| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 85.6 | Confident | 87.4 | Confident | 114 Ų | 114 | 87.2 Ų | 87.2 | 56% | 0.562 | 45% | 0.446 | S | S | * | . | 0 | -102 | 0 | -65.9 | -175.8 | 173.1 | 0 | 0 | 111.9 | K3 H4 G5 E6 D7 C13 | M1-K3 PolarHBondContact O-N 3.19Å; M1-H4 CarbonylContact O-C 3.38Å; M1-H4 WeakPolarHBondContact O-CA 2.99Å; M1-H4 PolarHBondContact O-N 3.14Å; M1-G5 PolarHBondContact O-N 2.85Å; M1-E6 WeakPolarHBondContact CA-OE2 3.36Å; M1-E6 HydrophobicContact CG-CB 4.26Å; M1-E6 PolarHBondContact N-OE2 2.77Å; M1-E6 PolarHBondContact O-N 3.41Å; M1-D7 HydrophobicContact CB-CB 4.21Å; M1-C13 PolarHBondContact SD-SG 2.85Å | |||
| 2 | A | 88.7 | Confident | 87.8 | Confident | 22 Ų | 22 | 90.6 Ų | 90.6 | 18% | 0.182 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -54 | -44.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | H4 G5 D7 L55 I58 | A2-H4 PolarHBondContact O-N 2.71Å; A2-H4 VanDerWaalsContact O-N 3.1Å; A2-G5 PolarHBondContact O-N 3.34Å; A2-G5 VanDerWaalsContact O-N 3.16Å; A2-D7 HydrophobicContact CB-CB 4.4Å; A2-L55 HydrophobicContact CB-CD1 3.72Å; A2-I58 HydrophobicContact CB-CG2 4.33Å |
| 3 | K | 87.3 | Confident | 88 | Confident | 129 Ų | 129 | 85.5 Ų | 85.5 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -61.7 | -13.7 | 173.9 | -73.2 | -177.7 | 170.3 | 169.2 | 0 | 114.7 | M1 E54 I58 | M1-K3 PolarHBondContact O-N 3.19Å; K3-E54 VanDerWaalsContact CE-OE1 3.23Å; K3-E54 WeakPolarHBondContact CE-OE1 3.42Å; K3-E54 WeakPolarHBondContact CE-OE2 3.49Å; K3-E54 IonicContact NZ-OE1 3.6Å; K3-E54 PolarHBondContact NZ-OE1 2.96Å; K3-E54 IonicContact NZ-OE2 3.65Å; K3-E54 PolarHBondContact NZ-OE2 3.48Å; K3-I58 HydrophobicContact CD-CD1 4.27Å; K3-I58 HydrophobicContact CG-CD1 3.46Å; K3-I58 VanDerWaalsContact CG-CD1 3.46Å; K3-I58 HydrophobicContact CG-CG1 4.41Å |
| 4 | H | 88.9 | Confident | 88 | Confident | 145 Ų | 145 | 83.7 Ų | 83.7 | 67% | 0.671 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -118.3 | 3.6 | 179.7 | -51.1 | -41.9 | 0 | 0 | 0 | 112.6 | M1 A2 E6 | M1-H4 CarbonylContact O-C 3.38Å; M1-H4 WeakPolarHBondContact O-CA 2.99Å; M1-H4 PolarHBondContact O-N 3.14Å; A2-H4 PolarHBondContact O-N 2.71Å; A2-H4 VanDerWaalsContact O-N 3.1Å; H4-E6 HydrophobicContact CB-CG 3.92Å; H4-E6 IonicContact CD2-OE2 3.87Å; H4-E6 PolarHBondContact O-N 3.19Å |
| 5 | G | 84.8 | Confident | 88.2 | Confident | 37 Ų | 37 | 88.2 Ų | 88.2 | 38% | 0.381 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -6.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | M1 A2 D7 V8 | M1-G5 PolarHBondContact O-N 2.85Å; A2-G5 PolarHBondContact O-N 3.34Å; A2-G5 VanDerWaalsContact O-N 3.16Å; G5-D7 PolarHBondContact O-N 3.27Å; G5-D7 VanDerWaalsContact O-N 3.15Å; G5-V8 PolarHBondContact O-N 3Å |
| 6 | E | 89.1 | Confident | 88.5 | Confident | 94 Ų | 94 | 89.6 Ų | 89.6 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -69 | -14.3 | -173.8 | -45.6 | 154.4 | 125.9 | 0 | 0 | 113.3 | M1 H4 V8 H9 | M1-E6 WeakPolarHBondContact CA-OE2 3.36Å; M1-E6 HydrophobicContact CG-CB 4.26Å; M1-E6 PolarHBondContact N-OE2 2.77Å; M1-E6 PolarHBondContact O-N 3.41Å; H4-E6 HydrophobicContact CB-CG 3.92Å; H4-E6 IonicContact CD2-OE2 3.87Å; H4-E6 PolarHBondContact O-N 3.19Å; E6-V8 PolarHBondContact O-N 2.62Å; E6-H9 PolarHBondContact O-N 3.38Å; E6-H9 VanDerWaalsContact O-N 3.09Å |
| 7 | D | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -63.7 | -28 | -178.9 | 67.8 | -54.1 | 0 | 0 | 0 | 112.7 | M1 A2 G5 H9 S10 C13 Y17 K59 | M1-D7 HydrophobicContact CB-CB 4.21Å; A2-D7 HydrophobicContact CB-CB 4.4Å; G5-D7 PolarHBondContact O-N 3.27Å; G5-D7 VanDerWaalsContact O-N 3.15Å; D7-H9 PolarHBondContact O-N 2.98Å; D7-S10 PolarHBondContact O-N 3.14Å; D7-C13 HydrophobicContact CB-CB 4.35Å; D7-Y17 HydrophobicContact CB-CE2 4.34Å; D7-Y17 WeakPolarHBondContact CB-OH 3.5Å; D7-Y17 WeakPolarHBondContact OD2-CE2 3.46Å; D7-Y17 PolarHBondContact OD2-OH 2.68Å; D7-Y17 VanDerWaalsContact OD2-OH 3.09Å; D7-K59 VanDerWaalsContact CG-NZ 3.35Å; D7-K59 IonicContact OD1-NZ 3.76Å; D7-K59 PolarHBondContact OD1-NZ 3.5Å; D7-K59 VanDerWaalsContact OD2-CE 3.27Å; D7-K59 WeakPolarHBondContact OD2-CE 3.34Å; D7-K59 IonicContact OD2-NZ 3.41Å; D7-K59 PolarHBondContact OD2-NZ 2.92Å |
| 8 | V | 83.3 | Confident | 88.6 | Confident | 83 Ų | 83 | 83.8 Ų | 83.8 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -67 | -22.7 | 176 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | G5 E6 | G5-V8 PolarHBondContact O-N 3Å; E6-V8 PolarHBondContact O-N 2.62Å |
| 9 | H | 86 | Confident | 88.5 | Confident | 169 Ų | 169 | 84.1 Ų | 84.1 | 78% | 0.782 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -94.8 | -7.5 | 177.6 | -56.6 | -50.4 | 0 | 0 | 0 | 113.3 | E6 D7 | E6-H9 PolarHBondContact O-N 3.38Å; E6-H9 VanDerWaalsContact O-N 3.09Å; D7-H9 PolarHBondContact O-N 2.98Å |
| 10 | S | 90.9 | Very high | 88.6 | Confident | 23 Ų | 23 | 81.2 Ų | 81.2 | 16% | 0.161 | 42% | 0.418 | C | S | . | . | trans | -100.9 | 103 | -178.7 | 177 | 0 | 0 | 0 | 0 | 110.7 | D7 D12 C13 L14 | D7-S10 PolarHBondContact O-N 3.14Å; S10-D12 PolarHBondContact O-N 2.92Å; S10-C13 WeakPolarHBondContact O-CB 3.39Å; S10-C13 PolarHBondContact O-N 3.21Å; S10-C13 PolarHBondContact OG-N 3.34Å; S10-C13 PolarHBondContact OG-SG 2.87Å; S10-L14 PolarHBondContact O-N 3.18Å | ||
| 11 | Q | 88.1 | Confident | 88.8 | Confident | 143 Ų | 143 | 78 Ų | 78 | 67% | 0.668 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58.4 | -34 | 177.4 | -170.6 | 64.6 | 15.6 | 0 | 0 | 111.9 | L14 R15 | Q11-L14 PolarHBondContact O-N 3.26Å; Q11-R15 VanDerWaalsContact O-CB 3.23Å; Q11-R15 WeakPolarHBondContact O-CB 3.19Å; Q11-R15 PolarHBondContact O-N 2.82Å |
| 12 | D | 91.9 | Very high | 89.1 | Confident | 128 Ų | 128 | 73.1 Ų | 73.1 | 68% | 0.684 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.8 | -32.2 | 175.1 | -66.2 | -49.5 | 0 | 0 | 0 | 112.5 | S10 F16 | S10-D12 PolarHBondContact O-N 2.92Å; D12-F16 WeakPolarHBondContact O-CB 3.48Å; D12-F16 PolarHBondContact O-N 3.08Å |
| 13 | C | 90.3 | Very high | 89.2 | Confident | 25 Ų | 25 | 74 Ų | 74 | 17% | 0.169 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.7 | -44.5 | 172.2 | -68.3 | 0 | 0 | 0 | 0 | 112 | M1 D7 S10 R15 F16 Y17 | M1-C13 PolarHBondContact SD-SG 2.85Å; D7-C13 HydrophobicContact CB-CB 4.35Å; S10-C13 WeakPolarHBondContact O-CB 3.39Å; S10-C13 PolarHBondContact O-N 3.21Å; S10-C13 PolarHBondContact OG-N 3.34Å; S10-C13 PolarHBondContact OG-SG 2.87Å; C13-R15 VanDerWaalsContact C-N 3.27Å; C13-R15 PolarHBondContact O-N 3.03Å; C13-F16 PolarHBondContact O-N 3.13Å; C13-Y17 WeakPolarHBondContact O-CD2 3.19Å; C13-Y17 PolarHBondContact O-N 3.23Å |
| 14 | L | 88.2 | Confident | 89.6 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 175.7 | -63.7 | 177.8 | 0 | 0 | 0 | 111.5 | S10 Q11 Y17 S18 | S10-L14 PolarHBondContact O-N 3.18Å; Q11-L14 PolarHBondContact O-N 3.26Å; L14-Y17 HydrophobicContact CD2-CD2 4.49Å; L14-Y17 PolarHBondContact O-N 3.34Å; L14-S18 PolarHBondContact O-N 3.5Å; L14-S18 VanDerWaalsContact O-N 3.11Å; L14-S18 PolarHBondContact O-OG 3.47Å |
| 15 | R | 90.4 | Very high | 89.9 | Confident | 151 Ų | 151 | 64.5 Ų | 64.5 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -69.9 | -40 | 173.5 | -169 | 177.9 | -177.2 | -169.2 | -0.7 | 112.7 | Q11 C13 Y17 S18 D19 | Q11-R15 VanDerWaalsContact O-CB 3.23Å; Q11-R15 WeakPolarHBondContact O-CB 3.19Å; Q11-R15 PolarHBondContact O-N 2.82Å; C13-R15 VanDerWaalsContact C-N 3.27Å; C13-R15 PolarHBondContact O-N 3.03Å; R15-Y17 VanDerWaalsContact C-N 3.3Å; R15-Y17 PolarHBondContact O-N 3.09Å; R15-S18 WeakPolarHBondContact CA-OG 3.45Å; R15-S18 PolarHBondContact O-N 2.69Å; R15-S18 PolarHBondContact O-OG 3.15Å; R15-D19 HydrophobicContact CG-CB 4.39Å; R15-D19 VanDerWaalsContact CG-OD2 3.32Å; R15-D19 WeakPolarHBondContact CG-OD2 3.35Å; R15-D19 IonicContact CZ-OD2 2.71Å; R15-D19 IonicContact NE-OD2 3.22Å; R15-D19 PolarHBondContact NE-OD2 2.98Å; R15-D19 IonicContact NH2-OD2 3.97Å; R15-D19 PolarHBondContact NH2-OD2 3.25Å; R15-D19 WeakPolarHBondContact O-CB 3.37Å; R15-D19 PolarHBondContact O-N 3.25Å |
| 16 | F | 93.7 | Very high | 90.2 | Very high | 110 Ų | 110 | 66.2 Ų | 66.2 | 48% | 0.482 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -60 | -41.7 | 173.1 | 172.4 | -105.6 | 0 | 0 | 0 | 111.2 | D12 C13 G20 L21 | D12-F16 WeakPolarHBondContact O-CB 3.48Å; D12-F16 PolarHBondContact O-N 3.08Å; C13-F16 PolarHBondContact O-N 3.13Å; F16-G20 PolarHBondContact O-N 3Å; F16-G20 VanDerWaalsContact O-N 3.15Å; F16-L21 HydrophobicContact CD1-CB 4.45Å; F16-L21 HydrophobicContact CE1-CB 4.09Å; F16-L21 HydrophobicContact CE1-CD1 4.02Å; F16-L21 HydrophobicContact CE1-CD2 4.26Å; F16-L21 HydrophobicContact CE1-CG 4.37Å; F16-L21 HydrophobicContact CZ-CB 4.17Å; F16-L21 HydrophobicContact CZ-CD1 3.94Å; F16-L21 VanDerWaalsContact O-CB 3.31Å; F16-L21 WeakPolarHBondContact O-CB 3.42Å; F16-L21 PolarHBondContact O-N 3.42Å |
| 17 | Y | 92.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -63.8 | -43.8 | 176.1 | -59.6 | -25 | 0 | 0 | 0 | 112.5 | D7 C13 L14 R15 L21 I22 L55 I67 | D7-Y17 HydrophobicContact CB-CE2 4.34Å; D7-Y17 WeakPolarHBondContact CB-OH 3.5Å; D7-Y17 WeakPolarHBondContact OD2-CE2 3.46Å; D7-Y17 PolarHBondContact OD2-OH 2.68Å; D7-Y17 VanDerWaalsContact OD2-OH 3.09Å; C13-Y17 WeakPolarHBondContact O-CD2 3.19Å; C13-Y17 PolarHBondContact O-N 3.23Å; L14-Y17 HydrophobicContact CD2-CD2 4.49Å; L14-Y17 PolarHBondContact O-N 3.34Å; R15-Y17 VanDerWaalsContact C-N 3.3Å; R15-Y17 PolarHBondContact O-N 3.09Å; Y17-L21 HydrophobicContact CD1-CD2 3.9Å; Y17-I22 WeakPolarHBondContact O-CG1 3.3Å; Y17-L55 HydrophobicContact CD1-CD2 4.19Å; Y17-L55 HydrophobicContact CE1-CD1 4.25Å; Y17-L55 HydrophobicContact CE1-CD2 3.7Å; Y17-I67 HydrophobicContact CD1-CD1 4.14Å; Y17-I67 HydrophobicContact CD2-CD1 4.34Å; Y17-I67 HydrophobicContact CG-CD1 4.05Å |
| 18 | S | 85.9 | Confident | 90.6 | Very high | 63 Ų | 63 | 69 Ų | 69 | 44% | 0.441 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -76.3 | -53.5 | -178 | 41.5 | 0 | 0 | 0 | 0 | 113.7 | L14 R15 | L14-S18 PolarHBondContact O-N 3.5Å; L14-S18 VanDerWaalsContact O-N 3.11Å; L14-S18 PolarHBondContact O-OG 3.47Å; R15-S18 WeakPolarHBondContact CA-OG 3.45Å; R15-S18 PolarHBondContact O-N 2.69Å; R15-S18 PolarHBondContact O-OG 3.15Å |
| 19 | D | 86.7 | Confident | 91.1 | Very high | 88 Ų | 88 | 65.1 Ų | 65.1 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | I | π-helix | trans | -85.4 | -48.6 | -171.2 | -62.3 | 4 | 0 | 0 | 0 | 111.9 | R15 S23 | R15-D19 HydrophobicContact CG-CB 4.39Å; R15-D19 VanDerWaalsContact CG-OD2 3.32Å; R15-D19 WeakPolarHBondContact CG-OD2 3.35Å; R15-D19 IonicContact CZ-OD2 2.71Å; R15-D19 IonicContact NE-OD2 3.22Å; R15-D19 PolarHBondContact NE-OD2 2.98Å; R15-D19 IonicContact NH2-OD2 3.97Å; R15-D19 PolarHBondContact NH2-OD2 3.25Å; R15-D19 WeakPolarHBondContact O-CB 3.37Å; R15-D19 PolarHBondContact O-N 3.25Å; D19-S23 VanDerWaalsContact O-CB 3.3Å; D19-S23 WeakPolarHBondContact O-CB 3.17Å |
| 20 | G | 90 | Very high | 91.4 | Very high | 26 Ų | 26 | 62 Ų | 62 | 27% | 0.268 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -90.8 | -52.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114 | F16 S24 | F16-G20 PolarHBondContact O-N 3Å; F16-G20 VanDerWaalsContact O-N 3.15Å; G20-S24 WeakPolarHBondContact O-CB 3.23Å; G20-S24 PolarHBondContact O-N 3.23Å; G20-S24 PolarHBondContact O-OG 3.02Å |
| 21 | L | 93.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 64.7 Ų | 64.7 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -65.2 | -50.7 | -173.2 | -173.4 | 62.7 | 0 | 0 | 0 | 110.8 | F16 Y17 S24 F25 L55 I67 L70 | F16-L21 HydrophobicContact CD1-CB 4.45Å; F16-L21 HydrophobicContact CE1-CB 4.09Å; F16-L21 HydrophobicContact CE1-CD1 4.02Å; F16-L21 HydrophobicContact CE1-CD2 4.26Å; F16-L21 HydrophobicContact CE1-CG 4.37Å; F16-L21 HydrophobicContact CZ-CB 4.17Å; F16-L21 HydrophobicContact CZ-CD1 3.94Å; F16-L21 VanDerWaalsContact O-CB 3.31Å; F16-L21 WeakPolarHBondContact O-CB 3.42Å; F16-L21 PolarHBondContact O-N 3.42Å; Y17-L21 HydrophobicContact CD1-CD2 3.9Å; L21-S24 PolarHBondContact O-N 3.29Å; L21-F25 HydrophobicContact CD1-CD2 3.71Å; L21-F25 HydrophobicContact CD1-CE2 3.59Å; L21-F25 HydrophobicContact CG-CD2 4.26Å; L21-F25 WeakPolarHBondContact O-CD2 3.35Å; L21-F25 PolarHBondContact O-N 2.8Å; L21-L55 HydrophobicContact CD2-CD2 3.77Å; L21-I67 HydrophobicContact CD2-CD1 4.2Å; L21-L70 HydrophobicContact CD2-CD2 3.82Å; L21-L70 HydrophobicContact CG-CD2 4.14Å |
| 22 | I | 91.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 179.8 | -62.5 | -65 | 0 | 0 | 0 | 111.8 | Y17 S24 F25 Q26 A66 E69 L70 I73 | Y17-I22 WeakPolarHBondContact O-CG1 3.3Å; I22-S24 PolarHBondContact O-N 3.26Å; I22-F25 PolarHBondContact O-N 3.16Å; I22-Q26 HydrophobicContact CG2-CG 4.02Å; I22-Q26 WeakPolarHBondContact O-CB 3.33Å; I22-Q26 VanDerWaalsContact O-CG 3.25Å; I22-Q26 WeakPolarHBondContact O-CG 3.38Å; I22-Q26 PolarHBondContact O-N 3.1Å; I22-A66 WeakPolarHBondContact CD1-O 3.22Å; I22-A66 HydrophobicContact CG1-CB 4.39Å; I22-E69 HydrophobicContact CD1-CB 4.2Å; I22-L70 HydrophobicContact CD1-CB 3.68Å; I22-L70 VanDerWaalsContact CD1-N 3.35Å; I22-I73 HydrophobicContact CD1-CD1 4.42Å; I22-I73 HydrophobicContact CG2-CD1 4.32Å |
| 23 | S | 92.2 | Very high | 91.4 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.2 | -32.4 | 176.9 | -166 | 0 | 0 | 0 | 0 | 112.6 | D19 K27 | D19-S23 VanDerWaalsContact O-CB 3.3Å; D19-S23 WeakPolarHBondContact O-CB 3.17Å; S23-K27 VanDerWaalsContact O-CD 3.28Å; S23-K27 WeakPolarHBondContact O-CD 3.37Å; S23-K27 VanDerWaalsContact O-CG 3.29Å; S23-K27 WeakPolarHBondContact O-CG 3.47Å; S23-K27 PolarHBondContact O-N 2.99Å; S23-K27 PolarHBondContact OG-NZ 2.87Å |
| 24 | S | 93.9 | Very high | 91.4 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 43% | 0.427 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.5 | -48.1 | 176.1 | -57 | 0 | 0 | 0 | 0 | 111.8 | G20 L21 I22 K27 I28 | G20-S24 WeakPolarHBondContact O-CB 3.23Å; G20-S24 PolarHBondContact O-N 3.23Å; G20-S24 PolarHBondContact O-OG 3.02Å; L21-S24 PolarHBondContact O-N 3.29Å; I22-S24 PolarHBondContact O-N 3.26Å; S24-K27 PolarHBondContact O-N 3.2Å; S24-I28 PolarHBondContact O-N 3.23Å |
| 25 | F | 95.3 | Very high | 91.2 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.5 | -38.8 | -179.6 | -88.2 | -87.7 | 0 | 0 | 0 | 112.8 | L21 I22 K27 I28 F29 L70 I73 L74 | L21-F25 HydrophobicContact CD1-CD2 3.71Å; L21-F25 HydrophobicContact CD1-CE2 3.59Å; L21-F25 HydrophobicContact CG-CD2 4.26Å; L21-F25 WeakPolarHBondContact O-CD2 3.35Å; L21-F25 PolarHBondContact O-N 2.8Å; I22-F25 PolarHBondContact O-N 3.16Å; F25-K27 VanDerWaalsContact C-N 3.3Å; F25-K27 PolarHBondContact O-N 3.46Å; F25-I28 HydrophobicContact CD1-CD1 4.11Å; F25-I28 HydrophobicContact CD1-CG1 4.41Å; F25-I28 HydrophobicContact CE1-CD1 4.17Å; F25-I28 HydrophobicContact CG-CD1 4.36Å; F25-I28 HydrophobicContact CZ-CD1 4.49Å; F25-I28 PolarHBondContact O-N 2.9Å; F25-F29 AromaticContact CD1-CD2 3.82Å; F25-F29 HydrophobicContact CD1-CD2 3.82Å; F25-F29 AromaticContact CD1-CE2 3.63Å; F25-F29 HydrophobicContact CD1-CE2 3.63Å; F25-F29 HydrophobicContact CE1-CD2 4.47Å; F25-F29 AromaticContact CE1-CE2 3.84Å; F25-F29 HydrophobicContact CE1-CE2 3.84Å; F25-F29 WeakPolarHBondContact O-CB 3.02Å; F25-F29 PolarHBondContact O-N 3.29Å; F25-L70 HydrophobicContact CB-CD1 3.58Å; F25-L70 HydrophobicContact CD1-CD1 3.74Å; F25-L70 HydrophobicContact CD2-CD1 3.66Å; F25-L70 HydrophobicContact CE1-CD1 4.37Å; F25-L70 HydrophobicContact CE2-CD1 4.3Å; F25-L70 HydrophobicContact CG-CD1 3.34Å; F25-I73 HydrophobicContact CB-CG2 4.31Å; F25-L74 HydrophobicContact CD1-CD2 3.74Å; F25-L74 HydrophobicContact CE1-CD2 3.66Å |
| 26 | Q | 91.6 | Very high | 91.1 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 35% | 0.346 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -54.4 | -45.9 | 171.5 | -74.5 | 176.8 | -7.5 | 0 | 0 | 111.3 | I22 R30 E69 I73 | I22-Q26 HydrophobicContact CG2-CG 4.02Å; I22-Q26 WeakPolarHBondContact O-CB 3.33Å; I22-Q26 VanDerWaalsContact O-CG 3.25Å; I22-Q26 WeakPolarHBondContact O-CG 3.38Å; I22-Q26 PolarHBondContact O-N 3.1Å; Q26-R30 WeakPolarHBondContact O-CA 3.41Å; Q26-R30 WeakPolarHBondContact O-CB 3.27Å; Q26-R30 PolarHBondContact O-N 2.86Å; Q26-E69 PolarHBondContact NE2-OE1 2.89Å; Q26-I73 HydrophobicContact CG-CD1 3.54Å; Q26-I73 HydrophobicContact CG-CG1 4.43Å |
| 27 | K | 92.7 | Very high | 90.9 | Very high | 114 Ų | 114 | 57.3 Ų | 57.3 | 50% | 0.496 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.3 | -51 | 178.4 | -71.9 | 165 | -175.2 | 144.5 | 0 | 112.3 | S23 S24 F25 F29 D31 | S23-K27 VanDerWaalsContact O-CD 3.28Å; S23-K27 WeakPolarHBondContact O-CD 3.37Å; S23-K27 VanDerWaalsContact O-CG 3.29Å; S23-K27 WeakPolarHBondContact O-CG 3.47Å; S23-K27 PolarHBondContact O-N 2.99Å; S23-K27 PolarHBondContact OG-NZ 2.87Å; S24-K27 PolarHBondContact O-N 3.2Å; F25-K27 VanDerWaalsContact C-N 3.3Å; F25-K27 PolarHBondContact O-N 3.46Å; K27-F29 VanDerWaalsContact C-N 3.29Å; K27-F29 PolarHBondContact O-N 2.78Å; K27-D31 WeakPolarHBondContact O-CB 3.03Å; K27-D31 PolarHBondContact O-N 3.08Å |
| 28 | I | 94 | Very high | 90.7 | Very high | 39 Ų | 39 | 61.2 Ų | 61.2 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77.3 | -10.3 | -174.3 | 73.2 | -162.6 | 0 | 0 | 0 | 114.3 | S24 F25 V34 W37 I45 | S24-I28 PolarHBondContact O-N 3.23Å; F25-I28 HydrophobicContact CD1-CD1 4.11Å; F25-I28 HydrophobicContact CD1-CG1 4.41Å; F25-I28 HydrophobicContact CE1-CD1 4.17Å; F25-I28 HydrophobicContact CG-CD1 4.36Å; F25-I28 HydrophobicContact CZ-CD1 4.49Å; F25-I28 PolarHBondContact O-N 2.9Å; I28-V34 VanDerWaalsContact O-CG2 3.32Å; I28-V34 WeakPolarHBondContact O-CG2 3.49Å; I28-W37 HydrophobicContact CB-CH2 4.49Å; I28-W37 HydrophobicContact CB-CZ3 4.07Å; I28-W37 HydrophobicContact CG2-CH2 4.16Å; I28-W37 HydrophobicContact CG2-CZ3 4.05Å; I28-I45 HydrophobicContact CB-CD1 4.04Å; I28-I45 HydrophobicContact CB-CG1 4.1Å; I28-I45 HydrophobicContact CB-CG2 4.22Å; I28-I45 HydrophobicContact CD1-CG1 4.36Å; I28-I45 HydrophobicContact CD1-CG2 4.02Å; I28-I45 HydrophobicContact CG1-CG1 4.48Å; I28-I45 HydrophobicContact CG1-CG2 3.9Å; I28-I45 HydrophobicContact CG2-CD1 4.47Å; I28-I45 HydrophobicContact CG2-CG1 4.47Å |
| 29 | F | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -105.5 | -32.3 | 173.1 | -84 | -107.7 | 0 | 0 | 0 | 114.7 | F25 K27 I45 S49 I73 L74 S79 Q80 F81 H82 F175 | F25-F29 AromaticContact CD1-CD2 3.82Å; F25-F29 HydrophobicContact CD1-CD2 3.82Å; F25-F29 AromaticContact CD1-CE2 3.63Å; F25-F29 HydrophobicContact CD1-CE2 3.63Å; F25-F29 HydrophobicContact CE1-CD2 4.47Å; F25-F29 AromaticContact CE1-CE2 3.84Å; F25-F29 HydrophobicContact CE1-CE2 3.84Å; F25-F29 WeakPolarHBondContact O-CB 3.02Å; F25-F29 PolarHBondContact O-N 3.29Å; K27-F29 VanDerWaalsContact C-N 3.29Å; K27-F29 PolarHBondContact O-N 2.78Å; F29-I45 HydrophobicContact CE2-CG2 3.98Å; F29-S49 WeakPolarHBondContact CE2-OG 3.37Å; F29-S49 WeakPolarHBondContact CZ-OG 2.86Å; F29-I73 HydrophobicContact CB-CG2 3.55Å; F29-I73 HydrophobicContact CD1-CG2 4.32Å; F29-I73 HydrophobicContact CD2-CG2 4.26Å; F29-I73 HydrophobicContact CG-CG2 3.79Å; F29-L74 HydrophobicContact CE1-CD2 4.05Å; F29-L74 HydrophobicContact CE2-CD2 3.79Å; F29-L74 HydrophobicContact CZ-CD2 3.49Å; F29-L74 VanDerWaalsContact CZ-CD2 3.49Å; F29-S79 WeakPolarHBondContact O-CB 3.47Å; F29-Q80 WeakPolarHBondContact O-CA 3.46Å; F29-Q80 WeakPolarHBondContact O-CB 3.5Å; F29-Q80 PolarHBondContact O-N 2.87Å; F29-F81 HydrophobicContact CB-CB 4.42Å; F29-F81 HydrophobicContact CD1-CB 3.85Å; F29-F81 HydrophobicContact CD1-CD1 4.02Å; F29-F81 HydrophobicContact CD1-CG 4.25Å; F29-F81 HydrophobicContact CE1-CB 4.15Å; F29-F81 AromaticContact CE1-CD1 3.42Å; F29-F81 HydrophobicContact CE1-CD1 3.42Å; F29-F81 VanDerWaalsContact CE1-CD1 3.42Å; F29-F81 HydrophobicContact CE1-CE1 4.14Å; F29-F81 HydrophobicContact CE1-CG 4.05Å; F29-F81 HydrophobicContact CE2-CD1 4.33Å; F29-F81 HydrophobicContact CE2-CG 4.5Å; F29-F81 HydrophobicContact CG-CB 4.04Å; F29-F81 AromaticContact CZ-CD1 3.58Å; F29-F81 HydrophobicContact CZ-CD1 3.58Å; F29-F81 AromaticContact CZ-CE1 3.95Å; F29-F81 HydrophobicContact CZ-CE1 3.95Å; F29-F81 HydrophobicContact CZ-CG 4.16Å; F29-F81 PolarHBondContact O-N 3.05Å; F29-H82 AromaticContact CE1-NE2 3.99Å; F29-F175 HydrophobicContact CE1-CE2 4.16Å; F29-F175 HydrophobicContact CZ-CE2 4.05Å; F29-F175 HydrophobicContact CZ-CZ 4.38Å |
| 30 | R | 91.8 | Very high | 90.7 | Very high | 105 Ų | 105 | 57.8 Ų | 57.8 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -119.2 | -5.9 | -169.3 | -63.8 | -176.3 | 164.3 | 151.1 | 1.9 | 115.6 | Q26 S72 D76 | Q26-R30 WeakPolarHBondContact O-CA 3.41Å; Q26-R30 WeakPolarHBondContact O-CB 3.27Å; Q26-R30 PolarHBondContact O-N 2.86Å; R30-S72 PolarHBondContact NH2-O 3.09Å; R30-S72 VanDerWaalsContact NH2-O 3.15Å; R30-D76 IonicContact CZ-OD2 3.54Å; R30-D76 IonicContact NE-OD2 3.52Å; R30-D76 IonicContact NH2-OD2 2.64Å; R30-D76 PolarHBondContact NH2-OD2 3.13Å |
| 31 | D | 90.8 | Very high | 90.6 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | trans | -74.9 | 134.9 | 173.9 | -166.6 | -57.1 | 0 | 0 | 0 | 110.8 | K27 A33 V34 | K27-D31 WeakPolarHBondContact O-CB 3.03Å; K27-D31 PolarHBondContact O-N 3.08Å; D31-A33 PolarHBondContact O-N 3.33Å; D31-A33 VanDerWaalsContact O-N 3.13Å; D31-A33 WeakPolarHBondContact OD1-CB 3.37Å; D31-A33 PolarHBondContact OD1-N 3.46Å; D31-V34 HydrophobicContact CB-CG2 4.29Å; D31-V34 VanDerWaalsContact O-CB 3.26Å; D31-V34 WeakPolarHBondContact O-CB 3.12Å; D31-V34 WeakPolarHBondContact O-CG2 3.35Å; D31-V34 PolarHBondContact O-N 3.46Å | ||
| 32 | D | 89.3 | Confident | 90.5 | Very high | 103 Ų | 103 | 58.7 Ų | 58.7 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -59.8 | -24.7 | 179.2 | -65.7 | -26.8 | 0 | 0 | 0 | 112.7 | V34 T35 Q80 | D32-V34 PolarHBondContact O-N 3.41Å; D32-T35 WeakPolarHBondContact O-CB 3.41Å; D32-T35 PolarHBondContact O-N 3.44Å; D32-T35 PolarHBondContact O-OG1 2.94Å; D32-Q80 PolarHBondContact OD1-NE2 3.39Å |
| 33 | A | 90.7 | Very high | 90.3 | Very high | 34 Ų | 34 | 58.6 Ų | 58.6 | 28% | 0.281 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -62.1 | -26.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | D31 T35 R36 W37 | D31-A33 PolarHBondContact O-N 3.33Å; D31-A33 VanDerWaalsContact O-N 3.13Å; D31-A33 WeakPolarHBondContact OD1-CB 3.37Å; D31-A33 PolarHBondContact OD1-N 3.46Å; A33-T35 PolarHBondContact O-N 3.49Å; A33-R36 WeakPolarHBondContact O-CB 3.21Å; A33-R36 PolarHBondContact O-N 2.83Å; A33-W37 HydrophobicContact CB-CZ2 4.22Å; A33-W37 PolarHBondContact O-N 3.23Å; A33-W37 PolarHBondContact O-NE1 3Å |
| 34 | V | 89.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -55.3 | -36.7 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | I28 D31 D32 R36 W37 L42 Q80 F81 | I28-V34 VanDerWaalsContact O-CG2 3.32Å; I28-V34 WeakPolarHBondContact O-CG2 3.49Å; D31-V34 HydrophobicContact CB-CG2 4.29Å; D31-V34 VanDerWaalsContact O-CB 3.26Å; D31-V34 WeakPolarHBondContact O-CB 3.12Å; D31-V34 WeakPolarHBondContact O-CG2 3.35Å; D31-V34 PolarHBondContact O-N 3.46Å; D32-V34 PolarHBondContact O-N 3.41Å; V34-R36 PolarHBondContact O-N 2.78Å; V34-R36 VanDerWaalsContact O-N 3.08Å; V34-W37 HydrophobicContact CB-CE3 4.25Å; V34-W37 HydrophobicContact CB-CZ3 4.33Å; V34-W37 HydrophobicContact CG1-CE3 4.28Å; V34-W37 HydrophobicContact CG2-CE3 4.01Å; V34-W37 HydrophobicContact CG2-CH2 3.81Å; V34-W37 HydrophobicContact CG2-CZ2 4.41Å; V34-W37 HydrophobicContact CG2-CZ3 3.59Å; V34-W37 PolarHBondContact O-N 2.95Å; V34-L42 HydrophobicContact CG1-CD2 4.02Å; V34-Q80 HydrophobicContact CB-CB 4.13Å; V34-F81 HydrophobicContact CG1-CB 3.99Å; V34-F81 HydrophobicContact CG1-CD2 4.31Å |
| 35 | T | 84.8 | Confident | 90 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 32% | 0.319 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -61.8 | -17.9 | 177.9 | 69.3 | 0 | 0 | 0 | 0 | 113.8 | D32 A33 Q80 R84 | D32-T35 WeakPolarHBondContact O-CB 3.41Å; D32-T35 PolarHBondContact O-N 3.44Å; D32-T35 PolarHBondContact O-OG1 2.94Å; A33-T35 PolarHBondContact O-N 3.49Å; T35-Q80 HydrophobicContact CG2-CB 4.17Å; T35-Q80 HydrophobicContact CG2-CG 4.45Å; T35-R84 WeakPolarHBondContact O-CD 3.44Å; T35-R84 PolarHBondContact O-NE 2.76Å |
| 36 | R | 87.5 | Confident | 89.8 | Confident | 203 Ų | 203 | 58.1 Ų | 58.1 | 77% | 0.766 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -107.3 | -5.6 | -177.3 | -53.1 | -177.8 | -173.3 | 170.2 | 3.7 | 113.4 | A33 V34 | A33-R36 WeakPolarHBondContact O-CB 3.21Å; A33-R36 PolarHBondContact O-N 2.83Å; V34-R36 PolarHBondContact O-N 2.78Å; V34-R36 VanDerWaalsContact O-N 3.08Å |
| 37 | W | 90 | Very high | 89.6 | Confident | 70 Ų | 70 | 54.9 Ų | 54.9 | 27% | 0.265 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -76.6 | 145.6 | -177.7 | -66.2 | -12.8 | 0 | 0 | 0 | 112.3 | I28 A33 V34 I41 L42 I45 R84 | I28-W37 HydrophobicContact CB-CH2 4.49Å; I28-W37 HydrophobicContact CB-CZ3 4.07Å; I28-W37 HydrophobicContact CG2-CH2 4.16Å; I28-W37 HydrophobicContact CG2-CZ3 4.05Å; A33-W37 HydrophobicContact CB-CZ2 4.22Å; A33-W37 PolarHBondContact O-N 3.23Å; A33-W37 PolarHBondContact O-NE1 3Å; V34-W37 HydrophobicContact CB-CE3 4.25Å; V34-W37 HydrophobicContact CB-CZ3 4.33Å; V34-W37 HydrophobicContact CG1-CE3 4.28Å; V34-W37 HydrophobicContact CG2-CE3 4.01Å; V34-W37 HydrophobicContact CG2-CH2 3.81Å; V34-W37 HydrophobicContact CG2-CZ2 4.41Å; V34-W37 HydrophobicContact CG2-CZ3 3.59Å; V34-W37 PolarHBondContact O-N 2.95Å; W37-I41 HydrophobicContact CB-CB 4.29Å; W37-I41 HydrophobicContact CB-CD1 4.2Å; W37-I41 HydrophobicContact CB-CG2 4.36Å; W37-I41 HydrophobicContact CD2-CG2 4.28Å; W37-I41 HydrophobicContact CE3-CG2 4.02Å; W37-I41 HydrophobicContact CG-CD1 4.38Å; W37-I41 HydrophobicContact CG-CG2 4.45Å; W37-L42 HydrophobicContact CB-CD2 4.38Å; W37-L42 HydrophobicContact CB-CG 4.39Å; W37-L42 WeakPolarHBondContact O-CD1 3.3Å; W37-I45 HydrophobicContact CE3-CD1 3.5Å; W37-I45 VanDerWaalsContact CE3-CD1 3.5Å; W37-I45 HydrophobicContact CZ3-CD1 3.49Å; W37-I45 VanDerWaalsContact CZ3-CD1 3.49Å; W37-R84 PolarHBondContact O-NE 2.9Å; W37-R84 PolarHBondContact O-NH2 3.41Å |
| 38 | D | 89 | Confident | 89.5 | Confident | 94 Ų | 94 | 53.1 Ų | 53.1 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | trans | -66.9 | 151.2 | 177.6 | -65.7 | -36.1 | 0 | 0 | 0 | 111.8 | H40 I41 L42 | D38-H40 VanDerWaalsContact CB-ND1 3.3Å; D38-H40 WeakPolarHBondContact CB-ND1 3.41Å; D38-H40 PolarHBondContact O-N 3.01Å; D38-H40 IonicContact OD2-CE1 2.77Å; D38-H40 PolarHBondContact OD2-CE1 2.98Å; D38-H40 IonicContact OD2-ND1 2.68Å; D38-I41 WeakPolarHBondContact O-CB 3.49Å; D38-I41 PolarHBondContact O-N 3.25Å; D38-L42 PolarHBondContact O-N 2.89Å; D38-L42 VanDerWaalsContact O-N 3.15Å | ||
| 39 | S | 86.3 | Confident | 89.5 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.6 | -30.1 | 178.9 | -38.3 | 0 | 0 | 0 | 0 | 113.5 | L42 H43 E94 | S39-L42 PolarHBondContact O-N 3.46Å; S39-H43 WeakPolarHBondContact O-CB 3.27Å; S39-H43 PolarHBondContact O-N 3Å; S39-E94 WeakPolarHBondContact CB-OE2 3.23Å; S39-E94 PolarHBondContact OG-OE2 2.92Å |
| 40 | H | 85.4 | Confident | 89.4 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 31% | 0.306 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.8 | -36.2 | 176.9 | 80.4 | -92.9 | 0 | 0 | 0 | 112.9 | D38 F44 | D38-H40 VanDerWaalsContact CB-ND1 3.3Å; D38-H40 WeakPolarHBondContact CB-ND1 3.41Å; D38-H40 PolarHBondContact O-N 3.01Å; D38-H40 IonicContact OD2-CE1 2.77Å; D38-H40 PolarHBondContact OD2-CE1 2.98Å; D38-H40 IonicContact OD2-ND1 2.68Å; H40-F44 WeakPolarHBondContact O-CD2 3.37Å; H40-F44 PolarHBondContact O-N 3.4Å |
| 41 | I | 88.7 | Confident | 89.3 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.6 | -43.5 | 174.2 | -55.7 | 177.4 | 0 | 0 | 0 | 108.9 | W37 D38 H43 F44 I45 | W37-I41 HydrophobicContact CB-CB 4.29Å; W37-I41 HydrophobicContact CB-CD1 4.2Å; W37-I41 HydrophobicContact CB-CG2 4.36Å; W37-I41 HydrophobicContact CD2-CG2 4.28Å; W37-I41 HydrophobicContact CE3-CG2 4.02Å; W37-I41 HydrophobicContact CG-CD1 4.38Å; W37-I41 HydrophobicContact CG-CG2 4.45Å; D38-I41 WeakPolarHBondContact O-CB 3.49Å; D38-I41 PolarHBondContact O-N 3.25Å; I41-H43 VanDerWaalsContact C-N 3.31Å; I41-H43 PolarHBondContact O-N 2.71Å; I41-F44 PolarHBondContact O-N 2.88Å; I41-F44 VanDerWaalsContact O-N 3.13Å; I41-I45 HydrophobicContact CG2-CD1 4.01Å; I41-I45 WeakPolarHBondContact O-CG1 3.17Å; I41-I45 PolarHBondContact O-N 3.44Å |
| 42 | L | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -32.8 | 178.6 | -61.4 | 167.7 | 0 | 0 | 0 | 112.1 | V34 W37 D38 S39 I45 Y46 F81 R84 I95 | V34-L42 HydrophobicContact CG1-CD2 4.02Å; W37-L42 HydrophobicContact CB-CD2 4.38Å; W37-L42 HydrophobicContact CB-CG 4.39Å; W37-L42 WeakPolarHBondContact O-CD1 3.3Å; D38-L42 PolarHBondContact O-N 2.89Å; D38-L42 VanDerWaalsContact O-N 3.15Å; S39-L42 PolarHBondContact O-N 3.46Å; L42-I45 HydrophobicContact CD2-CD1 4.24Å; L42-I45 PolarHBondContact O-N 3.48Å; L42-Y46 WeakPolarHBondContact O-CB 3.44Å; L42-Y46 PolarHBondContact O-N 3.43Å; L42-F81 HydrophobicContact CB-CE2 4.2Å; L42-F81 HydrophobicContact CD2-CD2 3.73Å; L42-F81 HydrophobicContact CD2-CE2 3.84Å; L42-R84 HydrophobicContact CD1-CG 3.5Å; L42-R84 VanDerWaalsContact CD1-CG 3.5Å; L42-R84 HydrophobicContact CD2-CG 4.17Å; L42-I95 HydrophobicContact CB-CD1 3.85Å; L42-I95 HydrophobicContact CB-CG1 3.6Å; L42-I95 HydrophobicContact CD1-CD1 4.05Å; L42-I95 HydrophobicContact CD1-CG1 4.45Å |
| 43 | H | 89 | Confident | 89.7 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 169.3 | 177.3 | 65.8 | 0 | 0 | 0 | 112.2 | S39 I41 I45 Y46 A47 I95 R96 G98 N102 V104 | S39-H43 WeakPolarHBondContact O-CB 3.27Å; S39-H43 PolarHBondContact O-N 3Å; I41-H43 VanDerWaalsContact C-N 3.31Å; I41-H43 PolarHBondContact O-N 2.71Å; H43-I45 VanDerWaalsContact C-N 3.32Å; H43-I45 PolarHBondContact O-N 3.22Å; H43-Y46 PolarHBondContact O-N 3.39Å; H43-A47 WeakPolarHBondContact O-CB 3.39Å; H43-A47 PolarHBondContact O-N 3.43Å; H43-I95 WeakPolarHBondContact CA-O 3.23Å; H43-I95 PolarHBondContact ND1-O 3.09Å; H43-R96 PolarHBondContact CE1-O 3.2Å; H43-R96 PolarHBondContact ND1-O 2.77Å; H43-G98 PolarHBondContact ND1-N 2.82Å; H43-N102 PolarHBondContact CD2-O 3.09Å; H43-V104 PolarHBondContact NE2-N 3.27Å |
| 44 | F | 88.2 | Confident | 89.8 | Confident | 87 Ų | 87 | 40.6 Ų | 40.6 | 38% | 0.382 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64 | -37.6 | 174.3 | -69.5 | -66.9 | 0 | 0 | 0 | 112 | H40 I41 N48 V104 | H40-F44 WeakPolarHBondContact O-CD2 3.37Å; H40-F44 PolarHBondContact O-N 3.4Å; I41-F44 PolarHBondContact O-N 2.88Å; I41-F44 VanDerWaalsContact O-N 3.13Å; F44-N48 PolarHBondContact O-N 3.27Å; F44-N48 PolarHBondContact O-ND2 2.98Å; F44-V104 HydrophobicContact CD1-CG2 3.65Å; F44-V104 HydrophobicContact CE1-CG2 3.41Å; F44-V104 VanDerWaalsContact CE1-CG2 3.41Å; F44-V104 HydrophobicContact CZ-CG2 4.46Å |
| 45 | I | 91.6 | Very high | 90.1 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -47.5 | 175.6 | -66.6 | 160 | 0 | 0 | 0 | 110.4 | I28 F29 W37 I41 L42 H43 A47 N48 S49 F81 | I28-I45 HydrophobicContact CB-CD1 4.04Å; I28-I45 HydrophobicContact CB-CG1 4.1Å; I28-I45 HydrophobicContact CB-CG2 4.22Å; I28-I45 HydrophobicContact CD1-CG1 4.36Å; I28-I45 HydrophobicContact CD1-CG2 4.02Å; I28-I45 HydrophobicContact CG1-CG1 4.48Å; I28-I45 HydrophobicContact CG1-CG2 3.9Å; I28-I45 HydrophobicContact CG2-CD1 4.47Å; I28-I45 HydrophobicContact CG2-CG1 4.47Å; F29-I45 HydrophobicContact CE2-CG2 3.98Å; W37-I45 HydrophobicContact CE3-CD1 3.5Å; W37-I45 VanDerWaalsContact CE3-CD1 3.5Å; W37-I45 HydrophobicContact CZ3-CD1 3.49Å; W37-I45 VanDerWaalsContact CZ3-CD1 3.49Å; I41-I45 HydrophobicContact CG2-CD1 4.01Å; I41-I45 WeakPolarHBondContact O-CG1 3.17Å; I41-I45 PolarHBondContact O-N 3.44Å; L42-I45 HydrophobicContact CD2-CD1 4.24Å; L42-I45 PolarHBondContact O-N 3.48Å; H43-I45 VanDerWaalsContact C-N 3.32Å; H43-I45 PolarHBondContact O-N 3.22Å; I45-A47 PolarHBondContact O-N 2.99Å; I45-N48 PolarHBondContact O-N 2.97Å; I45-S49 WeakPolarHBondContact O-CB 3.35Å; I45-S49 PolarHBondContact O-N 3.38Å; I45-S49 PolarHBondContact O-OG 2.98Å; I45-F81 HydrophobicContact CB-CD2 4.34Å; I45-F81 HydrophobicContact CB-CE2 3.83Å; I45-F81 HydrophobicContact CB-CZ 4.47Å; I45-F81 HydrophobicContact CG2-CD2 3.67Å; I45-F81 HydrophobicContact CG2-CE2 3.48Å; I45-F81 VanDerWaalsContact CG2-CE2 3.48Å; I45-F81 HydrophobicContact CG2-CG 4.34Å; I45-F81 HydrophobicContact CG2-CZ 3.98Å |
| 46 | Y | 90.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.1 | -51.6 | 174.2 | 174 | -109.2 | 0 | 0 | 0 | 111.8 | L42 H43 N48 S49 L50 I95 R96 I117 I171 D174 F175 | L42-Y46 WeakPolarHBondContact O-CB 3.44Å; L42-Y46 PolarHBondContact O-N 3.43Å; H43-Y46 PolarHBondContact O-N 3.39Å; Y46-N48 PolarHBondContact O-N 2.79Å; Y46-S49 CarbonylContact O-C 3.59Å; Y46-S49 WeakPolarHBondContact O-CA 3.45Å; Y46-S49 VanDerWaalsContact O-CB 3.27Å; Y46-S49 WeakPolarHBondContact O-CB 3.28Å; Y46-S49 PolarHBondContact O-N 2.79Å; Y46-L50 HydrophobicContact CD1-CD1 4.4Å; Y46-L50 HydrophobicContact CE1-CD1 3.85Å; Y46-L50 HydrophobicContact CE1-CG 4.36Å; Y46-L50 HydrophobicContact CE2-CD2 4.05Å; Y46-L50 HydrophobicContact CE2-CG 4.47Å; Y46-L50 WeakPolarHBondContact O-CG 3.28Å; Y46-L50 PolarHBondContact O-N 3.15Å; Y46-I95 WeakPolarHBondContact CD1-O 3.49Å; Y46-I95 HydrophobicContact CD2-CG2 4.42Å; Y46-I95 HydrophobicContact CG-CG2 3.96Å; Y46-R96 HydrophobicContact CE1-CB 4.45Å; Y46-R96 HydrophobicContact CE1-CG 4.21Å; Y46-I117 WeakPolarHBondContact OH-CD1 3.21Å; Y46-I171 HydrophobicContact CD2-CD1 4.13Å; Y46-I171 HydrophobicContact CD2-CG1 4.44Å; Y46-I171 HydrophobicContact CD2-CG2 3.61Å; Y46-I171 HydrophobicContact CE2-CG1 4.42Å; Y46-I171 HydrophobicContact CE2-CG2 3.77Å; Y46-D174 HydrophobicContact CE2-CB 4.25Å; Y46-D174 WeakPolarHBondContact CE2-OD2 3.32Å; Y46-D174 PolarHBondContact OH-OD2 3.41Å; Y46-F175 AromaticContact CD2-CE1 3.81Å; Y46-F175 HydrophobicContact CD2-CE1 3.81Å; Y46-F175 HydrophobicContact CD2-CZ 4.24Å; Y46-F175 AromaticContact CE2-CE1 3.9Å; Y46-F175 HydrophobicContact CE2-CE1 3.9Å |
| 47 | A | 87.6 | Confident | 91 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | H43 I45 S49 Y107 | H43-A47 WeakPolarHBondContact O-CB 3.39Å; H43-A47 PolarHBondContact O-N 3.43Å; I45-A47 PolarHBondContact O-N 2.99Å; A47-S49 VanDerWaalsContact C-N 3.35Å; A47-Y107 HydrophobicContact CB-CD2 3.9Å; A47-Y107 HydrophobicContact CB-CE2 3.75Å |
| 48 | N | 89.8 | Confident | 91.3 | Very high | 78 Ų | 78 | 27.7 Ų | 27.7 | 42% | 0.417 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -71.7 | -28.6 | 171.1 | -75.4 | -79.7 | 0 | 0 | 0 | 112.5 | F44 I45 Y46 L51 G52 | F44-N48 PolarHBondContact O-N 3.27Å; F44-N48 PolarHBondContact O-ND2 2.98Å; I45-N48 PolarHBondContact O-N 2.97Å; Y46-N48 PolarHBondContact O-N 2.79Å; N48-L51 WeakPolarHBondContact O-CB 3.29Å; N48-L51 PolarHBondContact O-N 3.31Å; N48-G52 PolarHBondContact O-N 3.5Å |
| 49 | S | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.6 | -33.4 | 174.5 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | F29 I45 Y46 A47 L51 G52 I53 | F29-S49 WeakPolarHBondContact CE2-OG 3.37Å; F29-S49 WeakPolarHBondContact CZ-OG 2.86Å; I45-S49 WeakPolarHBondContact O-CB 3.35Å; I45-S49 PolarHBondContact O-N 3.38Å; I45-S49 PolarHBondContact O-OG 2.98Å; Y46-S49 CarbonylContact O-C 3.59Å; Y46-S49 WeakPolarHBondContact O-CA 3.45Å; Y46-S49 VanDerWaalsContact O-CB 3.27Å; Y46-S49 WeakPolarHBondContact O-CB 3.28Å; Y46-S49 PolarHBondContact O-N 2.79Å; A47-S49 VanDerWaalsContact C-N 3.35Å; S49-L51 VanDerWaalsContact C-N 3.34Å; S49-L51 PolarHBondContact O-N 3.48Å; S49-G52 CarbonylContact O-C 3.53Å; S49-G52 WeakPolarHBondContact O-CA 3.47Å; S49-G52 PolarHBondContact O-N 2.87Å; S49-G52 VanDerWaalsContact O-N 3.08Å; S49-I53 WeakPolarHBondContact O-CG1 3.46Å; S49-I53 PolarHBondContact O-N 3.48Å |
| 50 | L | 91.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 171.6 | -60.7 | -177.8 | 0 | 0 | 0 | 111.7 | Y46 G52 I53 E54 I110 L114 F175 L178 | Y46-L50 HydrophobicContact CD1-CD1 4.4Å; Y46-L50 HydrophobicContact CE1-CD1 3.85Å; Y46-L50 HydrophobicContact CE1-CG 4.36Å; Y46-L50 HydrophobicContact CE2-CD2 4.05Å; Y46-L50 HydrophobicContact CE2-CG 4.47Å; Y46-L50 WeakPolarHBondContact O-CG 3.28Å; Y46-L50 PolarHBondContact O-N 3.15Å; L50-G52 VanDerWaalsContact C-N 3.33Å; L50-I53 PolarHBondContact O-N 2.82Å; L50-E54 PolarHBondContact O-N 2.93Å; L50-I110 HydrophobicContact CB-CG2 4.09Å; L50-I110 HydrophobicContact CD1-CG2 4.41Å; L50-L114 HydrophobicContact CD1-CD1 4.43Å; L50-L114 HydrophobicContact CD2-CD1 4.05Å; L50-F175 HydrophobicContact CD2-CD1 3.93Å; L50-F175 HydrophobicContact CD2-CE1 3.9Å; L50-L178 HydrophobicContact CB-CD2 4Å; L50-L178 HydrophobicContact CD2-CD2 3.85Å; L50-L178 HydrophobicContact CG-CD2 4.48Å |
| 51 | L | 90.1 | Very high | 92 | Very high | 57 Ų | 57 | 24 Ų | 24 | 30% | 0.298 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.3 | -36 | 169.8 | -64.2 | 175.2 | 0 | 0 | 0 | 112.2 | N48 S49 E54 L55 Y107 I110 | N48-L51 WeakPolarHBondContact O-CB 3.29Å; N48-L51 PolarHBondContact O-N 3.31Å; S49-L51 VanDerWaalsContact C-N 3.34Å; S49-L51 PolarHBondContact O-N 3.48Å; L51-E54 PolarHBondContact O-N 2.93Å; L51-L55 PolarHBondContact O-N 2.94Å; L51-Y107 HydrophobicContact CD1-CE1 3.75Å; L51-Y107 HydrophobicContact CD2-CD1 4.13Å; L51-Y107 HydrophobicContact CD2-CE1 3.94Å; L51-Y107 HydrophobicContact CG-CD1 4.49Å; L51-Y107 HydrophobicContact CG-CE1 4.07Å; L51-I110 HydrophobicContact CD2-CD1 3.64Å |
| 52 | G | 93 | Very high | 92 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59 | -50.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | N48 S49 L50 E54 L55 C56 | N48-G52 PolarHBondContact O-N 3.5Å; S49-G52 CarbonylContact O-C 3.53Å; S49-G52 WeakPolarHBondContact O-CA 3.47Å; S49-G52 PolarHBondContact O-N 2.87Å; S49-G52 VanDerWaalsContact O-N 3.08Å; L50-G52 VanDerWaalsContact C-N 3.33Å; G52-E54 VanDerWaalsContact C-N 3.33Å; G52-E54 PolarHBondContact O-N 3.44Å; G52-L55 WeakPolarHBondContact O-CB 3.48Å; G52-L55 PolarHBondContact O-N 2.89Å; G52-L55 VanDerWaalsContact O-N 3.15Å; G52-C56 WeakPolarHBondContact O-CB 3.26Å; G52-C56 PolarHBondContact O-N 2.94Å; G52-C56 PolarHBondContact O-SG 3.48Å |
| 53 | I | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -36.4 | 175.9 | -66.3 | -65.6 | 0 | 0 | 0 | 112 | S49 L50 C56 S57 L74 F75 F175 L178 F179 | S49-I53 WeakPolarHBondContact O-CG1 3.46Å; S49-I53 PolarHBondContact O-N 3.48Å; L50-I53 PolarHBondContact O-N 2.82Å; I53-C56 PolarHBondContact O-N 3.29Å; I53-S57 WeakPolarHBondContact O-CB 3.31Å; I53-S57 PolarHBondContact O-N 3.26Å; I53-S57 PolarHBondContact O-OG 3.15Å; I53-L74 HydrophobicContact CD1-CB 4.07Å; I53-L74 HydrophobicContact CD1-CD1 3.75Å; I53-L74 HydrophobicContact CD1-CG 4.5Å; I53-L74 HydrophobicContact CG1-CD1 4.11Å; I53-F75 HydrophobicContact CD1-CE1 4.12Å; I53-F75 HydrophobicContact CD1-CE2 3.94Å; I53-F75 HydrophobicContact CD1-CZ 3.6Å; I53-F175 HydrophobicContact CD1-CB 3.82Å; I53-F175 HydrophobicContact CD1-CD2 4.42Å; I53-F175 HydrophobicContact CD1-CG 4.14Å; I53-F175 HydrophobicContact CG1-CB 3.89Å; I53-F175 HydrophobicContact CG1-CD1 4.09Å; I53-F175 HydrophobicContact CG1-CD2 4.43Å; I53-F175 HydrophobicContact CG1-CG 3.89Å; I53-L178 HydrophobicContact CB-CD2 4.15Å; I53-L178 HydrophobicContact CG2-CB 3.93Å; I53-L178 HydrophobicContact CG2-CD2 3.92Å; I53-L178 HydrophobicContact CG2-CG 3.84Å; I53-F179 HydrophobicContact CG2-CB 3.84Å; I53-F179 HydrophobicContact CG2-CD2 4.49Å |
| 54 | E | 93.7 | Very high | 91.9 | Very high | 33 Ų | 33 | 27 Ų | 27 | 15% | 0.154 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 170.7 | 176.3 | 170.6 | -104.4 | 0 | 0 | 111.3 | K3 L50 L51 G52 C56 S57 I58 L182 | K3-E54 VanDerWaalsContact CE-OE1 3.23Å; K3-E54 WeakPolarHBondContact CE-OE1 3.42Å; K3-E54 WeakPolarHBondContact CE-OE2 3.49Å; K3-E54 IonicContact NZ-OE1 3.6Å; K3-E54 PolarHBondContact NZ-OE1 2.96Å; K3-E54 IonicContact NZ-OE2 3.65Å; K3-E54 PolarHBondContact NZ-OE2 3.48Å; L50-E54 PolarHBondContact O-N 2.93Å; L51-E54 PolarHBondContact O-N 2.93Å; G52-E54 VanDerWaalsContact C-N 3.33Å; G52-E54 PolarHBondContact O-N 3.44Å; E54-C56 PolarHBondContact O-N 3.01Å; E54-S57 PolarHBondContact O-N 2.95Å; E54-S57 PolarHBondContact O-OG 3.38Å; E54-I58 HydrophobicContact CG-CD1 3.65Å; E54-I58 HydrophobicContact CG-CG1 4.44Å; E54-I58 WeakPolarHBondContact O-CB 3.39Å; E54-I58 VanDerWaalsContact O-CD1 3.3Å; E54-I58 WeakPolarHBondContact O-CD1 3.24Å; E54-I58 WeakPolarHBondContact O-CG1 3.4Å; E54-I58 PolarHBondContact O-N 3.29Å; E54-L182 HydrophobicContact CB-CD1 3.82Å; E54-L182 HydrophobicContact CG-CD1 4.01Å |
| 55 | L | 94.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 27.8 Ų | 27.8 | 14% | 0.141 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.5 | 178.2 | 61.9 | 0 | 0 | 0 | 112.1 | A2 Y17 L21 L51 G52 I58 K59 I67 | A2-L55 HydrophobicContact CB-CD1 3.72Å; Y17-L55 HydrophobicContact CD1-CD2 4.19Å; Y17-L55 HydrophobicContact CE1-CD1 4.25Å; Y17-L55 HydrophobicContact CE1-CD2 3.7Å; L21-L55 HydrophobicContact CD2-CD2 3.77Å; L51-L55 PolarHBondContact O-N 2.94Å; G52-L55 WeakPolarHBondContact O-CB 3.48Å; G52-L55 PolarHBondContact O-N 2.89Å; G52-L55 VanDerWaalsContact O-N 3.15Å; L55-I58 PolarHBondContact O-N 3.15Å; L55-K59 HydrophobicContact CD1-CG 3.89Å; L55-K59 WeakPolarHBondContact O-CB 3.39Å; L55-K59 VanDerWaalsContact O-CG 3.28Å; L55-K59 WeakPolarHBondContact O-CG 3.47Å; L55-K59 PolarHBondContact O-N 3.34Å; L55-I67 HydrophobicContact CD2-CD1 3.78Å; L55-I67 HydrophobicContact CG-CD1 4.04Å |
| 56 | C | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.2 | -56.1 | 176.1 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | G52 I53 E54 I58 K59 A60 I67 E71 F179 | G52-C56 WeakPolarHBondContact O-CB 3.26Å; G52-C56 PolarHBondContact O-N 2.94Å; G52-C56 PolarHBondContact O-SG 3.48Å; I53-C56 PolarHBondContact O-N 3.29Å; E54-C56 PolarHBondContact O-N 3.01Å; C56-I58 VanDerWaalsContact C-N 3.3Å; C56-I58 PolarHBondContact O-N 3.37Å; C56-K59 CarbonylContact O-C 3.56Å; C56-K59 PolarHBondContact O-N 3.4Å; C56-A60 WeakPolarHBondContact O-CB 3.47Å; C56-A60 PolarHBondContact O-N 3.49Å; C56-I67 HydrophobicContact CB-CG2 4.24Å; C56-E71 HydrophobicContact CB-CG 3.62Å; C56-E71 WeakPolarHBondContact CB-OE1 3.5Å; C56-E71 VanDerWaalsContact SG-CG 3.53Å; C56-F179 HydrophobicContact CB-CD2 4.36Å; C56-F179 HydrophobicContact CB-CE2 4.14Å |
| 57 | S | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.6 | -40 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 112.6 | I53 E54 K59 L182 R187 | I53-S57 WeakPolarHBondContact O-CB 3.31Å; I53-S57 PolarHBondContact O-N 3.26Å; I53-S57 PolarHBondContact O-OG 3.15Å; E54-S57 PolarHBondContact O-N 2.95Å; E54-S57 PolarHBondContact O-OG 3.38Å; S57-K59 VanDerWaalsContact C-N 3.34Å; S57-K59 PolarHBondContact O-N 2.8Å; S57-L182 VanDerWaalsContact OG-CB 3.24Å; S57-L182 WeakPolarHBondContact OG-CB 3.45Å; S57-L182 WeakPolarHBondContact OG-CD1 3.44Å; S57-R187 WeakPolarHBondContact O-CD 3.14Å; S57-R187 PolarHBondContact O-NE 3.33Å |
| 58 | I | 94.8 | Very high | 92.4 | Very high | 28 Ų | 28 | 27.9 Ų | 27.9 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 173.7 | -69.8 | 160.2 | 0 | 0 | 0 | 111.4 | A2 K3 E54 L55 C56 R187 | A2-I58 HydrophobicContact CB-CG2 4.33Å; K3-I58 HydrophobicContact CD-CD1 4.27Å; K3-I58 HydrophobicContact CG-CD1 3.46Å; K3-I58 VanDerWaalsContact CG-CD1 3.46Å; K3-I58 HydrophobicContact CG-CG1 4.41Å; E54-I58 HydrophobicContact CG-CD1 3.65Å; E54-I58 HydrophobicContact CG-CG1 4.44Å; E54-I58 WeakPolarHBondContact O-CB 3.39Å; E54-I58 VanDerWaalsContact O-CD1 3.3Å; E54-I58 WeakPolarHBondContact O-CD1 3.24Å; E54-I58 WeakPolarHBondContact O-CG1 3.4Å; E54-I58 PolarHBondContact O-N 3.29Å; L55-I58 PolarHBondContact O-N 3.15Å; C56-I58 VanDerWaalsContact C-N 3.3Å; C56-I58 PolarHBondContact O-N 3.37Å; I58-R187 PolarHBondContact O-NH1 2.94Å; I58-R187 VanDerWaalsContact O-NH1 3.09Å |
| 59 | K | 93.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -91.7 | 1.9 | -173.8 | -60 | -65.1 | -65.5 | -168.7 | 0 | 114.3 | D7 L55 C56 S57 K61 S62 I67 | D7-K59 VanDerWaalsContact CG-NZ 3.35Å; D7-K59 IonicContact OD1-NZ 3.76Å; D7-K59 PolarHBondContact OD1-NZ 3.5Å; D7-K59 VanDerWaalsContact OD2-CE 3.27Å; D7-K59 WeakPolarHBondContact OD2-CE 3.34Å; D7-K59 IonicContact OD2-NZ 3.41Å; D7-K59 PolarHBondContact OD2-NZ 2.92Å; L55-K59 HydrophobicContact CD1-CG 3.89Å; L55-K59 WeakPolarHBondContact O-CB 3.39Å; L55-K59 VanDerWaalsContact O-CG 3.28Å; L55-K59 WeakPolarHBondContact O-CG 3.47Å; L55-K59 PolarHBondContact O-N 3.34Å; C56-K59 CarbonylContact O-C 3.56Å; C56-K59 PolarHBondContact O-N 3.4Å; S57-K59 VanDerWaalsContact C-N 3.34Å; S57-K59 PolarHBondContact O-N 2.8Å; K59-K61 PolarHBondContact O-N 3.08Å; K59-S62 WeakPolarHBondContact CE-OG 3.36Å; K59-S62 WeakPolarHBondContact O-CA 3.49Å; K59-S62 WeakPolarHBondContact O-CB 3.46Å; K59-S62 PolarHBondContact O-N 3.31Å; K59-I67 HydrophobicContact CB-CG1 4.39Å; K59-I67 HydrophobicContact CB-CG2 4.07Å; K59-I67 HydrophobicContact CG-CG1 4.5Å |
| 60 | A | 93.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -6.6 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | C56 F179 R187 Y232 | C56-A60 WeakPolarHBondContact O-CB 3.47Å; C56-A60 PolarHBondContact O-N 3.49Å; A60-F179 HydrophobicContact CB-CE2 4.19Å; A60-F179 HydrophobicContact CB-CZ 3.81Å; A60-R187 HydrophobicContact CB-CB 4.17Å; A60-Y232 WeakPolarHBondContact O-CE1 3.4Å |
| 61 | K | 89.5 | Confident | 92.8 | Very high | 83 Ų | 83 | 26.4 Ų | 26.4 | 36% | 0.361 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -9.6 | 170.2 | -178.6 | 172.4 | 179.4 | -172.4 | 0 | 113.7 | K59 R187 A190 R191 E194 | K59-K61 PolarHBondContact O-N 3.08Å; K61-R187 HydrophobicContact CB-CB 4.07Å; K61-A190 HydrophobicContact CD-CB 4.44Å; K61-R191 HydrophobicContact CG-CB 4.14Å; K61-R191 WeakPolarHBondContact O-CD 3.37Å; K61-E194 WeakPolarHBondContact CE-OE1 3.44Å; K61-E194 WeakPolarHBondContact CE-OE2 3.5Å; K61-E194 VanDerWaalsContact NZ-CD 3.32Å; K61-E194 IonicContact NZ-OE1 2.86Å; K61-E194 PolarHBondContact NZ-OE1 3.25Å; K61-E194 IonicContact NZ-OE2 3.06Å |
| 62 | S | 88.6 | Confident | 93 | Very high | 42 Ų | 42 | 24.3 Ų | 24.3 | 29% | 0.294 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -86.8 | 133.4 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | K59 C64 Y232 | K59-S62 WeakPolarHBondContact CE-OG 3.36Å; K59-S62 WeakPolarHBondContact O-CA 3.49Å; K59-S62 WeakPolarHBondContact O-CB 3.46Å; K59-S62 PolarHBondContact O-N 3.31Å; S62-C64 PolarHBondContact O-N 2.91Å; S62-Y232 PolarHBondContact O-OH 3.43Å |
| 63 | D | 87.9 | Confident | 93.1 | Very high | 65 Ų | 65 | 24.1 Ų | 24.1 | 35% | 0.348 | 13% | 0.13 | S | C | . | . | trans | -72.8 | 48.7 | 178.6 | -70.9 | 6.1 | 0 | 0 | 0 | 112.5 | R191 L224 L228 Y232 | D63-R191 VanDerWaalsContact CG-NH2 3.28Å; D63-R191 IonicContact OD1-CZ 2.77Å; D63-R191 IonicContact OD1-NE 3.42Å; D63-R191 PolarHBondContact OD1-NE 2.85Å; D63-R191 IonicContact OD1-NH2 3.99Å; D63-R191 PolarHBondContact OD1-NH2 3.02Å; D63-R191 VanDerWaalsContact OD1-NH2 3.16Å; D63-R191 IonicContact OD2-CZ 3.5Å; D63-R191 IonicContact OD2-NE 2.65Å; D63-R191 IonicContact OD2-NH2 3.29Å; D63-R191 PolarHBondContact OD2-NH2 3.13Å; D63-L224 WeakPolarHBondContact OD2-CD1 3.47Å; D63-L228 HydrophobicContact CB-CD2 3.78Å; D63-Y232 PolarHBondContact N-OH 3.3Å; D63-Y232 PolarHBondContact OD1-OH 3.38Å | ||
| 64 | C | 89.8 | Confident | 93.2 | Very high | 27 Ų | 27 | 24.1 Ų | 24.1 | 18% | 0.182 | 13% | 0.13 | C | C | . | . | trans | -99.6 | 90.3 | -173.1 | -168.1 | 0 | 0 | 0 | 0 | 110.6 | S62 A66 I67 L68 | S62-C64 PolarHBondContact O-N 2.91Å; C64-A66 PolarHBondContact O-N 3.14Å; C64-I67 HydrophobicContact CB-CB 4.45Å; C64-I67 HydrophobicContact CB-CG1 4.21Å; C64-I67 PolarHBondContact O-N 2.95Å; C64-L68 PolarHBondContact O-N 3.36Å | ||
| 65 | L | 88.5 | Confident | 93.3 | Very high | 104 Ų | 104 | 22.5 Ų | 22.5 | 55% | 0.545 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -50.3 | -35.6 | -174.6 | -176.3 | 63.7 | 0 | 0 | 0 | 114.1 | L68 E69 A231 | L65-L68 PolarHBondContact O-N 3.03Å; L65-E69 PolarHBondContact O-N 3.49Å; L65-A231 HydrophobicContact CD1-CB 3.75Å |
| 66 | A | 90.9 | Very high | 93.3 | Very high | 21 Ų | 21 | 22 Ų | 22 | 17% | 0.174 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I22 C64 L68 E69 L70 | I22-A66 WeakPolarHBondContact CD1-O 3.22Å; I22-A66 HydrophobicContact CG1-CB 4.39Å; C64-A66 PolarHBondContact O-N 3.14Å; A66-L68 VanDerWaalsContact C-N 3.29Å; A66-L68 PolarHBondContact O-N 3.37Å; A66-E69 PolarHBondContact O-N 3.12Å; A66-E69 VanDerWaalsContact O-N 3.11Å; A66-L70 PolarHBondContact O-N 2.82Å |
| 67 | I | 94.6 | Very high | 93 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.2 | -33.1 | -179.6 | -57 | -58.8 | 0 | 0 | 0 | 111.6 | Y17 L21 L55 C56 K59 C64 E69 L70 E71 | Y17-I67 HydrophobicContact CD1-CD1 4.14Å; Y17-I67 HydrophobicContact CD2-CD1 4.34Å; Y17-I67 HydrophobicContact CG-CD1 4.05Å; L21-I67 HydrophobicContact CD2-CD1 4.2Å; L55-I67 HydrophobicContact CD2-CD1 3.78Å; L55-I67 HydrophobicContact CG-CD1 4.04Å; C56-I67 HydrophobicContact CB-CG2 4.24Å; K59-I67 HydrophobicContact CB-CG1 4.39Å; K59-I67 HydrophobicContact CB-CG2 4.07Å; K59-I67 HydrophobicContact CG-CG1 4.5Å; C64-I67 HydrophobicContact CB-CB 4.45Å; C64-I67 HydrophobicContact CB-CG1 4.21Å; C64-I67 PolarHBondContact O-N 2.95Å; I67-E69 VanDerWaalsContact C-N 3.35Å; I67-L70 WeakPolarHBondContact O-CB 3.35Å; I67-L70 PolarHBondContact O-N 2.71Å; I67-L70 VanDerWaalsContact O-N 3.15Å; I67-E71 WeakPolarHBondContact O-CG 3.35Å; I67-E71 PolarHBondContact O-N 2.62Å |
| 68 | L | 93.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.3 | -30.7 | 174.2 | -55.8 | 179 | 0 | 0 | 0 | 112.6 | C64 L65 A66 E71 S72 L228 A231 Y232 | C64-L68 PolarHBondContact O-N 3.36Å; L65-L68 PolarHBondContact O-N 3.03Å; A66-L68 VanDerWaalsContact C-N 3.29Å; A66-L68 PolarHBondContact O-N 3.37Å; L68-E71 WeakPolarHBondContact CD2-OE2 3.44Å; L68-S72 WeakPolarHBondContact O-CB 3.5Å; L68-S72 PolarHBondContact O-N 2.83Å; L68-S72 PolarHBondContact O-OG 3.38Å; L68-L228 HydrophobicContact CD1-CD1 3.49Å; L68-L228 VanDerWaalsContact CD1-CD1 3.49Å; L68-A231 HydrophobicContact CB-CB 3.95Å; L68-A231 HydrophobicContact CD1-CB 3.85Å; L68-Y232 HydrophobicContact CD1-CD1 3.83Å; L68-Y232 HydrophobicContact CD1-CD2 4.03Å; L68-Y232 HydrophobicContact CD1-CE1 3.9Å; L68-Y232 HydrophobicContact CD1-CE2 4.1Å; L68-Y232 HydrophobicContact CD1-CG 3.9Å; L68-Y232 HydrophobicContact CD2-CD1 3.5Å; L68-Y232 VanDerWaalsContact CD2-CD1 3.5Å; L68-Y232 HydrophobicContact CD2-CE1 3.58Å; L68-Y232 HydrophobicContact CD2-CG 4.31Å; L68-Y232 HydrophobicContact CG-CD1 4.33Å; L68-Y232 HydrophobicContact CG-CE1 4.35Å |
| 69 | E | 92.5 | Very high | 92.6 | Very high | 48 Ų | 48 | 27.5 Ų | 27.5 | 22% | 0.224 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.2 | -31.5 | 168.6 | -168.2 | 164 | 134.2 | 0 | 0 | 111.8 | I22 Q26 L65 A66 I67 S72 I73 K281 | I22-E69 HydrophobicContact CD1-CB 4.2Å; Q26-E69 PolarHBondContact NE2-OE1 2.89Å; L65-E69 PolarHBondContact O-N 3.49Å; A66-E69 PolarHBondContact O-N 3.12Å; A66-E69 VanDerWaalsContact O-N 3.11Å; I67-E69 VanDerWaalsContact C-N 3.35Å; E69-S72 CarbonylContact O-C 3.38Å; E69-S72 WeakPolarHBondContact O-CB 3.27Å; E69-S72 PolarHBondContact O-N 2.65Å; E69-I73 HydrophobicContact CG-CD1 4.44Å; E69-I73 WeakPolarHBondContact O-CD1 3.14Å; E69-I73 VanDerWaalsContact O-CG1 3.28Å; E69-I73 WeakPolarHBondContact O-CG1 3.34Å; E69-I73 PolarHBondContact O-N 3.48Å; E69-I73 VanDerWaalsContact O-N 3.14Å; E69-K281 IonicContact OE2-NZ 3.35Å; E69-K281 PolarHBondContact OE2-NZ 3.29Å |
| 70 | L | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -46 | 170.3 | 179.3 | 60.6 | 0 | 0 | 0 | 111.5 | L21 I22 F25 A66 I67 S72 I73 L74 | L21-L70 HydrophobicContact CD2-CD2 3.82Å; L21-L70 HydrophobicContact CG-CD2 4.14Å; I22-L70 HydrophobicContact CD1-CB 3.68Å; I22-L70 VanDerWaalsContact CD1-N 3.35Å; F25-L70 HydrophobicContact CB-CD1 3.58Å; F25-L70 HydrophobicContact CD1-CD1 3.74Å; F25-L70 HydrophobicContact CD2-CD1 3.66Å; F25-L70 HydrophobicContact CE1-CD1 4.37Å; F25-L70 HydrophobicContact CE2-CD1 4.3Å; F25-L70 HydrophobicContact CG-CD1 3.34Å; A66-L70 PolarHBondContact O-N 2.82Å; I67-L70 WeakPolarHBondContact O-CB 3.35Å; I67-L70 PolarHBondContact O-N 2.71Å; I67-L70 VanDerWaalsContact O-N 3.15Å; L70-S72 VanDerWaalsContact C-N 3.27Å; L70-S72 PolarHBondContact O-N 2.65Å; L70-I73 PolarHBondContact O-N 3.3Å; L70-L74 HydrophobicContact CD1-CD1 3.97Å; L70-L74 HydrophobicContact CD1-CG 3.99Å; L70-L74 HydrophobicContact CD2-CD1 4.38Å; L70-L74 HydrophobicContact CG-CD1 3.79Å; L70-L74 HydrophobicContact CG-CG 4.23Å; L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 3.29Å |
| 71 | E | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.6 | -44.5 | 171.4 | -70.2 | 177 | 179.7 | 0 | 0 | 110.6 | C56 I67 L68 I73 L74 F75 P235 | C56-E71 HydrophobicContact CB-CG 3.62Å; C56-E71 WeakPolarHBondContact CB-OE1 3.5Å; C56-E71 VanDerWaalsContact SG-CG 3.53Å; I67-E71 WeakPolarHBondContact O-CG 3.35Å; I67-E71 PolarHBondContact O-N 2.62Å; L68-E71 WeakPolarHBondContact CD2-OE2 3.44Å; E71-I73 PolarHBondContact O-N 2.99Å; E71-I73 VanDerWaalsContact O-N 3.12Å; E71-L74 PolarHBondContact O-N 3.42Å; E71-F75 HydrophobicContact CB-CD2 4.01Å; E71-F75 HydrophobicContact CB-CE2 4.25Å; E71-F75 HydrophobicContact CG-CD2 4.49Å; E71-F75 HydrophobicContact CG-CE2 4.22Å; E71-F75 WeakPolarHBondContact O-CB 3.39Å; E71-F75 WeakPolarHBondContact O-CD2 3.14Å; E71-F75 PolarHBondContact O-N 2.88Å; E71-P235 HydrophobicContact CB-CB 3.83Å; E71-P235 HydrophobicContact CB-CG 3.56Å |
| 72 | S | 94.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.3 | -11.7 | 177 | -56.7 | 0 | 0 | 0 | 0 | 114.7 | R30 L68 E69 L70 | R30-S72 PolarHBondContact NH2-O 3.09Å; R30-S72 VanDerWaalsContact NH2-O 3.15Å; L68-S72 WeakPolarHBondContact O-CB 3.5Å; L68-S72 PolarHBondContact O-N 2.83Å; L68-S72 PolarHBondContact O-OG 3.38Å; E69-S72 CarbonylContact O-C 3.38Å; E69-S72 WeakPolarHBondContact O-CB 3.27Å; E69-S72 PolarHBondContact O-N 2.65Å; L70-S72 VanDerWaalsContact C-N 3.27Å; L70-S72 PolarHBondContact O-N 2.65Å |
| 73 | I | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -98.7 | -43.1 | 173.6 | -66.4 | 157.7 | 0 | 0 | 0 | 110.3 | I22 F25 Q26 F29 E69 L70 E71 | I22-I73 HydrophobicContact CD1-CD1 4.42Å; I22-I73 HydrophobicContact CG2-CD1 4.32Å; F25-I73 HydrophobicContact CB-CG2 4.31Å; Q26-I73 HydrophobicContact CG-CD1 3.54Å; Q26-I73 HydrophobicContact CG-CG1 4.43Å; F29-I73 HydrophobicContact CB-CG2 3.55Å; F29-I73 HydrophobicContact CD1-CG2 4.32Å; F29-I73 HydrophobicContact CD2-CG2 4.26Å; F29-I73 HydrophobicContact CG-CG2 3.79Å; E69-I73 HydrophobicContact CG-CD1 4.44Å; E69-I73 WeakPolarHBondContact O-CD1 3.14Å; E69-I73 VanDerWaalsContact O-CG1 3.28Å; E69-I73 WeakPolarHBondContact O-CG1 3.34Å; E69-I73 PolarHBondContact O-N 3.48Å; E69-I73 VanDerWaalsContact O-N 3.14Å; L70-I73 PolarHBondContact O-N 3.3Å; E71-I73 PolarHBondContact O-N 2.99Å; E71-I73 VanDerWaalsContact O-N 3.12Å |
| 74 | L | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.5 | -36.2 | -178 | -69.5 | 176.2 | 0 | 0 | 0 | 113.2 | F25 F29 I53 L70 E71 H82 F175 | F25-L74 HydrophobicContact CD1-CD2 3.74Å; F25-L74 HydrophobicContact CE1-CD2 3.66Å; F29-L74 HydrophobicContact CE1-CD2 4.05Å; F29-L74 HydrophobicContact CE2-CD2 3.79Å; F29-L74 HydrophobicContact CZ-CD2 3.49Å; F29-L74 VanDerWaalsContact CZ-CD2 3.49Å; I53-L74 HydrophobicContact CD1-CB 4.07Å; I53-L74 HydrophobicContact CD1-CD1 3.75Å; I53-L74 HydrophobicContact CD1-CG 4.5Å; I53-L74 HydrophobicContact CG1-CD1 4.11Å; L70-L74 HydrophobicContact CD1-CD1 3.97Å; L70-L74 HydrophobicContact CD1-CG 3.99Å; L70-L74 HydrophobicContact CD2-CD1 4.38Å; L70-L74 HydrophobicContact CG-CD1 3.79Å; L70-L74 HydrophobicContact CG-CG 4.23Å; L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 3.29Å; E71-L74 PolarHBondContact O-N 3.42Å; L74-H82 PolarHBondContact O-NE2 2.83Å; L74-F175 HydrophobicContact CD2-CE2 4.35Å |
| 75 | F | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 2.3 | -177.8 | -68.1 | -69.3 | 0 | 0 | 0 | 114.4 | I53 E71 P77 L172 F175 I176 F179 P235 F236 C239 | I53-F75 HydrophobicContact CD1-CE1 4.12Å; I53-F75 HydrophobicContact CD1-CE2 3.94Å; I53-F75 HydrophobicContact CD1-CZ 3.6Å; E71-F75 HydrophobicContact CB-CD2 4.01Å; E71-F75 HydrophobicContact CB-CE2 4.25Å; E71-F75 HydrophobicContact CG-CD2 4.49Å; E71-F75 HydrophobicContact CG-CE2 4.22Å; E71-F75 WeakPolarHBondContact O-CB 3.39Å; E71-F75 WeakPolarHBondContact O-CD2 3.14Å; E71-F75 PolarHBondContact O-N 2.88Å; F75-P77 WeakPolarHBondContact O-CD 3.44Å; F75-L172 HydrophobicContact CB-CD1 4.31Å; F75-L172 HydrophobicContact CD1-CD1 3.78Å; F75-F175 HydrophobicContact CE1-CB 4.22Å; F75-I176 HydrophobicContact CD1-CG1 4.02Å; F75-I176 HydrophobicContact CE1-CG1 3.83Å; F75-F179 HydrophobicContact CE2-CD2 4.27Å; F75-F179 HydrophobicContact CZ-CB 3.93Å; F75-F179 AromaticContact CZ-CD2 4Å; F75-F179 HydrophobicContact CZ-CD2 4Å; F75-F179 AromaticContact CZ-CG 3.92Å; F75-F179 HydrophobicContact CZ-CG 3.92Å; F75-P235 HydrophobicContact CB-CB 4.18Å; F75-P235 HydrophobicContact CD2-CB 3.98Å; F75-P235 HydrophobicContact CG-CB 4.47Å; F75-F236 HydrophobicContact CD2-CE1 4.28Å; F75-F236 AromaticContact CE2-CE1 3.97Å; F75-F236 HydrophobicContact CE2-CE1 3.97Å; F75-F236 HydrophobicContact CE2-CZ 4.27Å; F75-F236 HydrophobicContact CZ-CE1 4.19Å; F75-C239 HydrophobicContact CB-CB 4.29Å; F75-C239 WeakPolarHBondContact O-CB 3.47Å |
| 76 | D | 94.2 | Very high | 92.3 | Very high | 17 Ų | 17 | 22.3 Ų | 22.3 | 9% | 0.091 | 12% | 0.12 | C | C | . | . | trans | -80 | 103 | 179 | -178.7 | 2.9 | 0 | 0 | 0 | 111.7 | R30 N78 S79 H82 L238 | R30-D76 IonicContact CZ-OD2 3.54Å; R30-D76 IonicContact NE-OD2 3.52Å; R30-D76 IonicContact NH2-OD2 2.64Å; R30-D76 PolarHBondContact NH2-OD2 3.13Å; D76-N78 PolarHBondContact O-N 3.39Å; D76-N78 VanDerWaalsContact O-N 3.1Å; D76-N78 PolarHBondContact OD1-N 3.15Å; D76-N78 VanDerWaalsContact OD1-N 3.13Å; D76-N78 PolarHBondContact OD1-ND2 3.35Å; D76-S79 WeakPolarHBondContact O-CB 3.42Å; D76-S79 PolarHBondContact O-N 2.93Å; D76-S79 VanDerWaalsContact O-N 3.13Å; D76-S79 PolarHBondContact O-OG 3.08Å; D76-H82 PolarHBondContact O-CD2 2.64Å; D76-H82 VanDerWaalsContact O-CD2 3.3Å; D76-L238 HydrophobicContact CB-CD1 4Å | ||
| 77 | P | 90.3 | Very high | 92.1 | Very high | 19 Ų | 19 | 26.5 Ų | 26.5 | 12% | 0.123 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.1 | -176.4 | 27.2 | -34.4 | 0 | 0 | 0 | 113 | F75 S79 L172 L238 Y242 | F75-P77 WeakPolarHBondContact O-CD 3.44Å; P77-S79 VanDerWaalsContact C-N 3.3Å; P77-L172 HydrophobicContact CB-CD2 3.74Å; P77-L172 HydrophobicContact CG-CD2 4.43Å; P77-L238 WeakPolarHBondContact CD-O 3.3Å; P77-Y242 HydrophobicContact CB-CE2 3.72Å; P77-Y242 HydrophobicContact CG-CE2 4.03Å |
| 78 | N | 89.9 | Confident | 91.6 | Very high | 120 Ų | 120 | 28.7 Ų | 28.7 | 64% | 0.642 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 1.2 | -176.9 | -41.3 | -83.5 | 0 | 0 | 0 | 112.7 | D76 | D76-N78 PolarHBondContact O-N 3.39Å; D76-N78 VanDerWaalsContact O-N 3.1Å; D76-N78 PolarHBondContact OD1-N 3.15Å; D76-N78 VanDerWaalsContact OD1-N 3.13Å; D76-N78 PolarHBondContact OD1-ND2 3.35Å |
| 79 | S | 92.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -61.6 | 150.4 | 176.4 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | F29 D76 P77 F81 H82 T83 | F29-S79 WeakPolarHBondContact O-CB 3.47Å; D76-S79 WeakPolarHBondContact O-CB 3.42Å; D76-S79 PolarHBondContact O-N 2.93Å; D76-S79 VanDerWaalsContact O-N 3.13Å; D76-S79 PolarHBondContact O-OG 3.08Å; P77-S79 VanDerWaalsContact C-N 3.3Å; S79-F81 PolarHBondContact O-N 2.81Å; S79-H82 PolarHBondContact O-N 2.99Å; S79-H82 PolarHBondContact OG-CD2 2.94Å; S79-H82 PolarHBondContact OG-N 3.21Å; S79-T83 WeakPolarHBondContact O-CB 3.06Å; S79-T83 PolarHBondContact O-N 3.38Å; S79-T83 PolarHBondContact O-OG1 3.04Å |
| 80 | Q | 92.3 | Very high | 90.5 | Very high | 52 Ų | 52 | 35.6 Ų | 35.6 | 24% | 0.243 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -30.3 | 178.6 | -62.8 | -67 | 18.9 | 0 | 0 | 111.8 | F29 D32 V34 T35 R84 | F29-Q80 WeakPolarHBondContact O-CA 3.46Å; F29-Q80 WeakPolarHBondContact O-CB 3.5Å; F29-Q80 PolarHBondContact O-N 2.87Å; D32-Q80 PolarHBondContact OD1-NE2 3.39Å; V34-Q80 HydrophobicContact CB-CB 4.13Å; T35-Q80 HydrophobicContact CG2-CB 4.17Å; T35-Q80 HydrophobicContact CG2-CG 4.45Å; Q80-R84 WeakPolarHBondContact O-CB 3.38Å; Q80-R84 PolarHBondContact O-N 3.27Å |
| 81 | F | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68 | -51.7 | 174.2 | 177.6 | -99.3 | 0 | 0 | 0 | 113 | F29 V34 L42 I45 S79 T83 R84 S85 I95 I171 F175 | F29-F81 HydrophobicContact CB-CB 4.42Å; F29-F81 HydrophobicContact CD1-CB 3.85Å; F29-F81 HydrophobicContact CD1-CD1 4.02Å; F29-F81 HydrophobicContact CD1-CG 4.25Å; F29-F81 HydrophobicContact CE1-CB 4.15Å; F29-F81 AromaticContact CE1-CD1 3.42Å; F29-F81 HydrophobicContact CE1-CD1 3.42Å; F29-F81 VanDerWaalsContact CE1-CD1 3.42Å; F29-F81 HydrophobicContact CE1-CE1 4.14Å; F29-F81 HydrophobicContact CE1-CG 4.05Å; F29-F81 HydrophobicContact CE2-CD1 4.33Å; F29-F81 HydrophobicContact CE2-CG 4.5Å; F29-F81 HydrophobicContact CG-CB 4.04Å; F29-F81 AromaticContact CZ-CD1 3.58Å; F29-F81 HydrophobicContact CZ-CD1 3.58Å; F29-F81 AromaticContact CZ-CE1 3.95Å; F29-F81 HydrophobicContact CZ-CE1 3.95Å; F29-F81 HydrophobicContact CZ-CG 4.16Å; F29-F81 PolarHBondContact O-N 3.05Å; V34-F81 HydrophobicContact CG1-CB 3.99Å; V34-F81 HydrophobicContact CG1-CD2 4.31Å; L42-F81 HydrophobicContact CB-CE2 4.2Å; L42-F81 HydrophobicContact CD2-CD2 3.73Å; L42-F81 HydrophobicContact CD2-CE2 3.84Å; I45-F81 HydrophobicContact CB-CD2 4.34Å; I45-F81 HydrophobicContact CB-CE2 3.83Å; I45-F81 HydrophobicContact CB-CZ 4.47Å; I45-F81 HydrophobicContact CG2-CD2 3.67Å; I45-F81 HydrophobicContact CG2-CE2 3.48Å; I45-F81 VanDerWaalsContact CG2-CE2 3.48Å; I45-F81 HydrophobicContact CG2-CG 4.34Å; I45-F81 HydrophobicContact CG2-CZ 3.98Å; S79-F81 PolarHBondContact O-N 2.81Å; F81-T83 VanDerWaalsContact C-N 3.32Å; F81-T83 PolarHBondContact O-N 2.91Å; F81-R84 PolarHBondContact O-N 3.38Å; F81-S85 PolarHBondContact O-N 3.11Å; F81-I95 HydrophobicContact CZ-CG2 4.44Å; F81-I171 HydrophobicContact CE1-CD1 4.31Å; F81-I171 HydrophobicContact CE1-CG2 3.99Å; F81-I171 HydrophobicContact CZ-CD1 4.23Å; F81-F175 HydrophobicContact CE1-CZ 4.35Å |
| 82 | H | 91 | Very high | 89.6 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 177.5 | -77 | -56.4 | 0 | 0 | 0 | 110.9 | F29 L74 D76 S79 R84 S85 L172 F175 | F29-H82 AromaticContact CE1-NE2 3.99Å; L74-H82 PolarHBondContact O-NE2 2.83Å; D76-H82 PolarHBondContact O-CD2 2.64Å; D76-H82 VanDerWaalsContact O-CD2 3.3Å; S79-H82 PolarHBondContact O-N 2.99Å; S79-H82 PolarHBondContact OG-CD2 2.94Å; S79-H82 PolarHBondContact OG-N 3.21Å; H82-R84 PolarHBondContact O-N 2.58Å; H82-S85 WeakPolarHBondContact O-CB 3.44Å; H82-S85 PolarHBondContact O-N 2.6Å; H82-S85 VanDerWaalsContact O-N 3.12Å; H82-S85 PolarHBondContact O-OG 3.36Å; H82-L172 PolarHBondContact CE1-N 3.23Å; H82-F175 AromaticContact CE1-CD2 3.76Å; H82-F175 AromaticContact CE1-CE2 3.55Å; H82-F175 AromaticContact NE2-CD2 3.97Å; H82-F175 AromaticContact NE2-CE2 3.83Å |
| 83 | T | 89.2 | Confident | 89.1 | Confident | 67 Ų | 67 | 40.7 Ų | 40.7 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 174.6 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | S79 F81 S85 I86 | S79-T83 WeakPolarHBondContact O-CB 3.06Å; S79-T83 PolarHBondContact O-N 3.38Å; S79-T83 PolarHBondContact O-OG1 3.04Å; F81-T83 VanDerWaalsContact C-N 3.32Å; F81-T83 PolarHBondContact O-N 2.91Å; T83-S85 VanDerWaalsContact C-N 3.32Å; T83-S85 PolarHBondContact O-N 2.93Å; T83-I86 WeakPolarHBondContact O-CG1 3.36Å |
| 84 | R | 89.4 | Confident | 88.7 | Confident | 43 Ų | 43 | 43.1 Ų | 43.1 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.8 | -33.4 | 174.4 | 175.5 | 57.3 | 169 | 166.1 | 2.1 | 112.1 | T35 W37 L42 Q80 F81 H82 I86 I87 | T35-R84 WeakPolarHBondContact O-CD 3.44Å; T35-R84 PolarHBondContact O-NE 2.76Å; W37-R84 PolarHBondContact O-NE 2.9Å; W37-R84 PolarHBondContact O-NH2 3.41Å; L42-R84 HydrophobicContact CD1-CG 3.5Å; L42-R84 VanDerWaalsContact CD1-CG 3.5Å; L42-R84 HydrophobicContact CD2-CG 4.17Å; Q80-R84 WeakPolarHBondContact O-CB 3.38Å; Q80-R84 PolarHBondContact O-N 3.27Å; F81-R84 PolarHBondContact O-N 3.38Å; H82-R84 PolarHBondContact O-N 2.58Å; R84-I86 PolarHBondContact O-N 3.01Å; R84-I87 WeakPolarHBondContact O-CG2 3.22Å; R84-I87 PolarHBondContact O-N 2.76Å |
| 85 | S | 86.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -23.4 | -174.9 | 79.5 | 0 | 0 | 0 | 0 | 114.5 | F81 H82 T83 T92 | F81-S85 PolarHBondContact O-N 3.11Å; H82-S85 WeakPolarHBondContact O-CB 3.44Å; H82-S85 PolarHBondContact O-N 2.6Å; H82-S85 VanDerWaalsContact O-N 3.12Å; H82-S85 PolarHBondContact O-OG 3.36Å; T83-S85 VanDerWaalsContact C-N 3.32Å; T83-S85 PolarHBondContact O-N 2.93Å; S85-T92 PolarHBondContact O-OG1 3.47Å |
| 86 | I | 84.9 | Confident | 87.7 | Confident | 60 Ų | 60 | 45 Ų | 45 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -0.6 | -176.1 | 57.9 | 161.7 | 0 | 0 | 0 | 115.2 | T83 R84 S88 P170 | T83-I86 WeakPolarHBondContact O-CG1 3.36Å; R84-I86 PolarHBondContact O-N 3.01Å; I86-S88 PolarHBondContact O-N 3.35Å; I86-S88 VanDerWaalsContact O-N 3.08Å; I86-P170 HydrophobicContact CG2-CG 4.2Å |
| 87 | I | 85.2 | Confident | 87 | Confident | 109 Ų | 109 | 47.2 Ų | 47.2 | 56% | 0.559 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -59.6 | -27.3 | -173.6 | -162.4 | 173 | 0 | 0 | 0 | 113.3 | R84 V91 | R84-I87 WeakPolarHBondContact O-CG2 3.22Å; R84-I87 PolarHBondContact O-N 2.76Å; I87-V91 HydrophobicContact CG2-CB 3.9Å; I87-V91 HydrophobicContact CG2-CG1 3.93Å; I87-V91 HydrophobicContact CG2-CG2 3.8Å |
| 88 | S | 84.6 | Confident | 86.4 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | trans | -157.7 | 159.3 | 163 | 76.6 | 0 | 0 | 0 | 0 | 110.6 | I86 S90 V91 T92 | I86-S88 PolarHBondContact O-N 3.35Å; I86-S88 VanDerWaalsContact O-N 3.08Å; S88-S90 PolarHBondContact O-N 3.32Å; S88-S90 PolarHBondContact OG-N 2.87Å; S88-V91 PolarHBondContact O-N 2.84Å; S88-V91 VanDerWaalsContact O-N 3.14Å; S88-V91 PolarHBondContact OG-N 3.27Å; S88-V91 VanDerWaalsContact OG-N 3.14Å; S88-T92 PolarHBondContact O-N 3.33Å; S88-T92 PolarHBondContact O-OG1 2.77Å | ||
| 89 | T | 80.3 | Confident | 85.5 | Confident | 130 Ų | 130 | 44 Ų | 44 | 80% | 0.798 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.2 | -32.2 | 173.1 | 47.9 | 0 | 0 | 0 | 0 | 112.6 | T92 H93 | T89-T92 PolarHBondContact O-N 3.11Å; T89-H93 WeakPolarHBondContact O-CB 3.42Å; T89-H93 PolarHBondContact O-N 2.84Å |
| 90 | S | 83.8 | Confident | 84 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 172.8 | -161.4 | 0 | 0 | 0 | 0 | 110.9 | S88 T92 H93 E94 | S88-S90 PolarHBondContact O-N 3.32Å; S88-S90 PolarHBondContact OG-N 2.87Å; S90-T92 PolarHBondContact O-N 2.9Å; S90-H93 WeakPolarHBondContact O-CB 3.44Å; S90-H93 PolarHBondContact O-N 3.22Å; S90-H93 VanDerWaalsContact O-N 3.11Å; S90-E94 VanDerWaalsContact C-OE1 3.3Å; S90-E94 WeakPolarHBondContact CB-OE1 3.32Å; S90-E94 WeakPolarHBondContact O-CB 2.99Å; S90-E94 WeakPolarHBondContact O-CG 3.25Å; S90-E94 PolarHBondContact O-N 3.22Å; S90-E94 PolarHBondContact OG-OE1 2.86Å |
| 91 | V | 86.7 | Confident | 82.4 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 111 | I87 S88 H93 E94 I95 | I87-V91 HydrophobicContact CG2-CB 3.9Å; I87-V91 HydrophobicContact CG2-CG1 3.93Å; I87-V91 HydrophobicContact CG2-CG2 3.8Å; S88-V91 PolarHBondContact O-N 2.84Å; S88-V91 VanDerWaalsContact O-N 3.14Å; S88-V91 PolarHBondContact OG-N 3.27Å; S88-V91 VanDerWaalsContact OG-N 3.14Å; V91-H93 VanDerWaalsContact C-N 3.3Å; V91-H93 PolarHBondContact O-N 2.85Å; V91-E94 PolarHBondContact O-N 2.68Å; V91-I95 HydrophobicContact CG1-CD1 3.67Å; V91-I95 HydrophobicContact CG1-CG1 4.32Å; V91-I95 WeakPolarHBondContact O-CB 3.46Å; V91-I95 WeakPolarHBondContact O-CD1 3.16Å; V91-I95 WeakPolarHBondContact O-CG1 3.43Å; V91-I95 PolarHBondContact O-N 3.06Å |
| 92 | T | 86 | Confident | 80.7 | Confident | 14 Ų | 14 | 65 Ų | 65 | 9% | 0.086 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 174 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | S85 S88 T89 S90 R96 P170 | S85-T92 PolarHBondContact O-OG1 3.47Å; S88-T92 PolarHBondContact O-N 3.33Å; S88-T92 PolarHBondContact O-OG1 2.77Å; T89-T92 PolarHBondContact O-N 3.11Å; S90-T92 PolarHBondContact O-N 2.9Å; T92-R96 PolarHBondContact O-N 2.7Å; T92-P170 HydrophobicContact CG2-CB 4.12Å; T92-P170 HydrophobicContact CG2-CG 3.47Å; T92-P170 VanDerWaalsContact CG2-CG 3.47Å |
| 93 | H | 84.1 | Confident | 79.2 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.9 | -49.4 | 178.6 | -169 | 101 | 0 | 0 | 0 | 111 | T89 S90 V91 I95 R96 Y97 | T89-H93 WeakPolarHBondContact O-CB 3.42Å; T89-H93 PolarHBondContact O-N 2.84Å; S90-H93 WeakPolarHBondContact O-CB 3.44Å; S90-H93 PolarHBondContact O-N 3.22Å; S90-H93 VanDerWaalsContact O-N 3.11Å; V91-H93 VanDerWaalsContact C-N 3.3Å; V91-H93 PolarHBondContact O-N 2.85Å; H93-I95 VanDerWaalsContact C-N 3.25Å; H93-I95 PolarHBondContact O-N 2.91Å; H93-R96 PolarHBondContact O-N 3.04Å; H93-R96 VanDerWaalsContact O-N 3.08Å; H93-Y97 HydrophobicContact CB-CD2 4.42Å; H93-Y97 AromaticContact CD2-CD2 3.49Å; H93-Y97 VanDerWaalsContact CD2-CD2 3.49Å; H93-Y97 WeakPolarHBondContact CD2-CD2 3.36Å; H93-Y97 AromaticContact CE1-CD2 3.44Å; H93-Y97 VanDerWaalsContact CE1-CD2 3.44Å; H93-Y97 WeakPolarHBondContact CE1-CD2 3.38Å; H93-Y97 AromaticContact CE1-CE2 3.41Å; H93-Y97 VanDerWaalsContact CE1-CE2 3.41Å; H93-Y97 WeakPolarHBondContact CE1-CE2 3.36Å; H93-Y97 AromaticContact CG-CD2 3.57Å; H93-Y97 AromaticContact CG-CE2 3.8Å; H93-Y97 AromaticContact ND1-CD2 3.56Å; H93-Y97 AromaticContact ND1-CE2 3.35Å; H93-Y97 WeakPolarHBondContact ND1-CE2 3.37Å; H93-Y97 AromaticContact NE2-CD2 3.41Å; H93-Y97 WeakPolarHBondContact NE2-CD2 3.48Å; H93-Y97 AromaticContact NE2-CE2 3.89Å; H93-Y97 VanDerWaalsContact O-CD2 3.23Å; H93-Y97 WeakPolarHBondContact O-CD2 3.4Å; H93-Y97 PolarHBondContact O-N 3.24Å |
| 94 | E | 86.7 | Confident | 77.6 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.3 | -32.9 | 176.9 | -67.7 | 160.5 | -133.2 | 0 | 0 | 112.8 | S39 S90 V91 G98 V99 | S39-E94 WeakPolarHBondContact CB-OE2 3.23Å; S39-E94 PolarHBondContact OG-OE2 2.92Å; S90-E94 VanDerWaalsContact C-OE1 3.3Å; S90-E94 WeakPolarHBondContact CB-OE1 3.32Å; S90-E94 WeakPolarHBondContact O-CB 2.99Å; S90-E94 WeakPolarHBondContact O-CG 3.25Å; S90-E94 PolarHBondContact O-N 3.22Å; S90-E94 PolarHBondContact OG-OE1 2.86Å; V91-E94 PolarHBondContact O-N 2.68Å; E94-G98 WeakPolarHBondContact O-CA 3.37Å; E94-G98 PolarHBondContact O-N 3.24Å; E94-V99 HydrophobicContact CB-CG2 4.08Å; E94-V99 HydrophobicContact CG-CG2 4.06Å |
| 95 | I | 87.7 | Confident | 76 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71 | -38.6 | 174.6 | -67.3 | 166 | 0 | 0 | 0 | 111.7 | L42 H43 Y46 F81 V91 H93 I171 | L42-I95 HydrophobicContact CB-CD1 3.85Å; L42-I95 HydrophobicContact CB-CG1 3.6Å; L42-I95 HydrophobicContact CD1-CD1 4.05Å; L42-I95 HydrophobicContact CD1-CG1 4.45Å; H43-I95 WeakPolarHBondContact CA-O 3.23Å; H43-I95 PolarHBondContact ND1-O 3.09Å; Y46-I95 WeakPolarHBondContact CD1-O 3.49Å; Y46-I95 HydrophobicContact CD2-CG2 4.42Å; Y46-I95 HydrophobicContact CG-CG2 3.96Å; F81-I95 HydrophobicContact CZ-CG2 4.44Å; V91-I95 HydrophobicContact CG1-CD1 3.67Å; V91-I95 HydrophobicContact CG1-CG1 4.32Å; V91-I95 WeakPolarHBondContact O-CB 3.46Å; V91-I95 WeakPolarHBondContact O-CD1 3.16Å; V91-I95 WeakPolarHBondContact O-CG1 3.43Å; V91-I95 PolarHBondContact O-N 3.06Å; H93-I95 VanDerWaalsContact C-N 3.25Å; H93-I95 PolarHBondContact O-N 2.91Å; I95-I171 HydrophobicContact CB-CD1 4.14Å; I95-I171 HydrophobicContact CD1-CD1 4.29Å; I95-I171 HydrophobicContact CG2-CD1 3.4Å; I95-I171 VanDerWaalsContact CG2-CD1 3.4Å |
| 96 | R | 84.1 | Confident | 74.5 | Confident | 40 Ų | 40 | 78.7 Ų | 78.7 | 15% | 0.151 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -74.8 | -54.6 | 179.9 | -77 | 174.1 | 166.4 | 168.2 | -6.3 | 112.6 | H43 Y46 T92 H93 Y163 P170 D174 | H43-R96 PolarHBondContact CE1-O 3.2Å; H43-R96 PolarHBondContact ND1-O 2.77Å; Y46-R96 HydrophobicContact CE1-CB 4.45Å; Y46-R96 HydrophobicContact CE1-CG 4.21Å; T92-R96 PolarHBondContact O-N 2.7Å; H93-R96 PolarHBondContact O-N 3.04Å; H93-R96 VanDerWaalsContact O-N 3.08Å; R96-Y163 PolarHBondContact NH2-OH 2.77Å; R96-P170 PolarHBondContact NH2-O 3.16Å; R96-D174 IonicContact CZ-OD1 3.05Å; R96-D174 IonicContact CZ-OD2 2.79Å; R96-D174 IonicContact NE-OD1 3.92Å; R96-D174 IonicContact NE-OD2 3.46Å; R96-D174 PolarHBondContact NE-OD2 2.92Å; R96-D174 IonicContact NH2-OD1 3.17Å; R96-D174 PolarHBondContact NH2-OD1 3.46Å; R96-D174 IonicContact NH2-OD2 3.14Å; R96-D174 PolarHBondContact NH2-OD2 2.72Å |
| 97 | Y | 78.8 | Confident | 73.4 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 24% | 0.243 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -93.7 | -12.5 | -171.2 | -52.8 | -78.9 | 0 | 0 | 0 | 113.5 | H93 V103 I117 S120 | H93-Y97 HydrophobicContact CB-CD2 4.42Å; H93-Y97 AromaticContact CD2-CD2 3.49Å; H93-Y97 VanDerWaalsContact CD2-CD2 3.49Å; H93-Y97 WeakPolarHBondContact CD2-CD2 3.36Å; H93-Y97 AromaticContact CE1-CD2 3.44Å; H93-Y97 VanDerWaalsContact CE1-CD2 3.44Å; H93-Y97 WeakPolarHBondContact CE1-CD2 3.38Å; H93-Y97 AromaticContact CE1-CE2 3.41Å; H93-Y97 VanDerWaalsContact CE1-CE2 3.41Å; H93-Y97 WeakPolarHBondContact CE1-CE2 3.36Å; H93-Y97 AromaticContact CG-CD2 3.57Å; H93-Y97 AromaticContact CG-CE2 3.8Å; H93-Y97 AromaticContact ND1-CD2 3.56Å; H93-Y97 AromaticContact ND1-CE2 3.35Å; H93-Y97 WeakPolarHBondContact ND1-CE2 3.37Å; H93-Y97 AromaticContact NE2-CD2 3.41Å; H93-Y97 WeakPolarHBondContact NE2-CD2 3.48Å; H93-Y97 AromaticContact NE2-CE2 3.89Å; H93-Y97 VanDerWaalsContact O-CD2 3.23Å; H93-Y97 WeakPolarHBondContact O-CD2 3.4Å; H93-Y97 PolarHBondContact O-N 3.24Å; Y97-V103 WeakPolarHBondContact O-CG2 3.4Å; Y97-I117 HydrophobicContact CD1-CG2 4.2Å; Y97-I117 HydrophobicContact CE1-CG2 3.35Å; Y97-I117 WeakPolarHBondContact CE1-O 3.38Å; Y97-I117 WeakPolarHBondContact OH-CG2 3.44Å; Y97-I117 PolarHBondContact OH-O 3.42Å; Y97-S120 PolarHBondContact OH-OG 3.09Å |
| 98 | G | 77.6 | Confident | 72.5 | Confident | 13 Ų | 13 | 78 Ų | 78 | 13% | 0.134 | 39% | 0.387 | C | S | . | . | trans | 77.3 | 176.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | H43 E94 | H43-G98 PolarHBondContact ND1-N 2.82Å; E94-G98 WeakPolarHBondContact O-CA 3.37Å; E94-G98 PolarHBondContact O-N 3.24Å | ||
| 99 | V | 71.6 | Confident | 71.9 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 35% | 0.352 | 40% | 0.401 | S | S | . | . | trans | -111.4 | 108.3 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | E94 R101 N102 | E94-V99 HydrophobicContact CB-CG2 4.08Å; E94-V99 HydrophobicContact CG-CG2 4.06Å; V99-R101 VanDerWaalsContact C-N 3.31Å; V99-R101 PolarHBondContact O-N 3.42Å; V99-N102 PolarHBondContact O-N 2.91Å | ||
| 100 | H | 60.9 | Low | 71.6 | Confident | 187 Ų | 187 | 75.8 Ų | 75.8 | 87% | 0.866 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.3 | -68.2 | 173.7 | -69.9 | -59.8 | 0 | 0 | 0 | 118.4 | ||
| 101 | R | 58.3 | Low | 71.1 | Confident | 240 Ų | 240 | 75.5 Ų | 75.5 | 91% | 0.906 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -11.7 | -175.4 | -64.8 | -174.6 | 178.6 | -174.2 | -0.1 | 114 | V99 | V99-R101 VanDerWaalsContact C-N 3.31Å; V99-R101 PolarHBondContact O-N 3.42Å |
| 102 | N | 58.2 | Low | 70.8 | Confident | 69 Ų | 69 | 80.3 Ų | 80.3 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | trans | -102.6 | 15 | -172.4 | -64.9 | -2.7 | 0 | 0 | 0 | 113.3 | H43 V99 | H43-N102 PolarHBondContact CD2-O 3.09Å; V99-N102 PolarHBondContact O-N 2.91Å | ||
| 103 | V | 59.6 | Low | 70.4 | Confident | 68 Ų | 68 | 82.4 Ų | 82.4 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | trans | -70.3 | 126.7 | -178.9 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | Y97 C105 | Y97-V103 WeakPolarHBondContact O-CG2 3.4Å; V103-C105 PolarHBondContact O-N 2.94Å | ||
| 104 | V | 55.4 | Low | 70.2 | Confident | 25 Ų | 25 | 78.1 Ų | 78.1 | 15% | 0.152 | 37% | 0.37 | C | S | . | . | trans | -89 | 84.8 | 178.9 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | H43 F44 R106 Y107 | H43-V104 PolarHBondContact NE2-N 3.27Å; F44-V104 HydrophobicContact CD1-CG2 3.65Å; F44-V104 HydrophobicContact CE1-CG2 3.41Å; F44-V104 VanDerWaalsContact CE1-CG2 3.41Å; F44-V104 HydrophobicContact CZ-CG2 4.46Å; V104-R106 HydrophobicContact CG1-CB 4.04Å; V104-R106 HydrophobicContact CG1-CG 4.19Å; V104-R106 PolarHBondContact O-N 2.97Å; V104-Y107 HydrophobicContact CB-CD2 4.26Å; V104-Y107 HydrophobicContact CB-CE2 4.1Å; V104-Y107 HydrophobicContact CG1-CD2 3.83Å; V104-Y107 HydrophobicContact CG1-CE2 3.38Å | ||
| 105 | C | 56.2 | Low | 69.4 | Low | 93 Ų | 93 | 77 Ų | 77 | 63% | 0.628 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -61.6 | 0.1 | 178.7 | -46.2 | 0 | 0 | 0 | 0 | 115.3 | V103 Y107 | V103-C105 PolarHBondContact O-N 2.94Å; C105-Y107 PolarHBondContact O-N 3.25Å |
| 106 | R | 53.3 | Low | 68.6 | Low | 213 Ų | 213 | 78.8 Ų | 78.8 | 80% | 0.804 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -74.7 | -5.6 | -176 | -63.9 | -174.7 | 176.6 | 175.3 | -0.5 | 114.5 | V104 | V104-R106 HydrophobicContact CG1-CB 4.04Å; V104-R106 HydrophobicContact CG1-CG 4.19Å; V104-R106 PolarHBondContact O-N 2.97Å |
| 107 | Y | 63.1 | Low | 67.9 | Low | 41 Ų | 41 | 77.3 Ų | 77.3 | 16% | 0.161 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -124.1 | 20.3 | -168.6 | -50 | -50.5 | 0 | 0 | 0 | 113.9 | A47 L51 V104 C105 D109 I110 I111 | A47-Y107 HydrophobicContact CB-CD2 3.9Å; A47-Y107 HydrophobicContact CB-CE2 3.75Å; L51-Y107 HydrophobicContact CD1-CE1 3.75Å; L51-Y107 HydrophobicContact CD2-CD1 4.13Å; L51-Y107 HydrophobicContact CD2-CE1 3.94Å; L51-Y107 HydrophobicContact CG-CD1 4.49Å; L51-Y107 HydrophobicContact CG-CE1 4.07Å; V104-Y107 HydrophobicContact CB-CD2 4.26Å; V104-Y107 HydrophobicContact CB-CE2 4.1Å; V104-Y107 HydrophobicContact CG1-CD2 3.83Å; V104-Y107 HydrophobicContact CG1-CE2 3.38Å; C105-Y107 PolarHBondContact O-N 3.25Å; Y107-D109 PolarHBondContact O-N 3.3Å; Y107-D109 VanDerWaalsContact O-N 3.14Å; Y107-I110 PolarHBondContact O-N 3.05Å; Y107-I111 WeakPolarHBondContact O-CG1 3.26Å; Y107-I111 PolarHBondContact O-N 3.1Å |
| 108 | E | 66.4 | Low | 67 | Low | 113 Ų | 113 | 78.1 Ų | 78.1 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -49.5 | -40.2 | 176.7 | -73.8 | -173.6 | -168.2 | 0 | 0 | 113 | I110 I111 K112 | E108-I110 VanDerWaalsContact C-N 3.29Å; E108-I110 PolarHBondContact O-N 3.37Å; E108-I111 PolarHBondContact O-N 3.05Å; E108-K112 WeakPolarHBondContact O-CB 3.34Å; E108-K112 WeakPolarHBondContact O-CD 3.45Å; E108-K112 WeakPolarHBondContact O-CE 3.29Å; E108-K112 WeakPolarHBondContact O-CG 3.3Å; E108-K112 PolarHBondContact O-N 3.38Å; E108-K112 IonicContact OE2-NZ 2.71Å |
| 109 | D | 70.1 | Confident | 65.7 | Low | 119 Ų | 119 | 82.6 Ų | 82.6 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.2 | -25.8 | -179 | -60.8 | -32.6 | 0 | 0 | 0 | 113.7 | Y107 K112 | Y107-D109 PolarHBondContact O-N 3.3Å; Y107-D109 VanDerWaalsContact O-N 3.14Å; D109-K112 IonicContact OD1-NZ 2.68Å; D109-K112 PolarHBondContact OD1-NZ 3.28Å |
| 110 | I | 74.5 | Confident | 64.1 | Low | 15 Ų | 15 | 83.2 Ų | 83.2 | 8% | 0.077 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -83 | -38.1 | 173.1 | -61.2 | 177.2 | 0 | 0 | 0 | 109.9 | L50 L51 Y107 E108 K112 L113 L178 | L50-I110 HydrophobicContact CB-CG2 4.09Å; L50-I110 HydrophobicContact CD1-CG2 4.41Å; L51-I110 HydrophobicContact CD2-CD1 3.64Å; Y107-I110 PolarHBondContact O-N 3.05Å; E108-I110 VanDerWaalsContact C-N 3.29Å; E108-I110 PolarHBondContact O-N 3.37Å; I110-K112 VanDerWaalsContact C-N 3.31Å; I110-K112 PolarHBondContact O-N 3.35Å; I110-L113 WeakPolarHBondContact O-CB 3.35Å; I110-L113 PolarHBondContact O-N 3.47Å; I110-L113 VanDerWaalsContact O-N 3.08Å; I110-L178 HydrophobicContact CG2-CD1 3.88Å; I110-L178 HydrophobicContact CG2-CD2 3.62Å; I110-L178 HydrophobicContact CG2-CG 4.44Å |
| 111 | I | 74.3 | Confident | 62.9 | Low | 58 Ų | 58 | 80.2 Ų | 80.2 | 30% | 0.297 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68 | -30.8 | 177.2 | -64.3 | 166.2 | 0 | 0 | 0 | 111.1 | Y107 E108 L113 L114 | Y107-I111 WeakPolarHBondContact O-CG1 3.26Å; Y107-I111 PolarHBondContact O-N 3.1Å; E108-I111 PolarHBondContact O-N 3.05Å; I111-L113 PolarHBondContact O-N 3.14Å; I111-L114 CarbonylContact O-C 3.57Å; I111-L114 WeakPolarHBondContact O-CA 3.45Å; I111-L114 PolarHBondContact O-N 3.09Å |
| 112 | K | 79.3 | Confident | 61.8 | Low | 117 Ų | 117 | 76.4 Ų | 76.4 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.1 | 169.7 | -75 | 162.7 | -150.8 | 162.4 | 0 | 113 | E108 D109 I110 L114 | E108-K112 WeakPolarHBondContact O-CB 3.34Å; E108-K112 WeakPolarHBondContact O-CD 3.45Å; E108-K112 WeakPolarHBondContact O-CE 3.29Å; E108-K112 WeakPolarHBondContact O-CG 3.3Å; E108-K112 PolarHBondContact O-N 3.38Å; E108-K112 IonicContact OE2-NZ 2.71Å; D109-K112 IonicContact OD1-NZ 2.68Å; D109-K112 PolarHBondContact OD1-NZ 3.28Å; I110-K112 VanDerWaalsContact C-N 3.31Å; I110-K112 PolarHBondContact O-N 3.35Å; K112-L114 VanDerWaalsContact C-N 3.27Å |
| 113 | L | 79.2 | Confident | 60.7 | Low | 58 Ų | 58 | 80.5 Ų | 80.5 | 30% | 0.304 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -4.1 | 172.6 | -56.6 | 174.5 | 0 | 0 | 0 | 113 | I110 I111 P115 L178 R181 L182 | I110-L113 WeakPolarHBondContact O-CB 3.35Å; I110-L113 PolarHBondContact O-N 3.47Å; I110-L113 VanDerWaalsContact O-N 3.08Å; I111-L113 PolarHBondContact O-N 3.14Å; L113-P115 WeakPolarHBondContact O-CD 3.28Å; L113-L178 HydrophobicContact CB-CD1 3.97Å; L113-L178 HydrophobicContact CD1-CD1 3.96Å; L113-R181 WeakPolarHBondContact O-CD 3.33Å; L113-R181 PolarHBondContact O-NH1 3.45Å; L113-L182 HydrophobicContact CD1-CD2 3.51Å; L113-L182 HydrophobicContact CD1-CG 4.1Å |
| 114 | L | 78.9 | Confident | 59.2 | Low | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 44% | 0.441 | C | S | . | . | trans | -120.1 | 56.5 | 177.5 | -64.7 | 170 | 0 | 0 | 0 | 111.2 | L50 I111 K112 H116 I117 D174 N177 L178 | L50-L114 HydrophobicContact CD1-CD1 4.43Å; L50-L114 HydrophobicContact CD2-CD1 4.05Å; I111-L114 CarbonylContact O-C 3.57Å; I111-L114 WeakPolarHBondContact O-CA 3.45Å; I111-L114 PolarHBondContact O-N 3.09Å; K112-L114 VanDerWaalsContact C-N 3.27Å; L114-H116 PolarHBondContact O-N 2.84Å; L114-I117 HydrophobicContact CB-CD1 3.74Å; L114-I117 HydrophobicContact CB-CG1 4.02Å; L114-I117 HydrophobicContact CD1-CD1 3.91Å; L114-I117 HydrophobicContact CG-CD1 4.38Å; L114-I117 VanDerWaalsContact O-CB 3.27Å; L114-I117 WeakPolarHBondContact O-CB 3.39Å; L114-I117 PolarHBondContact O-N 2.8Å; L114-D174 HydrophobicContact CD1-CB 4.43Å; L114-D174 WeakPolarHBondContact CD2-O 3.28Å; L114-N177 HydrophobicContact CD2-CB 4.12Å; L114-L178 HydrophobicContact CD1-CB 4.45Å; L114-L178 HydrophobicContact CD2-CB 4.12Å; L114-L178 HydrophobicContact CG-CB 4.5Å | ||
| 115 | P | 70.2 | Confident | 58.1 | Low | 29 Ų | 29 | 88.4 Ų | 88.4 | 19% | 0.188 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.3 | -19.9 | -174.2 | 25 | -35.2 | 0 | 0 | 0 | 114.2 | L113 I117 S118 I119 I156 | L113-P115 WeakPolarHBondContact O-CD 3.28Å; P115-I117 PolarHBondContact O-N 3.31Å; P115-S118 WeakPolarHBondContact O-CA 3.22Å; P115-S118 WeakPolarHBondContact O-CB 3.2Å; P115-S118 PolarHBondContact O-N 2.92Å; P115-I119 HydrophobicContact CB-CD1 4.34Å; P115-I119 WeakPolarHBondContact O-CD1 3.46Å; P115-I119 WeakPolarHBondContact O-CG1 3.47Å; P115-I119 PolarHBondContact O-N 3.03Å; P115-I156 HydrophobicContact CG-CD1 3.86Å; P115-I156 HydrophobicContact CG-CG2 4.48Å |
| 116 | H | 70.3 | Confident | 56.6 | Low | 36 Ų | 36 | 90.9 Ų | 90.9 | 17% | 0.167 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.8 | -20.5 | 170.7 | 58.4 | -116.2 | 0 | 0 | 0 | 113.2 | L114 Y163 D174 | L114-H116 PolarHBondContact O-N 2.84Å; H116-Y163 HydrophobicContact CB-CD2 4.4Å; H116-Y163 HydrophobicContact CB-CE2 4.11Å; H116-Y163 AromaticContact CD2-CE2 3.5Å; H116-Y163 VanDerWaalsContact CD2-CE2 3.5Å; H116-Y163 WeakPolarHBondContact CD2-CE2 3.35Å; H116-Y163 AromaticContact CD2-CZ 3.73Å; H116-Y163 AromaticContact CE1-CE2 3.91Å; H116-Y163 AromaticContact CG-CE2 3.57Å; H116-Y163 AromaticContact ND1-CE2 3.81Å; H116-Y163 AromaticContact NE2-CE2 3.78Å; H116-Y163 AromaticContact NE2-CZ 3.77Å; H116-Y163 PolarHBondContact NE2-OH 3.31Å; H116-Y163 VanDerWaalsContact NE2-OH 3.09Å; H116-D174 IonicContact CD2-OD1 2.7Å; H116-D174 IonicContact NE2-OD1 3.2Å; H116-D174 PolarHBondContact NE2-OD1 2.95Å |
| 117 | I | 69.9 | Low | 55.3 | Low | 9 Ų | 9 | 86.2 Ų | 86.2 | 5% | 0.046 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -79.9 | -34.8 | 169.7 | -54.7 | -175.6 | 0 | 0 | 0 | 109.9 | Y46 Y97 L114 P115 | Y46-I117 WeakPolarHBondContact OH-CD1 3.21Å; Y97-I117 HydrophobicContact CD1-CG2 4.2Å; Y97-I117 HydrophobicContact CE1-CG2 3.35Å; Y97-I117 WeakPolarHBondContact CE1-O 3.38Å; Y97-I117 WeakPolarHBondContact OH-CG2 3.44Å; Y97-I117 PolarHBondContact OH-O 3.42Å; L114-I117 HydrophobicContact CB-CD1 3.74Å; L114-I117 HydrophobicContact CB-CG1 4.02Å; L114-I117 HydrophobicContact CD1-CD1 3.91Å; L114-I117 HydrophobicContact CG-CD1 4.38Å; L114-I117 VanDerWaalsContact O-CB 3.27Å; L114-I117 WeakPolarHBondContact O-CB 3.39Å; L114-I117 PolarHBondContact O-N 2.8Å; P115-I117 PolarHBondContact O-N 3.31Å |
| 118 | S | 59.9 | Low | 53.5 | Low | 80 Ų | 80 | 93.2 Ų | 93.2 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.7 | -31.5 | 178.3 | -51.1 | 0 | 0 | 0 | 0 | 113.9 | P115 S120 | P115-S118 WeakPolarHBondContact O-CA 3.22Å; P115-S118 WeakPolarHBondContact O-CB 3.2Å; P115-S118 PolarHBondContact O-N 2.92Å; S118-S120 PolarHBondContact O-N 3.23Å |
| 119 | I | 49.8 | Very low | 51.7 | Low | 107 Ų | 107 | 96.5 Ų | 96.5 | 55% | 0.549 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -78.9 | -17 | -169.4 | -71.1 | 161.7 | 0 | 0 | 0 | 113.6 | P115 N121 | P115-I119 HydrophobicContact CB-CD1 4.34Å; P115-I119 WeakPolarHBondContact O-CD1 3.46Å; P115-I119 WeakPolarHBondContact O-CG1 3.47Å; P115-I119 PolarHBondContact O-N 3.03Å; I119-N121 PolarHBondContact O-N 3.35Å |
| 120 | S | 39.3 | Very low | 49.5 | Very low | 70 Ų | 70 | 99.2 Ų | 99.2 | 49% | 0.49 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 11.3 | -165.8 | 74.1 | 0 | 0 | 0 | 0 | 116.9 | Y97 S118 | Y97-S120 PolarHBondContact OH-OG 3.09Å; S118-S120 PolarHBondContact O-N 3.23Å |
| 121 | N | 35.6 | Very low | 47.3 | Very low | 125 Ų | 125 | 104.8 Ų | 104.8 | 67% | 0.668 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | -10.2 | -169.3 | -98.7 | 26.9 | 0 | 0 | 0 | 117 | I119 | I119-N121 PolarHBondContact O-N 3.35Š|
| 122 | E | 34.7 | Very low | 45.2 | Very low | 159 Ų | 159 | 110.3 Ų | 110.3 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -103.9 | -23 | -175.7 | -63 | -156.5 | 147.9 | 0 | 0 | 115.1 | D124 S125 | E122-D124 VanDerWaalsContact C-N 3.27Å; E122-D124 PolarHBondContact O-N 3.19Å; E122-D124 VanDerWaalsContact O-N 3.13Å; E122-S125 WeakPolarHBondContact O-CB 3.21Å; E122-S125 PolarHBondContact O-N 3.43Å; E122-S125 VanDerWaalsContact O-N 3.08Å; E122-S125 PolarHBondContact O-OG 3.26Å |
| 123 | N | 34.5 | Very low | 42.8 | Very low | 155 Ų | 155 | 113.6 Ų | 113.6 | 83% | 0.829 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -9.8 | -170.9 | -78.9 | -11.5 | 0 | 0 | 0 | 116.3 | S125 | N123-S125 VanDerWaalsContact C-N 3.3Š|
| 124 | D | 28.5 | Very low | 40.7 | Very low | 172 Ų | 172 | 122 Ų | 122 | 92% | 0.92 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 1.6 | 172 | -92 | -20.7 | 0 | 0 | 0 | 113.1 | E122 | E122-D124 VanDerWaalsContact C-N 3.27Å; E122-D124 PolarHBondContact O-N 3.19Å; E122-D124 VanDerWaalsContact O-N 3.13Å |
| 125 | S | 31.6 | Very low | 38.3 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -94.5 | 106.2 | -178.5 | -41.7 | 0 | 0 | 0 | 0 | 112 | E122 N123 C127 | E122-S125 WeakPolarHBondContact O-CB 3.21Å; E122-S125 PolarHBondContact O-N 3.43Å; E122-S125 VanDerWaalsContact O-N 3.08Å; E122-S125 PolarHBondContact O-OG 3.26Å; N123-S125 VanDerWaalsContact C-N 3.3Å; S125-C127 PolarHBondContact O-N 3.08Å |
| 126 | T | 25.8 | Very low | 36.6 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | trans | -69.8 | 94.5 | 179.6 | 45.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 127 | C | 25.4 | Very low | 34.7 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | trans | -124.7 | 92 | 167.7 | -89.9 | 0 | 0 | 0 | 0 | 113 | S125 Q129 | S125-C127 PolarHBondContact O-N 3.08Å; C127-Q129 PolarHBondContact O-N 3.25Å | ||
| 128 | Q | 25.5 | Very low | 33 | Very low | 189 Ų | 189 | 141.9 Ų | 141.9 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | -68.3 | 120.2 | 156.7 | -64.9 | 173.9 | -6.6 | 0 | 0 | 108.9 | ||||
| 129 | Q | 28.1 | Very low | 31.7 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -153 | 154.1 | 158 | -117.7 | 140.3 | 107.1 | 0 | 0 | 110.8 | C127 | C127-Q129 PolarHBondContact O-N 3.25Š| ||
| 130 | Q | 24.4 | Very low | 30.9 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -94.8 | 149.9 | -154.6 | -68.9 | 167.7 | -29 | 0 | 0 | 112.4 | E132 | Q130-E132 PolarHBondContact O-N 2.77Š| ||
| 131 | P | 27.8 | Very low | 30.8 | Very low | 131 Ų | 131 | 148.9 Ų | 148.9 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -74.6 | 92.6 | 178.1 | 30.5 | -34.6 | 0 | 0 | 0 | 110.8 | ||||
| 132 | E | 30.9 | Very low | 30.7 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -71.2 | 133 | 169 | -71.5 | -155.5 | 143.2 | 0 | 0 | 111.3 | Q130 | Q130-E132 PolarHBondContact O-N 2.77Š| ||
| 133 | K | 28.3 | Very low | 30.6 | Very low | 187 Ų | 187 | 150.5 Ų | 150.5 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -74.3 | 140.4 | 177.7 | -58 | 174.1 | -178 | 178.6 | 0 | 110.4 | ||||
| 134 | R | 35.3 | Very low | 30.6 | Very low | 235 Ų | 235 | 150.2 Ų | 150.2 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -134.8 | 99.8 | 155.8 | -69.5 | -167.3 | -177.4 | -172.4 | 2.5 | 110.3 | ||||
| 135 | D | 29.5 | Very low | 31 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -68.1 | 150.4 | 156 | -47 | -83.7 | 0 | 0 | 0 | 108.9 | ||||
| 136 | G | 33.4 | Very low | 31.2 | Very low | 68 Ų | 68 | 149.4 Ų | 149.4 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 145.6 | 83.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 137 | D | 31.6 | Very low | 31.7 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | 38.7 | 135.9 | 135.5 | -57.7 | -33.6 | 0 | 0 | 0 | 123.7 | ||||
| 138 | T | 32.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 148 Ų | 148 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 57.6 | 104 | 149.5 | 48.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 139 | N | 33.3 | Very low | 32.9 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | 179.8 | 136.4 | 88.8 | -88.7 | -49.6 | 0 | 0 | 0 | 112.5 | M141 | N139-M141 HydrophobicContact CB-CG 4.49Å; N139-M141 PolarHBondContact O-N 2.76Å | |||
| 140 | P | 32.6 | Very low | 33.2 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | trans | -86.9 | 75.7 | 173.6 | 35.4 | -33.4 | 0 | 0 | 0 | 111.1 | ||||
| 141 | M | 37.2 | Very low | 33.8 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | -97.5 | 120.6 | 174.4 | -73 | -149.8 | 70.1 | 0 | 0 | 112.9 | N139 | N139-M141 HydrophobicContact CB-CG 4.49Å; N139-M141 PolarHBondContact O-N 2.76Å | ||
| 142 | E | 33 | Very low | 34.5 | Very low | 151 Ų | 151 | 140 Ų | 140 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 47.7 | 107.9 | 144.8 | -59.3 | -177.4 | 156 | 0 | 0 | 118.4 | N144 | E142-N144 VanDerWaalsContact C-N 3.33Å; E142-N144 PolarHBondContact O-N 3.19Å | ||
| 143 | M | 33.7 | Very low | 34.9 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | trans | -69.1 | 80.4 | 174.4 | -74.1 | -162.3 | -81.1 | 0 | 0 | 113 | N145 | M143-N145 PolarHBondContact O-N 3.06Å; M143-N145 VanDerWaalsContact O-N 3.14Å | ||
| 144 | N | 34.6 | Very low | 35.7 | Very low | 148 Ų | 148 | 133 Ų | 133 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -73.9 | 93.7 | 155.9 | -79.1 | -31.5 | 0 | 0 | 0 | 108.7 | E142 D146 | E142-N144 VanDerWaalsContact C-N 3.33Å; E142-N144 PolarHBondContact O-N 3.19Å; N144-D146 PolarHBondContact O-N 3.41Å | ||
| 145 | N | 36.8 | Very low | 36.5 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -73.8 | 62 | -180 | -68.2 | -38.9 | 0 | 0 | 0 | 112 | M143 P147 | M143-N145 PolarHBondContact O-N 3.06Å; M143-N145 VanDerWaalsContact O-N 3.14Å; N145-P147 WeakPolarHBondContact O-CD 3.49Å | ||
| 146 | D | 36.3 | Very low | 38.5 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 58% | 0.578 | 71% | 0.707 | S | S | * | * | trans | -86.7 | 108.4 | 177.1 | -143.2 | -20.9 | 0 | 0 | 0 | 109 | N144 L148 T149 | N144-D146 PolarHBondContact O-N 3.41Å; D146-L148 PolarHBondContact O-N 3.46Å; D146-T149 PolarHBondContact O-OG1 3.14Å | ||
| 147 | P | 34.8 | Very low | 40.6 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 0.3 | -160.7 | 28.4 | -36.2 | 0 | 0 | 0 | 115.2 | N145 | N145-P147 WeakPolarHBondContact O-CD 3.49Š|
| 148 | L | 39.5 | Very low | 43.1 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 70% | 0.696 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -21.5 | -174.9 | -64.3 | 175.3 | 0 | 0 | 0 | 114.3 | D146 N151 | D146-L148 PolarHBondContact O-N 3.46Å; L148-N151 PolarHBondContact O-ND2 3.14Å |
| 149 | T | 38.2 | Very low | 45.9 | Very low | 129 Ų | 129 | 119.2 Ų | 119.2 | 79% | 0.791 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -88.1 | -8.1 | 179.3 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | D146 N151 | D146-T149 PolarHBondContact O-OG1 3.14Å; T149-N151 VanDerWaalsContact C-N 3.25Å; T149-N151 PolarHBondContact O-N 3.44Å |
| 150 | L | 34.4 | Very low | 48.6 | Very low | 111 Ų | 111 | 113 Ų | 113 | 58% | 0.581 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -79.3 | -4.6 | -176.6 | -153.2 | 69.4 | 0 | 0 | 0 | 113.7 | N152 V154 | L150-N152 VanDerWaalsContact C-N 3.29Å; L150-N152 PolarHBondContact O-N 3.32Å; L150-V154 HydrophobicContact CD2-CG2 3.7Å; L150-V154 HydrophobicContact CG-CG2 3.63Å |
| 151 | N | 37.2 | Very low | 51 | Low | 110 Ų | 110 | 108 Ų | 108 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -67.1 | -15.6 | -168.9 | -77.7 | -30.4 | 0 | 0 | 0 | 116.1 | L148 T149 | L148-N151 PolarHBondContact O-ND2 3.14Å; T149-N151 VanDerWaalsContact C-N 3.25Å; T149-N151 PolarHBondContact O-N 3.44Å |
| 152 | N | 41.2 | Very low | 52.6 | Low | 159 Ų | 159 | 103.6 Ų | 103.6 | 85% | 0.85 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -92.2 | -4.5 | -171.9 | -77 | 7.6 | 0 | 0 | 0 | 115.6 | L150 | L150-N152 VanDerWaalsContact C-N 3.29Å; L150-N152 PolarHBondContact O-N 3.32Å |
| 153 | T | 40.5 | Very low | 54.1 | Low | 136 Ų | 136 | 99.3 Ų | 99.3 | 83% | 0.834 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.6 | -5 | 177.6 | 27.1 | 0 | 0 | 0 | 0 | 115.9 | Q155 | T153-Q155 PolarHBondContact O-N 3.01Š|
| 154 | V | 43.8 | Very low | 55.3 | Low | 78 Ų | 78 | 95.8 Ų | 95.8 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | trans | -67.2 | 123.5 | 171 | 169 | 0 | 0 | 0 | 0 | 109.6 | L150 I156 | L150-V154 HydrophobicContact CD2-CG2 3.7Å; L150-V154 HydrophobicContact CG-CG2 3.63Å; V154-I156 VanDerWaalsContact C-N 3.35Å; V154-I156 PolarHBondContact O-N 3.02Å | ||
| 155 | Q | 53.4 | Low | 56.4 | Low | 190 Ų | 190 | 94.8 Ų | 94.8 | 89% | 0.888 | 52% | 0.522 | S | S | * | . | trans | -65.8 | 94.7 | 168.7 | -70.4 | 179.9 | -20.3 | 0 | 0 | 109.1 | T153 K157 | T153-Q155 PolarHBondContact O-N 3.01Å; Q155-K157 PolarHBondContact O-N 2.83Å; Q155-K157 VanDerWaalsContact O-N 3.14Å | ||
| 156 | I | 69.8 | Low | 57.6 | Low | 80 Ų | 80 | 91.8 Ų | 91.8 | 41% | 0.41 | 50% | 0.501 | S | S | . | . | trans | -62.7 | 115 | 174.9 | -63 | 159 | 0 | 0 | 0 | 107.8 | P115 V154 E158 | P115-I156 HydrophobicContact CG-CD1 3.86Å; P115-I156 HydrophobicContact CG-CG2 4.48Å; V154-I156 VanDerWaalsContact C-N 3.35Å; V154-I156 PolarHBondContact O-N 3.02Å; I156-E158 PolarHBondContact O-N 2.68Å; I156-E158 VanDerWaalsContact O-N 3.12Å | ||
| 157 | K | 78.4 | Confident | 58.8 | Low | 77 Ų | 77 | 95 Ų | 95 | 34% | 0.335 | 51% | 0.509 | S | S | . | . | trans | -58.2 | 117 | 179.2 | -170.2 | 167.6 | 176.2 | 174.7 | 0 | 109.9 | Q155 Y159 R181 E250 Y251 | Q155-K157 PolarHBondContact O-N 2.83Å; Q155-K157 VanDerWaalsContact O-N 3.14Å; K157-Y159 HydrophobicContact CB-CE2 3.99Å; K157-Y159 HydrophobicContact CD-CE1 4.09Å; K157-Y159 HydrophobicContact CD-CE2 4.19Å; K157-Y159 HydrophobicContact CG-CD2 4.31Å; K157-Y159 HydrophobicContact CG-CE1 4.41Å; K157-Y159 HydrophobicContact CG-CE2 3.91Å; K157-Y159 WeakPolarHBondContact O-CD2 3.43Å; K157-R181 PolarHBondContact O-NE 2.99Å; K157-R181 PolarHBondContact O-NH2 3.39Å; K157-E250 VanDerWaalsContact CE-OE2 3.26Å; K157-E250 WeakPolarHBondContact CE-OE2 3.48Å; K157-E250 IonicContact NZ-OE1 2.82Å; K157-E250 PolarHBondContact NZ-OE1 3.37Å; K157-E250 IonicContact NZ-OE2 3.85Å; K157-E250 PolarHBondContact NZ-OE2 2.82Å; K157-Y251 PolarHBondContact NZ-OH 3.2Å | ||
| 158 | E | 84.2 | Confident | 60.5 | Low | 70 Ų | 70 | 94.6 Ų | 94.6 | 33% | 0.327 | 50% | 0.502 | S | S | . | . | trans | -85 | 117.6 | 167.5 | -62.5 | -158.3 | 140.1 | 0 | 0 | 108.6 | I156 S162 S244 | I156-E158 PolarHBondContact O-N 2.68Å; I156-E158 VanDerWaalsContact O-N 3.12Å; E158-S162 WeakPolarHBondContact OE2-CA 3.32Å; E158-S162 WeakPolarHBondContact OE2-CB 3.26Å; E158-S162 PolarHBondContact OE2-OG 2.97Å; E158-S244 PolarHBondContact O-OG 2.8Å; E158-S244 VanDerWaalsContact O-OG 3.1Å | ||
| 159 | Y | 91.3 | Very high | 62.4 | Low | 18 Ų | 18 | 88.3 Ų | 88.3 | 7% | 0.071 | 47% | 0.469 | C | S | . | . | trans | -91.1 | -18.1 | 178.4 | -68.3 | -96.7 | 0 | 0 | 0 | 112 | K157 N177 G180 R181 F185 S244 V247 Y251 | K157-Y159 HydrophobicContact CB-CE2 3.99Å; K157-Y159 HydrophobicContact CD-CE1 4.09Å; K157-Y159 HydrophobicContact CD-CE2 4.19Å; K157-Y159 HydrophobicContact CG-CD2 4.31Å; K157-Y159 HydrophobicContact CG-CE1 4.41Å; K157-Y159 HydrophobicContact CG-CE2 3.91Å; K157-Y159 WeakPolarHBondContact O-CD2 3.43Å; Y159-N177 PolarHBondContact N-OD1 2.98Å; Y159-G180 VanDerWaalsContact CZ-C 3.46Å; Y159-G180 PolarHBondContact OH-O 3.14Å; Y159-R181 HydrophobicContact CD2-CG 4.17Å; Y159-R181 HydrophobicContact CE2-CG 3.78Å; Y159-F185 AromaticContact CD1-CD2 3.5Å; Y159-F185 HydrophobicContact CD1-CD2 3.5Å; Y159-F185 AromaticContact CD1-CE2 3.8Å; Y159-F185 HydrophobicContact CD1-CE2 3.8Å; Y159-F185 HydrophobicContact CE1-CD2 4.02Å; Y159-F185 HydrophobicContact CG-CD2 4.33Å; Y159-F185 HydrophobicContact CG-CE2 4.21Å; Y159-S244 PolarHBondContact O-N 3.13Å; Y159-S244 VanDerWaalsContact O-N 3.09Å; Y159-S244 PolarHBondContact O-OG 3.1Å; Y159-V247 HydrophobicContact CD1-CG2 3.58Å; Y159-V247 HydrophobicContact CG-CG2 4.14Å; Y159-Y251 HydrophobicContact CE1-CE2 4.33Å | ||
| 160 | S | 89.2 | Confident | 64.6 | Low | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.007 | 44% | 0.437 | C | S | . | . | B | Isolated β-bridge | trans | -95.7 | 168.9 | 169.7 | 66.5 | 0 | 0 | 0 | 0 | 111.3 | V173 N177 Y242 S244 | S160-V173 WeakPolarHBondContact OG-CG1 3.35Å; S160-N177 PolarHBondContact OG-ND2 2.92Å; S160-Y242 CarbonylContact C-O 3.52Å; S160-Y242 WeakPolarHBondContact CA-O 3.43Å; S160-Y242 WeakPolarHBondContact CB-O 3.27Å; S160-S244 WeakPolarHBondContact O-CB 3.28Å |
| 161 | I | 82.7 | Confident | 67.2 | Low | 29 Ų | 29 | 77.8 Ų | 77.8 | 15% | 0.149 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 149.9 | 153.4 | 62.3 | -178.8 | 0 | 0 | 0 | 110.7 | Y166 Y242 | I161-Y166 HydrophobicContact CD1-CD2 3.43Å; I161-Y166 VanDerWaalsContact CD1-CD2 3.43Å; I161-Y166 HydrophobicContact CD1-CE2 4.27Å; I161-Y166 HydrophobicContact CD1-CG 3.63Å; I161-Y242 PolarHBondContact N-O 2.74Å |
| 162 | S | 71.5 | Confident | 69.8 | Low | 47 Ų | 47 | 72.6 Ų | 72.6 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 149 | -176.4 | -158.9 | 0 | 0 | 0 | 0 | 112.5 | E158 A164 N165 | E158-S162 WeakPolarHBondContact OE2-CA 3.32Å; E158-S162 WeakPolarHBondContact OE2-CB 3.26Å; E158-S162 PolarHBondContact OE2-OG 2.97Å; S162-A164 PolarHBondContact O-N 3.04Å; S162-A164 VanDerWaalsContact O-N 3.09Å; S162-N165 PolarHBondContact O-N 3.48Å |
| 163 | Y | 63.9 | Low | 72.1 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 24% | 0.243 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -58.1 | -26.4 | -174.2 | -81.8 | -79.8 | 0 | 0 | 0 | 114.9 | R96 H116 N165 P170 V173 D174 | R96-Y163 PolarHBondContact NH2-OH 2.77Å; H116-Y163 HydrophobicContact CB-CD2 4.4Å; H116-Y163 HydrophobicContact CB-CE2 4.11Å; H116-Y163 AromaticContact CD2-CE2 3.5Å; H116-Y163 VanDerWaalsContact CD2-CE2 3.5Å; H116-Y163 WeakPolarHBondContact CD2-CE2 3.35Å; H116-Y163 AromaticContact CD2-CZ 3.73Å; H116-Y163 AromaticContact CE1-CE2 3.91Å; H116-Y163 AromaticContact CG-CE2 3.57Å; H116-Y163 AromaticContact ND1-CE2 3.81Å; H116-Y163 AromaticContact NE2-CE2 3.78Å; H116-Y163 AromaticContact NE2-CZ 3.77Å; H116-Y163 PolarHBondContact NE2-OH 3.31Å; H116-Y163 VanDerWaalsContact NE2-OH 3.09Å; Y163-N165 PolarHBondContact O-N 2.74Å; Y163-P170 HydrophobicContact CE1-CB 4.35Å; Y163-V173 HydrophobicContact CD1-CG1 4.31Å; Y163-V173 HydrophobicContact CD2-CG1 4.31Å; Y163-V173 HydrophobicContact CE1-CB 3.89Å; Y163-V173 HydrophobicContact CE1-CG1 3.66Å; Y163-V173 HydrophobicContact CE2-CG1 3.65Å; Y163-V173 WeakPolarHBondContact OH-CB 3.46Å; Y163-V173 VanDerWaalsContact OH-CG1 3.22Å; Y163-V173 WeakPolarHBondContact OH-CG1 3.31Å; Y163-D174 PolarHBondContact OH-N 3.1Å; Y163-D174 PolarHBondContact OH-OD1 3.41Å |
| 164 | A | 59.7 | Low | 74.4 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 77% | 0.769 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -65.3 | -24.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | S162 | S162-A164 PolarHBondContact O-N 3.04Å; S162-A164 VanDerWaalsContact O-N 3.09Å |
| 165 | N | 57.7 | Low | 76.8 | Confident | 127 Ų | 127 | 55 Ų | 55 | 68% | 0.679 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -98.1 | -2 | -169.2 | -67.4 | -6.4 | 0 | 0 | 0 | 114.2 | S162 Y163 | S162-N165 PolarHBondContact O-N 3.48Å; Y163-N165 PolarHBondContact O-N 2.74Å |
| 166 | Y | 62.6 | Low | 78.7 | Confident | 73 Ų | 73 | 46 Ų | 46 | 29% | 0.286 | 24% | 0.238 | S | C | . | . | trans | -148.3 | 142.5 | -176.3 | -142.6 | -95.1 | 0 | 0 | 0 | 114.2 | I161 D168 Y242 | I161-Y166 HydrophobicContact CD1-CD2 3.43Å; I161-Y166 VanDerWaalsContact CD1-CD2 3.43Å; I161-Y166 HydrophobicContact CD1-CE2 4.27Å; I161-Y166 HydrophobicContact CD1-CG 3.63Å; Y166-D168 HydrophobicContact CD1-CB 4.36Å; Y166-D168 HydrophobicContact CE1-CB 3.69Å; Y166-Y242 HydrophobicContact CD1-CD1 4.1Å; Y166-Y242 AromaticContact CD1-CE1 3.47Å; Y166-Y242 HydrophobicContact CD1-CE1 3.47Å; Y166-Y242 VanDerWaalsContact CD1-CE1 3.47Å; Y166-Y242 HydrophobicContact CE1-CD1 4.07Å; Y166-Y242 AromaticContact CE1-CE1 3.13Å; Y166-Y242 HydrophobicContact CE1-CE1 3.13Å; Y166-Y242 AromaticContact CE1-CZ 3.44Å; Y166-Y242 VanDerWaalsContact CE1-CZ 3.44Å; Y166-Y242 VanDerWaalsContact CE1-OH 3.31Å; Y166-Y242 WeakPolarHBondContact CE1-OH 3.47Å; Y166-Y242 HydrophobicContact CG-CE1 4.34Å; Y166-Y242 AromaticContact CZ-CE1 3.78Å; Y166-Y242 AromaticContact CZ-CZ 3.77Å; Y166-Y242 PolarHBondContact OH-OH 2.72Å | ||
| 167 | K | 61.4 | Low | 79.8 | Confident | 175 Ų | 175 | 42.1 Ų | 42.1 | 76% | 0.761 | 22% | 0.218 | S | C | * | . | trans | -119.1 | -20.1 | -177.1 | -66.5 | -178.3 | 179.3 | 178.1 | 0 | 114 | ||||
| 168 | D | 70.9 | Confident | 80.5 | Confident | 89 Ų | 89 | 38.5 Ų | 38.5 | 48% | 0.476 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -102.2 | 0.2 | -156.9 | -37.1 | -60.7 | 0 | 0 | 0 | 115.1 | Y166 | Y166-D168 HydrophobicContact CD1-CB 4.36Å; Y166-D168 HydrophobicContact CE1-CB 3.69Å |
| 169 | A | 79.5 | Confident | 81.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | trans | -159.1 | 70.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I171 L172 V173 Y242 | A169-I171 PolarHBondContact O-N 2.81Å; A169-L172 HydrophobicContact CB-CB 3.78Å; A169-L172 HydrophobicContact CB-CD2 4.27Å; A169-L172 WeakPolarHBondContact O-CB 3.38Å; A169-L172 PolarHBondContact O-N 3.17Å; A169-L172 VanDerWaalsContact O-N 3.14Å; A169-V173 WeakPolarHBondContact O-CG2 3.45Å; A169-V173 PolarHBondContact O-N 3.33Å; A169-Y242 HydrophobicContact CB-CE1 3.6Å | ||
| 170 | P | 82.7 | Confident | 81.2 | Confident | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -24.5 | -176.6 | 28.1 | -34.7 | 0 | 0 | 0 | 113.7 | I86 T92 R96 Y163 V173 D174 | I86-P170 HydrophobicContact CG2-CG 4.2Å; T92-P170 HydrophobicContact CG2-CB 4.12Å; T92-P170 HydrophobicContact CG2-CG 3.47Å; T92-P170 VanDerWaalsContact CG2-CG 3.47Å; R96-P170 PolarHBondContact NH2-O 3.16Å; Y163-P170 HydrophobicContact CE1-CB 4.35Å; P170-V173 WeakPolarHBondContact O-CB 3.33Å; P170-V173 PolarHBondContact O-N 3.33Å; P170-D174 PolarHBondContact O-N 3.03Å |
| 171 | I | 88.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -75.1 | -34.5 | 175.1 | -65.5 | -171.1 | 0 | 0 | 0 | 111.8 | Y46 F81 I95 A169 V173 D174 F175 | Y46-I171 HydrophobicContact CD2-CD1 4.13Å; Y46-I171 HydrophobicContact CD2-CG1 4.44Å; Y46-I171 HydrophobicContact CD2-CG2 3.61Å; Y46-I171 HydrophobicContact CE2-CG1 4.42Å; Y46-I171 HydrophobicContact CE2-CG2 3.77Å; F81-I171 HydrophobicContact CE1-CD1 4.31Å; F81-I171 HydrophobicContact CE1-CG2 3.99Å; F81-I171 HydrophobicContact CZ-CD1 4.23Å; I95-I171 HydrophobicContact CB-CD1 4.14Å; I95-I171 HydrophobicContact CD1-CD1 4.29Å; I95-I171 HydrophobicContact CG2-CD1 3.4Å; I95-I171 VanDerWaalsContact CG2-CD1 3.4Å; A169-I171 PolarHBondContact O-N 2.81Å; I171-V173 PolarHBondContact O-N 3.41Å; I171-D174 WeakPolarHBondContact O-CB 3.45Å; I171-D174 PolarHBondContact O-N 3Å; I171-D174 VanDerWaalsContact O-N 3.09Å; I171-F175 HydrophobicContact CG2-CD1 4.25Å; I171-F175 HydrophobicContact CG2-CD2 4.47Å; I171-F175 HydrophobicContact CG2-CE1 3.64Å; I171-F175 HydrophobicContact CG2-CE2 3.9Å; I171-F175 HydrophobicContact CG2-CZ 3.44Å; I171-F175 VanDerWaalsContact CG2-CZ 3.44Å; I171-F175 WeakPolarHBondContact O-CG 3.41Å; I171-F175 PolarHBondContact O-N 3.04Å |
| 172 | L | 91.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -34.6 | 172.5 | -178 | 57.3 | 0 | 0 | 0 | 111.3 | F75 P77 H82 A169 D174 F175 I176 C239 Y242 | F75-L172 HydrophobicContact CB-CD1 4.31Å; F75-L172 HydrophobicContact CD1-CD1 3.78Å; P77-L172 HydrophobicContact CB-CD2 3.74Å; P77-L172 HydrophobicContact CG-CD2 4.43Å; H82-L172 PolarHBondContact CE1-N 3.23Å; A169-L172 HydrophobicContact CB-CB 3.78Å; A169-L172 HydrophobicContact CB-CD2 4.27Å; A169-L172 WeakPolarHBondContact O-CB 3.38Å; A169-L172 PolarHBondContact O-N 3.17Å; A169-L172 VanDerWaalsContact O-N 3.14Å; L172-D174 VanDerWaalsContact C-N 3.34Å; L172-F175 PolarHBondContact O-N 3.36Å; L172-I176 HydrophobicContact CD1-CD1 4.3Å; L172-I176 HydrophobicContact CD1-CG1 4.43Å; L172-I176 HydrophobicContact CG-CD1 4.03Å; L172-I176 WeakPolarHBondContact O-CG1 3.12Å; L172-I176 PolarHBondContact O-N 3.36Å; L172-C239 HydrophobicContact CD1-CB 4.25Å; L172-C239 HydrophobicContact CD2-CB 4.05Å; L172-C239 HydrophobicContact CG-CB 4.45Å; L172-Y242 HydrophobicContact CD2-CD1 4.04Å; L172-Y242 HydrophobicContact CD2-CD2 3.7Å; L172-Y242 HydrophobicContact CD2-CE1 4.09Å; L172-Y242 HydrophobicContact CD2-CE2 3.79Å; L172-Y242 HydrophobicContact CD2-CG 3.83Å; L172-Y242 HydrophobicContact CG-CD1 4.44Å; L172-Y242 HydrophobicContact CG-CG 4.37Å |
| 173 | V | 89.5 | Confident | 82.9 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -35 | 173.3 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | S160 Y163 A169 P170 I171 N177 Y242 | S160-V173 WeakPolarHBondContact OG-CG1 3.35Å; Y163-V173 HydrophobicContact CD1-CG1 4.31Å; Y163-V173 HydrophobicContact CD2-CG1 4.31Å; Y163-V173 HydrophobicContact CE1-CB 3.89Å; Y163-V173 HydrophobicContact CE1-CG1 3.66Å; Y163-V173 HydrophobicContact CE2-CG1 3.65Å; Y163-V173 WeakPolarHBondContact OH-CB 3.46Å; Y163-V173 VanDerWaalsContact OH-CG1 3.22Å; Y163-V173 WeakPolarHBondContact OH-CG1 3.31Å; A169-V173 WeakPolarHBondContact O-CG2 3.45Å; A169-V173 PolarHBondContact O-N 3.33Å; P170-V173 WeakPolarHBondContact O-CB 3.33Å; P170-V173 PolarHBondContact O-N 3.33Å; I171-V173 PolarHBondContact O-N 3.41Å; V173-N177 PolarHBondContact O-N 3.29Å; V173-N177 PolarHBondContact O-ND2 3.11Å; V173-Y242 HydrophobicContact CG2-CD1 4.22Å |
| 174 | D | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -48.3 | 170.9 | -57.4 | -18.5 | 0 | 0 | 0 | 110.6 | Y46 R96 L114 H116 Y163 P170 I171 L172 I176 N177 L178 | Y46-D174 HydrophobicContact CE2-CB 4.25Å; Y46-D174 WeakPolarHBondContact CE2-OD2 3.32Å; Y46-D174 PolarHBondContact OH-OD2 3.41Å; R96-D174 IonicContact CZ-OD1 3.05Å; R96-D174 IonicContact CZ-OD2 2.79Å; R96-D174 IonicContact NE-OD1 3.92Å; R96-D174 IonicContact NE-OD2 3.46Å; R96-D174 PolarHBondContact NE-OD2 2.92Å; R96-D174 IonicContact NH2-OD1 3.17Å; R96-D174 PolarHBondContact NH2-OD1 3.46Å; R96-D174 IonicContact NH2-OD2 3.14Å; R96-D174 PolarHBondContact NH2-OD2 2.72Å; L114-D174 HydrophobicContact CD1-CB 4.43Å; L114-D174 WeakPolarHBondContact CD2-O 3.28Å; H116-D174 IonicContact CD2-OD1 2.7Å; H116-D174 IonicContact NE2-OD1 3.2Å; H116-D174 PolarHBondContact NE2-OD1 2.95Å; Y163-D174 PolarHBondContact OH-N 3.1Å; Y163-D174 PolarHBondContact OH-OD1 3.41Å; P170-D174 PolarHBondContact O-N 3.03Å; I171-D174 WeakPolarHBondContact O-CB 3.45Å; I171-D174 PolarHBondContact O-N 3Å; I171-D174 VanDerWaalsContact O-N 3.09Å; L172-D174 VanDerWaalsContact C-N 3.34Å; D174-I176 PolarHBondContact O-N 3.4Å; D174-N177 PolarHBondContact O-N 2.98Å; D174-L178 WeakPolarHBondContact O-CB 3.48Å; D174-L178 PolarHBondContact O-N 3.43Å |
| 175 | F | 94 | Very high | 86.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | -176.9 | -66.1 | -7.1 | 0 | 0 | 0 | 112.6 | F29 Y46 L50 I53 L74 F75 F81 H82 I171 L172 L178 F179 | F29-F175 HydrophobicContact CE1-CE2 4.16Å; F29-F175 HydrophobicContact CZ-CE2 4.05Å; F29-F175 HydrophobicContact CZ-CZ 4.38Å; Y46-F175 AromaticContact CD2-CE1 3.81Å; Y46-F175 HydrophobicContact CD2-CE1 3.81Å; Y46-F175 HydrophobicContact CD2-CZ 4.24Å; Y46-F175 AromaticContact CE2-CE1 3.9Å; Y46-F175 HydrophobicContact CE2-CE1 3.9Å; L50-F175 HydrophobicContact CD2-CD1 3.93Å; L50-F175 HydrophobicContact CD2-CE1 3.9Å; I53-F175 HydrophobicContact CD1-CB 3.82Å; I53-F175 HydrophobicContact CD1-CD2 4.42Å; I53-F175 HydrophobicContact CD1-CG 4.14Å; I53-F175 HydrophobicContact CG1-CB 3.89Å; I53-F175 HydrophobicContact CG1-CD1 4.09Å; I53-F175 HydrophobicContact CG1-CD2 4.43Å; I53-F175 HydrophobicContact CG1-CG 3.89Å; L74-F175 HydrophobicContact CD2-CE2 4.35Å; F75-F175 HydrophobicContact CE1-CB 4.22Å; F81-F175 HydrophobicContact CE1-CZ 4.35Å; H82-F175 AromaticContact CE1-CD2 3.76Å; H82-F175 AromaticContact CE1-CE2 3.55Å; H82-F175 AromaticContact NE2-CD2 3.97Å; H82-F175 AromaticContact NE2-CE2 3.83Å; I171-F175 HydrophobicContact CG2-CD1 4.25Å; I171-F175 HydrophobicContact CG2-CD2 4.47Å; I171-F175 HydrophobicContact CG2-CE1 3.64Å; I171-F175 HydrophobicContact CG2-CE2 3.9Å; I171-F175 HydrophobicContact CG2-CZ 3.44Å; I171-F175 VanDerWaalsContact CG2-CZ 3.44Å; I171-F175 WeakPolarHBondContact O-CG 3.41Å; I171-F175 PolarHBondContact O-N 3.04Å; L172-F175 PolarHBondContact O-N 3.36Å; F175-L178 PolarHBondContact O-N 3Å; F175-F179 WeakPolarHBondContact O-CB 3.48Å; F175-F179 PolarHBondContact O-N 2.87Å |
| 176 | I | 94.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.3 | -71.8 | 166.3 | 0 | 0 | 0 | 111.1 | F75 L172 D174 G180 F185 C239 Y242 L243 | F75-I176 HydrophobicContact CD1-CG1 4.02Å; F75-I176 HydrophobicContact CE1-CG1 3.83Å; L172-I176 HydrophobicContact CD1-CD1 4.3Å; L172-I176 HydrophobicContact CD1-CG1 4.43Å; L172-I176 HydrophobicContact CG-CD1 4.03Å; L172-I176 WeakPolarHBondContact O-CG1 3.12Å; L172-I176 PolarHBondContact O-N 3.36Å; D174-I176 PolarHBondContact O-N 3.4Å; I176-G180 PolarHBondContact O-N 3.15Å; I176-F185 HydrophobicContact CG2-CZ 4.34Å; I176-C239 HydrophobicContact CD1-CB 4.16Å; I176-Y242 VanDerWaalsContact CD1-CB 3.43Å; I176-Y242 HydrophobicContact CD1-CG 4.49Å; I176-L243 HydrophobicContact CD1-CD2 4.26Å; I176-L243 HydrophobicContact CG1-CD2 4.35Å; I176-L243 HydrophobicContact CG2-CD2 3.85Å |
| 177 | N | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | 178.6 | -80.1 | -60.5 | 0 | 0 | 0 | 112.7 | L114 Y159 S160 V173 D174 R181 | L114-N177 HydrophobicContact CD2-CB 4.12Å; Y159-N177 PolarHBondContact N-OD1 2.98Å; S160-N177 PolarHBondContact OG-ND2 2.92Å; V173-N177 PolarHBondContact O-N 3.29Å; V173-N177 PolarHBondContact O-ND2 3.11Å; D174-N177 PolarHBondContact O-N 2.98Å; N177-R181 WeakPolarHBondContact O-CB 3.06Å; N177-R181 WeakPolarHBondContact O-CD 3.33Å; N177-R181 WeakPolarHBondContact O-CG 3.47Å; N177-R181 PolarHBondContact O-N 3.29Å; N177-R181 PolarHBondContact OD1-NH2 2.97Å |
| 178 | L | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.2 | -45.9 | 176.2 | -178.1 | 60.1 | 0 | 0 | 0 | 111.4 | L50 I53 I110 L113 L114 D174 F175 G180 R181 L182 | L50-L178 HydrophobicContact CB-CD2 4Å; L50-L178 HydrophobicContact CD2-CD2 3.85Å; L50-L178 HydrophobicContact CG-CD2 4.48Å; I53-L178 HydrophobicContact CB-CD2 4.15Å; I53-L178 HydrophobicContact CG2-CB 3.93Å; I53-L178 HydrophobicContact CG2-CD2 3.92Å; I53-L178 HydrophobicContact CG2-CG 3.84Å; I110-L178 HydrophobicContact CG2-CD1 3.88Å; I110-L178 HydrophobicContact CG2-CD2 3.62Å; I110-L178 HydrophobicContact CG2-CG 4.44Å; L113-L178 HydrophobicContact CB-CD1 3.97Å; L113-L178 HydrophobicContact CD1-CD1 3.96Å; L114-L178 HydrophobicContact CD1-CB 4.45Å; L114-L178 HydrophobicContact CD2-CB 4.12Å; L114-L178 HydrophobicContact CG-CB 4.5Å; D174-L178 WeakPolarHBondContact O-CB 3.48Å; D174-L178 PolarHBondContact O-N 3.43Å; F175-L178 PolarHBondContact O-N 3Å; L178-G180 VanDerWaalsContact C-N 3.31Å; L178-G180 PolarHBondContact O-N 2.87Å; L178-R181 PolarHBondContact O-N 2.76Å; L178-L182 HydrophobicContact CD1-CD1 3.74Å; L178-L182 HydrophobicContact CD1-CG 4.03Å; L178-L182 HydrophobicContact CG-CD1 3.89Å; L178-L182 WeakPolarHBondContact O-CB 3.28Å; L178-L182 WeakPolarHBondContact O-CG 3.35Å; L178-L182 PolarHBondContact O-N 3.2Å |
| 179 | F | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 177.7 | -174.4 | -95.5 | 0 | 0 | 0 | 111.7 | I53 C56 A60 F75 F175 G184 F185 F236 | I53-F179 HydrophobicContact CG2-CB 3.84Å; I53-F179 HydrophobicContact CG2-CD2 4.49Å; C56-F179 HydrophobicContact CB-CD2 4.36Å; C56-F179 HydrophobicContact CB-CE2 4.14Å; A60-F179 HydrophobicContact CB-CE2 4.19Å; A60-F179 HydrophobicContact CB-CZ 3.81Å; F75-F179 HydrophobicContact CE2-CD2 4.27Å; F75-F179 HydrophobicContact CZ-CB 3.93Å; F75-F179 AromaticContact CZ-CD2 4Å; F75-F179 HydrophobicContact CZ-CD2 4Å; F75-F179 AromaticContact CZ-CG 3.92Å; F75-F179 HydrophobicContact CZ-CG 3.92Å; F175-F179 WeakPolarHBondContact O-CB 3.48Å; F175-F179 PolarHBondContact O-N 2.87Å; F179-G184 WeakPolarHBondContact O-CA 3.33Å; F179-G184 PolarHBondContact O-N 2.87Å; F179-F185 HydrophobicContact CD1-CD1 4.02Å; F179-F185 HydrophobicContact CD1-CD2 4.04Å; F179-F185 AromaticContact CD1-CE1 3.84Å; F179-F185 HydrophobicContact CD1-CE1 3.84Å; F179-F185 AromaticContact CD1-CE2 3.85Å; F179-F185 HydrophobicContact CD1-CE2 3.85Å; F179-F185 HydrophobicContact CD1-CG 4.11Å; F179-F185 AromaticContact CD1-CZ 3.75Å; F179-F185 HydrophobicContact CD1-CZ 3.75Å; F179-F185 AromaticContact CE1-CD1 3.8Å; F179-F185 HydrophobicContact CE1-CD1 3.8Å; F179-F185 AromaticContact CE1-CE1 3.89Å; F179-F185 HydrophobicContact CE1-CE1 3.89Å; F179-F185 HydrophobicContact CE1-CG 4.11Å; F179-F185 HydrophobicContact CE1-CZ 4.29Å; F179-F236 HydrophobicContact CD1-CE1 4.26Å; F179-F236 HydrophobicContact CD1-CZ 4.48Å; F179-F236 AromaticContact CE1-CE1 3.86Å; F179-F236 HydrophobicContact CE1-CE1 3.86Å; F179-F236 AromaticContact CE1-CZ 3.68Å; F179-F236 HydrophobicContact CE1-CZ 3.68Å; F179-F236 HydrophobicContact CE2-CZ 4.38Å; F179-F236 HydrophobicContact CZ-CE1 4.21Å; F179-F236 AromaticContact CZ-CZ 3.63Å; F179-F236 HydrophobicContact CZ-CZ 3.63Å |
| 180 | G | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y159 I176 L178 L182 N183 F185 | Y159-G180 VanDerWaalsContact CZ-C 3.46Å; Y159-G180 PolarHBondContact OH-O 3.14Å; I176-G180 PolarHBondContact O-N 3.15Å; L178-G180 VanDerWaalsContact C-N 3.31Å; L178-G180 PolarHBondContact O-N 2.87Å; G180-L182 PolarHBondContact O-N 3.22Å; G180-N183 WeakPolarHBondContact O-CA 3.45Å; G180-N183 PolarHBondContact O-N 3.03Å; G180-F185 VanDerWaalsContact CA-CD2 3.47Å |
| 181 | R | 92.5 | Very high | 93.6 | Very high | 43 Ų | 43 | 19.3 Ų | 19.3 | 16% | 0.162 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.7 | -17.5 | -179.8 | -69.4 | 169 | -170.7 | 157.1 | 6.6 | 113.7 | L113 K157 Y159 N177 L178 N183 | L113-R181 WeakPolarHBondContact O-CD 3.33Å; L113-R181 PolarHBondContact O-NH1 3.45Å; K157-R181 PolarHBondContact O-NE 2.99Å; K157-R181 PolarHBondContact O-NH2 3.39Å; Y159-R181 HydrophobicContact CD2-CG 4.17Å; Y159-R181 HydrophobicContact CE2-CG 3.78Å; N177-R181 WeakPolarHBondContact O-CB 3.06Å; N177-R181 WeakPolarHBondContact O-CD 3.33Å; N177-R181 WeakPolarHBondContact O-CG 3.47Å; N177-R181 PolarHBondContact O-N 3.29Å; N177-R181 PolarHBondContact OD1-NH2 2.97Å; L178-R181 PolarHBondContact O-N 2.76Å; R181-N183 VanDerWaalsContact C-N 3.32Å |
| 182 | L | 92.6 | Very high | 93.8 | Very high | 30 Ų | 30 | 19.3 Ų | 19.3 | 16% | 0.157 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 14.1 | 169.5 | -66.8 | 175.2 | 0 | 0 | 0 | 113.6 | E54 S57 L113 L178 G180 G184 R187 | E54-L182 HydrophobicContact CB-CD1 3.82Å; E54-L182 HydrophobicContact CG-CD1 4.01Å; S57-L182 VanDerWaalsContact OG-CB 3.24Å; S57-L182 WeakPolarHBondContact OG-CB 3.45Å; S57-L182 WeakPolarHBondContact OG-CD1 3.44Å; L113-L182 HydrophobicContact CD1-CD2 3.51Å; L113-L182 HydrophobicContact CD1-CG 4.1Å; L178-L182 HydrophobicContact CD1-CD1 3.74Å; L178-L182 HydrophobicContact CD1-CG 4.03Å; L178-L182 HydrophobicContact CG-CD1 3.89Å; L178-L182 WeakPolarHBondContact O-CB 3.28Å; L178-L182 WeakPolarHBondContact O-CG 3.35Å; L178-L182 PolarHBondContact O-N 3.2Å; G180-L182 PolarHBondContact O-N 3.22Å; L182-G184 VanDerWaalsContact C-N 3.28Å; L182-G184 PolarHBondContact O-N 2.85Å; L182-R187 PolarHBondContact O-NE 2.98Å |
| 183 | N | 93.9 | Very high | 93.7 | Very high | 80 Ų | 80 | 22.6 Ų | 22.6 | 43% | 0.428 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 26.1 | -178.7 | -56.5 | 111 | 0 | 0 | 0 | 114.6 | G180 R181 F185 D186 R187 | G180-N183 WeakPolarHBondContact O-CA 3.45Å; G180-N183 PolarHBondContact O-N 3.03Å; R181-N183 VanDerWaalsContact C-N 3.32Å; N183-F185 PolarHBondContact O-N 3.12Å; N183-D186 VanDerWaalsContact CA-OD2 3.26Å; N183-D186 WeakPolarHBondContact CA-OD2 3.41Å; N183-D186 HydrophobicContact CB-CB 4.15Å; N183-D186 VanDerWaalsContact CB-OD2 3.29Å; N183-D186 WeakPolarHBondContact CB-OD2 3.25Å; N183-D186 PolarHBondContact ND2-OD2 2.92Å; N183-D186 PolarHBondContact O-N 2.9Å; N183-R187 WeakPolarHBondContact O-CB 3.32Å; N183-R187 VanDerWaalsContact O-CD 3.28Å; N183-R187 WeakPolarHBondContact O-CD 3.49Å; N183-R187 WeakPolarHBondContact O-CG 3.39Å; N183-R187 PolarHBondContact O-N 3.16Å |
| 184 | G | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F179 L182 R187 L188 | F179-G184 WeakPolarHBondContact O-CA 3.33Å; F179-G184 PolarHBondContact O-N 2.87Å; L182-G184 VanDerWaalsContact C-N 3.28Å; L182-G184 PolarHBondContact O-N 2.85Å; G184-R187 PolarHBondContact O-N 3.09Å; G184-L188 WeakPolarHBondContact O-CB 3.34Å; G184-L188 PolarHBondContact O-N 3.19Å |
| 185 | F | 97.4 | Very high | 93 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.3 | -36.2 | 176.6 | -62.3 | -63.8 | 0 | 0 | 0 | 112.9 | Y159 I176 F179 G180 N183 L188 K189 F236 L243 V247 Y251 F252 | Y159-F185 AromaticContact CD1-CD2 3.5Å; Y159-F185 HydrophobicContact CD1-CD2 3.5Å; Y159-F185 AromaticContact CD1-CE2 3.8Å; Y159-F185 HydrophobicContact CD1-CE2 3.8Å; Y159-F185 HydrophobicContact CE1-CD2 4.02Å; Y159-F185 HydrophobicContact CG-CD2 4.33Å; Y159-F185 HydrophobicContact CG-CE2 4.21Å; I176-F185 HydrophobicContact CG2-CZ 4.34Å; F179-F185 HydrophobicContact CD1-CD1 4.02Å; F179-F185 HydrophobicContact CD1-CD2 4.04Å; F179-F185 AromaticContact CD1-CE1 3.84Å; F179-F185 HydrophobicContact CD1-CE1 3.84Å; F179-F185 AromaticContact CD1-CE2 3.85Å; F179-F185 HydrophobicContact CD1-CE2 3.85Å; F179-F185 HydrophobicContact CD1-CG 4.11Å; F179-F185 AromaticContact CD1-CZ 3.75Å; F179-F185 HydrophobicContact CD1-CZ 3.75Å; F179-F185 AromaticContact CE1-CD1 3.8Å; F179-F185 HydrophobicContact CE1-CD1 3.8Å; F179-F185 AromaticContact CE1-CE1 3.89Å; F179-F185 HydrophobicContact CE1-CE1 3.89Å; F179-F185 HydrophobicContact CE1-CG 4.11Å; F179-F185 HydrophobicContact CE1-CZ 4.29Å; G180-F185 VanDerWaalsContact CA-CD2 3.47Å; N183-F185 PolarHBondContact O-N 3.12Å; F185-L188 PolarHBondContact O-N 3.36Å; F185-K189 VanDerWaalsContact O-CB 3.28Å; F185-K189 WeakPolarHBondContact O-CB 3.34Å; F185-K189 PolarHBondContact O-N 3.39Å; F185-F236 AromaticContact CE1-CD1 3.84Å; F185-F236 HydrophobicContact CE1-CD1 3.84Å; F185-F236 AromaticContact CE1-CE1 3.73Å; F185-F236 HydrophobicContact CE1-CE1 3.73Å; F185-F236 HydrophobicContact CZ-CE1 4.4Å; F185-L243 HydrophobicContact CE1-CD2 4.2Å; F185-L243 HydrophobicContact CZ-CD2 3.83Å; F185-V247 HydrophobicContact CD1-CG1 4.43Å; F185-V247 HydrophobicContact CD2-CG1 4.45Å; F185-V247 HydrophobicContact CE1-CG1 4.33Å; F185-V247 HydrophobicContact CE2-CG1 4.36Å; F185-V247 HydrophobicContact CZ-CG1 4.29Å; F185-Y251 HydrophobicContact CB-CD1 3.61Å; F185-Y251 HydrophobicContact CB-CD2 4.03Å; F185-Y251 HydrophobicContact CB-CE1 3.7Å; F185-Y251 HydrophobicContact CB-CE2 4.09Å; F185-Y251 HydrophobicContact CB-CG 3.79Å; F185-Y251 WeakPolarHBondContact O-CD1 3.44Å; F185-F252 AromaticContact CD1-CE2 3.86Å; F185-F252 HydrophobicContact CD1-CE2 3.86Å; F185-F252 AromaticContact CD1-CZ 3.93Å; F185-F252 HydrophobicContact CD1-CZ 3.93Å; F185-F252 AromaticContact CE1-CE2 3.78Å; F185-F252 HydrophobicContact CE1-CE2 3.78Å; F185-F252 AromaticContact CE1-CZ 3.83Å; F185-F252 HydrophobicContact CE1-CZ 3.83Å |
| 186 | D | 96.7 | Very high | 92.4 | Very high | 58 Ų | 58 | 28.1 Ų | 28.1 | 31% | 0.31 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 175.1 | -55.2 | -71.1 | 0 | 0 | 0 | 111.3 | N183 A190 Y251 | N183-D186 VanDerWaalsContact CA-OD2 3.26Å; N183-D186 WeakPolarHBondContact CA-OD2 3.41Å; N183-D186 HydrophobicContact CB-CB 4.15Å; N183-D186 VanDerWaalsContact CB-OD2 3.29Å; N183-D186 WeakPolarHBondContact CB-OD2 3.25Å; N183-D186 PolarHBondContact ND2-OD2 2.92Å; N183-D186 PolarHBondContact O-N 2.9Å; D186-A190 VanDerWaalsContact O-CB 3.25Å; D186-A190 WeakPolarHBondContact O-CB 3.42Å; D186-A190 PolarHBondContact O-N 3.26Å; D186-Y251 WeakPolarHBondContact OD1-CE1 3.31Å; D186-Y251 PolarHBondContact OD1-OH 3.44Å |
| 187 | R | 95.7 | Very high | 91.6 | Very high | 89 Ų | 89 | 33.3 Ų | 33.3 | 34% | 0.336 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 177.4 | -67.9 | 160.7 | -165.8 | -111.6 | 5.8 | 111.7 | S57 I58 A60 K61 L182 N183 G184 A190 R191 | S57-R187 WeakPolarHBondContact O-CD 3.14Å; S57-R187 PolarHBondContact O-NE 3.33Å; I58-R187 PolarHBondContact O-NH1 2.94Å; I58-R187 VanDerWaalsContact O-NH1 3.09Å; A60-R187 HydrophobicContact CB-CB 4.17Å; K61-R187 HydrophobicContact CB-CB 4.07Å; L182-R187 PolarHBondContact O-NE 2.98Å; N183-R187 WeakPolarHBondContact O-CB 3.32Å; N183-R187 VanDerWaalsContact O-CD 3.28Å; N183-R187 WeakPolarHBondContact O-CD 3.49Å; N183-R187 WeakPolarHBondContact O-CG 3.39Å; N183-R187 PolarHBondContact O-N 3.16Å; G184-R187 PolarHBondContact O-N 3.09Å; R187-A190 PolarHBondContact O-N 2.91Å; R187-R191 PolarHBondContact O-N 2.86Å |
| 188 | L | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -51.6 | 175.2 | -178 | 69.3 | 0 | 0 | 0 | 111.1 | G184 F185 A190 R191 F192 Y232 F236 F252 I255 | G184-L188 WeakPolarHBondContact O-CB 3.34Å; G184-L188 PolarHBondContact O-N 3.19Å; F185-L188 PolarHBondContact O-N 3.36Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 2.99Å; L188-R191 WeakPolarHBondContact O-CB 3.4Å; L188-R191 PolarHBondContact O-N 3.17Å; L188-R191 VanDerWaalsContact O-N 3.1Å; L188-F192 HydrophobicContact CD1-CE2 4.08Å; L188-F192 WeakPolarHBondContact O-CD2 3.09Å; L188-F192 PolarHBondContact O-N 3.27Å; L188-Y232 HydrophobicContact CD1-CD1 3.52Å; L188-Y232 HydrophobicContact CD1-CE1 4.17Å; L188-Y232 HydrophobicContact CD1-CG 4.24Å; L188-F236 HydrophobicContact CD2-CD2 3.9Å; L188-F236 HydrophobicContact CD2-CE2 3.63Å; L188-F236 HydrophobicContact CD2-CZ 4.21Å; L188-F252 HydrophobicContact CD2-CE1 4.08Å; L188-F252 HydrophobicContact CD2-CZ 4.11Å; L188-I255 HydrophobicContact CD2-CD1 4.21Å; L188-I255 HydrophobicContact CG-CD1 4.09Å |
| 189 | K | 95.5 | Very high | 89.4 | Confident | 52 Ų | 52 | 39 Ų | 39 | 23% | 0.226 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 176 | 179.7 | -179 | 178.6 | 174.2 | 0 | 111.8 | F185 R191 F192 L193 E250 Y251 I255 | F185-K189 VanDerWaalsContact O-CB 3.28Å; F185-K189 WeakPolarHBondContact O-CB 3.34Å; F185-K189 PolarHBondContact O-N 3.39Å; K189-R191 VanDerWaalsContact C-N 3.3Å; K189-R191 PolarHBondContact O-N 3.3Å; K189-F192 PolarHBondContact O-N 2.89Å; K189-L193 HydrophobicContact CG-CD1 3.94Å; K189-L193 HydrophobicContact CG-CG 4.47Å; K189-L193 WeakPolarHBondContact O-CG 3.47Å; K189-L193 PolarHBondContact O-N 2.67Å; K189-E250 WeakPolarHBondContact CE-O 3.37Å; K189-E250 PolarHBondContact NZ-O 3.19Å; K189-Y251 HydrophobicContact CB-CD1 3.99Å; K189-Y251 HydrophobicContact CD-CD1 3.69Å; K189-Y251 HydrophobicContact CD-CE1 4.32Å; K189-Y251 HydrophobicContact CD-CG 4.48Å; K189-Y251 HydrophobicContact CG-CD1 4.47Å; K189-I255 HydrophobicContact CB-CD1 4.31Å |
| 190 | A | 93.4 | Very high | 87.9 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 28% | 0.281 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -35.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K61 D186 R187 L188 L193 E194 | K61-A190 HydrophobicContact CD-CB 4.44Å; D186-A190 VanDerWaalsContact O-CB 3.25Å; D186-A190 WeakPolarHBondContact O-CB 3.42Å; D186-A190 PolarHBondContact O-N 3.26Å; R187-A190 PolarHBondContact O-N 2.91Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 2.99Å; A190-L193 PolarHBondContact O-N 3.44Å; A190-E194 WeakPolarHBondContact O-CG 3.42Å; A190-E194 PolarHBondContact O-N 3.46Å |
| 191 | R | 92.4 | Very high | 86.1 | Confident | 15 Ų | 15 | 51 Ų | 51 | 6% | 0.057 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 176.7 | -171.8 | 55.9 | -179.2 | 147.2 | 3.3 | 112.4 | K61 D63 R187 L188 K189 E194 L195 E222 Y232 | K61-R191 HydrophobicContact CG-CB 4.14Å; K61-R191 WeakPolarHBondContact O-CD 3.37Å; D63-R191 VanDerWaalsContact CG-NH2 3.28Å; D63-R191 IonicContact OD1-CZ 2.77Å; D63-R191 IonicContact OD1-NE 3.42Å; D63-R191 PolarHBondContact OD1-NE 2.85Å; D63-R191 IonicContact OD1-NH2 3.99Å; D63-R191 PolarHBondContact OD1-NH2 3.02Å; D63-R191 VanDerWaalsContact OD1-NH2 3.16Å; D63-R191 IonicContact OD2-CZ 3.5Å; D63-R191 IonicContact OD2-NE 2.65Å; D63-R191 IonicContact OD2-NH2 3.29Å; D63-R191 PolarHBondContact OD2-NH2 3.13Å; R187-R191 PolarHBondContact O-N 2.86Å; L188-R191 WeakPolarHBondContact O-CB 3.4Å; L188-R191 PolarHBondContact O-N 3.17Å; L188-R191 VanDerWaalsContact O-N 3.1Å; K189-R191 VanDerWaalsContact C-N 3.3Å; K189-R191 PolarHBondContact O-N 3.3Å; R191-E194 IonicContact NH1-OE2 3.48Å; R191-E194 PolarHBondContact O-N 2.87Å; R191-L195 PolarHBondContact O-N 3.32Å; R191-E222 IonicContact CZ-OE2 2.62Å; R191-E222 VanDerWaalsContact CZ-OE2 3.3Å; R191-E222 IonicContact NH1-OE2 2.69Å; R191-E222 PolarHBondContact NH1-OE2 3.22Å; R191-E222 IonicContact NH2-OE2 3.32Å; R191-E222 PolarHBondContact NH2-OE2 3.38Å; R191-Y232 HydrophobicContact CG-CE2 4.33Å |
| 192 | F | 92.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.8 | -36.1 | 176.1 | -75.7 | -78.4 | 0 | 0 | 0 | 112.8 | L188 K189 E194 L195 D196 L224 I229 Y232 L233 I255 I258 V259 | L188-F192 HydrophobicContact CD1-CE2 4.08Å; L188-F192 WeakPolarHBondContact O-CD2 3.09Å; L188-F192 PolarHBondContact O-N 3.27Å; K189-F192 PolarHBondContact O-N 2.89Å; F192-E194 VanDerWaalsContact C-N 3.3Å; F192-E194 PolarHBondContact O-N 3.3Å; F192-L195 WeakPolarHBondContact O-CB 3.17Å; F192-L195 PolarHBondContact O-N 2.95Å; F192-D196 PolarHBondContact O-N 2.67Å; F192-L224 HydrophobicContact CE1-CD2 4.4Å; F192-I229 HydrophobicContact CE1-CG1 4.3Å; F192-I229 HydrophobicContact CE1-CG2 4.14Å; F192-I229 HydrophobicContact CZ-CG2 4.43Å; F192-Y232 HydrophobicContact CE2-CG 4.31Å; F192-Y232 HydrophobicContact CZ-CD2 4.42Å; F192-Y232 HydrophobicContact CZ-CG 4.32Å; F192-L233 HydrophobicContact CE2-CD2 4.33Å; F192-L233 HydrophobicContact CZ-CD2 4.15Å; F192-L233 HydrophobicContact CZ-CG 4.46Å; F192-I255 HydrophobicContact CB-CG1 4.08Å; F192-I255 HydrophobicContact CB-CG2 4.46Å; F192-I255 HydrophobicContact CD1-CG2 4.13Å; F192-I255 HydrophobicContact CD2-CB 4.34Å; F192-I255 HydrophobicContact CD2-CD1 4.12Å; F192-I255 HydrophobicContact CD2-CG1 3.88Å; F192-I255 HydrophobicContact CD2-CG2 3.59Å; F192-I255 HydrophobicContact CE1-CG2 4.28Å; F192-I255 HydrophobicContact CE2-CG2 3.75Å; F192-I255 HydrophobicContact CG-CB 4.43Å; F192-I255 HydrophobicContact CG-CG1 4.15Å; F192-I255 HydrophobicContact CG-CG2 3.79Å; F192-I255 HydrophobicContact CZ-CG2 4.1Å; F192-I258 HydrophobicContact CB-CD1 4.32Å; F192-I258 HydrophobicContact CB-CG2 4.47Å; F192-V259 HydrophobicContact CD1-CG2 3.74Å; F192-V259 HydrophobicContact CE1-CG2 3.44Å; F192-V259 VanDerWaalsContact CE1-CG2 3.44Å; F192-V259 HydrophobicContact CZ-CG2 4.34Å |
| 193 | L | 89.7 | Confident | 82.8 | Confident | 69 Ų | 69 | 54 Ų | 54 | 36% | 0.361 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 172.1 | -72.1 | 168 | 0 | 0 | 0 | 112.3 | K189 A190 D196 N197 I258 | K189-L193 HydrophobicContact CG-CD1 3.94Å; K189-L193 HydrophobicContact CG-CG 4.47Å; K189-L193 WeakPolarHBondContact O-CG 3.47Å; K189-L193 PolarHBondContact O-N 2.67Å; A190-L193 PolarHBondContact O-N 3.44Å; L193-D196 PolarHBondContact O-N 2.94Å; L193-N197 WeakPolarHBondContact O-CB 3.26Å; L193-N197 PolarHBondContact O-N 3.12Å; L193-N197 PolarHBondContact O-ND2 3.2Å; L193-I258 HydrophobicContact CD2-CD1 3.94Å; L193-I258 HydrophobicContact CG-CD1 4.39Å |
| 194 | E | 86 | Confident | 81.1 | Confident | 67 Ų | 67 | 57.5 Ų | 57.5 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 171.9 | -78.2 | 177.1 | 164.3 | 0 | 0 | 112.7 | K61 A190 R191 F192 K198 | K61-E194 WeakPolarHBondContact CE-OE1 3.44Å; K61-E194 WeakPolarHBondContact CE-OE2 3.5Å; K61-E194 VanDerWaalsContact NZ-CD 3.32Å; K61-E194 IonicContact NZ-OE1 2.86Å; K61-E194 PolarHBondContact NZ-OE1 3.25Å; K61-E194 IonicContact NZ-OE2 3.06Å; A190-E194 WeakPolarHBondContact O-CG 3.42Å; A190-E194 PolarHBondContact O-N 3.46Å; R191-E194 IonicContact NH1-OE2 3.48Å; R191-E194 PolarHBondContact O-N 2.87Å; F192-E194 VanDerWaalsContact C-N 3.3Å; F192-E194 PolarHBondContact O-N 3.3Å; E194-K198 WeakPolarHBondContact O-CB 3.49Å; E194-K198 VanDerWaalsContact O-CG 3.26Å; E194-K198 WeakPolarHBondContact O-CG 3.14Å; E194-K198 PolarHBondContact O-N 2.96Å |
| 195 | L | 80.1 | Confident | 79.2 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 174.3 | 174.6 | 146.2 | 0 | 0 | 0 | 111.5 | R191 F192 K198 Y199 L224 I258 Y262 | R191-L195 PolarHBondContact O-N 3.32Å; F192-L195 WeakPolarHBondContact O-CB 3.17Å; F192-L195 PolarHBondContact O-N 2.95Å; L195-K198 PolarHBondContact O-N 2.92Å; L195-Y199 WeakPolarHBondContact O-CB 3.14Å; L195-Y199 PolarHBondContact O-N 3.42Å; L195-L224 HydrophobicContact CD1-CB 3.59Å; L195-L224 HydrophobicContact CD1-CD2 3.49Å; L195-L224 VanDerWaalsContact CD1-CD2 3.49Å; L195-L224 HydrophobicContact CD1-CG 4.17Å; L195-I258 HydrophobicContact CD2-CG2 3.71Å; L195-Y262 HydrophobicContact CD1-CD2 4.48Å; L195-Y262 HydrophobicContact CD1-CE1 4.48Å; L195-Y262 HydrophobicContact CD1-CE2 4.28Å; L195-Y262 HydrophobicContact CD2-CD2 3.91Å; L195-Y262 HydrophobicContact CD2-CE2 4.4Å; L195-Y262 HydrophobicContact CD2-CG 4.11Å; L195-Y262 HydrophobicContact CG-CD2 4.5Å |
| 196 | D | 80.9 | Confident | 77.2 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | -179.5 | -166.5 | 67.3 | 0 | 0 | 0 | 111.9 | F192 L193 K198 Y199 H200 I258 | F192-D196 PolarHBondContact O-N 2.67Å; L193-D196 PolarHBondContact O-N 2.94Å; D196-K198 PolarHBondContact O-N 3.27Å; D196-Y199 PolarHBondContact O-N 3.08Å; D196-H200 PolarHBondContact O-N 3.44Å; D196-H200 IonicContact OD2-CD2 3.52Å; D196-I258 HydrophobicContact CB-CD1 4.08Å; D196-I258 HydrophobicContact CB-CG1 4Å; D196-I258 HydrophobicContact CB-CG2 3.9Å |
| 197 | N | 77.5 | Confident | 75.2 | Confident | 109 Ų | 109 | 68.4 Ų | 68.4 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 175.2 | -80.1 | -75.8 | 0 | 0 | 0 | 112.5 | L193 W201 | L193-N197 WeakPolarHBondContact O-CB 3.26Å; L193-N197 PolarHBondContact O-N 3.12Å; L193-N197 PolarHBondContact O-ND2 3.2Å; N197-W201 WeakPolarHBondContact O-CB 3.46Å; N197-W201 PolarHBondContact O-N 2.58Å; N197-W201 VanDerWaalsContact O-N 3.08Å |
| 198 | K | 70.9 | Confident | 73.2 | Confident | 84 Ų | 84 | 69.9 Ų | 69.9 | 37% | 0.365 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.3 | -75.5 | 178.1 | -175 | -168.4 | 0 | 111 | E194 L195 D196 H200 W201 D202 E222 | E194-K198 WeakPolarHBondContact O-CB 3.49Å; E194-K198 VanDerWaalsContact O-CG 3.26Å; E194-K198 WeakPolarHBondContact O-CG 3.14Å; E194-K198 PolarHBondContact O-N 2.96Å; L195-K198 PolarHBondContact O-N 2.92Å; D196-K198 PolarHBondContact O-N 3.27Å; K198-H200 PolarHBondContact O-N 3.29Å; K198-W201 PolarHBondContact O-N 3.24Å; K198-D202 PolarHBondContact O-N 3.5Å; K198-E222 VanDerWaalsContact NZ-CD 3.34Å; K198-E222 IonicContact NZ-OE1 3.89Å; K198-E222 IonicContact NZ-OE2 2.64Å; K198-E222 PolarHBondContact NZ-OE2 3.35Å |
| 199 | Y | 67.5 | Low | 71.2 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 14% | 0.137 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.2 | -49.1 | 179.8 | -180 | -90.2 | 0 | 0 | 0 | 112.2 | L195 D196 W201 D202 Q203 Y262 H265 | L195-Y199 WeakPolarHBondContact O-CB 3.14Å; L195-Y199 PolarHBondContact O-N 3.42Å; D196-Y199 PolarHBondContact O-N 3.08Å; Y199-W201 VanDerWaalsContact C-N 3.31Å; Y199-W201 PolarHBondContact O-N 2.86Å; Y199-D202 PolarHBondContact O-N 3.41Å; Y199-Q203 PolarHBondContact O-N 3.44Å; Y199-Q203 PolarHBondContact OH-OE1 3.23Å; Y199-Q203 VanDerWaalsContact OH-OE1 3.09Å; Y199-Y262 HydrophobicContact CD2-CD2 4.32Å; Y199-H265 HydrophobicContact CE2-CB 4.34Å; Y199-H265 VanDerWaalsContact OH-CB 3.25Å; Y199-H265 WeakPolarHBondContact OH-CB 3.48Å |
| 200 | H | 64.8 | Low | 69.1 | Low | 96 Ų | 96 | 80.3 Ų | 80.3 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.1 | -26.3 | 177.7 | -82.8 | -51.8 | 0 | 0 | 0 | 114 | D196 K198 K204 | D196-H200 PolarHBondContact O-N 3.44Å; D196-H200 IonicContact OD2-CD2 3.52Å; K198-H200 PolarHBondContact O-N 3.29Å; H200-K204 PolarHBondContact O-N 3.29Å |
| 201 | W | 56.4 | Low | 67.1 | Low | 156 Ų | 156 | 86.9 Ų | 86.9 | 59% | 0.591 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -75.1 | -46 | 174.1 | -172.5 | 87.6 | 0 | 0 | 0 | 112.2 | N197 K198 Y199 Q203 K204 Q205 | N197-W201 WeakPolarHBondContact O-CB 3.46Å; N197-W201 PolarHBondContact O-N 2.58Å; N197-W201 VanDerWaalsContact O-N 3.08Å; K198-W201 PolarHBondContact O-N 3.24Å; Y199-W201 VanDerWaalsContact C-N 3.31Å; Y199-W201 PolarHBondContact O-N 2.86Å; W201-Q203 PolarHBondContact O-N 3.5Å; W201-K204 PolarHBondContact O-N 2.89Å; W201-Q205 HydrophobicContact CD2-CG 3.87Å; W201-Q205 HydrophobicContact CE3-CG 3.81Å; W201-Q205 HydrophobicContact CH2-CG 3.82Å; W201-Q205 HydrophobicContact CZ2-CG 3.88Å; W201-Q205 HydrophobicContact CZ3-CG 3.78Å; W201-Q205 WeakPolarHBondContact O-CG 3.33Å; W201-Q205 PolarHBondContact O-N 2.72Å |
| 202 | D | 57.2 | Low | 64.8 | Low | 52 Ų | 52 | 92.7 Ų | 92.7 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.1 | -39.3 | 175.9 | -84.7 | -1.2 | 0 | 0 | 0 | 112 | K198 Y199 Q205 K206 T221 | K198-D202 PolarHBondContact O-N 3.5Å; Y199-D202 PolarHBondContact O-N 3.41Å; D202-Q205 PolarHBondContact O-N 2.93Å; D202-K206 WeakPolarHBondContact O-CG 3.4Å; D202-K206 PolarHBondContact O-N 3.08Å; D202-T221 WeakPolarHBondContact OD2-CG2 3.38Å |
| 203 | Q | 58.4 | Low | 62.3 | Low | 84 Ų | 84 | 100 Ų | 100 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.5 | -45.6 | 179.3 | -165.7 | 163.7 | -4.8 | 0 | 0 | 111.6 | Y199 W201 Q205 K206 D207 | Y199-Q203 PolarHBondContact O-N 3.44Å; Y199-Q203 PolarHBondContact OH-OE1 3.23Å; Y199-Q203 VanDerWaalsContact OH-OE1 3.09Å; W201-Q203 PolarHBondContact O-N 3.5Å; Q203-Q205 VanDerWaalsContact C-N 3.32Å; Q203-Q205 PolarHBondContact O-N 3.22Å; Q203-K206 PolarHBondContact O-N 3.4Å; Q203-D207 PolarHBondContact O-N 3.16Å; Q203-D207 VanDerWaalsContact O-N 3.12Å |
| 204 | K | 58.2 | Low | 59.6 | Low | 153 Ų | 153 | 105.6 Ų | 105.6 | 67% | 0.665 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -36.6 | 172.6 | -85.6 | -176.9 | 174 | 175.8 | 0 | 113.3 | H200 W201 M208 | H200-K204 PolarHBondContact O-N 3.29Å; W201-K204 PolarHBondContact O-N 2.89Å; K204-M208 PolarHBondContact O-N 3.18Å |
| 205 | Q | 57 | Low | 57.2 | Low | 57 Ų | 57 | 110.1 Ų | 110.1 | 27% | 0.266 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 174.9 | -79.2 | -68.5 | -1.8 | 0 | 0 | 111.1 | W201 D202 Q203 D207 M208 L209 | W201-Q205 HydrophobicContact CD2-CG 3.87Å; W201-Q205 HydrophobicContact CE3-CG 3.81Å; W201-Q205 HydrophobicContact CH2-CG 3.82Å; W201-Q205 HydrophobicContact CZ2-CG 3.88Å; W201-Q205 HydrophobicContact CZ3-CG 3.78Å; W201-Q205 WeakPolarHBondContact O-CG 3.33Å; W201-Q205 PolarHBondContact O-N 2.72Å; D202-Q205 PolarHBondContact O-N 2.93Å; Q203-Q205 VanDerWaalsContact C-N 3.32Å; Q203-Q205 PolarHBondContact O-N 3.22Å; Q205-D207 PolarHBondContact O-N 3.5Å; Q205-M208 PolarHBondContact O-N 3.46Å; Q205-L209 HydrophobicContact CB-CD1 4.3Å; Q205-L209 WeakPolarHBondContact O-CB 3.12Å; Q205-L209 PolarHBondContact O-N 3.3Å |
| 206 | K | 54 | Low | 55 | Low | 125 Ų | 125 | 118.2 Ų | 118.2 | 54% | 0.543 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.1 | -44.5 | 177.5 | -78.5 | 175.3 | 177.4 | 174.7 | 0 | 113 | D202 Q203 M208 L209 Q210 | D202-K206 WeakPolarHBondContact O-CG 3.4Å; D202-K206 PolarHBondContact O-N 3.08Å; Q203-K206 PolarHBondContact O-N 3.4Å; K206-M208 PolarHBondContact O-N 2.96Å; K206-L209 PolarHBondContact O-N 3.37Å; K206-Q210 VanDerWaalsContact O-CB 3.3Å; K206-Q210 WeakPolarHBondContact O-CB 3.18Å; K206-Q210 PolarHBondContact O-N 3.5Å |
| 207 | D | 54.7 | Low | 52.8 | Low | 106 Ų | 106 | 120.3 Ų | 120.3 | 57% | 0.567 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.9 | -25 | -179.6 | -66.8 | -20.2 | 0 | 0 | 0 | 112.9 | Q203 Q205 | Q203-D207 PolarHBondContact O-N 3.16Å; Q203-D207 VanDerWaalsContact O-N 3.12Å; Q205-D207 PolarHBondContact O-N 3.5Å |
| 208 | M | 54.8 | Low | 50.7 | Low | 120 Ų | 120 | 123.1 Ų | 123.1 | 59% | 0.591 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -90.5 | -49 | 173.3 | -64 | -173.4 | -66.4 | 0 | 0 | 112.7 | K204 Q205 K206 Q210 Q211 | K204-M208 PolarHBondContact O-N 3.18Å; Q205-M208 PolarHBondContact O-N 3.46Å; K206-M208 PolarHBondContact O-N 2.96Å; M208-Q210 VanDerWaalsContact C-N 3.3Å; M208-Q210 PolarHBondContact O-N 2.89Å; M208-Q211 PolarHBondContact O-N 3.04Å; M208-Q211 VanDerWaalsContact O-N 3.14Å |
| 209 | L | 53.2 | Low | 49.1 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 51% | 0.508 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69 | -22.1 | -177.2 | -83.6 | 156.1 | 0 | 0 | 0 | 113.5 | Q205 K206 Q211 Q212 | Q205-L209 HydrophobicContact CB-CD1 4.3Å; Q205-L209 WeakPolarHBondContact O-CB 3.12Å; Q205-L209 PolarHBondContact O-N 3.3Å; K206-L209 PolarHBondContact O-N 3.37Å; L209-Q211 PolarHBondContact O-N 3.16Å; L209-Q211 VanDerWaalsContact O-N 3.11Å; L209-Q212 CarbonylContact O-C 3.57Å; L209-Q212 VanDerWaalsContact O-C 3.28Å; L209-Q212 PolarHBondContact O-N 2.84Å |
| 210 | Q | 51.1 | Low | 47.9 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -12 | 173 | -160.1 | 166.2 | 24.9 | 0 | 0 | 112.8 | K206 M208 | K206-Q210 VanDerWaalsContact O-CB 3.3Å; K206-Q210 WeakPolarHBondContact O-CB 3.18Å; K206-Q210 PolarHBondContact O-N 3.5Å; M208-Q210 VanDerWaalsContact C-N 3.3Å; M208-Q210 PolarHBondContact O-N 2.89Å |
| 211 | Q | 51.6 | Low | 47 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -11.8 | 167.4 | -57.2 | -170.8 | 15.2 | 0 | 0 | 113.8 | M208 L209 | M208-Q211 PolarHBondContact O-N 3.04Å; M208-Q211 VanDerWaalsContact O-N 3.14Å; L209-Q211 PolarHBondContact O-N 3.16Å; L209-Q211 VanDerWaalsContact O-N 3.11Å |
| 212 | Q | 44.8 | Very low | 46.9 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -139.5 | 111.5 | -175.7 | -67 | -169.2 | -3.5 | 0 | 0 | 113.2 | L209 | L209-Q212 CarbonylContact O-C 3.57Å; L209-Q212 VanDerWaalsContact O-C 3.28Å; L209-Q212 PolarHBondContact O-N 2.84Å |
| 213 | L | 38.9 | Very low | 47.3 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 80% | 0.796 | 62% | 0.621 | S | S | * | * | trans | 77.6 | 105.1 | 162.4 | -58.8 | 164.9 | 0 | 0 | 0 | 118.3 | Q215 | L213-Q215 VanDerWaalsContact C-N 3.27Å; L213-Q215 PolarHBondContact O-N 3.34Å | ||
| 214 | Q | 34.5 | Very low | 48.3 | Very low | 187 Ų | 187 | 123 Ų | 123 | 87% | 0.874 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -72.5 | 75.7 | 149.8 | -68.8 | 178 | -17.6 | 0 | 0 | 110.5 | ||
| 215 | Q | 34.7 | Very low | 49.6 | Very low | 162 Ų | 162 | 116.6 Ų | 116.6 | 76% | 0.757 | 58% | 0.578 | S | S | * | * | trans | -168.9 | 141.2 | 161.7 | -110.8 | 141.9 | 98.6 | 0 | 0 | 113.5 | L213 | L213-Q215 VanDerWaalsContact C-N 3.27Å; L213-Q215 PolarHBondContact O-N 3.34Å | ||
| 216 | Q | 33.4 | Very low | 51 | Low | 188 Ų | 188 | 114 Ų | 114 | 88% | 0.879 | 57% | 0.566 | S | S | * | * | trans | 51.7 | 91.5 | 156.9 | -63.7 | -178.5 | -30.2 | 0 | 0 | 118.9 | ||||
| 217 | S | 35.8 | Very low | 52.6 | Low | 80 Ų | 80 | 110.3 Ų | 110.3 | 56% | 0.559 | 56% | 0.555 | S | S | * | * | -143.5 | 138.7 | 126.7 | 71.6 | 0 | 0 | 0 | 0 | 110.8 | D219 | S217-D219 WeakPolarHBondContact CB-OD2 3.48Å; S217-D219 PolarHBondContact O-N 2.92Å; S217-D219 VanDerWaalsContact OG-CG 3.32Å; S217-D219 PolarHBondContact OG-OD2 3.13Å | |||
| 218 | N | 32.6 | Very low | 54.2 | Low | 167 Ų | 167 | 106.1 Ų | 106.1 | 89% | 0.893 | 53% | 0.533 | S | S | * | . | trans | -95.3 | 45.8 | 171.1 | -85.5 | -23.4 | 0 | 0 | 0 | 109.1 | Q220 | N218-Q220 PolarHBondContact O-N 3.48Š| ||
| 219 | D | 38.2 | Very low | 56 | Low | 114 Ų | 114 | 100.4 Ų | 100.4 | 61% | 0.61 | 51% | 0.505 | S | S | * | . | trans | -63.5 | 114.5 | -171.8 | -72.5 | -39.2 | 0 | 0 | 0 | 110.6 | S217 T221 | S217-D219 WeakPolarHBondContact CB-OD2 3.48Å; S217-D219 PolarHBondContact O-N 2.92Å; S217-D219 VanDerWaalsContact OG-CG 3.32Å; S217-D219 PolarHBondContact OG-OD2 3.13Å; D219-T221 PolarHBondContact O-N 3.4Å; D219-T221 PolarHBondContact O-OG1 2.89Å | ||
| 220 | Q | 41.3 | Very low | 57.9 | Low | 195 Ų | 195 | 97 Ų | 97 | 91% | 0.911 | 49% | 0.488 | S | S | * | . | trans | -75.2 | 53.3 | 168.6 | -64.9 | -177.5 | -23.2 | 0 | 0 | 109.2 | N218 E222 | N218-Q220 PolarHBondContact O-N 3.48Å; Q220-E222 PolarHBondContact O-N 2.93Å | ||
| 221 | T | 45.9 | Very low | 59.8 | Low | 56 Ų | 56 | 89.2 Ų | 89.2 | 34% | 0.344 | 45% | 0.453 | S | S | . | . | trans | -51.6 | 115.4 | 177 | -39.7 | 0 | 0 | 0 | 0 | 107.8 | D202 D219 F223 | D202-T221 WeakPolarHBondContact OD2-CG2 3.38Å; D219-T221 PolarHBondContact O-N 3.4Å; D219-T221 PolarHBondContact O-OG1 2.89Å; T221-F223 PolarHBondContact O-N 3.18Å | ||
| 222 | E | 55.3 | Low | 61.9 | Low | 100 Ų | 100 | 81 Ų | 81 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | trans | -67.8 | 80.8 | -166.7 | -170.3 | -171.6 | -99 | 0 | 0 | 110.8 | R191 K198 Q220 L224 | R191-E222 IonicContact CZ-OE2 2.62Å; R191-E222 VanDerWaalsContact CZ-OE2 3.3Å; R191-E222 IonicContact NH1-OE2 2.69Å; R191-E222 PolarHBondContact NH1-OE2 3.22Å; R191-E222 IonicContact NH2-OE2 3.32Å; R191-E222 PolarHBondContact NH2-OE2 3.38Å; K198-E222 VanDerWaalsContact NZ-CD 3.34Å; K198-E222 IonicContact NZ-OE1 3.89Å; K198-E222 IonicContact NZ-OE2 2.64Å; K198-E222 PolarHBondContact NZ-OE2 3.35Å; Q220-E222 PolarHBondContact O-N 2.93Å; E222-L224 PolarHBondContact O-N 2.99Å | ||
| 223 | F | 65.4 | Low | 64.3 | Low | 37 Ų | 37 | 74.5 Ų | 74.5 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | trans | -79.5 | 100.9 | -169.2 | 169 | -113.6 | 0 | 0 | 0 | 110.7 | T221 S225 Y262 Q270 R273 E274 | T221-F223 PolarHBondContact O-N 3.18Å; F223-S225 PolarHBondContact O-N 3.38Å; F223-S225 VanDerWaalsContact O-N 3.16Å; F223-Y262 WeakPolarHBondContact CD2-OH 3.43Å; F223-Y262 WeakPolarHBondContact CE2-OH 3.37Å; F223-Q270 HydrophobicContact CD2-CB 4.37Å; F223-Q270 HydrophobicContact CD2-CG 3.84Å; F223-Q270 HydrophobicContact CE2-CB 3.59Å; F223-Q270 HydrophobicContact CE2-CG 3.53Å; F223-Q270 HydrophobicContact CZ-CB 3.93Å; F223-Q270 HydrophobicContact CZ-CG 4.31Å; F223-R273 HydrophobicContact CD1-CB 4.32Å; F223-R273 HydrophobicContact CE1-CB 4.09Å; F223-E274 HydrophobicContact CE1-CG 3.7Å; F223-E274 WeakPolarHBondContact CE1-OE2 3.35Å; F223-E274 HydrophobicContact CZ-CG 3.64Å | ||
| 224 | L | 79.2 | Confident | 67 | Low | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | trans | -66.1 | 112.2 | 173.3 | -156.8 | 77.4 | 0 | 0 | 0 | 109.7 | D63 F192 L195 E222 L228 I229 Y232 Y262 | D63-L224 WeakPolarHBondContact OD2-CD1 3.47Å; F192-L224 HydrophobicContact CE1-CD2 4.4Å; L195-L224 HydrophobicContact CD1-CB 3.59Å; L195-L224 HydrophobicContact CD1-CD2 3.49Å; L195-L224 VanDerWaalsContact CD1-CD2 3.49Å; L195-L224 HydrophobicContact CD1-CG 4.17Å; E222-L224 PolarHBondContact O-N 2.99Å; L224-L228 HydrophobicContact CD1-CD2 3.5Å; L224-L228 VanDerWaalsContact CD1-CD2 3.5Å; L224-L228 HydrophobicContact CD1-CG 4Å; L224-L228 HydrophobicContact CG-CD2 4.25Å; L224-L228 HydrophobicContact CG-CG 4.45Å; L224-I229 HydrophobicContact CD2-CD1 4.21Å; L224-I229 HydrophobicContact CD2-CG1 3.56Å; L224-I229 HydrophobicContact CG-CG1 4.05Å; L224-Y232 HydrophobicContact CD1-CE2 4.27Å; L224-Y262 PolarHBondContact O-OH 3.26Å | ||
| 225 | S | 85.1 | Confident | 69.9 | Low | 18 Ų | 18 | 61.4 Ų | 61.4 | 13% | 0.126 | 32% | 0.318 | C | S | . | . | trans | -71.8 | 149.8 | 179.8 | 25 | 0 | 0 | 0 | 0 | 113.4 | F223 S227 L228 I229 E274 K277 | F223-S225 PolarHBondContact O-N 3.38Å; F223-S225 VanDerWaalsContact O-N 3.16Å; S225-S227 VanDerWaalsContact C-N 3.26Å; S225-S227 PolarHBondContact O-N 3.21Å; S225-L228 CarbonylContact O-C 3.56Å; S225-L228 WeakPolarHBondContact O-CA 3.43Å; S225-L228 WeakPolarHBondContact O-CB 3.46Å; S225-L228 PolarHBondContact O-N 3.37Å; S225-I229 PolarHBondContact O-N 3.11Å; S225-E274 WeakPolarHBondContact CA-OE1 3.36Å; S225-E274 VanDerWaalsContact CB-CD 3.46Å; S225-E274 WeakPolarHBondContact CB-OE1 3.4Å; S225-E274 VanDerWaalsContact CB-OE2 3.27Å; S225-E274 WeakPolarHBondContact CB-OE2 3.44Å; S225-K277 PolarHBondContact OG-NZ 3.07Å; S225-K277 VanDerWaalsContact OG-NZ 3.16Å | ||
| 226 | L | 87.2 | Confident | 72.9 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -37 | 177.2 | -60.2 | -173.8 | 0 | 0 | 0 | 112 | L228 I229 N230 Y262 L263 L266 E274 F284 V317 F321 | L226-L228 PolarHBondContact O-N 3.23Å; L226-I229 HydrophobicContact CD2-CD1 4.27Å; L226-I229 PolarHBondContact O-N 3.37Å; L226-N230 WeakPolarHBondContact O-CB 3.32Å; L226-N230 PolarHBondContact O-N 2.67Å; L226-Y262 HydrophobicContact CD2-CD1 4.36Å; L226-Y262 HydrophobicContact CD2-CE1 4.01Å; L226-L263 HydrophobicContact CD1-CD2 4.45Å; L226-L263 HydrophobicContact CD2-CD2 3.7Å; L226-L266 HydrophobicContact CD1-CD1 3.95Å; L226-L266 HydrophobicContact CD2-CD1 4.22Å; L226-L266 HydrophobicContact CD2-CD2 4.34Å; L226-E274 PolarHBondContact N-OE1 3.19Å; L226-F284 HydrophobicContact CB-CD2 4.04Å; L226-F284 HydrophobicContact CB-CE2 3.63Å; L226-F284 HydrophobicContact CD1-CE2 4.26Å; L226-V317 HydrophobicContact CD1-CG1 4.14Å; L226-F321 HydrophobicContact CD1-CE2 3.81Å; L226-F321 HydrophobicContact CD1-CZ 3.8Å |
| 227 | S | 86.8 | Confident | 75.9 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.8 | -27.5 | 174.3 | -42.3 | 0 | 0 | 0 | 0 | 112.9 | S225 A231 | S225-S227 VanDerWaalsContact C-N 3.26Å; S225-S227 PolarHBondContact O-N 3.21Å; S227-A231 PolarHBondContact O-N 3.05Å; S227-A231 VanDerWaalsContact O-N 3.13Å |
| 228 | L | 89.4 | Confident | 78.7 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -85.6 | -37.1 | 177.7 | 178.2 | 59.1 | 0 | 0 | 0 | 111.4 | D63 L68 L224 S225 L226 N230 A231 Y232 | D63-L228 HydrophobicContact CB-CD2 3.78Å; L68-L228 HydrophobicContact CD1-CD1 3.49Å; L68-L228 VanDerWaalsContact CD1-CD1 3.49Å; L224-L228 HydrophobicContact CD1-CD2 3.5Å; L224-L228 VanDerWaalsContact CD1-CD2 3.5Å; L224-L228 HydrophobicContact CD1-CG 4Å; L224-L228 HydrophobicContact CG-CD2 4.25Å; L224-L228 HydrophobicContact CG-CG 4.45Å; S225-L228 CarbonylContact O-C 3.56Å; S225-L228 WeakPolarHBondContact O-CA 3.43Å; S225-L228 WeakPolarHBondContact O-CB 3.46Å; S225-L228 PolarHBondContact O-N 3.37Å; L226-L228 PolarHBondContact O-N 3.23Å; L228-N230 VanDerWaalsContact C-N 3.3Å; L228-N230 PolarHBondContact O-N 3.45Å; L228-A231 PolarHBondContact O-N 2.88Å; L228-Y232 HydrophobicContact CD1-CD2 4.2Å; L228-Y232 HydrophobicContact CD1-CE2 4Å; L228-Y232 HydrophobicContact CG-CD2 4.15Å; L228-Y232 HydrophobicContact CG-CE2 4Å; L228-Y232 VanDerWaalsContact O-CD2 3.31Å; L228-Y232 WeakPolarHBondContact O-CD2 3.23Å; L228-Y232 PolarHBondContact O-N 2.87Å |
| 229 | I | 92.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 166.9 | -66.2 | 173.6 | 0 | 0 | 0 | 110 | F192 L224 S225 L226 A231 Y232 L233 V259 Y262 L288 | F192-I229 HydrophobicContact CE1-CG1 4.3Å; F192-I229 HydrophobicContact CE1-CG2 4.14Å; F192-I229 HydrophobicContact CZ-CG2 4.43Å; L224-I229 HydrophobicContact CD2-CD1 4.21Å; L224-I229 HydrophobicContact CD2-CG1 3.56Å; L224-I229 HydrophobicContact CG-CG1 4.05Å; S225-I229 PolarHBondContact O-N 3.11Å; L226-I229 HydrophobicContact CD2-CD1 4.27Å; L226-I229 PolarHBondContact O-N 3.37Å; I229-A231 VanDerWaalsContact C-N 3.35Å; I229-A231 PolarHBondContact O-N 3.26Å; I229-Y232 PolarHBondContact O-N 3.31Å; I229-L233 HydrophobicContact CG2-CD1 4.07Å; I229-L233 HydrophobicContact CG2-CG 4.46Å; I229-L233 WeakPolarHBondContact O-CG 3.25Å; I229-L233 PolarHBondContact O-N 3.06Å; I229-V259 HydrophobicContact CG2-CB 4.49Å; I229-V259 HydrophobicContact CG2-CG1 3.77Å; I229-V259 HydrophobicContact CG2-CG2 3.8Å; I229-Y262 HydrophobicContact CD1-CD1 3.61Å; I229-Y262 HydrophobicContact CD1-CE1 3.49Å; I229-Y262 VanDerWaalsContact CD1-CE1 3.49Å; I229-L288 HydrophobicContact CG2-CD1 3.81Å |
| 230 | N | 92.1 | Very high | 84.2 | Confident | 26 Ų | 26 | 30.6 Ų | 30.6 | 14% | 0.139 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 173.6 | -178.6 | 63 | 0 | 0 | 0 | 111.7 | L226 L228 Y232 L233 H234 G287 L288 | L226-N230 WeakPolarHBondContact O-CB 3.32Å; L226-N230 PolarHBondContact O-N 2.67Å; L228-N230 VanDerWaalsContact C-N 3.3Å; L228-N230 PolarHBondContact O-N 3.45Å; N230-Y232 VanDerWaalsContact C-N 3.3Å; N230-Y232 PolarHBondContact O-N 3Å; N230-L233 PolarHBondContact O-N 3.24Å; N230-H234 WeakPolarHBondContact O-CB 3.36Å; N230-H234 PolarHBondContact O-N 2.7Å; N230-G287 PolarHBondContact OD1-O 3.02Å; N230-L288 HydrophobicContact CB-CB 4.21Å; N230-L288 HydrophobicContact CB-CD1 4.48Å; N230-L288 WeakPolarHBondContact OD1-CA 3.41Å; N230-L288 PolarHBondContact OD1-N 3.04Å |
| 231 | A | 91.6 | Very high | 86.5 | Confident | 10 Ų | 10 | 26 Ų | 26 | 8% | 0.083 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.4 | -35.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L65 L68 S227 L228 I229 P235 | L65-A231 HydrophobicContact CD1-CB 3.75Å; L68-A231 HydrophobicContact CB-CB 3.95Å; L68-A231 HydrophobicContact CD1-CB 3.85Å; S227-A231 PolarHBondContact O-N 3.05Å; S227-A231 VanDerWaalsContact O-N 3.13Å; L228-A231 PolarHBondContact O-N 2.88Å; I229-A231 VanDerWaalsContact C-N 3.35Å; I229-A231 PolarHBondContact O-N 3.26Å; A231-P235 VanDerWaalsContact O-CD 3.23Å; A231-P235 WeakPolarHBondContact O-CD 3.23Å |
| 232 | Y | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.3 | -34.2 | 174.2 | -86.2 | -61.5 | 0 | 0 | 0 | 113.9 | A60 S62 D63 L68 L188 R191 F192 L224 L228 I229 N230 F236 | A60-Y232 WeakPolarHBondContact O-CE1 3.4Å; S62-Y232 PolarHBondContact O-OH 3.43Å; D63-Y232 PolarHBondContact N-OH 3.3Å; D63-Y232 PolarHBondContact OD1-OH 3.38Å; L68-Y232 HydrophobicContact CD1-CD1 3.83Å; L68-Y232 HydrophobicContact CD1-CD2 4.03Å; L68-Y232 HydrophobicContact CD1-CE1 3.9Å; L68-Y232 HydrophobicContact CD1-CE2 4.1Å; L68-Y232 HydrophobicContact CD1-CG 3.9Å; L68-Y232 HydrophobicContact CD2-CD1 3.5Å; L68-Y232 VanDerWaalsContact CD2-CD1 3.5Å; L68-Y232 HydrophobicContact CD2-CE1 3.58Å; L68-Y232 HydrophobicContact CD2-CG 4.31Å; L68-Y232 HydrophobicContact CG-CD1 4.33Å; L68-Y232 HydrophobicContact CG-CE1 4.35Å; L188-Y232 HydrophobicContact CD1-CD1 3.52Å; L188-Y232 HydrophobicContact CD1-CE1 4.17Å; L188-Y232 HydrophobicContact CD1-CG 4.24Å; R191-Y232 HydrophobicContact CG-CE2 4.33Å; F192-Y232 HydrophobicContact CE2-CG 4.31Å; F192-Y232 HydrophobicContact CZ-CD2 4.42Å; F192-Y232 HydrophobicContact CZ-CG 4.32Å; L224-Y232 HydrophobicContact CD1-CE2 4.27Å; L228-Y232 HydrophobicContact CD1-CD2 4.2Å; L228-Y232 HydrophobicContact CD1-CE2 4Å; L228-Y232 HydrophobicContact CG-CD2 4.15Å; L228-Y232 HydrophobicContact CG-CE2 4Å; L228-Y232 VanDerWaalsContact O-CD2 3.31Å; L228-Y232 WeakPolarHBondContact O-CD2 3.23Å; L228-Y232 PolarHBondContact O-N 2.87Å; I229-Y232 PolarHBondContact O-N 3.31Å; N230-Y232 VanDerWaalsContact C-N 3.3Å; N230-Y232 PolarHBondContact O-N 3Å; Y232-F236 WeakPolarHBondContact O-CD2 3.46Å |
| 233 | L | 96.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -90.9 | -30.5 | -175.7 | -62.8 | -177.1 | 0 | 0 | 0 | 113.7 | F192 I229 N230 F236 A237 I255 V259 L288 L292 L295 | F192-L233 HydrophobicContact CE2-CD2 4.33Å; F192-L233 HydrophobicContact CZ-CD2 4.15Å; F192-L233 HydrophobicContact CZ-CG 4.46Å; I229-L233 HydrophobicContact CG2-CD1 4.07Å; I229-L233 HydrophobicContact CG2-CG 4.46Å; I229-L233 WeakPolarHBondContact O-CG 3.25Å; I229-L233 PolarHBondContact O-N 3.06Å; N230-L233 PolarHBondContact O-N 3.24Å; L233-F236 PolarHBondContact O-N 3.15Å; L233-A237 PolarHBondContact O-N 3.18Å; L233-I255 HydrophobicContact CD2-CG2 3.57Å; L233-V259 HydrophobicContact CD1-CG1 4.46Å; L233-V259 HydrophobicContact CD1-CG2 4.4Å; L233-L288 HydrophobicContact CD1-CD1 3.92Å; L233-L292 HydrophobicContact CD1-CD2 3.71Å; L233-L292 HydrophobicContact CD1-CG 4.2Å; L233-L295 HydrophobicContact CB-CD1 4.32Å; L233-L295 HydrophobicContact CD2-CD1 4.24Å |
| 234 | H | 95.7 | Very high | 91.7 | Very high | 64 Ų | 64 | 18.1 Ų | 18.1 | 30% | 0.296 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -57.7 | -43.9 | -172.8 | -174.8 | 56.9 | 0 | 0 | 0 | 114.8 | N230 F236 A237 L238 | N230-H234 WeakPolarHBondContact O-CB 3.36Å; N230-H234 PolarHBondContact O-N 2.7Å; H234-F236 VanDerWaalsContact C-N 3.29Å; H234-F236 PolarHBondContact O-N 2.98Å; H234-A237 PolarHBondContact O-N 3.01Å; H234-L238 WeakPolarHBondContact O-CG 3.2Å; H234-L238 PolarHBondContact O-N 3.44Å |
| 235 | P | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.7 | -43.5 | 177.6 | -20.9 | 29.4 | 0 | 0 | 0 | 112.7 | E71 F75 A231 L238 C239 | E71-P235 HydrophobicContact CB-CB 3.83Å; E71-P235 HydrophobicContact CB-CG 3.56Å; F75-P235 HydrophobicContact CB-CB 4.18Å; F75-P235 HydrophobicContact CD2-CB 3.98Å; F75-P235 HydrophobicContact CG-CB 4.47Å; A231-P235 VanDerWaalsContact O-CD 3.23Å; A231-P235 WeakPolarHBondContact O-CD 3.23Å; P235-L238 WeakPolarHBondContact O-CB 3.34Å; P235-L238 PolarHBondContact O-N 3.47Å; P235-C239 PolarHBondContact O-N 3.04Å |
| 236 | F | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -81.3 | -21.6 | -175.4 | -52.6 | -68.8 | 0 | 0 | 0 | 112.9 | F75 F179 F185 L188 Y232 L233 H234 S240 L243 F252 L295 | F75-F236 HydrophobicContact CD2-CE1 4.28Å; F75-F236 AromaticContact CE2-CE1 3.97Å; F75-F236 HydrophobicContact CE2-CE1 3.97Å; F75-F236 HydrophobicContact CE2-CZ 4.27Å; F75-F236 HydrophobicContact CZ-CE1 4.19Å; F179-F236 HydrophobicContact CD1-CE1 4.26Å; F179-F236 HydrophobicContact CD1-CZ 4.48Å; F179-F236 AromaticContact CE1-CE1 3.86Å; F179-F236 HydrophobicContact CE1-CE1 3.86Å; F179-F236 AromaticContact CE1-CZ 3.68Å; F179-F236 HydrophobicContact CE1-CZ 3.68Å; F179-F236 HydrophobicContact CE2-CZ 4.38Å; F179-F236 HydrophobicContact CZ-CE1 4.21Å; F179-F236 AromaticContact CZ-CZ 3.63Å; F179-F236 HydrophobicContact CZ-CZ 3.63Å; F185-F236 AromaticContact CE1-CD1 3.84Å; F185-F236 HydrophobicContact CE1-CD1 3.84Å; F185-F236 AromaticContact CE1-CE1 3.73Å; F185-F236 HydrophobicContact CE1-CE1 3.73Å; F185-F236 HydrophobicContact CZ-CE1 4.4Å; L188-F236 HydrophobicContact CD2-CD2 3.9Å; L188-F236 HydrophobicContact CD2-CE2 3.63Å; L188-F236 HydrophobicContact CD2-CZ 4.21Å; Y232-F236 WeakPolarHBondContact O-CD2 3.46Å; L233-F236 PolarHBondContact O-N 3.15Å; H234-F236 VanDerWaalsContact C-N 3.29Å; H234-F236 PolarHBondContact O-N 2.98Å; F236-S240 VanDerWaalsContact O-CA 3.26Å; F236-S240 WeakPolarHBondContact O-CA 3.4Å; F236-S240 PolarHBondContact O-N 2.78Å; F236-L243 HydrophobicContact CB-CD1 4.36Å; F236-F252 HydrophobicContact CB-CD1 4.46Å; F236-F252 HydrophobicContact CB-CE1 3.46Å; F236-F252 VanDerWaalsContact CB-CE1 3.46Å; F236-F252 HydrophobicContact CB-CE2 4.48Å; F236-F252 HydrophobicContact CB-CZ 3.48Å; F236-F252 VanDerWaalsContact CB-CZ 3.48Å; F236-F252 AromaticContact CD1-CZ 3.85Å; F236-F252 HydrophobicContact CD1-CZ 3.85Å; F236-F252 AromaticContact CD2-CE1 3.96Å; F236-F252 HydrophobicContact CD2-CE1 3.96Å; F236-F252 AromaticContact CD2-CZ 4Å; F236-F252 HydrophobicContact CD2-CZ 4Å; F236-F252 AromaticContact CG-CE1 3.72Å; F236-F252 HydrophobicContact CG-CE1 3.72Å; F236-F252 AromaticContact CG-CZ 3.46Å; F236-F252 HydrophobicContact CG-CZ 3.46Å; F236-F252 VanDerWaalsContact CG-CZ 3.46Å; F236-L295 HydrophobicContact CB-CD2 4.48Å |
| 237 | A | 96.2 | Very high | 92.9 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.3 | -35.4 | 166 | 0 | 0 | 0 | 0 | 0 | 112.3 | L233 H234 S240 T294 L295 | L233-A237 PolarHBondContact O-N 3.18Å; H234-A237 PolarHBondContact O-N 3.01Å; A237-S240 PolarHBondContact O-OG 3.29Å; A237-T294 WeakPolarHBondContact O-CG2 3.31Å; A237-L295 HydrophobicContact CB-CG 4.39Å |
| 238 | L | 94.7 | Very high | 93.2 | Very high | 49 Ų | 49 | 21.9 Ų | 21.9 | 26% | 0.257 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 173.8 | -66.7 | 172.7 | 0 | 0 | 0 | 111.7 | D76 P77 H234 P235 | D76-L238 HydrophobicContact CB-CD1 4Å; P77-L238 WeakPolarHBondContact CD-O 3.3Å; H234-L238 WeakPolarHBondContact O-CG 3.2Å; H234-L238 PolarHBondContact O-N 3.44Å; P235-L238 WeakPolarHBondContact O-CB 3.34Å; P235-L238 PolarHBondContact O-N 3.47Å |
| 239 | C | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 16.5 | 178.1 | 80.5 | 0 | 0 | 0 | 0 | 114.7 | F75 L172 I176 P235 N241 Y242 L243 | F75-C239 HydrophobicContact CB-CB 4.29Å; F75-C239 WeakPolarHBondContact O-CB 3.47Å; L172-C239 HydrophobicContact CD1-CB 4.25Å; L172-C239 HydrophobicContact CD2-CB 4.05Å; L172-C239 HydrophobicContact CG-CB 4.45Å; I176-C239 HydrophobicContact CD1-CB 4.16Å; P235-C239 PolarHBondContact O-N 3.04Å; C239-N241 PolarHBondContact O-N 2.87Å; C239-Y242 HydrophobicContact CB-CD2 4.41Å; C239-Y242 WeakPolarHBondContact O-CB 3.4Å; C239-Y242 PolarHBondContact O-N 2.93Å; C239-L243 PolarHBondContact O-N 3.13Å |
| 240 | S | 93.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -31.3 | -168.6 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | F236 A237 Y242 T294 R298 | F236-S240 VanDerWaalsContact O-CA 3.26Å; F236-S240 WeakPolarHBondContact O-CA 3.4Å; F236-S240 PolarHBondContact O-N 2.78Å; A237-S240 PolarHBondContact O-OG 3.29Å; S240-Y242 VanDerWaalsContact C-N 3.29Å; S240-T294 VanDerWaalsContact OG-CG2 3.25Å; S240-T294 WeakPolarHBondContact OG-CG2 3.37Å; S240-R298 PolarHBondContact O-NE 2.89Å |
| 241 | N | 90.1 | Very high | 93.7 | Very high | 98 Ų | 98 | 26.8 Ų | 26.8 | 52% | 0.524 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -12.4 | -178.8 | -60.9 | -15.5 | 0 | 0 | 0 | 112.9 | C239 | C239-N241 PolarHBondContact O-N 2.87Š|
| 242 | Y | 91.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 6% | 0.059 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -15.8 | -179.5 | -62.7 | -97.1 | 0 | 0 | 0 | 113.1 | P77 S160 I161 Y166 A169 L172 V173 I176 C239 S240 | P77-Y242 HydrophobicContact CB-CE2 3.72Å; P77-Y242 HydrophobicContact CG-CE2 4.03Å; S160-Y242 CarbonylContact C-O 3.52Å; S160-Y242 WeakPolarHBondContact CA-O 3.43Å; S160-Y242 WeakPolarHBondContact CB-O 3.27Å; I161-Y242 PolarHBondContact N-O 2.74Å; Y166-Y242 HydrophobicContact CD1-CD1 4.1Å; Y166-Y242 AromaticContact CD1-CE1 3.47Å; Y166-Y242 HydrophobicContact CD1-CE1 3.47Å; Y166-Y242 VanDerWaalsContact CD1-CE1 3.47Å; Y166-Y242 HydrophobicContact CE1-CD1 4.07Å; Y166-Y242 AromaticContact CE1-CE1 3.13Å; Y166-Y242 HydrophobicContact CE1-CE1 3.13Å; Y166-Y242 AromaticContact CE1-CZ 3.44Å; Y166-Y242 VanDerWaalsContact CE1-CZ 3.44Å; Y166-Y242 VanDerWaalsContact CE1-OH 3.31Å; Y166-Y242 WeakPolarHBondContact CE1-OH 3.47Å; Y166-Y242 HydrophobicContact CG-CE1 4.34Å; Y166-Y242 AromaticContact CZ-CE1 3.78Å; Y166-Y242 AromaticContact CZ-CZ 3.77Å; Y166-Y242 PolarHBondContact OH-OH 2.72Å; A169-Y242 HydrophobicContact CB-CE1 3.6Å; L172-Y242 HydrophobicContact CD2-CD1 4.04Å; L172-Y242 HydrophobicContact CD2-CD2 3.7Å; L172-Y242 HydrophobicContact CD2-CE1 4.09Å; L172-Y242 HydrophobicContact CD2-CE2 3.79Å; L172-Y242 HydrophobicContact CD2-CG 3.83Å; L172-Y242 HydrophobicContact CG-CD1 4.44Å; L172-Y242 HydrophobicContact CG-CG 4.37Å; V173-Y242 HydrophobicContact CG2-CD1 4.22Å; I176-Y242 VanDerWaalsContact CD1-CB 3.43Å; I176-Y242 HydrophobicContact CD1-CG 4.49Å; C239-Y242 HydrophobicContact CB-CD2 4.41Å; C239-Y242 WeakPolarHBondContact O-CB 3.4Å; C239-Y242 PolarHBondContact O-N 2.93Å; S240-Y242 VanDerWaalsContact C-N 3.29Å |
| 243 | L | 93.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -73.2 | 139.6 | 174.3 | -60.4 | 173.6 | 0 | 0 | 0 | 110.3 | I176 F185 F236 C239 V247 I248 F252 R298 | I176-L243 HydrophobicContact CD1-CD2 4.26Å; I176-L243 HydrophobicContact CG1-CD2 4.35Å; I176-L243 HydrophobicContact CG2-CD2 3.85Å; F185-L243 HydrophobicContact CE1-CD2 4.2Å; F185-L243 HydrophobicContact CZ-CD2 3.83Å; F236-L243 HydrophobicContact CB-CD1 4.36Å; C239-L243 PolarHBondContact O-N 3.13Å; L243-V247 HydrophobicContact CB-CG1 4.49Å; L243-V247 HydrophobicContact CD2-CG1 4.3Å; L243-I248 HydrophobicContact CB-CD1 3.9Å; L243-I248 HydrophobicContact CB-CG1 4.15Å; L243-I248 HydrophobicContact CD1-CD1 3.74Å; L243-I248 HydrophobicContact CG-CD1 4.47Å; L243-F252 HydrophobicContact CD1-CD2 4.08Å; L243-F252 HydrophobicContact CD1-CE2 3.7Å; L243-F252 HydrophobicContact CD1-CZ 4.21Å; L243-R298 PolarHBondContact O-NH2 2.83Å |
| 244 | S | 91.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | trans | -67.8 | 150.3 | 173.1 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | E158 Y159 S160 S246 V247 I248 | E158-S244 PolarHBondContact O-OG 2.8Å; E158-S244 VanDerWaalsContact O-OG 3.1Å; Y159-S244 PolarHBondContact O-N 3.13Å; Y159-S244 VanDerWaalsContact O-N 3.09Å; Y159-S244 PolarHBondContact O-OG 3.1Å; S160-S244 WeakPolarHBondContact O-CB 3.28Å; S244-S246 PolarHBondContact O-N 2.75Å; S244-S246 PolarHBondContact OG-OG 2.96Å; S244-V247 PolarHBondContact O-N 3.41Å; S244-V247 WeakPolarHBondContact OG-CG2 3.43Å; S244-I248 PolarHBondContact O-N 3.07Å | ||
| 245 | D | 90.3 | Very high | 93.8 | Very high | 85 Ų | 85 | 28.1 Ų | 28.1 | 46% | 0.455 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.2 | -29.3 | -179.6 | -54.3 | -46.6 | 0 | 0 | 0 | 112.1 | I248 E249 R298 | D245-I248 PolarHBondContact O-N 2.88Å; D245-E249 WeakPolarHBondContact O-CB 3.26Å; D245-E249 PolarHBondContact O-N 3.11Å; D245-R298 IonicContact OD1-CZ 3.54Å; D245-R298 IonicContact OD1-NH1 2.61Å; D245-R298 PolarHBondContact OD1-NH1 3.03Å; D245-R298 IonicContact OD1-NH2 3.32Å; D245-R298 PolarHBondContact OD1-NH2 3.42Å |
| 246 | S | 91.3 | Very high | 93.7 | Very high | 65 Ų | 65 | 28.5 Ų | 28.5 | 46% | 0.455 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 170.7 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | S244 E250 | S244-S246 PolarHBondContact O-N 2.75Å; S244-S246 PolarHBondContact OG-OG 2.96Å; S246-E250 WeakPolarHBondContact O-CB 3.48Å; S246-E250 PolarHBondContact O-N 2.88Å |
| 247 | V | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.4 | -37.4 | 175.3 | 165.2 | 0 | 0 | 0 | 0 | 111.9 | Y159 F185 L243 S244 Y251 F252 | Y159-V247 HydrophobicContact CD1-CG2 3.58Å; Y159-V247 HydrophobicContact CG-CG2 4.14Å; F185-V247 HydrophobicContact CD1-CG1 4.43Å; F185-V247 HydrophobicContact CD2-CG1 4.45Å; F185-V247 HydrophobicContact CE1-CG1 4.33Å; F185-V247 HydrophobicContact CE2-CG1 4.36Å; F185-V247 HydrophobicContact CZ-CG1 4.29Å; L243-V247 HydrophobicContact CB-CG1 4.49Å; L243-V247 HydrophobicContact CD2-CG1 4.3Å; S244-V247 PolarHBondContact O-N 3.41Å; S244-V247 WeakPolarHBondContact OG-CG2 3.43Å; V247-Y251 HydrophobicContact CB-CD2 4.29Å; V247-Y251 HydrophobicContact CG1-CD2 4Å; V247-Y251 HydrophobicContact CG2-CD2 4.3Å; V247-Y251 HydrophobicContact CG2-CE2 4.22Å; V247-Y251 WeakPolarHBondContact O-CB 3.41Å; V247-Y251 WeakPolarHBondContact O-CD2 3.34Å; V247-Y251 PolarHBondContact O-N 3.18Å; V247-F252 HydrophobicContact CG1-CD2 4.13Å; V247-F252 HydrophobicContact CG1-CE2 3.9Å |
| 248 | I | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -61.6 | -50 | 174.7 | -64.5 | -67.6 | 0 | 0 | 0 | 111 | L243 S244 D245 F252 K253 R298 I299 | L243-I248 HydrophobicContact CB-CD1 3.9Å; L243-I248 HydrophobicContact CB-CG1 4.15Å; L243-I248 HydrophobicContact CD1-CD1 3.74Å; L243-I248 HydrophobicContact CG-CD1 4.47Å; S244-I248 PolarHBondContact O-N 3.07Å; D245-I248 PolarHBondContact O-N 2.88Å; I248-F252 HydrophobicContact CD1-CD2 4.24Å; I248-F252 CarbonylContact O-C 3.57Å; I248-F252 PolarHBondContact O-N 3.48Å; I248-F252 VanDerWaalsContact O-N 3.11Å; I248-K253 PolarHBondContact O-N 3.12Å; I248-R298 HydrophobicContact CD1-CB 3.98Å; I248-R298 HydrophobicContact CG1-CB 4.14Å; I248-R298 HydrophobicContact CG2-CB 4.08Å; I248-I299 HydrophobicContact CG2-CB 4.27Å; I248-I299 HydrophobicContact CG2-CG1 3.64Å |
| 249 | E | 92.8 | Very high | 93.3 | Very high | 75 Ų | 75 | 30.5 Ų | 30.5 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | I | π-helix | trans | -71 | -38.3 | -178.7 | -174.9 | 68.9 | -162.4 | 0 | 0 | 112.6 | D245 K253 S301 | D245-E249 WeakPolarHBondContact O-CB 3.26Å; D245-E249 PolarHBondContact O-N 3.11Å; E249-K253 VanDerWaalsContact CD-CD 3.44Å; E249-K253 VanDerWaalsContact OE1-CD 3.28Å; E249-K253 WeakPolarHBondContact OE1-CD 3.41Å; E249-K253 WeakPolarHBondContact OE1-CE 3.49Å; E249-K253 IonicContact OE1-NZ 2.64Å; E249-K253 PolarHBondContact OE1-NZ 3.14Å; E249-K253 VanDerWaalsContact OE2-CD 3.27Å; E249-K253 WeakPolarHBondContact OE2-CD 3.17Å; E249-K253 IonicContact OE2-NZ 3.09Å; E249-S301 PolarHBondContact OE2-OG 3.36Å |
| 250 | E | 94.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 32 Ų | 32 | 33% | 0.332 | 18% | 0.175 | S | C | . | . | I | π-helix | trans | -77.1 | -39.2 | -177.2 | -175.3 | -178.4 | -177.5 | 0 | 0 | 113.2 | K157 K189 S246 | K157-E250 VanDerWaalsContact CE-OE2 3.26Å; K157-E250 WeakPolarHBondContact CE-OE2 3.48Å; K157-E250 IonicContact NZ-OE1 2.82Å; K157-E250 PolarHBondContact NZ-OE1 3.37Å; K157-E250 IonicContact NZ-OE2 3.85Å; K157-E250 PolarHBondContact NZ-OE2 2.82Å; K189-E250 WeakPolarHBondContact CE-O 3.37Å; K189-E250 PolarHBondContact NZ-O 3.19Å; S246-E250 WeakPolarHBondContact O-CB 3.48Å; S246-E250 PolarHBondContact O-N 2.88Å |
| 251 | Y | 96.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -111.3 | -53.6 | -173.7 | -57.3 | -86.7 | 0 | 0 | 0 | 112.8 | K157 Y159 F185 D186 K189 V247 P254 I255 | K157-Y251 PolarHBondContact NZ-OH 3.2Å; Y159-Y251 HydrophobicContact CE1-CE2 4.33Å; F185-Y251 HydrophobicContact CB-CD1 3.61Å; F185-Y251 HydrophobicContact CB-CD2 4.03Å; F185-Y251 HydrophobicContact CB-CE1 3.7Å; F185-Y251 HydrophobicContact CB-CE2 4.09Å; F185-Y251 HydrophobicContact CB-CG 3.79Å; F185-Y251 WeakPolarHBondContact O-CD1 3.44Å; D186-Y251 WeakPolarHBondContact OD1-CE1 3.31Å; D186-Y251 PolarHBondContact OD1-OH 3.44Å; K189-Y251 HydrophobicContact CB-CD1 3.99Å; K189-Y251 HydrophobicContact CD-CD1 3.69Å; K189-Y251 HydrophobicContact CD-CE1 4.32Å; K189-Y251 HydrophobicContact CD-CG 4.48Å; K189-Y251 HydrophobicContact CG-CD1 4.47Å; V247-Y251 HydrophobicContact CB-CD2 4.29Å; V247-Y251 HydrophobicContact CG1-CD2 4Å; V247-Y251 HydrophobicContact CG2-CD2 4.3Å; V247-Y251 HydrophobicContact CG2-CE2 4.22Å; V247-Y251 WeakPolarHBondContact O-CB 3.41Å; V247-Y251 WeakPolarHBondContact O-CD2 3.34Å; V247-Y251 PolarHBondContact O-N 3.18Å; Y251-P254 WeakPolarHBondContact O-CD 3.44Å; Y251-I255 WeakPolarHBondContact O-CD1 3.48Å; Y251-I255 VanDerWaalsContact O-CG1 3.23Å; Y251-I255 WeakPolarHBondContact O-CG1 3.37Å; Y251-I255 PolarHBondContact O-N 3.42Å |
| 252 | F | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -76.7 | -35.1 | -169.8 | -70.8 | -79.3 | 0 | 0 | 0 | 113.6 | F185 L188 F236 L243 V247 I248 I255 V256 L295 | F185-F252 AromaticContact CD1-CE2 3.86Å; F185-F252 HydrophobicContact CD1-CE2 3.86Å; F185-F252 AromaticContact CD1-CZ 3.93Å; F185-F252 HydrophobicContact CD1-CZ 3.93Å; F185-F252 AromaticContact CE1-CE2 3.78Å; F185-F252 HydrophobicContact CE1-CE2 3.78Å; F185-F252 AromaticContact CE1-CZ 3.83Å; F185-F252 HydrophobicContact CE1-CZ 3.83Å; L188-F252 HydrophobicContact CD2-CE1 4.08Å; L188-F252 HydrophobicContact CD2-CZ 4.11Å; F236-F252 HydrophobicContact CB-CD1 4.46Å; F236-F252 HydrophobicContact CB-CE1 3.46Å; F236-F252 VanDerWaalsContact CB-CE1 3.46Å; F236-F252 HydrophobicContact CB-CE2 4.48Å; F236-F252 HydrophobicContact CB-CZ 3.48Å; F236-F252 VanDerWaalsContact CB-CZ 3.48Å; F236-F252 AromaticContact CD1-CZ 3.85Å; F236-F252 HydrophobicContact CD1-CZ 3.85Å; F236-F252 AromaticContact CD2-CE1 3.96Å; F236-F252 HydrophobicContact CD2-CE1 3.96Å; F236-F252 AromaticContact CD2-CZ 4Å; F236-F252 HydrophobicContact CD2-CZ 4Å; F236-F252 AromaticContact CG-CE1 3.72Å; F236-F252 HydrophobicContact CG-CE1 3.72Å; F236-F252 AromaticContact CG-CZ 3.46Å; F236-F252 HydrophobicContact CG-CZ 3.46Å; F236-F252 VanDerWaalsContact CG-CZ 3.46Å; L243-F252 HydrophobicContact CD1-CD2 4.08Å; L243-F252 HydrophobicContact CD1-CE2 3.7Å; L243-F252 HydrophobicContact CD1-CZ 4.21Å; V247-F252 HydrophobicContact CG1-CD2 4.13Å; V247-F252 HydrophobicContact CG1-CE2 3.9Å; I248-F252 HydrophobicContact CD1-CD2 4.24Å; I248-F252 CarbonylContact O-C 3.57Å; I248-F252 PolarHBondContact O-N 3.48Å; I248-F252 VanDerWaalsContact O-N 3.11Å; F252-I255 PolarHBondContact O-N 3.22Å; F252-V256 WeakPolarHBondContact O-CB 3.36Å; F252-V256 VanDerWaalsContact O-CG2 3.3Å; F252-V256 WeakPolarHBondContact O-CG2 3.3Å; F252-V256 PolarHBondContact O-N 3.18Å; F252-L295 HydrophobicContact CD1-CD1 4.04Å; F252-L295 HydrophobicContact CD1-CD2 3.89Å; F252-L295 HydrophobicContact CE1-CD2 4.4Å; F252-L295 HydrophobicContact CG-CD2 4.16Å |
| 253 | K | 94.4 | Very high | 93 | Very high | 63 Ų | 63 | 29.7 Ų | 29.7 | 27% | 0.274 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.5 | -52.8 | 174.7 | 170.2 | 178.3 | 176.9 | 173.2 | 0 | 112.8 | I248 E249 I255 V256 T257 I299 S301 | I248-K253 PolarHBondContact O-N 3.12Å; E249-K253 VanDerWaalsContact CD-CD 3.44Å; E249-K253 VanDerWaalsContact OE1-CD 3.28Å; E249-K253 WeakPolarHBondContact OE1-CD 3.41Å; E249-K253 WeakPolarHBondContact OE1-CE 3.49Å; E249-K253 IonicContact OE1-NZ 2.64Å; E249-K253 PolarHBondContact OE1-NZ 3.14Å; E249-K253 VanDerWaalsContact OE2-CD 3.27Å; E249-K253 WeakPolarHBondContact OE2-CD 3.17Å; E249-K253 IonicContact OE2-NZ 3.09Å; K253-I255 VanDerWaalsContact C-N 3.34Å; K253-I255 PolarHBondContact O-N 3.09Å; K253-V256 PolarHBondContact O-N 3.47Å; K253-T257 PolarHBondContact O-N 2.87Å; K253-T257 PolarHBondContact O-OG1 2.89Å; K253-I299 HydrophobicContact CB-CD1 3.81Å; K253-I299 HydrophobicContact CB-CG1 4.15Å; K253-I299 HydrophobicContact CB-CG2 4.22Å; K253-I299 HydrophobicContact CD-CG2 3.9Å; K253-I299 HydrophobicContact CG-CD1 4.3Å; K253-I299 HydrophobicContact CG-CG2 4.24Å; K253-S301 PolarHBondContact NZ-OG 3.04Å |
| 254 | P | 94.4 | Very high | 92.8 | Very high | 39 Ų | 39 | 32 Ų | 32 | 25% | 0.253 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -55.3 | -44 | 171.9 | -28.1 | 34.8 | 0 | 0 | 0 | 113.9 | Y251 T257 I258 | Y251-P254 WeakPolarHBondContact O-CD 3.44Å; P254-T257 PolarHBondContact O-N 3Å; P254-I258 WeakPolarHBondContact O-CD1 2.93Å; P254-I258 VanDerWaalsContact O-CG1 3.25Å; P254-I258 WeakPolarHBondContact O-CG1 3.27Å; P254-I258 PolarHBondContact O-N 3.25Å |
| 255 | I | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | -180 | -68.4 | 166.9 | 0 | 0 | 0 | 111.2 | L188 K189 F192 L233 Y251 F252 K253 I258 V259 | L188-I255 HydrophobicContact CD2-CD1 4.21Å; L188-I255 HydrophobicContact CG-CD1 4.09Å; K189-I255 HydrophobicContact CB-CD1 4.31Å; F192-I255 HydrophobicContact CB-CG1 4.08Å; F192-I255 HydrophobicContact CB-CG2 4.46Å; F192-I255 HydrophobicContact CD1-CG2 4.13Å; F192-I255 HydrophobicContact CD2-CB 4.34Å; F192-I255 HydrophobicContact CD2-CD1 4.12Å; F192-I255 HydrophobicContact CD2-CG1 3.88Å; F192-I255 HydrophobicContact CD2-CG2 3.59Å; F192-I255 HydrophobicContact CE1-CG2 4.28Å; F192-I255 HydrophobicContact CE2-CG2 3.75Å; F192-I255 HydrophobicContact CG-CB 4.43Å; F192-I255 HydrophobicContact CG-CG1 4.15Å; F192-I255 HydrophobicContact CG-CG2 3.79Å; F192-I255 HydrophobicContact CZ-CG2 4.1Å; L233-I255 HydrophobicContact CD2-CG2 3.57Å; Y251-I255 WeakPolarHBondContact O-CD1 3.48Å; Y251-I255 VanDerWaalsContact O-CG1 3.23Å; Y251-I255 WeakPolarHBondContact O-CG1 3.37Å; Y251-I255 PolarHBondContact O-N 3.42Å; F252-I255 PolarHBondContact O-N 3.22Å; K253-I255 VanDerWaalsContact C-N 3.34Å; K253-I255 PolarHBondContact O-N 3.09Å; I255-I258 PolarHBondContact O-N 3.31Å; I255-V259 HydrophobicContact CG2-CG2 4.49Å; I255-V259 WeakPolarHBondContact O-CG2 3.43Å; I255-V259 PolarHBondContact O-N 2.95Å |
| 256 | V | 94.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 176.9 | 166.9 | 0 | 0 | 0 | 0 | 110.5 | F252 K253 I258 V259 V260 L292 L295 T296 I299 | F252-V256 WeakPolarHBondContact O-CB 3.36Å; F252-V256 VanDerWaalsContact O-CG2 3.3Å; F252-V256 WeakPolarHBondContact O-CG2 3.3Å; F252-V256 PolarHBondContact O-N 3.18Å; K253-V256 PolarHBondContact O-N 3.47Å; V256-I258 PolarHBondContact O-N 2.85Å; V256-V259 PolarHBondContact O-N 3.47Å; V256-V260 HydrophobicContact CG1-CG2 4.28Å; V256-V260 WeakPolarHBondContact O-CB 3.45Å; V256-V260 VanDerWaalsContact O-CG2 3.3Å; V256-V260 WeakPolarHBondContact O-CG2 3.13Å; V256-V260 PolarHBondContact O-N 2.89Å; V256-L292 HydrophobicContact CG1-CD2 4.44Å; V256-L292 HydrophobicContact CG2-CD2 4.24Å; V256-L295 HydrophobicContact CG2-CB 4.07Å; V256-T296 WeakPolarHBondContact CG1-OG1 3.35Å; V256-I299 HydrophobicContact CB-CD1 4.42Å; V256-I299 HydrophobicContact CG1-CD1 4.48Å |
| 257 | T | 92.6 | Very high | 92.1 | Very high | 89 Ų | 89 | 31.1 Ų | 31.1 | 55% | 0.546 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.3 | -45.8 | 176.8 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | K253 P254 V260 N261 | K253-T257 PolarHBondContact O-N 2.87Å; K253-T257 PolarHBondContact O-OG1 2.89Å; P254-T257 PolarHBondContact O-N 3Å; T257-V260 PolarHBondContact O-N 3.23Å; T257-N261 VanDerWaalsContact O-CB 3.28Å; T257-N261 WeakPolarHBondContact O-CB 3.26Å; T257-N261 PolarHBondContact O-N 2.76Å |
| 258 | I | 92.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.062 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 177.4 | -69.3 | 164.5 | 0 | 0 | 0 | 111.1 | F192 L193 L195 D196 P254 I255 V256 N261 Y262 | F192-I258 HydrophobicContact CB-CD1 4.32Å; F192-I258 HydrophobicContact CB-CG2 4.47Å; L193-I258 HydrophobicContact CD2-CD1 3.94Å; L193-I258 HydrophobicContact CG-CD1 4.39Å; L195-I258 HydrophobicContact CD2-CG2 3.71Å; D196-I258 HydrophobicContact CB-CD1 4.08Å; D196-I258 HydrophobicContact CB-CG1 4Å; D196-I258 HydrophobicContact CB-CG2 3.9Å; P254-I258 WeakPolarHBondContact O-CD1 2.93Å; P254-I258 VanDerWaalsContact O-CG1 3.25Å; P254-I258 WeakPolarHBondContact O-CG1 3.27Å; P254-I258 PolarHBondContact O-N 3.25Å; I255-I258 PolarHBondContact O-N 3.31Å; V256-I258 PolarHBondContact O-N 2.85Å; I258-N261 PolarHBondContact O-N 3.37Å; I258-Y262 WeakPolarHBondContact O-CB 3.28Å; I258-Y262 PolarHBondContact O-N 2.87Å |
| 259 | V | 93.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.6 | -39.2 | -179.3 | 173 | 0 | 0 | 0 | 0 | 111.8 | F192 I229 L233 I255 V256 Y262 L263 L288 L292 | F192-V259 HydrophobicContact CD1-CG2 3.74Å; F192-V259 HydrophobicContact CE1-CG2 3.44Å; F192-V259 VanDerWaalsContact CE1-CG2 3.44Å; F192-V259 HydrophobicContact CZ-CG2 4.34Å; I229-V259 HydrophobicContact CG2-CB 4.49Å; I229-V259 HydrophobicContact CG2-CG1 3.77Å; I229-V259 HydrophobicContact CG2-CG2 3.8Å; L233-V259 HydrophobicContact CD1-CG1 4.46Å; L233-V259 HydrophobicContact CD1-CG2 4.4Å; I255-V259 HydrophobicContact CG2-CG2 4.49Å; I255-V259 WeakPolarHBondContact O-CG2 3.43Å; I255-V259 PolarHBondContact O-N 2.95Å; V256-V259 PolarHBondContact O-N 3.47Å; V259-Y262 PolarHBondContact O-N 2.94Å; V259-L263 HydrophobicContact CG1-CD1 4.08Å; V259-L263 HydrophobicContact CG1-CG 4.31Å; V259-L263 WeakPolarHBondContact O-CB 3.1Å; V259-L263 VanDerWaalsContact O-CG 3.26Å; V259-L263 WeakPolarHBondContact O-CG 3.34Å; V259-L263 PolarHBondContact O-N 3.3Å; V259-L288 HydrophobicContact CG1-CD1 4.46Å; V259-L292 HydrophobicContact CB-CD2 4.2Å; V259-L292 HydrophobicContact CG1-CD1 3.98Å; V259-L292 HydrophobicContact CG1-CD2 3.88Å; V259-L292 HydrophobicContact CG1-CG 4.46Å |
| 260 | V | 92.3 | Very high | 90.5 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 19% | 0.194 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 174 | 168.7 | 0 | 0 | 0 | 0 | 111 | V256 T257 L263 S264 I310 L313 | V256-V260 HydrophobicContact CG1-CG2 4.28Å; V256-V260 WeakPolarHBondContact O-CB 3.45Å; V256-V260 VanDerWaalsContact O-CG2 3.3Å; V256-V260 WeakPolarHBondContact O-CG2 3.13Å; V256-V260 PolarHBondContact O-N 2.89Å; T257-V260 PolarHBondContact O-N 3.23Å; V260-L263 PolarHBondContact O-N 2.92Å; V260-S264 PolarHBondContact O-N 3.43Å; V260-S264 VanDerWaalsContact O-N 3.1Å; V260-S264 PolarHBondContact O-OG 3.32Å; V260-I310 HydrophobicContact CG2-CD1 4.26Å; V260-I310 HydrophobicContact CG2-CG1 3.79Å; V260-L313 HydrophobicContact CG1-CD1 3.79Å |
| 261 | N | 90.7 | Very high | 90 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | 174.9 | -173 | 40.4 | 0 | 0 | 0 | 112.8 | T257 I258 S264 H265 | T257-N261 VanDerWaalsContact O-CB 3.28Å; T257-N261 WeakPolarHBondContact O-CB 3.26Å; T257-N261 PolarHBondContact O-N 2.76Å; I258-N261 PolarHBondContact O-N 3.37Å; N261-S264 PolarHBondContact O-OG 2.81Å; N261-H265 PolarHBondContact O-N 3.35Å; N261-H265 PolarHBondContact O-ND1 2.99Å; N261-H265 PolarHBondContact OD1-CE1 3.31Å; N261-H265 PolarHBondContact OD1-ND1 3Å; N261-H265 VanDerWaalsContact OD1-ND1 3.13Å |
| 262 | Y | 89.7 | Confident | 89.3 | Confident | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.3 | -42.5 | 175.9 | -177.2 | -112.4 | 0 | 0 | 0 | 112.1 | L195 Y199 F223 L224 L226 I229 I258 V259 H265 L266 | L195-Y262 HydrophobicContact CD1-CD2 4.48Å; L195-Y262 HydrophobicContact CD1-CE1 4.48Å; L195-Y262 HydrophobicContact CD1-CE2 4.28Å; L195-Y262 HydrophobicContact CD2-CD2 3.91Å; L195-Y262 HydrophobicContact CD2-CE2 4.4Å; L195-Y262 HydrophobicContact CD2-CG 4.11Å; L195-Y262 HydrophobicContact CG-CD2 4.5Å; Y199-Y262 HydrophobicContact CD2-CD2 4.32Å; F223-Y262 WeakPolarHBondContact CD2-OH 3.43Å; F223-Y262 WeakPolarHBondContact CE2-OH 3.37Å; L224-Y262 PolarHBondContact O-OH 3.26Å; L226-Y262 HydrophobicContact CD2-CD1 4.36Å; L226-Y262 HydrophobicContact CD2-CE1 4.01Å; I229-Y262 HydrophobicContact CD1-CD1 3.61Å; I229-Y262 HydrophobicContact CD1-CE1 3.49Å; I229-Y262 VanDerWaalsContact CD1-CE1 3.49Å; I258-Y262 WeakPolarHBondContact O-CB 3.28Å; I258-Y262 PolarHBondContact O-N 2.87Å; V259-Y262 PolarHBondContact O-N 2.94Å; Y262-H265 PolarHBondContact O-N 3.01Å; Y262-L266 HydrophobicContact CD1-CD2 4.18Å; Y262-L266 HydrophobicContact CE1-CD2 3.89Å; Y262-L266 WeakPolarHBondContact O-CG 3.3Å; Y262-L266 PolarHBondContact O-N 3.38Å; Y262-L266 VanDerWaalsContact O-N 3.15Å |
| 263 | L | 90.1 | Very high | 88.5 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 178.5 | -74.3 | 174.5 | 0 | 0 | 0 | 112.5 | L226 V259 V260 L266 L288 L292 V317 | L226-L263 HydrophobicContact CD1-CD2 4.45Å; L226-L263 HydrophobicContact CD2-CD2 3.7Å; V259-L263 HydrophobicContact CG1-CD1 4.08Å; V259-L263 HydrophobicContact CG1-CG 4.31Å; V259-L263 WeakPolarHBondContact O-CB 3.1Å; V259-L263 VanDerWaalsContact O-CG 3.26Å; V259-L263 WeakPolarHBondContact O-CG 3.34Å; V259-L263 PolarHBondContact O-N 3.3Å; V260-L263 PolarHBondContact O-N 2.92Å; L263-L266 HydrophobicContact CD2-CD1 4.2Å; L263-L288 HydrophobicContact CD1-CD2 4.24Å; L263-L288 HydrophobicContact CD2-CD2 4.07Å; L263-L292 HydrophobicContact CD1-CD1 3.71Å; L263-V317 HydrophobicContact CD2-CG2 4.34Å |
| 264 | S | 87.9 | Confident | 87.8 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68 | -33.2 | 178.4 | 60 | 0 | 0 | 0 | 0 | 113.1 | V260 N261 | V260-S264 PolarHBondContact O-N 3.43Å; V260-S264 VanDerWaalsContact O-N 3.1Å; V260-S264 PolarHBondContact O-OG 3.32Å; N261-S264 PolarHBondContact O-OG 2.81Å |
| 265 | H | 85.1 | Confident | 87 | Confident | 89 Ų | 89 | 38.6 Ų | 38.6 | 41% | 0.412 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 14 | -177.4 | -58.1 | 98.3 | 0 | 0 | 0 | 115.4 | Y199 N261 Y262 T267 | Y199-H265 HydrophobicContact CE2-CB 4.34Å; Y199-H265 VanDerWaalsContact OH-CB 3.25Å; Y199-H265 WeakPolarHBondContact OH-CB 3.48Å; N261-H265 PolarHBondContact O-N 3.35Å; N261-H265 PolarHBondContact O-ND1 2.99Å; N261-H265 PolarHBondContact OD1-CE1 3.31Å; N261-H265 PolarHBondContact OD1-ND1 3Å; N261-H265 VanDerWaalsContact OD1-ND1 3.13Å; Y262-H265 PolarHBondContact O-N 3.01Å; H265-T267 PolarHBondContact O-N 2.73Å |
| 266 | L | 87.2 | Confident | 85.7 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | trans | -51.8 | 131.5 | 173.8 | -73.5 | 176 | 0 | 0 | 0 | 111.4 | L226 Y262 L263 I271 V317 R320 | L226-L266 HydrophobicContact CD1-CD1 3.95Å; L226-L266 HydrophobicContact CD2-CD1 4.22Å; L226-L266 HydrophobicContact CD2-CD2 4.34Å; Y262-L266 HydrophobicContact CD1-CD2 4.18Å; Y262-L266 HydrophobicContact CE1-CD2 3.89Å; Y262-L266 WeakPolarHBondContact O-CG 3.3Å; Y262-L266 PolarHBondContact O-N 3.38Å; Y262-L266 VanDerWaalsContact O-N 3.15Å; L263-L266 HydrophobicContact CD2-CD1 4.2Å; L266-I271 HydrophobicContact CB-CD1 4.41Å; L266-I271 HydrophobicContact CB-CG1 4.42Å; L266-V317 HydrophobicContact CD1-CG1 4.38Å; L266-V317 HydrophobicContact CD1-CG2 4.11Å; L266-R320 PolarHBondContact O-NH1 2.89Å; L266-R320 PolarHBondContact O-NH2 2.81Å | ||
| 267 | T | 85.7 | Confident | 84.3 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | trans | -86.9 | 154.2 | 173.2 | 62.5 | 0 | 0 | 0 | 0 | 111.8 | H265 D269 Q270 I271 | H265-T267 PolarHBondContact O-N 2.73Å; T267-D269 PolarHBondContact O-N 2.99Å; T267-Q270 WeakPolarHBondContact O-CB 3.24Å; T267-Q270 PolarHBondContact O-N 2.99Å; T267-Q270 VanDerWaalsContact O-N 3.08Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.4Å; T267-Q270 PolarHBondContact OG1-N 3.41Å; T267-Q270 PolarHBondContact OG1-OE1 3.05Å; T267-I271 PolarHBondContact O-N 3.08Å | ||
| 268 | D | 83.1 | Confident | 82.3 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59 | -29.8 | 178.3 | -76 | 6.2 | 0 | 0 | 0 | 112.6 | I271 K272 R320 L324 | D268-I271 PolarHBondContact O-N 3.41Å; D268-K272 WeakPolarHBondContact O-CB 3.29Å; D268-K272 WeakPolarHBondContact O-CE 3.4Å; D268-K272 WeakPolarHBondContact O-CG 3.39Å; D268-K272 PolarHBondContact O-N 3.46Å; D268-R320 IonicContact OD1-CZ 2.86Å; D268-R320 IonicContact OD1-NE 2.64Å; D268-R320 IonicContact OD1-NH2 2.71Å; D268-R320 PolarHBondContact OD1-NH2 3.02Å; D268-L324 HydrophobicContact CB-CD1 3.75Å |
| 269 | D | 81.7 | Confident | 80.4 | Confident | 100 Ų | 100 | 64 Ų | 64 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -79.6 | -27.6 | 178.3 | -59.5 | -42.3 | 0 | 0 | 0 | 112.8 | T267 K272 R273 | T267-D269 PolarHBondContact O-N 2.99Å; D269-K272 WeakPolarHBondContact OD1-CD 3.45Å; D269-K272 IonicContact OD1-NZ 3.68Å; D269-K272 PolarHBondContact OD1-NZ 2.97Å; D269-R273 WeakPolarHBondContact O-CG 3.45Å; D269-R273 PolarHBondContact O-N 3.09Å; D269-R273 VanDerWaalsContact O-N 3.1Å |
| 270 | Q | 83.4 | Confident | 78.6 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 164.5 | -75.1 | 162.9 | -61.2 | 0 | 0 | 110.4 | F223 T267 K272 R273 E274 | F223-Q270 HydrophobicContact CD2-CB 4.37Å; F223-Q270 HydrophobicContact CD2-CG 3.84Å; F223-Q270 HydrophobicContact CE2-CB 3.59Å; F223-Q270 HydrophobicContact CE2-CG 3.53Å; F223-Q270 HydrophobicContact CZ-CB 3.93Å; F223-Q270 HydrophobicContact CZ-CG 4.31Å; T267-Q270 WeakPolarHBondContact O-CB 3.24Å; T267-Q270 PolarHBondContact O-N 2.99Å; T267-Q270 VanDerWaalsContact O-N 3.08Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.4Å; T267-Q270 PolarHBondContact OG1-N 3.41Å; T267-Q270 PolarHBondContact OG1-OE1 3.05Å; Q270-K272 PolarHBondContact O-N 2.7Å; Q270-R273 WeakPolarHBondContact O-CB 3.47Å; Q270-R273 PolarHBondContact O-N 3.1Å; Q270-E274 PolarHBondContact O-N 3.43Å |
| 271 | I | 83.7 | Confident | 77.1 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 176.8 | -62.4 | 175.5 | 0 | 0 | 0 | 111.1 | L266 T267 D268 R273 E274 T275 R320 F321 L324 | L266-I271 HydrophobicContact CB-CD1 4.41Å; L266-I271 HydrophobicContact CB-CG1 4.42Å; T267-I271 PolarHBondContact O-N 3.08Å; D268-I271 PolarHBondContact O-N 3.41Å; I271-R273 PolarHBondContact O-N 3.18Å; I271-E274 CarbonylContact O-C 3.53Å; I271-E274 WeakPolarHBondContact O-CA 3.31Å; I271-E274 WeakPolarHBondContact O-CB 3.46Å; I271-E274 PolarHBondContact O-N 2.67Å; I271-T275 HydrophobicContact CG2-CG2 4.5Å; I271-T275 PolarHBondContact O-N 3.37Å; I271-R320 HydrophobicContact CD1-CB 3.73Å; I271-F321 HydrophobicContact CB-CE2 4.28Å; I271-F321 HydrophobicContact CD1-CD2 4.39Å; I271-F321 HydrophobicContact CD1-CE2 4.42Å; I271-F321 HydrophobicContact CG1-CD2 4.28Å; I271-F321 HydrophobicContact CG1-CE2 3.9Å; I271-F321 HydrophobicContact CG2-CD1 4.45Å; I271-F321 HydrophobicContact CG2-CD2 3.63Å; I271-F321 HydrophobicContact CG2-CE2 3.74Å; I271-F321 HydrophobicContact CG2-CG 4.01Å; I271-F321 HydrophobicContact CG2-CZ 4.19Å; I271-L324 HydrophobicContact CB-CD1 3.94Å; I271-L324 HydrophobicContact CD1-CD1 4.41Å; I271-L324 HydrophobicContact CG2-CB 4.19Å; I271-L324 HydrophobicContact CG2-CD1 3.81Å |
| 272 | K | 81.7 | Confident | 75.7 | Confident | 77 Ų | 77 | 72.4 Ų | 72.4 | 34% | 0.335 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -21 | 174.4 | -69.8 | 164.9 | -145.8 | 157.6 | 0 | 114.2 | D268 D269 Q270 T275 K276 L324 | D268-K272 WeakPolarHBondContact O-CB 3.29Å; D268-K272 WeakPolarHBondContact O-CE 3.4Å; D268-K272 WeakPolarHBondContact O-CG 3.39Å; D268-K272 PolarHBondContact O-N 3.46Å; D269-K272 WeakPolarHBondContact OD1-CD 3.45Å; D269-K272 IonicContact OD1-NZ 3.68Å; D269-K272 PolarHBondContact OD1-NZ 2.97Å; Q270-K272 PolarHBondContact O-N 2.7Å; K272-T275 WeakPolarHBondContact CA-OG1 3.25Å; K272-T275 PolarHBondContact O-OG1 3Å; K272-K276 WeakPolarHBondContact O-CG 3.45Å; K272-L324 HydrophobicContact CG-CB 4.48Å |
| 273 | R | 79.9 | Confident | 74.9 | Confident | 102 Ų | 102 | 75.4 Ų | 75.4 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -76.3 | -33.6 | 169.7 | -74 | -174 | -65.6 | -162.2 | 5.8 | 111.2 | F223 D269 Q270 I271 K276 | F223-R273 HydrophobicContact CD1-CB 4.32Å; F223-R273 HydrophobicContact CE1-CB 4.09Å; D269-R273 WeakPolarHBondContact O-CG 3.45Å; D269-R273 PolarHBondContact O-N 3.09Å; D269-R273 VanDerWaalsContact O-N 3.1Å; Q270-R273 WeakPolarHBondContact O-CB 3.47Å; Q270-R273 PolarHBondContact O-N 3.1Å; I271-R273 PolarHBondContact O-N 3.18Å; R273-K276 PolarHBondContact O-N 2.85Å |
| 274 | E | 79.8 | Confident | 74.6 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -79.9 | -13 | 174.8 | -58.4 | -72.1 | -113.2 | 0 | 0 | 114.2 | F223 S225 L226 Q270 I271 K277 R280 F321 | F223-E274 HydrophobicContact CE1-CG 3.7Å; F223-E274 WeakPolarHBondContact CE1-OE2 3.35Å; F223-E274 HydrophobicContact CZ-CG 3.64Å; S225-E274 WeakPolarHBondContact CA-OE1 3.36Å; S225-E274 VanDerWaalsContact CB-CD 3.46Å; S225-E274 WeakPolarHBondContact CB-OE1 3.4Å; S225-E274 VanDerWaalsContact CB-OE2 3.27Å; S225-E274 WeakPolarHBondContact CB-OE2 3.44Å; L226-E274 PolarHBondContact N-OE1 3.19Å; Q270-E274 PolarHBondContact O-N 3.43Å; I271-E274 CarbonylContact O-C 3.53Å; I271-E274 WeakPolarHBondContact O-CA 3.31Å; I271-E274 WeakPolarHBondContact O-CB 3.46Å; I271-E274 PolarHBondContact O-N 2.67Å; E274-K277 IonicContact OE2-NZ 2.88Å; E274-K277 PolarHBondContact OE2-NZ 3.45Å; E274-R280 PolarHBondContact O-NH2 3.05Å; E274-F321 HydrophobicContact CB-CE1 3.77Å; E274-F321 HydrophobicContact CB-CZ 3.64Å; E274-F321 HydrophobicContact CG-CZ 4.2Å |
| 275 | T | 75.7 | Confident | 74.6 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 17% | 0.166 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -14.9 | 169.6 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | I271 K272 S325 | I271-T275 HydrophobicContact CG2-CG2 4.5Å; I271-T275 PolarHBondContact O-N 3.37Å; K272-T275 WeakPolarHBondContact CA-OG1 3.25Å; K272-T275 PolarHBondContact O-OG1 3Å; T275-S325 WeakPolarHBondContact CG2-OG 3.45Å |
| 276 | K | 69.4 | Low | 74.8 | Confident | 168 Ų | 168 | 69.6 Ų | 69.6 | 73% | 0.73 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -90.2 | -14.7 | 176.8 | -70.7 | 177 | -179.9 | -176.1 | 0 | 114.4 | K272 R273 E278 | K272-K276 WeakPolarHBondContact O-CG 3.45Å; R273-K276 PolarHBondContact O-N 2.85Å; K276-E278 PolarHBondContact O-N 3.2Å |
| 277 | K | 64.6 | Low | 74.9 | Confident | 96 Ų | 96 | 70 Ų | 70 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | trans | -82.8 | 86.4 | 171.5 | -66.6 | 175.9 | -174 | 160.5 | 0 | 108.5 | S225 E274 M279 | S225-K277 PolarHBondContact OG-NZ 3.07Å; S225-K277 VanDerWaalsContact OG-NZ 3.16Å; E274-K277 IonicContact OE2-NZ 2.88Å; E274-K277 PolarHBondContact OE2-NZ 3.45Å; K277-M279 PolarHBondContact O-N 3.26Å | ||
| 278 | E | 51.3 | Low | 75.2 | Confident | 183 Ų | 183 | 67.8 Ų | 67.8 | 86% | 0.855 | 32% | 0.323 | S | S | * | . | trans | -62.3 | -28.5 | -169.6 | -62.2 | -176.9 | 133.1 | 0 | 0 | 113.8 | K276 R280 | K276-E278 PolarHBondContact O-N 3.2Å; E278-R280 VanDerWaalsContact C-N 3.28Å; E278-R280 PolarHBondContact O-N 2.98Å | ||
| 279 | M | 52.6 | Low | 75.6 | Confident | 194 Ų | 194 | 64.8 Ų | 64.8 | 96% | 0.956 | 31% | 0.306 | S | S | * | . | trans | -79.5 | 68.5 | 178.9 | -165.5 | 179.7 | -176.3 | 0 | 0 | 112.4 | K277 | K277-M279 PolarHBondContact O-N 3.26Š| ||
| 280 | R | 56 | Low | 76.1 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | trans | -76.9 | 127.9 | 169.2 | -67.2 | -178.7 | 175.4 | 178.9 | -1.8 | 110.2 | E274 E278 F284 F321 | E274-R280 PolarHBondContact O-NH2 3.05Å; E278-R280 VanDerWaalsContact C-N 3.28Å; E278-R280 PolarHBondContact O-N 2.98Å; R280-F284 HydrophobicContact CG-CE1 4.46Å; R280-F321 VanDerWaalsContact NH2-CD1 3.34Å | ||
| 281 | K | 59.1 | Low | 76.7 | Confident | 151 Ų | 151 | 63.6 Ų | 63.6 | 66% | 0.657 | 30% | 0.3 | S | S | * | . | trans | -67.4 | 128.7 | 149.1 | -76.7 | -177.2 | 179.4 | 176.5 | 0 | 105.9 | E69 D283 | E69-K281 IonicContact OE2-NZ 3.35Å; E69-K281 PolarHBondContact OE2-NZ 3.29Å; K281-D283 PolarHBondContact O-N 2.78Å | ||
| 282 | D | 61.9 | Low | 77.2 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -2.6 | -165.2 | -91.5 | -26.3 | 0 | 0 | 0 | 116.2 | N332 E336 R339 | D282-N332 PolarHBondContact OD1-ND2 2.9Å; D282-E336 WeakPolarHBondContact O-CG 3.5Å; D282-R339 PolarHBondContact O-NH2 2.75Å |
| 283 | D | 73.6 | Confident | 77.8 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 40% | 0.401 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 18.7 | -169 | -74.5 | -55.7 | 0 | 0 | 0 | 114.4 | K281 I285 T286 G287 R339 | K281-D283 PolarHBondContact O-N 2.78Å; D283-I285 PolarHBondContact O-N 3.37Å; D283-T286 PolarHBondContact O-N 3.15Å; D283-G287 PolarHBondContact O-N 3.41Å; D283-R339 WeakPolarHBondContact OD1-CD 3.46Å; D283-R339 IonicContact OD1-CZ 2.86Å; D283-R339 VanDerWaalsContact OD1-CZ 3.25Å; D283-R339 IonicContact OD1-NE 2.68Å; D283-R339 PolarHBondContact OD1-NE 2.77Å; D283-R339 IonicContact OD1-NH2 2.68Å; D283-R339 PolarHBondContact OD1-NH2 2.85Å |
| 284 | F | 82.9 | Confident | 78.5 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.7 | -29.4 | -171.5 | 81.8 | -86.1 | 0 | 0 | 0 | 114 | L226 R280 L288 F321 | L226-F284 HydrophobicContact CB-CD2 4.04Å; L226-F284 HydrophobicContact CB-CE2 3.63Å; L226-F284 HydrophobicContact CD1-CE2 4.26Å; R280-F284 HydrophobicContact CG-CE1 4.46Å; F284-L288 WeakPolarHBondContact O-CB 3.25Å; F284-L288 PolarHBondContact O-N 3.1Å; F284-F321 AromaticContact CZ-CE1 3.91Å; F284-F321 HydrophobicContact CZ-CE1 3.91Å; F284-F321 HydrophobicContact CZ-CZ 4.28Å |
| 285 | I | 88.4 | Confident | 79.2 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -78.2 | -40.2 | 175.1 | -51.4 | 172.3 | 0 | 0 | 0 | 109.9 | D283 L288 K289 V317 I318 F321 E336 | D283-I285 PolarHBondContact O-N 3.37Å; I285-L288 PolarHBondContact O-N 3.41Å; I285-K289 WeakPolarHBondContact O-CB 3.18Å; I285-K289 PolarHBondContact O-N 3.27Å; I285-V317 HydrophobicContact CD1-CG1 4.31Å; I285-I318 HydrophobicContact CB-CD1 4.1Å; I285-I318 HydrophobicContact CB-CG1 4.32Å; I285-I318 HydrophobicContact CD1-CD1 4.02Å; I285-I318 HydrophobicContact CD1-CG1 3.95Å; I285-I318 HydrophobicContact CG2-CD1 4.11Å; I285-I318 HydrophobicContact CG2-CG1 3.83Å; I285-F321 HydrophobicContact CD1-CD1 4.5Å; I285-F321 HydrophobicContact CD1-CG 4.38Å; I285-E336 VanDerWaalsContact CB-OE2 3.31Å; I285-E336 WeakPolarHBondContact CB-OE2 3.45Å; I285-E336 WeakPolarHBondContact CG1-OE2 3.36Å; I285-E336 PolarHBondContact N-OE2 3.16Å |
| 286 | T | 88.5 | Confident | 80.1 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 172.1 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | D283 K289 L290 L340 | D283-T286 PolarHBondContact O-N 3.15Å; T286-K289 PolarHBondContact O-N 2.94Å; T286-L290 HydrophobicContact CG2-CD1 4.11Å; T286-L290 WeakPolarHBondContact O-CB 3.42Å; T286-L290 VanDerWaalsContact O-CG 3.27Å; T286-L290 WeakPolarHBondContact O-CG 3.49Å; T286-L290 PolarHBondContact O-N 3.13Å; T286-L340 HydrophobicContact CG2-CD2 4.19Å |
| 287 | G | 89.7 | Confident | 81.2 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N230 D283 L290 S291 | N230-G287 PolarHBondContact OD1-O 3.02Å; D283-G287 PolarHBondContact O-N 3.41Å; G287-L290 PolarHBondContact O-N 2.86Å; G287-S291 VanDerWaalsContact O-CB 3.29Å; G287-S291 WeakPolarHBondContact O-CB 3.45Å; G287-S291 PolarHBondContact O-N 2.9Å; G287-S291 PolarHBondContact O-OG 3.3Å |
| 288 | L | 92.1 | Very high | 82.5 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 176.8 | -178.6 | 56 | 0 | 0 | 0 | 110.9 | I229 N230 L233 V259 L263 F284 I285 S291 L292 | I229-L288 HydrophobicContact CG2-CD1 3.81Å; N230-L288 HydrophobicContact CB-CB 4.21Å; N230-L288 HydrophobicContact CB-CD1 4.48Å; N230-L288 WeakPolarHBondContact OD1-CA 3.41Å; N230-L288 PolarHBondContact OD1-N 3.04Å; L233-L288 HydrophobicContact CD1-CD1 3.92Å; V259-L288 HydrophobicContact CG1-CD1 4.46Å; L263-L288 HydrophobicContact CD1-CD2 4.24Å; L263-L288 HydrophobicContact CD2-CD2 4.07Å; F284-L288 WeakPolarHBondContact O-CB 3.25Å; F284-L288 PolarHBondContact O-N 3.1Å; I285-L288 PolarHBondContact O-N 3.41Å; L288-S291 PolarHBondContact O-N 2.99Å; L288-L292 HydrophobicContact CD1-CD1 3.95Å; L288-L292 HydrophobicContact CD1-CG 4.08Å; L288-L292 HydrophobicContact CG-CD1 3.96Å; L288-L292 WeakPolarHBondContact O-CB 3.42Å; L288-L292 VanDerWaalsContact O-CG 3.31Å; L288-L292 WeakPolarHBondContact O-CG 3.31Å; L288-L292 PolarHBondContact O-N 2.98Å |
| 289 | K | 92.5 | Very high | 84.5 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.6 | -52.2 | 172.4 | -174.6 | -144.4 | 168.9 | -163 | 0 | 110.8 | I285 T286 S291 L292 C293 I310 E311 S314 L340 N343 T344 | I285-K289 WeakPolarHBondContact O-CB 3.18Å; I285-K289 PolarHBondContact O-N 3.27Å; T286-K289 PolarHBondContact O-N 2.94Å; K289-S291 VanDerWaalsContact C-N 3.32Å; K289-S291 PolarHBondContact O-N 2.72Å; K289-L292 PolarHBondContact O-N 3.29Å; K289-C293 WeakPolarHBondContact O-CB 3.44Å; K289-C293 PolarHBondContact O-N 3.4Å; K289-C293 PolarHBondContact O-SG 2.96Å; K289-I310 HydrophobicContact CG-CG2 4.43Å; K289-E311 WeakPolarHBondContact CE-OE1 3.49Å; K289-E311 IonicContact NZ-OE1 2.9Å; K289-E311 PolarHBondContact NZ-OE1 3.13Å; K289-S314 WeakPolarHBondContact CB-OG 3.27Å; K289-S314 WeakPolarHBondContact CG-OG 3.21Å; K289-L340 HydrophobicContact CD-CD2 3.82Å; K289-N343 PolarHBondContact NZ-O 2.75Å; K289-T344 HydrophobicContact CD-CG2 4.48Å; K289-T344 VanDerWaalsContact NZ-CG2 3.3Å |
| 290 | L | 92.2 | Very high | 85.9 | Confident | 94 Ų | 94 | 40.6 Ų | 40.6 | 49% | 0.492 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 179.7 | -73.3 | 169.3 | 0 | 0 | 0 | 111.9 | T286 G287 T294 | T286-L290 HydrophobicContact CG2-CD1 4.11Å; T286-L290 WeakPolarHBondContact O-CB 3.42Å; T286-L290 VanDerWaalsContact O-CG 3.27Å; T286-L290 WeakPolarHBondContact O-CG 3.49Å; T286-L290 PolarHBondContact O-N 3.13Å; G287-L290 PolarHBondContact O-N 2.86Å; L290-T294 VanDerWaalsContact O-CB 3.24Å; L290-T294 WeakPolarHBondContact O-CB 3.46Å; L290-T294 PolarHBondContact O-N 3.38Å; L290-T294 PolarHBondContact O-OG1 2.89Å |
| 291 | S | 94.7 | Very high | 87.1 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67 | -45.4 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | G287 L288 K289 L295 | G287-S291 VanDerWaalsContact O-CB 3.29Å; G287-S291 WeakPolarHBondContact O-CB 3.45Å; G287-S291 PolarHBondContact O-N 2.9Å; G287-S291 PolarHBondContact O-OG 3.3Å; L288-S291 PolarHBondContact O-N 2.99Å; K289-S291 VanDerWaalsContact C-N 3.32Å; K289-S291 PolarHBondContact O-N 2.72Å; S291-L295 WeakPolarHBondContact O-CB 3.43Å; S291-L295 VanDerWaalsContact O-CG 3.31Å; S291-L295 WeakPolarHBondContact O-CG 3.42Å; S291-L295 PolarHBondContact O-N 3.45Å |
| 292 | L | 95.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -53.8 | 175 | -72.2 | 169.6 | 0 | 0 | 0 | 111.4 | L233 V256 V259 L263 L288 K289 T294 L295 T296 I310 | L233-L292 HydrophobicContact CD1-CD2 3.71Å; L233-L292 HydrophobicContact CD1-CG 4.2Å; V256-L292 HydrophobicContact CG1-CD2 4.44Å; V256-L292 HydrophobicContact CG2-CD2 4.24Å; V259-L292 HydrophobicContact CB-CD2 4.2Å; V259-L292 HydrophobicContact CG1-CD1 3.98Å; V259-L292 HydrophobicContact CG1-CD2 3.88Å; V259-L292 HydrophobicContact CG1-CG 4.46Å; L263-L292 HydrophobicContact CD1-CD1 3.71Å; L288-L292 HydrophobicContact CD1-CD1 3.95Å; L288-L292 HydrophobicContact CD1-CG 4.08Å; L288-L292 HydrophobicContact CG-CD1 3.96Å; L288-L292 WeakPolarHBondContact O-CB 3.42Å; L288-L292 VanDerWaalsContact O-CG 3.31Å; L288-L292 WeakPolarHBondContact O-CG 3.31Å; L288-L292 PolarHBondContact O-N 2.98Å; K289-L292 PolarHBondContact O-N 3.29Å; L292-T294 VanDerWaalsContact C-N 3.26Å; L292-T294 PolarHBondContact O-N 3.4Å; L292-L295 PolarHBondContact O-N 2.84Å; L292-T296 VanDerWaalsContact O-CB 3.27Å; L292-T296 WeakPolarHBondContact O-CB 3.17Å; L292-T296 PolarHBondContact O-N 3.34Å; L292-T296 PolarHBondContact O-OG1 2.79Å; L292-I310 HydrophobicContact CB-CD1 4.26Å; L292-I310 HydrophobicContact CB-CG2 3.78Å; L292-I310 HydrophobicContact CD1-CG2 4.26Å |
| 293 | C | 93.4 | Very high | 89.6 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.3 | -36.5 | -179.8 | -68.9 | 0 | 0 | 0 | 0 | 112.8 | K289 K297 I307 I310 | K289-C293 WeakPolarHBondContact O-CB 3.44Å; K289-C293 PolarHBondContact O-N 3.4Å; K289-C293 PolarHBondContact O-SG 2.96Å; C293-K297 WeakPolarHBondContact O-CB 3Å; C293-K297 WeakPolarHBondContact O-CD 3.2Å; C293-K297 WeakPolarHBondContact O-CG 3.35Å; C293-K297 PolarHBondContact O-N 2.98Å; C293-I307 HydrophobicContact CB-CG2 4.47Å; C293-I310 VanDerWaalsContact SG-CG2 3.57Å |
| 294 | T | 93.9 | Very high | 90.1 | Very high | 49 Ų | 49 | 39.6 Ų | 39.6 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.8 | -41.8 | 178 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | A237 S240 L290 L292 | A237-T294 WeakPolarHBondContact O-CG2 3.31Å; S240-T294 VanDerWaalsContact OG-CG2 3.25Å; S240-T294 WeakPolarHBondContact OG-CG2 3.37Å; L290-T294 VanDerWaalsContact O-CB 3.24Å; L290-T294 WeakPolarHBondContact O-CB 3.46Å; L290-T294 PolarHBondContact O-N 3.38Å; L290-T294 PolarHBondContact O-OG1 2.89Å; L292-T294 VanDerWaalsContact C-N 3.26Å; L292-T294 PolarHBondContact O-N 3.4Å |
| 295 | L | 95.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -45 | 174.3 | -70.6 | 168.9 | 0 | 0 | 0 | 111.4 | L233 F236 A237 F252 V256 S291 L292 K297 R298 I299 | L233-L295 HydrophobicContact CB-CD1 4.32Å; L233-L295 HydrophobicContact CD2-CD1 4.24Å; F236-L295 HydrophobicContact CB-CD2 4.48Å; A237-L295 HydrophobicContact CB-CG 4.39Å; F252-L295 HydrophobicContact CD1-CD1 4.04Å; F252-L295 HydrophobicContact CD1-CD2 3.89Å; F252-L295 HydrophobicContact CE1-CD2 4.4Å; F252-L295 HydrophobicContact CG-CD2 4.16Å; V256-L295 HydrophobicContact CG2-CB 4.07Å; S291-L295 WeakPolarHBondContact O-CB 3.43Å; S291-L295 VanDerWaalsContact O-CG 3.31Å; S291-L295 WeakPolarHBondContact O-CG 3.42Å; S291-L295 PolarHBondContact O-N 3.45Å; L292-L295 PolarHBondContact O-N 2.84Å; L295-K297 VanDerWaalsContact C-N 3.35Å; L295-K297 PolarHBondContact O-N 3.23Å; L295-R298 WeakPolarHBondContact O-CB 3.35Å; L295-R298 PolarHBondContact O-N 2.8Å; L295-I299 PolarHBondContact O-N 3.21Å |
| 296 | T | 94.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.3 | -45.6 | 176 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | V256 L292 R298 I299 S302 D306 I307 I310 | V256-T296 WeakPolarHBondContact CG1-OG1 3.35Å; L292-T296 VanDerWaalsContact O-CB 3.27Å; L292-T296 WeakPolarHBondContact O-CB 3.17Å; L292-T296 PolarHBondContact O-N 3.34Å; L292-T296 PolarHBondContact O-OG1 2.79Å; T296-R298 PolarHBondContact O-N 2.62Å; T296-R298 VanDerWaalsContact O-N 3.09Å; T296-I299 WeakPolarHBondContact O-CB 3.1Å; T296-I299 PolarHBondContact O-N 2.93Å; T296-S302 WeakPolarHBondContact CG2-OG 3.44Å; T296-S302 VanDerWaalsContact O-CB 3.28Å; T296-S302 WeakPolarHBondContact O-CB 3.45Å; T296-D306 HydrophobicContact CG2-CB 4.09Å; T296-I307 HydrophobicContact CG2-CG1 3.86Å; T296-I310 HydrophobicContact CG2-CD1 3.98Å; T296-I310 WeakPolarHBondContact OG1-CD1 3.35Å |
| 297 | K | 92.9 | Very high | 90.2 | Very high | 146 Ų | 146 | 48 Ų | 48 | 64% | 0.635 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.8 | 175.6 | -78.8 | 171.8 | -179.4 | -178 | 0 | 115 | C293 L295 I307 | C293-K297 WeakPolarHBondContact O-CB 3Å; C293-K297 WeakPolarHBondContact O-CD 3.2Å; C293-K297 WeakPolarHBondContact O-CG 3.35Å; C293-K297 PolarHBondContact O-N 2.98Å; L295-K297 VanDerWaalsContact C-N 3.35Å; L295-K297 PolarHBondContact O-N 3.23Å; K297-I307 HydrophobicContact CD-CD1 4.33Å; K297-I307 HydrophobicContact CG-CD1 3.55Å; K297-I307 HydrophobicContact CG-CG1 4.33Å |
| 298 | R | 92.3 | Very high | 90.1 | Very high | 49 Ų | 49 | 48.8 Ų | 48.8 | 19% | 0.185 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -16.8 | 173.7 | -73.9 | -74.9 | -66.5 | 113.5 | -2.9 | 113.3 | S240 L243 D245 I248 L295 T296 P300 | S240-R298 PolarHBondContact O-NE 2.89Å; L243-R298 PolarHBondContact O-NH2 2.83Å; D245-R298 IonicContact OD1-CZ 3.54Å; D245-R298 IonicContact OD1-NH1 2.61Å; D245-R298 PolarHBondContact OD1-NH1 3.03Å; D245-R298 IonicContact OD1-NH2 3.32Å; D245-R298 PolarHBondContact OD1-NH2 3.42Å; I248-R298 HydrophobicContact CD1-CB 3.98Å; I248-R298 HydrophobicContact CG1-CB 4.14Å; I248-R298 HydrophobicContact CG2-CB 4.08Å; L295-R298 WeakPolarHBondContact O-CB 3.35Å; L295-R298 PolarHBondContact O-N 2.8Å; T296-R298 PolarHBondContact O-N 2.62Å; T296-R298 VanDerWaalsContact O-N 3.09Å; R298-P300 WeakPolarHBondContact O-CD 3.27Å |
| 299 | I | 92.3 | Very high | 90 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 9% | 0.092 | 28% | 0.28 | C | S | . | . | trans | -72.5 | 118.4 | -179 | -62.7 | 169.8 | 0 | 0 | 0 | 108.9 | I248 K253 V256 L295 T296 S301 S302 | I248-I299 HydrophobicContact CG2-CB 4.27Å; I248-I299 HydrophobicContact CG2-CG1 3.64Å; K253-I299 HydrophobicContact CB-CD1 3.81Å; K253-I299 HydrophobicContact CB-CG1 4.15Å; K253-I299 HydrophobicContact CB-CG2 4.22Å; K253-I299 HydrophobicContact CD-CG2 3.9Å; K253-I299 HydrophobicContact CG-CD1 4.3Å; K253-I299 HydrophobicContact CG-CG2 4.24Å; V256-I299 HydrophobicContact CB-CD1 4.42Å; V256-I299 HydrophobicContact CG1-CD1 4.48Å; L295-I299 PolarHBondContact O-N 3.21Å; T296-I299 WeakPolarHBondContact O-CB 3.1Å; T296-I299 PolarHBondContact O-N 2.93Å; I299-S301 WeakPolarHBondContact CG2-OG 3.27Å; I299-S301 PolarHBondContact O-N 3.01Å; I299-S302 WeakPolarHBondContact O-CB 3.43Å; I299-S302 PolarHBondContact O-N 2.95Å | ||
| 300 | P | 82.9 | Confident | 89.9 | Confident | 98 Ų | 98 | 51.6 Ų | 51.6 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -11.5 | -175.1 | -24.2 | 35.1 | 0 | 0 | 0 | 115.4 | R298 | R298-P300 WeakPolarHBondContact O-CD 3.27Š|
| 301 | S | 81 | Confident | 89.8 | Confident | 63 Ų | 63 | 48 Ų | 48 | 44% | 0.441 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 6.9 | 178.4 | 45.6 | 0 | 0 | 0 | 0 | 113.8 | E249 K253 I299 | E249-S301 PolarHBondContact OE2-OG 3.36Å; K253-S301 PolarHBondContact NZ-OG 3.04Å; I299-S301 WeakPolarHBondContact CG2-OG 3.27Å; I299-S301 PolarHBondContact O-N 3.01Å |
| 302 | S | 86.8 | Confident | 89.6 | Confident | 34 Ų | 34 | 51.4 Ų | 51.4 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | trans | -73.3 | 140.3 | 174.5 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | T296 I299 | T296-S302 WeakPolarHBondContact CG2-OG 3.44Å; T296-S302 VanDerWaalsContact O-CB 3.28Å; T296-S302 WeakPolarHBondContact O-CB 3.45Å; I299-S302 WeakPolarHBondContact O-CB 3.43Å; I299-S302 PolarHBondContact O-N 2.95Å | ||
| 303 | T | 86 | Confident | 89.4 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | trans | -93.5 | 176 | 165.9 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | D305 D306 | T303-D305 PolarHBondContact OG1-N 2.72Å; T303-D306 WeakPolarHBondContact CB-OD2 3.46Å; T303-D306 PolarHBondContact N-OD2 3.29Å; T303-D306 VanDerWaalsContact OG1-CG 3.32Å; T303-D306 PolarHBondContact OG1-N 3.13Å; T303-D306 VanDerWaalsContact OG1-N 3.09Å; T303-D306 PolarHBondContact OG1-OD2 3.49Å | ||
| 304 | E | 84.4 | Confident | 89.3 | Confident | 143 Ų | 143 | 52.5 Ų | 52.5 | 67% | 0.668 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -73 | -31.8 | 166.2 | -169.1 | 164.8 | -164.8 | 0 | 0 | 111.3 | D306 I307 E308 | E304-D306 VanDerWaalsContact C-N 3.29Å; E304-D306 PolarHBondContact O-N 3.09Å; E304-I307 WeakPolarHBondContact O-CB 3.18Å; E304-I307 PolarHBondContact O-N 3.48Å; E304-E308 PolarHBondContact O-N 3.08Å |
| 305 | D | 85.4 | Confident | 89.2 | Confident | 103 Ų | 103 | 50.3 Ų | 50.3 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.5 | -33.7 | 176.2 | -63.6 | -55.6 | 0 | 0 | 0 | 112.7 | T303 I307 E308 T309 | T303-D305 PolarHBondContact OG1-N 2.72Å; D305-I307 VanDerWaalsContact C-N 3.3Å; D305-I307 PolarHBondContact O-N 3.5Å; D305-E308 PolarHBondContact O-N 3.26Å; D305-T309 VanDerWaalsContact O-CB 3.27Å; D305-T309 WeakPolarHBondContact O-CB 3.28Å; D305-T309 PolarHBondContact O-N 3.36Å; D305-T309 PolarHBondContact O-OG1 2.86Å |
| 306 | D | 87.8 | Confident | 89 | Confident | 71 Ų | 71 | 53 Ų | 53 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 173.1 | -67.6 | -66.2 | 0 | 0 | 0 | 111.6 | T296 T303 E304 I310 | T296-D306 HydrophobicContact CG2-CB 4.09Å; T303-D306 WeakPolarHBondContact CB-OD2 3.46Å; T303-D306 PolarHBondContact N-OD2 3.29Å; T303-D306 VanDerWaalsContact OG1-CG 3.32Å; T303-D306 PolarHBondContact OG1-N 3.13Å; T303-D306 VanDerWaalsContact OG1-N 3.09Å; T303-D306 PolarHBondContact OG1-OD2 3.49Å; E304-D306 VanDerWaalsContact C-N 3.29Å; E304-D306 PolarHBondContact O-N 3.09Å; D306-I310 WeakPolarHBondContact O-CD1 3.19Å; D306-I310 WeakPolarHBondContact O-CG1 3.44Å; D306-I310 PolarHBondContact O-N 2.96Å; D306-I310 VanDerWaalsContact O-N 3.13Å |
| 307 | I | 88.9 | Confident | 88.8 | Confident | 28 Ų | 28 | 53 Ų | 53 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.6 | -46.5 | 178.3 | -57.3 | 165.4 | 0 | 0 | 0 | 109.4 | C293 T296 K297 E304 D305 T309 I310 E311 | C293-I307 HydrophobicContact CB-CG2 4.47Å; T296-I307 HydrophobicContact CG2-CG1 3.86Å; K297-I307 HydrophobicContact CD-CD1 4.33Å; K297-I307 HydrophobicContact CG-CD1 3.55Å; K297-I307 HydrophobicContact CG-CG1 4.33Å; E304-I307 WeakPolarHBondContact O-CB 3.18Å; E304-I307 PolarHBondContact O-N 3.48Å; D305-I307 VanDerWaalsContact C-N 3.3Å; D305-I307 PolarHBondContact O-N 3.5Å; I307-T309 VanDerWaalsContact C-N 3.25Å; I307-T309 PolarHBondContact O-N 3.45Å; I307-I310 PolarHBondContact O-N 2.72Å; I307-I310 VanDerWaalsContact O-N 3.13Å; I307-E311 VanDerWaalsContact O-CG 3.28Å; I307-E311 WeakPolarHBondContact O-CG 3.31Å; I307-E311 PolarHBondContact O-N 3.05Å |
| 308 | E | 87.1 | Confident | 88.7 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 15% | 0.15 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -38.1 | 174.7 | -65 | -142.4 | 120.2 | 0 | 0 | 112.1 | E304 D305 E311 L312 N345 R348 | E304-E308 PolarHBondContact O-N 3.08Å; D305-E308 PolarHBondContact O-N 3.26Å; E308-E311 PolarHBondContact O-N 3.47Å; E308-L312 WeakPolarHBondContact O-CB 3.48Å; E308-L312 PolarHBondContact O-N 3.05Å; E308-N345 PolarHBondContact OE1-ND2 2.63Å; E308-R348 VanDerWaalsContact OE1-CG 3.22Å; E308-R348 WeakPolarHBondContact OE1-CG 3.34Å; E308-R348 IonicContact OE1-NE 3.44Å; E308-R348 PolarHBondContact OE1-NE 3.28Å; E308-R348 IonicContact OE2-CZ 3.46Å; E308-R348 IonicContact OE2-NE 2.62Å; E308-R348 PolarHBondContact OE2-NE 2.88Å; E308-R348 IonicContact OE2-NH2 2.66Å; E308-R348 PolarHBondContact OE2-NH2 3.19Å |
| 309 | T | 89.3 | Confident | 88.6 | Confident | 66 Ų | 66 | 46.7 Ų | 46.7 | 41% | 0.405 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | D305 I307 L312 L313 | D305-T309 VanDerWaalsContact O-CB 3.27Å; D305-T309 WeakPolarHBondContact O-CB 3.28Å; D305-T309 PolarHBondContact O-N 3.36Å; D305-T309 PolarHBondContact O-OG1 2.86Å; I307-T309 VanDerWaalsContact C-N 3.25Å; I307-T309 PolarHBondContact O-N 3.45Å; T309-L312 PolarHBondContact O-N 3.34Å; T309-L313 HydrophobicContact CG2-CD1 3.91Å; T309-L313 HydrophobicContact CG2-CG 4.37Å; T309-L313 VanDerWaalsContact O-CB 3.27Å; T309-L313 WeakPolarHBondContact O-CB 3.32Å; T309-L313 WeakPolarHBondContact O-CG 3.36Å; T309-L313 PolarHBondContact O-N 2.98Å |
| 310 | I | 91.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 174.7 | -68 | 159.1 | 0 | 0 | 0 | 111.5 | V260 K289 L292 C293 T296 D306 I307 S314 | V260-I310 HydrophobicContact CG2-CD1 4.26Å; V260-I310 HydrophobicContact CG2-CG1 3.79Å; K289-I310 HydrophobicContact CG-CG2 4.43Å; L292-I310 HydrophobicContact CB-CD1 4.26Å; L292-I310 HydrophobicContact CB-CG2 3.78Å; L292-I310 HydrophobicContact CD1-CG2 4.26Å; C293-I310 VanDerWaalsContact SG-CG2 3.57Å; T296-I310 HydrophobicContact CG2-CD1 3.98Å; T296-I310 WeakPolarHBondContact OG1-CD1 3.35Å; D306-I310 WeakPolarHBondContact O-CD1 3.19Å; D306-I310 WeakPolarHBondContact O-CG1 3.44Å; D306-I310 PolarHBondContact O-N 2.96Å; D306-I310 VanDerWaalsContact O-N 3.13Å; I307-I310 PolarHBondContact O-N 2.72Å; I307-I310 VanDerWaalsContact O-N 3.13Å; I310-S314 WeakPolarHBondContact O-CB 3.38Å; I310-S314 PolarHBondContact O-N 3.5Å; I310-S314 PolarHBondContact O-OG 3.29Å |
| 311 | E | 90.9 | Very high | 88.9 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -49.2 | 176.3 | -56.7 | -140.8 | 135.5 | 0 | 0 | 111.8 | K289 I307 E308 S314 L315 T344 N345 | K289-E311 WeakPolarHBondContact CE-OE1 3.49Å; K289-E311 IonicContact NZ-OE1 2.9Å; K289-E311 PolarHBondContact NZ-OE1 3.13Å; I307-E311 VanDerWaalsContact O-CG 3.28Å; I307-E311 WeakPolarHBondContact O-CG 3.31Å; I307-E311 PolarHBondContact O-N 3.05Å; E308-E311 PolarHBondContact O-N 3.47Å; E311-S314 WeakPolarHBondContact O-CB 3.24Å; E311-S314 PolarHBondContact O-N 3.01Å; E311-L315 WeakPolarHBondContact O-CG 3.27Å; E311-L315 PolarHBondContact O-N 3.25Å; E311-T344 HydrophobicContact CB-CG2 4.21Å; E311-T344 WeakPolarHBondContact OE2-CA 3.09Å; E311-T344 WeakPolarHBondContact OE2-CB 3.43Å; E311-N345 PolarHBondContact OE2-N 3.13Å |
| 312 | L | 90 | Very high | 89.3 | Confident | 73 Ų | 73 | 41.4 Ų | 41.4 | 38% | 0.382 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.5 | -40.5 | -178.5 | -175.5 | 62.4 | 0 | 0 | 0 | 112 | E308 T309 L315 N316 W352 | E308-L312 WeakPolarHBondContact O-CB 3.48Å; E308-L312 PolarHBondContact O-N 3.05Å; T309-L312 PolarHBondContact O-N 3.34Å; L312-L315 PolarHBondContact O-N 2.98Å; L312-N316 WeakPolarHBondContact O-CB 3.4Å; L312-N316 VanDerWaalsContact O-CG 3.26Å; L312-N316 PolarHBondContact O-N 3.22Å; L312-N316 PolarHBondContact O-ND2 3.47Å; L312-W352 HydrophobicContact CD1-CB 4.24Å; L312-W352 HydrophobicContact CD1-CG 4.16Å |
| 313 | L | 91.1 | Very high | 89.4 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 172.3 | -75.8 | 173.2 | 0 | 0 | 0 | 111.5 | V260 T309 L315 N316 V317 | V260-L313 HydrophobicContact CG1-CD1 3.79Å; T309-L313 HydrophobicContact CG2-CD1 3.91Å; T309-L313 HydrophobicContact CG2-CG 4.37Å; T309-L313 VanDerWaalsContact O-CB 3.27Å; T309-L313 WeakPolarHBondContact O-CB 3.32Å; T309-L313 WeakPolarHBondContact O-CG 3.36Å; T309-L313 PolarHBondContact O-N 2.98Å; L313-L315 PolarHBondContact O-N 3.41Å; L313-N316 PolarHBondContact O-N 3.38Å; L313-V317 WeakPolarHBondContact O-CG2 3.46Å; L313-V317 PolarHBondContact O-N 3.47Å |
| 314 | S | 92.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | K289 I310 E311 V317 I318 | K289-S314 WeakPolarHBondContact CB-OG 3.27Å; K289-S314 WeakPolarHBondContact CG-OG 3.21Å; I310-S314 WeakPolarHBondContact O-CB 3.38Å; I310-S314 PolarHBondContact O-N 3.5Å; I310-S314 PolarHBondContact O-OG 3.29Å; E311-S314 WeakPolarHBondContact O-CB 3.24Å; E311-S314 PolarHBondContact O-N 3.01Å; S314-V317 PolarHBondContact O-N 2.72Å; S314-I318 VanDerWaalsContact O-CG1 3.24Å; S314-I318 WeakPolarHBondContact O-CG1 3.48Å; S314-I318 PolarHBondContact O-N 3.15Å |
| 315 | L | 91.2 | Very high | 89.6 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 173.8 | -69.7 | 172.3 | 0 | 0 | 0 | 111.9 | E311 L312 L313 V317 I318 Y319 L337 L340 T344 V349 W352 | E311-L315 WeakPolarHBondContact O-CG 3.27Å; E311-L315 PolarHBondContact O-N 3.25Å; L312-L315 PolarHBondContact O-N 2.98Å; L313-L315 PolarHBondContact O-N 3.41Å; L315-V317 PolarHBondContact O-N 3.2Å; L315-I318 WeakPolarHBondContact O-CB 3.45Å; L315-I318 PolarHBondContact O-N 2.7Å; L315-Y319 PolarHBondContact O-N 3.26Å; L315-L337 HydrophobicContact CD2-CD1 4.1Å; L315-L340 HydrophobicContact CD2-CB 4.1Å; L315-L340 HydrophobicContact CD2-CD1 4.03Å; L315-T344 HydrophobicContact CD1-CG2 4.41Å; L315-V349 HydrophobicContact CD1-CG2 4.48Å; L315-W352 HydrophobicContact CB-CD2 3.97Å; L315-W352 HydrophobicContact CB-CE3 4.47Å; L315-W352 HydrophobicContact CB-CG 4.44Å; L315-W352 HydrophobicContact CB-CH2 4.3Å; L315-W352 HydrophobicContact CB-CZ2 3.75Å; L315-W352 HydrophobicContact CD1-CD2 4.13Å; L315-W352 HydrophobicContact CD1-CE3 4.27Å; L315-W352 HydrophobicContact CD1-CG 4.31Å; L315-W352 HydrophobicContact CD2-CE3 4.49Å; L315-W352 HydrophobicContact CD2-CH2 4.4Å; L315-W352 HydrophobicContact CD2-CZ3 4.3Å; L315-W352 VanDerWaalsContact O-CZ2 3.24Å; L315-W352 WeakPolarHBondContact O-CZ2 3.47Å |
| 316 | N | 90.7 | Very high | 89.7 | Confident | 56 Ų | 56 | 35.2 Ų | 35.2 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.8 | -36.6 | 176.6 | -76 | -28.8 | 0 | 0 | 0 | 113.3 | L312 L313 Y319 R320 W352 | L312-N316 WeakPolarHBondContact O-CB 3.4Å; L312-N316 VanDerWaalsContact O-CG 3.26Å; L312-N316 PolarHBondContact O-N 3.22Å; L312-N316 PolarHBondContact O-ND2 3.47Å; L313-N316 PolarHBondContact O-N 3.38Å; N316-Y319 PolarHBondContact O-N 3.13Å; N316-R320 WeakPolarHBondContact O-CG 3.28Å; N316-R320 PolarHBondContact O-N 3.13Å; N316-R320 VanDerWaalsContact O-N 3.08Å; N316-W352 PolarHBondContact OD1-NE1 2.89Å |
| 317 | V | 91 | Very high | 89.6 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 173.3 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | L226 L263 L266 I285 L313 S314 L315 Y319 R320 F321 | L226-V317 HydrophobicContact CD1-CG1 4.14Å; L263-V317 HydrophobicContact CD2-CG2 4.34Å; L266-V317 HydrophobicContact CD1-CG1 4.38Å; L266-V317 HydrophobicContact CD1-CG2 4.11Å; I285-V317 HydrophobicContact CD1-CG1 4.31Å; L313-V317 WeakPolarHBondContact O-CG2 3.46Å; L313-V317 PolarHBondContact O-N 3.47Å; S314-V317 PolarHBondContact O-N 2.72Å; L315-V317 PolarHBondContact O-N 3.2Å; V317-Y319 VanDerWaalsContact C-N 3.32Å; V317-Y319 PolarHBondContact O-N 2.9Å; V317-R320 PolarHBondContact O-N 3.49Å; V317-F321 HydrophobicContact CG1-CD2 3.73Å; V317-F321 HydrophobicContact CG1-CE2 3.74Å; V317-F321 WeakPolarHBondContact O-CB 3.41Å; V317-F321 VanDerWaalsContact O-CD2 3.31Å; V317-F321 WeakPolarHBondContact O-CD2 3.07Å; V317-F321 PolarHBondContact O-N 2.95Å |
| 318 | I | 90 | Very high | 89.4 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.6 | -48 | 173.9 | -67.6 | -117.9 | 0 | 0 | 0 | 111.1 | I285 S314 L315 R320 F321 F322 T333 E336 L337 L340 | I285-I318 HydrophobicContact CB-CD1 4.1Å; I285-I318 HydrophobicContact CB-CG1 4.32Å; I285-I318 HydrophobicContact CD1-CD1 4.02Å; I285-I318 HydrophobicContact CD1-CG1 3.95Å; I285-I318 HydrophobicContact CG2-CD1 4.11Å; I285-I318 HydrophobicContact CG2-CG1 3.83Å; S314-I318 VanDerWaalsContact O-CG1 3.24Å; S314-I318 WeakPolarHBondContact O-CG1 3.48Å; S314-I318 PolarHBondContact O-N 3.15Å; L315-I318 WeakPolarHBondContact O-CB 3.45Å; L315-I318 PolarHBondContact O-N 2.7Å; I318-R320 PolarHBondContact O-N 2.97Å; I318-F321 WeakPolarHBondContact O-CB 3.49Å; I318-F321 PolarHBondContact O-N 3.47Å; I318-F322 PolarHBondContact O-N 3.04Å; I318-T333 HydrophobicContact CB-CG2 4.46Å; I318-T333 HydrophobicContact CG2-CG2 3.75Å; I318-T333 WeakPolarHBondContact O-CG2 3.35Å; I318-E336 HydrophobicContact CD1-CB 3.49Å; I318-E336 VanDerWaalsContact CD1-CB 3.49Å; I318-L337 HydrophobicContact CG2-CB 3.81Å; I318-L337 HydrophobicContact CG2-CD1 3.99Å; I318-L337 HydrophobicContact CG2-CG 4.34Å; I318-L340 HydrophobicContact CD1-CD1 3.56Å; I318-L340 HydrophobicContact CD1-CG 4.16Å; I318-L340 HydrophobicContact CG1-CD1 3.66Å |
| 319 | Y | 90.8 | Very high | 89.3 | Confident | 61 Ų | 61 | 37 Ų | 37 | 24% | 0.239 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 177.6 | 154.9 | -105.7 | 0 | 0 | 0 | 113.3 | L315 N316 V317 F322 Q323 I356 L361 | L315-Y319 PolarHBondContact O-N 3.26Å; N316-Y319 PolarHBondContact O-N 3.13Å; V317-Y319 VanDerWaalsContact C-N 3.32Å; V317-Y319 PolarHBondContact O-N 2.9Å; Y319-F322 WeakPolarHBondContact O-CB 3.46Å; Y319-F322 PolarHBondContact O-N 3.34Å; Y319-Q323 HydrophobicContact CD2-CG 4.41Å; Y319-Q323 HydrophobicContact CE2-CG 4.12Å; Y319-Q323 PolarHBondContact O-N 3.09Å; Y319-Q323 PolarHBondContact OH-NE2 3.31Å; Y319-I356 HydrophobicContact CD1-CD1 3.78Å; Y319-I356 HydrophobicContact CD2-CD1 3.95Å; Y319-I356 HydrophobicContact CD2-CG2 3.59Å; Y319-I356 HydrophobicContact CE1-CD1 4.09Å; Y319-I356 HydrophobicContact CE2-CD1 4.23Å; Y319-I356 HydrophobicContact CE2-CG2 3.39Å; Y319-I356 HydrophobicContact CG-CD1 3.7Å; Y319-I356 HydrophobicContact CG-CG2 4.4Å; Y319-L361 HydrophobicContact CD2-CD2 3.7Å; Y319-L361 HydrophobicContact CE2-CD2 3.67Å |
| 320 | R | 90.8 | Very high | 89.3 | Confident | 56 Ų | 56 | 34.9 Ų | 34.9 | 21% | 0.211 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.1 | -36.2 | 177.6 | -69.3 | 176.4 | 66.9 | -158.4 | 0 | 112.3 | L266 D268 I271 N316 V317 I318 F322 Q323 L324 | L266-R320 PolarHBondContact O-NH1 2.89Å; L266-R320 PolarHBondContact O-NH2 2.81Å; D268-R320 IonicContact OD1-CZ 2.86Å; D268-R320 IonicContact OD1-NE 2.64Å; D268-R320 IonicContact OD1-NH2 2.71Å; D268-R320 PolarHBondContact OD1-NH2 3.02Å; I271-R320 HydrophobicContact CD1-CB 3.73Å; N316-R320 WeakPolarHBondContact O-CG 3.28Å; N316-R320 PolarHBondContact O-N 3.13Å; N316-R320 VanDerWaalsContact O-N 3.08Å; V317-R320 PolarHBondContact O-N 3.49Å; I318-R320 PolarHBondContact O-N 2.97Å; R320-F322 VanDerWaalsContact C-N 3.32Å; R320-F322 PolarHBondContact O-N 3.35Å; R320-Q323 PolarHBondContact O-N 2.84Å; R320-L324 WeakPolarHBondContact O-CG 3.22Å; R320-L324 PolarHBondContact O-N 3.44Å; R320-L324 VanDerWaalsContact O-N 3.09Å |
| 321 | F | 89.2 | Confident | 89 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 170.2 | -93 | -110.6 | 0 | 0 | 0 | 111.6 | L226 I271 E274 R280 F284 I285 V317 I318 L324 S325 T333 | L226-F321 HydrophobicContact CD1-CE2 3.81Å; L226-F321 HydrophobicContact CD1-CZ 3.8Å; I271-F321 HydrophobicContact CB-CE2 4.28Å; I271-F321 HydrophobicContact CD1-CD2 4.39Å; I271-F321 HydrophobicContact CD1-CE2 4.42Å; I271-F321 HydrophobicContact CG1-CD2 4.28Å; I271-F321 HydrophobicContact CG1-CE2 3.9Å; I271-F321 HydrophobicContact CG2-CD1 4.45Å; I271-F321 HydrophobicContact CG2-CD2 3.63Å; I271-F321 HydrophobicContact CG2-CE2 3.74Å; I271-F321 HydrophobicContact CG2-CG 4.01Å; I271-F321 HydrophobicContact CG2-CZ 4.19Å; E274-F321 HydrophobicContact CB-CE1 3.77Å; E274-F321 HydrophobicContact CB-CZ 3.64Å; E274-F321 HydrophobicContact CG-CZ 4.2Å; R280-F321 VanDerWaalsContact NH2-CD1 3.34Å; F284-F321 AromaticContact CZ-CE1 3.91Å; F284-F321 HydrophobicContact CZ-CE1 3.91Å; F284-F321 HydrophobicContact CZ-CZ 4.28Å; I285-F321 HydrophobicContact CD1-CD1 4.5Å; I285-F321 HydrophobicContact CD1-CG 4.38Å; V317-F321 HydrophobicContact CG1-CD2 3.73Å; V317-F321 HydrophobicContact CG1-CE2 3.74Å; V317-F321 WeakPolarHBondContact O-CB 3.41Å; V317-F321 VanDerWaalsContact O-CD2 3.31Å; V317-F321 WeakPolarHBondContact O-CD2 3.07Å; V317-F321 PolarHBondContact O-N 2.95Å; I318-F321 WeakPolarHBondContact O-CB 3.49Å; I318-F321 PolarHBondContact O-N 3.47Å; F321-L324 PolarHBondContact O-N 2.64Å; F321-S325 WeakPolarHBondContact O-CB 3.43Å; F321-S325 PolarHBondContact O-N 2.64Å; F321-S325 VanDerWaalsContact O-N 3.13Å; F321-S325 PolarHBondContact O-OG 2.72Å; F321-T333 HydrophobicContact CB-CG2 4.02Å |
| 322 | F | 90.3 | Very high | 88.8 | Confident | 13 Ų | 13 | 36 Ų | 36 | 6% | 0.057 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.6 | 176.4 | -87.6 | 0 | 0 | 0 | 111.9 | I318 Y319 R320 K330 T333 L334 L361 L362 Y372 | I318-F322 PolarHBondContact O-N 3.04Å; Y319-F322 WeakPolarHBondContact O-CB 3.46Å; Y319-F322 PolarHBondContact O-N 3.34Å; R320-F322 VanDerWaalsContact C-N 3.32Å; R320-F322 PolarHBondContact O-N 3.35Å; F322-K330 HydrophobicContact CD2-CB 4.05Å; F322-K330 HydrophobicContact CD2-CG 4.17Å; F322-K330 HydrophobicContact CE2-CB 3.98Å; F322-K330 HydrophobicContact CE2-CD 4.18Å; F322-K330 HydrophobicContact CE2-CG 4.21Å; F322-K330 HydrophobicContact CZ-CD 4.18Å; F322-K330 VanDerWaalsContact O-CE 3.22Å; F322-K330 WeakPolarHBondContact O-CE 3.38Å; F322-K330 WeakPolarHBondContact O-CG 3.12Å; F322-T333 HydrophobicContact CB-CG2 3.88Å; F322-L334 HydrophobicContact CD2-CD2 3.97Å; F322-L334 HydrophobicContact CD2-CG 4.15Å; F322-L334 HydrophobicContact CE2-CD1 4.26Å; F322-L334 HydrophobicContact CE2-CD2 3.74Å; F322-L334 HydrophobicContact CE2-CG 3.93Å; F322-L361 HydrophobicContact CD1-CD2 3.76Å; F322-L361 HydrophobicContact CD1-CG 4.27Å; F322-L361 HydrophobicContact CE1-CD2 3.88Å; F322-L361 HydrophobicContact CE1-CG 3.91Å; F322-L362 HydrophobicContact CE1-CD2 4.49Å; F322-L362 HydrophobicContact CE2-CD2 4.05Å; F322-L362 HydrophobicContact CZ-CD2 3.89Å; F322-Y372 HydrophobicContact CE2-CE2 4.18Å; F322-Y372 HydrophobicContact CZ-CE2 4.36Å; F322-Y372 WeakPolarHBondContact CZ-OH 3.43Å |
| 323 | Q | 89.5 | Confident | 88.8 | Confident | 83 Ų | 83 | 32.6 Ų | 32.6 | 39% | 0.388 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.6 | -36.3 | 178.9 | -72.7 | -173.9 | -28.9 | 0 | 0 | 113.6 | Y319 R320 L361 | Y319-Q323 HydrophobicContact CD2-CG 4.41Å; Y319-Q323 HydrophobicContact CE2-CG 4.12Å; Y319-Q323 PolarHBondContact O-N 3.09Å; Y319-Q323 PolarHBondContact OH-NE2 3.31Å; R320-Q323 PolarHBondContact O-N 2.84Å; Q323-L361 HydrophobicContact CG-CD1 4.31Å; Q323-L361 HydrophobicContact CG-CD2 4.35Å |
| 324 | L | 87.1 | Confident | 88.7 | Confident | 47 Ų | 47 | 31.3 Ų | 31.3 | 25% | 0.246 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -99.4 | 0.9 | -171.8 | -60.8 | 174.9 | 0 | 0 | 0 | 114.7 | D268 I271 K272 R320 F321 | D268-L324 HydrophobicContact CB-CD1 3.75Å; I271-L324 HydrophobicContact CB-CD1 3.94Å; I271-L324 HydrophobicContact CD1-CD1 4.41Å; I271-L324 HydrophobicContact CG2-CB 4.19Å; I271-L324 HydrophobicContact CG2-CD1 3.81Å; K272-L324 HydrophobicContact CG-CB 4.48Å; R320-L324 WeakPolarHBondContact O-CG 3.22Å; R320-L324 PolarHBondContact O-N 3.44Å; R320-L324 VanDerWaalsContact O-N 3.09Å; F321-L324 PolarHBondContact O-N 2.64Å |
| 325 | S | 86.8 | Confident | 88.6 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -88 | 153.6 | -178.7 | -73 | 0 | 0 | 0 | 0 | 114.4 | T275 F321 G329 K330 | T275-S325 WeakPolarHBondContact CG2-OG 3.45Å; F321-S325 WeakPolarHBondContact O-CB 3.43Å; F321-S325 PolarHBondContact O-N 2.64Å; F321-S325 VanDerWaalsContact O-N 3.13Å; F321-S325 PolarHBondContact O-OG 2.72Å; S325-G329 VanDerWaalsContact CB-C 3.48Å; S325-K330 WeakPolarHBondContact O-CE 3.35Å |
| 326 | S | 87.3 | Confident | 88.6 | Confident | 76 Ų | 76 | 32.5 Ų | 32.5 | 53% | 0.531 | 17% | 0.167 | S | C | . | . | trans | -61.2 | 169.5 | 158.6 | 66.8 | 0 | 0 | 0 | 0 | 111 | N328 G329 K330 | S326-N328 VanDerWaalsContact C-N 3.31Å; S326-N328 PolarHBondContact O-N 2.83Å; S326-G329 CarbonylContact O-C 3.58Å; S326-G329 PolarHBondContact O-N 3.03Å; S326-G329 VanDerWaalsContact O-N 3.08Å; S326-G329 PolarHBondContact OG-N 3.23Å; S326-K330 WeakPolarHBondContact O-CG 3.48Å; S326-K330 PolarHBondContact O-N 3.47Å | ||
| 327 | F | 86.4 | Confident | 88.6 | Confident | 56 Ų | 56 | 30.2 Ų | 30.2 | 25% | 0.246 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53.1 | -45.6 | 179.4 | 175.6 | -97 | 0 | 0 | 0 | 113.2 | G329 K330 M331 N366 Q369 Y372 | F327-G329 PolarHBondContact O-N 2.9Å; F327-K330 WeakPolarHBondContact O-CB 3.33Å; F327-K330 PolarHBondContact O-N 2.96Å; F327-M331 HydrophobicContact CE1-CE 4.11Å; F327-M331 HydrophobicContact CE2-CE 4.47Å; F327-M331 HydrophobicContact CZ-CE 3.59Å; F327-M331 PolarHBondContact O-N 3.2Å; F327-N366 HydrophobicContact CD2-CB 4.14Å; F327-N366 HydrophobicContact CE2-CB 3.98Å; F327-Q369 HydrophobicContact CE2-CB 4.5Å; F327-Q369 HydrophobicContact CE2-CG 4.49Å; F327-Q369 HydrophobicContact CZ-CB 4.26Å; F327-Q369 HydrophobicContact CZ-CG 4.47Å; F327-Y372 AromaticContact CE2-CD2 3.92Å; F327-Y372 HydrophobicContact CE2-CD2 3.92Å; F327-Y372 HydrophobicContact CE2-CG 4.2Å |
| 328 | N | 84.3 | Confident | 88.7 | Confident | 104 Ų | 104 | 31.1 Ų | 31.1 | 56% | 0.556 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -63.9 | -42.7 | 178 | -163.2 | 68.4 | 0 | 0 | 0 | 111.5 | S326 K330 M331 N332 | S326-N328 VanDerWaalsContact C-N 3.31Å; S326-N328 PolarHBondContact O-N 2.83Å; N328-K330 VanDerWaalsContact C-N 3.33Å; N328-K330 PolarHBondContact O-N 3.08Å; N328-M331 WeakPolarHBondContact O-CB 3.46Å; N328-M331 PolarHBondContact O-N 3.41Å; N328-M331 VanDerWaalsContact O-N 3.13Å; N328-N332 PolarHBondContact O-N 2.85Å; N328-N332 PolarHBondContact O-OD1 3.45Å |
| 329 | G | 84.8 | Confident | 88.6 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -37.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | S325 S326 F327 M331 N332 T333 | S325-G329 VanDerWaalsContact CB-C 3.48Å; S326-G329 CarbonylContact O-C 3.58Å; S326-G329 PolarHBondContact O-N 3.03Å; S326-G329 VanDerWaalsContact O-N 3.08Å; S326-G329 PolarHBondContact OG-N 3.23Å; F327-G329 PolarHBondContact O-N 2.9Å; G329-M331 VanDerWaalsContact C-N 3.34Å; G329-M331 PolarHBondContact O-N 3.44Å; G329-N332 PolarHBondContact O-N 3.2Å; G329-T333 WeakPolarHBondContact O-CB 3.24Å; G329-T333 PolarHBondContact O-N 3.03Å; G329-T333 PolarHBondContact O-OG1 3.46Å; G329-T333 VanDerWaalsContact O-OG1 3.05Å |
| 330 | K | 88.5 | Confident | 88.5 | Confident | 21 Ų | 21 | 31.9 Ų | 31.9 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 172.2 | -69.5 | -169.8 | -176.7 | -167.5 | 0 | 110.8 | F322 S325 S326 F327 N328 T333 L334 E365 | F322-K330 HydrophobicContact CD2-CB 4.05Å; F322-K330 HydrophobicContact CD2-CG 4.17Å; F322-K330 HydrophobicContact CE2-CB 3.98Å; F322-K330 HydrophobicContact CE2-CD 4.18Å; F322-K330 HydrophobicContact CE2-CG 4.21Å; F322-K330 HydrophobicContact CZ-CD 4.18Å; F322-K330 VanDerWaalsContact O-CE 3.22Å; F322-K330 WeakPolarHBondContact O-CE 3.38Å; F322-K330 WeakPolarHBondContact O-CG 3.12Å; S325-K330 WeakPolarHBondContact O-CE 3.35Å; S326-K330 WeakPolarHBondContact O-CG 3.48Å; S326-K330 PolarHBondContact O-N 3.47Å; F327-K330 WeakPolarHBondContact O-CB 3.33Å; F327-K330 PolarHBondContact O-N 2.96Å; N328-K330 VanDerWaalsContact C-N 3.33Å; N328-K330 PolarHBondContact O-N 3.08Å; K330-T333 PolarHBondContact O-N 3.45Å; K330-L334 WeakPolarHBondContact O-CG 3.34Å; K330-L334 PolarHBondContact O-N 3.03Å; K330-E365 IonicContact NZ-OE2 3.28Å; K330-E365 PolarHBondContact NZ-OE2 3.43Å |
| 331 | M | 86.7 | Confident | 88.4 | Confident | 22 Ų | 22 | 29.3 Ų | 29.3 | 11% | 0.108 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.9 | -51 | 177 | -172.5 | 63.5 | 73.8 | 0 | 0 | 112.3 | F327 N328 G329 T333 L334 N335 Q371 K375 | F327-M331 HydrophobicContact CE1-CE 4.11Å; F327-M331 HydrophobicContact CE2-CE 4.47Å; F327-M331 HydrophobicContact CZ-CE 3.59Å; F327-M331 PolarHBondContact O-N 3.2Å; N328-M331 WeakPolarHBondContact O-CB 3.46Å; N328-M331 PolarHBondContact O-N 3.41Å; N328-M331 VanDerWaalsContact O-N 3.13Å; G329-M331 VanDerWaalsContact C-N 3.34Å; G329-M331 PolarHBondContact O-N 3.44Å; M331-T333 VanDerWaalsContact C-N 3.31Å; M331-T333 PolarHBondContact O-N 2.95Å; M331-L334 PolarHBondContact O-N 2.89Å; M331-N335 PolarHBondContact O-N 3.48Å; M331-N335 PolarHBondContact O-ND2 2.94Å; M331-Q371 HydrophobicContact CE-CB 3.92Å; M331-K375 HydrophobicContact SD-CG 3.93Å |
| 332 | N | 85.5 | Confident | 88.2 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 178.7 | -65.2 | 47.7 | 0 | 0 | 0 | 111.1 | D282 N328 G329 L334 N335 E336 | D282-N332 PolarHBondContact OD1-ND2 2.9Å; N328-N332 PolarHBondContact O-N 2.85Å; N328-N332 PolarHBondContact O-OD1 3.45Å; G329-N332 PolarHBondContact O-N 3.2Å; N332-L334 VanDerWaalsContact C-N 3.35Å; N332-L334 PolarHBondContact O-N 3.21Å; N332-N335 WeakPolarHBondContact O-CB 3.32Å; N332-N335 PolarHBondContact O-N 3.18Å; N332-N335 VanDerWaalsContact O-N 3.15Å; N332-E336 PolarHBondContact O-N 3.15Å |
| 333 | T | 89.4 | Confident | 87.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.2 | -27.6 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | I318 F321 F322 G329 K330 M331 L337 | I318-T333 HydrophobicContact CB-CG2 4.46Å; I318-T333 HydrophobicContact CG2-CG2 3.75Å; I318-T333 WeakPolarHBondContact O-CG2 3.35Å; F321-T333 HydrophobicContact CB-CG2 4.02Å; F322-T333 HydrophobicContact CB-CG2 3.88Å; G329-T333 WeakPolarHBondContact O-CB 3.24Å; G329-T333 PolarHBondContact O-N 3.03Å; G329-T333 PolarHBondContact O-OG1 3.46Å; G329-T333 VanDerWaalsContact O-OG1 3.05Å; K330-T333 PolarHBondContact O-N 3.45Å; M331-T333 VanDerWaalsContact C-N 3.31Å; M331-T333 PolarHBondContact O-N 2.95Å; T333-L337 WeakPolarHBondContact O-CB 3.46Å; T333-L337 PolarHBondContact O-N 2.93Å |
| 334 | L | 90.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.8 | -42.4 | 167.1 | -70.1 | 176.6 | 0 | 0 | 0 | 111.6 | F322 K330 M331 N332 E336 L337 I338 L362 Y372 K375 I379 | F322-L334 HydrophobicContact CD2-CD2 3.97Å; F322-L334 HydrophobicContact CD2-CG 4.15Å; F322-L334 HydrophobicContact CE2-CD1 4.26Å; F322-L334 HydrophobicContact CE2-CD2 3.74Å; F322-L334 HydrophobicContact CE2-CG 3.93Å; K330-L334 WeakPolarHBondContact O-CG 3.34Å; K330-L334 PolarHBondContact O-N 3.03Å; M331-L334 PolarHBondContact O-N 2.89Å; N332-L334 VanDerWaalsContact C-N 3.35Å; N332-L334 PolarHBondContact O-N 3.21Å; L334-E336 PolarHBondContact O-N 3.32Å; L334-L337 PolarHBondContact O-N 3.44Å; L334-I338 WeakPolarHBondContact O-CB 3.35Å; L334-I338 WeakPolarHBondContact O-CD1 3.31Å; L334-I338 VanDerWaalsContact O-CG1 3.24Å; L334-I338 WeakPolarHBondContact O-CG1 3.16Å; L334-I338 PolarHBondContact O-N 3.25Å; L334-L362 HydrophobicContact CD2-CD2 3.47Å; L334-L362 VanDerWaalsContact CD2-CD2 3.47Å; L334-Y372 HydrophobicContact CD1-CD2 3.76Å; L334-Y372 HydrophobicContact CD1-CE2 3.65Å; L334-K375 HydrophobicContact CB-CB 4.32Å; L334-K375 HydrophobicContact CD1-CB 4.06Å; L334-I379 HydrophobicContact CD2-CD1 3.69Å |
| 335 | N | 90 | Very high | 86.9 | Confident | 31 Ų | 31 | 34.7 Ų | 34.7 | 17% | 0.166 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 175.1 | -76.9 | -40.8 | 0 | 0 | 0 | 112 | M331 N332 R339 K375 | M331-N335 PolarHBondContact O-N 3.48Å; M331-N335 PolarHBondContact O-ND2 2.94Å; N332-N335 WeakPolarHBondContact O-CB 3.32Å; N332-N335 PolarHBondContact O-N 3.18Å; N332-N335 VanDerWaalsContact O-N 3.15Å; N335-R339 PolarHBondContact O-N 2.9Å; N335-R339 PolarHBondContact O-NH1 3.23Å; N335-K375 VanDerWaalsContact OD1-CD 3.31Å; N335-K375 WeakPolarHBondContact OD1-CD 3.24Å; N335-K375 WeakPolarHBondContact OD1-CE 3.45Å; N335-K375 PolarHBondContact OD1-NZ 3.43Å |
| 336 | E | 90 | Very high | 86.4 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 172.1 | -74.2 | -174.1 | -84.4 | 0 | 0 | 112.1 | D282 I285 I318 N332 L334 I338 R339 L340 | D282-E336 WeakPolarHBondContact O-CG 3.5Å; I285-E336 VanDerWaalsContact CB-OE2 3.31Å; I285-E336 WeakPolarHBondContact CB-OE2 3.45Å; I285-E336 WeakPolarHBondContact CG1-OE2 3.36Å; I285-E336 PolarHBondContact N-OE2 3.16Å; I318-E336 HydrophobicContact CD1-CB 3.49Å; I318-E336 VanDerWaalsContact CD1-CB 3.49Å; N332-E336 PolarHBondContact O-N 3.15Å; L334-E336 PolarHBondContact O-N 3.32Å; E336-I338 PolarHBondContact O-N 2.71Å; E336-R339 CarbonylContact O-C 3.35Å; E336-R339 PolarHBondContact O-N 2.95Å; E336-R339 VanDerWaalsContact O-N 3.11Å; E336-L340 PolarHBondContact O-N 2.87Å |
| 337 | L | 92.3 | Very high | 86.1 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 177.2 | -178.5 | 57.8 | 0 | 0 | 0 | 112 | L315 I318 T333 L334 R339 L340 L341 W352 L358 I379 | L315-L337 HydrophobicContact CD2-CD1 4.1Å; I318-L337 HydrophobicContact CG2-CB 3.81Å; I318-L337 HydrophobicContact CG2-CD1 3.99Å; I318-L337 HydrophobicContact CG2-CG 4.34Å; T333-L337 WeakPolarHBondContact O-CB 3.46Å; T333-L337 PolarHBondContact O-N 2.93Å; L334-L337 PolarHBondContact O-N 3.44Å; L337-R339 PolarHBondContact O-N 3.11Å; L337-L340 PolarHBondContact O-N 2.81Å; L337-L340 VanDerWaalsContact O-N 3.15Å; L337-L341 HydrophobicContact CD1-CD1 4.12Å; L337-L341 HydrophobicContact CD1-CD2 4.15Å; L337-L341 HydrophobicContact CD1-CG 3.86Å; L337-L341 HydrophobicContact CG-CD1 3.93Å; L337-L341 HydrophobicContact CG-CG 4.18Å; L337-L341 VanDerWaalsContact O-CG 3.27Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.44Å; L337-W352 HydrophobicContact CD1-CH2 3.83Å; L337-W352 HydrophobicContact CD1-CZ3 3.97Å; L337-L358 HydrophobicContact CD2-CD1 4.29Å; L337-L358 HydrophobicContact CD2-CD2 4.25Å; L337-I379 HydrophobicContact CD2-CD1 3.99Å |
| 338 | I | 91.8 | Very high | 85.8 | Confident | 25 Ų | 25 | 40.7 Ų | 40.7 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -32 | 176.1 | -72.1 | 159.8 | 0 | 0 | 0 | 111.6 | L334 E336 P342 K375 E378 I379 | L334-I338 WeakPolarHBondContact O-CB 3.35Å; L334-I338 WeakPolarHBondContact O-CD1 3.31Å; L334-I338 VanDerWaalsContact O-CG1 3.24Å; L334-I338 WeakPolarHBondContact O-CG1 3.16Å; L334-I338 PolarHBondContact O-N 3.25Å; E336-I338 PolarHBondContact O-N 2.71Å; I338-P342 WeakPolarHBondContact O-CD 3.27Å; I338-K375 HydrophobicContact CD1-CB 4.15Å; I338-K375 HydrophobicContact CD1-CD 3.48Å; I338-K375 VanDerWaalsContact CD1-CD 3.48Å; I338-K375 HydrophobicContact CD1-CG 4.44Å; I338-E378 HydrophobicContact CD1-CB 4.09Å; I338-E378 HydrophobicContact CD1-CG 4.18Å; I338-E378 HydrophobicContact CG1-CG 4.36Å; I338-E378 HydrophobicContact CG2-CG 3.98Å; I338-I379 HydrophobicContact CD1-CD1 4.46Å; I338-I379 HydrophobicContact CD1-CG1 4.18Å; I338-I379 HydrophobicContact CG1-CD1 4.17Å; I338-I379 HydrophobicContact CG1-CG1 3.64Å |
| 339 | R | 88.9 | Confident | 85.9 | Confident | 77 Ų | 77 | 35.8 Ų | 35.8 | 29% | 0.291 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -82.2 | -27.7 | 174.4 | -70.5 | -174.6 | -67.2 | -94.9 | 6.4 | 113.7 | D282 D283 N335 E336 L337 N343 | D282-R339 PolarHBondContact O-NH2 2.75Å; D283-R339 WeakPolarHBondContact OD1-CD 3.46Å; D283-R339 IonicContact OD1-CZ 2.86Å; D283-R339 VanDerWaalsContact OD1-CZ 3.25Å; D283-R339 IonicContact OD1-NE 2.68Å; D283-R339 PolarHBondContact OD1-NE 2.77Å; D283-R339 IonicContact OD1-NH2 2.68Å; D283-R339 PolarHBondContact OD1-NH2 2.85Å; N335-R339 PolarHBondContact O-N 2.9Å; N335-R339 PolarHBondContact O-NH1 3.23Å; E336-R339 CarbonylContact O-C 3.35Å; E336-R339 PolarHBondContact O-N 2.95Å; E336-R339 VanDerWaalsContact O-N 3.11Å; L337-R339 PolarHBondContact O-N 3.11Å; R339-N343 PolarHBondContact O-ND2 2.72Å |
| 340 | L | 87.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.2 | -49.5 | 173.4 | -76.6 | -166.7 | 0 | 0 | 0 | 112.8 | T286 K289 L315 I318 E336 L337 N343 T344 | T286-L340 HydrophobicContact CG2-CD2 4.19Å; K289-L340 HydrophobicContact CD-CD2 3.82Å; L315-L340 HydrophobicContact CD2-CB 4.1Å; L315-L340 HydrophobicContact CD2-CD1 4.03Å; I318-L340 HydrophobicContact CD1-CD1 3.56Å; I318-L340 HydrophobicContact CD1-CG 4.16Å; I318-L340 HydrophobicContact CG1-CD1 3.66Å; E336-L340 PolarHBondContact O-N 2.87Å; L337-L340 PolarHBondContact O-N 2.81Å; L337-L340 VanDerWaalsContact O-N 3.15Å; L340-N343 CarbonylContact O-C 3.59Å; L340-N343 WeakPolarHBondContact O-CA 3.22Å; L340-N343 PolarHBondContact O-N 3.34Å; L340-T344 PolarHBondContact O-N 3.49Å; L340-T344 PolarHBondContact O-OG1 3.1Å; L340-T344 VanDerWaalsContact O-OG1 3.1Å |
| 341 | L | 88.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -51 | -42.4 | -169 | -74.1 | 169.2 | 0 | 0 | 0 | 115.1 | L337 N343 T344 V349 W352 I353 I379 F382 | L337-L341 HydrophobicContact CD1-CD1 4.12Å; L337-L341 HydrophobicContact CD1-CD2 4.15Å; L337-L341 HydrophobicContact CD1-CG 3.86Å; L337-L341 HydrophobicContact CG-CD1 3.93Å; L337-L341 HydrophobicContact CG-CG 4.18Å; L337-L341 VanDerWaalsContact O-CG 3.27Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.44Å; L341-N343 VanDerWaalsContact C-N 3.32Å; L341-N343 PolarHBondContact O-N 2.81Å; L341-T344 PolarHBondContact O-OG1 2.76Å; L341-T344 VanDerWaalsContact O-OG1 3.13Å; L341-V349 HydrophobicContact CD2-CG1 3.45Å; L341-V349 VanDerWaalsContact CD2-CG1 3.45Å; L341-W352 HydrophobicContact CD2-CZ3 4.45Å; L341-I353 HydrophobicContact CD2-CD1 4.16Å; L341-I379 HydrophobicContact CD1-CG1 4.43Å; L341-I379 HydrophobicContact CD1-CG2 4.26Å; L341-F382 HydrophobicContact CB-CD1 4.21Å; L341-F382 HydrophobicContact CB-CD2 4.19Å; L341-F382 HydrophobicContact CB-CE1 3.96Å; L341-F382 HydrophobicContact CB-CE2 3.92Å; L341-F382 HydrophobicContact CB-CG 4.32Å; L341-F382 HydrophobicContact CB-CZ 3.81Å; L341-F382 HydrophobicContact CD1-CD1 4.2Å; L341-F382 HydrophobicContact CD2-CE1 4.13Å; L341-F382 HydrophobicContact CG-CE1 4.44Å; L341-F382 VanDerWaalsContact O-CZ 3.28Å; L341-F382 WeakPolarHBondContact O-CZ 3.43Å |
| 342 | P | 85.1 | Confident | 85.9 | Confident | 75 Ų | 75 | 38.2 Ų | 38.2 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -70.9 | -25.2 | 176.1 | -18.7 | 33.3 | 0 | 0 | 0 | 114.1 | I338 F382 | I338-P342 WeakPolarHBondContact O-CD 3.27Å; P342-F382 HydrophobicContact CG-CD2 4.48Å; P342-F382 HydrophobicContact CG-CE2 4.37Å |
| 343 | N | 80.8 | Confident | 86.1 | Confident | 107 Ų | 107 | 37.4 Ų | 37.4 | 57% | 0.572 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -99.5 | 13.3 | -171.6 | -68.2 | -54.7 | 0 | 0 | 0 | 113 | K289 R339 L340 L341 | K289-N343 PolarHBondContact NZ-O 2.75Å; R339-N343 PolarHBondContact O-ND2 2.72Å; L340-N343 CarbonylContact O-C 3.59Å; L340-N343 WeakPolarHBondContact O-CA 3.22Å; L340-N343 PolarHBondContact O-N 3.34Å; L341-N343 VanDerWaalsContact C-N 3.32Å; L341-N343 PolarHBondContact O-N 2.81Å |
| 344 | T | 82.2 | Confident | 86 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -123.3 | 151.3 | -178.7 | 39.3 | 0 | 0 | 0 | 0 | 111.8 | K289 E311 L315 L340 L341 S346 V349 | K289-T344 HydrophobicContact CD-CG2 4.48Å; K289-T344 VanDerWaalsContact NZ-CG2 3.3Å; E311-T344 HydrophobicContact CB-CG2 4.21Å; E311-T344 WeakPolarHBondContact OE2-CA 3.09Å; E311-T344 WeakPolarHBondContact OE2-CB 3.43Å; L315-T344 HydrophobicContact CD1-CG2 4.41Å; L340-T344 PolarHBondContact O-N 3.49Å; L340-T344 PolarHBondContact O-OG1 3.1Å; L340-T344 VanDerWaalsContact O-OG1 3.1Å; L341-T344 PolarHBondContact O-OG1 2.76Å; L341-T344 VanDerWaalsContact O-OG1 3.13Å; T344-S346 PolarHBondContact O-N 2.96Å; T344-V349 WeakPolarHBondContact OG1-CG2 3.18Å |
| 345 | N | 77.4 | Confident | 85.9 | Confident | 66 Ų | 66 | 47.8 Ų | 47.8 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | trans | -53 | 108.8 | -178.3 | -88.3 | 1.5 | 0 | 0 | 0 | 111 | E308 E311 L347 R348 V349 | E308-N345 PolarHBondContact OE1-ND2 2.63Å; E311-N345 PolarHBondContact OE2-N 3.13Å; N345-L347 PolarHBondContact O-N 2.78Å; N345-R348 HydrophobicContact CB-CB 4.42Å; N345-R348 HydrophobicContact CB-CG 4.26Å; N345-R348 PolarHBondContact O-N 2.92Å; N345-V349 WeakPolarHBondContact O-CG2 3.45Å; N345-V349 PolarHBondContact O-N 3.31Å | ||
| 346 | S | 76.6 | Confident | 85.9 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.4 | -25.1 | -164 | -66.7 | 0 | 0 | 0 | 0 | 114.4 | T344 G350 K386 | T344-S346 PolarHBondContact O-N 2.96Å; S346-G350 PolarHBondContact O-N 3.17Å; S346-G350 VanDerWaalsContact O-N 3.15Å; S346-K386 PolarHBondContact OG-NZ 2.81Å |
| 347 | L | 80.7 | Confident | 85.9 | Confident | 123 Ų | 123 | 54.7 Ų | 54.7 | 64% | 0.644 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -69.7 | -43.7 | 173.6 | -174.7 | 150.1 | 0 | 0 | 0 | 111.7 | N345 G350 Q351 | N345-L347 PolarHBondContact O-N 2.78Å; L347-G350 PolarHBondContact O-N 3.25Å; L347-Q351 PolarHBondContact O-N 3Å; L347-Q351 VanDerWaalsContact O-N 3.16Å |
| 348 | R | 79.8 | Confident | 85.9 | Confident | 93 Ų | 93 | 54.6 Ų | 54.6 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 175.6 | -62.1 | -53.2 | -168.4 | 169.5 | 10.4 | 112.1 | E308 N345 G350 Q351 W352 | E308-R348 VanDerWaalsContact OE1-CG 3.22Å; E308-R348 WeakPolarHBondContact OE1-CG 3.34Å; E308-R348 IonicContact OE1-NE 3.44Å; E308-R348 PolarHBondContact OE1-NE 3.28Å; E308-R348 IonicContact OE2-CZ 3.46Å; E308-R348 IonicContact OE2-NE 2.62Å; E308-R348 PolarHBondContact OE2-NE 2.88Å; E308-R348 IonicContact OE2-NH2 2.66Å; E308-R348 PolarHBondContact OE2-NH2 3.19Å; N345-R348 HydrophobicContact CB-CB 4.42Å; N345-R348 HydrophobicContact CB-CG 4.26Å; N345-R348 PolarHBondContact O-N 2.92Å; R348-G350 VanDerWaalsContact C-N 3.31Å; R348-G350 PolarHBondContact O-N 2.69Å; R348-Q351 VanDerWaalsContact CD-OE1 3.32Å; R348-Q351 VanDerWaalsContact NH1-OE1 3.11Å; R348-Q351 PolarHBondContact O-N 3.38Å; R348-W352 VanDerWaalsContact O-CB 3.25Å; R348-W352 WeakPolarHBondContact O-CB 3.49Å; R348-W352 PolarHBondContact O-N 3.15Å |
| 349 | V | 85.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -44.3 | 172.4 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | L315 L341 T344 N345 W352 I353 F382 | L315-V349 HydrophobicContact CD1-CG2 4.48Å; L341-V349 HydrophobicContact CD2-CG1 3.45Å; L341-V349 VanDerWaalsContact CD2-CG1 3.45Å; T344-V349 WeakPolarHBondContact OG1-CG2 3.18Å; N345-V349 WeakPolarHBondContact O-CG2 3.45Å; N345-V349 PolarHBondContact O-N 3.31Å; V349-W352 PolarHBondContact O-N 3.4Å; V349-I353 HydrophobicContact CG1-CD1 3.73Å; V349-I353 HydrophobicContact CG1-CG1 4.3Å; V349-I353 WeakPolarHBondContact O-CB 3.43Å; V349-I353 VanDerWaalsContact O-CG1 3.27Å; V349-I353 WeakPolarHBondContact O-CG1 3.38Å; V349-I353 PolarHBondContact O-N 2.88Å; V349-F382 HydrophobicContact CG1-CE1 3.71Å; V349-F382 HydrophobicContact CG1-CZ 4.05Å |
| 350 | G | 84.3 | Confident | 86 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S346 L347 R348 T354 | S346-G350 PolarHBondContact O-N 3.17Å; S346-G350 VanDerWaalsContact O-N 3.15Å; L347-G350 PolarHBondContact O-N 3.25Å; R348-G350 VanDerWaalsContact C-N 3.31Å; R348-G350 PolarHBondContact O-N 2.69Å; G350-T354 WeakPolarHBondContact O-CB 3.44Å; G350-T354 PolarHBondContact O-N 3.45Å; G350-T354 PolarHBondContact O-OG1 3.48Å |
| 351 | Q | 86.1 | Confident | 86.1 | Confident | 89 Ų | 89 | 57.7 Ų | 57.7 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -54.7 | 173.9 | -69.4 | 174.3 | -20.9 | 0 | 0 | 110.7 | L347 R348 I353 T354 D355 | L347-Q351 PolarHBondContact O-N 3Å; L347-Q351 VanDerWaalsContact O-N 3.16Å; R348-Q351 VanDerWaalsContact CD-OE1 3.32Å; R348-Q351 VanDerWaalsContact NH1-OE1 3.11Å; R348-Q351 PolarHBondContact O-N 3.38Å; Q351-I353 PolarHBondContact O-N 2.85Å; Q351-T354 WeakPolarHBondContact O-CA 3.25Å; Q351-T354 VanDerWaalsContact O-CB 3.32Å; Q351-T354 WeakPolarHBondContact O-CB 3.46Å; Q351-T354 PolarHBondContact O-N 3.33Å; Q351-D355 PolarHBondContact O-N 3.09Å |
| 352 | W | 91 | Very high | 86.4 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -42.5 | -177.6 | 179.5 | 82 | 0 | 0 | 0 | 114.2 | L312 L315 N316 L337 L341 R348 V349 T354 I356 L358 | L312-W352 HydrophobicContact CD1-CB 4.24Å; L312-W352 HydrophobicContact CD1-CG 4.16Å; L315-W352 HydrophobicContact CB-CD2 3.97Å; L315-W352 HydrophobicContact CB-CE3 4.47Å; L315-W352 HydrophobicContact CB-CG 4.44Å; L315-W352 HydrophobicContact CB-CH2 4.3Å; L315-W352 HydrophobicContact CB-CZ2 3.75Å; L315-W352 HydrophobicContact CD1-CD2 4.13Å; L315-W352 HydrophobicContact CD1-CE3 4.27Å; L315-W352 HydrophobicContact CD1-CG 4.31Å; L315-W352 HydrophobicContact CD2-CE3 4.49Å; L315-W352 HydrophobicContact CD2-CH2 4.4Å; L315-W352 HydrophobicContact CD2-CZ3 4.3Å; L315-W352 VanDerWaalsContact O-CZ2 3.24Å; L315-W352 WeakPolarHBondContact O-CZ2 3.47Å; N316-W352 PolarHBondContact OD1-NE1 2.89Å; L337-W352 HydrophobicContact CD1-CH2 3.83Å; L337-W352 HydrophobicContact CD1-CZ3 3.97Å; L341-W352 HydrophobicContact CD2-CZ3 4.45Å; R348-W352 VanDerWaalsContact O-CB 3.25Å; R348-W352 WeakPolarHBondContact O-CB 3.49Å; R348-W352 PolarHBondContact O-N 3.15Å; V349-W352 PolarHBondContact O-N 3.4Å; W352-T354 VanDerWaalsContact C-N 3.26Å; W352-T354 PolarHBondContact O-N 3.45Å; W352-I356 HydrophobicContact CD2-CD1 4.26Å; W352-I356 VanDerWaalsContact CE2-CD1 3.45Å; W352-I356 HydrophobicContact CZ2-CD1 3.71Å; W352-I356 VanDerWaalsContact NE1-CD1 3.26Å; W352-I356 WeakPolarHBondContact O-CB 3.44Å; W352-I356 PolarHBondContact O-N 3.19Å; W352-I356 VanDerWaalsContact O-N 3.17Å; W352-L358 HydrophobicContact CZ3-CD2 4.13Å |
| 353 | I | 89.7 | Confident | 86.7 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 174.1 | -75.5 | 176.2 | 0 | 0 | 0 | 111 | L341 V349 Q351 K357 L358 F382 M383 L388 | L341-I353 HydrophobicContact CD2-CD1 4.16Å; V349-I353 HydrophobicContact CG1-CD1 3.73Å; V349-I353 HydrophobicContact CG1-CG1 4.3Å; V349-I353 WeakPolarHBondContact O-CB 3.43Å; V349-I353 VanDerWaalsContact O-CG1 3.27Å; V349-I353 WeakPolarHBondContact O-CG1 3.38Å; V349-I353 PolarHBondContact O-N 2.88Å; Q351-I353 PolarHBondContact O-N 2.85Å; I353-K357 WeakPolarHBondContact O-CA 3.47Å; I353-K357 PolarHBondContact O-N 3.46Å; I353-K357 VanDerWaalsContact O-N 3.09Å; I353-L358 HydrophobicContact CD1-CD2 4.49Å; I353-L358 HydrophobicContact CG1-CD2 3.98Å; I353-L358 HydrophobicContact CG2-CB 4.3Å; I353-L358 PolarHBondContact O-N 3.44Å; I353-L358 VanDerWaalsContact O-N 3.09Å; I353-F382 HydrophobicContact CD1-CE1 4.43Å; I353-M383 HydrophobicContact CD1-CG 4.2Å; I353-M383 HydrophobicContact CG2-CE 3.85Å; I353-M383 HydrophobicContact CG2-SD 4.09Å; I353-L388 HydrophobicContact CD1-CD1 4.03Å |
| 354 | T | 87.1 | Confident | 87.1 | Confident | 92 Ų | 92 | 58.4 Ų | 58.4 | 56% | 0.564 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.7 | -47.7 | -178.7 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | G350 Q351 W352 I356 K357 | G350-T354 WeakPolarHBondContact O-CB 3.44Å; G350-T354 PolarHBondContact O-N 3.45Å; G350-T354 PolarHBondContact O-OG1 3.48Å; Q351-T354 WeakPolarHBondContact O-CA 3.25Å; Q351-T354 VanDerWaalsContact O-CB 3.32Å; Q351-T354 WeakPolarHBondContact O-CB 3.46Å; Q351-T354 PolarHBondContact O-N 3.33Å; W352-T354 VanDerWaalsContact C-N 3.26Å; W352-T354 PolarHBondContact O-N 3.45Å; T354-I356 PolarHBondContact O-N 3.25Å; T354-K357 VanDerWaalsContact O-CG 3.23Å; T354-K357 WeakPolarHBondContact O-CG 3.46Å; T354-K357 PolarHBondContact O-N 3.02Å; T354-K357 VanDerWaalsContact O-N 3.15Å |
| 355 | D | 88.4 | Confident | 87.3 | Confident | 128 Ų | 128 | 61.5 Ų | 61.5 | 68% | 0.684 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.4 | -44.1 | -177.3 | -67.2 | -31.2 | 0 | 0 | 0 | 111.9 | Q351 K357 | Q351-D355 PolarHBondContact O-N 3.09Å; D355-K357 VanDerWaalsContact C-N 3.32Å |
| 356 | I | 89.5 | Confident | 88 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -77.5 | -19.5 | 177.6 | -69.5 | -174.5 | 0 | 0 | 0 | 112.4 | Y319 W352 T354 L358 | Y319-I356 HydrophobicContact CD1-CD1 3.78Å; Y319-I356 HydrophobicContact CD2-CD1 3.95Å; Y319-I356 HydrophobicContact CD2-CG2 3.59Å; Y319-I356 HydrophobicContact CE1-CD1 4.09Å; Y319-I356 HydrophobicContact CE2-CD1 4.23Å; Y319-I356 HydrophobicContact CE2-CG2 3.39Å; Y319-I356 HydrophobicContact CG-CD1 3.7Å; Y319-I356 HydrophobicContact CG-CG2 4.4Å; W352-I356 HydrophobicContact CD2-CD1 4.26Å; W352-I356 VanDerWaalsContact CE2-CD1 3.45Å; W352-I356 HydrophobicContact CZ2-CD1 3.71Å; W352-I356 VanDerWaalsContact NE1-CD1 3.26Å; W352-I356 WeakPolarHBondContact O-CB 3.44Å; W352-I356 PolarHBondContact O-N 3.19Å; W352-I356 VanDerWaalsContact O-N 3.17Å; T354-I356 PolarHBondContact O-N 3.25Å; I356-L358 VanDerWaalsContact C-N 3.32Å |
| 357 | K | 90.5 | Very high | 88.8 | Confident | 144 Ų | 144 | 57.6 Ų | 57.6 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 50 | -170.7 | -54.9 | -177.7 | -177.7 | -174.3 | 0 | 110.5 | I353 T354 D355 L359 K360 L361 | I353-K357 WeakPolarHBondContact O-CA 3.47Å; I353-K357 PolarHBondContact O-N 3.46Å; I353-K357 VanDerWaalsContact O-N 3.09Å; T354-K357 VanDerWaalsContact O-CG 3.23Å; T354-K357 WeakPolarHBondContact O-CG 3.46Å; T354-K357 PolarHBondContact O-N 3.02Å; T354-K357 VanDerWaalsContact O-N 3.15Å; D355-K357 VanDerWaalsContact C-N 3.32Å; K357-L359 PolarHBondContact O-N 3.31Å; K357-L359 VanDerWaalsContact O-N 3.1Å; K357-K360 HydrophobicContact CB-CB 4.4Å; K357-K360 WeakPolarHBondContact O-CB 3.41Å; K357-K360 PolarHBondContact O-N 2.94Å; K357-L361 PolarHBondContact O-N 3Å |
| 358 | L | 91.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -47.4 | -45.3 | -169.6 | 177 | 63.8 | 0 | 0 | 0 | 112.6 | L337 W352 I353 I356 K360 L361 L362 I379 | L337-L358 HydrophobicContact CD2-CD1 4.29Å; L337-L358 HydrophobicContact CD2-CD2 4.25Å; W352-L358 HydrophobicContact CZ3-CD2 4.13Å; I353-L358 HydrophobicContact CD1-CD2 4.49Å; I353-L358 HydrophobicContact CG1-CD2 3.98Å; I353-L358 HydrophobicContact CG2-CB 4.3Å; I353-L358 PolarHBondContact O-N 3.44Å; I353-L358 VanDerWaalsContact O-N 3.09Å; I356-L358 VanDerWaalsContact C-N 3.32Å; L358-K360 VanDerWaalsContact C-N 3.32Å; L358-K360 PolarHBondContact O-N 2.85Å; L358-L361 WeakPolarHBondContact O-CA 3.38Å; L358-L361 VanDerWaalsContact O-CB 3.31Å; L358-L361 WeakPolarHBondContact O-CB 3.39Å; L358-L361 PolarHBondContact O-N 3.05Å; L358-L362 HydrophobicContact CD1-CD1 4.22Å; L358-L362 HydrophobicContact CD1-CD2 4.34Å; L358-L362 HydrophobicContact CD1-CG 4.05Å; L358-L362 HydrophobicContact CD2-CD1 4.44Å; L358-L362 HydrophobicContact CG-CD1 3.93Å; L358-L362 HydrophobicContact CG-CG 4.18Å; L358-L362 WeakPolarHBondContact O-CG 3.49Å; L358-L362 PolarHBondContact O-N 3.42Å; L358-I379 HydrophobicContact CD2-CG2 4.08Å |
| 359 | L | 92.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -40.7 | -179.5 | -174.2 | 59.3 | 0 | 0 | 0 | 113.1 | K357 L361 L362 L363 I380 L389 D393 I397 | K357-L359 PolarHBondContact O-N 3.31Å; K357-L359 VanDerWaalsContact O-N 3.1Å; L359-L361 VanDerWaalsContact C-N 3.3Å; L359-L361 PolarHBondContact O-N 2.83Å; L359-L362 PolarHBondContact O-N 3.35Å; L359-L363 HydrophobicContact CD1-CD1 3.65Å; L359-L363 HydrophobicContact CD1-CG 4.07Å; L359-L363 HydrophobicContact CG-CD1 3.82Å; L359-L363 WeakPolarHBondContact O-CB 3.03Å; L359-L363 WeakPolarHBondContact O-CG 3.27Å; L359-L363 PolarHBondContact O-N 3.47Å; L359-I380 HydrophobicContact CD1-CD1 3.77Å; L359-I380 HydrophobicContact CD1-CG1 3.65Å; L359-L389 HydrophobicContact CD2-CD1 3.95Å; L359-D393 HydrophobicContact CD2-CB 3.5Å; L359-D393 VanDerWaalsContact CD2-CB 3.5Å; L359-D393 WeakPolarHBondContact CD2-O 3.28Å; L359-D393 WeakPolarHBondContact CD2-OD1 3.33Å; L359-I397 HydrophobicContact CD1-CD1 4.42Å; L359-I397 HydrophobicContact CD1-CG1 4.19Å; L359-I397 HydrophobicContact CD2-CD1 3.96Å; L359-I397 HydrophobicContact CD2-CG1 3.99Å; L359-I397 HydrophobicContact CG-CG1 4.41Å |
| 360 | K | 91.5 | Very high | 90.5 | Very high | 134 Ų | 134 | 58.7 Ų | 58.7 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68.7 | -28.1 | 176.4 | -172.2 | 167.4 | -176.2 | 162.9 | 0 | 112.6 | K357 L358 I396 | K357-K360 HydrophobicContact CB-CB 4.4Å; K357-K360 WeakPolarHBondContact O-CB 3.41Å; K357-K360 PolarHBondContact O-N 2.94Å; L358-K360 VanDerWaalsContact C-N 3.32Å; L358-K360 PolarHBondContact O-N 2.85Å; K360-I396 HydrophobicContact CB-CD1 4.47Å; K360-I396 HydrophobicContact CB-CG2 4.23Å |
| 361 | L | 90.3 | Very high | 90.9 | Very high | 32 Ų | 32 | 64.5 Ų | 64.5 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.9 | -47.2 | 172.3 | -174 | 77.1 | 0 | 0 | 0 | 111.1 | Y319 F322 Q323 K357 L358 L359 L363 R364 | Y319-L361 HydrophobicContact CD2-CD2 3.7Å; Y319-L361 HydrophobicContact CE2-CD2 3.67Å; F322-L361 HydrophobicContact CD1-CD2 3.76Å; F322-L361 HydrophobicContact CD1-CG 4.27Å; F322-L361 HydrophobicContact CE1-CD2 3.88Å; F322-L361 HydrophobicContact CE1-CG 3.91Å; Q323-L361 HydrophobicContact CG-CD1 4.31Å; Q323-L361 HydrophobicContact CG-CD2 4.35Å; K357-L361 PolarHBondContact O-N 3Å; L358-L361 WeakPolarHBondContact O-CA 3.38Å; L358-L361 VanDerWaalsContact O-CB 3.31Å; L358-L361 WeakPolarHBondContact O-CB 3.39Å; L358-L361 PolarHBondContact O-N 3.05Å; L359-L361 VanDerWaalsContact C-N 3.3Å; L359-L361 PolarHBondContact O-N 2.83Å; L361-L363 PolarHBondContact O-N 3Å; L361-R364 WeakPolarHBondContact O-CB 3.48Å; L361-R364 PolarHBondContact O-N 3.35Å |
| 362 | L | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | -179.4 | -68.3 | 179.4 | 0 | 0 | 0 | 112.5 | F322 L334 L358 L359 R364 Y372 V376 I379 | F322-L362 HydrophobicContact CE1-CD2 4.49Å; F322-L362 HydrophobicContact CE2-CD2 4.05Å; F322-L362 HydrophobicContact CZ-CD2 3.89Å; L334-L362 HydrophobicContact CD2-CD2 3.47Å; L334-L362 VanDerWaalsContact CD2-CD2 3.47Å; L358-L362 HydrophobicContact CD1-CD1 4.22Å; L358-L362 HydrophobicContact CD1-CD2 4.34Å; L358-L362 HydrophobicContact CD1-CG 4.05Å; L358-L362 HydrophobicContact CD2-CD1 4.44Å; L358-L362 HydrophobicContact CG-CD1 3.93Å; L358-L362 HydrophobicContact CG-CG 4.18Å; L358-L362 WeakPolarHBondContact O-CG 3.49Å; L358-L362 PolarHBondContact O-N 3.42Å; L359-L362 PolarHBondContact O-N 3.35Å; L362-R364 VanDerWaalsContact C-N 3.3Å; L362-R364 PolarHBondContact O-N 2.91Å; L362-Y372 WeakPolarHBondContact O-CE1 3.44Å; L362-Y372 PolarHBondContact O-OH 2.89Å; L362-V376 HydrophobicContact CB-CG1 4.17Å; L362-V376 HydrophobicContact CB-CG2 4.01Å; L362-V376 HydrophobicContact CD1-CG1 4.35Å; L362-V376 HydrophobicContact CD1-CG2 4.41Å; L362-V376 HydrophobicContact CD2-CG2 4.39Å; L362-I379 HydrophobicContact CD1-CB 4.33Å; L362-I379 HydrophobicContact CD1-CD1 3.95Å; L362-I379 HydrophobicContact CD1-CG2 3.95Å |
| 363 | L | 92.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 2.4 | -177.5 | -63.3 | 172.1 | 0 | 0 | 0 | 114.5 | L359 L361 L367 V376 I396 I397 | L359-L363 HydrophobicContact CD1-CD1 3.65Å; L359-L363 HydrophobicContact CD1-CG 4.07Å; L359-L363 HydrophobicContact CG-CD1 3.82Å; L359-L363 WeakPolarHBondContact O-CB 3.03Å; L359-L363 WeakPolarHBondContact O-CG 3.27Å; L359-L363 PolarHBondContact O-N 3.47Å; L361-L363 PolarHBondContact O-N 3Å; L363-L367 HydrophobicContact CB-CD1 4.27Å; L363-L367 HydrophobicContact CD2-CD1 3.99Å; L363-L367 HydrophobicContact CD2-CD2 3.9Å; L363-L367 WeakPolarHBondContact O-CD1 3.31Å; L363-V376 HydrophobicContact CD2-CG1 4.07Å; L363-I396 HydrophobicContact CD1-CG2 4.07Å; L363-I397 HydrophobicContact CD1-CB 4.34Å; L363-I397 HydrophobicContact CD1-CG1 3.72Å |
| 364 | R | 88.3 | Confident | 91.9 | Very high | 184 Ų | 184 | 64.4 Ų | 64.4 | 69% | 0.694 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -37.6 | -178.5 | -176.9 | -175.6 | 153.6 | 141.8 | 3.6 | 113.2 | L361 L362 | L361-R364 WeakPolarHBondContact O-CB 3.48Å; L361-R364 PolarHBondContact O-N 3.35Å; L362-R364 VanDerWaalsContact C-N 3.3Å; L362-R364 PolarHBondContact O-N 2.91Å |
| 365 | E | 86.3 | Confident | 92.3 | Very high | 74 Ų | 74 | 62.4 Ų | 62.4 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -139.7 | 171.3 | -165.6 | -82.6 | 158.9 | -147.1 | 0 | 0 | 111 | K330 L367 Y372 | K330-E365 IonicContact NZ-OE2 3.28Å; K330-E365 PolarHBondContact NZ-OE2 3.43Å; E365-L367 PolarHBondContact O-N 3.33Å; E365-Y372 WeakPolarHBondContact O-CE1 3.43Å |
| 366 | N | 92.1 | Very high | 92.7 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | trans | 61.4 | -6.8 | 168 | -55.7 | -29.5 | 0 | 0 | 0 | 119 | F327 H368 Q369 Y372 | F327-N366 HydrophobicContact CD2-CB 4.14Å; F327-N366 HydrophobicContact CE2-CB 3.98Å; N366-H368 PolarHBondContact O-N 3.04Å; N366-Q369 PolarHBondContact O-N 3.32Å; N366-Y372 HydrophobicContact CB-CD1 3.7Å; N366-Y372 HydrophobicContact CB-CD2 3.82Å; N366-Y372 HydrophobicContact CB-CE1 3.77Å; N366-Y372 HydrophobicContact CB-CE2 3.87Å; N366-Y372 HydrophobicContact CB-CG 3.73Å | ||
| 367 | L | 93.9 | Very high | 93 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -5.5 | -179.4 | -56.7 | -176.8 | 0 | 0 | 0 | 116 | L363 E365 Q369 Y372 V373 I408 N411 I412 | L363-L367 HydrophobicContact CB-CD1 4.27Å; L363-L367 HydrophobicContact CD2-CD1 3.99Å; L363-L367 HydrophobicContact CD2-CD2 3.9Å; L363-L367 WeakPolarHBondContact O-CD1 3.31Å; E365-L367 PolarHBondContact O-N 3.33Å; L367-Q369 VanDerWaalsContact C-N 3.3Å; L367-Y372 HydrophobicContact CD2-CD1 4.11Å; L367-Y372 HydrophobicContact CD2-CE1 3.84Å; L367-V373 HydrophobicContact CB-CG2 4.26Å; L367-V373 HydrophobicContact CD2-CG2 3.93Å; L367-I408 HydrophobicContact CB-CG1 4.41Å; L367-I408 HydrophobicContact CB-CG2 3.89Å; L367-I408 HydrophobicContact CD1-CG2 4.43Å; L367-N411 PolarHBondContact O-ND2 2.68Å; L367-I412 HydrophobicContact CD1-CD1 3.93Å; L367-I412 HydrophobicContact CD1-CG1 4.34Å |
| 368 | H | 93.2 | Very high | 93.2 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -19.1 | 170.7 | 61.1 | -86.3 | 0 | 0 | 0 | 112.8 | N366 T407 I408 N411 | N366-H368 PolarHBondContact O-N 3.04Å; H368-T407 WeakPolarHBondContact O-CG2 3.43Å; H368-I408 HydrophobicContact CB-CD1 4.34Å; H368-I408 HydrophobicContact CB-CG1 3.9Å; H368-N411 PolarHBondContact O-ND2 3.2Å |
| 369 | Q | 94.8 | Very high | 93.3 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -101.3 | 118.8 | -179 | -49.1 | -165 | 24.3 | 0 | 0 | 110.3 | F327 N366 L367 Q371 Y372 V373 | F327-Q369 HydrophobicContact CE2-CB 4.5Å; F327-Q369 HydrophobicContact CE2-CG 4.49Å; F327-Q369 HydrophobicContact CZ-CB 4.26Å; F327-Q369 HydrophobicContact CZ-CG 4.47Å; N366-Q369 PolarHBondContact O-N 3.32Å; L367-Q369 VanDerWaalsContact C-N 3.3Å; Q369-Q371 PolarHBondContact O-N 2.93Å; Q369-Y372 WeakPolarHBondContact O-CB 3.33Å; Q369-Y372 PolarHBondContact O-N 3.09Å; Q369-Y372 VanDerWaalsContact O-N 3.17Å; Q369-V373 PolarHBondContact O-N 3.1Å |
| 370 | L | 94.4 | Very high | 93.4 | Very high | 80 Ų | 80 | 52 Ų | 52 | 42% | 0.419 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.4 | -43.9 | -173 | -177.2 | 62 | 0 | 0 | 0 | 112.5 | Y372 V373 E374 | L370-Y372 PolarHBondContact O-N 3.15Å; L370-Y372 VanDerWaalsContact O-N 3.15Å; L370-V373 CarbonylContact O-C 3.46Å; L370-V373 WeakPolarHBondContact O-CA 3.42Å; L370-V373 WeakPolarHBondContact O-CB 3.5Å; L370-V373 PolarHBondContact O-N 3.26Å; L370-E374 HydrophobicContact CD1-CG 4.46Å; L370-E374 HydrophobicContact CG-CG 4.29Å; L370-E374 WeakPolarHBondContact CG-OE1 3.42Å; L370-E374 WeakPolarHBondContact O-CG 3.37Å; L370-E374 PolarHBondContact O-N 3.09Å |
| 371 | Q | 92.6 | Very high | 93.5 | Very high | 130 Ų | 130 | 48 Ų | 48 | 61% | 0.607 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -56.3 | -31.9 | 178.1 | -65.2 | 174 | -16.5 | 0 | 0 | 113.7 | M331 Q369 E374 K375 | M331-Q371 HydrophobicContact CE-CB 3.92Å; Q369-Q371 PolarHBondContact O-N 2.93Å; Q371-E374 WeakPolarHBondContact CA-OE2 3.38Å; Q371-K375 WeakPolarHBondContact O-CG 3.49Å; Q371-K375 PolarHBondContact O-N 2.91Å |
| 372 | Y | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.7 | -41 | 174.5 | 176.5 | -89.1 | 0 | 0 | 0 | 111.1 | F322 F327 L334 L362 E365 N366 L367 Q369 L370 K375 V376 | F322-Y372 HydrophobicContact CE2-CE2 4.18Å; F322-Y372 HydrophobicContact CZ-CE2 4.36Å; F322-Y372 WeakPolarHBondContact CZ-OH 3.43Å; F327-Y372 AromaticContact CE2-CD2 3.92Å; F327-Y372 HydrophobicContact CE2-CD2 3.92Å; F327-Y372 HydrophobicContact CE2-CG 4.2Å; L334-Y372 HydrophobicContact CD1-CD2 3.76Å; L334-Y372 HydrophobicContact CD1-CE2 3.65Å; L362-Y372 WeakPolarHBondContact O-CE1 3.44Å; L362-Y372 PolarHBondContact O-OH 2.89Å; E365-Y372 WeakPolarHBondContact O-CE1 3.43Å; N366-Y372 HydrophobicContact CB-CD1 3.7Å; N366-Y372 HydrophobicContact CB-CD2 3.82Å; N366-Y372 HydrophobicContact CB-CE1 3.77Å; N366-Y372 HydrophobicContact CB-CE2 3.87Å; N366-Y372 HydrophobicContact CB-CG 3.73Å; L367-Y372 HydrophobicContact CD2-CD1 4.11Å; L367-Y372 HydrophobicContact CD2-CE1 3.84Å; Q369-Y372 WeakPolarHBondContact O-CB 3.33Å; Q369-Y372 PolarHBondContact O-N 3.09Å; Q369-Y372 VanDerWaalsContact O-N 3.17Å; L370-Y372 PolarHBondContact O-N 3.15Å; L370-Y372 VanDerWaalsContact O-N 3.15Å; Y372-K375 PolarHBondContact O-N 3.47Å; Y372-V376 HydrophobicContact CD1-CG2 4.15Å; Y372-V376 HydrophobicContact CE1-CG2 3.74Å; Y372-V376 WeakPolarHBondContact O-CG2 3.23Å; Y372-V376 PolarHBondContact O-N 3.17Å |
| 373 | V | 96 | Very high | 93.6 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -37.8 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | L367 Q369 L370 K375 V376 E377 N411 M415 | L367-V373 HydrophobicContact CB-CG2 4.26Å; L367-V373 HydrophobicContact CD2-CG2 3.93Å; Q369-V373 PolarHBondContact O-N 3.1Å; L370-V373 CarbonylContact O-C 3.46Å; L370-V373 WeakPolarHBondContact O-CA 3.42Å; L370-V373 WeakPolarHBondContact O-CB 3.5Å; L370-V373 PolarHBondContact O-N 3.26Å; V373-K375 VanDerWaalsContact C-N 3.26Å; V373-K375 PolarHBondContact O-N 2.74Å; V373-V376 CarbonylContact O-C 3.58Å; V373-V376 PolarHBondContact O-N 2.94Å; V373-E377 WeakPolarHBondContact O-CB 3.38Å; V373-E377 PolarHBondContact O-N 3.37Å; V373-N411 HydrophobicContact CB-CB 4.38Å; V373-N411 HydrophobicContact CG1-CB 4.28Å; V373-N411 HydrophobicContact CG2-CB 3.99Å; V373-M415 HydrophobicContact CG1-CB 3.98Å; V373-M415 HydrophobicContact CG1-CG 4.17Å; V373-M415 HydrophobicContact CG1-SD 3.74Å |
| 374 | E | 95.6 | Very high | 93.5 | Very high | 98 Ų | 98 | 47.6 Ų | 47.6 | 46% | 0.458 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.8 | -37.3 | 172.6 | -70.6 | 166.4 | 174.1 | 0 | 0 | 112.1 | L370 Q371 E377 E378 | L370-E374 HydrophobicContact CD1-CG 4.46Å; L370-E374 HydrophobicContact CG-CG 4.29Å; L370-E374 WeakPolarHBondContact CG-OE1 3.42Å; L370-E374 WeakPolarHBondContact O-CG 3.37Å; L370-E374 PolarHBondContact O-N 3.09Å; Q371-E374 WeakPolarHBondContact CA-OE2 3.38Å; E374-E377 WeakPolarHBondContact O-CB 3.49Å; E374-E377 PolarHBondContact O-N 2.88Å; E374-E378 PolarHBondContact O-N 3.38Å; E374-E378 VanDerWaalsContact O-N 3.09Å |
| 375 | K | 94.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 22% | 0.222 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -77.6 | -32.8 | 176.4 | -67.8 | -71.7 | 158.9 | -171.4 | 0 | 113.5 | M331 L334 N335 I338 Q371 Y372 V373 E377 E378 I379 | M331-K375 HydrophobicContact SD-CG 3.93Å; L334-K375 HydrophobicContact CB-CB 4.32Å; L334-K375 HydrophobicContact CD1-CB 4.06Å; N335-K375 VanDerWaalsContact OD1-CD 3.31Å; N335-K375 WeakPolarHBondContact OD1-CD 3.24Å; N335-K375 WeakPolarHBondContact OD1-CE 3.45Å; N335-K375 PolarHBondContact OD1-NZ 3.43Å; I338-K375 HydrophobicContact CD1-CB 4.15Å; I338-K375 HydrophobicContact CD1-CD 3.48Å; I338-K375 VanDerWaalsContact CD1-CD 3.48Å; I338-K375 HydrophobicContact CD1-CG 4.44Å; Q371-K375 WeakPolarHBondContact O-CG 3.49Å; Q371-K375 PolarHBondContact O-N 2.91Å; Y372-K375 PolarHBondContact O-N 3.47Å; V373-K375 VanDerWaalsContact C-N 3.26Å; V373-K375 PolarHBondContact O-N 2.74Å; K375-E377 VanDerWaalsContact C-N 3.35Å; K375-E378 IonicContact NZ-OE2 3.3Å; K375-E378 PolarHBondContact NZ-OE2 3.37Å; K375-E378 PolarHBondContact O-N 3Å; K375-I379 WeakPolarHBondContact O-CG1 3.32Å; K375-I379 PolarHBondContact O-N 3.27Å |
| 376 | V | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -36.7 | 169.3 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L362 L363 Y372 V373 E378 I379 I380 | L362-V376 HydrophobicContact CB-CG1 4.17Å; L362-V376 HydrophobicContact CB-CG2 4.01Å; L362-V376 HydrophobicContact CD1-CG1 4.35Å; L362-V376 HydrophobicContact CD1-CG2 4.41Å; L362-V376 HydrophobicContact CD2-CG2 4.39Å; L363-V376 HydrophobicContact CD2-CG1 4.07Å; Y372-V376 HydrophobicContact CD1-CG2 4.15Å; Y372-V376 HydrophobicContact CE1-CG2 3.74Å; Y372-V376 WeakPolarHBondContact O-CG2 3.23Å; Y372-V376 PolarHBondContact O-N 3.17Å; V373-V376 CarbonylContact O-C 3.58Å; V373-V376 PolarHBondContact O-N 2.94Å; V376-E378 PolarHBondContact O-N 2.76Å; V376-I379 PolarHBondContact O-N 2.97Å; V376-I380 HydrophobicContact CG1-CD1 3.77Å; V376-I380 HydrophobicContact CG1-CG1 4.32Å; V376-I380 VanDerWaalsContact O-CG1 3.31Å; V376-I380 WeakPolarHBondContact O-CG1 3.39Å; V376-I380 PolarHBondContact O-N 3.25Å |
| 377 | E | 95.9 | Very high | 93.7 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 173.1 | -166.4 | -167.6 | 112.9 | 0 | 0 | 111.3 | V373 E374 K375 I379 I380 R381 M415 H418 L419 | V373-E377 WeakPolarHBondContact O-CB 3.38Å; V373-E377 PolarHBondContact O-N 3.37Å; E374-E377 WeakPolarHBondContact O-CB 3.49Å; E374-E377 PolarHBondContact O-N 2.88Å; K375-E377 VanDerWaalsContact C-N 3.35Å; E377-I379 VanDerWaalsContact C-N 3.32Å; E377-I379 PolarHBondContact O-N 3.18Å; E377-I380 PolarHBondContact O-N 3.31Å; E377-R381 WeakPolarHBondContact O-CB 3.4Å; E377-R381 PolarHBondContact O-N 3.42Å; E377-R381 IonicContact OE1-CZ 3.47Å; E377-R381 IonicContact OE1-NH1 2.67Å; E377-R381 PolarHBondContact OE1-NH1 3.5Å; E377-R381 IonicContact OE1-NH2 3.38Å; E377-R381 PolarHBondContact OE1-NH2 2.87Å; E377-M415 HydrophobicContact CB-CG 3.88Å; E377-M415 HydrophobicContact CB-SD 4.43Å; E377-M415 HydrophobicContact CG-CG 3.8Å; E377-H418 IonicContact OE1-ND1 2.68Å; E377-H418 IonicContact OE2-CE1 3.17Å; E377-H418 IonicContact OE2-CG 3.87Å; E377-H418 IonicContact OE2-ND1 3.69Å; E377-H418 PolarHBondContact OE2-ND1 3.31Å; E377-L419 HydrophobicContact CG-CD1 4.22Å; E377-L419 HydrophobicContact CG-CD2 3.76Å; E377-L419 HydrophobicContact CG-CG 3.85Å |
| 378 | E | 94.7 | Very high | 93.4 | Very high | 76 Ų | 76 | 55 Ų | 55 | 36% | 0.355 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 176.2 | -166.6 | 166.8 | -166.1 | 0 | 0 | 112.5 | I338 E374 K375 V376 F382 | I338-E378 HydrophobicContact CD1-CB 4.09Å; I338-E378 HydrophobicContact CD1-CG 4.18Å; I338-E378 HydrophobicContact CG1-CG 4.36Å; I338-E378 HydrophobicContact CG2-CG 3.98Å; E374-E378 PolarHBondContact O-N 3.38Å; E374-E378 VanDerWaalsContact O-N 3.09Å; K375-E378 IonicContact NZ-OE2 3.3Å; K375-E378 PolarHBondContact NZ-OE2 3.37Å; K375-E378 PolarHBondContact O-N 3Å; V376-E378 PolarHBondContact O-N 2.76Å; E378-F382 PolarHBondContact O-N 2.81Å; E378-F382 VanDerWaalsContact O-N 3.1Å |
| 379 | I | 94 | Very high | 93.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.2 | -42.1 | 174.5 | -64.4 | 166.2 | 0 | 0 | 0 | 111.8 | L334 L337 I338 L341 L358 L362 K375 V376 E377 R381 F382 M383 | L334-I379 HydrophobicContact CD2-CD1 3.69Å; L337-I379 HydrophobicContact CD2-CD1 3.99Å; I338-I379 HydrophobicContact CD1-CD1 4.46Å; I338-I379 HydrophobicContact CD1-CG1 4.18Å; I338-I379 HydrophobicContact CG1-CD1 4.17Å; I338-I379 HydrophobicContact CG1-CG1 3.64Å; L341-I379 HydrophobicContact CD1-CG1 4.43Å; L341-I379 HydrophobicContact CD1-CG2 4.26Å; L358-I379 HydrophobicContact CD2-CG2 4.08Å; L362-I379 HydrophobicContact CD1-CB 4.33Å; L362-I379 HydrophobicContact CD1-CD1 3.95Å; L362-I379 HydrophobicContact CD1-CG2 3.95Å; K375-I379 WeakPolarHBondContact O-CG1 3.32Å; K375-I379 PolarHBondContact O-N 3.27Å; V376-I379 PolarHBondContact O-N 2.97Å; E377-I379 VanDerWaalsContact C-N 3.32Å; E377-I379 PolarHBondContact O-N 3.18Å; I379-R381 VanDerWaalsContact C-N 3.31Å; I379-R381 PolarHBondContact O-N 3.46Å; I379-F382 WeakPolarHBondContact O-CB 3.31Å; I379-F382 PolarHBondContact O-N 3.16Å; I379-M383 PolarHBondContact O-N 3.15Å |
| 380 | I | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.7 | -65.7 | 163.5 | 0 | 0 | 0 | 110.1 | L359 V376 E377 F382 M383 I384 L389 I397 M415 L419 | L359-I380 HydrophobicContact CD1-CD1 3.77Å; L359-I380 HydrophobicContact CD1-CG1 3.65Å; V376-I380 HydrophobicContact CG1-CD1 3.77Å; V376-I380 HydrophobicContact CG1-CG1 4.32Å; V376-I380 VanDerWaalsContact O-CG1 3.31Å; V376-I380 WeakPolarHBondContact O-CG1 3.39Å; V376-I380 PolarHBondContact O-N 3.25Å; E377-I380 PolarHBondContact O-N 3.31Å; I380-F382 VanDerWaalsContact C-N 3.32Å; I380-F382 PolarHBondContact O-N 3.03Å; I380-M383 CarbonylContact O-C 3.58Å; I380-M383 WeakPolarHBondContact O-CA 3.48Å; I380-M383 WeakPolarHBondContact O-CB 3.44Å; I380-M383 PolarHBondContact O-N 3.05Å; I380-I384 HydrophobicContact CG2-CD1 4.15Å; I380-I384 HydrophobicContact CG2-CG1 4.37Å; I380-I384 WeakPolarHBondContact O-CG1 3.44Å; I380-I384 PolarHBondContact O-N 3.48Å; I380-L389 HydrophobicContact CG2-CD1 4.19Å; I380-L389 HydrophobicContact CG2-CD2 4.08Å; I380-I397 HydrophobicContact CD1-CD1 4.08Å; I380-I397 HydrophobicContact CD1-CG1 4.37Å; I380-I397 HydrophobicContact CG2-CD1 4.35Å; I380-M415 HydrophobicContact CD1-CE 3.86Å; I380-M415 HydrophobicContact CD1-SD 3.83Å; I380-L419 HydrophobicContact CB-CD1 4.04Å; I380-L419 HydrophobicContact CD1-CD1 4.28Å; I380-L419 HydrophobicContact CG2-CD1 3.58Å; I380-L419 HydrophobicContact CG2-CD2 4.25Å |
| 381 | R | 93.8 | Very high | 93.1 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -40.4 | 172.5 | 174 | 174.9 | -75.2 | 117 | 4.4 | 112.3 | E377 I379 I384 R385 L419 E422 | E377-R381 WeakPolarHBondContact O-CB 3.4Å; E377-R381 PolarHBondContact O-N 3.42Å; E377-R381 IonicContact OE1-CZ 3.47Å; E377-R381 IonicContact OE1-NH1 2.67Å; E377-R381 PolarHBondContact OE1-NH1 3.5Å; E377-R381 IonicContact OE1-NH2 3.38Å; E377-R381 PolarHBondContact OE1-NH2 2.87Å; I379-R381 VanDerWaalsContact C-N 3.31Å; I379-R381 PolarHBondContact O-N 3.46Å; R381-I384 PolarHBondContact O-N 2.79Å; R381-R385 WeakPolarHBondContact O-CB 3.15Å; R381-R385 VanDerWaalsContact O-CG 3.24Å; R381-R385 WeakPolarHBondContact O-CG 3.24Å; R381-R385 PolarHBondContact O-N 2.75Å; R381-L419 HydrophobicContact CB-CD2 4.09Å; R381-E422 WeakPolarHBondContact CD-OE1 3.46Å; R381-E422 IonicContact CZ-OE1 2.83Å; R381-E422 IonicContact NE-OE1 3.36Å; R381-E422 PolarHBondContact NE-OE1 2.74Å; R381-E422 IonicContact NH2-OE1 2.8Å |
| 382 | F | 92.5 | Very high | 93.1 | Very high | 26 Ų | 26 | 50 Ų | 50 | 11% | 0.114 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 169.7 | 176.7 | -87.4 | 0 | 0 | 0 | 112.1 | L341 P342 V349 I353 E378 I379 I380 I384 R385 K386 | L341-F382 HydrophobicContact CB-CD1 4.21Å; L341-F382 HydrophobicContact CB-CD2 4.19Å; L341-F382 HydrophobicContact CB-CE1 3.96Å; L341-F382 HydrophobicContact CB-CE2 3.92Å; L341-F382 HydrophobicContact CB-CG 4.32Å; L341-F382 HydrophobicContact CB-CZ 3.81Å; L341-F382 HydrophobicContact CD1-CD1 4.2Å; L341-F382 HydrophobicContact CD2-CE1 4.13Å; L341-F382 HydrophobicContact CG-CE1 4.44Å; L341-F382 VanDerWaalsContact O-CZ 3.28Å; L341-F382 WeakPolarHBondContact O-CZ 3.43Å; P342-F382 HydrophobicContact CG-CD2 4.48Å; P342-F382 HydrophobicContact CG-CE2 4.37Å; V349-F382 HydrophobicContact CG1-CE1 3.71Å; V349-F382 HydrophobicContact CG1-CZ 4.05Å; I353-F382 HydrophobicContact CD1-CE1 4.43Å; E378-F382 PolarHBondContact O-N 2.81Å; E378-F382 VanDerWaalsContact O-N 3.1Å; I379-F382 WeakPolarHBondContact O-CB 3.31Å; I379-F382 PolarHBondContact O-N 3.16Å; I380-F382 VanDerWaalsContact C-N 3.32Å; I380-F382 PolarHBondContact O-N 3.03Å; F382-I384 PolarHBondContact O-N 3.1Å; F382-R385 PolarHBondContact O-N 3.41Å; F382-K386 HydrophobicContact CD1-CG 4.3Å; F382-K386 HydrophobicContact CD2-CG 4.43Å; F382-K386 HydrophobicContact CE1-CG 3.88Å; F382-K386 HydrophobicContact CE2-CG 4.03Å; F382-K386 HydrophobicContact CZ-CD 4.35Å; F382-K386 HydrophobicContact CZ-CG 3.74Å; F382-K386 WeakPolarHBondContact O-CB 3.12Å; F382-K386 WeakPolarHBondContact O-CG 3.43Å; F382-K386 PolarHBondContact O-N 3.31Å |
| 383 | M | 92.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 176.6 | -68.8 | 176.1 | 63.2 | 0 | 0 | 112.6 | I353 I379 I380 K386 L387 L388 L389 | I353-M383 HydrophobicContact CD1-CG 4.2Å; I353-M383 HydrophobicContact CG2-CE 3.85Å; I353-M383 HydrophobicContact CG2-SD 4.09Å; I379-M383 PolarHBondContact O-N 3.15Å; I380-M383 CarbonylContact O-C 3.58Å; I380-M383 WeakPolarHBondContact O-CA 3.48Å; I380-M383 WeakPolarHBondContact O-CB 3.44Å; I380-M383 PolarHBondContact O-N 3.05Å; M383-K386 PolarHBondContact O-N 3.44Å; M383-L387 PolarHBondContact O-N 2.91Å; M383-L387 VanDerWaalsContact O-N 3.17Å; M383-L388 HydrophobicContact CB-CB 4.23Å; M383-L388 HydrophobicContact CG-CB 4.49Å; M383-L388 PolarHBondContact O-N 2.72Å; M383-L389 HydrophobicContact CB-CB 4.23Å; M383-L389 HydrophobicContact CE-CD1 3.99Å; M383-L389 PolarHBondContact O-N 3.29Å |
| 384 | I | 91.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -53 | 174.3 | -65.3 | 166 | 0 | 0 | 0 | 110.2 | I380 R381 F382 K386 L387 L389 L419 E422 F423 | I380-I384 HydrophobicContact CG2-CD1 4.15Å; I380-I384 HydrophobicContact CG2-CG1 4.37Å; I380-I384 WeakPolarHBondContact O-CG1 3.44Å; I380-I384 PolarHBondContact O-N 3.48Å; R381-I384 PolarHBondContact O-N 2.79Å; F382-I384 PolarHBondContact O-N 3.1Å; I384-K386 PolarHBondContact O-N 2.99Å; I384-K386 VanDerWaalsContact O-N 3.16Å; I384-L387 PolarHBondContact O-N 2.79Å; I384-L389 HydrophobicContact CD1-CD2 4.28Å; I384-L389 HydrophobicContact CG1-CB 4.3Å; I384-L389 HydrophobicContact CG1-CD2 3.65Å; I384-L419 HydrophobicContact CD1-CB 4.25Å; I384-L419 HydrophobicContact CD1-CD2 3.83Å; I384-E422 HydrophobicContact CD1-CB 4.35Å; I384-E422 HydrophobicContact CG2-CB 3.93Å; I384-E422 WeakPolarHBondContact CG2-O 3.18Å; I384-F423 HydrophobicContact CD1-CD1 3.71Å; I384-F423 HydrophobicContact CD1-CE1 3.53Å; I384-F423 HydrophobicContact CG1-CD1 4.18Å; I384-F423 HydrophobicContact CG1-CE1 4.14Å |
| 385 | R | 90.5 | Very high | 92.7 | Very high | 163 Ų | 163 | 49.1 Ų | 49.1 | 62% | 0.615 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.4 | -21.4 | -177.7 | -70.2 | 170.7 | -174.1 | -166.8 | 0.1 | 114 | R381 F382 E422 | R381-R385 WeakPolarHBondContact O-CB 3.15Å; R381-R385 VanDerWaalsContact O-CG 3.24Å; R381-R385 WeakPolarHBondContact O-CG 3.24Å; R381-R385 PolarHBondContact O-N 2.75Å; F382-R385 PolarHBondContact O-N 3.41Å; R385-E422 IonicContact CZ-OE1 3.16Å; R385-E422 IonicContact CZ-OE2 2.74Å; R385-E422 VanDerWaalsContact CZ-OE2 3.25Å; R385-E422 IonicContact NE-OE2 3.9Å; R385-E422 PolarHBondContact NE-OE2 3.03Å; R385-E422 VanDerWaalsContact NH2-CD 3.31Å; R385-E422 IonicContact NH2-OE1 3.85Å; R385-E422 PolarHBondContact NH2-OE1 3.16Å; R385-E422 IonicContact NH2-OE2 3.7Å; R385-E422 PolarHBondContact NH2-OE2 3.46Å |
| 386 | K | 88.7 | Confident | 92.7 | Very high | 89 Ų | 89 | 49 Ų | 49 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 5 | 174.7 | -64.9 | -70.5 | -176.6 | 168.1 | 0 | 113.6 | S346 F382 M383 I384 L388 | S346-K386 PolarHBondContact OG-NZ 2.81Å; F382-K386 HydrophobicContact CD1-CG 4.3Å; F382-K386 HydrophobicContact CD2-CG 4.43Å; F382-K386 HydrophobicContact CE1-CG 3.88Å; F382-K386 HydrophobicContact CE2-CG 4.03Å; F382-K386 HydrophobicContact CZ-CD 4.35Å; F382-K386 HydrophobicContact CZ-CG 3.74Å; F382-K386 WeakPolarHBondContact O-CB 3.12Å; F382-K386 WeakPolarHBondContact O-CG 3.43Å; F382-K386 PolarHBondContact O-N 3.31Å; M383-K386 PolarHBondContact O-N 3.44Å; I384-K386 PolarHBondContact O-N 2.99Å; I384-K386 VanDerWaalsContact O-N 3.16Å; K386-L388 HydrophobicContact CB-CD1 3.85Å; K386-L388 HydrophobicContact CB-CG 3.83Å; K386-L388 PolarHBondContact O-N 2.79Å |
| 387 | L | 90 | Very high | 92.6 | Very high | 157 Ų | 157 | 49 Ų | 49 | 82% | 0.822 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 29.3 | -177.1 | -53.4 | 177.1 | 0 | 0 | 0 | 114 | M383 I384 | M383-L387 PolarHBondContact O-N 2.91Å; M383-L387 VanDerWaalsContact O-N 3.17Å; I384-L387 PolarHBondContact O-N 2.79Å |
| 388 | L | 88.7 | Confident | 92.5 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | trans | -91.7 | -16.3 | 180 | -61 | 175.6 | 0 | 0 | 0 | 113.4 | I353 M383 K386 T390 | I353-L388 HydrophobicContact CD1-CD1 4.03Å; M383-L388 HydrophobicContact CB-CB 4.23Å; M383-L388 HydrophobicContact CG-CB 4.49Å; M383-L388 PolarHBondContact O-N 2.72Å; K386-L388 HydrophobicContact CB-CD1 3.85Å; K386-L388 HydrophobicContact CB-CG 3.83Å; K386-L388 PolarHBondContact O-N 2.79Å; L388-T390 PolarHBondContact O-N 3.23Å | ||
| 389 | L | 92.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | trans | -79.2 | 105.4 | -178.3 | -169.8 | 75.2 | 0 | 0 | 0 | 111.1 | L359 I380 M383 I384 D393 L394 I397 F423 Q427 | L359-L389 HydrophobicContact CD2-CD1 3.95Å; I380-L389 HydrophobicContact CG2-CD1 4.19Å; I380-L389 HydrophobicContact CG2-CD2 4.08Å; M383-L389 HydrophobicContact CB-CB 4.23Å; M383-L389 HydrophobicContact CE-CD1 3.99Å; M383-L389 PolarHBondContact O-N 3.29Å; I384-L389 HydrophobicContact CD1-CD2 4.28Å; I384-L389 HydrophobicContact CG1-CB 4.3Å; I384-L389 HydrophobicContact CG1-CD2 3.65Å; L389-D393 HydrophobicContact CD1-CB 3.59Å; L389-D393 HydrophobicContact CG-CB 4.2Å; L389-L394 HydrophobicContact CD2-CD2 3.86Å; L389-L394 HydrophobicContact CD2-CG 4.35Å; L389-I397 HydrophobicContact CD1-CD1 4.22Å; L389-F423 HydrophobicContact CD2-CD1 4.34Å; L389-F423 HydrophobicContact CD2-CE1 3.69Å; L389-Q427 PolarHBondContact O-NE2 3.02Å | ||
| 390 | T | 91.4 | Very high | 92.3 | Very high | 68 Ų | 68 | 52.1 Ų | 52.1 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | trans | -77.5 | 179.5 | 180 | 69.3 | 0 | 0 | 0 | 0 | 112.7 | L388 D392 D393 L394 | L388-T390 PolarHBondContact O-N 3.23Å; T390-D392 PolarHBondContact OG1-N 3.15Å; T390-D393 WeakPolarHBondContact CB-OD2 3.45Å; T390-D393 WeakPolarHBondContact CG2-OD2 3.32Å; T390-D393 PolarHBondContact N-OD2 3.33Å; T390-D393 PolarHBondContact OG1-N 3.18Å; T390-D393 PolarHBondContact OG1-OD2 2.95Å; T390-L394 PolarHBondContact O-N 3.43Å | ||
| 391 | L | 92.6 | Very high | 92 | Very high | 70 Ų | 70 | 53 Ų | 53 | 37% | 0.366 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -75.3 | -37.7 | 170.7 | -56.3 | -173.2 | 0 | 0 | 0 | 111.2 | D393 L394 D395 Q427 H430 | L391-D393 PolarHBondContact O-N 3.45Å; L391-L394 HydrophobicContact CD2-CD1 4.23Å; L391-L394 WeakPolarHBondContact O-CA 3.43Å; L391-L394 WeakPolarHBondContact O-CB 3.42Å; L391-L394 PolarHBondContact O-N 2.66Å; L391-D395 PolarHBondContact O-N 2.92Å; L391-Q427 HydrophobicContact CD2-CG 4.08Å; L391-H430 HydrophobicContact CD1-CB 4.45Å; L391-H430 HydrophobicContact CD2-CB 3.95Å |
| 392 | D | 91.7 | Very high | 91.7 | Very high | 120 Ų | 120 | 55.3 Ų | 55.3 | 64% | 0.642 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.5 | -36.2 | 173.7 | -59 | 5.8 | 0 | 0 | 0 | 111.3 | T390 D395 I396 | T390-D392 PolarHBondContact OG1-N 3.15Å; D392-D395 PolarHBondContact O-N 3.01Å; D392-I396 WeakPolarHBondContact O-CG1 3.37Å; D392-I396 PolarHBondContact O-N 3.31Å |
| 393 | D | 93.6 | Very high | 91.3 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 15% | 0.15 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 172.9 | -74.4 | -55.8 | 0 | 0 | 0 | 113 | L359 L389 T390 L391 D395 I396 I397 | L359-D393 HydrophobicContact CD2-CB 3.5Å; L359-D393 VanDerWaalsContact CD2-CB 3.5Å; L359-D393 WeakPolarHBondContact CD2-O 3.28Å; L359-D393 WeakPolarHBondContact CD2-OD1 3.33Å; L389-D393 HydrophobicContact CD1-CB 3.59Å; L389-D393 HydrophobicContact CG-CB 4.2Å; T390-D393 WeakPolarHBondContact CB-OD2 3.45Å; T390-D393 WeakPolarHBondContact CG2-OD2 3.32Å; T390-D393 PolarHBondContact N-OD2 3.33Å; T390-D393 PolarHBondContact OG1-N 3.18Å; T390-D393 PolarHBondContact OG1-OD2 2.95Å; L391-D393 PolarHBondContact O-N 3.45Å; D393-D395 VanDerWaalsContact C-N 3.35Å; D393-I396 PolarHBondContact O-N 2.93Å; D393-I397 WeakPolarHBondContact O-CG1 3.31Å; D393-I397 PolarHBondContact O-N 3.47Å |
| 394 | L | 93.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.5 | -35.1 | 173.5 | -70.1 | 171.5 | 0 | 0 | 0 | 111.7 | L389 T390 L391 I397 W398 F423 Q427 | L389-L394 HydrophobicContact CD2-CD2 3.86Å; L389-L394 HydrophobicContact CD2-CG 4.35Å; T390-L394 PolarHBondContact O-N 3.43Å; L391-L394 HydrophobicContact CD2-CD1 4.23Å; L391-L394 WeakPolarHBondContact O-CA 3.43Å; L391-L394 WeakPolarHBondContact O-CB 3.42Å; L391-L394 PolarHBondContact O-N 2.66Å; L394-I397 HydrophobicContact CD2-CD1 4.24Å; L394-I397 PolarHBondContact O-N 3.43Å; L394-W398 WeakPolarHBondContact O-CB 3.44Å; L394-W398 PolarHBondContact O-N 2.61Å; L394-F423 HydrophobicContact CD2-CE1 3.9Å; L394-F423 HydrophobicContact CD2-CE2 4.2Å; L394-F423 HydrophobicContact CD2-CZ 3.63Å; L394-Q427 HydrophobicContact CD1-CB 3.61Å; L394-Q427 HydrophobicContact CD1-CG 3.77Å |
| 395 | D | 94 | Very high | 91 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 171.1 | -73.9 | -34.4 | 0 | 0 | 0 | 111.1 | L391 D392 D393 I397 W398 E399 H430 C434 | L391-D395 PolarHBondContact O-N 2.92Å; D392-D395 PolarHBondContact O-N 3.01Å; D393-D395 VanDerWaalsContact C-N 3.35Å; D395-I397 VanDerWaalsContact C-N 3.35Å; D395-I397 PolarHBondContact O-N 3.44Å; D395-W398 PolarHBondContact O-N 3.49Å; D395-E399 WeakPolarHBondContact O-CB 3.46Å; D395-E399 WeakPolarHBondContact O-CG 3.45Å; D395-E399 PolarHBondContact O-N 3.23Å; D395-H430 IonicContact OD1-CD2 3.2Å; D395-H430 IonicContact OD1-CE1 3.54Å; D395-H430 IonicContact OD1-NE2 3.6Å; D395-H430 PolarHBondContact OD1-NE2 3.29Å; D395-H430 IonicContact OD2-CE1 2.78Å; D395-H430 PolarHBondContact OD2-CE1 2.99Å; D395-H430 IonicContact OD2-NE2 2.7Å; D395-H430 PolarHBondContact OD2-NE2 3.23Å; D395-C434 PolarHBondContact OD1-SG 3.21Å |
| 396 | I | 94 | Very high | 90.8 | Very high | 49 Ų | 49 | 64.2 Ų | 64.2 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 173 | -65 | 164.4 | 0 | 0 | 0 | 111.3 | K360 L363 D392 D393 S400 | K360-I396 HydrophobicContact CB-CD1 4.47Å; K360-I396 HydrophobicContact CB-CG2 4.23Å; L363-I396 HydrophobicContact CD1-CG2 4.07Å; D392-I396 WeakPolarHBondContact O-CG1 3.37Å; D392-I396 PolarHBondContact O-N 3.31Å; D393-I396 PolarHBondContact O-N 2.93Å; I396-S400 WeakPolarHBondContact O-CB 3.48Å; I396-S400 PolarHBondContact O-N 3.48Å; I396-S400 VanDerWaalsContact O-N 3.15Å |
| 397 | I | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -47.2 | 173 | -68.3 | 158 | 0 | 0 | 0 | 110.6 | L359 L363 I380 L389 D393 L394 D395 S400 I412 M415 L416 | L359-I397 HydrophobicContact CD1-CD1 4.42Å; L359-I397 HydrophobicContact CD1-CG1 4.19Å; L359-I397 HydrophobicContact CD2-CD1 3.96Å; L359-I397 HydrophobicContact CD2-CG1 3.99Å; L359-I397 HydrophobicContact CG-CG1 4.41Å; L363-I397 HydrophobicContact CD1-CB 4.34Å; L363-I397 HydrophobicContact CD1-CG1 3.72Å; I380-I397 HydrophobicContact CD1-CD1 4.08Å; I380-I397 HydrophobicContact CD1-CG1 4.37Å; I380-I397 HydrophobicContact CG2-CD1 4.35Å; L389-I397 HydrophobicContact CD1-CD1 4.22Å; D393-I397 WeakPolarHBondContact O-CG1 3.31Å; D393-I397 PolarHBondContact O-N 3.47Å; L394-I397 HydrophobicContact CD2-CD1 4.24Å; L394-I397 PolarHBondContact O-N 3.43Å; D395-I397 VanDerWaalsContact C-N 3.35Å; D395-I397 PolarHBondContact O-N 3.44Å; I397-S400 PolarHBondContact O-N 2.91Å; I397-S400 PolarHBondContact O-OG 2.97Å; I397-I412 HydrophobicContact CG2-CG2 4.44Å; I397-M415 HydrophobicContact CG2-CE 3.76Å; I397-L416 HydrophobicContact CG2-CD1 4.36Å; I397-L416 HydrophobicContact CG2-CD2 3.78Å; I397-L416 HydrophobicContact CG2-CG 4.12Å |
| 398 | W | 93.8 | Very high | 91 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 6% | 0.064 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.6 | -34.1 | -176.6 | -176.3 | -112.8 | 0 | 0 | 0 | 113.8 | L394 D395 S400 Q401 F413 L416 C434 F435 S438 L450 L453 | L394-W398 WeakPolarHBondContact O-CB 3.44Å; L394-W398 PolarHBondContact O-N 2.61Å; D395-W398 PolarHBondContact O-N 3.49Å; W398-S400 VanDerWaalsContact C-N 3.32Å; W398-Q401 HydrophobicContact CE3-CG 4.48Å; W398-Q401 VanDerWaalsContact O-CG 3.31Å; W398-Q401 WeakPolarHBondContact O-CG 3.32Å; W398-Q401 PolarHBondContact O-NE2 2.93Å; W398-F413 AromaticContact CH2-CE1 3.9Å; W398-F413 HydrophobicContact CH2-CE1 3.9Å; W398-F413 HydrophobicContact CH2-CZ 4.08Å; W398-F413 HydrophobicContact CZ3-CD1 4.37Å; W398-F413 AromaticContact CZ3-CE1 3.64Å; W398-F413 HydrophobicContact CZ3-CE1 3.64Å; W398-F413 HydrophobicContact CZ3-CZ 4.26Å; W398-L416 HydrophobicContact CE3-CD1 3.95Å; W398-L416 HydrophobicContact CZ3-CD1 4.21Å; W398-C434 HydrophobicContact CD2-CB 4.43Å; W398-C434 HydrophobicContact CG-CB 3.98Å; W398-F435 HydrophobicContact CE3-CE1 4.09Å; W398-F435 AromaticContact CH2-CD1 3.79Å; W398-F435 HydrophobicContact CH2-CD1 3.79Å; W398-F435 AromaticContact CH2-CE1 3.82Å; W398-F435 HydrophobicContact CH2-CE1 3.82Å; W398-F435 HydrophobicContact CZ2-CD1 4Å; W398-F435 HydrophobicContact CZ2-CE1 4.39Å; W398-F435 HydrophobicContact CZ3-CD1 4.09Å; W398-F435 AromaticContact CZ3-CE1 3.64Å; W398-F435 HydrophobicContact CZ3-CE1 3.64Å; W398-S438 WeakPolarHBondContact CZ2-OG 3.42Å; W398-L450 HydrophobicContact CH2-CD1 4.05Å; W398-L450 HydrophobicContact CZ2-CD1 4.49Å; W398-L453 HydrophobicContact CH2-CD2 4.06Å; W398-L453 HydrophobicContact CZ3-CD2 3.76Å |
| 399 | E | 91.7 | Very high | 91.1 | Very high | 131 Ų | 131 | 55.4 Ų | 55.4 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71.4 | -27.6 | 173.9 | -72.6 | -165 | 150.4 | 0 | 0 | 112.1 | D395 Q401 I402 | D395-E399 WeakPolarHBondContact O-CB 3.46Å; D395-E399 WeakPolarHBondContact O-CG 3.45Å; D395-E399 PolarHBondContact O-N 3.23Å; E399-Q401 PolarHBondContact O-N 3.29Å; E399-Q401 VanDerWaalsContact O-N 3.11Å; E399-I402 HydrophobicContact CB-CD1 4.42Å; E399-I402 HydrophobicContact CG-CD1 4.21Å; E399-I402 WeakPolarHBondContact O-CB 3.23Å; E399-I402 PolarHBondContact O-N 2.92Å |
| 400 | S | 91.7 | Very high | 91.1 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.1 | -176 | 74.6 | 0 | 0 | 0 | 0 | 114.4 | I396 I397 W398 K404 I412 | I396-S400 WeakPolarHBondContact O-CB 3.48Å; I396-S400 PolarHBondContact O-N 3.48Å; I396-S400 VanDerWaalsContact O-N 3.15Å; I397-S400 PolarHBondContact O-N 2.91Å; I397-S400 PolarHBondContact O-OG 2.97Å; W398-S400 VanDerWaalsContact C-N 3.32Å; S400-K404 WeakPolarHBondContact O-CE 3.37Å; S400-K404 WeakPolarHBondContact O-CG 3.11Å; S400-I412 WeakPolarHBondContact OG-CD1 3.35Å |
| 401 | Q | 90 | Very high | 91.2 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -16.7 | 174.4 | 56.5 | 74.4 | 27.2 | 0 | 0 | 114.6 | W398 E399 G403 K404 I409 I412 F413 | W398-Q401 HydrophobicContact CE3-CG 4.48Å; W398-Q401 VanDerWaalsContact O-CG 3.31Å; W398-Q401 WeakPolarHBondContact O-CG 3.32Å; W398-Q401 PolarHBondContact O-NE2 2.93Å; E399-Q401 PolarHBondContact O-N 3.29Å; E399-Q401 VanDerWaalsContact O-N 3.11Å; Q401-G403 PolarHBondContact O-N 3.4Å; Q401-K404 WeakPolarHBondContact O-CB 3.39Å; Q401-K404 WeakPolarHBondContact O-CG 3.35Å; Q401-K404 PolarHBondContact O-N 3.2Å; Q401-K404 VanDerWaalsContact O-N 3.12Å; Q401-I409 HydrophobicContact CB-CB 4.49Å; Q401-I409 HydrophobicContact CB-CG1 4.12Å; Q401-I409 HydrophobicContact CB-CG2 4.38Å; Q401-I412 HydrophobicContact CB-CB 4.36Å; Q401-I412 HydrophobicContact CB-CD1 3.67Å; Q401-I412 HydrophobicContact CB-CG2 4.28Å; Q401-I412 HydrophobicContact CG-CG2 4.34Å; Q401-F413 HydrophobicContact CG-CE1 4.12Å |
| 402 | I | 86.1 | Confident | 91.2 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 121.6 | -171.1 | -60 | 179.4 | 0 | 0 | 0 | 110.2 | E399 K404 | E399-I402 HydrophobicContact CB-CD1 4.42Å; E399-I402 HydrophobicContact CG-CD1 4.21Å; E399-I402 WeakPolarHBondContact O-CB 3.23Å; E399-I402 PolarHBondContact O-N 2.92Å; I402-K404 VanDerWaalsContact C-N 3.26Å; I402-K404 PolarHBondContact O-N 3.07Å |
| 403 | G | 83.9 | Confident | 91.2 | Very high | 74.5 Ų | 74.5 | 50.5 Ų | 50.5 | 77% | 0.768 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 14.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q401 | Q401-G403 PolarHBondContact O-N 3.4Š|
| 404 | K | 89.1 | Confident | 91.1 | Very high | 104.5 Ų | 104.5 | 51.4 Ų | 51.4 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | trans | -90.7 | 171.3 | 179.8 | -53.6 | -55.2 | -179.7 | 173.3 | 0 | 113.2 | S400 Q401 I402 I408 I409 | S400-K404 WeakPolarHBondContact O-CE 3.37Å; S400-K404 WeakPolarHBondContact O-CG 3.11Å; Q401-K404 WeakPolarHBondContact O-CB 3.39Å; Q401-K404 WeakPolarHBondContact O-CG 3.35Å; Q401-K404 PolarHBondContact O-N 3.2Å; Q401-K404 VanDerWaalsContact O-N 3.12Å; I402-K404 VanDerWaalsContact C-N 3.26Å; I402-K404 PolarHBondContact O-N 3.07Å; K404-I408 HydrophobicContact CB-CB 3.89Å; K404-I408 HydrophobicContact CB-CD1 4.05Å; K404-I408 HydrophobicContact CB-CG2 3.75Å; K404-I408 HydrophobicContact CG-CG2 3.95Å; K404-I409 HydrophobicContact CB-CG1 4.47Å; K404-I409 WeakPolarHBondContact O-CD1 3.37Å | ||
| 405 | H | 89.2 | Confident | 91.2 | Very high | 124 Ų | 124 | 51.4 Ų | 51.4 | 57% | 0.574 | 27% | 0.269 | S | S | * | . | trans | -64.1 | 151.9 | 173 | -169.7 | -107.8 | 0 | 0 | 0 | 112.2 | T407 I408 I409 | H405-T407 VanDerWaalsContact C-N 3.27Å; H405-T407 PolarHBondContact CE1-OG1 3.18Å; H405-T407 VanDerWaalsContact CE1-OG1 3.29Å; H405-T407 PolarHBondContact ND1-N 3.19Å; H405-T407 PolarHBondContact ND1-OG1 3.21Å; H405-T407 PolarHBondContact O-N 3.42Å; H405-T407 VanDerWaalsContact O-N 3.15Å; H405-I408 HydrophobicContact CB-CD1 4.27Å; H405-I408 WeakPolarHBondContact O-CB 3.39Å; H405-I408 PolarHBondContact O-N 2.79Å; H405-I409 PolarHBondContact O-N 3.07Å | ||
| 406 | E | 86.9 | Confident | 91.1 | Very high | 85 Ų | 85 | 49 Ų | 49 | 40% | 0.397 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -52 | -41.2 | -177.4 | -120 | -138.9 | 159.5 | 0 | 0 | 113.4 | I408 I409 K410 R445 R449 | E406-I408 VanDerWaalsContact C-N 3.33Å; E406-I408 PolarHBondContact O-N 3.08Å; E406-I409 PolarHBondContact O-N 2.88Å; E406-K410 WeakPolarHBondContact O-CB 3.42Å; E406-K410 PolarHBondContact O-N 3.35Å; E406-R445 IonicContact OE1-NH2 2.84Å; E406-R445 IonicContact OE2-CZ 2.81Å; E406-R445 IonicContact OE2-NE 3.19Å; E406-R445 PolarHBondContact OE2-NE 3.29Å; E406-R445 IonicContact OE2-NH2 3.75Å; E406-R445 PolarHBondContact OE2-NH2 3.3Å; E406-R449 VanDerWaalsContact CD-CZ 3.42Å; E406-R449 VanDerWaalsContact CD-NH2 3.32Å; E406-R449 IonicContact OE1-CZ 3.08Å; E406-R449 IonicContact OE1-NE 2.87Å; E406-R449 PolarHBondContact OE1-NE 3.46Å; E406-R449 IonicContact OE1-NH1 2.67Å; E406-R449 PolarHBondContact OE1-NH1 3.01Å; E406-R449 IonicContact OE1-NH2 3.09Å; E406-R449 PolarHBondContact OE1-NH2 3.36Å; E406-R449 IonicContact OE2-CZ 3.59Å; E406-R449 IonicContact OE2-NE 3.55Å; E406-R449 IonicContact OE2-NH1 3.56Å; E406-R449 PolarHBondContact OE2-NH1 3.42Å; E406-R449 IonicContact OE2-NH2 2.74Å; E406-R449 PolarHBondContact OE2-NH2 3.21Å |
| 407 | T | 90.9 | Very high | 90.9 | Very high | 62 Ų | 62 | 47.1 Ų | 47.1 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.9 | -42.2 | 176.5 | -35.7 | 0 | 0 | 0 | 0 | 112.5 | H368 H405 K410 N411 | H368-T407 WeakPolarHBondContact O-CG2 3.43Å; H405-T407 VanDerWaalsContact C-N 3.27Å; H405-T407 PolarHBondContact CE1-OG1 3.18Å; H405-T407 VanDerWaalsContact CE1-OG1 3.29Å; H405-T407 PolarHBondContact ND1-N 3.19Å; H405-T407 PolarHBondContact ND1-OG1 3.21Å; H405-T407 PolarHBondContact O-N 3.42Å; H405-T407 VanDerWaalsContact O-N 3.15Å; T407-K410 PolarHBondContact O-N 3.16Å; T407-N411 WeakPolarHBondContact O-CB 3.2Å; T407-N411 PolarHBondContact O-N 3.25Å; T407-N411 PolarHBondContact O-ND2 2.79Å; T407-N411 PolarHBondContact O-OD1 2.84Å |
| 408 | I | 91.8 | Very high | 90.6 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.3 | -45.8 | -179.5 | -65.7 | 164.7 | 0 | 0 | 0 | 109.4 | L367 H368 K404 H405 E406 K410 N411 I412 | L367-I408 HydrophobicContact CB-CG1 4.41Å; L367-I408 HydrophobicContact CB-CG2 3.89Å; L367-I408 HydrophobicContact CD1-CG2 4.43Å; H368-I408 HydrophobicContact CB-CD1 4.34Å; H368-I408 HydrophobicContact CB-CG1 3.9Å; K404-I408 HydrophobicContact CB-CB 3.89Å; K404-I408 HydrophobicContact CB-CD1 4.05Å; K404-I408 HydrophobicContact CB-CG2 3.75Å; K404-I408 HydrophobicContact CG-CG2 3.95Å; H405-I408 HydrophobicContact CB-CD1 4.27Å; H405-I408 WeakPolarHBondContact O-CB 3.39Å; H405-I408 PolarHBondContact O-N 2.79Å; E406-I408 VanDerWaalsContact C-N 3.33Å; E406-I408 PolarHBondContact O-N 3.08Å; I408-K410 VanDerWaalsContact C-N 3.33Å; I408-K410 PolarHBondContact O-N 3.05Å; I408-N411 PolarHBondContact O-N 3.28Å; I408-I412 HydrophobicContact CG2-CD1 3.56Å; I408-I412 HydrophobicContact CG2-CG1 4.45Å; I408-I412 WeakPolarHBondContact O-CD1 3.4Å; I408-I412 VanDerWaalsContact O-CG1 3.29Å; I408-I412 WeakPolarHBondContact O-CG1 3.26Å; I408-I412 PolarHBondContact O-N 3.33Å |
| 409 | I | 90.7 | Very high | 90.5 | Very high | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 177 | -57.9 | 170.8 | 0 | 0 | 0 | 110.1 | Q401 K404 H405 E406 I412 F413 | Q401-I409 HydrophobicContact CB-CB 4.49Å; Q401-I409 HydrophobicContact CB-CG1 4.12Å; Q401-I409 HydrophobicContact CB-CG2 4.38Å; K404-I409 HydrophobicContact CB-CG1 4.47Å; K404-I409 WeakPolarHBondContact O-CD1 3.37Å; H405-I409 PolarHBondContact O-N 3.07Å; E406-I409 PolarHBondContact O-N 2.88Å; I409-I412 PolarHBondContact O-N 3.06Å; I409-F413 HydrophobicContact CG2-CD1 4.13Å; I409-F413 HydrophobicContact CG2-CD2 4.27Å; I409-F413 HydrophobicContact CG2-CE1 3.83Å; I409-F413 HydrophobicContact CG2-CE2 3.99Å; I409-F413 HydrophobicContact CG2-CG 4.36Å; I409-F413 HydrophobicContact CG2-CZ 3.75Å; I409-F413 VanDerWaalsContact O-CB 3.31Å; I409-F413 WeakPolarHBondContact O-CB 3.41Å; I409-F413 VanDerWaalsContact O-CD1 3.26Å; I409-F413 WeakPolarHBondContact O-CD1 3.31Å; I409-F413 VanDerWaalsContact O-CG 3.26Å; I409-F413 WeakPolarHBondContact O-CG 3.31Å; I409-F413 PolarHBondContact O-N 3.3Å |
| 410 | K | 90.9 | Very high | 90.3 | Very high | 134.5 Ų | 134.5 | 44.9 Ų | 44.9 | 59% | 0.585 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.8 | -44.6 | 177.7 | -174.5 | 177.7 | 178.9 | -179.1 | 0 | 112.4 | E406 T407 I408 I412 F413 N414 | E406-K410 WeakPolarHBondContact O-CB 3.42Å; E406-K410 PolarHBondContact O-N 3.35Å; T407-K410 PolarHBondContact O-N 3.16Å; I408-K410 VanDerWaalsContact C-N 3.33Å; I408-K410 PolarHBondContact O-N 3.05Å; K410-I412 PolarHBondContact O-N 2.95Å; K410-F413 PolarHBondContact O-N 3.12Å; K410-N414 PolarHBondContact O-N 2.88Å; K410-N414 PolarHBondContact O-OD1 3.09Å |
| 411 | N | 93.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.064 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 179.6 | -66.6 | -10.2 | 0 | 0 | 0 | 111.4 | L367 H368 V373 T407 I408 F413 N414 M415 | L367-N411 PolarHBondContact O-ND2 2.68Å; H368-N411 PolarHBondContact O-ND2 3.2Å; V373-N411 HydrophobicContact CB-CB 4.38Å; V373-N411 HydrophobicContact CG1-CB 4.28Å; V373-N411 HydrophobicContact CG2-CB 3.99Å; T407-N411 WeakPolarHBondContact O-CB 3.2Å; T407-N411 PolarHBondContact O-N 3.25Å; T407-N411 PolarHBondContact O-ND2 2.79Å; T407-N411 PolarHBondContact O-OD1 2.84Å; I408-N411 PolarHBondContact O-N 3.28Å; N411-F413 VanDerWaalsContact C-N 3.33Å; N411-F413 PolarHBondContact O-N 3.13Å; N411-N414 PolarHBondContact O-N 3.24Å; N411-M415 VanDerWaalsContact O-CB 3.32Å; N411-M415 WeakPolarHBondContact O-CB 3.28Å; N411-M415 PolarHBondContact O-N 3.3Å |
| 412 | I | 93.1 | Very high | 89.8 | Confident | 0.5 Ų | 0.5 | 50.2 Ų | 50.2 | 0% | 0.003 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 176.3 | -65.1 | 158 | 0 | 0 | 0 | 111.1 | L367 I397 S400 Q401 I408 I409 K410 M415 L416 | L367-I412 HydrophobicContact CD1-CD1 3.93Å; L367-I412 HydrophobicContact CD1-CG1 4.34Å; I397-I412 HydrophobicContact CG2-CG2 4.44Å; S400-I412 WeakPolarHBondContact OG-CD1 3.35Å; Q401-I412 HydrophobicContact CB-CB 4.36Å; Q401-I412 HydrophobicContact CB-CD1 3.67Å; Q401-I412 HydrophobicContact CB-CG2 4.28Å; Q401-I412 HydrophobicContact CG-CG2 4.34Å; I408-I412 HydrophobicContact CG2-CD1 3.56Å; I408-I412 HydrophobicContact CG2-CG1 4.45Å; I408-I412 WeakPolarHBondContact O-CD1 3.4Å; I408-I412 VanDerWaalsContact O-CG1 3.29Å; I408-I412 WeakPolarHBondContact O-CG1 3.26Å; I408-I412 PolarHBondContact O-N 3.33Å; I409-I412 PolarHBondContact O-N 3.06Å; K410-I412 PolarHBondContact O-N 2.95Å; I412-M415 PolarHBondContact O-N 3.29Å; I412-L416 HydrophobicContact CG2-CD1 4.11Å; I412-L416 WeakPolarHBondContact O-CB 3.43Å; I412-L416 WeakPolarHBondContact O-CG 3.4Å; I412-L416 PolarHBondContact O-N 3.01Å |
| 413 | F | 92.7 | Very high | 89.9 | Confident | 15.5 Ų | 15.5 | 46.4 Ų | 46.4 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -46.1 | 177.9 | -79.4 | 17.7 | 0 | 0 | 0 | 111.4 | W398 Q401 I409 K410 N411 M415 L416 T417 R449 L450 L453 | W398-F413 AromaticContact CH2-CE1 3.9Å; W398-F413 HydrophobicContact CH2-CE1 3.9Å; W398-F413 HydrophobicContact CH2-CZ 4.08Å; W398-F413 HydrophobicContact CZ3-CD1 4.37Å; W398-F413 AromaticContact CZ3-CE1 3.64Å; W398-F413 HydrophobicContact CZ3-CE1 3.64Å; W398-F413 HydrophobicContact CZ3-CZ 4.26Å; Q401-F413 HydrophobicContact CG-CE1 4.12Å; I409-F413 HydrophobicContact CG2-CD1 4.13Å; I409-F413 HydrophobicContact CG2-CD2 4.27Å; I409-F413 HydrophobicContact CG2-CE1 3.83Å; I409-F413 HydrophobicContact CG2-CE2 3.99Å; I409-F413 HydrophobicContact CG2-CG 4.36Å; I409-F413 HydrophobicContact CG2-CZ 3.75Å; I409-F413 VanDerWaalsContact O-CB 3.31Å; I409-F413 WeakPolarHBondContact O-CB 3.41Å; I409-F413 VanDerWaalsContact O-CD1 3.26Å; I409-F413 WeakPolarHBondContact O-CD1 3.31Å; I409-F413 VanDerWaalsContact O-CG 3.26Å; I409-F413 WeakPolarHBondContact O-CG 3.31Å; I409-F413 PolarHBondContact O-N 3.3Å; K410-F413 PolarHBondContact O-N 3.12Å; N411-F413 VanDerWaalsContact C-N 3.33Å; N411-F413 PolarHBondContact O-N 3.13Å; F413-M415 PolarHBondContact O-N 3.3Å; F413-L416 PolarHBondContact O-N 2.95Å; F413-T417 PolarHBondContact O-N 3.28Å; F413-T417 PolarHBondContact O-OG1 3.1Å; F413-T417 VanDerWaalsContact O-OG1 3.11Å; F413-R449 HydrophobicContact CE2-CB 4.02Å; F413-R449 WeakPolarHBondContact CE2-O 3.43Å; F413-L450 HydrophobicContact CZ-CD2 4.43Å; F413-L453 HydrophobicContact CB-CD1 3.96Å; F413-L453 HydrophobicContact CD1-CD2 3.89Å; F413-L453 HydrophobicContact CD2-CB 3.74Å; F413-L453 HydrophobicContact CD2-CD1 4.34Å; F413-L453 HydrophobicContact CD2-CD2 4.04Å; F413-L453 HydrophobicContact CD2-CG 4.25Å; F413-L453 HydrophobicContact CE1-CD2 3.85Å; F413-L453 HydrophobicContact CE2-CB 3.9Å; F413-L453 HydrophobicContact CE2-CD2 4Å; F413-L453 HydrophobicContact CE2-CG 4.45Å; F413-L453 HydrophobicContact CG-CB 4.32Å; F413-L453 HydrophobicContact CG-CD1 4.07Å; F413-L453 HydrophobicContact CG-CD2 3.97Å; F413-L453 HydrophobicContact CG-CG 4.34Å; F413-L453 HydrophobicContact CZ-CD2 3.91Å |
| 414 | N | 91.5 | Very high | 90.1 | Very high | 46.5 Ų | 46.5 | 45.3 Ų | 45.3 | 25% | 0.249 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 173.6 | -74 | 17.8 | 0 | 0 | 0 | 111.6 | K410 N411 L416 T417 H418 | K410-N414 PolarHBondContact O-N 2.88Å; K410-N414 PolarHBondContact O-OD1 3.09Å; N411-N414 PolarHBondContact O-N 3.24Å; N414-L416 VanDerWaalsContact C-N 3.34Å; N414-L416 PolarHBondContact O-N 3.05Å; N414-T417 CarbonylContact O-C 3.56Å; N414-T417 WeakPolarHBondContact O-CA 3.25Å; N414-T417 WeakPolarHBondContact O-CB 3.41Å; N414-T417 PolarHBondContact O-N 2.98Å; N414-T417 VanDerWaalsContact O-N 3.09Å; N414-H418 PolarHBondContact O-CD2 3.22Å; N414-H418 VanDerWaalsContact O-CG 3.29Å; N414-H418 PolarHBondContact O-N 3.15Å |
| 415 | M | 93.6 | Very high | 89.9 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.4 | -45.3 | 177.1 | -173.6 | -172 | 73.1 | 0 | 0 | 111.7 | V373 E377 I380 I397 N411 I412 F413 T417 H418 L419 | V373-M415 HydrophobicContact CG1-CB 3.98Å; V373-M415 HydrophobicContact CG1-CG 4.17Å; V373-M415 HydrophobicContact CG1-SD 3.74Å; E377-M415 HydrophobicContact CB-CG 3.88Å; E377-M415 HydrophobicContact CB-SD 4.43Å; E377-M415 HydrophobicContact CG-CG 3.8Å; I380-M415 HydrophobicContact CD1-CE 3.86Å; I380-M415 HydrophobicContact CD1-SD 3.83Å; I397-M415 HydrophobicContact CG2-CE 3.76Å; N411-M415 VanDerWaalsContact O-CB 3.32Å; N411-M415 WeakPolarHBondContact O-CB 3.28Å; N411-M415 PolarHBondContact O-N 3.3Å; I412-M415 PolarHBondContact O-N 3.29Å; F413-M415 PolarHBondContact O-N 3.3Å; M415-T417 VanDerWaalsContact C-N 3.33Å; M415-T417 PolarHBondContact O-N 3.43Å; M415-H418 PolarHBondContact O-N 3.27Å; M415-L419 HydrophobicContact CG-CD1 3.87Å; M415-L419 HydrophobicContact CG-CG 4.48Å; M415-L419 WeakPolarHBondContact O-CB 3.38Å; M415-L419 VanDerWaalsContact O-CG 3.23Å; M415-L419 WeakPolarHBondContact O-CG 3.44Å; M415-L419 PolarHBondContact O-N 3.07Å |
| 416 | L | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 174.4 | -76.7 | 170.6 | 0 | 0 | 0 | 112.4 | I397 W398 I412 F413 N414 L419 A420 F423 L431 | I397-L416 HydrophobicContact CG2-CD1 4.36Å; I397-L416 HydrophobicContact CG2-CD2 3.78Å; I397-L416 HydrophobicContact CG2-CG 4.12Å; W398-L416 HydrophobicContact CE3-CD1 3.95Å; W398-L416 HydrophobicContact CZ3-CD1 4.21Å; I412-L416 HydrophobicContact CG2-CD1 4.11Å; I412-L416 WeakPolarHBondContact O-CB 3.43Å; I412-L416 WeakPolarHBondContact O-CG 3.4Å; I412-L416 PolarHBondContact O-N 3.01Å; F413-L416 PolarHBondContact O-N 2.95Å; N414-L416 VanDerWaalsContact C-N 3.34Å; N414-L416 PolarHBondContact O-N 3.05Å; L416-L419 PolarHBondContact O-N 3.02Å; L416-A420 VanDerWaalsContact O-CB 3.31Å; L416-A420 WeakPolarHBondContact O-CB 3.4Å; L416-A420 PolarHBondContact O-N 3.08Å; L416-A420 VanDerWaalsContact O-N 3.11Å; L416-F423 HydrophobicContact CD2-CE2 4.25Å; L416-F423 HydrophobicContact CD2-CZ 4.21Å; L416-L431 HydrophobicContact CD1-CD1 4.37Å; L416-L431 HydrophobicContact CD2-CD1 4.08Å; L416-L431 HydrophobicContact CD2-CD2 4.27Å |
| 417 | T | 89.2 | Confident | 90 | Very high | 8.5 Ų | 8.5 | 40.4 Ų | 40.4 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 174 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | F413 N414 M415 A420 M456 Q460 | F413-T417 PolarHBondContact O-N 3.28Å; F413-T417 PolarHBondContact O-OG1 3.1Å; F413-T417 VanDerWaalsContact O-OG1 3.11Å; N414-T417 CarbonylContact O-C 3.56Å; N414-T417 WeakPolarHBondContact O-CA 3.25Å; N414-T417 WeakPolarHBondContact O-CB 3.41Å; N414-T417 PolarHBondContact O-N 2.98Å; N414-T417 VanDerWaalsContact O-N 3.09Å; M415-T417 VanDerWaalsContact C-N 3.33Å; M415-T417 PolarHBondContact O-N 3.43Å; T417-A420 VanDerWaalsContact O-CB 3.26Å; T417-A420 WeakPolarHBondContact O-CB 3.41Å; T417-A420 PolarHBondContact O-N 3.4Å; T417-M456 HydrophobicContact CG2-CB 4.05Å; T417-Q460 HydrophobicContact CG2-CG 3.76Å |
| 418 | H | 89.5 | Confident | 89.9 | Confident | 97 Ų | 97 | 37.7 Ų | 37.7 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -70.1 | -38.1 | 176.9 | -58.9 | 163 | 0 | 0 | 0 | 112.9 | E377 N414 M415 A420 | E377-H418 IonicContact OE1-ND1 2.68Å; E377-H418 IonicContact OE2-CE1 3.17Å; E377-H418 IonicContact OE2-CG 3.87Å; E377-H418 IonicContact OE2-ND1 3.69Å; E377-H418 PolarHBondContact OE2-ND1 3.31Å; N414-H418 PolarHBondContact O-CD2 3.22Å; N414-H418 VanDerWaalsContact O-CG 3.29Å; N414-H418 PolarHBondContact O-N 3.15Å; M415-H418 PolarHBondContact O-N 3.27Å; H418-A420 VanDerWaalsContact C-N 3.33Å |
| 419 | L | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78.4 | -17.8 | -179.6 | -66.2 | 170.3 | 0 | 0 | 0 | 113.3 | E377 I380 R381 I384 M415 L416 L421 E422 F423 | E377-L419 HydrophobicContact CG-CD1 4.22Å; E377-L419 HydrophobicContact CG-CD2 3.76Å; E377-L419 HydrophobicContact CG-CG 3.85Å; I380-L419 HydrophobicContact CB-CD1 4.04Å; I380-L419 HydrophobicContact CD1-CD1 4.28Å; I380-L419 HydrophobicContact CG2-CD1 3.58Å; I380-L419 HydrophobicContact CG2-CD2 4.25Å; R381-L419 HydrophobicContact CB-CD2 4.09Å; I384-L419 HydrophobicContact CD1-CB 4.25Å; I384-L419 HydrophobicContact CD1-CD2 3.83Å; M415-L419 HydrophobicContact CG-CD1 3.87Å; M415-L419 HydrophobicContact CG-CG 4.48Å; M415-L419 WeakPolarHBondContact O-CB 3.38Å; M415-L419 VanDerWaalsContact O-CG 3.23Å; M415-L419 WeakPolarHBondContact O-CG 3.44Å; M415-L419 PolarHBondContact O-N 3.07Å; L416-L419 PolarHBondContact O-N 3.02Å; L419-L421 VanDerWaalsContact C-N 3.3Å; L419-L421 PolarHBondContact O-N 3.47Å; L419-E422 PolarHBondContact O-N 3.29Å; L419-F423 HydrophobicContact CB-CE1 4.22Å; L419-F423 HydrophobicContact CB-CE2 4.12Å; L419-F423 HydrophobicContact CB-CZ 3.76Å; L419-F423 HydrophobicContact CD1-CZ 4.39Å; L419-F423 WeakPolarHBondContact O-CD2 3.46Å; L419-F423 PolarHBondContact O-N 3.04Å |
| 420 | A | 87.2 | Confident | 89.7 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -54.5 | -38.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L416 T417 H418 E422 F423 L457 M466 | L416-A420 VanDerWaalsContact O-CB 3.31Å; L416-A420 WeakPolarHBondContact O-CB 3.4Å; L416-A420 PolarHBondContact O-N 3.08Å; L416-A420 VanDerWaalsContact O-N 3.11Å; T417-A420 VanDerWaalsContact O-CB 3.26Å; T417-A420 WeakPolarHBondContact O-CB 3.41Å; T417-A420 PolarHBondContact O-N 3.4Å; H418-A420 VanDerWaalsContact C-N 3.33Å; A420-E422 VanDerWaalsContact C-N 3.28Å; A420-E422 PolarHBondContact O-N 3.11Å; A420-F423 HydrophobicContact CB-CD2 4.34Å; A420-F423 PolarHBondContact O-N 3.48Å; A420-L457 HydrophobicContact CB-CD2 3.36Å; A420-M466 HydrophobicContact CB-SD 4.37Å; A420-M466 WeakPolarHBondContact O-CE 3.38Å |
| 421 | L | 84 | Confident | 89.7 | Confident | 87 Ų | 87 | 34.6 Ų | 34.6 | 46% | 0.455 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -71.7 | -15.4 | 179.5 | -65 | 176.8 | 0 | 0 | 0 | 113.7 | L419 Q460 T462 | L419-L421 VanDerWaalsContact C-N 3.3Å; L419-L421 PolarHBondContact O-N 3.47Å; L421-Q460 HydrophobicContact CD1-CB 4.33Å; L421-Q460 HydrophobicContact CD2-CB 4.1Å; L421-Q460 HydrophobicContact CG-CB 4.4Å; L421-T462 HydrophobicContact CD2-CG2 4.4Å |
| 422 | E | 87.6 | Confident | 89.5 | Confident | 56.5 Ų | 56.5 | 34.8 Ų | 34.8 | 26% | 0.264 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -99 | -13.5 | 176.7 | -56.5 | -164.1 | -135.5 | 0 | 0 | 112.3 | R381 I384 R385 L419 A420 | R381-E422 WeakPolarHBondContact CD-OE1 3.46Å; R381-E422 IonicContact CZ-OE1 2.83Å; R381-E422 IonicContact NE-OE1 3.36Å; R381-E422 PolarHBondContact NE-OE1 2.74Å; R381-E422 IonicContact NH2-OE1 2.8Å; I384-E422 HydrophobicContact CD1-CB 4.35Å; I384-E422 HydrophobicContact CG2-CB 3.93Å; I384-E422 WeakPolarHBondContact CG2-O 3.18Å; R385-E422 IonicContact CZ-OE1 3.16Å; R385-E422 IonicContact CZ-OE2 2.74Å; R385-E422 VanDerWaalsContact CZ-OE2 3.25Å; R385-E422 IonicContact NE-OE2 3.9Å; R385-E422 PolarHBondContact NE-OE2 3.03Å; R385-E422 VanDerWaalsContact NH2-CD 3.31Å; R385-E422 IonicContact NH2-OE1 3.85Å; R385-E422 PolarHBondContact NH2-OE1 3.16Å; R385-E422 IonicContact NH2-OE2 3.7Å; R385-E422 PolarHBondContact NH2-OE2 3.46Å; L419-E422 PolarHBondContact O-N 3.29Å; A420-E422 VanDerWaalsContact C-N 3.28Å; A420-E422 PolarHBondContact O-N 3.11Å |
| 423 | F | 89.1 | Confident | 89.3 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | trans | -70.5 | 140.8 | -179.2 | -69.9 | -38.7 | 0 | 0 | 0 | 113.5 | I384 L389 L394 L416 L419 A420 Q427 L428 L431 | I384-F423 HydrophobicContact CD1-CD1 3.71Å; I384-F423 HydrophobicContact CD1-CE1 3.53Å; I384-F423 HydrophobicContact CG1-CD1 4.18Å; I384-F423 HydrophobicContact CG1-CE1 4.14Å; L389-F423 HydrophobicContact CD2-CD1 4.34Å; L389-F423 HydrophobicContact CD2-CE1 3.69Å; L394-F423 HydrophobicContact CD2-CE1 3.9Å; L394-F423 HydrophobicContact CD2-CE2 4.2Å; L394-F423 HydrophobicContact CD2-CZ 3.63Å; L416-F423 HydrophobicContact CD2-CE2 4.25Å; L416-F423 HydrophobicContact CD2-CZ 4.21Å; L419-F423 HydrophobicContact CB-CE1 4.22Å; L419-F423 HydrophobicContact CB-CE2 4.12Å; L419-F423 HydrophobicContact CB-CZ 3.76Å; L419-F423 HydrophobicContact CD1-CZ 4.39Å; L419-F423 WeakPolarHBondContact O-CD2 3.46Å; L419-F423 PolarHBondContact O-N 3.04Å; A420-F423 HydrophobicContact CB-CD2 4.34Å; A420-F423 PolarHBondContact O-N 3.48Å; F423-Q427 HydrophobicContact CB-CB 4.18Å; F423-Q427 HydrophobicContact CD1-CB 4.29Å; F423-Q427 HydrophobicContact CG-CB 4.42Å; F423-L428 HydrophobicContact CB-CD1 4.48Å; F423-L428 HydrophobicContact CD2-CD1 4.48Å; F423-L431 HydrophobicContact CD2-CD2 4.43Å; F423-L431 HydrophobicContact CE2-CD2 4.03Å | ||
| 424 | S | 87.3 | Confident | 89.2 | Confident | 51.5 Ų | 51.5 | 39.2 Ų | 39.2 | 36% | 0.36 | 20% | 0.201 | S | C | . | . | trans | -66.8 | 155.6 | 167.4 | 68.6 | 0 | 0 | 0 | 0 | 112 | N426 Q427 L428 | S424-N426 PolarHBondContact O-N 2.89Å; S424-N426 VanDerWaalsContact O-N 3.1Å; S424-Q427 WeakPolarHBondContact O-CB 3.46Å; S424-Q427 PolarHBondContact O-N 3.22Å; S424-Q427 VanDerWaalsContact O-N 3.09Å; S424-Q427 VanDerWaalsContact OG-CD 3.27Å; S424-Q427 WeakPolarHBondContact OG-CG 3.43Å; S424-Q427 PolarHBondContact OG-N 3.08Å; S424-Q427 PolarHBondContact OG-OE1 3.12Å; S424-L428 PolarHBondContact O-N 3.19Å | ||
| 425 | M | 84.9 | Confident | 89.2 | Confident | 76 Ų | 76 | 37 Ų | 37 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.2 | -29.4 | 178.7 | -121.1 | -4.7 | 114.8 | 0 | 0 | 113.5 | L428 N429 M465 K469 | M425-L428 HydrophobicContact SD-CD2 4.25Å; M425-N429 VanDerWaalsContact O-CB 3.31Å; M425-N429 WeakPolarHBondContact O-CB 3.41Å; M425-N429 PolarHBondContact O-N 3.26Å; M425-N429 PolarHBondContact O-ND2 3.31Å; M425-N429 VanDerWaalsContact O-ND2 3.09Å; M425-M465 HydrophobicContact CE-CB 3.99Å; M425-M465 HydrophobicContact CE-CE 4.39Å; M425-M465 HydrophobicContact CE-CG 4.19Å; M425-M465 HydrophobicContact CE-SD 4.13Å; M425-M465 HydrophobicContact SD-CB 4.37Å; M425-K469 PolarHBondContact SD-NZ 2.76Å |
| 426 | N | 87.9 | Confident | 89 | Confident | 119 Ų | 119 | 41.1 Ų | 41.1 | 64% | 0.636 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -73 | -45.8 | 176.7 | -70.9 | -11.9 | 0 | 0 | 0 | 112.1 | S424 L428 N429 H430 | S424-N426 PolarHBondContact O-N 2.89Å; S424-N426 VanDerWaalsContact O-N 3.1Å; N426-L428 VanDerWaalsContact C-N 3.31Å; N426-L428 PolarHBondContact O-N 3.07Å; N426-N429 PolarHBondContact O-N 3.18Å; N426-H430 PolarHBondContact O-N 2.98Å |
| 427 | Q | 90.3 | Very high | 88.8 | Confident | 14.5 Ų | 14.5 | 46 Ų | 46 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 173.3 | -74.8 | 163 | -35.2 | 0 | 0 | 111 | L389 L391 L394 F423 S424 H430 L431 | L389-Q427 PolarHBondContact O-NE2 3.02Å; L391-Q427 HydrophobicContact CD2-CG 4.08Å; L394-Q427 HydrophobicContact CD1-CB 3.61Å; L394-Q427 HydrophobicContact CD1-CG 3.77Å; F423-Q427 HydrophobicContact CB-CB 4.18Å; F423-Q427 HydrophobicContact CD1-CB 4.29Å; F423-Q427 HydrophobicContact CG-CB 4.42Å; S424-Q427 WeakPolarHBondContact O-CB 3.46Å; S424-Q427 PolarHBondContact O-N 3.22Å; S424-Q427 VanDerWaalsContact O-N 3.09Å; S424-Q427 VanDerWaalsContact OG-CD 3.27Å; S424-Q427 WeakPolarHBondContact OG-CG 3.43Å; S424-Q427 PolarHBondContact OG-N 3.08Å; S424-Q427 PolarHBondContact OG-OE1 3.12Å; Q427-H430 WeakPolarHBondContact O-CB 3.46Å; Q427-H430 PolarHBondContact O-N 3.02Å; Q427-L431 PolarHBondContact O-N 3.31Å |
| 428 | L | 87.9 | Confident | 88.7 | Confident | 5.5 Ų | 5.5 | 46.9 Ų | 46.9 | 3% | 0.029 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 175.8 | -164.8 | 73 | 0 | 0 | 0 | 112.4 | F423 S424 M425 N426 H430 L431 F432 M466 | F423-L428 HydrophobicContact CB-CD1 4.48Å; F423-L428 HydrophobicContact CD2-CD1 4.48Å; S424-L428 PolarHBondContact O-N 3.19Å; M425-L428 HydrophobicContact SD-CD2 4.25Å; N426-L428 VanDerWaalsContact C-N 3.31Å; N426-L428 PolarHBondContact O-N 3.07Å; L428-H430 VanDerWaalsContact C-N 3.28Å; L428-H430 PolarHBondContact O-N 3.13Å; L428-L431 HydrophobicContact CD1-CD2 4.29Å; L428-L431 WeakPolarHBondContact O-CB 3.39Å; L428-L431 PolarHBondContact O-N 3.2Å; L428-F432 HydrophobicContact CD1-CD2 4.19Å; L428-F432 HydrophobicContact CD1-CE2 3.91Å; L428-F432 HydrophobicContact CD2-CE2 4.37Å; L428-F432 HydrophobicContact CG-CD2 4.17Å; L428-F432 HydrophobicContact CG-CE2 4.03Å; L428-F432 WeakPolarHBondContact O-CD2 3.43Å; L428-F432 PolarHBondContact O-N 3.13Å; L428-M466 HydrophobicContact CD1-CE 3.93Å; L428-M466 HydrophobicContact CD1-CG 4.33Å; L428-M466 HydrophobicContact CD1-SD 3.77Å; L428-M466 HydrophobicContact CD2-CB 4.22Å; L428-M466 HydrophobicContact CD2-CE 4.36Å; L428-M466 HydrophobicContact CD2-CG 3.81Å; L428-M466 HydrophobicContact CD2-SD 4.07Å; L428-M466 HydrophobicContact CG-CE 4.16Å; L428-M466 HydrophobicContact CG-SD 4.35Å |
| 429 | N | 88.1 | Confident | 88.6 | Confident | 67 Ų | 67 | 43 Ų | 43 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 174.7 | -75.9 | -33.1 | 0 | 0 | 0 | 112 | M425 N426 F432 H433 K469 | M425-N429 VanDerWaalsContact O-CB 3.31Å; M425-N429 WeakPolarHBondContact O-CB 3.41Å; M425-N429 PolarHBondContact O-N 3.26Å; M425-N429 PolarHBondContact O-ND2 3.31Å; M425-N429 VanDerWaalsContact O-ND2 3.09Å; N426-N429 PolarHBondContact O-N 3.18Å; N429-F432 PolarHBondContact O-N 3.22Å; N429-H433 PolarHBondContact O-N 3.26Å; N429-K469 WeakPolarHBondContact OD1-CE 3.38Å; N429-K469 PolarHBondContact OD1-NZ 3.12Å |
| 430 | H | 91.2 | Very high | 88.3 | Confident | 40.5 Ų | 40.5 | 51.2 Ų | 51.2 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 175.5 | -161.5 | -9.1 | 0 | 0 | 0 | 111.4 | L391 D395 N426 Q427 L428 F432 H433 C434 | L391-H430 HydrophobicContact CD1-CB 4.45Å; L391-H430 HydrophobicContact CD2-CB 3.95Å; D395-H430 IonicContact OD1-CD2 3.2Å; D395-H430 IonicContact OD1-CE1 3.54Å; D395-H430 IonicContact OD1-NE2 3.6Å; D395-H430 PolarHBondContact OD1-NE2 3.29Å; D395-H430 IonicContact OD2-CE1 2.78Å; D395-H430 PolarHBondContact OD2-CE1 2.99Å; D395-H430 IonicContact OD2-NE2 2.7Å; D395-H430 PolarHBondContact OD2-NE2 3.23Å; N426-H430 PolarHBondContact O-N 2.98Å; Q427-H430 WeakPolarHBondContact O-CB 3.46Å; Q427-H430 PolarHBondContact O-N 3.02Å; L428-H430 VanDerWaalsContact C-N 3.28Å; L428-H430 PolarHBondContact O-N 3.13Å; H430-F432 VanDerWaalsContact C-N 3.32Å; H430-F432 PolarHBondContact O-N 3.31Å; H430-H433 CarbonylContact O-C 3.46Å; H430-H433 WeakPolarHBondContact O-CA 3.45Å; H430-H433 VanDerWaalsContact O-CB 3.28Å; H430-H433 WeakPolarHBondContact O-CB 3.37Å; H430-H433 PolarHBondContact O-N 3.42Å; H430-C434 PolarHBondContact ND1-SG 3.39Å; H430-C434 PolarHBondContact O-N 3.12Å; H430-C434 PolarHBondContact O-SG 3.08Å |
| 431 | L | 90.5 | Very high | 88.2 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.6 | -44.9 | 175 | -172.5 | 75.4 | 0 | 0 | 0 | 112 | L416 F423 Q427 L428 H433 C434 F435 L457 | L416-L431 HydrophobicContact CD1-CD1 4.37Å; L416-L431 HydrophobicContact CD2-CD1 4.08Å; L416-L431 HydrophobicContact CD2-CD2 4.27Å; F423-L431 HydrophobicContact CD2-CD2 4.43Å; F423-L431 HydrophobicContact CE2-CD2 4.03Å; Q427-L431 PolarHBondContact O-N 3.31Å; L428-L431 HydrophobicContact CD1-CD2 4.29Å; L428-L431 WeakPolarHBondContact O-CB 3.39Å; L428-L431 PolarHBondContact O-N 3.2Å; L431-H433 VanDerWaalsContact C-N 3.33Å; L431-H433 PolarHBondContact O-N 3.27Å; L431-C434 WeakPolarHBondContact O-CB 3.48Å; L431-C434 PolarHBondContact O-N 3.41Å; L431-F435 HydrophobicContact CD1-CE1 3.9Å; L431-F435 HydrophobicContact CD1-CZ 3.93Å; L431-F435 HydrophobicContact CD2-CE1 4.34Å; L431-F435 HydrophobicContact CD2-CE2 4.12Å; L431-F435 HydrophobicContact CD2-CZ 3.7Å; L431-F435 HydrophobicContact CG-CE1 3.84Å; L431-F435 HydrophobicContact CG-CE2 3.95Å; L431-F435 HydrophobicContact CG-CZ 3.46Å; L431-F435 VanDerWaalsContact CG-CZ 3.46Å; L431-F435 VanDerWaalsContact O-CD1 3.31Å; L431-F435 WeakPolarHBondContact O-CD1 3.39Å; L431-F435 VanDerWaalsContact O-CG 3.27Å; L431-F435 WeakPolarHBondContact O-CG 3.35Å; L431-F435 PolarHBondContact O-N 3.16Å; L431-L457 HydrophobicContact CD2-CD1 4.3Å |
| 432 | F | 89.2 | Confident | 88.2 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -33.4 | 173.5 | -85 | -74.9 | 0 | 0 | 0 | 113.5 | L428 N429 H430 F435 K436 M466 K469 T470 L473 | L428-F432 HydrophobicContact CD1-CD2 4.19Å; L428-F432 HydrophobicContact CD1-CE2 3.91Å; L428-F432 HydrophobicContact CD2-CE2 4.37Å; L428-F432 HydrophobicContact CG-CD2 4.17Å; L428-F432 HydrophobicContact CG-CE2 4.03Å; L428-F432 WeakPolarHBondContact O-CD2 3.43Å; L428-F432 PolarHBondContact O-N 3.13Å; N429-F432 PolarHBondContact O-N 3.22Å; H430-F432 VanDerWaalsContact C-N 3.32Å; H430-F432 PolarHBondContact O-N 3.31Å; F432-F435 AromaticContact CD1-CD2 3.98Å; F432-F435 HydrophobicContact CD1-CD2 4.16Å; F432-F435 HydrophobicContact CD1-CE2 4.41Å; F432-F435 HydrophobicContact CG-CD2 4.34Å; F432-F435 PolarHBondContact O-N 3Å; F432-K436 PolarHBondContact O-N 3.2Å; F432-M466 HydrophobicContact CE1-CE 4.04Å; F432-M466 HydrophobicContact CE2-CE 3.93Å; F432-M466 HydrophobicContact CE2-CG 3.92Å; F432-M466 HydrophobicContact CZ-CE 3.48Å; F432-M466 VanDerWaalsContact CZ-CE 3.48Å; F432-M466 HydrophobicContact CZ-CG 3.6Å; F432-M466 HydrophobicContact CZ-SD 4.45Å; F432-K469 HydrophobicContact CD1-CB 4.07Å; F432-K469 HydrophobicContact CD2-CD 4.47Å; F432-K469 HydrophobicContact CE1-CB 3.67Å; F432-K469 HydrophobicContact CE2-CB 4.17Å; F432-K469 HydrophobicContact CE2-CD 4.17Å; F432-K469 HydrophobicContact CZ-CB 3.95Å; F432-T470 WeakPolarHBondContact CZ-OG1 3.42Å; F432-L473 HydrophobicContact CD1-CD2 3.78Å; F432-L473 HydrophobicContact CE1-CD2 4.01Å |
| 433 | H | 90.1 | Very high | 88.1 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 172.1 | 176.8 | -113.7 | 0 | 0 | 0 | 111.2 | N429 H430 L431 F435 K436 Q437 | N429-H433 PolarHBondContact O-N 3.26Å; H430-H433 CarbonylContact O-C 3.46Å; H430-H433 WeakPolarHBondContact O-CA 3.45Å; H430-H433 VanDerWaalsContact O-CB 3.28Å; H430-H433 WeakPolarHBondContact O-CB 3.37Å; H430-H433 PolarHBondContact O-N 3.42Å; L431-H433 VanDerWaalsContact C-N 3.33Å; L431-H433 PolarHBondContact O-N 3.27Å; H433-F435 VanDerWaalsContact C-N 3.3Å; H433-F435 PolarHBondContact O-N 3.12Å; H433-K436 CarbonylContact O-C 3.43Å; H433-K436 PolarHBondContact O-N 3.14Å; H433-K436 VanDerWaalsContact O-N 3.1Å; H433-Q437 PolarHBondContact CE1-NE2 2.97Å; H433-Q437 PolarHBondContact CE1-OE1 2.91Å; H433-Q437 PolarHBondContact NE2-NE2 3.48Å; H433-Q437 VanDerWaalsContact NE2-NE2 3.11Å; H433-Q437 WeakPolarHBondContact O-CB 3.47Å; H433-Q437 WeakPolarHBondContact O-CG 3.47Å; H433-Q437 PolarHBondContact O-N 3.2Å |
| 434 | C | 90.3 | Very high | 87.9 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | D395 W398 H430 L431 Q437 S438 | D395-C434 PolarHBondContact OD1-SG 3.21Å; W398-C434 HydrophobicContact CD2-CB 4.43Å; W398-C434 HydrophobicContact CG-CB 3.98Å; H430-C434 PolarHBondContact ND1-SG 3.39Å; H430-C434 PolarHBondContact O-N 3.12Å; H430-C434 PolarHBondContact O-SG 3.08Å; L431-C434 WeakPolarHBondContact O-CB 3.48Å; L431-C434 PolarHBondContact O-N 3.41Å; C434-Q437 PolarHBondContact O-N 3.27Å; C434-S438 VanDerWaalsContact O-CB 3.29Å; C434-S438 WeakPolarHBondContact O-CB 3.4Å; C434-S438 PolarHBondContact O-N 3.22Å; C434-S438 PolarHBondContact O-OG 2.86Å |
| 435 | F | 90.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -49 | 168.5 | -59.1 | -18.7 | 0 | 0 | 0 | 112.1 | W398 L431 F432 H433 Q437 S438 W439 L450 L453 I454 L457 L473 W477 | W398-F435 HydrophobicContact CE3-CE1 4.09Å; W398-F435 AromaticContact CH2-CD1 3.79Å; W398-F435 HydrophobicContact CH2-CD1 3.79Å; W398-F435 AromaticContact CH2-CE1 3.82Å; W398-F435 HydrophobicContact CH2-CE1 3.82Å; W398-F435 HydrophobicContact CZ2-CD1 4Å; W398-F435 HydrophobicContact CZ2-CE1 4.39Å; W398-F435 HydrophobicContact CZ3-CD1 4.09Å; W398-F435 AromaticContact CZ3-CE1 3.64Å; W398-F435 HydrophobicContact CZ3-CE1 3.64Å; L431-F435 HydrophobicContact CD1-CE1 3.9Å; L431-F435 HydrophobicContact CD1-CZ 3.93Å; L431-F435 HydrophobicContact CD2-CE1 4.34Å; L431-F435 HydrophobicContact CD2-CE2 4.12Å; L431-F435 HydrophobicContact CD2-CZ 3.7Å; L431-F435 HydrophobicContact CG-CE1 3.84Å; L431-F435 HydrophobicContact CG-CE2 3.95Å; L431-F435 HydrophobicContact CG-CZ 3.46Å; L431-F435 VanDerWaalsContact CG-CZ 3.46Å; L431-F435 VanDerWaalsContact O-CD1 3.31Å; L431-F435 WeakPolarHBondContact O-CD1 3.39Å; L431-F435 VanDerWaalsContact O-CG 3.27Å; L431-F435 WeakPolarHBondContact O-CG 3.35Å; L431-F435 PolarHBondContact O-N 3.16Å; F432-F435 AromaticContact CD1-CD2 3.98Å; F432-F435 HydrophobicContact CD1-CD2 4.16Å; F432-F435 HydrophobicContact CD1-CE2 4.41Å; F432-F435 HydrophobicContact CG-CD2 4.34Å; F432-F435 PolarHBondContact O-N 3Å; H433-F435 VanDerWaalsContact C-N 3.3Å; H433-F435 PolarHBondContact O-N 3.12Å; F435-Q437 VanDerWaalsContact C-N 3.28Å; F435-Q437 PolarHBondContact O-N 3.16Å; F435-S438 WeakPolarHBondContact CA-OG 3.02Å; F435-S438 PolarHBondContact O-N 3.1Å; F435-S438 PolarHBondContact O-OG 3.1Å; F435-W439 WeakPolarHBondContact O-CB 3.46Å; F435-W439 PolarHBondContact O-N 3.41Å; F435-W439 VanDerWaalsContact O-N 3.11Å; F435-L450 HydrophobicContact CB-CD1 4.16Å; F435-L450 HydrophobicContact CD1-CD1 3.74Å; F435-L450 HydrophobicContact CE1-CD1 4.37Å; F435-L450 HydrophobicContact CG-CD1 4.03Å; F435-L453 HydrophobicContact CD1-CD2 4.44Å; F435-L453 HydrophobicContact CE1-CD2 3.62Å; F435-L453 HydrophobicContact CE1-CG 4.46Å; F435-L453 HydrophobicContact CZ-CD2 3.72Å; F435-L453 HydrophobicContact CZ-CG 4.19Å; F435-I454 HydrophobicContact CB-CD1 4.26Å; F435-I454 HydrophobicContact CD2-CD1 3.58Å; F435-I454 HydrophobicContact CD2-CG1 3.59Å; F435-I454 HydrophobicContact CD2-CG2 3.44Å; F435-I454 VanDerWaalsContact CD2-CG2 3.44Å; F435-I454 HydrophobicContact CE2-CD1 4.15Å; F435-I454 HydrophobicContact CE2-CG1 3.62Å; F435-I454 HydrophobicContact CE2-CG2 3.64Å; F435-I454 HydrophobicContact CG-CD1 4.12Å; F435-I454 HydrophobicContact CG-CG1 4.49Å; F435-I454 HydrophobicContact CG-CG2 4.07Å; F435-I454 HydrophobicContact CZ-CG2 4.39Å; F435-L457 HydrophobicContact CE2-CD1 3.59Å; F435-L457 HydrophobicContact CZ-CD1 3.61Å; F435-L473 HydrophobicContact CB-CD2 4.24Å; F435-L473 HydrophobicContact CD2-CD2 4.47Å; F435-W477 HydrophobicContact CB-CH2 4.5Å |
| 436 | K | 89.6 | Confident | 87.8 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 39% | 0.391 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.3 | -31.7 | 176.7 | -76.4 | -163.6 | 179.5 | -161 | 0 | 113 | F432 H433 L473 D476 | F432-K436 PolarHBondContact O-N 3.2Å; H433-K436 CarbonylContact O-C 3.43Å; H433-K436 PolarHBondContact O-N 3.14Å; H433-K436 VanDerWaalsContact O-N 3.1Å; K436-L473 HydrophobicContact CD-CD1 4.07Å; K436-L473 VanDerWaalsContact CE-CD1 3.45Å; K436-L473 HydrophobicContact CG-CD1 3.48Å; K436-L473 VanDerWaalsContact CG-CD1 3.44Å; K436-D476 IonicContact NZ-OD2 2.93Å; K436-D476 PolarHBondContact NZ-OD2 3.35Å |
| 437 | Q | 88.9 | Confident | 87.8 | Confident | 103.5 Ų | 103.5 | 63.5 Ų | 63.5 | 48% | 0.484 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -74.3 | -45.2 | 175 | -124.4 | -178.5 | -2.8 | 0 | 0 | 112.3 | H433 C434 F435 W439 K440 | H433-Q437 PolarHBondContact CE1-NE2 2.97Å; H433-Q437 PolarHBondContact CE1-OE1 2.91Å; H433-Q437 PolarHBondContact NE2-NE2 3.48Å; H433-Q437 VanDerWaalsContact NE2-NE2 3.11Å; H433-Q437 WeakPolarHBondContact O-CB 3.47Å; H433-Q437 WeakPolarHBondContact O-CG 3.47Å; H433-Q437 PolarHBondContact O-N 3.2Å; C434-Q437 PolarHBondContact O-N 3.27Å; F435-Q437 VanDerWaalsContact C-N 3.28Å; F435-Q437 PolarHBondContact O-N 3.16Å; Q437-W439 VanDerWaalsContact C-N 3.32Å; Q437-W439 PolarHBondContact O-N 2.76Å; Q437-K440 PolarHBondContact O-N 2.81Å |
| 438 | S | 87.9 | Confident | 87.7 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 19% | 0.189 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | -179.6 | -2.5 | 0 | 0 | 0 | 0 | 112.2 | W398 C434 F435 K440 K441 A442 L450 | W398-S438 WeakPolarHBondContact CZ2-OG 3.42Å; C434-S438 VanDerWaalsContact O-CB 3.29Å; C434-S438 WeakPolarHBondContact O-CB 3.4Å; C434-S438 PolarHBondContact O-N 3.22Å; C434-S438 PolarHBondContact O-OG 2.86Å; F435-S438 WeakPolarHBondContact CA-OG 3.02Å; F435-S438 PolarHBondContact O-N 3.1Å; F435-S438 PolarHBondContact O-OG 3.1Å; S438-K440 PolarHBondContact O-N 3.22Å; S438-K440 VanDerWaalsContact O-N 3.09Å; S438-K441 CarbonylContact O-C 3.58Å; S438-K441 PolarHBondContact O-N 2.99Å; S438-A442 VanDerWaalsContact O-CB 3.3Å; S438-A442 WeakPolarHBondContact O-CB 3.28Å; S438-A442 PolarHBondContact O-N 3.05Å; S438-L450 WeakPolarHBondContact OG-CD2 3.36Å |
| 439 | W | 87.4 | Confident | 87.6 | Confident | 15.5 Ų | 15.5 | 67.8 Ų | 67.8 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -50.4 | -39.6 | 176.3 | -174 | -101.8 | 0 | 0 | 0 | 113.8 | F435 Q437 K441 A442 R447 L450 I451 W477 L481 I487 | F435-W439 WeakPolarHBondContact O-CB 3.46Å; F435-W439 PolarHBondContact O-N 3.41Å; F435-W439 VanDerWaalsContact O-N 3.11Å; Q437-W439 VanDerWaalsContact C-N 3.32Å; Q437-W439 PolarHBondContact O-N 2.76Å; W439-K441 VanDerWaalsContact C-N 3.28Å; W439-K441 PolarHBondContact O-N 3.13Å; W439-A442 PolarHBondContact O-N 2.97Å; W439-R447 HydrophobicContact CD2-CG 4.13Å; W439-R447 HydrophobicContact CE3-CB 4.04Å; W439-R447 HydrophobicContact CE3-CG 3.72Å; W439-R447 HydrophobicContact CH2-CB 3.72Å; W439-R447 HydrophobicContact CH2-CG 3.93Å; W439-R447 HydrophobicContact CZ2-CB 4.48Å; W439-R447 HydrophobicContact CZ2-CG 4.3Å; W439-R447 HydrophobicContact CZ3-CB 3.44Å; W439-R447 VanDerWaalsContact CZ3-CB 3.44Å; W439-R447 HydrophobicContact CZ3-CG 3.62Å; W439-R447 PolarHBondContact O-NE 2.77Å; W439-R447 PolarHBondContact O-NH2 2.91Å; W439-L450 HydrophobicContact CB-CD2 4.42Å; W439-L450 HydrophobicContact CE3-CB 4.39Å; W439-L450 HydrophobicContact CE3-CD1 4.12Å; W439-L450 HydrophobicContact CE3-CD2 4.11Å; W439-L450 HydrophobicContact CZ3-CB 4.42Å; W439-I451 HydrophobicContact CH2-CD1 4.05Å; W439-I451 HydrophobicContact CH2-CG1 4.23Å; W439-I451 HydrophobicContact CZ3-CD1 4.32Å; W439-I451 HydrophobicContact CZ3-CG1 4.1Å; W439-W477 HydrophobicContact CB-CZ2 3.83Å; W439-W477 AromaticContact CD1-CD1 3.7Å; W439-W477 AromaticContact CD1-NE1 3.57Å; W439-W477 AromaticContact CD2-CD1 3.74Å; W439-W477 AromaticContact CD2-CD2 3.52Å; W439-W477 HydrophobicContact CD2-CD2 3.52Å; W439-W477 AromaticContact CD2-CE2 3.41Å; W439-W477 VanDerWaalsContact CD2-CE2 3.41Å; W439-W477 AromaticContact CD2-CE3 3.99Å; W439-W477 HydrophobicContact CD2-CE3 4.04Å; W439-W477 AromaticContact CD2-CG 3.82Å; W439-W477 HydrophobicContact CD2-CG 3.82Å; W439-W477 HydrophobicContact CD2-CH2 4.1Å; W439-W477 AromaticContact CD2-CZ2 3.85Å; W439-W477 HydrophobicContact CD2-CZ2 3.85Å; W439-W477 HydrophobicContact CD2-CZ3 4.24Å; W439-W477 AromaticContact CD2-NE1 3.65Å; W439-W477 AromaticContact CE2-CD1 3.68Å; W439-W477 AromaticContact CE2-CD2 3.69Å; W439-W477 AromaticContact CE2-CE2 3.89Å; W439-W477 AromaticContact CE2-CG 3.49Å; W439-W477 VanDerWaalsContact CE2-CG 3.45Å; W439-W477 AromaticContact CE2-NE1 3.94Å; W439-W477 AromaticContact CE3-CD2 3.5Å; W439-W477 HydrophobicContact CE3-CD2 3.5Å; W439-W477 AromaticContact CE3-CE2 3.56Å; W439-W477 VanDerWaalsContact CE3-CE2 3.49Å; W439-W477 AromaticContact CE3-CE3 3.5Å; W439-W477 HydrophobicContact CE3-CE3 3.5Å; W439-W477 VanDerWaalsContact CE3-CE3 3.47Å; W439-W477 HydrophobicContact CE3-CG 4.22Å; W439-W477 AromaticContact CE3-CH2 3.65Å; W439-W477 HydrophobicContact CE3-CH2 3.65Å; W439-W477 VanDerWaalsContact CE3-CH2 3.46Å; W439-W477 AromaticContact CE3-CZ2 3.65Å; W439-W477 HydrophobicContact CE3-CZ2 3.65Å; W439-W477 AromaticContact CE3-CZ3 3.57Å; W439-W477 HydrophobicContact CE3-CZ3 3.57Å; W439-W477 VanDerWaalsContact CE3-CZ3 3.46Å; W439-W477 AromaticContact CG-CD1 3.81Å; W439-W477 HydrophobicContact CG-CD2 4.15Å; W439-W477 AromaticContact CG-CE2 3.58Å; W439-W477 HydrophobicContact CG-CG 4.33Å; W439-W477 AromaticContact CG-CZ2 3.81Å; W439-W477 HydrophobicContact CG-CZ2 3.95Å; W439-W477 AromaticContact CG-NE1 3.43Å; W439-W477 HydrophobicContact CH2-CB 4.06Å; W439-W477 AromaticContact CH2-CD2 3.85Å; W439-W477 HydrophobicContact CH2-CD2 3.85Å; W439-W477 AromaticContact CH2-CE3 3.66Å; W439-W477 HydrophobicContact CH2-CE3 3.66Å; W439-W477 AromaticContact CH2-CG 3.94Å; W439-W477 HydrophobicContact CH2-CG 4.05Å; W439-W477 HydrophobicContact CH2-CZ3 4.17Å; W439-W477 HydrophobicContact CZ2-CB 3.61Å; W439-W477 AromaticContact CZ2-CD2 3.87Å; W439-W477 HydrophobicContact CZ2-CD2 3.87Å; W439-W477 HydrophobicContact CZ2-CE3 4.18Å; W439-W477 AromaticContact CZ2-CG 3.63Å; W439-W477 HydrophobicContact CZ2-CG 3.63Å; W439-W477 AromaticContact CZ3-CD2 3.66Å; W439-W477 HydrophobicContact CZ3-CD2 3.66Å; W439-W477 AromaticContact CZ3-CE3 3.29Å; W439-W477 HydrophobicContact CZ3-CE3 3.29Å; W439-W477 HydrophobicContact CZ3-CG 4.32Å; W439-W477 AromaticContact CZ3-CH2 3.93Å; W439-W477 HydrophobicContact CZ3-CH2 4.12Å; W439-W477 HydrophobicContact CZ3-CZ2 4.43Å; W439-W477 AromaticContact CZ3-CZ3 3.54Å; W439-W477 HydrophobicContact CZ3-CZ3 3.54Å; W439-W477 VanDerWaalsContact CZ3-CZ3 3.4Å; W439-W477 AromaticContact NE1-CD1 3.53Å; W439-W477 AromaticContact NE1-CG 3.8Å; W439-W477 AromaticContact NE1-NE1 3.86Å; W439-L481 HydrophobicContact CH2-CD2 4.48Å; W439-L481 HydrophobicContact CZ2-CD1 3.87Å; W439-L481 HydrophobicContact CZ2-CD2 4.09Å; W439-L481 HydrophobicContact CZ2-CG 4.41Å; W439-I487 HydrophobicContact CH2-CG2 3.69Å; W439-I487 HydrophobicContact CZ2-CG2 4.22Å |
| 440 | K | 84.8 | Confident | 87.7 | Confident | 171.5 Ų | 171.5 | 64.9 Ų | 64.9 | 75% | 0.746 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -29.8 | 179.8 | -62.7 | 179.1 | -177.2 | -179.7 | 0 | 113 | Q437 S438 | Q437-K440 PolarHBondContact O-N 2.81Å; S438-K440 PolarHBondContact O-N 3.22Å; S438-K440 VanDerWaalsContact O-N 3.09Å |
| 441 | K | 84 | Confident | 87.7 | Confident | 185.5 Ų | 185.5 | 63 Ų | 63 | 81% | 0.807 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -12.2 | -179.8 | -63 | -178.5 | -179.9 | 177.8 | 0 | 113.4 | S438 W439 | S438-K441 CarbonylContact O-C 3.58Å; S438-K441 PolarHBondContact O-N 2.99Å; W439-K441 VanDerWaalsContact C-N 3.28Å; W439-K441 PolarHBondContact O-N 3.13Å |
| 442 | A | 85 | Confident | 87.6 | Confident | 11 Ų | 11 | 67.2 Ų | 67.2 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | trans | -72.1 | 137.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S438 W439 Q446 R447 L450 | S438-A442 VanDerWaalsContact O-CB 3.3Å; S438-A442 WeakPolarHBondContact O-CB 3.28Å; S438-A442 PolarHBondContact O-N 3.05Å; W439-A442 PolarHBondContact O-N 2.97Å; A442-Q446 HydrophobicContact CB-CB 3.81Å; A442-R447 HydrophobicContact CB-CG 3.71Å; A442-R447 VanDerWaalsContact O-CZ 3.3Å; A442-R447 PolarHBondContact O-NE 3.24Å; A442-R447 PolarHBondContact O-NH2 2.67Å; A442-L450 HydrophobicContact CB-CD1 4.13Å | ||
| 443 | T | 85 | Confident | 87.7 | Confident | 81.5 Ų | 81.5 | 66.4 Ų | 66.4 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | trans | -69.9 | 167.7 | 166.1 | 61.3 | 0 | 0 | 0 | 0 | 112 | R445 Q446 R447 | T443-R445 PolarHBondContact O-N 3.37Å; T443-Q446 PolarHBondContact O-N 2.92Å; T443-Q446 VanDerWaalsContact O-N 3.13Å; T443-Q446 WeakPolarHBondContact OG1-CG 3.18Å; T443-Q446 PolarHBondContact OG1-OE1 3.33Å; T443-R447 WeakPolarHBondContact O-CG 3.39Å; T443-R447 PolarHBondContact O-N 2.87Å | ||
| 444 | K | 84.5 | Confident | 87.7 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -49 | -53.8 | 177.7 | 175.7 | 169.9 | 179.8 | -178.3 | 0 | 112.5 | Q446 R447 E448 D486 I487 | K444-Q446 VanDerWaalsContact C-N 3.29Å; K444-Q446 PolarHBondContact O-N 3.1Å; K444-R447 WeakPolarHBondContact O-CB 3.3Å; K444-R447 PolarHBondContact O-N 3.11Å; K444-R447 VanDerWaalsContact O-N 3.09Å; K444-E448 WeakPolarHBondContact CE-OE1 3.41Å; K444-E448 VanDerWaalsContact CG-OE1 3.23Å; K444-E448 WeakPolarHBondContact CG-OE1 3.13Å; K444-E448 WeakPolarHBondContact O-CG 3.43Å; K444-E448 PolarHBondContact O-N 2.98Å; K444-D486 IonicContact NZ-OD2 2.99Å; K444-D486 PolarHBondContact NZ-OD2 3.35Å; K444-I487 HydrophobicContact CB-CD1 4.28Å; K444-I487 HydrophobicContact CG-CD1 4.01Å; K444-I487 HydrophobicContact CG-CG1 4.27Å |
| 445 | R | 84.5 | Confident | 87.6 | Confident | 162.5 Ų | 162.5 | 61.6 Ų | 61.6 | 61% | 0.613 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.7 | -28.4 | 179.4 | -115.4 | -177.1 | 172 | 177.5 | -0.7 | 113.9 | E406 T443 E448 R449 | E406-R445 IonicContact OE1-NH2 2.84Å; E406-R445 IonicContact OE2-CZ 2.81Å; E406-R445 IonicContact OE2-NE 3.19Å; E406-R445 PolarHBondContact OE2-NE 3.29Å; E406-R445 IonicContact OE2-NH2 3.75Å; E406-R445 PolarHBondContact OE2-NH2 3.3Å; T443-R445 PolarHBondContact O-N 3.37Å; R445-E448 WeakPolarHBondContact CA-OE2 3.43Å; R445-R449 WeakPolarHBondContact O-CG 3.3Å; R445-R449 PolarHBondContact O-N 2.9Å; R445-R449 VanDerWaalsContact O-N 3.08Å; R445-R449 PolarHBondContact O-NE 3.29Å |
| 446 | Q | 85.6 | Confident | 87.5 | Confident | 70.5 Ų | 70.5 | 64.6 Ų | 64.6 | 33% | 0.329 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -77.6 | -35.7 | 173.7 | -73.9 | 165.9 | -46.4 | 0 | 0 | 111.8 | A442 T443 K444 L450 | A442-Q446 HydrophobicContact CB-CB 3.81Å; T443-Q446 PolarHBondContact O-N 2.92Å; T443-Q446 VanDerWaalsContact O-N 3.13Å; T443-Q446 WeakPolarHBondContact OG1-CG 3.18Å; T443-Q446 PolarHBondContact OG1-OE1 3.33Å; K444-Q446 VanDerWaalsContact C-N 3.29Å; K444-Q446 PolarHBondContact O-N 3.1Å; Q446-L450 VanDerWaalsContact O-CB 3.26Å; Q446-L450 WeakPolarHBondContact O-CB 3.37Å; Q446-L450 WeakPolarHBondContact O-CG 3.14Å; Q446-L450 PolarHBondContact O-N 3.2Å |
| 447 | R | 89 | Confident | 87.4 | Confident | 62.5 Ų | 62.5 | 60.4 Ų | 60.4 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -42 | 174.7 | -71.3 | -177.9 | -171.8 | 171.3 | 5.6 | 112 | W439 A442 T443 K444 L450 I451 I487 | W439-R447 HydrophobicContact CD2-CG 4.13Å; W439-R447 HydrophobicContact CE3-CB 4.04Å; W439-R447 HydrophobicContact CE3-CG 3.72Å; W439-R447 HydrophobicContact CH2-CB 3.72Å; W439-R447 HydrophobicContact CH2-CG 3.93Å; W439-R447 HydrophobicContact CZ2-CB 4.48Å; W439-R447 HydrophobicContact CZ2-CG 4.3Å; W439-R447 HydrophobicContact CZ3-CB 3.44Å; W439-R447 VanDerWaalsContact CZ3-CB 3.44Å; W439-R447 HydrophobicContact CZ3-CG 3.62Å; W439-R447 PolarHBondContact O-NE 2.77Å; W439-R447 PolarHBondContact O-NH2 2.91Å; A442-R447 HydrophobicContact CB-CG 3.71Å; A442-R447 VanDerWaalsContact O-CZ 3.3Å; A442-R447 PolarHBondContact O-NE 3.24Å; A442-R447 PolarHBondContact O-NH2 2.67Å; T443-R447 WeakPolarHBondContact O-CG 3.39Å; T443-R447 PolarHBondContact O-N 2.87Å; K444-R447 WeakPolarHBondContact O-CB 3.3Å; K444-R447 PolarHBondContact O-N 3.11Å; K444-R447 VanDerWaalsContact O-N 3.09Å; R447-L450 PolarHBondContact O-N 3.12Å; R447-I451 WeakPolarHBondContact O-CG1 3.36Å; R447-I451 PolarHBondContact O-N 2.96Å; R447-I487 HydrophobicContact CB-CD1 4.3Å; R447-I487 HydrophobicContact CB-CG2 4.22Å |
| 448 | E | 88 | Confident | 87.2 | Confident | 61.5 Ų | 61.5 | 55.5 Ų | 55.5 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.3 | -54 | 174 | -71.2 | 156.6 | 175.3 | 0 | 0 | 110.9 | K444 R445 L450 I451 D452 | K444-E448 WeakPolarHBondContact CE-OE1 3.41Å; K444-E448 VanDerWaalsContact CG-OE1 3.23Å; K444-E448 WeakPolarHBondContact CG-OE1 3.13Å; K444-E448 WeakPolarHBondContact O-CG 3.43Å; K444-E448 PolarHBondContact O-N 2.98Å; R445-E448 WeakPolarHBondContact CA-OE2 3.43Å; E448-L450 VanDerWaalsContact C-N 3.29Å; E448-L450 PolarHBondContact O-N 3.21Å; E448-I451 WeakPolarHBondContact O-CB 3.4Å; E448-I451 PolarHBondContact O-N 3.14Å; E448-I451 VanDerWaalsContact O-N 3.12Å; E448-D452 PolarHBondContact O-N 3.17Å |
| 449 | R | 86.1 | Confident | 87.1 | Confident | 47.5 Ų | 47.5 | 56.9 Ų | 56.9 | 18% | 0.179 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -32.4 | 176.1 | -67.6 | 179.6 | -137.9 | 168.1 | -4.3 | 114.1 | E406 F413 R445 D452 L453 | E406-R449 VanDerWaalsContact CD-CZ 3.42Å; E406-R449 VanDerWaalsContact CD-NH2 3.32Å; E406-R449 IonicContact OE1-CZ 3.08Å; E406-R449 IonicContact OE1-NE 2.87Å; E406-R449 PolarHBondContact OE1-NE 3.46Å; E406-R449 IonicContact OE1-NH1 2.67Å; E406-R449 PolarHBondContact OE1-NH1 3.01Å; E406-R449 IonicContact OE1-NH2 3.09Å; E406-R449 PolarHBondContact OE1-NH2 3.36Å; E406-R449 IonicContact OE2-CZ 3.59Å; E406-R449 IonicContact OE2-NE 3.55Å; E406-R449 IonicContact OE2-NH1 3.56Å; E406-R449 PolarHBondContact OE2-NH1 3.42Å; E406-R449 IonicContact OE2-NH2 2.74Å; E406-R449 PolarHBondContact OE2-NH2 3.21Å; F413-R449 HydrophobicContact CE2-CB 4.02Å; F413-R449 WeakPolarHBondContact CE2-O 3.43Å; R445-R449 WeakPolarHBondContact O-CG 3.3Å; R445-R449 PolarHBondContact O-N 2.9Å; R445-R449 VanDerWaalsContact O-N 3.08Å; R445-R449 PolarHBondContact O-NE 3.29Å; R449-D452 WeakPolarHBondContact O-CB 3.49Å; R449-D452 PolarHBondContact O-N 3.12Å; R449-L453 WeakPolarHBondContact O-CB 3.23Å; R449-L453 PolarHBondContact O-N 2.94Å |
| 450 | L | 90 | Very high | 86.8 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.5 | -35.7 | 176.8 | -129.9 | 112.4 | 0 | 0 | 0 | 111.5 | W398 F413 F435 S438 W439 A442 Q446 R447 E448 D452 L453 I454 W477 | W398-L450 HydrophobicContact CH2-CD1 4.05Å; W398-L450 HydrophobicContact CZ2-CD1 4.49Å; F413-L450 HydrophobicContact CZ-CD2 4.43Å; F435-L450 HydrophobicContact CB-CD1 4.16Å; F435-L450 HydrophobicContact CD1-CD1 3.74Å; F435-L450 HydrophobicContact CE1-CD1 4.37Å; F435-L450 HydrophobicContact CG-CD1 4.03Å; S438-L450 WeakPolarHBondContact OG-CD2 3.36Å; W439-L450 HydrophobicContact CB-CD2 4.42Å; W439-L450 HydrophobicContact CE3-CB 4.39Å; W439-L450 HydrophobicContact CE3-CD1 4.12Å; W439-L450 HydrophobicContact CE3-CD2 4.11Å; W439-L450 HydrophobicContact CZ3-CB 4.42Å; A442-L450 HydrophobicContact CB-CD1 4.13Å; Q446-L450 VanDerWaalsContact O-CB 3.26Å; Q446-L450 WeakPolarHBondContact O-CB 3.37Å; Q446-L450 WeakPolarHBondContact O-CG 3.14Å; Q446-L450 PolarHBondContact O-N 3.2Å; R447-L450 PolarHBondContact O-N 3.12Å; E448-L450 VanDerWaalsContact C-N 3.29Å; E448-L450 PolarHBondContact O-N 3.21Å; L450-D452 VanDerWaalsContact C-N 3.34Å; L450-L453 HydrophobicContact CD1-CD2 4.33Å; L450-I454 HydrophobicContact CD1-CG2 4.42Å; L450-I454 WeakPolarHBondContact O-CB 3.41Å; L450-I454 WeakPolarHBondContact O-CD1 3.44Å; L450-I454 WeakPolarHBondContact O-CG1 3.4Å; L450-I454 PolarHBondContact O-N 2.96Å; L450-I454 VanDerWaalsContact O-N 3.08Å; L450-W477 HydrophobicContact CB-CH2 4.05Å; L450-W477 HydrophobicContact CB-CZ3 4.18Å; L450-W477 HydrophobicContact CD1-CH2 4.27Å; L450-W477 HydrophobicContact CD2-CH2 3.84Å; L450-W477 HydrophobicContact CD2-CZ2 4.21Å; L450-W477 HydrophobicContact CG-CH2 3.57Å; L450-W477 HydrophobicContact CG-CZ2 4.42Å; L450-W477 HydrophobicContact CG-CZ3 4.07Å |
| 451 | I | 91 | Very high | 86.6 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -47 | 168.4 | -68.9 | 160 | 0 | 0 | 0 | 109.7 | W439 R447 E448 L453 I454 T455 L474 W477 I487 A490 S491 S494 | W439-I451 HydrophobicContact CH2-CD1 4.05Å; W439-I451 HydrophobicContact CH2-CG1 4.23Å; W439-I451 HydrophobicContact CZ3-CD1 4.32Å; W439-I451 HydrophobicContact CZ3-CG1 4.1Å; R447-I451 WeakPolarHBondContact O-CG1 3.36Å; R447-I451 PolarHBondContact O-N 2.96Å; E448-I451 WeakPolarHBondContact O-CB 3.4Å; E448-I451 PolarHBondContact O-N 3.14Å; E448-I451 VanDerWaalsContact O-N 3.12Å; I451-L453 PolarHBondContact O-N 3.16Å; I451-I454 WeakPolarHBondContact O-CG1 3.2Å; I451-I454 PolarHBondContact O-N 2.81Å; I451-T455 VanDerWaalsContact O-CB 3.26Å; I451-T455 WeakPolarHBondContact O-CB 3.38Å; I451-T455 PolarHBondContact O-N 3.23Å; I451-T455 PolarHBondContact O-OG1 3.36Å; I451-L474 HydrophobicContact CB-CD2 4.41Å; I451-L474 HydrophobicContact CG1-CD2 4.22Å; I451-L474 HydrophobicContact CG2-CD2 4.03Å; I451-W477 HydrophobicContact CG1-CE3 4.09Å; I451-W477 HydrophobicContact CG1-CZ3 4.19Å; I451-I487 HydrophobicContact CD1-CG2 3.8Å; I451-A490 HydrophobicContact CD1-CB 4.13Å; I451-S491 VanDerWaalsContact CD1-OG 3.31Å; I451-S491 WeakPolarHBondContact CD1-OG 3.3Å; I451-S494 WeakPolarHBondContact CG2-OG 3.44Å |
| 452 | D | 88.5 | Confident | 86.1 | Confident | 90.5 Ų | 90.5 | 48.6 Ų | 48.6 | 48% | 0.484 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 178.6 | -63.8 | -38.2 | 0 | 0 | 0 | 111.9 | E448 R449 L450 I454 T455 M456 | E448-D452 PolarHBondContact O-N 3.17Å; R449-D452 WeakPolarHBondContact O-CB 3.49Å; R449-D452 PolarHBondContact O-N 3.12Å; L450-D452 VanDerWaalsContact C-N 3.34Å; D452-I454 PolarHBondContact O-N 3Å; D452-T455 WeakPolarHBondContact O-CB 3.43Å; D452-T455 PolarHBondContact O-N 3.1Å; D452-T455 VanDerWaalsContact O-N 3.17Å; D452-M456 WeakPolarHBondContact O-CG 3.33Å; D452-M456 PolarHBondContact O-N 3.46Å |
| 453 | L | 90 | Very high | 85.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56 | -52.1 | 177.1 | 173.3 | 59.9 | 0 | 0 | 0 | 112.3 | W398 F413 F435 R449 L450 I451 T455 M456 L457 | W398-L453 HydrophobicContact CH2-CD2 4.06Å; W398-L453 HydrophobicContact CZ3-CD2 3.76Å; F413-L453 HydrophobicContact CB-CD1 3.96Å; F413-L453 HydrophobicContact CD1-CD2 3.89Å; F413-L453 HydrophobicContact CD2-CB 3.74Å; F413-L453 HydrophobicContact CD2-CD1 4.34Å; F413-L453 HydrophobicContact CD2-CD2 4.04Å; F413-L453 HydrophobicContact CD2-CG 4.25Å; F413-L453 HydrophobicContact CE1-CD2 3.85Å; F413-L453 HydrophobicContact CE2-CB 3.9Å; F413-L453 HydrophobicContact CE2-CD2 4Å; F413-L453 HydrophobicContact CE2-CG 4.45Å; F413-L453 HydrophobicContact CG-CB 4.32Å; F413-L453 HydrophobicContact CG-CD1 4.07Å; F413-L453 HydrophobicContact CG-CD2 3.97Å; F413-L453 HydrophobicContact CG-CG 4.34Å; F413-L453 HydrophobicContact CZ-CD2 3.91Å; F435-L453 HydrophobicContact CD1-CD2 4.44Å; F435-L453 HydrophobicContact CE1-CD2 3.62Å; F435-L453 HydrophobicContact CE1-CG 4.46Å; F435-L453 HydrophobicContact CZ-CD2 3.72Å; F435-L453 HydrophobicContact CZ-CG 4.19Å; R449-L453 WeakPolarHBondContact O-CB 3.23Å; R449-L453 PolarHBondContact O-N 2.94Å; L450-L453 HydrophobicContact CD1-CD2 4.33Å; I451-L453 PolarHBondContact O-N 3.16Å; L453-T455 VanDerWaalsContact C-N 3.28Å; L453-T455 PolarHBondContact O-N 3.1Å; L453-M456 PolarHBondContact O-N 2.89Å; L453-L457 HydrophobicContact CD1-CD1 3.96Å; L453-L457 HydrophobicContact CD1-CG 4.22Å; L453-L457 HydrophobicContact CG-CD1 3.95Å; L453-L457 WeakPolarHBondContact O-CB 3.32Å; L453-L457 VanDerWaalsContact O-CG 3.22Å; L453-L457 WeakPolarHBondContact O-CG 3.38Å; L453-L457 PolarHBondContact O-N 3.11Å |
| 454 | I | 90.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -30.5 | -178.4 | -4.1 | 166 | 0 | 0 | 0 | 111.6 | F435 L450 I451 D452 L457 A458 T470 L473 L474 W477 | F435-I454 HydrophobicContact CB-CD1 4.26Å; F435-I454 HydrophobicContact CD2-CD1 3.58Å; F435-I454 HydrophobicContact CD2-CG1 3.59Å; F435-I454 HydrophobicContact CD2-CG2 3.44Å; F435-I454 VanDerWaalsContact CD2-CG2 3.44Å; F435-I454 HydrophobicContact CE2-CD1 4.15Å; F435-I454 HydrophobicContact CE2-CG1 3.62Å; F435-I454 HydrophobicContact CE2-CG2 3.64Å; F435-I454 HydrophobicContact CG-CD1 4.12Å; F435-I454 HydrophobicContact CG-CG1 4.49Å; F435-I454 HydrophobicContact CG-CG2 4.07Å; F435-I454 HydrophobicContact CZ-CG2 4.39Å; L450-I454 HydrophobicContact CD1-CG2 4.42Å; L450-I454 WeakPolarHBondContact O-CB 3.41Å; L450-I454 WeakPolarHBondContact O-CD1 3.44Å; L450-I454 WeakPolarHBondContact O-CG1 3.4Å; L450-I454 PolarHBondContact O-N 2.96Å; L450-I454 VanDerWaalsContact O-N 3.08Å; I451-I454 WeakPolarHBondContact O-CG1 3.2Å; I451-I454 PolarHBondContact O-N 2.81Å; D452-I454 PolarHBondContact O-N 3Å; I454-L457 PolarHBondContact O-N 3.5Å; I454-A458 PolarHBondContact O-N 2.89Å; I454-A458 VanDerWaalsContact O-N 3.13Å; I454-T470 HydrophobicContact CB-CG2 3.93Å; I454-T470 HydrophobicContact CD1-CG2 4.01Å; I454-T470 HydrophobicContact CG1-CG2 3.84Å; I454-T470 HydrophobicContact CG2-CG2 3.31Å; I454-T470 VanDerWaalsContact O-CG2 3.31Å; I454-T470 WeakPolarHBondContact O-CG2 3.46Å; I454-L473 HydrophobicContact CD1-CB 4.35Å; I454-L473 HydrophobicContact CD1-CD2 3.58Å; I454-L473 HydrophobicContact CD1-CG 4.18Å; I454-L473 HydrophobicContact CG1-CD2 4.32Å; I454-L473 HydrophobicContact CG2-CD2 4.28Å; I454-L474 HydrophobicContact CD1-CD2 3.71Å; I454-L474 HydrophobicContact CD1-CG 3.76Å; I454-L474 HydrophobicContact CG1-CD2 4.23Å; I454-L474 HydrophobicContact CG1-CG 4.43Å; I454-L474 HydrophobicContact CG2-CD1 4.44Å; I454-L474 HydrophobicContact CG2-CD2 4.25Å; I454-L474 HydrophobicContact CG2-CG 4.18Å; I454-W477 HydrophobicContact CD1-CE3 3.99Å; I454-W477 HydrophobicContact CD1-CH2 3.44Å; I454-W477 HydrophobicContact CD1-CZ2 4.09Å; I454-W477 HydrophobicContact CD1-CZ3 3.37Å; I454-W477 VanDerWaalsContact CD1-CZ3 3.44Å; I454-W477 HydrophobicContact CG1-CZ3 4.18Å; I454-W477 HydrophobicContact CG2-CH2 4.47Å |
| 455 | T | 89.7 | Confident | 84.5 | Confident | 5.5 Ų | 5.5 | 48.9 Ų | 48.9 | 3% | 0.034 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 173.2 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | I451 D452 L453 L457 A458 E459 S494 K497 I498 | I451-T455 VanDerWaalsContact O-CB 3.26Å; I451-T455 WeakPolarHBondContact O-CB 3.38Å; I451-T455 PolarHBondContact O-N 3.23Å; I451-T455 PolarHBondContact O-OG1 3.36Å; D452-T455 WeakPolarHBondContact O-CB 3.43Å; D452-T455 PolarHBondContact O-N 3.1Å; D452-T455 VanDerWaalsContact O-N 3.17Å; L453-T455 VanDerWaalsContact C-N 3.28Å; L453-T455 PolarHBondContact O-N 3.1Å; T455-L457 VanDerWaalsContact C-N 3.33Å; T455-L457 PolarHBondContact O-N 3.16Å; T455-A458 PolarHBondContact O-N 3.24Å; T455-E459 VanDerWaalsContact CG2-OE1 3.24Å; T455-E459 WeakPolarHBondContact CG2-OE1 3.26Å; T455-E459 WeakPolarHBondContact O-CB 3.46Å; T455-E459 WeakPolarHBondContact O-CG 3.47Å; T455-E459 PolarHBondContact O-N 3.33Å; T455-S494 VanDerWaalsContact OG1-CB 3.26Å; T455-S494 WeakPolarHBondContact OG1-CB 3.48Å; T455-S494 PolarHBondContact OG1-OG 3.21Å; T455-S494 VanDerWaalsContact OG1-OG 3.1Å; T455-K497 HydrophobicContact CG2-CD 4.05Å; T455-I498 HydrophobicContact CG2-CD1 4.41Å; T455-I498 HydrophobicContact CG2-CG1 4.11Å |
| 456 | M | 87.4 | Confident | 84.3 | Confident | 63.5 Ų | 63.5 | 41.6 Ų | 41.6 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 174.9 | -67.8 | -173.4 | -60.6 | 0 | 0 | 112.3 | T417 D452 L453 E459 Q460 | T417-M456 HydrophobicContact CG2-CB 4.05Å; D452-M456 WeakPolarHBondContact O-CG 3.33Å; D452-M456 PolarHBondContact O-N 3.46Å; L453-M456 PolarHBondContact O-N 2.89Å; M456-E459 PolarHBondContact O-N 3.16Å; M456-Q460 PolarHBondContact O-N 2.93Å |
| 457 | L | 87.1 | Confident | 84.3 | Confident | 1.5 Ų | 1.5 | 38.5 Ų | 38.5 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.2 | -72.9 | 166.4 | 0 | 0 | 0 | 112.5 | A420 L431 F435 L453 I454 T455 E459 Q460 D461 M466 | A420-L457 HydrophobicContact CB-CD2 3.36Å; L431-L457 HydrophobicContact CD2-CD1 4.3Å; F435-L457 HydrophobicContact CE2-CD1 3.59Å; F435-L457 HydrophobicContact CZ-CD1 3.61Å; L453-L457 HydrophobicContact CD1-CD1 3.96Å; L453-L457 HydrophobicContact CD1-CG 4.22Å; L453-L457 HydrophobicContact CG-CD1 3.95Å; L453-L457 WeakPolarHBondContact O-CB 3.32Å; L453-L457 VanDerWaalsContact O-CG 3.22Å; L453-L457 WeakPolarHBondContact O-CG 3.38Å; L453-L457 PolarHBondContact O-N 3.11Å; I454-L457 PolarHBondContact O-N 3.5Å; T455-L457 VanDerWaalsContact C-N 3.33Å; T455-L457 PolarHBondContact O-N 3.16Å; L457-E459 VanDerWaalsContact C-N 3.33Å; L457-E459 PolarHBondContact O-N 2.88Å; L457-Q460 PolarHBondContact O-N 2.91Å; L457-D461 PolarHBondContact O-N 2.97Å; L457-M466 HydrophobicContact CB-CE 3.63Å; L457-M466 HydrophobicContact CB-SD 4.04Å; L457-M466 HydrophobicContact CD1-CE 3.93Å; L457-M466 HydrophobicContact CD2-CE 4.18Å; L457-M466 HydrophobicContact CG-CE 4.13Å |
| 458 | A | 86.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.2 | -21.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I454 T455 D461 M467 T470 I498 | I454-A458 PolarHBondContact O-N 2.89Å; I454-A458 VanDerWaalsContact O-N 3.13Å; T455-A458 PolarHBondContact O-N 3.24Å; A458-D461 WeakPolarHBondContact O-CB 3.47Å; A458-D461 PolarHBondContact O-N 3.17Å; A458-M467 HydrophobicContact CB-CB 4.41Å; A458-M467 HydrophobicContact CB-CG 4.44Å; A458-M467 WeakPolarHBondContact O-CE 3.33Å; A458-T470 HydrophobicContact CB-CG2 3.7Å; A458-I498 HydrophobicContact CB-CD1 3.86Å; A458-I498 HydrophobicContact CB-CG1 4.04Å; A458-I498 HydrophobicContact CB-CG2 3.98Å |
| 459 | E | 84.6 | Confident | 84 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -76.6 | -27.6 | 175.7 | -80.5 | 170.1 | -167.5 | 0 | 0 | 113.3 | T455 M456 L457 D461 K497 C501 | T455-E459 VanDerWaalsContact CG2-OE1 3.24Å; T455-E459 WeakPolarHBondContact CG2-OE1 3.26Å; T455-E459 WeakPolarHBondContact O-CB 3.46Å; T455-E459 WeakPolarHBondContact O-CG 3.47Å; T455-E459 PolarHBondContact O-N 3.33Å; M456-E459 PolarHBondContact O-N 3.16Å; L457-E459 VanDerWaalsContact C-N 3.33Å; L457-E459 PolarHBondContact O-N 2.88Å; E459-D461 VanDerWaalsContact C-N 3.31Å; E459-K497 WeakPolarHBondContact OE1-CD 3.38Å; E459-K497 WeakPolarHBondContact OE1-CE 3.31Å; E459-K497 WeakPolarHBondContact OE1-CG 3.09Å; E459-K497 IonicContact OE1-NZ 2.77Å; E459-K497 PolarHBondContact OE1-NZ 3.13Å; E459-K497 IonicContact OE2-NZ 2.68Å; E459-K497 PolarHBondContact OE2-NZ 2.92Å; E459-C501 HydrophobicContact CG-CB 4.4Å |
| 460 | Q | 80.8 | Confident | 84.2 | Confident | 100 Ų | 100 | 37.9 Ų | 37.9 | 47% | 0.467 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -78.9 | -20.8 | 172.1 | -61.1 | -56.9 | -32.4 | 0 | 0 | 113.1 | T417 L421 M456 L457 T462 | T417-Q460 HydrophobicContact CG2-CG 3.76Å; L421-Q460 HydrophobicContact CD1-CB 4.33Å; L421-Q460 HydrophobicContact CD2-CB 4.1Å; L421-Q460 HydrophobicContact CG-CB 4.4Å; M456-Q460 PolarHBondContact O-N 2.93Å; L457-Q460 PolarHBondContact O-N 2.91Å; Q460-T462 PolarHBondContact O-N 3Å |
| 461 | D | 81.1 | Confident | 84.2 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | trans | -57.8 | 116.6 | -171.2 | -171.9 | -1.9 | 0 | 0 | 0 | 113.3 | L457 A458 E459 D463 G464 M465 M466 M467 K504 | L457-D461 PolarHBondContact O-N 2.97Å; A458-D461 WeakPolarHBondContact O-CB 3.47Å; A458-D461 PolarHBondContact O-N 3.17Å; E459-D461 VanDerWaalsContact C-N 3.31Å; D461-D463 PolarHBondContact OD1-N 3.28Å; D461-G464 VanDerWaalsContact CG-N 3.25Å; D461-G464 PolarHBondContact OD1-N 3.09Å; D461-G464 WeakPolarHBondContact OD2-CA 3.36Å; D461-G464 PolarHBondContact OD2-N 2.99Å; D461-G464 VanDerWaalsContact OD2-N 3.15Å; D461-M465 PolarHBondContact OD2-N 3.38Å; D461-M466 HydrophobicContact CB-CB 4.23Å; D461-M466 HydrophobicContact CB-CG 4.44Å; D461-M466 WeakPolarHBondContact OD2-CA 3.4Å; D461-M466 VanDerWaalsContact OD2-CB 3.3Å; D461-M466 WeakPolarHBondContact OD2-CB 3.39Å; D461-M466 PolarHBondContact OD2-N 3.22Å; D461-M467 HydrophobicContact CB-CB 4.37Å; D461-M467 WeakPolarHBondContact OD2-CB 3.39Å; D461-M467 PolarHBondContact OD2-N 2.98Å; D461-K504 PolarHBondContact O-NZ 3.43Å | ||
| 462 | T | 73.7 | Confident | 84.2 | Confident | 89.5 Ų | 89.5 | 39.8 Ų | 39.8 | 55% | 0.549 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -76.2 | -38.5 | 178.3 | 41 | 0 | 0 | 0 | 0 | 112.6 | L421 Q460 K504 | L421-T462 HydrophobicContact CD2-CG2 4.4Å; Q460-T462 PolarHBondContact O-N 3Å; T462-K504 PolarHBondContact O-NZ 3.12Å |
| 463 | D | 70.5 | Confident | 84.2 | Confident | 96 Ų | 96 | 35.5 Ų | 35.5 | 51% | 0.513 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -111.8 | -15.8 | -159.9 | -10.2 | -31.3 | 0 | 0 | 0 | 113.1 | D461 M465 | D461-D463 PolarHBondContact OD1-N 3.28Å; D463-M465 VanDerWaalsContact C-N 3.35Å; D463-M465 HydrophobicContact CB-CE 4.4Å |
| 464 | G | 75.2 | Confident | 84.3 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 91.3 | -5.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D461 M466 M467 Q468 F506 | D461-G464 VanDerWaalsContact CG-N 3.25Å; D461-G464 PolarHBondContact OD1-N 3.09Å; D461-G464 WeakPolarHBondContact OD2-CA 3.36Å; D461-G464 PolarHBondContact OD2-N 2.99Å; D461-G464 VanDerWaalsContact OD2-N 3.15Å; G464-M466 VanDerWaalsContact C-N 3.34Å; G464-M466 PolarHBondContact O-N 3.3Å; G464-M467 PolarHBondContact O-N 3.46Å; G464-Q468 PolarHBondContact O-N 2.95Å; G464-Q468 VanDerWaalsContact O-N 3.13Å; G464-F506 VanDerWaalsContact CA-CE1 3.45Å |
| 465 | M | 74.9 | Confident | 84.3 | Confident | 98.5 Ų | 98.5 | 36 Ų | 36 | 49% | 0.485 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.6 | -32 | -180 | -69 | -129.4 | 1.9 | 0 | 0 | 112.9 | M425 D461 D463 K469 | M425-M465 HydrophobicContact CE-CB 3.99Å; M425-M465 HydrophobicContact CE-CE 4.39Å; M425-M465 HydrophobicContact CE-CG 4.19Å; M425-M465 HydrophobicContact CE-SD 4.13Å; M425-M465 HydrophobicContact SD-CB 4.37Å; D461-M465 PolarHBondContact OD2-N 3.38Å; D463-M465 VanDerWaalsContact C-N 3.35Å; D463-M465 HydrophobicContact CB-CE 4.4Å; M465-K469 WeakPolarHBondContact O-CD 3.43Å; M465-K469 WeakPolarHBondContact O-CG 3.43Å; M465-K469 PolarHBondContact O-N 3.35Å |
| 466 | M | 80.2 | Confident | 84.2 | Confident | 9.5 Ų | 9.5 | 39.3 Ų | 39.3 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -79.4 | -37.4 | 173.7 | -104.3 | -171 | -169.5 | 0 | 0 | 110.8 | A420 L428 F432 L457 D461 G464 Q468 K469 T470 | A420-M466 HydrophobicContact CB-SD 4.37Å; A420-M466 WeakPolarHBondContact O-CE 3.38Å; L428-M466 HydrophobicContact CD1-CE 3.93Å; L428-M466 HydrophobicContact CD1-CG 4.33Å; L428-M466 HydrophobicContact CD1-SD 3.77Å; L428-M466 HydrophobicContact CD2-CB 4.22Å; L428-M466 HydrophobicContact CD2-CE 4.36Å; L428-M466 HydrophobicContact CD2-CG 3.81Å; L428-M466 HydrophobicContact CD2-SD 4.07Å; L428-M466 HydrophobicContact CG-CE 4.16Å; L428-M466 HydrophobicContact CG-SD 4.35Å; F432-M466 HydrophobicContact CE1-CE 4.04Å; F432-M466 HydrophobicContact CE2-CE 3.93Å; F432-M466 HydrophobicContact CE2-CG 3.92Å; F432-M466 HydrophobicContact CZ-CE 3.48Å; F432-M466 VanDerWaalsContact CZ-CE 3.48Å; F432-M466 HydrophobicContact CZ-CG 3.6Å; F432-M466 HydrophobicContact CZ-SD 4.45Å; L457-M466 HydrophobicContact CB-CE 3.63Å; L457-M466 HydrophobicContact CB-SD 4.04Å; L457-M466 HydrophobicContact CD1-CE 3.93Å; L457-M466 HydrophobicContact CD2-CE 4.18Å; L457-M466 HydrophobicContact CG-CE 4.13Å; D461-M466 HydrophobicContact CB-CB 4.23Å; D461-M466 HydrophobicContact CB-CG 4.44Å; D461-M466 WeakPolarHBondContact OD2-CA 3.4Å; D461-M466 VanDerWaalsContact OD2-CB 3.3Å; D461-M466 WeakPolarHBondContact OD2-CB 3.39Å; D461-M466 PolarHBondContact OD2-N 3.22Å; G464-M466 VanDerWaalsContact C-N 3.34Å; G464-M466 PolarHBondContact O-N 3.3Å; M466-Q468 PolarHBondContact O-N 3.15Å; M466-K469 PolarHBondContact O-N 3.27Å; M466-T470 VanDerWaalsContact O-CB 3.32Å; M466-T470 WeakPolarHBondContact O-CB 3.36Å; M466-T470 PolarHBondContact O-N 3.1Å; M466-T470 PolarHBondContact O-OG1 3.45Å |
| 467 | M | 85.7 | Confident | 84.2 | Confident | 5.5 Ų | 5.5 | 36.6 Ų | 36.6 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | -179.8 | -173.4 | 177.3 | -70.7 | 0 | 0 | 111.4 | A458 D461 G464 K469 T470 L471 I498 I507 L510 | A458-M467 HydrophobicContact CB-CB 4.41Å; A458-M467 HydrophobicContact CB-CG 4.44Å; A458-M467 WeakPolarHBondContact O-CE 3.33Å; D461-M467 HydrophobicContact CB-CB 4.37Å; D461-M467 WeakPolarHBondContact OD2-CB 3.39Å; D461-M467 PolarHBondContact OD2-N 2.98Å; G464-M467 PolarHBondContact O-N 3.46Å; M467-K469 PolarHBondContact O-N 2.97Å; M467-T470 WeakPolarHBondContact O-CB 3.38Å; M467-T470 PolarHBondContact O-N 2.81Å; M467-L471 HydrophobicContact CG-CD1 4.2Å; M467-L471 VanDerWaalsContact O-CG 3.3Å; M467-L471 WeakPolarHBondContact O-CG 3.45Å; M467-L471 PolarHBondContact O-N 3.04Å; M467-I498 HydrophobicContact CE-CG2 4.2Å; M467-I498 HydrophobicContact CG-CG2 3.52Å; M467-I498 VanDerWaalsContact CG-CG2 3.41Å; M467-I498 HydrophobicContact SD-CG2 4.02Å; M467-I507 HydrophobicContact CE-CD1 3.75Å; M467-I507 HydrophobicContact CE-CG1 4.35Å; M467-I507 HydrophobicContact SD-CD1 3.87Å; M467-I507 HydrophobicContact SD-CG1 3.82Å; M467-L510 HydrophobicContact CG-CD1 3.91Å; M467-L510 HydrophobicContact CG-CD2 4.05Å; M467-L510 HydrophobicContact SD-CD1 3.78Å; M467-L510 HydrophobicContact SD-CD2 4.01Å |
| 468 | Q | 86.5 | Confident | 84.2 | Confident | 86 Ų | 86 | 36.6 Ų | 36.6 | 40% | 0.402 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60 | -49.4 | 176.1 | -175.1 | -178.1 | -27 | 0 | 0 | 111.7 | G464 M466 T470 L471 D472 L510 | G464-Q468 PolarHBondContact O-N 2.95Å; G464-Q468 VanDerWaalsContact O-N 3.13Å; M466-Q468 PolarHBondContact O-N 3.15Å; Q468-T470 VanDerWaalsContact C-N 3.26Å; Q468-T470 PolarHBondContact O-N 3.08Å; Q468-L471 PolarHBondContact O-N 2.88Å; Q468-D472 PolarHBondContact O-N 2.74Å; Q468-L510 HydrophobicContact CB-CD2 4.36Å; Q468-L510 HydrophobicContact CG-CD2 4.36Å |
| 469 | K | 85.5 | Confident | 84 | Confident | 71.5 Ų | 71.5 | 38.3 Ų | 38.3 | 31% | 0.311 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.5 | -35.5 | 178.3 | -70.3 | 174.6 | -179.2 | -127.8 | 0 | 112.5 | M425 N429 F432 M465 M466 M467 L473 | M425-K469 PolarHBondContact SD-NZ 2.76Å; N429-K469 WeakPolarHBondContact OD1-CE 3.38Å; N429-K469 PolarHBondContact OD1-NZ 3.12Å; F432-K469 HydrophobicContact CD1-CB 4.07Å; F432-K469 HydrophobicContact CD2-CD 4.47Å; F432-K469 HydrophobicContact CE1-CB 3.67Å; F432-K469 HydrophobicContact CE2-CB 4.17Å; F432-K469 HydrophobicContact CE2-CD 4.17Å; F432-K469 HydrophobicContact CZ-CB 3.95Å; M465-K469 WeakPolarHBondContact O-CD 3.43Å; M465-K469 WeakPolarHBondContact O-CG 3.43Å; M465-K469 PolarHBondContact O-N 3.35Å; M466-K469 PolarHBondContact O-N 3.27Å; M467-K469 PolarHBondContact O-N 2.97Å; K469-L473 WeakPolarHBondContact O-CB 3.28Å; K469-L473 PolarHBondContact O-N 3.21Å |
| 470 | T | 89.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.4 | -44.9 | 176.5 | -63 | 0 | 0 | 0 | 0 | 111.9 | F432 I454 A458 M466 M467 Q468 D472 L473 L474 I498 | F432-T470 WeakPolarHBondContact CZ-OG1 3.42Å; I454-T470 HydrophobicContact CB-CG2 3.93Å; I454-T470 HydrophobicContact CD1-CG2 4.01Å; I454-T470 HydrophobicContact CG1-CG2 3.84Å; I454-T470 HydrophobicContact CG2-CG2 3.31Å; I454-T470 VanDerWaalsContact O-CG2 3.31Å; I454-T470 WeakPolarHBondContact O-CG2 3.46Å; A458-T470 HydrophobicContact CB-CG2 3.7Å; M466-T470 VanDerWaalsContact O-CB 3.32Å; M466-T470 WeakPolarHBondContact O-CB 3.36Å; M466-T470 PolarHBondContact O-N 3.1Å; M466-T470 PolarHBondContact O-OG1 3.45Å; M467-T470 WeakPolarHBondContact O-CB 3.38Å; M467-T470 PolarHBondContact O-N 2.81Å; Q468-T470 VanDerWaalsContact C-N 3.26Å; Q468-T470 PolarHBondContact O-N 3.08Å; T470-D472 VanDerWaalsContact C-N 3.34Å; T470-L473 WeakPolarHBondContact O-CB 3.41Å; T470-L473 PolarHBondContact O-N 2.86Å; T470-L474 HydrophobicContact CG2-CD1 3.94Å; T470-L474 HydrophobicContact CG2-CG 4.37Å; T470-L474 WeakPolarHBondContact O-CB 3.12Å; T470-L474 WeakPolarHBondContact O-CG 3.46Å; T470-L474 PolarHBondContact O-N 2.99Å; T470-I498 HydrophobicContact CG2-CD1 3.61Å; T470-I498 VanDerWaalsContact CG2-CD1 3.5Å |
| 471 | L | 90.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 177 | -67.3 | 168 | 0 | 0 | 0 | 111 | M467 Q468 L473 L474 W475 H495 I498 L499 L510 W514 | M467-L471 HydrophobicContact CG-CD1 4.2Å; M467-L471 VanDerWaalsContact O-CG 3.3Å; M467-L471 WeakPolarHBondContact O-CG 3.45Å; M467-L471 PolarHBondContact O-N 3.04Å; Q468-L471 PolarHBondContact O-N 2.88Å; L471-L473 VanDerWaalsContact C-N 3.32Å; L471-L473 PolarHBondContact O-N 3.13Å; L471-L474 PolarHBondContact O-N 3.25Å; L471-W475 VanDerWaalsContact O-CB 3.26Å; L471-W475 WeakPolarHBondContact O-CB 3.49Å; L471-W475 PolarHBondContact O-N 3.09Å; L471-H495 HydrophobicContact CD2-CB 4.29Å; L471-H495 VanDerWaalsContact CD2-CD2 3.46Å; L471-H495 WeakPolarHBondContact CD2-CD2 3.39Å; L471-H495 WeakPolarHBondContact CD2-O 3.49Å; L471-H495 PolarHBondContact O-CD2 2.87Å; L471-I498 HydrophobicContact CD1-CG2 4.21Å; L471-I498 HydrophobicContact CD2-CB 3.99Å; L471-I498 HydrophobicContact CD2-CD1 4.33Å; L471-I498 HydrophobicContact CD2-CG2 3.86Å; L471-I498 HydrophobicContact CG-CG2 4.15Å; L471-L499 HydrophobicContact CD1-CD1 4.49Å; L471-L499 HydrophobicContact CD1-CD2 3.7Å; L471-L499 HydrophobicContact CD1-CG 4.03Å; L471-L499 HydrophobicContact CD2-CD1 4.36Å; L471-L499 HydrophobicContact CD2-CG 4Å; L471-L510 HydrophobicContact CD1-CD1 3.99Å; L471-L510 HydrophobicContact CD1-CD2 3.67Å; L471-L510 HydrophobicContact CD1-CG 4.02Å; L471-W514 HydrophobicContact CB-CZ2 3.68Å |
| 472 | D | 89.9 | Confident | 81.8 | Confident | 47.5 Ų | 47.5 | 40.3 Ų | 40.3 | 25% | 0.254 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60 | -39.6 | 173 | -77 | -42.9 | 0 | 0 | 0 | 112 | Q468 T470 W475 D476 W514 K517 | Q468-D472 PolarHBondContact O-N 2.74Å; T470-D472 VanDerWaalsContact C-N 3.34Å; D472-W475 PolarHBondContact O-N 2.95Å; D472-D476 PolarHBondContact O-N 3.43Å; D472-W514 WeakPolarHBondContact OD1-CH2 3.4Å; D472-W514 WeakPolarHBondContact OD1-CZ2 3.36Å; D472-K517 IonicContact OD1-NZ 2.77Å; D472-K517 PolarHBondContact OD1-NZ 2.81Å; D472-K517 IonicContact OD2-NZ 3.2Å |
| 473 | L | 89.8 | Confident | 80.8 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -44 | 176.4 | 179.2 | 63.1 | 0 | 0 | 0 | 113.4 | F432 F435 K436 I454 K469 T470 L471 W475 D476 W477 | F432-L473 HydrophobicContact CD1-CD2 3.78Å; F432-L473 HydrophobicContact CE1-CD2 4.01Å; F435-L473 HydrophobicContact CB-CD2 4.24Å; F435-L473 HydrophobicContact CD2-CD2 4.47Å; K436-L473 HydrophobicContact CD-CD1 4.07Å; K436-L473 VanDerWaalsContact CE-CD1 3.45Å; K436-L473 HydrophobicContact CG-CD1 3.48Å; K436-L473 VanDerWaalsContact CG-CD1 3.44Å; I454-L473 HydrophobicContact CD1-CB 4.35Å; I454-L473 HydrophobicContact CD1-CD2 3.58Å; I454-L473 HydrophobicContact CD1-CG 4.18Å; I454-L473 HydrophobicContact CG1-CD2 4.32Å; I454-L473 HydrophobicContact CG2-CD2 4.28Å; K469-L473 WeakPolarHBondContact O-CB 3.28Å; K469-L473 PolarHBondContact O-N 3.21Å; T470-L473 WeakPolarHBondContact O-CB 3.41Å; T470-L473 PolarHBondContact O-N 2.86Å; L471-L473 VanDerWaalsContact C-N 3.32Å; L471-L473 PolarHBondContact O-N 3.13Å; L473-W475 VanDerWaalsContact C-N 3.27Å; L473-W475 PolarHBondContact O-N 3.23Å; L473-D476 WeakPolarHBondContact O-CB 3.08Å; L473-D476 PolarHBondContact O-N 3.37Å; L473-W477 HydrophobicContact CD1-CD2 4.24Å; L473-W477 VanDerWaalsContact CD1-CE2 3.46Å; L473-W477 HydrophobicContact CD1-CH2 4.25Å; L473-W477 HydrophobicContact CD1-CZ2 3.64Å; L473-W477 VanDerWaalsContact CD1-CZ2 3.48Å; L473-W477 HydrophobicContact CD2-CH2 4.08Å; L473-W477 HydrophobicContact CD2-CZ2 3.99Å; L473-W477 HydrophobicContact CD2-CZ3 4.43Å; L473-W477 HydrophobicContact CG-CD2 4.23Å; L473-W477 HydrophobicContact CG-CE3 4.43Å; L473-W477 HydrophobicContact CG-CH2 3.88Å; L473-W477 HydrophobicContact CG-CZ2 3.85Å; L473-W477 HydrophobicContact CG-CZ3 4.31Å; L473-W477 WeakPolarHBondContact O-CB 3.17Å; L473-W477 VanDerWaalsContact O-CG 3.22Å; L473-W477 PolarHBondContact O-N 3.03Å; L473-W477 VanDerWaalsContact O-N 3.08Å |
| 474 | L | 91.1 | Very high | 80.8 | Confident | 0.5 Ų | 0.5 | 41.8 Ų | 41.8 | 0% | 0.003 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -33.1 | 176.1 | -72.5 | 169.9 | 0 | 0 | 0 | 111.5 | I451 I454 T470 L471 W477 A478 H495 I498 | I451-L474 HydrophobicContact CB-CD2 4.41Å; I451-L474 HydrophobicContact CG1-CD2 4.22Å; I451-L474 HydrophobicContact CG2-CD2 4.03Å; I454-L474 HydrophobicContact CD1-CD2 3.71Å; I454-L474 HydrophobicContact CD1-CG 3.76Å; I454-L474 HydrophobicContact CG1-CD2 4.23Å; I454-L474 HydrophobicContact CG1-CG 4.43Å; I454-L474 HydrophobicContact CG2-CD1 4.44Å; I454-L474 HydrophobicContact CG2-CD2 4.25Å; I454-L474 HydrophobicContact CG2-CG 4.18Å; T470-L474 HydrophobicContact CG2-CD1 3.94Å; T470-L474 HydrophobicContact CG2-CG 4.37Å; T470-L474 WeakPolarHBondContact O-CB 3.12Å; T470-L474 WeakPolarHBondContact O-CG 3.46Å; T470-L474 PolarHBondContact O-N 2.99Å; L471-L474 PolarHBondContact O-N 3.25Å; L474-W477 HydrophobicContact CD2-CE3 4.34Å; L474-W477 PolarHBondContact O-N 3.48Å; L474-A478 WeakPolarHBondContact O-CB 3.44Å; L474-A478 PolarHBondContact O-N 3.39Å; L474-H495 HydrophobicContact CB-CB 4.32Å; L474-H495 HydrophobicContact CD1-CB 4.28Å; L474-I498 HydrophobicContact CD1-CD1 3.48Å; L474-I498 VanDerWaalsContact CD1-CD1 3.45Å |
| 475 | W | 90.9 | Very high | 80.8 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71 | -47.2 | 175.5 | -174.7 | -109.7 | 0 | 0 | 0 | 112.5 | L471 D472 L473 W477 A478 I479 L492 W514 L518 F521 P535 A536 Q539 | L471-W475 VanDerWaalsContact O-CB 3.26Å; L471-W475 WeakPolarHBondContact O-CB 3.49Å; L471-W475 PolarHBondContact O-N 3.09Å; D472-W475 PolarHBondContact O-N 2.95Å; L473-W475 VanDerWaalsContact C-N 3.27Å; L473-W475 PolarHBondContact O-N 3.23Å; W475-W477 PolarHBondContact O-N 2.86Å; W475-A478 PolarHBondContact O-N 3.01Å; W475-A478 VanDerWaalsContact O-N 3.15Å; W475-I479 HydrophobicContact CD2-CD1 4.21Å; W475-I479 HydrophobicContact CD2-CG1 4.49Å; W475-I479 VanDerWaalsContact CE2-CD1 3.49Å; W475-I479 HydrophobicContact CG-CD1 4.35Å; W475-I479 HydrophobicContact CZ2-CD1 3.83Å; W475-I479 HydrophobicContact CZ2-CG1 4.25Å; W475-I479 VanDerWaalsContact NE1-CD1 3.28Å; W475-I479 WeakPolarHBondContact O-CG1 3.39Å; W475-I479 PolarHBondContact O-N 3.11Å; W475-L492 HydrophobicContact CE3-CD2 4.32Å; W475-L492 HydrophobicContact CZ3-CD2 4.07Å; W475-W514 HydrophobicContact CB-CH2 3.71Å; W475-W514 HydrophobicContact CB-CZ3 4.01Å; W475-W514 AromaticContact CD1-CH2 3.95Å; W475-W514 AromaticContact CD1-CZ3 3.94Å; W475-W514 HydrophobicContact CD2-CH2 4.47Å; W475-W514 AromaticContact CD2-CZ3 3.96Å; W475-W514 HydrophobicContact CD2-CZ3 3.96Å; W475-W514 AromaticContact CG-CH2 3.8Å; W475-W514 HydrophobicContact CG-CH2 3.8Å; W475-W514 AromaticContact CG-CZ3 3.67Å; W475-W514 HydrophobicContact CG-CZ3 3.67Å; W475-L518 HydrophobicContact CE3-CD2 4.31Å; W475-L518 HydrophobicContact CH2-CD2 3.36Å; W475-L518 HydrophobicContact CZ2-CD2 3.9Å; W475-L518 HydrophobicContact CZ3-CD2 3.58Å; W475-F521 AromaticContact CE2-CD2 3.9Å; W475-F521 AromaticContact CE2-CE2 3.58Å; W475-F521 HydrophobicContact CH2-CD2 4.48Å; W475-F521 AromaticContact CZ2-CD2 3.49Å; W475-F521 HydrophobicContact CZ2-CD2 3.49Å; W475-F521 VanDerWaalsContact CZ2-CD2 3.44Å; W475-F521 AromaticContact CZ2-CE2 3.7Å; W475-F521 HydrophobicContact CZ2-CE2 3.7Å; W475-F521 AromaticContact CZ2-CG 4Å; W475-F521 HydrophobicContact CZ2-CG 4.17Å; W475-F521 AromaticContact NE1-CD2 3.78Å; W475-F521 AromaticContact NE1-CE2 3.14Å; W475-F521 AromaticContact NE1-CZ 3.42Å; W475-F521 VanDerWaalsContact NE1-CZ 3.33Å; W475-P535 HydrophobicContact CH2-CB 3.86Å; W475-P535 HydrophobicContact CZ3-CB 3.84Å; W475-A536 HydrophobicContact CH2-CB 4.01Å; W475-Q539 HydrophobicContact CZ3-CB 4.28Å; W475-Q539 HydrophobicContact CZ3-CG 4.42Å |
| 476 | D | 87.3 | Confident | 81.1 | Confident | 75 Ų | 75 | 44.8 Ų | 44.8 | 40% | 0.401 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -50 | -44.4 | 169.2 | -80.9 | -8.8 | 0 | 0 | 0 | 110.9 | K436 D472 L473 S480 | K436-D476 IonicContact NZ-OD2 2.93Å; K436-D476 PolarHBondContact NZ-OD2 3.35Å; D472-D476 PolarHBondContact O-N 3.43Å; L473-D476 WeakPolarHBondContact O-CB 3.08Å; L473-D476 PolarHBondContact O-N 3.37Å; D476-S480 WeakPolarHBondContact O-CB 3.29Å; D476-S480 PolarHBondContact O-N 3.13Å; D476-S480 PolarHBondContact O-OG 3.22Å |
| 477 | W | 87.8 | Confident | 81.3 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.4 | -42.6 | -179.6 | -70.3 | -2 | 0 | 0 | 0 | 112.9 | F435 W439 L450 I451 I454 L473 L474 W475 I479 S480 L481 | F435-W477 HydrophobicContact CB-CH2 4.5Å; W439-W477 HydrophobicContact CB-CZ2 3.83Å; W439-W477 AromaticContact CD1-CD1 3.7Å; W439-W477 AromaticContact CD1-NE1 3.57Å; W439-W477 AromaticContact CD2-CD1 3.74Å; W439-W477 AromaticContact CD2-CD2 3.52Å; W439-W477 HydrophobicContact CD2-CD2 3.52Å; W439-W477 AromaticContact CD2-CE2 3.41Å; W439-W477 VanDerWaalsContact CD2-CE2 3.41Å; W439-W477 AromaticContact CD2-CE3 3.99Å; W439-W477 HydrophobicContact CD2-CE3 4.04Å; W439-W477 AromaticContact CD2-CG 3.82Å; W439-W477 HydrophobicContact CD2-CG 3.82Å; W439-W477 HydrophobicContact CD2-CH2 4.1Å; W439-W477 AromaticContact CD2-CZ2 3.85Å; W439-W477 HydrophobicContact CD2-CZ2 3.85Å; W439-W477 HydrophobicContact CD2-CZ3 4.24Å; W439-W477 AromaticContact CD2-NE1 3.65Å; W439-W477 AromaticContact CE2-CD1 3.68Å; W439-W477 AromaticContact CE2-CD2 3.69Å; W439-W477 AromaticContact CE2-CE2 3.89Å; W439-W477 AromaticContact CE2-CG 3.49Å; W439-W477 VanDerWaalsContact CE2-CG 3.45Å; W439-W477 AromaticContact CE2-NE1 3.94Å; W439-W477 AromaticContact CE3-CD2 3.5Å; W439-W477 HydrophobicContact CE3-CD2 3.5Å; W439-W477 AromaticContact CE3-CE2 3.56Å; W439-W477 VanDerWaalsContact CE3-CE2 3.49Å; W439-W477 AromaticContact CE3-CE3 3.5Å; W439-W477 HydrophobicContact CE3-CE3 3.5Å; W439-W477 VanDerWaalsContact CE3-CE3 3.47Å; W439-W477 HydrophobicContact CE3-CG 4.22Å; W439-W477 AromaticContact CE3-CH2 3.65Å; W439-W477 HydrophobicContact CE3-CH2 3.65Å; W439-W477 VanDerWaalsContact CE3-CH2 3.46Å; W439-W477 AromaticContact CE3-CZ2 3.65Å; W439-W477 HydrophobicContact CE3-CZ2 3.65Å; W439-W477 AromaticContact CE3-CZ3 3.57Å; W439-W477 HydrophobicContact CE3-CZ3 3.57Å; W439-W477 VanDerWaalsContact CE3-CZ3 3.46Å; W439-W477 AromaticContact CG-CD1 3.81Å; W439-W477 HydrophobicContact CG-CD2 4.15Å; W439-W477 AromaticContact CG-CE2 3.58Å; W439-W477 HydrophobicContact CG-CG 4.33Å; W439-W477 AromaticContact CG-CZ2 3.81Å; W439-W477 HydrophobicContact CG-CZ2 3.95Å; W439-W477 AromaticContact CG-NE1 3.43Å; W439-W477 HydrophobicContact CH2-CB 4.06Å; W439-W477 AromaticContact CH2-CD2 3.85Å; W439-W477 HydrophobicContact CH2-CD2 3.85Å; W439-W477 AromaticContact CH2-CE3 3.66Å; W439-W477 HydrophobicContact CH2-CE3 3.66Å; W439-W477 AromaticContact CH2-CG 3.94Å; W439-W477 HydrophobicContact CH2-CG 4.05Å; W439-W477 HydrophobicContact CH2-CZ3 4.17Å; W439-W477 HydrophobicContact CZ2-CB 3.61Å; W439-W477 AromaticContact CZ2-CD2 3.87Å; W439-W477 HydrophobicContact CZ2-CD2 3.87Å; W439-W477 HydrophobicContact CZ2-CE3 4.18Å; W439-W477 AromaticContact CZ2-CG 3.63Å; W439-W477 HydrophobicContact CZ2-CG 3.63Å; W439-W477 AromaticContact CZ3-CD2 3.66Å; W439-W477 HydrophobicContact CZ3-CD2 3.66Å; W439-W477 AromaticContact CZ3-CE3 3.29Å; W439-W477 HydrophobicContact CZ3-CE3 3.29Å; W439-W477 HydrophobicContact CZ3-CG 4.32Å; W439-W477 AromaticContact CZ3-CH2 3.93Å; W439-W477 HydrophobicContact CZ3-CH2 4.12Å; W439-W477 HydrophobicContact CZ3-CZ2 4.43Å; W439-W477 AromaticContact CZ3-CZ3 3.54Å; W439-W477 HydrophobicContact CZ3-CZ3 3.54Å; W439-W477 VanDerWaalsContact CZ3-CZ3 3.4Å; W439-W477 AromaticContact NE1-CD1 3.53Å; W439-W477 AromaticContact NE1-CG 3.8Å; W439-W477 AromaticContact NE1-NE1 3.86Å; L450-W477 HydrophobicContact CB-CH2 4.05Å; L450-W477 HydrophobicContact CB-CZ3 4.18Å; L450-W477 HydrophobicContact CD1-CH2 4.27Å; L450-W477 HydrophobicContact CD2-CH2 3.84Å; L450-W477 HydrophobicContact CD2-CZ2 4.21Å; L450-W477 HydrophobicContact CG-CH2 3.57Å; L450-W477 HydrophobicContact CG-CZ2 4.42Å; L450-W477 HydrophobicContact CG-CZ3 4.07Å; I451-W477 HydrophobicContact CG1-CE3 4.09Å; I451-W477 HydrophobicContact CG1-CZ3 4.19Å; I454-W477 HydrophobicContact CD1-CE3 3.99Å; I454-W477 HydrophobicContact CD1-CH2 3.44Å; I454-W477 HydrophobicContact CD1-CZ2 4.09Å; I454-W477 HydrophobicContact CD1-CZ3 3.37Å; I454-W477 VanDerWaalsContact CD1-CZ3 3.44Å; I454-W477 HydrophobicContact CG1-CZ3 4.18Å; I454-W477 HydrophobicContact CG2-CH2 4.47Å; L473-W477 HydrophobicContact CD1-CD2 4.24Å; L473-W477 VanDerWaalsContact CD1-CE2 3.46Å; L473-W477 HydrophobicContact CD1-CH2 4.25Å; L473-W477 HydrophobicContact CD1-CZ2 3.64Å; L473-W477 VanDerWaalsContact CD1-CZ2 3.48Å; L473-W477 HydrophobicContact CD2-CH2 4.08Å; L473-W477 HydrophobicContact CD2-CZ2 3.99Å; L473-W477 HydrophobicContact CD2-CZ3 4.43Å; L473-W477 HydrophobicContact CG-CD2 4.23Å; L473-W477 HydrophobicContact CG-CE3 4.43Å; L473-W477 HydrophobicContact CG-CH2 3.88Å; L473-W477 HydrophobicContact CG-CZ2 3.85Å; L473-W477 HydrophobicContact CG-CZ3 4.31Å; L473-W477 WeakPolarHBondContact O-CB 3.17Å; L473-W477 VanDerWaalsContact O-CG 3.22Å; L473-W477 PolarHBondContact O-N 3.03Å; L473-W477 VanDerWaalsContact O-N 3.08Å; L474-W477 HydrophobicContact CD2-CE3 4.34Å; L474-W477 PolarHBondContact O-N 3.48Å; W475-W477 PolarHBondContact O-N 2.86Å; W477-I479 VanDerWaalsContact C-N 3.3Å; W477-I479 PolarHBondContact O-N 3.08Å; W477-S480 WeakPolarHBondContact CA-OG 3.46Å; W477-S480 PolarHBondContact O-N 3.43Å; W477-S480 VanDerWaalsContact O-N 3.14Å; W477-S480 PolarHBondContact O-OG 2.87Å; W477-L481 WeakPolarHBondContact O-CD1 3.5Å; W477-L481 VanDerWaalsContact O-CG 3.31Å; W477-L481 WeakPolarHBondContact O-CG 3.24Å; W477-L481 PolarHBondContact O-N 3.26Å |
| 478 | A | 86.1 | Confident | 81.3 | Confident | 1.5 Ų | 1.5 | 44.7 Ų | 44.7 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L474 W475 M488 L492 | L474-A478 WeakPolarHBondContact O-CB 3.44Å; L474-A478 PolarHBondContact O-N 3.39Å; W475-A478 PolarHBondContact O-N 3.01Å; W475-A478 VanDerWaalsContact O-N 3.15Å; A478-M488 HydrophobicContact CB-CG 4.5Å; A478-L492 HydrophobicContact CB-CD2 3.72Å; A478-L492 HydrophobicContact CB-CG 4.07Å |
| 479 | I | 83 | Confident | 81.3 | Confident | 35.5 Ų | 35.5 | 43.8 Ų | 43.8 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.2 | -40.4 | 176.8 | -65.6 | 167.5 | 0 | 0 | 0 | 111.7 | W475 W477 L481 K482 C532 | W475-I479 HydrophobicContact CD2-CD1 4.21Å; W475-I479 HydrophobicContact CD2-CG1 4.49Å; W475-I479 VanDerWaalsContact CE2-CD1 3.49Å; W475-I479 HydrophobicContact CG-CD1 4.35Å; W475-I479 HydrophobicContact CZ2-CD1 3.83Å; W475-I479 HydrophobicContact CZ2-CG1 4.25Å; W475-I479 VanDerWaalsContact NE1-CD1 3.28Å; W475-I479 WeakPolarHBondContact O-CG1 3.39Å; W475-I479 PolarHBondContact O-N 3.11Å; W477-I479 VanDerWaalsContact C-N 3.3Å; W477-I479 PolarHBondContact O-N 3.08Å; I479-L481 VanDerWaalsContact C-N 3.26Å; I479-L481 PolarHBondContact O-N 3.02Å; I479-L481 VanDerWaalsContact O-N 3.15Å; I479-K482 VanDerWaalsContact O-CG 3.24Å; I479-K482 WeakPolarHBondContact O-CG 3.49Å; I479-C532 HydrophobicContact CD1-CB 4.04Å; I479-C532 VanDerWaalsContact CD1-SG 3.56Å; I479-C532 HydrophobicContact CG1-CB 4.19Å; I479-C532 HydrophobicContact CG2-CB 4.48Å |
| 480 | S | 75.2 | Confident | 81.4 | Confident | 69 Ų | 69 | 41.9 Ų | 41.9 | 48% | 0.483 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.9 | -21.6 | -175.2 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | D476 W477 K482 | D476-S480 WeakPolarHBondContact O-CB 3.29Å; D476-S480 PolarHBondContact O-N 3.13Å; D476-S480 PolarHBondContact O-OG 3.22Å; W477-S480 WeakPolarHBondContact CA-OG 3.46Å; W477-S480 PolarHBondContact O-N 3.43Å; W477-S480 VanDerWaalsContact O-N 3.14Å; W477-S480 PolarHBondContact O-OG 2.87Å; S480-K482 PolarHBondContact O-N 2.99Å; S480-K482 VanDerWaalsContact O-N 3.12Å |
| 481 | L | 63.5 | Low | 81.4 | Confident | 16.5 Ų | 16.5 | 41.9 Ų | 41.9 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | trans | -92.5 | 51.9 | -172.7 | -80.1 | 115.2 | 0 | 0 | 0 | 113.5 | W439 W477 I479 F483 S484 I487 M488 | W439-L481 HydrophobicContact CH2-CD2 4.48Å; W439-L481 HydrophobicContact CZ2-CD1 3.87Å; W439-L481 HydrophobicContact CZ2-CD2 4.09Å; W439-L481 HydrophobicContact CZ2-CG 4.41Å; W477-L481 WeakPolarHBondContact O-CD1 3.5Å; W477-L481 VanDerWaalsContact O-CG 3.31Å; W477-L481 WeakPolarHBondContact O-CG 3.24Å; W477-L481 PolarHBondContact O-N 3.26Å; I479-L481 VanDerWaalsContact C-N 3.26Å; I479-L481 PolarHBondContact O-N 3.02Å; I479-L481 VanDerWaalsContact O-N 3.15Å; L481-F483 PolarHBondContact O-N 3.27Å; L481-S484 PolarHBondContact O-N 2.93Å; L481-I487 HydrophobicContact CD1-CB 3.74Å; L481-I487 HydrophobicContact CD1-CG2 3.5Å; L481-I487 HydrophobicContact CD2-CB 3.95Å; L481-I487 HydrophobicContact CD2-CD1 4.13Å; L481-I487 HydrophobicContact CD2-CG1 4.28Å; L481-I487 HydrophobicContact CD2-CG2 3.91Å; L481-M488 HydrophobicContact CB-CB 4.41Å | ||
| 482 | K | 60.8 | Low | 81.4 | Confident | 122.5 Ų | 122.5 | 42.2 Ų | 42.2 | 53% | 0.533 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -15.1 | -176.4 | -63.2 | -169.3 | 178.7 | -169 | 0 | 116.5 | I479 S480 D529 | I479-K482 VanDerWaalsContact O-CG 3.24Å; I479-K482 WeakPolarHBondContact O-CG 3.49Å; S480-K482 PolarHBondContact O-N 2.99Å; S480-K482 VanDerWaalsContact O-N 3.12Å; K482-D529 IonicContact NZ-OD1 3.14Å; K482-D529 PolarHBondContact NZ-OD1 3.17Å |
| 483 | F | 53.2 | Low | 81.4 | Confident | 184 Ų | 184 | 47.5 Ų | 47.5 | 81% | 0.807 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | 1.6 | -177.6 | -55.5 | -69 | 0 | 0 | 0 | 115.4 | L481 T485 L616 | L481-F483 PolarHBondContact O-N 3.27Å; F483-T485 PolarHBondContact O-N 2.62Å; F483-L616 HydrophobicContact CD1-CD2 4.21Å; F483-L616 HydrophobicContact CE1-CD2 4.03Å |
| 484 | S | 69.9 | Low | 81.4 | Confident | 33.5 Ų | 33.5 | 48.1 Ų | 48.1 | 23% | 0.234 | 25% | 0.25 | C | S | . | . | trans | -119.9 | 89.3 | -178.4 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | L481 D486 I487 M488 | L481-S484 PolarHBondContact O-N 2.93Å; S484-D486 VanDerWaalsContact C-N 3.26Å; S484-D486 PolarHBondContact O-N 3.21Å; S484-I487 PolarHBondContact O-N 3.25Å; S484-I487 WeakPolarHBondContact OG-CG1 3.36Å; S484-M488 WeakPolarHBondContact O-CB 3.34Å; S484-M488 PolarHBondContact O-N 3.09Å; S484-M488 VanDerWaalsContact O-N 3.08Å | ||
| 485 | T | 75.9 | Confident | 81.5 | Confident | 84.5 Ų | 84.5 | 48.1 Ų | 48.1 | 52% | 0.518 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -51.7 | -41.8 | 179.8 | 41.4 | 0 | 0 | 0 | 0 | 113.1 | F483 M488 N489 | F483-T485 PolarHBondContact O-N 2.62Å; T485-M488 PolarHBondContact O-N 2.69Å; T485-N489 VanDerWaalsContact O-CB 3.3Å; T485-N489 WeakPolarHBondContact O-CB 3.33Å; T485-N489 PolarHBondContact O-N 3.32Å; T485-N489 PolarHBondContact O-ND2 3.02Å; T485-N489 VanDerWaalsContact O-ND2 3.11Å |
| 486 | D | 82 | Confident | 81.4 | Confident | 79.5 Ų | 79.5 | 48.3 Ų | 48.3 | 43% | 0.425 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.5 | -50.7 | -169.7 | -49.1 | -12.4 | 0 | 0 | 0 | 111.1 | K444 S484 M488 N489 A490 | K444-D486 IonicContact NZ-OD2 2.99Å; K444-D486 PolarHBondContact NZ-OD2 3.35Å; S484-D486 VanDerWaalsContact C-N 3.26Å; S484-D486 PolarHBondContact O-N 3.21Å; D486-M488 VanDerWaalsContact C-N 3.33Å; D486-M488 PolarHBondContact O-N 3.31Å; D486-N489 PolarHBondContact O-N 3.32Å; D486-A490 WeakPolarHBondContact O-CB 3.42Å; D486-A490 PolarHBondContact O-N 3.33Å |
| 487 | I | 84 | Confident | 81.5 | Confident | 4.5 Ų | 4.5 | 49.3 Ų | 49.3 | 2% | 0.023 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.2 | -36.7 | -179.5 | -49.4 | 174.6 | 0 | 0 | 0 | 109.9 | W439 K444 R447 I451 L481 S484 A490 S491 | W439-I487 HydrophobicContact CH2-CG2 3.69Å; W439-I487 HydrophobicContact CZ2-CG2 4.22Å; K444-I487 HydrophobicContact CB-CD1 4.28Å; K444-I487 HydrophobicContact CG-CD1 4.01Å; K444-I487 HydrophobicContact CG-CG1 4.27Å; R447-I487 HydrophobicContact CB-CD1 4.3Å; R447-I487 HydrophobicContact CB-CG2 4.22Å; I451-I487 HydrophobicContact CD1-CG2 3.8Å; L481-I487 HydrophobicContact CD1-CB 3.74Å; L481-I487 HydrophobicContact CD1-CG2 3.5Å; L481-I487 HydrophobicContact CD2-CB 3.95Å; L481-I487 HydrophobicContact CD2-CD1 4.13Å; L481-I487 HydrophobicContact CD2-CG1 4.28Å; L481-I487 HydrophobicContact CD2-CG2 3.91Å; S484-I487 PolarHBondContact O-N 3.25Å; S484-I487 WeakPolarHBondContact OG-CG1 3.36Å; I487-A490 PolarHBondContact O-N 3.14Å; I487-S491 PolarHBondContact O-N 3.19Å; I487-S491 PolarHBondContact O-OG 3.12Å |
| 488 | M | 85.5 | Confident | 81.4 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.6 | -51.1 | 171.7 | -179.9 | -165.2 | 70.1 | 0 | 0 | 110.6 | A478 L481 S484 T485 D486 A490 S491 L492 L534 P535 | A478-M488 HydrophobicContact CB-CG 4.5Å; L481-M488 HydrophobicContact CB-CB 4.41Å; S484-M488 WeakPolarHBondContact O-CB 3.34Å; S484-M488 PolarHBondContact O-N 3.09Å; S484-M488 VanDerWaalsContact O-N 3.08Å; T485-M488 PolarHBondContact O-N 2.69Å; D486-M488 VanDerWaalsContact C-N 3.33Å; D486-M488 PolarHBondContact O-N 3.31Å; M488-A490 VanDerWaalsContact C-N 3.28Å; M488-A490 PolarHBondContact O-N 3.21Å; M488-S491 PolarHBondContact O-N 3.28Å; M488-L492 HydrophobicContact CG-CD1 3.99Å; M488-L492 WeakPolarHBondContact O-CB 3.45Å; M488-L492 VanDerWaalsContact O-CG 3.23Å; M488-L492 WeakPolarHBondContact O-CG 3.35Å; M488-L492 PolarHBondContact O-N 3.05Å; M488-L534 HydrophobicContact CE-CD2 4.3Å; M488-L534 HydrophobicContact CE-CG 4.46Å; M488-L534 HydrophobicContact SD-CD2 4.44Å; M488-P535 HydrophobicContact CG-CG 4.42Å; M488-P535 HydrophobicContact SD-CG 3.97Å |
| 489 | N | 86.5 | Confident | 81.4 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 35% | 0.353 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -35.5 | 177 | -67.9 | -27.4 | 0 | 0 | 0 | 111.8 | T485 D486 K493 K538 | T485-N489 VanDerWaalsContact O-CB 3.3Å; T485-N489 WeakPolarHBondContact O-CB 3.33Å; T485-N489 PolarHBondContact O-N 3.32Å; T485-N489 PolarHBondContact O-ND2 3.02Å; T485-N489 VanDerWaalsContact O-ND2 3.11Å; D486-N489 PolarHBondContact O-N 3.32Å; N489-K493 WeakPolarHBondContact O-CB 3.47Å; N489-K493 PolarHBondContact O-N 2.95Å; N489-K538 PolarHBondContact OD1-NZ 3.17Å |
| 490 | A | 87.2 | Confident | 81.4 | Confident | 31.5 Ų | 31.5 | 49.7 Ų | 49.7 | 26% | 0.26 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.7 | -47.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I451 D486 I487 M488 L492 K493 S494 | I451-A490 HydrophobicContact CD1-CB 4.13Å; D486-A490 WeakPolarHBondContact O-CB 3.42Å; D486-A490 PolarHBondContact O-N 3.33Å; I487-A490 PolarHBondContact O-N 3.14Å; M488-A490 VanDerWaalsContact C-N 3.28Å; M488-A490 PolarHBondContact O-N 3.21Å; A490-L492 VanDerWaalsContact C-N 3.34Å; A490-L492 PolarHBondContact O-N 3.14Å; A490-K493 PolarHBondContact O-N 3.37Å; A490-S494 WeakPolarHBondContact O-CB 3.33Å; A490-S494 PolarHBondContact O-N 3.16Å; A490-S494 PolarHBondContact O-OG 3.06Å |
| 491 | S | 90.2 | Very high | 81.2 | Confident | 0.5 Ų | 0.5 | 47.9 Ų | 47.9 | 0% | 0.003 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 174.5 | -65.4 | 0 | 0 | 0 | 0 | 112 | I451 I487 M488 S494 H495 | I451-S491 VanDerWaalsContact CD1-OG 3.31Å; I451-S491 WeakPolarHBondContact CD1-OG 3.3Å; I487-S491 PolarHBondContact O-N 3.19Å; I487-S491 PolarHBondContact O-OG 3.12Å; M488-S491 PolarHBondContact O-N 3.28Å; S491-S494 PolarHBondContact O-N 2.95Å; S491-H495 VanDerWaalsContact O-CB 3.26Å; S491-H495 WeakPolarHBondContact O-CB 3.24Å; S491-H495 PolarHBondContact O-N 3.41Å |
| 492 | L | 89.8 | Confident | 81.2 | Confident | 5.5 Ų | 5.5 | 52 Ų | 52 | 3% | 0.029 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 178.7 | -65.2 | 175 | 0 | 0 | 0 | 112.1 | W475 A478 M488 A490 S494 H495 A496 P535 K538 Q539 | W475-L492 HydrophobicContact CE3-CD2 4.32Å; W475-L492 HydrophobicContact CZ3-CD2 4.07Å; A478-L492 HydrophobicContact CB-CD2 3.72Å; A478-L492 HydrophobicContact CB-CG 4.07Å; M488-L492 HydrophobicContact CG-CD1 3.99Å; M488-L492 WeakPolarHBondContact O-CB 3.45Å; M488-L492 VanDerWaalsContact O-CG 3.23Å; M488-L492 WeakPolarHBondContact O-CG 3.35Å; M488-L492 PolarHBondContact O-N 3.05Å; A490-L492 VanDerWaalsContact C-N 3.34Å; A490-L492 PolarHBondContact O-N 3.14Å; L492-S494 VanDerWaalsContact C-N 3.32Å; L492-S494 PolarHBondContact O-N 3.04Å; L492-H495 WeakPolarHBondContact O-CB 3.49Å; L492-H495 PolarHBondContact O-N 3.24Å; L492-A496 WeakPolarHBondContact O-CB 3.38Å; L492-A496 PolarHBondContact O-N 3.34Å; L492-P535 HydrophobicContact CD1-CB 4.26Å; L492-P535 HydrophobicContact CD2-CB 4.2Å; L492-K538 HydrophobicContact CD1-CB 4.39Å; L492-K538 HydrophobicContact CD1-CD 4.34Å; L492-Q539 VanDerWaalsContact CA-OE1 3.23Å; L492-Q539 VanDerWaalsContact CB-OE1 3.25Å; L492-Q539 HydrophobicContact CD2-CB 4.19Å; L492-Q539 HydrophobicContact CD2-CG 4.39Å; L492-Q539 PolarHBondContact O-OE1 3Å; L492-Q539 VanDerWaalsContact O-OE1 3.07Å |
| 493 | K | 90.3 | Very high | 81.4 | Confident | 160.5 Ų | 160.5 | 52.5 Ų | 52.5 | 70% | 0.698 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60 | -41.3 | 173.8 | -177.2 | -177.8 | 178.8 | -174.7 | 0 | 111.7 | N489 A490 A496 K497 | N489-K493 WeakPolarHBondContact O-CB 3.47Å; N489-K493 PolarHBondContact O-N 2.95Å; A490-K493 PolarHBondContact O-N 3.37Å; K493-A496 PolarHBondContact O-N 3.2Å; K493-K497 WeakPolarHBondContact O-CB 3.38Å; K493-K497 PolarHBondContact O-N 3.35Å |
| 494 | S | 89.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.8 | -39.8 | 176.1 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | I451 T455 A490 S491 L492 A496 K497 I498 | I451-S494 WeakPolarHBondContact CG2-OG 3.44Å; T455-S494 VanDerWaalsContact OG1-CB 3.26Å; T455-S494 WeakPolarHBondContact OG1-CB 3.48Å; T455-S494 PolarHBondContact OG1-OG 3.21Å; T455-S494 VanDerWaalsContact OG1-OG 3.1Å; A490-S494 WeakPolarHBondContact O-CB 3.33Å; A490-S494 PolarHBondContact O-N 3.16Å; A490-S494 PolarHBondContact O-OG 3.06Å; S491-S494 PolarHBondContact O-N 2.95Å; L492-S494 VanDerWaalsContact C-N 3.32Å; L492-S494 PolarHBondContact O-N 3.04Å; S494-A496 VanDerWaalsContact C-N 3.32Å; S494-A496 PolarHBondContact O-N 2.96Å; S494-K497 WeakPolarHBondContact O-CB 3.48Å; S494-K497 PolarHBondContact O-N 3.42Å; S494-K497 VanDerWaalsContact O-N 3.14Å; S494-I498 VanDerWaalsContact O-CG1 3.31Å; S494-I498 WeakPolarHBondContact O-CG1 3.43Å; S494-I498 PolarHBondContact O-N 3.13Å |
| 495 | H | 92.7 | Very high | 82.5 | Confident | 0.5 Ų | 0.5 | 51 Ų | 51 | 0% | 0.002 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 173 | -177.9 | -76.6 | 0 | 0 | 0 | 111.4 | L471 L474 S491 L492 L499 W514 Q539 | L471-H495 HydrophobicContact CD2-CB 4.29Å; L471-H495 VanDerWaalsContact CD2-CD2 3.46Å; L471-H495 WeakPolarHBondContact CD2-CD2 3.39Å; L471-H495 WeakPolarHBondContact CD2-O 3.49Å; L471-H495 PolarHBondContact O-CD2 2.87Å; L474-H495 HydrophobicContact CB-CB 4.32Å; L474-H495 HydrophobicContact CD1-CB 4.28Å; S491-H495 VanDerWaalsContact O-CB 3.26Å; S491-H495 WeakPolarHBondContact O-CB 3.24Å; S491-H495 PolarHBondContact O-N 3.41Å; L492-H495 WeakPolarHBondContact O-CB 3.49Å; L492-H495 PolarHBondContact O-N 3.24Å; H495-L499 WeakPolarHBondContact O-CG 3.32Å; H495-L499 PolarHBondContact O-N 3Å; H495-W514 AromaticContact CE1-CD2 3.85Å; H495-W514 AromaticContact CE1-CE3 3.86Å; H495-W514 AromaticContact NE2-CD2 3.61Å; H495-W514 AromaticContact NE2-CE2 3.66Å; H495-W514 AromaticContact NE2-CE3 3.68Å; H495-W514 AromaticContact NE2-CH2 3.88Å; H495-W514 AromaticContact NE2-CZ2 3.83Å; H495-W514 AromaticContact NE2-CZ3 3.8Å; H495-Q539 VanDerWaalsContact ND1-CD 3.31Å; H495-Q539 PolarHBondContact ND1-NE2 3.42Å |
| 496 | A | 89.3 | Confident | 82.6 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L492 K493 S494 I498 L499 S500 E542 | L492-A496 WeakPolarHBondContact O-CB 3.38Å; L492-A496 PolarHBondContact O-N 3.34Å; K493-A496 PolarHBondContact O-N 3.2Å; S494-A496 VanDerWaalsContact C-N 3.32Å; S494-A496 PolarHBondContact O-N 2.96Å; A496-I498 PolarHBondContact O-N 3.4Å; A496-L499 PolarHBondContact O-N 3.19Å; A496-S500 WeakPolarHBondContact O-CB 3.4Å; A496-S500 PolarHBondContact O-N 3.4Å; A496-E542 HydrophobicContact CB-CB 4.24Å; A496-E542 WeakPolarHBondContact CB-OE2 3.47Å |
| 497 | K | 88.5 | Confident | 82.4 | Confident | 96 Ų | 96 | 46.5 Ų | 46.5 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.3 | -51.7 | 178.1 | -169 | -169.4 | 177.2 | -143.4 | 0 | 111 | T455 E459 K493 S494 L499 S500 C501 | T455-K497 HydrophobicContact CG2-CD 4.05Å; E459-K497 WeakPolarHBondContact OE1-CD 3.38Å; E459-K497 WeakPolarHBondContact OE1-CE 3.31Å; E459-K497 WeakPolarHBondContact OE1-CG 3.09Å; E459-K497 IonicContact OE1-NZ 2.77Å; E459-K497 PolarHBondContact OE1-NZ 3.13Å; E459-K497 IonicContact OE2-NZ 2.68Å; E459-K497 PolarHBondContact OE2-NZ 2.92Å; K493-K497 WeakPolarHBondContact O-CB 3.38Å; K493-K497 PolarHBondContact O-N 3.35Å; S494-K497 WeakPolarHBondContact O-CB 3.48Å; S494-K497 PolarHBondContact O-N 3.42Å; S494-K497 VanDerWaalsContact O-N 3.14Å; K497-L499 VanDerWaalsContact C-N 3.31Å; K497-L499 PolarHBondContact O-N 3.41Å; K497-S500 WeakPolarHBondContact CA-OG 3.49Å; K497-S500 CarbonylContact O-C 3.57Å; K497-S500 WeakPolarHBondContact O-CA 3.38Å; K497-S500 WeakPolarHBondContact O-CB 3.41Å; K497-S500 PolarHBondContact O-N 3Å; K497-S500 PolarHBondContact O-OG 2.89Å; K497-C501 PolarHBondContact O-N 3.45Å; K497-C501 PolarHBondContact O-SG 3.3Å |
| 498 | I | 86.7 | Confident | 82.1 | Confident | 0.5 Ų | 0.5 | 48.5 Ų | 48.5 | 0% | 0.003 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.4 | -44 | 178.4 | -66.6 | 162.9 | 0 | 0 | 0 | 111.3 | T455 A458 M467 T470 L471 L474 S494 A496 S500 C501 | T455-I498 HydrophobicContact CG2-CD1 4.41Å; T455-I498 HydrophobicContact CG2-CG1 4.11Å; A458-I498 HydrophobicContact CB-CD1 3.86Å; A458-I498 HydrophobicContact CB-CG1 4.04Å; A458-I498 HydrophobicContact CB-CG2 3.98Å; M467-I498 HydrophobicContact CE-CG2 4.2Å; M467-I498 HydrophobicContact CG-CG2 3.52Å; M467-I498 VanDerWaalsContact CG-CG2 3.41Å; M467-I498 HydrophobicContact SD-CG2 4.02Å; T470-I498 HydrophobicContact CG2-CD1 3.61Å; T470-I498 VanDerWaalsContact CG2-CD1 3.5Å; L471-I498 HydrophobicContact CD1-CG2 4.21Å; L471-I498 HydrophobicContact CD2-CB 3.99Å; L471-I498 HydrophobicContact CD2-CD1 4.33Å; L471-I498 HydrophobicContact CD2-CG2 3.86Å; L471-I498 HydrophobicContact CG-CG2 4.15Å; L474-I498 HydrophobicContact CD1-CD1 3.48Å; L474-I498 VanDerWaalsContact CD1-CD1 3.45Å; S494-I498 VanDerWaalsContact O-CG1 3.31Å; S494-I498 WeakPolarHBondContact O-CG1 3.43Å; S494-I498 PolarHBondContact O-N 3.13Å; A496-I498 PolarHBondContact O-N 3.4Å; I498-S500 VanDerWaalsContact C-N 3.29Å; I498-S500 PolarHBondContact O-N 2.94Å; I498-C501 PolarHBondContact O-N 3.32Å |
| 499 | L | 84.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.4 | -24.4 | 176.2 | -73.2 | 171.4 | 0 | 0 | 0 | 113.2 | L471 H495 A496 K497 I507 L510 R511 W514 I543 L546 | L471-L499 HydrophobicContact CD1-CD1 4.49Å; L471-L499 HydrophobicContact CD1-CD2 3.7Å; L471-L499 HydrophobicContact CD1-CG 4.03Å; L471-L499 HydrophobicContact CD2-CD1 4.36Å; L471-L499 HydrophobicContact CD2-CG 4Å; H495-L499 WeakPolarHBondContact O-CG 3.32Å; H495-L499 PolarHBondContact O-N 3Å; A496-L499 PolarHBondContact O-N 3.19Å; K497-L499 VanDerWaalsContact C-N 3.31Å; K497-L499 PolarHBondContact O-N 3.41Å; L499-I507 WeakPolarHBondContact O-CG2 3.47Å; L499-L510 HydrophobicContact CD2-CB 4.17Å; L499-L510 HydrophobicContact CD2-CD2 4.4Å; L499-L510 HydrophobicContact CD2-CG 4.09Å; L499-R511 HydrophobicContact CB-CG 4.24Å; L499-R511 HydrophobicContact CD2-CG 4.06Å; L499-R511 VanDerWaalsContact O-CZ 3.26Å; L499-R511 PolarHBondContact O-NE 3.24Å; L499-R511 PolarHBondContact O-NH2 3.22Å; L499-W514 HydrophobicContact CD1-CB 4.26Å; L499-W514 HydrophobicContact CD1-CG 4.33Å; L499-I543 HydrophobicContact CD1-CD1 3.38Å; L499-I543 HydrophobicContact CD1-CG1 3.72Å; L499-I543 HydrophobicContact CD1-CG2 4.46Å; L499-L546 HydrophobicContact CB-CD1 3.9Å |
| 500 | S | 83.1 | Confident | 81.8 | Confident | 52.5 Ų | 52.5 | 51.2 Ų | 51.2 | 37% | 0.367 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -78 | -29.5 | 174.6 | 79.4 | 0 | 0 | 0 | 0 | 113.2 | A496 K497 I498 N502 | A496-S500 WeakPolarHBondContact O-CB 3.4Å; A496-S500 PolarHBondContact O-N 3.4Å; K497-S500 WeakPolarHBondContact CA-OG 3.49Å; K497-S500 CarbonylContact O-C 3.57Å; K497-S500 WeakPolarHBondContact O-CA 3.38Å; K497-S500 WeakPolarHBondContact O-CB 3.41Å; K497-S500 PolarHBondContact O-N 3Å; K497-S500 PolarHBondContact O-OG 2.89Å; I498-S500 VanDerWaalsContact C-N 3.29Å; I498-S500 PolarHBondContact O-N 2.94Å; S500-N502 PolarHBondContact O-N 3.3Å |
| 501 | C | 70.9 | Confident | 81.7 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -63.9 | 120.8 | -179.1 | -69.5 | 0 | 0 | 0 | 0 | 111.4 | E459 K497 I498 I507 | E459-C501 HydrophobicContact CG-CB 4.4Å; K497-C501 PolarHBondContact O-N 3.45Å; K497-C501 PolarHBondContact O-SG 3.3Å; I498-C501 PolarHBondContact O-N 3.32Å; C501-I507 WeakPolarHBondContact O-CD1 3.45Å |
| 502 | N | 62.9 | Low | 81.4 | Confident | 102 Ų | 102 | 52.3 Ų | 52.3 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | trans | 59.4 | 129.8 | 176.4 | -67.2 | -48.4 | 0 | 0 | 0 | 116.9 | S500 K504 I507 | S500-N502 PolarHBondContact O-N 3.3Å; N502-K504 HydrophobicContact CB-CD 4.47Å; N502-K504 HydrophobicContact CB-CG 4.18Å; N502-K504 PolarHBondContact O-N 3.13Å; N502-K504 VanDerWaalsContact O-N 3.07Å; N502-I507 HydrophobicContact CB-CD1 4.21Å | ||
| 503 | N | 64.9 | Low | 81.2 | Confident | 132.5 Ų | 132.5 | 55.8 Ų | 55.8 | 71% | 0.709 | 30% | 0.298 | S | S | * | . | trans | -80.7 | 42.3 | 169.9 | -71.6 | -21.6 | 0 | 0 | 0 | 112.6 | R511 | N503-R511 PolarHBondContact OD1-NH1 3.33Å; N503-R511 PolarHBondContact OD1-NH2 3.04Å | ||
| 504 | K | 72.8 | Confident | 81.1 | Confident | 76.5 Ų | 76.5 | 48.2 Ų | 48.2 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | trans | -63.8 | 141 | 168.8 | -74.8 | 179.6 | -179.6 | -179.6 | 0 | 108.9 | D461 T462 N502 F506 I507 C508 | D461-K504 PolarHBondContact O-NZ 3.43Å; T462-K504 PolarHBondContact O-NZ 3.12Å; N502-K504 HydrophobicContact CB-CD 4.47Å; N502-K504 HydrophobicContact CB-CG 4.18Å; N502-K504 PolarHBondContact O-N 3.13Å; N502-K504 VanDerWaalsContact O-N 3.07Å; K504-F506 VanDerWaalsContact C-N 3.28Å; K504-F506 PolarHBondContact O-N 3.12Å; K504-I507 HydrophobicContact CB-CB 4.47Å; K504-I507 HydrophobicContact CB-CD1 4.05Å; K504-I507 HydrophobicContact CB-CG1 4.05Å; K504-I507 HydrophobicContact CD-CD1 4.24Å; K504-I507 HydrophobicContact CG-CD1 4.39Å; K504-I507 PolarHBondContact O-N 3.08Å; K504-C508 PolarHBondContact O-N 3.3Å | ||
| 505 | P | 73.7 | Confident | 80.9 | Confident | 109 Ų | 109 | 47.6 Ų | 47.6 | 71% | 0.708 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.2 | -35.8 | -176.1 | 22.8 | -33.4 | 0 | 0 | 0 | 113.2 | I507 C508 Q509 | P505-I507 VanDerWaalsContact C-N 3.3Å; P505-I507 PolarHBondContact O-N 3.23Å; P505-C508 WeakPolarHBondContact O-CB 3.35Å; P505-C508 PolarHBondContact O-N 3.25Å; P505-Q509 WeakPolarHBondContact O-CG 3.37Å; P505-Q509 PolarHBondContact O-N 3.1Å |
| 506 | F | 78.1 | Confident | 80.6 | Confident | 68 Ų | 68 | 48.2 Ų | 48.2 | 30% | 0.298 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60 | -36.9 | 173 | 176 | -101 | 0 | 0 | 0 | 112.9 | G464 K504 Q509 L510 | G464-F506 VanDerWaalsContact CA-CE1 3.45Å; K504-F506 VanDerWaalsContact C-N 3.28Å; K504-F506 PolarHBondContact O-N 3.12Å; F506-Q509 WeakPolarHBondContact O-CB 3.35Å; F506-Q509 PolarHBondContact O-N 3.43Å; F506-L510 HydrophobicContact CD1-CD1 3.96Å; F506-L510 HydrophobicContact CD1-CD2 4.48Å; F506-L510 HydrophobicContact CD1-CG 4.16Å; F506-L510 HydrophobicContact CE1-CD1 3.4Å; F506-L510 VanDerWaalsContact CE1-CD1 3.4Å; F506-L510 HydrophobicContact CE1-CD2 3.93Å; F506-L510 HydrophobicContact CE1-CG 3.67Å; F506-L510 HydrophobicContact CZ-CD1 4.06Å; F506-L510 HydrophobicContact CZ-CD2 4.01Å; F506-L510 HydrophobicContact CZ-CG 3.9Å; F506-L510 VanDerWaalsContact O-CB 3.32Å; F506-L510 WeakPolarHBondContact O-CB 3.45Å; F506-L510 PolarHBondContact O-N 3.12Å |
| 507 | I | 78.8 | Confident | 80.5 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.9 | -36.7 | 180 | -58 | -179.6 | 0 | 0 | 0 | 109.9 | M467 L499 C501 N502 K504 P505 Q509 L510 R511 | M467-I507 HydrophobicContact CE-CD1 3.75Å; M467-I507 HydrophobicContact CE-CG1 4.35Å; M467-I507 HydrophobicContact SD-CD1 3.87Å; M467-I507 HydrophobicContact SD-CG1 3.82Å; L499-I507 WeakPolarHBondContact O-CG2 3.47Å; C501-I507 WeakPolarHBondContact O-CD1 3.45Å; N502-I507 HydrophobicContact CB-CD1 4.21Å; K504-I507 HydrophobicContact CB-CB 4.47Å; K504-I507 HydrophobicContact CB-CD1 4.05Å; K504-I507 HydrophobicContact CB-CG1 4.05Å; K504-I507 HydrophobicContact CD-CD1 4.24Å; K504-I507 HydrophobicContact CG-CD1 4.39Å; K504-I507 PolarHBondContact O-N 3.08Å; P505-I507 VanDerWaalsContact C-N 3.3Å; P505-I507 PolarHBondContact O-N 3.23Å; I507-Q509 VanDerWaalsContact C-N 3.3Å; I507-Q509 PolarHBondContact O-N 3.4Å; I507-L510 PolarHBondContact O-N 2.84Å; I507-R511 WeakPolarHBondContact O-CB 3.26Å; I507-R511 VanDerWaalsContact O-CG 3.27Å; I507-R511 WeakPolarHBondContact O-CG 3.37Å; I507-R511 PolarHBondContact O-N 3.13Å |
| 508 | C | 77.2 | Confident | 80.4 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 31% | 0.311 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -35.8 | 170.2 | -63 | 0 | 0 | 0 | 0 | 112.7 | K504 P505 S512 Y547 | K504-C508 PolarHBondContact O-N 3.3Å; P505-C508 WeakPolarHBondContact O-CB 3.35Å; P505-C508 PolarHBondContact O-N 3.25Å; C508-S512 PolarHBondContact O-N 3.18Å; C508-Y547 PolarHBondContact O-OH 3.18Å |
| 509 | Q | 81.6 | Confident | 80.2 | Confident | 125.5 Ų | 125.5 | 45.7 Ų | 45.7 | 59% | 0.586 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -67.2 | -46 | 170.8 | -122 | 176.4 | -7.1 | 0 | 0 | 111.3 | P505 F506 I507 R511 S512 V513 | P505-Q509 WeakPolarHBondContact O-CG 3.37Å; P505-Q509 PolarHBondContact O-N 3.1Å; F506-Q509 WeakPolarHBondContact O-CB 3.35Å; F506-Q509 PolarHBondContact O-N 3.43Å; I507-Q509 VanDerWaalsContact C-N 3.3Å; I507-Q509 PolarHBondContact O-N 3.4Å; Q509-R511 PolarHBondContact O-N 3.32Å; Q509-S512 WeakPolarHBondContact O-CA 3.3Å; Q509-S512 WeakPolarHBondContact O-CB 3.34Å; Q509-S512 PolarHBondContact O-N 3.23Å; Q509-V513 WeakPolarHBondContact O-CG2 3.45Å; Q509-V513 PolarHBondContact O-N 3.07Å |
| 510 | L | 84.2 | Confident | 80.1 | Confident | 7.5 Ų | 7.5 | 47.9 Ų | 47.9 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 178.3 | -124.7 | 117.9 | 0 | 0 | 0 | 112.2 | M467 Q468 L471 L499 F506 I507 S512 V513 W514 | M467-L510 HydrophobicContact CG-CD1 3.91Å; M467-L510 HydrophobicContact CG-CD2 4.05Å; M467-L510 HydrophobicContact SD-CD1 3.78Å; M467-L510 HydrophobicContact SD-CD2 4.01Å; Q468-L510 HydrophobicContact CB-CD2 4.36Å; Q468-L510 HydrophobicContact CG-CD2 4.36Å; L471-L510 HydrophobicContact CD1-CD1 3.99Å; L471-L510 HydrophobicContact CD1-CD2 3.67Å; L471-L510 HydrophobicContact CD1-CG 4.02Å; L499-L510 HydrophobicContact CD2-CB 4.17Å; L499-L510 HydrophobicContact CD2-CD2 4.4Å; L499-L510 HydrophobicContact CD2-CG 4.09Å; F506-L510 HydrophobicContact CD1-CD1 3.96Å; F506-L510 HydrophobicContact CD1-CD2 4.48Å; F506-L510 HydrophobicContact CD1-CG 4.16Å; F506-L510 HydrophobicContact CE1-CD1 3.4Å; F506-L510 VanDerWaalsContact CE1-CD1 3.4Å; F506-L510 HydrophobicContact CE1-CD2 3.93Å; F506-L510 HydrophobicContact CE1-CG 3.67Å; F506-L510 HydrophobicContact CZ-CD1 4.06Å; F506-L510 HydrophobicContact CZ-CD2 4.01Å; F506-L510 HydrophobicContact CZ-CG 3.9Å; F506-L510 VanDerWaalsContact O-CB 3.32Å; F506-L510 WeakPolarHBondContact O-CB 3.45Å; F506-L510 PolarHBondContact O-N 3.12Å; I507-L510 PolarHBondContact O-N 2.84Å; L510-S512 VanDerWaalsContact C-N 3.3Å; L510-S512 PolarHBondContact O-N 3.26Å; L510-V513 PolarHBondContact O-N 3.11Å; L510-W514 WeakPolarHBondContact O-CB 3.33Å; L510-W514 VanDerWaalsContact O-CD1 3.29Å; L510-W514 PolarHBondContact O-N 3.19Å |
| 511 | R | 86.1 | Confident | 80.1 | Confident | 11.5 Ų | 11.5 | 47.9 Ų | 47.9 | 4% | 0.043 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.7 | -45.3 | 171.8 | -72.1 | 173.3 | -164.4 | 163.5 | 9.2 | 111.3 | L499 N503 I507 Q509 W514 L515 I543 Y547 | L499-R511 HydrophobicContact CB-CG 4.24Å; L499-R511 HydrophobicContact CD2-CG 4.06Å; L499-R511 VanDerWaalsContact O-CZ 3.26Å; L499-R511 PolarHBondContact O-NE 3.24Å; L499-R511 PolarHBondContact O-NH2 3.22Å; N503-R511 PolarHBondContact OD1-NH1 3.33Å; N503-R511 PolarHBondContact OD1-NH2 3.04Å; I507-R511 WeakPolarHBondContact O-CB 3.26Å; I507-R511 VanDerWaalsContact O-CG 3.27Å; I507-R511 WeakPolarHBondContact O-CG 3.37Å; I507-R511 PolarHBondContact O-N 3.13Å; Q509-R511 PolarHBondContact O-N 3.32Å; R511-W514 PolarHBondContact O-N 3.42Å; R511-L515 WeakPolarHBondContact O-CG 3.3Å; R511-L515 PolarHBondContact O-N 3.13Å; R511-I543 HydrophobicContact CB-CG2 4.25Å; R511-I543 HydrophobicContact CG-CG2 4.45Å; R511-Y547 HydrophobicContact CB-CE2 3.76Å; R511-Y547 WeakPolarHBondContact CB-OH 3.43Å |
| 512 | S | 82.1 | Confident | 80.5 | Confident | 42.5 Ų | 42.5 | 46.5 Ų | 46.5 | 30% | 0.297 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.5 | -41.4 | 178.9 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | C508 Q509 L510 W514 L515 G516 Y547 | C508-S512 PolarHBondContact O-N 3.18Å; Q509-S512 WeakPolarHBondContact O-CA 3.3Å; Q509-S512 WeakPolarHBondContact O-CB 3.34Å; Q509-S512 PolarHBondContact O-N 3.23Å; L510-S512 VanDerWaalsContact C-N 3.3Å; L510-S512 PolarHBondContact O-N 3.26Å; S512-W514 VanDerWaalsContact C-N 3.34Å; S512-W514 PolarHBondContact O-N 2.63Å; S512-L515 PolarHBondContact O-N 3.17Å; S512-G516 PolarHBondContact O-N 3.06Å; S512-Y547 PolarHBondContact N-OH 3.18Å; S512-Y547 VanDerWaalsContact N-OH 3.12Å |
| 513 | V | 86.7 | Confident | 81.1 | Confident | 79 Ų | 79 | 47.1 Ų | 47.1 | 48% | 0.479 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | Q509 L510 G516 K517 | Q509-V513 WeakPolarHBondContact O-CG2 3.45Å; Q509-V513 PolarHBondContact O-N 3.07Å; L510-V513 PolarHBondContact O-N 3.11Å; V513-G516 PolarHBondContact O-N 3.35Å; V513-K517 VanDerWaalsContact O-CB 3.32Å; V513-K517 WeakPolarHBondContact O-CB 3.41Å; V513-K517 PolarHBondContact O-N 2.96Å |
| 514 | W | 88.8 | Confident | 81 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.5 | -40.6 | 177.5 | -85.2 | 104.2 | 0 | 0 | 0 | 113 | L471 D472 W475 H495 L499 L510 R511 S512 G516 K517 L518 I543 | L471-W514 HydrophobicContact CB-CZ2 3.68Å; D472-W514 WeakPolarHBondContact OD1-CH2 3.4Å; D472-W514 WeakPolarHBondContact OD1-CZ2 3.36Å; W475-W514 HydrophobicContact CB-CH2 3.71Å; W475-W514 HydrophobicContact CB-CZ3 4.01Å; W475-W514 AromaticContact CD1-CH2 3.95Å; W475-W514 AromaticContact CD1-CZ3 3.94Å; W475-W514 HydrophobicContact CD2-CH2 4.47Å; W475-W514 AromaticContact CD2-CZ3 3.96Å; W475-W514 HydrophobicContact CD2-CZ3 3.96Å; W475-W514 AromaticContact CG-CH2 3.8Å; W475-W514 HydrophobicContact CG-CH2 3.8Å; W475-W514 AromaticContact CG-CZ3 3.67Å; W475-W514 HydrophobicContact CG-CZ3 3.67Å; H495-W514 AromaticContact CE1-CD2 3.85Å; H495-W514 AromaticContact CE1-CE3 3.86Å; H495-W514 AromaticContact NE2-CD2 3.61Å; H495-W514 AromaticContact NE2-CE2 3.66Å; H495-W514 AromaticContact NE2-CE3 3.68Å; H495-W514 AromaticContact NE2-CH2 3.88Å; H495-W514 AromaticContact NE2-CZ2 3.83Å; H495-W514 AromaticContact NE2-CZ3 3.8Å; L499-W514 HydrophobicContact CD1-CB 4.26Å; L499-W514 HydrophobicContact CD1-CG 4.33Å; L510-W514 WeakPolarHBondContact O-CB 3.33Å; L510-W514 VanDerWaalsContact O-CD1 3.29Å; L510-W514 PolarHBondContact O-N 3.19Å; R511-W514 PolarHBondContact O-N 3.42Å; S512-W514 VanDerWaalsContact C-N 3.34Å; S512-W514 PolarHBondContact O-N 2.63Å; W514-G516 VanDerWaalsContact C-N 3.32Å; W514-G516 PolarHBondContact O-N 3.44Å; W514-K517 HydrophobicContact CD2-CD 4.15Å; W514-K517 HydrophobicContact CE3-CB 4.09Å; W514-K517 HydrophobicContact CE3-CD 3.8Å; W514-K517 HydrophobicContact CH2-CD 4.03Å; W514-K517 HydrophobicContact CZ2-CD 4.07Å; W514-K517 VanDerWaalsContact CZ2-NZ 3.28Å; W514-K517 HydrophobicContact CZ3-CB 4.42Å; W514-K517 HydrophobicContact CZ3-CD 3.74Å; W514-K517 PolarHBondContact O-N 3.13Å; W514-L518 VanDerWaalsContact O-CB 3.32Å; W514-L518 WeakPolarHBondContact O-CB 3.33Å; W514-L518 WeakPolarHBondContact O-CD1 3.1Å; W514-L518 WeakPolarHBondContact O-CG 3.36Å; W514-L518 PolarHBondContact O-N 2.78Å; W514-I543 HydrophobicContact CB-CD1 4.13Å |
| 515 | L | 85.5 | Confident | 80.1 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 171.1 | -72.7 | 177.1 | 0 | 0 | 0 | 111.9 | R511 S512 A519 F540 I543 A544 Y547 I561 | R511-L515 WeakPolarHBondContact O-CG 3.3Å; R511-L515 PolarHBondContact O-N 3.13Å; S512-L515 PolarHBondContact O-N 3.17Å; L515-A519 WeakPolarHBondContact O-CB 3.43Å; L515-A519 PolarHBondContact O-N 3.27Å; L515-F540 HydrophobicContact CB-CE2 4.44Å; L515-F540 HydrophobicContact CD2-CD1 4.44Å; L515-F540 HydrophobicContact CD2-CD2 3.87Å; L515-F540 HydrophobicContact CD2-CE1 4.46Å; L515-F540 HydrophobicContact CD2-CE2 3.93Å; L515-F540 HydrophobicContact CD2-CG 4.13Å; L515-F540 HydrophobicContact CD2-CZ 4.25Å; L515-I543 HydrophobicContact CD1-CG2 4.23Å; L515-I543 HydrophobicContact CD2-CB 3.92Å; L515-I543 HydrophobicContact CD2-CG2 3.83Å; L515-I543 HydrophobicContact CG-CB 4.39Å; L515-I543 HydrophobicContact CG-CG2 3.74Å; L515-A544 HydrophobicContact CD2-CB 4.39Å; L515-Y547 HydrophobicContact CD1-CD2 4.03Å; L515-Y547 HydrophobicContact CD1-CE2 3.56Å; L515-I561 HydrophobicContact CB-CD1 3.84Å; L515-I561 HydrophobicContact CD1-CD1 3.76Å; L515-I561 HydrophobicContact CG-CD1 4.41Å |
| 516 | G | 85.4 | Confident | 79.2 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S512 V513 W514 A519 S520 H565 | S512-G516 PolarHBondContact O-N 3.06Å; V513-G516 PolarHBondContact O-N 3.35Å; W514-G516 VanDerWaalsContact C-N 3.32Å; W514-G516 PolarHBondContact O-N 3.44Å; G516-A519 PolarHBondContact O-N 3.36Å; G516-S520 PolarHBondContact O-N 3.02Å; G516-H565 PolarHBondContact O-CE1 2.9Å; G516-H565 VanDerWaalsContact O-CE1 3.23Å; G516-H565 PolarHBondContact O-ND1 3.34Å |
| 517 | K | 86.5 | Confident | 77.9 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 24% | 0.239 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -48.6 | 175.1 | -121.2 | 177.1 | 175.5 | 179.8 | 0 | 111.3 | D472 V513 W514 A519 S520 F521 | D472-K517 IonicContact OD1-NZ 2.77Å; D472-K517 PolarHBondContact OD1-NZ 2.81Å; D472-K517 IonicContact OD2-NZ 3.2Å; V513-K517 VanDerWaalsContact O-CB 3.32Å; V513-K517 WeakPolarHBondContact O-CB 3.41Å; V513-K517 PolarHBondContact O-N 2.96Å; W514-K517 HydrophobicContact CD2-CD 4.15Å; W514-K517 HydrophobicContact CE3-CB 4.09Å; W514-K517 HydrophobicContact CE3-CD 3.8Å; W514-K517 HydrophobicContact CH2-CD 4.03Å; W514-K517 HydrophobicContact CZ2-CD 4.07Å; W514-K517 VanDerWaalsContact CZ2-NZ 3.28Å; W514-K517 HydrophobicContact CZ3-CB 4.42Å; W514-K517 HydrophobicContact CZ3-CD 3.74Å; W514-K517 PolarHBondContact O-N 3.13Å; K517-A519 VanDerWaalsContact C-N 3.34Å; K517-A519 PolarHBondContact O-N 3.02Å; K517-S520 CarbonylContact O-C 3.51Å; K517-S520 WeakPolarHBondContact O-CA 3.22Å; K517-S520 WeakPolarHBondContact O-CB 3.26Å; K517-S520 PolarHBondContact O-N 3Å; K517-S520 PolarHBondContact O-OG 3.44Å; K517-F521 HydrophobicContact CB-CD2 4.45Å; K517-F521 HydrophobicContact CB-CE2 4.05Å; K517-F521 HydrophobicContact CG-CE2 3.77Å; K517-F521 HydrophobicContact CG-CZ 4.19Å; K517-F521 VanDerWaalsContact O-CD2 3.28Å; K517-F521 WeakPolarHBondContact O-CD2 3.31Å; K517-F521 PolarHBondContact O-N 3.24Å |
| 518 | L | 86.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 175.9 | -67.7 | 166.3 | 0 | 0 | 0 | 111.5 | W475 W514 S520 F521 L522 A536 Q539 F540 I543 | W475-L518 HydrophobicContact CE3-CD2 4.31Å; W475-L518 HydrophobicContact CH2-CD2 3.36Å; W475-L518 HydrophobicContact CZ2-CD2 3.9Å; W475-L518 HydrophobicContact CZ3-CD2 3.58Å; W514-L518 VanDerWaalsContact O-CB 3.32Å; W514-L518 WeakPolarHBondContact O-CB 3.33Å; W514-L518 WeakPolarHBondContact O-CD1 3.1Å; W514-L518 WeakPolarHBondContact O-CG 3.36Å; W514-L518 PolarHBondContact O-N 2.78Å; L518-S520 VanDerWaalsContact C-N 3.27Å; L518-S520 PolarHBondContact O-N 3.21Å; L518-F521 PolarHBondContact O-N 3.36Å; L518-F521 VanDerWaalsContact O-N 3.15Å; L518-L522 WeakPolarHBondContact O-CG 3.42Å; L518-L522 PolarHBondContact O-N 3.18Å; L518-A536 HydrophobicContact CD2-CB 4.21Å; L518-Q539 HydrophobicContact CD1-CB 4.02Å; L518-Q539 HydrophobicContact CD1-CG 3.84Å; L518-Q539 HydrophobicContact CD2-CB 4.04Å; L518-Q539 HydrophobicContact CD2-CG 4.3Å; L518-F540 HydrophobicContact CB-CD2 4.12Å; L518-I543 HydrophobicContact CD1-CD1 3.68Å |
| 519 | A | 84 | Confident | 75.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -29.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L515 G516 K517 K523 F540 I561 H565 V567 | L515-A519 WeakPolarHBondContact O-CB 3.43Å; L515-A519 PolarHBondContact O-N 3.27Å; G516-A519 PolarHBondContact O-N 3.36Å; K517-A519 VanDerWaalsContact C-N 3.34Å; K517-A519 PolarHBondContact O-N 3.02Å; A519-K523 PolarHBondContact O-N 3.17Å; A519-F540 HydrophobicContact CB-CE2 4.27Å; A519-I561 HydrophobicContact CB-CG2 4.37Å; A519-H565 HydrophobicContact CB-CB 3.57Å; A519-V567 HydrophobicContact CB-CG2 3.67Å |
| 520 | S | 82.8 | Confident | 74.5 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.5 | -38.3 | 170.4 | 69.7 | 0 | 0 | 0 | 0 | 112.8 | G516 K517 L518 L522 K523 I524 | G516-S520 PolarHBondContact O-N 3.02Å; K517-S520 CarbonylContact O-C 3.51Å; K517-S520 WeakPolarHBondContact O-CA 3.22Å; K517-S520 WeakPolarHBondContact O-CB 3.26Å; K517-S520 PolarHBondContact O-N 3Å; K517-S520 PolarHBondContact O-OG 3.44Å; L518-S520 VanDerWaalsContact C-N 3.27Å; L518-S520 PolarHBondContact O-N 3.21Å; S520-L522 PolarHBondContact O-N 2.99Å; S520-K523 WeakPolarHBondContact O-CB 3.23Å; S520-K523 PolarHBondContact O-N 3.37Å; S520-I524 WeakPolarHBondContact O-CG1 3.47Å; S520-I524 PolarHBondContact O-N 3.36Å; S520-I524 VanDerWaalsContact O-N 3.12Å |
| 521 | F | 82.1 | Confident | 73.7 | Confident | 53.5 Ų | 53.5 | 52.8 Ų | 52.8 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -28.7 | 173.8 | -66.1 | -56.4 | 0 | 0 | 0 | 112.8 | W475 K517 L518 K523 I524 A536 | W475-F521 AromaticContact CE2-CD2 3.9Å; W475-F521 AromaticContact CE2-CE2 3.58Å; W475-F521 HydrophobicContact CH2-CD2 4.48Å; W475-F521 AromaticContact CZ2-CD2 3.49Å; W475-F521 HydrophobicContact CZ2-CD2 3.49Å; W475-F521 VanDerWaalsContact CZ2-CD2 3.44Å; W475-F521 AromaticContact CZ2-CE2 3.7Å; W475-F521 HydrophobicContact CZ2-CE2 3.7Å; W475-F521 AromaticContact CZ2-CG 4Å; W475-F521 HydrophobicContact CZ2-CG 4.17Å; W475-F521 AromaticContact NE1-CD2 3.78Å; W475-F521 AromaticContact NE1-CE2 3.14Å; W475-F521 AromaticContact NE1-CZ 3.42Å; W475-F521 VanDerWaalsContact NE1-CZ 3.33Å; K517-F521 HydrophobicContact CB-CD2 4.45Å; K517-F521 HydrophobicContact CB-CE2 4.05Å; K517-F521 HydrophobicContact CG-CE2 3.77Å; K517-F521 HydrophobicContact CG-CZ 4.19Å; K517-F521 VanDerWaalsContact O-CD2 3.28Å; K517-F521 WeakPolarHBondContact O-CD2 3.31Å; K517-F521 PolarHBondContact O-N 3.24Å; L518-F521 PolarHBondContact O-N 3.36Å; L518-F521 VanDerWaalsContact O-N 3.15Å; F521-K523 VanDerWaalsContact C-N 3.35Å; F521-I524 HydrophobicContact CD1-CD1 4.06Å; F521-A536 HydrophobicContact CB-CB 4.33Å |
| 522 | L | 79.3 | Confident | 73.3 | Confident | 2.5 Ų | 2.5 | 52.8 Ų | 52.8 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19.9 | 171 | -65.3 | 172.7 | 0 | 0 | 0 | 113.8 | L518 S520 L533 A536 F540 V567 A570 C574 L624 L627 | L518-L522 WeakPolarHBondContact O-CG 3.42Å; L518-L522 PolarHBondContact O-N 3.18Å; S520-L522 PolarHBondContact O-N 2.99Å; L522-L533 HydrophobicContact CD2-CD1 3.68Å; L522-A536 HydrophobicContact CD2-CB 4.11Å; L522-A536 HydrophobicContact CG-CB 4.15Å; L522-F540 HydrophobicContact CD1-CD2 4.49Å; L522-V567 HydrophobicContact CD1-CG1 3.83Å; L522-A570 HydrophobicContact CB-CB 4.22Å; L522-A570 WeakPolarHBondContact O-CB 3.44Å; L522-C574 PolarHBondContact O-SG 3.4Å; L522-C574 VanDerWaalsContact O-SG 3.4Å; L522-L624 HydrophobicContact CD2-CD2 4.41Å; L522-L627 HydrophobicContact CD1-CD2 3.79Å; L522-L627 HydrophobicContact CD2-CD2 4.45Å |
| 523 | K | 75.5 | Confident | 73.2 | Confident | 115 Ų | 115 | 51.5 Ų | 51.5 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -25.5 | 176.8 | -81.7 | -166.4 | -177.5 | -175.5 | 0 | 114.3 | A519 S520 F521 E525 H565 A570 | A519-K523 PolarHBondContact O-N 3.17Å; S520-K523 WeakPolarHBondContact O-CB 3.23Å; S520-K523 PolarHBondContact O-N 3.37Å; F521-K523 VanDerWaalsContact C-N 3.35Å; K523-E525 PolarHBondContact O-N 3.44Å; K523-H565 VanDerWaalsContact CE-C 3.43Å; K523-H565 WeakPolarHBondContact CE-O 3.27Å; K523-A570 HydrophobicContact CG-CB 4.3Å |
| 524 | I | 62.5 | Low | 72.9 | Confident | 76.5 Ų | 76.5 | 49.2 Ų | 49.2 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -64.4 | 134.3 | -173.3 | -71.8 | 168.9 | 0 | 0 | 0 | 109 | S520 F521 T528 | S520-I524 WeakPolarHBondContact O-CG1 3.47Å; S520-I524 PolarHBondContact O-N 3.36Å; S520-I524 VanDerWaalsContact O-N 3.12Å; F521-I524 HydrophobicContact CD1-CD1 4.06Å; I524-T528 WeakPolarHBondContact CG2-OG1 3.38Å |
| 525 | E | 55.1 | Low | 72.7 | Confident | 138 Ų | 138 | 49.2 Ų | 49.2 | 65% | 0.645 | 26% | 0.262 | S | S | * | . | trans | -56.5 | 131.9 | -179 | -67.1 | -169.7 | 149.9 | 0 | 0 | 110.4 | K523 N527 T528 | K523-E525 PolarHBondContact O-N 3.44Å; E525-N527 PolarHBondContact O-N 3.26Å; E525-T528 PolarHBondContact O-N 3.23Å; E525-T528 PolarHBondContact O-OG1 3.17Å | ||
| 526 | P | 53.5 | Low | 72.8 | Confident | 45.5 Ų | 45.5 | 49.2 Ų | 49.2 | 30% | 0.295 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -9.4 | -164.4 | 23.4 | -34.6 | 0 | 0 | 0 | 114.6 | T528 E530 Q577 | P526-T528 VanDerWaalsContact C-N 3.3Å; P526-T528 PolarHBondContact O-N 3.23Å; P526-E530 WeakPolarHBondContact O-CG 3.49Å; P526-Q577 HydrophobicContact CB-CG 3.98Å; P526-Q577 HydrophobicContact CG-CB 4.22Å; P526-Q577 HydrophobicContact CG-CG 3.76Å |
| 527 | N | 50.2 | Low | 72.8 | Confident | 130.5 Ų | 130.5 | 48.5 Ų | 48.5 | 70% | 0.698 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -15.7 | -178.3 | -60.5 | -24.6 | 0 | 0 | 0 | 114.2 | E525 | E525-N527 PolarHBondContact O-N 3.26Š|
| 528 | T | 52.2 | Low | 72.8 | Confident | 100.5 Ų | 100.5 | 47.9 Ų | 47.9 | 62% | 0.617 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -97.9 | -37.9 | -175.8 | 56.2 | 0 | 0 | 0 | 0 | 114.7 | I524 E525 P526 | I524-T528 WeakPolarHBondContact CG2-OG1 3.38Å; E525-T528 PolarHBondContact O-N 3.23Å; E525-T528 PolarHBondContact O-OG1 3.17Å; P526-T528 VanDerWaalsContact C-N 3.3Å; P526-T528 PolarHBondContact O-N 3.23Å |
| 529 | D | 55.3 | Low | 73 | Confident | 84 Ų | 84 | 47.9 Ų | 47.9 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | trans | -146 | 70 | 179.9 | -110.8 | -50.4 | 0 | 0 | 0 | 113.9 | K482 G531 C532 | K482-D529 IonicContact NZ-OD1 3.14Å; K482-D529 PolarHBondContact NZ-OD1 3.17Å; D529-G531 PolarHBondContact O-N 3.13Å; D529-G531 PolarHBondContact OD1-N 3.42Å; D529-C532 HydrophobicContact CB-CB 4.42Å; D529-C532 PolarHBondContact O-N 3.22Å; D529-C532 PolarHBondContact O-SG 3.05Å | ||
| 530 | E | 59.7 | Low | 73.2 | Confident | 94 Ų | 94 | 48 Ų | 48 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -19 | 179.6 | -88.2 | -160.6 | -175.4 | 0 | 0 | 116.2 | P526 Q617 K620 | P526-E530 WeakPolarHBondContact O-CG 3.49Å; E530-Q617 PolarHBondContact OE2-NE2 3.03Å; E530-K620 PolarHBondContact O-NZ 3.33Å; E530-K620 IonicContact OE2-NZ 2.64Å; E530-K620 PolarHBondContact OE2-NZ 3.22Å |
| 531 | G | 68.2 | Low | 73.4 | Confident | 17.5 Ų | 17.5 | 47.1 Ų | 47.1 | 18% | 0.18 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -25.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | D529 P535 | D529-G531 PolarHBondContact O-N 3.13Å; D529-G531 PolarHBondContact OD1-N 3.42Å; G531-P535 WeakPolarHBondContact O-CD 3.22Å |
| 532 | C | 78 | Confident | 73.6 | Confident | 11.5 Ų | 11.5 | 48.7 Ų | 48.7 | 8% | 0.078 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -77.6 | -26.4 | -173.4 | 2 | 0 | 0 | 0 | 0 | 113.7 | I479 D529 L534 P535 A536 | I479-C532 HydrophobicContact CD1-CB 4.04Å; I479-C532 VanDerWaalsContact CD1-SG 3.56Å; I479-C532 HydrophobicContact CG1-CB 4.19Å; I479-C532 HydrophobicContact CG2-CB 4.48Å; D529-C532 HydrophobicContact CB-CB 4.42Å; D529-C532 PolarHBondContact O-N 3.22Å; D529-C532 PolarHBondContact O-SG 3.05Å; C532-L534 PolarHBondContact O-N 3.28Å; C532-P535 WeakPolarHBondContact O-CD 3.23Å; C532-A536 VanDerWaalsContact O-CB 3.24Å; C532-A536 WeakPolarHBondContact O-CB 3.44Å; C532-A536 PolarHBondContact O-N 3.28Å |
| 533 | L | 78.8 | Confident | 73.9 | Confident | 16.5 Ų | 16.5 | 48.6 Ų | 48.6 | 9% | 0.086 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | -171.8 | -177.3 | 56.5 | 0 | 0 | 0 | 113.9 | L522 A536 A537 C574 T578 K620 L624 | L522-L533 HydrophobicContact CD2-CD1 3.68Å; L533-A536 PolarHBondContact O-N 3.11Å; L533-A537 WeakPolarHBondContact O-CB 3.41Å; L533-A537 PolarHBondContact O-N 3.18Å; L533-C574 HydrophobicContact CD1-CB 3.98Å; L533-C574 VanDerWaalsContact CD1-SG 3.58Å; L533-C574 HydrophobicContact CD2-CB 4.22Å; L533-T578 HydrophobicContact CD2-CG2 3.91Å; L533-K620 HydrophobicContact CD2-CD 4.45Å; L533-L624 HydrophobicContact CD1-CD1 4.31Å; L533-L624 HydrophobicContact CD1-CD2 3.92Å; L533-L624 HydrophobicContact CD2-CD1 4.17Å; L533-L624 HydrophobicContact CG-CD1 4.3Å |
| 534 | L | 80.9 | Confident | 74.3 | Confident | 29.5 Ų | 29.5 | 43.1 Ų | 43.1 | 15% | 0.154 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.2 | -48 | -178.8 | 172.4 | 66.1 | 0 | 0 | 0 | 112.6 | M488 C532 A536 K538 I619 K620 E623 | M488-L534 HydrophobicContact CE-CD2 4.3Å; M488-L534 HydrophobicContact CE-CG 4.46Å; M488-L534 HydrophobicContact SD-CD2 4.44Å; C532-L534 PolarHBondContact O-N 3.28Å; L534-A536 VanDerWaalsContact C-N 3.31Å; L534-A536 PolarHBondContact O-N 2.88Å; L534-K538 PolarHBondContact O-N 2.78Å; L534-I619 HydrophobicContact CD1-CG2 4.46Å; L534-K620 HydrophobicContact CB-CG 4.33Å; L534-E623 HydrophobicContact CD1-CB 4.01Å; L534-E623 HydrophobicContact CD1-CG 3.56Å |
| 535 | P | 84.8 | Confident | 75.3 | Confident | 2.5 Ų | 2.5 | 42.7 Ų | 42.7 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.1 | -45 | 165.7 | -28.8 | 35 | 0 | 0 | 0 | 113.3 | W475 M488 L492 G531 C532 K538 Q539 | W475-P535 HydrophobicContact CH2-CB 3.86Å; W475-P535 HydrophobicContact CZ3-CB 3.84Å; M488-P535 HydrophobicContact CG-CG 4.42Å; M488-P535 HydrophobicContact SD-CG 3.97Å; L492-P535 HydrophobicContact CD1-CB 4.26Å; L492-P535 HydrophobicContact CD2-CB 4.2Å; G531-P535 WeakPolarHBondContact O-CD 3.22Å; C532-P535 WeakPolarHBondContact O-CD 3.23Å; P535-K538 PolarHBondContact O-N 2.98Å; P535-Q539 VanDerWaalsContact O-CB 3.26Å; P535-Q539 WeakPolarHBondContact O-CB 3.49Å; P535-Q539 PolarHBondContact O-N 3.08Å |
| 536 | A | 86.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -46.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | W475 L518 F521 L522 C532 L533 L534 K538 Q539 F540 | W475-A536 HydrophobicContact CH2-CB 4.01Å; L518-A536 HydrophobicContact CD2-CB 4.21Å; F521-A536 HydrophobicContact CB-CB 4.33Å; L522-A536 HydrophobicContact CD2-CB 4.11Å; L522-A536 HydrophobicContact CG-CB 4.15Å; C532-A536 VanDerWaalsContact O-CB 3.24Å; C532-A536 WeakPolarHBondContact O-CB 3.44Å; C532-A536 PolarHBondContact O-N 3.28Å; L533-A536 PolarHBondContact O-N 3.11Å; L534-A536 VanDerWaalsContact C-N 3.31Å; L534-A536 PolarHBondContact O-N 2.88Å; A536-K538 VanDerWaalsContact C-N 3.34Å; A536-K538 PolarHBondContact O-N 3.01Å; A536-Q539 PolarHBondContact O-N 2.9Å; A536-F540 VanDerWaalsContact O-CB 3.29Å; A536-F540 WeakPolarHBondContact O-CB 3.35Å; A536-F540 PolarHBondContact O-N 3.17Å |
| 537 | A | 85.5 | Confident | 77.2 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L533 I541 L624 L627 | L533-A537 WeakPolarHBondContact O-CB 3.41Å; L533-A537 PolarHBondContact O-N 3.18Å; A537-I541 WeakPolarHBondContact O-CD1 3.2Å; A537-I541 WeakPolarHBondContact O-CG1 3.44Å; A537-I541 PolarHBondContact O-N 3.26Å; A537-L624 HydrophobicContact CB-CD2 3.92Å; A537-L624 HydrophobicContact CB-CG 4.45Å; A537-L627 HydrophobicContact CB-CD2 4.3Å |
| 538 | K | 87.5 | Confident | 77.7 | Confident | 41 Ų | 41 | 34.8 Ų | 34.8 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -53.8 | 175 | -74.6 | -179 | 168.4 | -176.4 | 0 | 112.1 | N489 L492 L534 P535 A536 F540 I541 E542 E623 | N489-K538 PolarHBondContact OD1-NZ 3.17Å; L492-K538 HydrophobicContact CD1-CB 4.39Å; L492-K538 HydrophobicContact CD1-CD 4.34Å; L534-K538 PolarHBondContact O-N 2.78Å; P535-K538 PolarHBondContact O-N 2.98Å; A536-K538 VanDerWaalsContact C-N 3.34Å; A536-K538 PolarHBondContact O-N 3.01Å; K538-F540 VanDerWaalsContact C-N 3.27Å; K538-F540 PolarHBondContact O-N 3.23Å; K538-I541 PolarHBondContact O-N 2.99Å; K538-I541 VanDerWaalsContact O-N 3.11Å; K538-E542 PolarHBondContact O-N 3.37Å; K538-E542 VanDerWaalsContact O-N 3.16Å; K538-E623 WeakPolarHBondContact CE-OE2 3.35Å; K538-E623 HydrophobicContact CG-CG 4.4Å |
| 539 | Q | 89.9 | Confident | 77.9 | Confident | 0.5 Ų | 0.5 | 35.6 Ų | 35.6 | 0% | 0.002 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.4 | -31 | -174.1 | -164.4 | 64.8 | 54.2 | 0 | 0 | 112.5 | W475 L492 H495 L518 P535 A536 E542 I543 | W475-Q539 HydrophobicContact CZ3-CB 4.28Å; W475-Q539 HydrophobicContact CZ3-CG 4.42Å; L492-Q539 VanDerWaalsContact CA-OE1 3.23Å; L492-Q539 VanDerWaalsContact CB-OE1 3.25Å; L492-Q539 HydrophobicContact CD2-CB 4.19Å; L492-Q539 HydrophobicContact CD2-CG 4.39Å; L492-Q539 PolarHBondContact O-OE1 3Å; L492-Q539 VanDerWaalsContact O-OE1 3.07Å; H495-Q539 VanDerWaalsContact ND1-CD 3.31Å; H495-Q539 PolarHBondContact ND1-NE2 3.42Å; L518-Q539 HydrophobicContact CD1-CB 4.02Å; L518-Q539 HydrophobicContact CD1-CG 3.84Å; L518-Q539 HydrophobicContact CD2-CB 4.04Å; L518-Q539 HydrophobicContact CD2-CG 4.3Å; P535-Q539 VanDerWaalsContact O-CB 3.26Å; P535-Q539 WeakPolarHBondContact O-CB 3.49Å; P535-Q539 PolarHBondContact O-N 3.08Å; A536-Q539 PolarHBondContact O-N 2.9Å; Q539-E542 PolarHBondContact O-N 3.48Å; Q539-I543 HydrophobicContact CG-CD1 3.73Å; Q539-I543 HydrophobicContact CG-CG1 4.28Å; Q539-I543 WeakPolarHBondContact O-CB 3.28Å; Q539-I543 WeakPolarHBondContact O-CG1 3.36Å; Q539-I543 PolarHBondContact O-N 2.81Å |
| 540 | F | 89.4 | Confident | 77.8 | Confident | 1.5 Ų | 1.5 | 34.9 Ų | 34.9 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 174.3 | -168.7 | -76.4 | 0 | 0 | 0 | 111.3 | L515 L518 A519 L522 A536 K538 A544 I561 V567 L627 L631 | L515-F540 HydrophobicContact CB-CE2 4.44Å; L515-F540 HydrophobicContact CD2-CD1 4.44Å; L515-F540 HydrophobicContact CD2-CD2 3.87Å; L515-F540 HydrophobicContact CD2-CE1 4.46Å; L515-F540 HydrophobicContact CD2-CE2 3.93Å; L515-F540 HydrophobicContact CD2-CG 4.13Å; L515-F540 HydrophobicContact CD2-CZ 4.25Å; L518-F540 HydrophobicContact CB-CD2 4.12Å; A519-F540 HydrophobicContact CB-CE2 4.27Å; L522-F540 HydrophobicContact CD1-CD2 4.49Å; A536-F540 VanDerWaalsContact O-CB 3.29Å; A536-F540 WeakPolarHBondContact O-CB 3.35Å; A536-F540 PolarHBondContact O-N 3.17Å; K538-F540 VanDerWaalsContact C-N 3.27Å; K538-F540 PolarHBondContact O-N 3.23Å; F540-A544 HydrophobicContact CD1-CB 4.48Å; F540-A544 HydrophobicContact CE1-CB 4.41Å; F540-A544 WeakPolarHBondContact O-CB 3.13Å; F540-A544 PolarHBondContact O-N 3.1Å; F540-I561 HydrophobicContact CE2-CG2 4.28Å; F540-I561 HydrophobicContact CZ-CG2 4.28Å; F540-V567 HydrophobicContact CD2-CG1 4.48Å; F540-V567 HydrophobicContact CE1-CG1 4.4Å; F540-V567 HydrophobicContact CE2-CG1 4.07Å; F540-V567 HydrophobicContact CE2-CG2 4.24Å; F540-V567 HydrophobicContact CZ-CG1 4.03Å; F540-V567 HydrophobicContact CZ-CG2 4.29Å; F540-L627 HydrophobicContact CB-CD1 4.22Å; F540-L627 HydrophobicContact CD1-CD1 3.48Å; F540-L627 VanDerWaalsContact CD1-CD1 3.48Å; F540-L627 HydrophobicContact CE1-CD1 4.18Å; F540-L627 HydrophobicContact CG-CD1 4.07Å; F540-L631 HydrophobicContact CE1-CD2 4.01Å; F540-L631 HydrophobicContact CZ-CD2 4.47Å |
| 541 | I | 86.2 | Confident | 77.6 | Confident | 27.5 Ų | 27.5 | 32.7 Ų | 32.7 | 14% | 0.141 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 176.3 | -60.8 | 165.2 | 0 | 0 | 0 | 110 | A537 K538 I543 A544 N545 K626 L627 Y630 | A537-I541 WeakPolarHBondContact O-CD1 3.2Å; A537-I541 WeakPolarHBondContact O-CG1 3.44Å; A537-I541 PolarHBondContact O-N 3.26Å; K538-I541 PolarHBondContact O-N 2.99Å; K538-I541 VanDerWaalsContact O-N 3.11Å; I541-I543 PolarHBondContact O-N 3.22Å; I541-A544 PolarHBondContact O-N 3.18Å; I541-N545 WeakPolarHBondContact CG2-ND2 3.42Å; I541-N545 WeakPolarHBondContact O-CB 3.35Å; I541-N545 PolarHBondContact O-N 2.96Å; I541-N545 PolarHBondContact O-ND2 3.31Å; I541-K626 HydrophobicContact CD1-CB 4.06Å; I541-L627 HydrophobicContact CD1-CB 4.15Å; I541-L627 HydrophobicContact CG1-CB 4.33Å; I541-L627 HydrophobicContact CG1-CD1 3.92Å; I541-Y630 HydrophobicContact CG1-CG 4.44Å; I541-Y630 HydrophobicContact CG2-CD2 4.09Å; I541-Y630 HydrophobicContact CG2-CE2 4.46Å; I541-Y630 HydrophobicContact CG2-CG 4.26Å |
| 542 | E | 86.3 | Confident | 76.9 | Confident | 87 Ų | 87 | 36.8 Ų | 36.8 | 41% | 0.407 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62 | -46.5 | -178.4 | -69 | -120.3 | 176.6 | 0 | 0 | 112.6 | A496 K538 Q539 N545 L546 | A496-E542 HydrophobicContact CB-CB 4.24Å; A496-E542 WeakPolarHBondContact CB-OE2 3.47Å; K538-E542 PolarHBondContact O-N 3.37Å; K538-E542 VanDerWaalsContact O-N 3.16Å; Q539-E542 PolarHBondContact O-N 3.48Å; E542-N545 PolarHBondContact O-N 3.32Å; E542-L546 PolarHBondContact O-N 3.22Å |
| 543 | I | 86.2 | Confident | 75.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.8 | -35.9 | 178.6 | -63 | 168.7 | 0 | 0 | 0 | 111.3 | L499 R511 W514 L515 L518 Q539 I541 N545 L546 Y547 | L499-I543 HydrophobicContact CD1-CD1 3.38Å; L499-I543 HydrophobicContact CD1-CG1 3.72Å; L499-I543 HydrophobicContact CD1-CG2 4.46Å; R511-I543 HydrophobicContact CB-CG2 4.25Å; R511-I543 HydrophobicContact CG-CG2 4.45Å; W514-I543 HydrophobicContact CB-CD1 4.13Å; L515-I543 HydrophobicContact CD1-CG2 4.23Å; L515-I543 HydrophobicContact CD2-CB 3.92Å; L515-I543 HydrophobicContact CD2-CG2 3.83Å; L515-I543 HydrophobicContact CG-CB 4.39Å; L515-I543 HydrophobicContact CG-CG2 3.74Å; L518-I543 HydrophobicContact CD1-CD1 3.68Å; Q539-I543 HydrophobicContact CG-CD1 3.73Å; Q539-I543 HydrophobicContact CG-CG1 4.28Å; Q539-I543 WeakPolarHBondContact O-CB 3.28Å; Q539-I543 WeakPolarHBondContact O-CG1 3.36Å; Q539-I543 PolarHBondContact O-N 2.81Å; I541-I543 PolarHBondContact O-N 3.22Å; I543-N545 VanDerWaalsContact C-N 3.3Å; I543-N545 PolarHBondContact O-N 2.74Å; I543-L546 WeakPolarHBondContact O-CB 3.37Å; I543-L546 PolarHBondContact O-N 3.32Å; I543-L546 VanDerWaalsContact O-N 3.07Å; I543-Y547 HydrophobicContact CG2-CE2 4.41Å; I543-Y547 WeakPolarHBondContact O-CD2 3.26Å |
| 544 | A | 83.6 | Confident | 74.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -32.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L515 F540 I541 L546 Y547 N548 I558 Y630 | L515-A544 HydrophobicContact CD2-CB 4.39Å; F540-A544 HydrophobicContact CD1-CB 4.48Å; F540-A544 HydrophobicContact CE1-CB 4.41Å; F540-A544 WeakPolarHBondContact O-CB 3.13Å; F540-A544 PolarHBondContact O-N 3.1Å; I541-A544 PolarHBondContact O-N 3.18Å; A544-L546 VanDerWaalsContact C-N 3.29Å; A544-L546 PolarHBondContact O-N 3.02Å; A544-Y547 WeakPolarHBondContact O-CB 3.48Å; A544-Y547 PolarHBondContact O-N 3.18Å; A544-N548 PolarHBondContact O-N 3.33Å; A544-I558 HydrophobicContact CB-CD1 4.11Å; A544-Y630 HydrophobicContact CB-CD1 4.39Å; A544-Y630 HydrophobicContact CB-CE1 3.42Å; A544-Y630 VanDerWaalsContact CB-CE1 3.45Å; A544-Y630 VanDerWaalsContact CB-OH 3.31Å; A544-Y630 WeakPolarHBondContact CB-OH 3.4Å; A544-Y630 PolarHBondContact O-OH 3.04Å; A544-Y630 VanDerWaalsContact O-OH 3.1Å |
| 545 | N | 82.7 | Confident | 74 | Confident | 68.5 Ų | 68.5 | 43.1 Ų | 43.1 | 37% | 0.366 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.2 | -28.2 | 171.2 | -80.4 | -51.1 | 0 | 0 | 0 | 113 | I541 E542 I543 Y547 N548 Y630 | I541-N545 WeakPolarHBondContact CG2-ND2 3.42Å; I541-N545 WeakPolarHBondContact O-CB 3.35Å; I541-N545 PolarHBondContact O-N 2.96Å; I541-N545 PolarHBondContact O-ND2 3.31Å; E542-N545 PolarHBondContact O-N 3.32Å; I543-N545 VanDerWaalsContact C-N 3.3Å; I543-N545 PolarHBondContact O-N 2.74Å; N545-Y547 PolarHBondContact O-N 2.99Å; N545-Y547 VanDerWaalsContact O-N 3.12Å; N545-N548 VanDerWaalsContact O-CB 3.3Å; N545-N548 WeakPolarHBondContact O-CB 3.3Å; N545-N548 PolarHBondContact O-N 2.9Å; N545-Y630 PolarHBondContact N-OH 2.91Å; N545-Y630 WeakPolarHBondContact ND2-CE2 3.42Å; N545-Y630 WeakPolarHBondContact OD1-CE2 3.29Å |
| 546 | L | 78.2 | Confident | 73.1 | Confident | 48.5 Ų | 48.5 | 46.5 Ų | 46.5 | 25% | 0.254 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.4 | 173.1 | -57.3 | 179.2 | 0 | 0 | 0 | 113.6 | L499 E542 I543 A544 | L499-L546 HydrophobicContact CB-CD1 3.9Å; E542-L546 PolarHBondContact O-N 3.22Å; I543-L546 WeakPolarHBondContact O-CB 3.37Å; I543-L546 PolarHBondContact O-N 3.32Å; I543-L546 VanDerWaalsContact O-N 3.07Å; A544-L546 VanDerWaalsContact C-N 3.29Å; A544-L546 PolarHBondContact O-N 3.02Å |
| 547 | Y | 71.1 | Confident | 72.3 | Confident | 25.5 Ų | 25.5 | 49.5 Ų | 49.5 | 10% | 0.1 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -6.7 | 169.9 | -71.7 | -85.4 | 0 | 0 | 0 | 113.1 | C508 R511 S512 L515 I543 A544 N545 T549 E554 L557 | C508-Y547 PolarHBondContact O-OH 3.18Å; R511-Y547 HydrophobicContact CB-CE2 3.76Å; R511-Y547 WeakPolarHBondContact CB-OH 3.43Å; S512-Y547 PolarHBondContact N-OH 3.18Å; S512-Y547 VanDerWaalsContact N-OH 3.12Å; L515-Y547 HydrophobicContact CD1-CD2 4.03Å; L515-Y547 HydrophobicContact CD1-CE2 3.56Å; I543-Y547 HydrophobicContact CG2-CE2 4.41Å; I543-Y547 WeakPolarHBondContact O-CD2 3.26Å; A544-Y547 WeakPolarHBondContact O-CB 3.48Å; A544-Y547 PolarHBondContact O-N 3.18Å; N545-Y547 PolarHBondContact O-N 2.99Å; N545-Y547 VanDerWaalsContact O-N 3.12Å; Y547-T549 PolarHBondContact O-N 3.04Å; Y547-E554 WeakPolarHBondContact O-CB 3.21Å; Y547-E554 WeakPolarHBondContact O-CG 3.36Å; Y547-E554 VanDerWaalsContact O-OE1 3.12Å; Y547-E554 VanDerWaalsContact O-OE2 3.12Å; Y547-L557 HydrophobicContact CD1-CD1 3.91Å; Y547-L557 HydrophobicContact CD1-CD2 4.15Å; Y547-L557 HydrophobicContact CD2-CD2 4.49Å; Y547-L557 HydrophobicContact CE1-CD1 3.88Å; Y547-L557 HydrophobicContact CE1-CD2 3.83Å; Y547-L557 HydrophobicContact CE2-CD2 4.19Å; Y547-L557 HydrophobicContact CG-CD2 4.45Å |
| 548 | N | 61.1 | Low | 71.9 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | trans | -93.6 | 63 | -168.8 | -162.1 | 9.8 | 0 | 0 | 0 | 111.5 | A544 N545 | A544-N548 PolarHBondContact O-N 3.33Å; N545-N548 VanDerWaalsContact O-CB 3.3Å; N545-N548 WeakPolarHBondContact O-CB 3.3Å; N545-N548 PolarHBondContact O-N 2.9Å | ||
| 549 | T | 56.3 | Low | 71.3 | Confident | 117.5 Ų | 117.5 | 51.1 Ų | 51.1 | 72% | 0.721 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -94.7 | 6.9 | -178.4 | 57.7 | 0 | 0 | 0 | 0 | 114 | Y547 E554 | Y547-T549 PolarHBondContact O-N 3.04Å; T549-E554 VanDerWaalsContact CA-OE1 3.31Å; T549-E554 WeakPolarHBondContact CA-OE1 3.4Å; T549-E554 WeakPolarHBondContact CB-OE1 3.42Å; T549-E554 VanDerWaalsContact N-CD 3.35Å; T549-E554 PolarHBondContact N-OE1 3.14Å; T549-E554 PolarHBondContact N-OE2 3.05Å; T549-E554 PolarHBondContact OG1-OE1 3.14Å; T549-E554 PolarHBondContact OG1-OE2 2.88Å |
| 550 | G | 52.1 | Low | 70.7 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 71% | 0.711 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 94 | 8.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E554 | G550-E554 PolarHBondContact N-OE1 3.47Å; G550-E554 VanDerWaalsContact N-OE1 3.16Å; G550-E554 PolarHBondContact N-OE2 3.37Å; G550-E554 VanDerWaalsContact N-OE2 3.09Å |
| 551 | S | 55.5 | Low | 70.1 | Confident | 48.5 Ų | 48.5 | 52.9 Ų | 52.9 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | trans | -90 | 133.3 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | N553 E554 | S551-N553 PolarHBondContact O-N 3.38Å; S551-N553 VanDerWaalsContact O-N 3.09Å; S551-E554 WeakPolarHBondContact CB-OE1 3.48Å; S551-E554 WeakPolarHBondContact CB-OE2 3.42Å; S551-E554 PolarHBondContact N-OE1 3.47Å; S551-E554 PolarHBondContact N-OE2 3.09Å; S551-E554 VanDerWaalsContact N-OE2 3.15Å; S551-E554 VanDerWaalsContact O-CB 3.28Å; S551-E554 WeakPolarHBondContact O-CB 3.25Å; S551-E554 VanDerWaalsContact O-CD 3.24Å; S551-E554 WeakPolarHBondContact O-CG 3.47Å; S551-E554 PolarHBondContact O-N 3.14Å | ||
| 552 | P | 54.7 | Low | 69.9 | Low | 103.5 Ų | 103.5 | 52.9 Ų | 52.9 | 67% | 0.672 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22 | -177.9 | 25.4 | -35.2 | 0 | 0 | 0 | 113.5 | E554 | P552-E554 PolarHBondContact O-N 3.18Š|
| 553 | N | 56.4 | Low | 69.5 | Low | 115.5 Ų | 115.5 | 56.4 Ų | 56.4 | 62% | 0.618 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.6 | -24.6 | 176.3 | -67.1 | -10.3 | 0 | 0 | 0 | 112.7 | S551 N555 T556 | S551-N553 PolarHBondContact O-N 3.38Å; S551-N553 VanDerWaalsContact O-N 3.09Å; N553-N555 PolarHBondContact O-N 3.46Å; N553-T556 WeakPolarHBondContact O-CB 3.41Å; N553-T556 PolarHBondContact O-N 3.33Å; N553-T556 VanDerWaalsContact O-N 3.14Å; N553-T556 PolarHBondContact O-OG1 3.2Å |
| 554 | E | 55.9 | Low | 69.3 | Low | 31.5 Ų | 31.5 | 63.6 Ų | 63.6 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.1 | -41.5 | -171.4 | -64 | 166.3 | 163.8 | 0 | 0 | 111.9 | Y547 T549 G550 S551 P552 T556 L557 | Y547-E554 WeakPolarHBondContact O-CB 3.21Å; Y547-E554 WeakPolarHBondContact O-CG 3.36Å; Y547-E554 VanDerWaalsContact O-OE1 3.12Å; Y547-E554 VanDerWaalsContact O-OE2 3.12Å; T549-E554 VanDerWaalsContact CA-OE1 3.31Å; T549-E554 WeakPolarHBondContact CA-OE1 3.4Å; T549-E554 WeakPolarHBondContact CB-OE1 3.42Å; T549-E554 VanDerWaalsContact N-CD 3.35Å; T549-E554 PolarHBondContact N-OE1 3.14Å; T549-E554 PolarHBondContact N-OE2 3.05Å; T549-E554 PolarHBondContact OG1-OE1 3.14Å; T549-E554 PolarHBondContact OG1-OE2 2.88Å; G550-E554 PolarHBondContact N-OE1 3.47Å; G550-E554 VanDerWaalsContact N-OE1 3.16Å; G550-E554 PolarHBondContact N-OE2 3.37Å; G550-E554 VanDerWaalsContact N-OE2 3.09Å; S551-E554 WeakPolarHBondContact CB-OE1 3.48Å; S551-E554 WeakPolarHBondContact CB-OE2 3.42Å; S551-E554 PolarHBondContact N-OE1 3.47Å; S551-E554 PolarHBondContact N-OE2 3.09Å; S551-E554 VanDerWaalsContact N-OE2 3.15Å; S551-E554 VanDerWaalsContact O-CB 3.28Å; S551-E554 WeakPolarHBondContact O-CB 3.25Å; S551-E554 VanDerWaalsContact O-CD 3.24Å; S551-E554 WeakPolarHBondContact O-CG 3.47Å; S551-E554 PolarHBondContact O-N 3.14Å; P552-E554 PolarHBondContact O-N 3.18Å; E554-T556 VanDerWaalsContact C-N 3.26Å; E554-T556 PolarHBondContact O-N 3.12Å; E554-L557 PolarHBondContact O-N 3.15Å |
| 555 | N | 63 | Low | 69 | Low | 42 Ų | 42 | 65.1 Ų | 65.1 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.4 | -32.3 | 174.4 | -81.3 | -33.2 | 0 | 0 | 0 | 112.3 | N553 L557 I558 Q559 C635 | N553-N555 PolarHBondContact O-N 3.46Å; N555-L557 VanDerWaalsContact C-N 3.31Å; N555-L557 PolarHBondContact O-N 3.16Å; N555-I558 PolarHBondContact O-N 2.96Å; N555-Q559 VanDerWaalsContact O-CB 3.28Å; N555-Q559 WeakPolarHBondContact O-CB 3.18Å; N555-Q559 WeakPolarHBondContact O-CG 3.24Å; N555-Q559 PolarHBondContact O-N 3.16Å; N555-C635 WeakPolarHBondContact OD1-CA 3.46Å; N555-C635 PolarHBondContact OD1-O 3.06Å |
| 556 | T | 66.3 | Low | 69.1 | Low | 75 Ų | 75 | 65.3 Ų | 65.3 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -32.3 | 179.7 | 77 | 0 | 0 | 0 | 0 | 112.4 | N553 E554 S560 | N553-T556 WeakPolarHBondContact O-CB 3.41Å; N553-T556 PolarHBondContact O-N 3.33Å; N553-T556 VanDerWaalsContact O-N 3.14Å; N553-T556 PolarHBondContact O-OG1 3.2Å; E554-T556 VanDerWaalsContact C-N 3.26Å; E554-T556 PolarHBondContact O-N 3.12Å; T556-S560 VanDerWaalsContact O-CB 3.27Å; T556-S560 WeakPolarHBondContact O-CB 3.31Å; T556-S560 PolarHBondContact O-N 3.09Å; T556-S560 PolarHBondContact O-OG 3.12Å |
| 557 | L | 71.2 | Confident | 69.4 | Low | 61 Ų | 61 | 63 Ų | 63 | 32% | 0.319 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.5 | -45.2 | 178.8 | -122 | 156.4 | 0 | 0 | 0 | 111.2 | Y547 E554 N555 Q559 S560 I561 | Y547-L557 HydrophobicContact CD1-CD1 3.91Å; Y547-L557 HydrophobicContact CD1-CD2 4.15Å; Y547-L557 HydrophobicContact CD2-CD2 4.49Å; Y547-L557 HydrophobicContact CE1-CD1 3.88Å; Y547-L557 HydrophobicContact CE1-CD2 3.83Å; Y547-L557 HydrophobicContact CE2-CD2 4.19Å; Y547-L557 HydrophobicContact CG-CD2 4.45Å; E554-L557 PolarHBondContact O-N 3.15Å; N555-L557 VanDerWaalsContact C-N 3.31Å; N555-L557 PolarHBondContact O-N 3.16Å; L557-Q559 VanDerWaalsContact C-N 3.33Å; L557-Q559 PolarHBondContact O-N 3.3Å; L557-S560 WeakPolarHBondContact O-CB 3.22Å; L557-S560 PolarHBondContact O-N 3.28Å; L557-S560 VanDerWaalsContact O-N 3.15Å; L557-S560 PolarHBondContact O-OG 2.9Å; L557-I561 HydrophobicContact CD2-CD1 3.63Å; L557-I561 HydrophobicContact CG-CD1 4.43Å; L557-I561 WeakPolarHBondContact O-CD1 3.22Å; L557-I561 VanDerWaalsContact O-CG1 3.3Å; L557-I561 WeakPolarHBondContact O-CG1 3.37Å; L557-I561 PolarHBondContact O-N 3.2Å |
| 558 | I | 75.9 | Confident | 70.1 | Confident | 5.5 Ų | 5.5 | 62 Ų | 62 | 3% | 0.028 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 176.7 | -58.1 | 175.7 | 0 | 0 | 0 | 110.4 | A544 N555 I561 N562 L631 C635 L637 | A544-I558 HydrophobicContact CB-CD1 4.11Å; N555-I558 PolarHBondContact O-N 2.96Å; I558-I561 PolarHBondContact O-N 3.4Å; I558-N562 PolarHBondContact O-N 3.21Å; I558-L631 HydrophobicContact CG2-CD2 4.15Å; I558-C635 HydrophobicContact CD1-CB 4.46Å; I558-C635 VanDerWaalsContact CD1-SG 3.55Å; I558-C635 HydrophobicContact CG2-CB 4.06Å; I558-L637 HydrophobicContact CG2-CD1 4.31Å |
| 559 | Q | 74.4 | Confident | 71.4 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 171.8 | -71.4 | 168.4 | 5.9 | 0 | 0 | 111.7 | N555 L557 I561 N562 Q563 C635 L637 | N555-Q559 VanDerWaalsContact O-CB 3.28Å; N555-Q559 WeakPolarHBondContact O-CB 3.18Å; N555-Q559 WeakPolarHBondContact O-CG 3.24Å; N555-Q559 PolarHBondContact O-N 3.16Å; L557-Q559 VanDerWaalsContact C-N 3.33Å; L557-Q559 PolarHBondContact O-N 3.3Å; Q559-I561 VanDerWaalsContact C-N 3.33Å; Q559-I561 PolarHBondContact O-N 3.26Å; Q559-N562 CarbonylContact O-C 3.38Å; Q559-N562 PolarHBondContact O-N 3.31Å; Q559-Q563 WeakPolarHBondContact O-CG 3.34Å; Q559-Q563 PolarHBondContact O-N 2.96Å; Q559-C635 PolarHBondContact NE2-O 3.01Å; Q559-L637 HydrophobicContact CG-CD1 4.19Å; Q559-L637 HydrophobicContact CG-CG 4.23Å |
| 560 | S | 77.4 | Confident | 72.8 | Confident | 35.5 Ų | 35.5 | 57.2 Ų | 57.2 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -36.2 | 175.7 | 10.6 | 0 | 0 | 0 | 0 | 112.8 | T556 L557 Q563 R564 | T556-S560 VanDerWaalsContact O-CB 3.27Å; T556-S560 WeakPolarHBondContact O-CB 3.31Å; T556-S560 PolarHBondContact O-N 3.09Å; T556-S560 PolarHBondContact O-OG 3.12Å; L557-S560 WeakPolarHBondContact O-CB 3.22Å; L557-S560 PolarHBondContact O-N 3.28Å; L557-S560 VanDerWaalsContact O-N 3.15Å; L557-S560 PolarHBondContact O-OG 2.9Å; S560-Q563 PolarHBondContact O-N 3.11Å; S560-R564 VanDerWaalsContact O-CB 3.28Å; S560-R564 WeakPolarHBondContact O-CB 3.4Å; S560-R564 PolarHBondContact O-N 2.97Å; S560-R564 VanDerWaalsContact O-N 3.11Å |
| 561 | I | 77.8 | Confident | 74.4 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 174.6 | -69.5 | 162.2 | 0 | 0 | 0 | 109.8 | L515 A519 F540 L557 I558 Q559 R564 H565 V567 | L515-I561 HydrophobicContact CB-CD1 3.84Å; L515-I561 HydrophobicContact CD1-CD1 3.76Å; L515-I561 HydrophobicContact CG-CD1 4.41Å; A519-I561 HydrophobicContact CB-CG2 4.37Å; F540-I561 HydrophobicContact CE2-CG2 4.28Å; F540-I561 HydrophobicContact CZ-CG2 4.28Å; L557-I561 HydrophobicContact CD2-CD1 3.63Å; L557-I561 HydrophobicContact CG-CD1 4.43Å; L557-I561 WeakPolarHBondContact O-CD1 3.22Å; L557-I561 VanDerWaalsContact O-CG1 3.3Å; L557-I561 WeakPolarHBondContact O-CG1 3.37Å; L557-I561 PolarHBondContact O-N 3.2Å; I558-I561 PolarHBondContact O-N 3.4Å; Q559-I561 VanDerWaalsContact C-N 3.33Å; Q559-I561 PolarHBondContact O-N 3.26Å; I561-R564 PolarHBondContact O-N 3.1Å; I561-H565 WeakPolarHBondContact O-CB 3.21Å; I561-H565 PolarHBondContact O-CD2 2.95Å; I561-H565 PolarHBondContact O-N 3.29Å; I561-V567 HydrophobicContact CG2-CG2 4.19Å |
| 562 | N | 81.7 | Confident | 76 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 15% | 0.15 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.3 | -34.5 | 173.5 | -169.7 | 72.5 | 0 | 0 | 0 | 113.3 | I558 Q559 R564 N566 V567 L568 L637 | I558-N562 PolarHBondContact O-N 3.21Å; Q559-N562 CarbonylContact O-C 3.38Å; Q559-N562 PolarHBondContact O-N 3.31Å; N562-R564 VanDerWaalsContact C-N 3.3Å; N562-R564 PolarHBondContact O-N 3.3Å; N562-N566 WeakPolarHBondContact O-CA 3.46Å; N562-N566 PolarHBondContact O-N 3.28Å; N562-V567 PolarHBondContact OD1-N 3.08Å; N562-L568 WeakPolarHBondContact OD1-CB 3.43Å; N562-L568 PolarHBondContact OD1-N 3.18Å; N562-L637 HydrophobicContact CB-CD2 3.44Å; N562-L637 WeakPolarHBondContact ND2-CD2 3.45Å |
| 563 | Q | 78.7 | Confident | 77.5 | Confident | 160 Ų | 160 | 49.4 Ų | 49.4 | 75% | 0.748 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.1 | -41.2 | 172.4 | -73.2 | 167.7 | -2.6 | 0 | 0 | 111.4 | Q559 S560 | Q559-Q563 WeakPolarHBondContact O-CG 3.34Å; Q559-Q563 PolarHBondContact O-N 2.96Å; S560-Q563 PolarHBondContact O-N 3.11Å |
| 564 | R | 81.2 | Confident | 78.9 | Confident | 151.5 Ų | 151.5 | 44.4 Ų | 44.4 | 57% | 0.572 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -77.5 | -36.2 | -179.2 | -171.8 | -177.1 | -55.8 | 102.3 | 6.6 | 113.7 | S560 I561 N562 | S560-R564 VanDerWaalsContact O-CB 3.28Å; S560-R564 WeakPolarHBondContact O-CB 3.4Å; S560-R564 PolarHBondContact O-N 2.97Å; S560-R564 VanDerWaalsContact O-N 3.11Å; I561-R564 PolarHBondContact O-N 3.1Å; N562-R564 VanDerWaalsContact C-N 3.3Å; N562-R564 PolarHBondContact O-N 3.3Å |
| 565 | H | 78.2 | Confident | 80.3 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 15% | 0.148 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -115.9 | -5.6 | -172.7 | -60.6 | -100.9 | 0 | 0 | 0 | 115 | G516 A519 K523 I561 V567 | G516-H565 PolarHBondContact O-CE1 2.9Å; G516-H565 VanDerWaalsContact O-CE1 3.23Å; G516-H565 PolarHBondContact O-ND1 3.34Å; A519-H565 HydrophobicContact CB-CB 3.57Å; K523-H565 VanDerWaalsContact CE-C 3.43Å; K523-H565 WeakPolarHBondContact CE-O 3.27Å; I561-H565 WeakPolarHBondContact O-CB 3.21Å; I561-H565 PolarHBondContact O-CD2 2.95Å; I561-H565 PolarHBondContact O-N 3.29Å; H565-V567 HydrophobicContact CB-CG2 3.92Å; H565-V567 PolarHBondContact O-N 3.39Å |
| 566 | N | 84.5 | Confident | 81.4 | Confident | 72.5 Ų | 72.5 | 42.8 Ų | 42.8 | 39% | 0.388 | 21% | 0.211 | S | C | . | . | trans | 43.2 | 48.3 | -176.1 | -156.6 | -6.1 | 0 | 0 | 0 | 112.9 | N562 L568 K569 A570 | N562-N566 WeakPolarHBondContact O-CA 3.46Å; N562-N566 PolarHBondContact O-N 3.28Å; N566-L568 PolarHBondContact O-N 3.11Å; N566-K569 HydrophobicContact CB-CB 4.37Å; N566-K569 VanDerWaalsContact CG-CB 3.47Å; N566-K569 PolarHBondContact O-N 3.21Å; N566-K569 VanDerWaalsContact OD1-CB 3.29Å; N566-K569 WeakPolarHBondContact OD1-CB 3.37Å; N566-K569 PolarHBondContact OD1-N 3.35Å; N566-A570 PolarHBondContact O-N 2.95Å | ||
| 567 | V | 84.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.8 | -38.4 | -173.7 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | A519 L522 F540 I561 N562 H565 A570 A571 L631 | A519-V567 HydrophobicContact CB-CG2 3.67Å; L522-V567 HydrophobicContact CD1-CG1 3.83Å; F540-V567 HydrophobicContact CD2-CG1 4.48Å; F540-V567 HydrophobicContact CE1-CG1 4.4Å; F540-V567 HydrophobicContact CE2-CG1 4.07Å; F540-V567 HydrophobicContact CE2-CG2 4.24Å; F540-V567 HydrophobicContact CZ-CG1 4.03Å; F540-V567 HydrophobicContact CZ-CG2 4.29Å; I561-V567 HydrophobicContact CG2-CG2 4.19Å; N562-V567 PolarHBondContact OD1-N 3.08Å; H565-V567 HydrophobicContact CB-CG2 3.92Å; H565-V567 PolarHBondContact O-N 3.39Å; V567-A570 PolarHBondContact O-N 3.25Å; V567-A571 WeakPolarHBondContact O-CB 3.24Å; V567-A571 PolarHBondContact O-N 3.02Å; V567-L631 HydrophobicContact CB-CD1 4.42Å; V567-L631 HydrophobicContact CG1-CD1 4.09Å |
| 568 | L | 85.7 | Confident | 82.7 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -48.7 | 175 | -179.5 | 116.2 | 0 | 0 | 0 | 111.7 | N562 N566 A571 V572 L628 L631 I632 L637 C639 L643 | N562-L568 WeakPolarHBondContact OD1-CB 3.43Å; N562-L568 PolarHBondContact OD1-N 3.18Å; N566-L568 PolarHBondContact O-N 3.11Å; L568-A571 PolarHBondContact O-N 2.78Å; L568-V572 WeakPolarHBondContact O-CG2 3.36Å; L568-V572 PolarHBondContact O-N 2.87Å; L568-V572 VanDerWaalsContact O-N 3.15Å; L568-L628 HydrophobicContact CD1-CD2 3.84Å; L568-L628 HydrophobicContact CG-CD2 4.37Å; L568-L631 HydrophobicContact CD1-CB 4.45Å; L568-I632 HydrophobicContact CD1-CD1 4.34Å; L568-I632 HydrophobicContact CD1-CG1 4.01Å; L568-L637 HydrophobicContact CB-CD2 4.5Å; L568-L637 HydrophobicContact CD1-CB 4.24Å; L568-C639 HydrophobicContact CD1-CB 4.18Å; L568-C639 HydrophobicContact CD2-CB 4.21Å; L568-L643 HydrophobicContact CD2-CD1 3.84Å; L568-L643 HydrophobicContact CG-CD1 4.45Å |
| 569 | K | 87.2 | Confident | 83.2 | Confident | 85 Ų | 85 | 39 Ų | 39 | 37% | 0.37 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 174.3 | -177.2 | -180 | 179.7 | -121.9 | 0 | 111.3 | N566 A571 V572 D573 L643 | N566-K569 HydrophobicContact CB-CB 4.37Å; N566-K569 VanDerWaalsContact CG-CB 3.47Å; N566-K569 PolarHBondContact O-N 3.21Å; N566-K569 VanDerWaalsContact OD1-CB 3.29Å; N566-K569 WeakPolarHBondContact OD1-CB 3.37Å; N566-K569 PolarHBondContact OD1-N 3.35Å; K569-A571 VanDerWaalsContact C-N 3.29Å; K569-A571 PolarHBondContact O-N 3.21Å; K569-V572 CarbonylContact O-C 3.6Å; K569-V572 WeakPolarHBondContact O-CA 3.45Å; K569-V572 WeakPolarHBondContact O-CB 3.16Å; K569-V572 PolarHBondContact O-N 3.03Å; K569-V572 VanDerWaalsContact O-N 3.08Å; K569-D573 WeakPolarHBondContact CE-OD1 3.36Å; K569-D573 WeakPolarHBondContact CE-OD2 3.44Å; K569-D573 VanDerWaalsContact CG-OD2 3.32Å; K569-D573 WeakPolarHBondContact CG-OD2 3.11Å; K569-D573 IonicContact NZ-OD1 2.85Å; K569-D573 PolarHBondContact NZ-OD1 3.18Å; K569-D573 IonicContact NZ-OD2 3.4Å; K569-D573 PolarHBondContact NZ-OD2 3.12Å; K569-D573 PolarHBondContact O-N 3.35Å; K569-L643 HydrophobicContact CB-CD1 3.89Å; K569-L643 HydrophobicContact CB-CD2 4.48Å; K569-L643 HydrophobicContact CD-CD2 4.42Å; K569-L643 HydrophobicContact CG-CD1 4.24Å; K569-L643 HydrophobicContact CG-CD2 4Å |
| 570 | A | 85.6 | Confident | 83.6 | Confident | 6.5 Ų | 6.5 | 37.9 Ų | 37.9 | 5% | 0.054 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.3 | -42.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L522 K523 N566 V567 C574 | L522-A570 HydrophobicContact CB-CB 4.22Å; L522-A570 WeakPolarHBondContact O-CB 3.44Å; K523-A570 HydrophobicContact CG-CB 4.3Å; N566-A570 PolarHBondContact O-N 2.95Å; V567-A570 PolarHBondContact O-N 3.25Å; A570-C574 WeakPolarHBondContact O-CB 3.36Å; A570-C574 PolarHBondContact O-N 3.06Å; A570-C574 PolarHBondContact O-SG 3.11Å |
| 571 | A | 87.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.4 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V567 L568 K569 I575 L624 L627 L628 | V567-A571 WeakPolarHBondContact O-CB 3.24Å; V567-A571 PolarHBondContact O-N 3.02Å; L568-A571 PolarHBondContact O-N 2.78Å; K569-A571 VanDerWaalsContact C-N 3.29Å; K569-A571 PolarHBondContact O-N 3.21Å; A571-I575 WeakPolarHBondContact O-CG1 3.31Å; A571-I575 PolarHBondContact O-N 3.19Å; A571-I575 VanDerWaalsContact O-N 3.09Å; A571-L624 HydrophobicContact CB-CD2 4.31Å; A571-L627 HydrophobicContact CB-CD2 4.02Å; A571-L628 HydrophobicContact CB-CD2 3.81Å; A571-L628 HydrophobicContact CB-CG 4.19Å |
| 572 | V | 87.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.2 | -49 | 173.4 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L568 K569 C574 I575 I576 L628 L643 I647 | L568-V572 WeakPolarHBondContact O-CG2 3.36Å; L568-V572 PolarHBondContact O-N 2.87Å; L568-V572 VanDerWaalsContact O-N 3.15Å; K569-V572 CarbonylContact O-C 3.6Å; K569-V572 WeakPolarHBondContact O-CA 3.45Å; K569-V572 WeakPolarHBondContact O-CB 3.16Å; K569-V572 PolarHBondContact O-N 3.03Å; K569-V572 VanDerWaalsContact O-N 3.08Å; V572-C574 VanDerWaalsContact C-N 3.27Å; V572-C574 PolarHBondContact O-N 2.91Å; V572-I575 WeakPolarHBondContact O-CB 3.45Å; V572-I575 PolarHBondContact O-N 3.09Å; V572-I575 VanDerWaalsContact O-N 3.07Å; V572-I576 HydrophobicContact CG1-CD1 3.72Å; V572-I576 HydrophobicContact CG1-CG1 4.4Å; V572-I576 WeakPolarHBondContact O-CG1 3.22Å; V572-I576 PolarHBondContact O-N 3.1Å; V572-L628 HydrophobicContact CG2-CD1 3.86Å; V572-L628 HydrophobicContact CG2-CD2 4.13Å; V572-L643 HydrophobicContact CB-CB 4.42Å; V572-L643 HydrophobicContact CB-CD2 4.28Å; V572-L643 HydrophobicContact CG1-CB 4.1Å; V572-L643 HydrophobicContact CG1-CD2 4.1Å; V572-L643 HydrophobicContact CG2-CB 4.12Å; V572-I647 HydrophobicContact CB-CG1 4.49Å; V572-I647 HydrophobicContact CG1-CG1 4.1Å; V572-I647 HydrophobicContact CG2-CD1 3.91Å; V572-I647 HydrophobicContact CG2-CG1 4.04Å |
| 573 | D | 86.2 | Confident | 84 | Confident | 57.5 Ų | 57.5 | 36.7 Ų | 36.7 | 31% | 0.307 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.7 | -42.4 | 176.9 | -65.4 | -18.6 | 0 | 0 | 0 | 110.3 | K569 I575 I576 Q577 | K569-D573 WeakPolarHBondContact CE-OD1 3.36Å; K569-D573 WeakPolarHBondContact CE-OD2 3.44Å; K569-D573 VanDerWaalsContact CG-OD2 3.32Å; K569-D573 WeakPolarHBondContact CG-OD2 3.11Å; K569-D573 IonicContact NZ-OD1 2.85Å; K569-D573 PolarHBondContact NZ-OD1 3.18Å; K569-D573 IonicContact NZ-OD2 3.4Å; K569-D573 PolarHBondContact NZ-OD2 3.12Å; K569-D573 PolarHBondContact O-N 3.35Å; D573-I575 PolarHBondContact O-N 2.64Å; D573-I576 PolarHBondContact O-N 3.15Å; D573-Q577 WeakPolarHBondContact O-CB 3.38Å; D573-Q577 VanDerWaalsContact O-CG 3.24Å; D573-Q577 WeakPolarHBondContact O-CG 3.46Å; D573-Q577 PolarHBondContact O-N 2.89Å |
| 574 | C | 85.5 | Confident | 84 | Confident | 9.5 Ų | 9.5 | 32.1 Ų | 32.1 | 6% | 0.064 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | 174.2 | -74.6 | 0 | 0 | 0 | 0 | 113.7 | L522 L533 A570 V572 T578 L624 | L522-C574 PolarHBondContact O-SG 3.4Å; L522-C574 VanDerWaalsContact O-SG 3.4Å; L533-C574 HydrophobicContact CD1-CB 3.98Å; L533-C574 VanDerWaalsContact CD1-SG 3.58Å; L533-C574 HydrophobicContact CD2-CB 4.22Å; A570-C574 WeakPolarHBondContact O-CB 3.36Å; A570-C574 PolarHBondContact O-N 3.06Å; A570-C574 PolarHBondContact O-SG 3.11Å; V572-C574 VanDerWaalsContact C-N 3.27Å; V572-C574 PolarHBondContact O-N 2.91Å; C574-T578 VanDerWaalsContact O-CB 3.25Å; C574-T578 WeakPolarHBondContact O-CB 3.35Å; C574-T578 WeakPolarHBondContact O-CG2 3.14Å; C574-T578 PolarHBondContact O-N 3.11Å; C574-T578 PolarHBondContact O-OG1 3.28Å; C574-L624 HydrophobicContact CB-CD1 3.91Å; C574-L624 HydrophobicContact CB-CD2 4.47Å |
| 575 | I | 86.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.7 | -47.4 | 174.6 | -72 | 167.7 | 0 | 0 | 0 | 110.1 | A571 V572 D573 Q577 T578 M579 V621 L624 L625 L628 | A571-I575 WeakPolarHBondContact O-CG1 3.31Å; A571-I575 PolarHBondContact O-N 3.19Å; A571-I575 VanDerWaalsContact O-N 3.09Å; V572-I575 WeakPolarHBondContact O-CB 3.45Å; V572-I575 PolarHBondContact O-N 3.09Å; V572-I575 VanDerWaalsContact O-N 3.07Å; D573-I575 PolarHBondContact O-N 2.64Å; I575-Q577 PolarHBondContact O-N 2.96Å; I575-T578 PolarHBondContact O-N 3.04Å; I575-T578 PolarHBondContact O-OG1 3.06Å; I575-M579 HydrophobicContact CG2-CG 4.34Å; I575-M579 WeakPolarHBondContact O-CB 3.35Å; I575-M579 WeakPolarHBondContact O-CG 3.29Å; I575-M579 PolarHBondContact O-N 3.47Å; I575-V621 HydrophobicContact CG2-CG1 4.25Å; I575-L624 HydrophobicContact CD1-CB 3.82Å; I575-L624 HydrophobicContact CG1-CB 3.56Å; I575-L624 HydrophobicContact CG1-CD1 3.9Å; I575-L624 HydrophobicContact CG1-CG 4.36Å; I575-L625 HydrophobicContact CD1-CD2 3.85Å; I575-L625 HydrophobicContact CD1-CG 4.12Å; I575-L628 HydrophobicContact CD1-CD1 3.49Å; I575-L628 VanDerWaalsContact CD1-CD1 3.49Å; I575-L628 HydrophobicContact CD1-CG 4.36Å |
| 576 | I | 86.5 | Confident | 84 | Confident | 40 Ų | 40 | 26.9 Ų | 26.9 | 21% | 0.205 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | -179.7 | -65 | 165.1 | 0 | 0 | 0 | 110.2 | V572 D573 M579 W580 | V572-I576 HydrophobicContact CG1-CD1 3.72Å; V572-I576 HydrophobicContact CG1-CG1 4.4Å; V572-I576 WeakPolarHBondContact O-CG1 3.22Å; V572-I576 PolarHBondContact O-N 3.1Å; D573-I576 PolarHBondContact O-N 3.15Å; I576-M579 PolarHBondContact O-N 2.94Å; I576-W580 HydrophobicContact CG2-CD2 4.29Å; I576-W580 VanDerWaalsContact CG2-CE2 3.48Å; I576-W580 HydrophobicContact CG2-CH2 4.35Å; I576-W580 HydrophobicContact CG2-CZ2 3.54Å; I576-W580 VanDerWaalsContact O-CG 3.32Å; I576-W580 PolarHBondContact O-N 3.14Å |
| 577 | Q | 83.5 | Confident | 83.7 | Confident | 52 Ų | 52 | 23.6 Ų | 23.6 | 24% | 0.243 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.9 | -42.1 | 179.1 | -118.9 | 116.7 | 2.8 | 0 | 0 | 112.6 | P526 D573 I575 M579 W580 S581 | P526-Q577 HydrophobicContact CB-CG 3.98Å; P526-Q577 HydrophobicContact CG-CB 4.22Å; P526-Q577 HydrophobicContact CG-CG 3.76Å; D573-Q577 WeakPolarHBondContact O-CB 3.38Å; D573-Q577 VanDerWaalsContact O-CG 3.24Å; D573-Q577 WeakPolarHBondContact O-CG 3.46Å; D573-Q577 PolarHBondContact O-N 2.89Å; I575-Q577 PolarHBondContact O-N 2.96Å; Q577-M579 VanDerWaalsContact C-N 3.32Å; Q577-M579 PolarHBondContact O-N 3.38Å; Q577-W580 HydrophobicContact CG-CE3 4.13Å; Q577-W580 HydrophobicContact CG-CZ3 4.1Å; Q577-W580 VanDerWaalsContact NE2-CE3 3.31Å; Q577-W580 WeakPolarHBondContact O-CB 3.36Å; Q577-W580 PolarHBondContact O-N 3.25Å; Q577-W580 VanDerWaalsContact O-N 3.15Å; Q577-S581 PolarHBondContact O-N 3.15Å; Q577-S581 VanDerWaalsContact O-N 3.13Å; Q577-S581 PolarHBondContact O-OG 3.26Å |
| 578 | T | 81.3 | Confident | 83.3 | Confident | 9.5 Ų | 9.5 | 26 Ų | 26 | 6% | 0.058 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 176.9 | -3.3 | 0 | 0 | 0 | 0 | 111.6 | L533 C574 I575 S581 V582 Q617 K620 V621 | L533-T578 HydrophobicContact CD2-CG2 3.91Å; C574-T578 VanDerWaalsContact O-CB 3.25Å; C574-T578 WeakPolarHBondContact O-CB 3.35Å; C574-T578 WeakPolarHBondContact O-CG2 3.14Å; C574-T578 PolarHBondContact O-N 3.11Å; C574-T578 PolarHBondContact O-OG1 3.28Å; I575-T578 PolarHBondContact O-N 3.04Å; I575-T578 PolarHBondContact O-OG1 3.06Å; T578-S581 PolarHBondContact O-N 3.45Å; T578-V582 VanDerWaalsContact O-CG2 3.29Å; T578-V582 WeakPolarHBondContact O-CG2 3.37Å; T578-V582 PolarHBondContact O-N 3Å; T578-V582 VanDerWaalsContact O-N 3.09Å; T578-Q617 HydrophobicContact CG2-CB 3.81Å; T578-Q617 HydrophobicContact CG2-CG 4.5Å; T578-Q617 WeakPolarHBondContact CG2-O 3.45Å; T578-K620 HydrophobicContact CG2-CB 4.44Å; T578-K620 HydrophobicContact CG2-CD 4.48Å; T578-V621 HydrophobicContact CG2-CG2 3.67Å; T578-V621 WeakPolarHBondContact OG1-CG2 3.46Å |
| 579 | M | 85.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.9 | -35 | 173.1 | -70.2 | -64 | 10 | 0 | 0 | 112.8 | I575 I576 Q577 V582 H583 L618 V621 S650 L651 D680 | I575-M579 HydrophobicContact CG2-CG 4.34Å; I575-M579 WeakPolarHBondContact O-CB 3.35Å; I575-M579 WeakPolarHBondContact O-CG 3.29Å; I575-M579 PolarHBondContact O-N 3.47Å; I576-M579 PolarHBondContact O-N 2.94Å; Q577-M579 VanDerWaalsContact C-N 3.32Å; Q577-M579 PolarHBondContact O-N 3.38Å; M579-V582 HydrophobicContact CE-CB 4.19Å; M579-V582 HydrophobicContact CE-CG1 4.18Å; M579-V582 HydrophobicContact CE-CG2 3.81Å; M579-V582 PolarHBondContact O-N 3.15Å; M579-H583 VanDerWaalsContact CE-CE1 3.46Å; M579-H583 WeakPolarHBondContact CE-CE1 3.33Å; M579-H583 WeakPolarHBondContact CE-NE2 3.34Å; M579-H583 WeakPolarHBondContact O-CB 3.22Å; M579-H583 PolarHBondContact O-CD2 3.18Å; M579-H583 VanDerWaalsContact O-CG 3.25Å; M579-H583 PolarHBondContact O-N 2.85Å; M579-L618 HydrophobicContact CE-CD1 3.89Å; M579-L618 HydrophobicContact SD-CD1 4.15Å; M579-V621 HydrophobicContact CE-CG2 3.7Å; M579-V621 HydrophobicContact CG-CG2 4.15Å; M579-V621 HydrophobicContact SD-CG1 4.41Å; M579-V621 HydrophobicContact SD-CG2 3.98Å; M579-S650 WeakPolarHBondContact CB-O 3.49Å; M579-L651 HydrophobicContact CE-CD2 4.22Å; M579-L651 HydrophobicContact CG-CD2 3.96Å; M579-L651 HydrophobicContact SD-CD2 3.67Å; M579-L651 VanDerWaalsContact SD-CD2 3.56Å; M579-D680 HydrophobicContact CE-CB 4.45Å |
| 580 | W | 82.6 | Confident | 82.1 | Confident | 49 Ų | 49 | 24.7 Ų | 24.7 | 19% | 0.186 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.3 | -47.7 | 170.4 | -127.7 | 5.7 | 0 | 0 | 0 | 111.4 | I576 Q577 V582 H583 E584 T655 F656 Q657 | I576-W580 HydrophobicContact CG2-CD2 4.29Å; I576-W580 VanDerWaalsContact CG2-CE2 3.48Å; I576-W580 HydrophobicContact CG2-CH2 4.35Å; I576-W580 HydrophobicContact CG2-CZ2 3.54Å; I576-W580 VanDerWaalsContact O-CG 3.32Å; I576-W580 PolarHBondContact O-N 3.14Å; Q577-W580 HydrophobicContact CG-CE3 4.13Å; Q577-W580 HydrophobicContact CG-CZ3 4.1Å; Q577-W580 VanDerWaalsContact NE2-CE3 3.31Å; Q577-W580 WeakPolarHBondContact O-CB 3.36Å; Q577-W580 PolarHBondContact O-N 3.25Å; Q577-W580 VanDerWaalsContact O-N 3.15Å; W580-V582 VanDerWaalsContact C-N 3.34Å; W580-V582 PolarHBondContact O-N 2.95Å; W580-H583 PolarHBondContact O-N 2.71Å; W580-H583 VanDerWaalsContact O-N 3.1Å; W580-E584 PolarHBondContact NE1-OE2 3.32Å; W580-E584 VanDerWaalsContact O-CB 3.3Å; W580-E584 WeakPolarHBondContact O-CB 3.28Å; W580-E584 PolarHBondContact O-N 3.21Å; W580-T655 VanDerWaalsContact CD1-OG1 3.3Å; W580-T655 PolarHBondContact NE1-OG1 3.27Å; W580-F656 AromaticContact CD1-CD1 3.73Å; W580-F656 AromaticContact NE1-CD1 3.9Å; W580-Q657 HydrophobicContact CD2-CB 4.17Å; W580-Q657 HydrophobicContact CE3-CB 3.86Å; W580-Q657 HydrophobicContact CE3-CG 3.96Å; W580-Q657 HydrophobicContact CH2-CB 3.42Å; W580-Q657 VanDerWaalsContact CH2-CB 3.42Å; W580-Q657 HydrophobicContact CH2-CG 4.28Å; W580-Q657 VanDerWaalsContact CH2-OE1 3.31Å; W580-Q657 HydrophobicContact CZ2-CB 3.86Å; W580-Q657 HydrophobicContact CZ3-CB 3.73Å; W580-Q657 HydrophobicContact CZ3-CG 4.04Å |
| 581 | S | 80.5 | Confident | 81.5 | Confident | 41 Ų | 41 | 27.6 Ų | 27.6 | 29% | 0.287 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57 | -42 | 175.6 | -113.5 | 0 | 0 | 0 | 0 | 112.3 | Q577 T578 E584 E585 Y613 | Q577-S581 PolarHBondContact O-N 3.15Å; Q577-S581 VanDerWaalsContact O-N 3.13Å; Q577-S581 PolarHBondContact O-OG 3.26Å; T578-S581 PolarHBondContact O-N 3.45Å; S581-E584 PolarHBondContact O-N 3.24Å; S581-E585 WeakPolarHBondContact O-CB 3.36Å; S581-E585 PolarHBondContact O-N 3.07Å; S581-E585 VanDerWaalsContact O-N 3.1Å; S581-Y613 PolarHBondContact OG-OH 3.24Å |
| 582 | V | 82 | Confident | 80.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 176.1 | 168.4 | 0 | 0 | 0 | 0 | 112 | T578 M579 W580 R586 Q617 | T578-V582 VanDerWaalsContact O-CG2 3.29Å; T578-V582 WeakPolarHBondContact O-CG2 3.37Å; T578-V582 PolarHBondContact O-N 3Å; T578-V582 VanDerWaalsContact O-N 3.09Å; M579-V582 HydrophobicContact CE-CB 4.19Å; M579-V582 HydrophobicContact CE-CG1 4.18Å; M579-V582 HydrophobicContact CE-CG2 3.81Å; M579-V582 PolarHBondContact O-N 3.15Å; W580-V582 VanDerWaalsContact C-N 3.34Å; W580-V582 PolarHBondContact O-N 2.95Å; V582-R586 VanDerWaalsContact CG1-NE 3.33Å; V582-R586 VanDerWaalsContact CG1-NH2 3.32Å; V582-R586 WeakPolarHBondContact O-CB 3.49Å; V582-R586 WeakPolarHBondContact O-CG 3.33Å; V582-R586 PolarHBondContact O-N 3.14Å; V582-R586 VanDerWaalsContact O-N 3.1Å; V582-Q617 HydrophobicContact CG2-CB 3.44Å; V582-Q617 VanDerWaalsContact CG2-CB 3.44Å; V582-Q617 HydrophobicContact CG2-CG 4.17Å |
| 583 | H | 83 | Confident | 79.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.8 | -39.4 | 179.8 | -68.6 | -40.6 | 0 | 0 | 0 | 111.7 | M579 W580 L587 S650 T655 F656 I675 | M579-H583 VanDerWaalsContact CE-CE1 3.46Å; M579-H583 WeakPolarHBondContact CE-CE1 3.33Å; M579-H583 WeakPolarHBondContact CE-NE2 3.34Å; M579-H583 WeakPolarHBondContact O-CB 3.22Å; M579-H583 PolarHBondContact O-CD2 3.18Å; M579-H583 VanDerWaalsContact O-CG 3.25Å; M579-H583 PolarHBondContact O-N 2.85Å; W580-H583 PolarHBondContact O-N 2.71Å; W580-H583 VanDerWaalsContact O-N 3.1Å; H583-L587 VanDerWaalsContact O-CB 3.22Å; H583-L587 WeakPolarHBondContact O-CB 3.24Å; H583-L587 PolarHBondContact O-N 3.38Å; H583-S650 PolarHBondContact NE2-O 3.12Å; H583-T655 PolarHBondContact CD2-O 3.38Å; H583-F656 HydrophobicContact CB-CD1 4.3Å; H583-F656 HydrophobicContact CB-CE1 4.03Å; H583-F656 HydrophobicContact CB-CZ 4.23Å; H583-I675 HydrophobicContact CB-CG2 3.85Å; H583-I675 WeakPolarHBondContact ND1-CG2 3.35Å |
| 584 | E | 79.5 | Confident | 78.4 | Confident | 64.5 Ų | 64.5 | 41.2 Ų | 41.2 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.3 | -43.7 | 176.6 | -179.3 | 166.2 | -179.7 | 0 | 0 | 112.2 | W580 S581 R586 L587 N588 F656 | W580-E584 PolarHBondContact NE1-OE2 3.32Å; W580-E584 VanDerWaalsContact O-CB 3.3Å; W580-E584 WeakPolarHBondContact O-CB 3.28Å; W580-E584 PolarHBondContact O-N 3.21Å; S581-E584 PolarHBondContact O-N 3.24Å; E584-R586 PolarHBondContact O-N 3.28Å; E584-L587 PolarHBondContact O-N 3Å; E584-N588 VanDerWaalsContact CG-ND2 3.3Å; E584-N588 WeakPolarHBondContact CG-ND2 3.31Å; E584-N588 VanDerWaalsContact O-CB 3.28Å; E584-N588 WeakPolarHBondContact O-CB 3.36Å; E584-N588 VanDerWaalsContact O-CG 3.25Å; E584-N588 PolarHBondContact O-N 3.21Å; E584-N588 PolarHBondContact O-ND2 3.2Å; E584-F656 HydrophobicContact CB-CE1 4.12Å |
| 585 | E | 77 | Confident | 77 | Confident | 49 Ų | 49 | 44.7 Ų | 44.7 | 23% | 0.229 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 175.3 | -130.7 | 128.5 | -171.5 | 0 | 0 | 111.6 | S581 N588 V589 H610 Y613 Q617 | S581-E585 WeakPolarHBondContact O-CB 3.36Å; S581-E585 PolarHBondContact O-N 3.07Å; S581-E585 VanDerWaalsContact O-N 3.1Å; E585-N588 PolarHBondContact O-N 3.19Å; E585-V589 WeakPolarHBondContact O-CG2 3.35Å; E585-V589 PolarHBondContact O-N 3.38Å; E585-H610 IonicContact OE1-CE1 2.71Å; E585-H610 PolarHBondContact OE1-CE1 2.82Å; E585-H610 IonicContact OE1-CG 3.14Å; E585-H610 IonicContact OE1-ND1 2.72Å; E585-H610 PolarHBondContact OE1-ND1 3.04Å; E585-Y613 HydrophobicContact CG-CD1 4.28Å; E585-Y613 HydrophobicContact CG-CE1 4.48Å; E585-Q617 PolarHBondContact OE1-NE2 3.45Å |
| 586 | R | 81.3 | Confident | 74.9 | Confident | 25.5 Ų | 25.5 | 51 Ų | 51 | 10% | 0.096 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.5 | -70.6 | 173.3 | -172.7 | 172.8 | 3.7 | 111.7 | V582 E584 V589 I590 I675 D680 | V582-R586 VanDerWaalsContact CG1-NE 3.33Å; V582-R586 VanDerWaalsContact CG1-NH2 3.32Å; V582-R586 WeakPolarHBondContact O-CB 3.49Å; V582-R586 WeakPolarHBondContact O-CG 3.33Å; V582-R586 PolarHBondContact O-N 3.14Å; V582-R586 VanDerWaalsContact O-N 3.1Å; E584-R586 PolarHBondContact O-N 3.28Å; R586-V589 PolarHBondContact O-N 3.06Å; R586-I590 WeakPolarHBondContact O-CD1 3.34Å; R586-I590 VanDerWaalsContact O-CG1 3.29Å; R586-I590 WeakPolarHBondContact O-CG1 3.36Å; R586-I590 PolarHBondContact O-N 3.09Å; R586-I675 WeakPolarHBondContact CD-O 3.33Å; R586-I675 PolarHBondContact NH1-O 3.3Å; R586-D680 IonicContact CZ-OD1 3.83Å; R586-D680 IonicContact CZ-OD2 3.22Å; R586-D680 IonicContact NH1-OD1 3.28Å; R586-D680 PolarHBondContact NH1-OD1 3.41Å; R586-D680 IonicContact NH1-OD2 2.76Å; R586-D680 PolarHBondContact NH1-OD2 3.02Å; R586-D680 IonicContact NH2-OD1 3.26Å; R586-D680 PolarHBondContact NH2-OD1 3.1Å; R586-D680 IonicContact NH2-OD2 3.23Å; R586-D680 PolarHBondContact NH2-OD2 3.36Å |
| 587 | L | 78.3 | Confident | 72.7 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -43 | 175.8 | -176.6 | 114.3 | 0 | 0 | 0 | 111.5 | H583 E584 V589 I590 I591 F656 I662 V668 I675 | H583-L587 VanDerWaalsContact O-CB 3.22Å; H583-L587 WeakPolarHBondContact O-CB 3.24Å; H583-L587 PolarHBondContact O-N 3.38Å; E584-L587 PolarHBondContact O-N 3Å; L587-V589 VanDerWaalsContact C-N 3.32Å; L587-V589 PolarHBondContact O-N 3.39Å; L587-I590 WeakPolarHBondContact O-CB 3.46Å; L587-I590 PolarHBondContact O-N 2.98Å; L587-I590 VanDerWaalsContact O-N 3.15Å; L587-I591 HydrophobicContact CD1-CD1 4.42Å; L587-I591 HydrophobicContact CD2-CD1 3.91Å; L587-I591 HydrophobicContact CD2-CG1 4.17Å; L587-I591 HydrophobicContact CG-CD1 4.18Å; L587-I591 WeakPolarHBondContact O-CG1 3.33Å; L587-I591 PolarHBondContact O-N 3.3Å; L587-F656 HydrophobicContact CB-CE1 4.3Å; L587-F656 HydrophobicContact CB-CZ 4.42Å; L587-F656 HydrophobicContact CD1-CE1 3.83Å; L587-F656 HydrophobicContact CD1-CE2 4.34Å; L587-F656 HydrophobicContact CD1-CZ 3.51Å; L587-F656 HydrophobicContact CD2-CE1 4.05Å; L587-F656 HydrophobicContact CD2-CZ 3.84Å; L587-I662 HydrophobicContact CD1-CD1 4.22Å; L587-I662 HydrophobicContact CD1-CG2 3.97Å; L587-I662 HydrophobicContact CD2-CD1 3.93Å; L587-I662 HydrophobicContact CD2-CG2 4.03Å; L587-V668 HydrophobicContact CD1-CG2 4.28Å; L587-I675 HydrophobicContact CD1-CD1 3.94Å; L587-I675 HydrophobicContact CD1-CG1 4.11Å |
| 588 | N | 76.5 | Confident | 70.4 | Confident | 52.5 Ų | 52.5 | 56.8 Ų | 56.8 | 28% | 0.281 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 176.5 | -80.9 | -44.7 | 0 | 0 | 0 | 112.4 | E584 E585 K592 | E584-N588 VanDerWaalsContact CG-ND2 3.3Å; E584-N588 WeakPolarHBondContact CG-ND2 3.31Å; E584-N588 VanDerWaalsContact O-CB 3.28Å; E584-N588 WeakPolarHBondContact O-CB 3.36Å; E584-N588 VanDerWaalsContact O-CG 3.25Å; E584-N588 PolarHBondContact O-N 3.21Å; E584-N588 PolarHBondContact O-ND2 3.2Å; E585-N588 PolarHBondContact O-N 3.19Å; N588-K592 WeakPolarHBondContact O-CB 3.43Å; N588-K592 WeakPolarHBondContact O-CD 3.46Å; N588-K592 VanDerWaalsContact O-CG 3.24Å; N588-K592 WeakPolarHBondContact O-CG 3.36Å; N588-K592 PolarHBondContact O-N 2.93Å |
| 589 | V | 74.7 | Confident | 68.3 | Low | 40 Ų | 40 | 67.4 Ų | 67.4 | 24% | 0.242 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 171.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | E585 R586 L587 I591 K592 N593 H610 | E585-V589 WeakPolarHBondContact O-CG2 3.35Å; E585-V589 PolarHBondContact O-N 3.38Å; R586-V589 PolarHBondContact O-N 3.06Å; L587-V589 VanDerWaalsContact C-N 3.32Å; L587-V589 PolarHBondContact O-N 3.39Å; V589-I591 VanDerWaalsContact C-N 3.32Å; V589-I591 PolarHBondContact O-N 3.27Å; V589-K592 PolarHBondContact O-N 3.36Å; V589-N593 WeakPolarHBondContact O-CB 3.38Å; V589-N593 PolarHBondContact O-N 3.37Å; V589-N593 PolarHBondContact O-ND2 2.93Å; V589-N593 PolarHBondContact O-OD1 3.32Å; V589-H610 HydrophobicContact CG2-CB 4.29Å |
| 590 | I | 73.6 | Confident | 65.9 | Low | 19.5 Ų | 19.5 | 72.4 Ų | 72.4 | 10% | 0.1 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 178.2 | -68.7 | 162 | 0 | 0 | 0 | 111.7 | R586 L587 Q594 F671 Q674 I675 | R586-I590 WeakPolarHBondContact O-CD1 3.34Å; R586-I590 VanDerWaalsContact O-CG1 3.29Å; R586-I590 WeakPolarHBondContact O-CG1 3.36Å; R586-I590 PolarHBondContact O-N 3.09Å; L587-I590 WeakPolarHBondContact O-CB 3.46Å; L587-I590 PolarHBondContact O-N 2.98Å; L587-I590 VanDerWaalsContact O-N 3.15Å; I590-Q594 WeakPolarHBondContact O-CG 3.4Å; I590-Q594 PolarHBondContact O-NE2 3.18Å; I590-F671 HydrophobicContact CD1-CB 4.48Å; I590-F671 HydrophobicContact CG2-CB 4.28Å; I590-F671 HydrophobicContact CG2-CD1 4.02Å; I590-F671 HydrophobicContact CG2-CD2 4.17Å; I590-F671 HydrophobicContact CG2-CE1 4.35Å; I590-F671 HydrophobicContact CG2-CE2 4.48Å; I590-F671 HydrophobicContact CG2-CG 3.88Å; I590-Q674 HydrophobicContact CD1-CB 3.75Å; I590-I675 HydrophobicContact CD1-CG1 3.98Å |
| 591 | I | 73.2 | Confident | 63.7 | Low | 68.5 Ų | 68.5 | 75.7 Ų | 75.7 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.8 | -48.2 | 176.4 | -69 | 175.2 | 0 | 0 | 0 | 111.2 | L587 V589 N593 Q594 S595 I662 | L587-I591 HydrophobicContact CD1-CD1 4.42Å; L587-I591 HydrophobicContact CD2-CD1 3.91Å; L587-I591 HydrophobicContact CD2-CG1 4.17Å; L587-I591 HydrophobicContact CG-CD1 4.18Å; L587-I591 WeakPolarHBondContact O-CG1 3.33Å; L587-I591 PolarHBondContact O-N 3.3Å; V589-I591 VanDerWaalsContact C-N 3.32Å; V589-I591 PolarHBondContact O-N 3.27Å; I591-N593 VanDerWaalsContact C-N 3.25Å; I591-N593 PolarHBondContact O-N 3.37Å; I591-Q594 PolarHBondContact O-N 3.15Å; I591-S595 PolarHBondContact O-N 2.96Å; I591-S595 PolarHBondContact O-OG 2.85Å; I591-I662 HydrophobicContact CD1-CG2 4.36Å |
| 592 | K | 71.7 | Confident | 61.6 | Low | 111.5 Ų | 111.5 | 78 Ų | 78 | 49% | 0.485 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.6 | -35.3 | 178.2 | -74.4 | 167.3 | -174.8 | 171.7 | 0 | 112.5 | N588 V589 Q594 S595 | N588-K592 WeakPolarHBondContact O-CB 3.43Å; N588-K592 WeakPolarHBondContact O-CD 3.46Å; N588-K592 VanDerWaalsContact O-CG 3.24Å; N588-K592 WeakPolarHBondContact O-CG 3.36Å; N588-K592 PolarHBondContact O-N 2.93Å; V589-K592 PolarHBondContact O-N 3.36Å; K592-Q594 VanDerWaalsContact C-N 3.28Å; K592-Q594 PolarHBondContact O-N 3.37Å; K592-S595 PolarHBondContact O-N 3.1Å; K592-S595 PolarHBondContact O-OG 2.9Å |
| 593 | N | 62.7 | Low | 59.5 | Low | 121.5 Ų | 121.5 | 85.2 Ų | 85.2 | 65% | 0.65 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -72 | -14.3 | 177.1 | -68.6 | -9.8 | 0 | 0 | 0 | 113.8 | V589 I591 | V589-N593 WeakPolarHBondContact O-CB 3.38Å; V589-N593 PolarHBondContact O-N 3.37Å; V589-N593 PolarHBondContact O-ND2 2.93Å; V589-N593 PolarHBondContact O-OD1 3.32Å; I591-N593 VanDerWaalsContact C-N 3.25Å; I591-N593 PolarHBondContact O-N 3.37Å |
| 594 | Q | 60.6 | Low | 57.5 | Low | 110.5 Ų | 110.5 | 89.9 Ų | 89.9 | 52% | 0.516 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -99.9 | -22.2 | 177.6 | -75.1 | 172.4 | 61.7 | 0 | 0 | 113.4 | I590 I591 K592 F671 | I590-Q594 WeakPolarHBondContact O-CG 3.4Å; I590-Q594 PolarHBondContact O-NE2 3.18Å; I591-Q594 PolarHBondContact O-N 3.15Å; K592-Q594 VanDerWaalsContact C-N 3.28Å; K592-Q594 PolarHBondContact O-N 3.37Å; Q594-F671 VanDerWaalsContact OE1-CZ 3.32Å |
| 595 | S | 56.4 | Low | 55.7 | Low | 82 Ų | 82 | 92 Ų | 92 | 57% | 0.573 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -89.3 | -1.9 | -175.1 | 58.2 | 0 | 0 | 0 | 0 | 115.4 | I591 K592 P597 | I591-S595 PolarHBondContact O-N 2.96Å; I591-S595 PolarHBondContact O-OG 2.85Å; K592-S595 PolarHBondContact O-N 3.1Å; K592-S595 PolarHBondContact O-OG 2.9Å; S595-P597 WeakPolarHBondContact O-CD 3.46Å |
| 596 | I | 43.1 | Very low | 54.1 | Low | 131.5 Ų | 131.5 | 93.8 Ų | 93.8 | 67% | 0.674 | 52% | 0.519 | S | S | * | . | trans | -124.9 | 81.8 | -177.1 | -48.1 | 177.3 | 0 | 0 | 0 | 112.3 | ||||
| 597 | P | 39.4 | Very low | 52.2 | Low | 106.5 Ų | 106.5 | 97 Ų | 97 | 69% | 0.692 | 54% | 0.542 | S | S | * | . | trans | -77.7 | 124.5 | 162.1 | 10.6 | -1 | 0 | 0 | 0 | 110.9 | S595 | S595-P597 WeakPolarHBondContact O-CD 3.46Š| ||
| 598 | S | 36.5 | Very low | 50.8 | Low | 107.5 Ų | 107.5 | 99.5 Ų | 99.5 | 75% | 0.752 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 59.4 | 93.2 | 163.7 | 64.8 | 0 | 0 | 0 | 0 | 119.4 | ||
| 599 | R | 36.2 | Very low | 49.6 | Very low | 232 Ų | 232 | 103.1 Ų | 103.1 | 88% | 0.875 | 57% | 0.573 | S | S | * | * | -176.6 | 149.9 | 115.8 | -101.6 | 171.2 | 175.1 | 177 | -1.7 | 113.3 | |||||
| 600 | S | 35 | Very low | 48.5 | Very low | 105 Ų | 105 | 104.5 Ų | 104.5 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | trans | -8.5 | 151.5 | -179.6 | -1.2 | 0 | 0 | 0 | 0 | 119.5 | S602 | S600-S602 PolarHBondContact O-N 3.48Š| ||
| 601 | S | 37.4 | Very low | 47.6 | Very low | 119.333 Ų | 119.333 | 109.8 Ų | 109.8 | 83% | 0.834 | 60% | 0.601 | S | S | * | * | trans | 30 | 79 | 156.5 | 56.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 602 | S | 35.6 | Very low | 46.9 | Very low | 88.3333 Ų | 88.3333 | 111.8 Ų | 111.8 | 62% | 0.618 | 61% | 0.611 | S | S | * | * | trans | -156.2 | 51.5 | 154.5 | 60.5 | 0 | 0 | 0 | 0 | 115.3 | S600 S604 | S600-S602 PolarHBondContact O-N 3.48Å; S602-S604 PolarHBondContact O-N 2.87Å | ||
| 603 | H | 38.6 | Very low | 46.4 | Very low | 151.333 Ų | 151.333 | 110.6 Ų | 110.6 | 70% | 0.701 | 60% | 0.604 | S | S | * | * | trans | -122.8 | 40.7 | 177.7 | -95.4 | 55.8 | 0 | 0 | 0 | 114.2 | I605 N606 T607 | H603-I605 PolarHBondContact O-N 3.14Å; H603-N606 PolarHBondContact NE2-ND2 3.01Å; H603-T607 PolarHBondContact O-OG1 3.44Å | ||
| 604 | S | 40.7 | Very low | 46.5 | Very low | 98.6667 Ų | 98.6667 | 105.5 Ų | 105.5 | 69% | 0.69 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -86.9 | 8.2 | 170 | 58 | 0 | 0 | 0 | 0 | 112.7 | S602 T607 S608 | S602-S604 PolarHBondContact O-N 2.87Å; S604-T607 PolarHBondContact O-OG1 3.07Å; S604-S608 PolarHBondContact O-OG 3.33Å |
| 605 | I | 41.9 | Very low | 46.9 | Very low | 109 Ų | 109 | 103.9 Ų | 103.9 | 56% | 0.559 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -110 | -29.4 | -179.5 | -73.6 | 166.1 | 0 | 0 | 0 | 112.5 | H603 S608 K609 | H603-I605 PolarHBondContact O-N 3.14Å; I605-S608 PolarHBondContact O-OG 3.31Å; I605-S608 VanDerWaalsContact O-OG 3.08Å; I605-K609 HydrophobicContact CG2-CD 4.39Å; I605-K609 WeakPolarHBondContact O-CD 3.42Å; I605-K609 VanDerWaalsContact O-CG 3.3Å; I605-K609 WeakPolarHBondContact O-CG 3.48Å |
| 606 | N | 42.1 | Very low | 47.6 | Very low | 86.6667 Ų | 86.6667 | 103.3 Ų | 103.3 | 46% | 0.463 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -84.4 | -32.7 | -172.5 | -71.7 | -17.6 | 0 | 0 | 0 | 113.9 | H603 S608 K609 H610 | H603-N606 PolarHBondContact NE2-ND2 3.01Å; N606-S608 VanDerWaalsContact C-N 3.33Å; N606-S608 PolarHBondContact O-N 3.18Å; N606-K609 PolarHBondContact O-N 3.2Å; N606-K609 VanDerWaalsContact O-N 3.14Å; N606-H610 PolarHBondContact O-CD2 2.89Å; N606-H610 PolarHBondContact O-N 3.19Å; N606-H610 VanDerWaalsContact O-N 3.15Å |
| 607 | T | 42.2 | Very low | 49.3 | Very low | 93.3333 Ų | 93.3333 | 97.4 Ų | 97.4 | 57% | 0.573 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | -179.3 | 45.5 | 0 | 0 | 0 | 0 | 112.7 | H603 S604 H610 Q611 | H603-T607 PolarHBondContact O-OG1 3.44Å; S604-T607 PolarHBondContact O-OG1 3.07Å; T607-H610 PolarHBondContact O-N 3.01Å; T607-Q611 WeakPolarHBondContact O-CB 3.3Å; T607-Q611 PolarHBondContact O-N 3.22Å |
| 608 | S | 49.7 | Very low | 51.1 | Low | 54.6667 Ų | 54.6667 | 93 Ų | 93 | 38% | 0.382 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 177.2 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | S604 I605 N606 H610 Q611 I612 | S604-S608 PolarHBondContact O-OG 3.33Å; I605-S608 PolarHBondContact O-OG 3.31Å; I605-S608 VanDerWaalsContact O-OG 3.08Å; N606-S608 VanDerWaalsContact C-N 3.33Å; N606-S608 PolarHBondContact O-N 3.18Å; S608-H610 VanDerWaalsContact C-N 3.32Å; S608-H610 PolarHBondContact O-N 3.17Å; S608-Q611 PolarHBondContact O-N 3.19Å; S608-I612 WeakPolarHBondContact O-CB 3.45Å; S608-I612 VanDerWaalsContact O-CD1 3.28Å; S608-I612 WeakPolarHBondContact O-CD1 3.41Å; S608-I612 VanDerWaalsContact O-CG1 3.25Å; S608-I612 WeakPolarHBondContact O-CG1 3.33Å; S608-I612 PolarHBondContact O-N 3.04Å |
| 609 | K | 49.8 | Very low | 53.2 | Low | 128.667 Ų | 128.667 | 91.7 Ų | 91.7 | 56% | 0.559 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.8 | -41.9 | 179.7 | -73.6 | 179 | -179.4 | 175.5 | 0 | 113 | I605 N606 Q611 I612 Y613 | I605-K609 HydrophobicContact CG2-CD 4.39Å; I605-K609 WeakPolarHBondContact O-CD 3.42Å; I605-K609 VanDerWaalsContact O-CG 3.3Å; I605-K609 WeakPolarHBondContact O-CG 3.48Å; N606-K609 PolarHBondContact O-N 3.2Å; N606-K609 VanDerWaalsContact O-N 3.14Å; K609-Q611 VanDerWaalsContact C-N 3.34Å; K609-Q611 PolarHBondContact O-N 2.66Å; K609-I612 PolarHBondContact O-N 3.27Å; K609-Y613 PolarHBondContact O-N 3.13Å |
| 610 | H | 52.8 | Low | 55.4 | Low | 69 Ų | 69 | 81.8 Ų | 81.8 | 32% | 0.319 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 178.5 | -67.1 | -61.9 | 0 | 0 | 0 | 112.7 | E585 V589 N606 T607 S608 I612 Y613 S614 | E585-H610 IonicContact OE1-CE1 2.71Å; E585-H610 PolarHBondContact OE1-CE1 2.82Å; E585-H610 IonicContact OE1-CG 3.14Å; E585-H610 IonicContact OE1-ND1 2.72Å; E585-H610 PolarHBondContact OE1-ND1 3.04Å; V589-H610 HydrophobicContact CG2-CB 4.29Å; N606-H610 PolarHBondContact O-CD2 2.89Å; N606-H610 PolarHBondContact O-N 3.19Å; N606-H610 VanDerWaalsContact O-N 3.15Å; T607-H610 PolarHBondContact O-N 3.01Å; S608-H610 VanDerWaalsContact C-N 3.32Å; S608-H610 PolarHBondContact O-N 3.17Å; H610-I612 VanDerWaalsContact C-N 3.33Å; H610-I612 PolarHBondContact O-N 3.46Å; H610-Y613 PolarHBondContact O-N 3.03Å; H610-S614 PolarHBondContact O-N 3.17Å; H610-S614 PolarHBondContact O-OG 3.3Å |
| 611 | Q | 55 | Low | 57.9 | Low | 131.333 Ų | 131.333 | 76.8 Ų | 76.8 | 61% | 0.614 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.8 | -35.9 | 173.9 | -138.7 | 171.9 | -7.7 | 0 | 0 | 111.8 | T607 S608 K609 S614 N615 | T607-Q611 WeakPolarHBondContact O-CB 3.3Å; T607-Q611 PolarHBondContact O-N 3.22Å; S608-Q611 PolarHBondContact O-N 3.19Å; K609-Q611 VanDerWaalsContact C-N 3.34Å; K609-Q611 PolarHBondContact O-N 2.66Å; Q611-S614 WeakPolarHBondContact CA-OG 3.11Å; Q611-S614 PolarHBondContact O-OG 3.16Å; Q611-S614 VanDerWaalsContact O-OG 3.09Å; Q611-N615 VanDerWaalsContact O-CB 3.3Å; Q611-N615 WeakPolarHBondContact O-CB 3.31Å; Q611-N615 PolarHBondContact O-N 3.17Å; Q611-N615 VanDerWaalsContact O-N 3.09Å; Q611-N615 PolarHBondContact O-ND2 3.26Å; Q611-N615 VanDerWaalsContact O-ND2 3.11Å |
| 612 | I | 57.8 | Low | 60.3 | Low | 108.667 Ų | 108.667 | 76.1 Ų | 76.1 | 56% | 0.557 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 174.1 | -67.6 | 162 | 0 | 0 | 0 | 111 | S608 K609 H610 N615 L616 | S608-I612 WeakPolarHBondContact O-CB 3.45Å; S608-I612 VanDerWaalsContact O-CD1 3.28Å; S608-I612 WeakPolarHBondContact O-CD1 3.41Å; S608-I612 VanDerWaalsContact O-CG1 3.25Å; S608-I612 WeakPolarHBondContact O-CG1 3.33Å; S608-I612 PolarHBondContact O-N 3.04Å; K609-I612 PolarHBondContact O-N 3.27Å; H610-I612 VanDerWaalsContact C-N 3.33Å; H610-I612 PolarHBondContact O-N 3.46Å; I612-N615 PolarHBondContact O-N 3.23Å; I612-L616 HydrophobicContact CG2-CD1 3.99Å; I612-L616 WeakPolarHBondContact O-CB 3.37Å; I612-L616 WeakPolarHBondContact O-CG 3.18Å; I612-L616 PolarHBondContact O-N 3.01Å |
| 613 | Y | 61.4 | Low | 62.6 | Low | 87.3333 Ų | 87.3333 | 73 Ų | 73 | 34% | 0.342 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 179.8 | -157.2 | -101 | 0 | 0 | 0 | 112.9 | S581 E585 K609 H610 N615 L616 Q617 | S581-Y613 PolarHBondContact OG-OH 3.24Å; E585-Y613 HydrophobicContact CG-CD1 4.28Å; E585-Y613 HydrophobicContact CG-CE1 4.48Å; K609-Y613 PolarHBondContact O-N 3.13Å; H610-Y613 PolarHBondContact O-N 3.03Å; Y613-N615 VanDerWaalsContact C-N 3.31Å; Y613-N615 PolarHBondContact O-N 3.07Å; Y613-L616 WeakPolarHBondContact O-CB 3.45Å; Y613-L616 PolarHBondContact O-N 3.06Å; Y613-L616 VanDerWaalsContact O-N 3.14Å; Y613-Q617 HydrophobicContact CD1-CG 4.36Å; Y613-Q617 HydrophobicContact CE1-CG 3.97Å; Y613-Q617 HydrophobicContact CE2-CG 4.07Å; Y613-Q617 VanDerWaalsContact CZ-NE2 3.29Å; Y613-Q617 WeakPolarHBondContact O-CG 3.41Å; Y613-Q617 PolarHBondContact O-N 3.38Å; Y613-Q617 PolarHBondContact OH-NE2 3.43Å |
| 614 | S | 64.7 | Low | 65 | Low | 14 Ų | 14 | 65.8 Ų | 65.8 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 177.1 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | H610 Q611 L616 Q617 L618 | H610-S614 PolarHBondContact O-N 3.17Å; H610-S614 PolarHBondContact O-OG 3.3Å; Q611-S614 WeakPolarHBondContact CA-OG 3.11Å; Q611-S614 PolarHBondContact O-OG 3.16Å; Q611-S614 VanDerWaalsContact O-OG 3.09Å; S614-L616 PolarHBondContact O-N 3.49Å; S614-Q617 PolarHBondContact O-N 3.25Å; S614-L618 WeakPolarHBondContact O-CB 3.38Å; S614-L618 PolarHBondContact O-N 3.2Å; S614-L618 VanDerWaalsContact O-N 3.15Å |
| 615 | N | 69.4 | Low | 67.4 | Low | 77 Ų | 77 | 61.5 Ų | 61.5 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 170.8 | -77.3 | -35 | 0 | 0 | 0 | 112.5 | Q611 I612 Y613 L618 I619 | Q611-N615 VanDerWaalsContact O-CB 3.3Å; Q611-N615 WeakPolarHBondContact O-CB 3.31Å; Q611-N615 PolarHBondContact O-N 3.17Å; Q611-N615 VanDerWaalsContact O-N 3.09Å; Q611-N615 PolarHBondContact O-ND2 3.26Å; Q611-N615 VanDerWaalsContact O-ND2 3.11Å; I612-N615 PolarHBondContact O-N 3.23Å; Y613-N615 VanDerWaalsContact C-N 3.31Å; Y613-N615 PolarHBondContact O-N 3.07Å; N615-L618 WeakPolarHBondContact O-CB 3.5Å; N615-L618 PolarHBondContact O-N 3.16Å; N615-I619 WeakPolarHBondContact O-CG1 3.38Å; N615-I619 PolarHBondContact O-N 3.27Å; N615-I619 VanDerWaalsContact O-N 3.13Å |
| 616 | L | 71.5 | Confident | 69.7 | Low | 69 Ų | 69 | 61 Ų | 61 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.7 | -148.9 | 93.3 | 0 | 0 | 0 | 112 | F483 I612 Y613 S614 L618 I619 K620 | F483-L616 HydrophobicContact CD1-CD2 4.21Å; F483-L616 HydrophobicContact CE1-CD2 4.03Å; I612-L616 HydrophobicContact CG2-CD1 3.99Å; I612-L616 WeakPolarHBondContact O-CB 3.37Å; I612-L616 WeakPolarHBondContact O-CG 3.18Å; I612-L616 PolarHBondContact O-N 3.01Å; Y613-L616 WeakPolarHBondContact O-CB 3.45Å; Y613-L616 PolarHBondContact O-N 3.06Å; Y613-L616 VanDerWaalsContact O-N 3.14Å; S614-L616 PolarHBondContact O-N 3.49Å; L616-L618 VanDerWaalsContact C-N 3.33Å; L616-L618 PolarHBondContact O-N 3.15Å; L616-I619 WeakPolarHBondContact O-CB 3.33Å; L616-I619 PolarHBondContact O-N 3.19Å; L616-I619 VanDerWaalsContact O-N 3.16Å; L616-K620 PolarHBondContact O-N 3.19Å |
| 617 | Q | 76.9 | Confident | 72 | Confident | 7.66667 Ų | 7.66667 | 56.8 Ų | 56.8 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 174.2 | -69.1 | -152.5 | -6.6 | 0 | 0 | 111.7 | E530 T578 V582 E585 Y613 S614 I619 K620 V621 | E530-Q617 PolarHBondContact OE2-NE2 3.03Å; T578-Q617 HydrophobicContact CG2-CB 3.81Å; T578-Q617 HydrophobicContact CG2-CG 4.5Å; T578-Q617 WeakPolarHBondContact CG2-O 3.45Å; V582-Q617 HydrophobicContact CG2-CB 3.44Å; V582-Q617 VanDerWaalsContact CG2-CB 3.44Å; V582-Q617 HydrophobicContact CG2-CG 4.17Å; E585-Q617 PolarHBondContact OE1-NE2 3.45Å; Y613-Q617 HydrophobicContact CD1-CG 4.36Å; Y613-Q617 HydrophobicContact CE1-CG 3.97Å; Y613-Q617 HydrophobicContact CE2-CG 4.07Å; Y613-Q617 VanDerWaalsContact CZ-NE2 3.29Å; Y613-Q617 WeakPolarHBondContact O-CG 3.41Å; Y613-Q617 PolarHBondContact O-N 3.38Å; Y613-Q617 PolarHBondContact OH-NE2 3.43Å; S614-Q617 PolarHBondContact O-N 3.25Å; Q617-I619 VanDerWaalsContact C-N 3.29Å; Q617-I619 PolarHBondContact O-N 3.37Å; Q617-K620 WeakPolarHBondContact O-CA 3.19Å; Q617-K620 VanDerWaalsContact O-CB 3.31Å; Q617-K620 WeakPolarHBondContact O-CB 3.28Å; Q617-K620 PolarHBondContact O-N 3.03Å; Q617-K620 VanDerWaalsContact O-N 3.08Å; Q617-K620 VanDerWaalsContact OE1-CD 3.22Å; Q617-V621 PolarHBondContact O-N 3.04Å; Q617-V621 VanDerWaalsContact O-N 3.12Å |
| 618 | L | 79.2 | Confident | 74.3 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -31.3 | 174.9 | -161.4 | 68.6 | 0 | 0 | 0 | 112.7 | M579 S614 N615 L616 K620 V621 K622 N679 D680 L683 | M579-L618 HydrophobicContact CE-CD1 3.89Å; M579-L618 HydrophobicContact SD-CD1 4.15Å; S614-L618 WeakPolarHBondContact O-CB 3.38Å; S614-L618 PolarHBondContact O-N 3.2Å; S614-L618 VanDerWaalsContact O-N 3.15Å; N615-L618 WeakPolarHBondContact O-CB 3.5Å; N615-L618 PolarHBondContact O-N 3.16Å; L616-L618 VanDerWaalsContact C-N 3.33Å; L616-L618 PolarHBondContact O-N 3.15Å; L618-K620 VanDerWaalsContact C-N 3.31Å; L618-K620 PolarHBondContact O-N 3.24Å; L618-V621 PolarHBondContact O-N 3.35Å; L618-K622 WeakPolarHBondContact O-CB 3.32Å; L618-K622 WeakPolarHBondContact O-CG 3.49Å; L618-K622 PolarHBondContact O-N 3.06Å; L618-N679 HydrophobicContact CD2-CB 3.86Å; L618-D680 WeakPolarHBondContact CD1-OD1 3.4Å; L618-L683 HydrophobicContact CD1-CD1 3.59Å; L618-L683 VanDerWaalsContact CD1-CD1 3.41Å; L618-L683 HydrophobicContact CD2-CD1 4.01Å; L618-L683 HydrophobicContact CG-CD1 3.64Å |
| 619 | I | 79.6 | Confident | 76.2 | Confident | 80.3333 Ų | 80.3333 | 55.4 Ų | 55.4 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 170.8 | -67.2 | 165.5 | 0 | 0 | 0 | 110.8 | L534 N615 L616 Q617 V621 K622 E623 | L534-I619 HydrophobicContact CD1-CG2 4.46Å; N615-I619 WeakPolarHBondContact O-CG1 3.38Å; N615-I619 PolarHBondContact O-N 3.27Å; N615-I619 VanDerWaalsContact O-N 3.13Å; L616-I619 WeakPolarHBondContact O-CB 3.33Å; L616-I619 PolarHBondContact O-N 3.19Å; L616-I619 VanDerWaalsContact O-N 3.16Å; Q617-I619 VanDerWaalsContact C-N 3.29Å; Q617-I619 PolarHBondContact O-N 3.37Å; I619-V621 VanDerWaalsContact C-N 3.32Å; I619-V621 PolarHBondContact O-N 3.21Å; I619-K622 WeakPolarHBondContact O-CB 3.48Å; I619-K622 PolarHBondContact O-N 3.16Å; I619-E623 WeakPolarHBondContact O-CG 3.49Å; I619-E623 PolarHBondContact O-N 3.03Å; I619-E623 VanDerWaalsContact O-N 3.11Å |
| 620 | K | 82.2 | Confident | 77.9 | Confident | 25.3333 Ų | 25.3333 | 49.8 Ų | 49.8 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 174.1 | -56.8 | -174 | -172.9 | 179.8 | 0 | 110.9 | E530 L533 L534 T578 L616 Q617 L618 K622 E623 L624 | E530-K620 PolarHBondContact O-NZ 3.33Å; E530-K620 IonicContact OE2-NZ 2.64Å; E530-K620 PolarHBondContact OE2-NZ 3.22Å; L533-K620 HydrophobicContact CD2-CD 4.45Å; L534-K620 HydrophobicContact CB-CG 4.33Å; T578-K620 HydrophobicContact CG2-CB 4.44Å; T578-K620 HydrophobicContact CG2-CD 4.48Å; L616-K620 PolarHBondContact O-N 3.19Å; Q617-K620 WeakPolarHBondContact O-CA 3.19Å; Q617-K620 VanDerWaalsContact O-CB 3.31Å; Q617-K620 WeakPolarHBondContact O-CB 3.28Å; Q617-K620 PolarHBondContact O-N 3.03Å; Q617-K620 VanDerWaalsContact O-N 3.08Å; Q617-K620 VanDerWaalsContact OE1-CD 3.22Å; L618-K620 VanDerWaalsContact C-N 3.31Å; L618-K620 PolarHBondContact O-N 3.24Å; K620-K622 VanDerWaalsContact C-N 3.34Å; K620-K622 PolarHBondContact O-N 3.14Å; K620-E623 PolarHBondContact O-N 3.12Å; K620-L624 WeakPolarHBondContact O-CG 3.35Å; K620-L624 PolarHBondContact O-N 2.91Å |
| 621 | V | 86.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 177.2 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | I575 T578 M579 Q617 L618 I619 E623 L624 L625 L651 | I575-V621 HydrophobicContact CG2-CG1 4.25Å; T578-V621 HydrophobicContact CG2-CG2 3.67Å; T578-V621 WeakPolarHBondContact OG1-CG2 3.46Å; M579-V621 HydrophobicContact CE-CG2 3.7Å; M579-V621 HydrophobicContact CG-CG2 4.15Å; M579-V621 HydrophobicContact SD-CG1 4.41Å; M579-V621 HydrophobicContact SD-CG2 3.98Å; Q617-V621 PolarHBondContact O-N 3.04Å; Q617-V621 VanDerWaalsContact O-N 3.12Å; L618-V621 PolarHBondContact O-N 3.35Å; I619-V621 VanDerWaalsContact C-N 3.32Å; I619-V621 PolarHBondContact O-N 3.21Å; V621-E623 VanDerWaalsContact C-N 3.28Å; V621-E623 PolarHBondContact O-N 3.24Å; V621-L624 PolarHBondContact O-N 3.28Å; V621-L625 HydrophobicContact CG1-CD1 3.96Å; V621-L625 HydrophobicContact CG1-CG 4.29Å; V621-L625 WeakPolarHBondContact O-CB 3.35Å; V621-L625 VanDerWaalsContact O-CG 3.3Å; V621-L625 WeakPolarHBondContact O-CG 3.41Å; V621-L625 PolarHBondContact O-N 3.16Å; V621-L651 HydrophobicContact CG1-CD2 4.22Å |
| 622 | K | 87.7 | Confident | 81 | Confident | 103.333 Ų | 103.333 | 40.3 Ų | 40.3 | 45% | 0.449 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 176.4 | -145.4 | 177.5 | -176.1 | -178.7 | 0 | 112.6 | L618 I619 K620 L625 K626 L683 | L618-K622 WeakPolarHBondContact O-CB 3.32Å; L618-K622 WeakPolarHBondContact O-CG 3.49Å; L618-K622 PolarHBondContact O-N 3.06Å; I619-K622 WeakPolarHBondContact O-CB 3.48Å; I619-K622 PolarHBondContact O-N 3.16Å; K620-K622 VanDerWaalsContact C-N 3.34Å; K620-K622 PolarHBondContact O-N 3.14Å; K622-L625 PolarHBondContact O-N 3.25Å; K622-K626 WeakPolarHBondContact O-CG 3.22Å; K622-K626 PolarHBondContact O-N 3.26Å; K622-K626 VanDerWaalsContact O-N 3.12Å; K622-L683 HydrophobicContact CB-CD2 4.33Å; K622-L683 HydrophobicContact CD-CD1 4.5Å; K622-L683 HydrophobicContact CD-CD2 4.33Å; K622-L683 HydrophobicContact CG-CD1 3.85Å; K622-L683 HydrophobicContact CG-CD2 4.02Å; K622-L683 HydrophobicContact CG-CG 4.47Å |
| 623 | E | 85.5 | Confident | 82.3 | Confident | 22.6667 Ų | 22.6667 | 35.7 Ų | 35.7 | 11% | 0.106 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74.9 | -32.4 | 178.7 | -59.7 | -59.4 | 123 | 0 | 0 | 112.4 | L534 K538 I619 K620 V621 K626 L627 | L534-E623 HydrophobicContact CD1-CB 4.01Å; L534-E623 HydrophobicContact CD1-CG 3.56Å; K538-E623 WeakPolarHBondContact CE-OE2 3.35Å; K538-E623 HydrophobicContact CG-CG 4.4Å; I619-E623 WeakPolarHBondContact O-CG 3.49Å; I619-E623 PolarHBondContact O-N 3.03Å; I619-E623 VanDerWaalsContact O-N 3.11Å; K620-E623 PolarHBondContact O-N 3.12Å; V621-E623 VanDerWaalsContact C-N 3.28Å; V621-E623 PolarHBondContact O-N 3.24Å; E623-K626 WeakPolarHBondContact O-CB 3.41Å; E623-K626 PolarHBondContact O-N 3.2Å; E623-K626 VanDerWaalsContact OE1-CE 3.3Å; E623-K626 WeakPolarHBondContact OE1-CE 3.35Å; E623-K626 IonicContact OE1-NZ 3.14Å; E623-K626 PolarHBondContact OE1-NZ 2.98Å; E623-K626 WeakPolarHBondContact OE2-CD 3.48Å; E623-K626 IonicContact OE2-NZ 3.31Å; E623-K626 PolarHBondContact OE2-NZ 3Å; E623-L627 PolarHBondContact O-N 3.36Å |
| 624 | L | 89.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 171.2 | -69.2 | 167.7 | 0 | 0 | 0 | 112.3 | L522 L533 A537 A571 C574 I575 K620 V621 K626 L627 L628 | L522-L624 HydrophobicContact CD2-CD2 4.41Å; L533-L624 HydrophobicContact CD1-CD1 4.31Å; L533-L624 HydrophobicContact CD1-CD2 3.92Å; L533-L624 HydrophobicContact CD2-CD1 4.17Å; L533-L624 HydrophobicContact CG-CD1 4.3Å; A537-L624 HydrophobicContact CB-CD2 3.92Å; A537-L624 HydrophobicContact CB-CG 4.45Å; A571-L624 HydrophobicContact CB-CD2 4.31Å; C574-L624 HydrophobicContact CB-CD1 3.91Å; C574-L624 HydrophobicContact CB-CD2 4.47Å; I575-L624 HydrophobicContact CD1-CB 3.82Å; I575-L624 HydrophobicContact CG1-CB 3.56Å; I575-L624 HydrophobicContact CG1-CD1 3.9Å; I575-L624 HydrophobicContact CG1-CG 4.36Å; K620-L624 WeakPolarHBondContact O-CG 3.35Å; K620-L624 PolarHBondContact O-N 2.91Å; V621-L624 PolarHBondContact O-N 3.28Å; L624-K626 VanDerWaalsContact C-N 3.3Å; L624-K626 PolarHBondContact O-N 3.21Å; L624-L627 HydrophobicContact CD2-CD2 4.47Å; L624-L627 WeakPolarHBondContact O-CB 3.24Å; L624-L627 PolarHBondContact O-N 3.29Å; L624-L627 VanDerWaalsContact O-N 3.13Å; L624-L628 WeakPolarHBondContact O-CG 3.48Å; L624-L628 PolarHBondContact O-N 3.22Å |
| 625 | L | 91 | Very high | 83.9 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.7 | -31.8 | 172.9 | -72.5 | 172.6 | 0 | 0 | 0 | 112.2 | I575 V621 K622 L628 R629 I647 L651 L683 W687 | I575-L625 HydrophobicContact CD1-CD2 3.85Å; I575-L625 HydrophobicContact CD1-CG 4.12Å; V621-L625 HydrophobicContact CG1-CD1 3.96Å; V621-L625 HydrophobicContact CG1-CG 4.29Å; V621-L625 WeakPolarHBondContact O-CB 3.35Å; V621-L625 VanDerWaalsContact O-CG 3.3Å; V621-L625 WeakPolarHBondContact O-CG 3.41Å; V621-L625 PolarHBondContact O-N 3.16Å; K622-L625 PolarHBondContact O-N 3.25Å; L625-L628 HydrophobicContact CD2-CD1 4.44Å; L625-L628 PolarHBondContact O-N 3.5Å; L625-R629 WeakPolarHBondContact O-CB 3.35Å; L625-R629 PolarHBondContact O-N 3.14Å; L625-I647 HydrophobicContact CD2-CG2 4.2Å; L625-L651 HydrophobicContact CD1-CD1 4.43Å; L625-L683 HydrophobicContact CD1-CB 4.39Å; L625-W687 HydrophobicContact CB-CG 4.45Å; L625-W687 HydrophobicContact CD1-CB 4.49Å; L625-W687 HydrophobicContact CD1-CG 4.49Å; L625-W687 HydrophobicContact CD2-CD2 3.82Å; L625-W687 HydrophobicContact CD2-CE3 4.39Å; L625-W687 HydrophobicContact CD2-CG 3.87Å; L625-W687 HydrophobicContact CD2-CZ2 4.47Å; L625-W687 HydrophobicContact CG-CG 4.5Å; L625-W687 PolarHBondContact O-NE1 3.08Å; L625-W687 VanDerWaalsContact O-NE1 3.09Å |
| 626 | K | 89.8 | Confident | 84.4 | Confident | 98 Ų | 98 | 36.2 Ų | 36.2 | 43% | 0.426 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.8 | -42.5 | 168.8 | -71 | 173.9 | -178.9 | 173.6 | 0 | 111.8 | I541 K622 E623 L624 L628 R629 Y630 | I541-K626 HydrophobicContact CD1-CB 4.06Å; K622-K626 WeakPolarHBondContact O-CG 3.22Å; K622-K626 PolarHBondContact O-N 3.26Å; K622-K626 VanDerWaalsContact O-N 3.12Å; E623-K626 WeakPolarHBondContact O-CB 3.41Å; E623-K626 PolarHBondContact O-N 3.2Å; E623-K626 VanDerWaalsContact OE1-CE 3.3Å; E623-K626 WeakPolarHBondContact OE1-CE 3.35Å; E623-K626 IonicContact OE1-NZ 3.14Å; E623-K626 PolarHBondContact OE1-NZ 2.98Å; E623-K626 WeakPolarHBondContact OE2-CD 3.48Å; E623-K626 IonicContact OE2-NZ 3.31Å; E623-K626 PolarHBondContact OE2-NZ 3Å; L624-K626 VanDerWaalsContact C-N 3.3Å; L624-K626 PolarHBondContact O-N 3.21Å; K626-L628 PolarHBondContact O-N 3.42Å; K626-R629 WeakPolarHBondContact O-CB 3.44Å; K626-R629 PolarHBondContact O-N 3.08Å; K626-Y630 WeakPolarHBondContact O-CB 3.31Å; K626-Y630 PolarHBondContact O-N 3.06Å |
| 627 | L | 89.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 175.4 | 174.3 | 63.8 | 0 | 0 | 0 | 111.2 | L522 A537 F540 I541 A571 E623 L624 R629 Y630 L631 | L522-L627 HydrophobicContact CD1-CD2 3.79Å; L522-L627 HydrophobicContact CD2-CD2 4.45Å; A537-L627 HydrophobicContact CB-CD2 4.3Å; F540-L627 HydrophobicContact CB-CD1 4.22Å; F540-L627 HydrophobicContact CD1-CD1 3.48Å; F540-L627 VanDerWaalsContact CD1-CD1 3.48Å; F540-L627 HydrophobicContact CE1-CD1 4.18Å; F540-L627 HydrophobicContact CG-CD1 4.07Å; I541-L627 HydrophobicContact CD1-CB 4.15Å; I541-L627 HydrophobicContact CG1-CB 4.33Å; I541-L627 HydrophobicContact CG1-CD1 3.92Å; A571-L627 HydrophobicContact CB-CD2 4.02Å; E623-L627 PolarHBondContact O-N 3.36Å; L624-L627 HydrophobicContact CD2-CD2 4.47Å; L624-L627 WeakPolarHBondContact O-CB 3.24Å; L624-L627 PolarHBondContact O-N 3.29Å; L624-L627 VanDerWaalsContact O-N 3.13Å; L627-R629 PolarHBondContact O-N 3.4Å; L627-Y630 WeakPolarHBondContact O-CB 3.34Å; L627-Y630 PolarHBondContact O-N 3.09Å; L627-L631 HydrophobicContact CD1-CD1 4.18Å; L627-L631 HydrophobicContact CD1-CG 4.26Å; L627-L631 HydrophobicContact CG-CD1 4.09Å; L627-L631 HydrophobicContact CG-CG 4.45Å; L627-L631 VanDerWaalsContact O-CG 3.32Å; L627-L631 WeakPolarHBondContact O-CG 3.44Å; L627-L631 PolarHBondContact O-N 3.17Å |
| 628 | L | 90.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 175.7 | -69.8 | 179.1 | 0 | 0 | 0 | 112.5 | L568 A571 V572 I575 L624 L625 K626 Y630 L631 I632 I647 W687 | L568-L628 HydrophobicContact CD1-CD2 3.84Å; L568-L628 HydrophobicContact CG-CD2 4.37Å; A571-L628 HydrophobicContact CB-CD2 3.81Å; A571-L628 HydrophobicContact CB-CG 4.19Å; V572-L628 HydrophobicContact CG2-CD1 3.86Å; V572-L628 HydrophobicContact CG2-CD2 4.13Å; I575-L628 HydrophobicContact CD1-CD1 3.49Å; I575-L628 VanDerWaalsContact CD1-CD1 3.49Å; I575-L628 HydrophobicContact CD1-CG 4.36Å; L624-L628 WeakPolarHBondContact O-CG 3.48Å; L624-L628 PolarHBondContact O-N 3.22Å; L625-L628 HydrophobicContact CD2-CD1 4.44Å; L625-L628 PolarHBondContact O-N 3.5Å; K626-L628 PolarHBondContact O-N 3.42Å; L628-Y630 VanDerWaalsContact C-N 3.31Å; L628-Y630 PolarHBondContact O-N 3.23Å; L628-L631 HydrophobicContact CD2-CD1 4.49Å; L628-L631 PolarHBondContact O-N 3.4Å; L628-I632 WeakPolarHBondContact O-CB 3.38Å; L628-I632 VanDerWaalsContact O-CG1 3.3Å; L628-I632 WeakPolarHBondContact O-CG1 3.41Å; L628-I632 PolarHBondContact O-N 3.11Å; L628-I647 HydrophobicContact CD1-CD1 3.63Å; L628-I647 HydrophobicContact CD1-CG1 4.39Å; L628-W687 HydrophobicContact CB-CZ2 3.76Å; L628-W687 HydrophobicContact CD1-CZ2 4.35Å |
| 629 | R | 89.6 | Confident | 85.6 | Confident | 117.667 Ų | 117.667 | 38 Ų | 38 | 44% | 0.444 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.6 | -47.7 | 171.2 | 172.4 | -172.6 | 167.4 | 136.1 | -3 | 110.4 | L625 K626 L627 L631 I632 F633 Q634 L690 | L625-R629 WeakPolarHBondContact O-CB 3.35Å; L625-R629 PolarHBondContact O-N 3.14Å; K626-R629 WeakPolarHBondContact O-CB 3.44Å; K626-R629 PolarHBondContact O-N 3.08Å; L627-R629 PolarHBondContact O-N 3.4Å; R629-L631 PolarHBondContact O-N 3.14Å; R629-I632 PolarHBondContact O-N 3.16Å; R629-F633 HydrophobicContact CB-CD2 4.29Å; R629-F633 HydrophobicContact CG-CD2 3.83Å; R629-F633 HydrophobicContact CG-CE2 4.28Å; R629-F633 WeakPolarHBondContact O-CB 3.35Å; R629-F633 WeakPolarHBondContact O-CD2 3.39Å; R629-F633 PolarHBondContact O-N 3.3Å; R629-Q634 PolarHBondContact O-OE1 3.1Å; R629-L690 HydrophobicContact CB-CD1 4.38Å; R629-L690 HydrophobicContact CG-CD1 3.98Å |
| 630 | Y | 86.3 | Confident | 86 | Confident | 11.3333 Ų | 11.3333 | 37.3 Ų | 37.3 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -59.7 | -49 | 178.4 | -178.8 | -97.9 | 0 | 0 | 0 | 112.1 | I541 A544 N545 K626 L627 L628 I632 Q634 C635 | I541-Y630 HydrophobicContact CG1-CG 4.44Å; I541-Y630 HydrophobicContact CG2-CD2 4.09Å; I541-Y630 HydrophobicContact CG2-CE2 4.46Å; I541-Y630 HydrophobicContact CG2-CG 4.26Å; A544-Y630 HydrophobicContact CB-CD1 4.39Å; A544-Y630 HydrophobicContact CB-CE1 3.42Å; A544-Y630 VanDerWaalsContact CB-CE1 3.45Å; A544-Y630 VanDerWaalsContact CB-OH 3.31Å; A544-Y630 WeakPolarHBondContact CB-OH 3.4Å; A544-Y630 PolarHBondContact O-OH 3.04Å; A544-Y630 VanDerWaalsContact O-OH 3.1Å; N545-Y630 PolarHBondContact N-OH 2.91Å; N545-Y630 WeakPolarHBondContact ND2-CE2 3.42Å; N545-Y630 WeakPolarHBondContact OD1-CE2 3.29Å; K626-Y630 WeakPolarHBondContact O-CB 3.31Å; K626-Y630 PolarHBondContact O-N 3.06Å; L627-Y630 WeakPolarHBondContact O-CB 3.34Å; L627-Y630 PolarHBondContact O-N 3.09Å; L628-Y630 VanDerWaalsContact C-N 3.31Å; L628-Y630 PolarHBondContact O-N 3.23Å; Y630-I632 PolarHBondContact O-N 3.48Å; Y630-Q634 VanDerWaalsContact CA-OE1 3.24Å; Y630-Q634 HydrophobicContact CD2-CB 4.03Å; Y630-Q634 HydrophobicContact CD2-CG 4.1Å; Y630-Q634 HydrophobicContact CE2-CB 4.11Å; Y630-Q634 HydrophobicContact CE2-CG 4.42Å; Y630-Q634 VanDerWaalsContact CE2-OE1 3.32Å; Y630-Q634 WeakPolarHBondContact O-CB 3.3Å; Y630-Q634 PolarHBondContact O-N 2.88Å; Y630-Q634 VanDerWaalsContact O-N 3.16Å; Y630-C635 WeakPolarHBondContact CE1-SG 3.32Å; Y630-C635 PolarHBondContact O-N 3.27Å; Y630-C635 PolarHBondContact O-SG 3.46Å |
| 631 | L | 86 | Confident | 86.3 | Confident | 0.666667 Ų | 0.666667 | 40.3 Ų | 40.3 | 0% | 0.003 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -63.2 | -45.6 | 179.6 | -69.5 | 171.6 | 0 | 0 | 0 | 112.5 | F540 I558 V567 L568 L627 L628 R629 C635 H636 L637 | F540-L631 HydrophobicContact CE1-CD2 4.01Å; F540-L631 HydrophobicContact CZ-CD2 4.47Å; I558-L631 HydrophobicContact CG2-CD2 4.15Å; V567-L631 HydrophobicContact CB-CD1 4.42Å; V567-L631 HydrophobicContact CG1-CD1 4.09Å; L568-L631 HydrophobicContact CD1-CB 4.45Å; L627-L631 HydrophobicContact CD1-CD1 4.18Å; L627-L631 HydrophobicContact CD1-CG 4.26Å; L627-L631 HydrophobicContact CG-CD1 4.09Å; L627-L631 HydrophobicContact CG-CG 4.45Å; L627-L631 VanDerWaalsContact O-CG 3.32Å; L627-L631 WeakPolarHBondContact O-CG 3.44Å; L627-L631 PolarHBondContact O-N 3.17Å; L628-L631 HydrophobicContact CD2-CD1 4.49Å; L628-L631 PolarHBondContact O-N 3.4Å; R629-L631 PolarHBondContact O-N 3.14Å; L631-C635 CarbonylContact O-C 3.48Å; L631-C635 VanDerWaalsContact O-CB 3.29Å; L631-C635 WeakPolarHBondContact O-CB 3.32Å; L631-H636 PolarHBondContact O-N 3.48Å; L631-L637 HydrophobicContact CB-CD1 3.89Å; L631-L637 HydrophobicContact CD2-CD1 4.04Å; L631-L637 HydrophobicContact CD2-CD2 4.47Å; L631-L637 HydrophobicContact CG-CD1 4.35Å; L631-L637 VanDerWaalsContact O-CB 3.24Å; L631-L637 WeakPolarHBondContact O-CB 3.38Å; L631-L637 VanDerWaalsContact O-CD1 3.25Å; L631-L637 WeakPolarHBondContact O-CD1 3.31Å; L631-L637 WeakPolarHBondContact O-CG 3.34Å; L631-L637 PolarHBondContact O-N 3.15Å; L631-L637 VanDerWaalsContact O-N 3.1Å |
| 632 | I | 85.9 | Confident | 86.4 | Confident | 0.333333 Ų | 0.333333 | 46.7 Ų | 46.7 | 0% | 0.002 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -76.2 | -49.9 | -174.6 | -65 | 170.8 | 0 | 0 | 0 | 111.4 | L568 L628 R629 Y630 H636 C639 L644 W687 F691 I696 | L568-I632 HydrophobicContact CD1-CD1 4.34Å; L568-I632 HydrophobicContact CD1-CG1 4.01Å; L628-I632 WeakPolarHBondContact O-CB 3.38Å; L628-I632 VanDerWaalsContact O-CG1 3.3Å; L628-I632 WeakPolarHBondContact O-CG1 3.41Å; L628-I632 PolarHBondContact O-N 3.11Å; R629-I632 PolarHBondContact O-N 3.16Å; Y630-I632 PolarHBondContact O-N 3.48Å; I632-H636 VanDerWaalsContact O-CA 3.28Å; I632-H636 WeakPolarHBondContact O-CA 3.33Å; I632-H636 PolarHBondContact O-N 3Å; I632-C639 HydrophobicContact CD1-CB 3.96Å; I632-C639 HydrophobicContact CG1-CB 4.3Å; I632-L644 HydrophobicContact CD1-CD2 4.43Å; I632-W687 HydrophobicContact CD1-CH2 4.03Å; I632-W687 HydrophobicContact CD1-CZ2 4.03Å; I632-F691 HydrophobicContact CD1-CZ 4.08Å; I632-F691 HydrophobicContact CG2-CE1 4.29Å; I632-F691 HydrophobicContact CG2-CZ 4.42Å; I632-I696 HydrophobicContact CG2-CD1 4.21Å; I632-I696 WeakPolarHBondContact O-CD1 3.38Å |
| 633 | F | 84.8 | Confident | 86.5 | Confident | 12.6667 Ų | 12.6667 | 42.9 Ų | 42.9 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -90.6 | -42.9 | -170.6 | -62 | -74.6 | 0 | 0 | 0 | 113.3 | R629 H636 L690 F691 H694 I696 | R629-F633 HydrophobicContact CB-CD2 4.29Å; R629-F633 HydrophobicContact CG-CD2 3.83Å; R629-F633 HydrophobicContact CG-CE2 4.28Å; R629-F633 WeakPolarHBondContact O-CB 3.35Å; R629-F633 WeakPolarHBondContact O-CD2 3.39Å; R629-F633 PolarHBondContact O-N 3.3Å; F633-H636 PolarHBondContact O-CE1 3.19Å; F633-H636 PolarHBondContact O-ND1 3.16Å; F633-L690 HydrophobicContact CD2-CB 4.45Å; F633-L690 HydrophobicContact CE1-CB 4.46Å; F633-L690 WeakPolarHBondContact CE1-O 3.3Å; F633-L690 HydrophobicContact CE2-CB 3.75Å; F633-L690 HydrophobicContact CE2-CD1 4.32Å; F633-L690 HydrophobicContact CZ-CB 3.68Å; F633-F691 HydrophobicContact CE1-CD1 4.37Å; F633-F691 HydrophobicContact CE1-CG 4.34Å; F633-F691 HydrophobicContact CE2-CD2 4.42Å; F633-F691 HydrophobicContact CE2-CE2 4.19Å; F633-F691 HydrophobicContact CE2-CZ 4.37Å; F633-F691 HydrophobicContact CZ-CB 4.42Å; F633-F691 HydrophobicContact CZ-CD1 4.18Å; F633-F691 AromaticContact CZ-CD2 3.71Å; F633-F691 HydrophobicContact CZ-CD2 3.71Å; F633-F691 HydrophobicContact CZ-CE1 4.32Å; F633-F691 AromaticContact CZ-CE2 3.86Å; F633-F691 HydrophobicContact CZ-CE2 3.86Å; F633-F691 AromaticContact CZ-CG 3.88Å; F633-F691 HydrophobicContact CZ-CG 3.88Å; F633-F691 HydrophobicContact CZ-CZ 4.16Å; F633-H694 HydrophobicContact CD1-CB 3.91Å; F633-H694 AromaticContact CD1-CD2 3.6Å; F633-H694 VanDerWaalsContact CD1-CD2 3.45Å; F633-H694 WeakPolarHBondContact CD1-CD2 3.32Å; F633-H694 AromaticContact CD1-CG 3.63Å; F633-H694 AromaticContact CD1-ND1 3.85Å; F633-H694 AromaticContact CD1-NE2 3.87Å; F633-H694 HydrophobicContact CE1-CB 3.79Å; F633-H694 AromaticContact CE1-CG 3.97Å; F633-H694 PolarHBondContact O-NE2 3.18Å; F633-I696 HydrophobicContact CD1-CD1 4.11Å; F633-I696 HydrophobicContact CE1-CD1 4.42Å |
| 634 | Q | 82.2 | Confident | 86.7 | Confident | 82 Ų | 82 | 41.9 Ų | 41.9 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -84.7 | -43.5 | -177.7 | -69 | 94 | 7.3 | 0 | 0 | 111.6 | R629 Y630 H636 | R629-Q634 PolarHBondContact O-OE1 3.1Å; Y630-Q634 VanDerWaalsContact CA-OE1 3.24Å; Y630-Q634 HydrophobicContact CD2-CB 4.03Å; Y630-Q634 HydrophobicContact CD2-CG 4.1Å; Y630-Q634 HydrophobicContact CE2-CB 4.11Å; Y630-Q634 HydrophobicContact CE2-CG 4.42Å; Y630-Q634 VanDerWaalsContact CE2-OE1 3.32Å; Y630-Q634 WeakPolarHBondContact O-CB 3.3Å; Y630-Q634 PolarHBondContact O-N 2.88Å; Y630-Q634 VanDerWaalsContact O-N 3.16Å; Q634-H636 VanDerWaalsContact C-N 3.33Å; Q634-H636 PolarHBondContact O-CE1 2.93Å; Q634-H636 PolarHBondContact O-N 3.21Å; Q634-H636 PolarHBondContact O-ND1 3.26Å |
| 635 | C | 78.1 | Confident | 86.8 | Confident | 1.33333 Ų | 1.33333 | 44.4 Ų | 44.4 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -88.7 | -1 | 179.8 | -49.9 | 0 | 0 | 0 | 0 | 113.7 | N555 I558 Q559 Y630 L631 L637 | N555-C635 WeakPolarHBondContact OD1-CA 3.46Å; N555-C635 PolarHBondContact OD1-O 3.06Å; I558-C635 HydrophobicContact CD1-CB 4.46Å; I558-C635 VanDerWaalsContact CD1-SG 3.55Å; I558-C635 HydrophobicContact CG2-CB 4.06Å; Q559-C635 PolarHBondContact NE2-O 3.01Å; Y630-C635 WeakPolarHBondContact CE1-SG 3.32Å; Y630-C635 PolarHBondContact O-N 3.27Å; Y630-C635 PolarHBondContact O-SG 3.46Å; L631-C635 CarbonylContact O-C 3.48Å; L631-C635 VanDerWaalsContact O-CB 3.29Å; L631-C635 WeakPolarHBondContact O-CB 3.32Å; C635-L637 VanDerWaalsContact C-N 3.3Å; C635-L637 HydrophobicContact CB-CD1 3.67Å; C635-L637 VanDerWaalsContact CB-CD1 3.42Å; C635-L637 HydrophobicContact CB-CG 4.24Å; C635-L637 WeakPolarHBondContact O-CD1 3.44Å; C635-L637 PolarHBondContact O-N 3.14Å |
| 636 | H | 79.8 | Confident | 86.6 | Confident | 105.667 Ų | 105.667 | 44.8 Ų | 44.8 | 49% | 0.489 | 22% | 0.223 | S | C | . | . | trans | 55.8 | 34.1 | 179.1 | -57.9 | 43.7 | 0 | 0 | 0 | 114.2 | L631 I632 F633 Q634 L638 | L631-H636 PolarHBondContact O-N 3.48Å; I632-H636 VanDerWaalsContact O-CA 3.28Å; I632-H636 WeakPolarHBondContact O-CA 3.33Å; I632-H636 PolarHBondContact O-N 3Å; F633-H636 PolarHBondContact O-CE1 3.19Å; F633-H636 PolarHBondContact O-ND1 3.16Å; Q634-H636 VanDerWaalsContact C-N 3.33Å; Q634-H636 PolarHBondContact O-CE1 2.93Å; Q634-H636 PolarHBondContact O-N 3.21Å; Q634-H636 PolarHBondContact O-ND1 3.26Å; H636-L638 PolarHBondContact O-N 3.26Å | ||
| 637 | L | 83.3 | Confident | 86.6 | Confident | 11.6667 Ų | 11.6667 | 40.2 Ų | 40.2 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -77.8 | 122.9 | 175.2 | -75 | 108.3 | 0 | 0 | 0 | 110.8 | I558 Q559 N562 L568 L631 C635 C639 | I558-L637 HydrophobicContact CG2-CD1 4.31Å; Q559-L637 HydrophobicContact CG-CD1 4.19Å; Q559-L637 HydrophobicContact CG-CG 4.23Å; N562-L637 HydrophobicContact CB-CD2 3.44Å; N562-L637 WeakPolarHBondContact ND2-CD2 3.45Å; L568-L637 HydrophobicContact CB-CD2 4.5Å; L568-L637 HydrophobicContact CD1-CB 4.24Å; L631-L637 HydrophobicContact CB-CD1 3.89Å; L631-L637 HydrophobicContact CD2-CD1 4.04Å; L631-L637 HydrophobicContact CD2-CD2 4.47Å; L631-L637 HydrophobicContact CG-CD1 4.35Å; L631-L637 VanDerWaalsContact O-CB 3.24Å; L631-L637 WeakPolarHBondContact O-CB 3.38Å; L631-L637 VanDerWaalsContact O-CD1 3.25Å; L631-L637 WeakPolarHBondContact O-CD1 3.31Å; L631-L637 WeakPolarHBondContact O-CG 3.34Å; L631-L637 PolarHBondContact O-N 3.15Å; L631-L637 VanDerWaalsContact O-N 3.1Å; C635-L637 VanDerWaalsContact C-N 3.3Å; C635-L637 HydrophobicContact CB-CD1 3.67Å; C635-L637 VanDerWaalsContact CB-CD1 3.42Å; C635-L637 HydrophobicContact CB-CG 4.24Å; C635-L637 WeakPolarHBondContact O-CD1 3.44Å; C635-L637 PolarHBondContact O-N 3.14Å; L637-C639 PolarHBondContact O-N 3Å |
| 638 | L | 83.8 | Confident | 86.6 | Confident | 113.333 Ų | 113.333 | 40.5 Ų | 40.5 | 59% | 0.593 | 20% | 0.204 | S | C | * | . | P | Polyproline II helix | trans | -69.8 | 122.5 | 169.9 | -92.1 | 147.9 | 0 | 0 | 0 | 109.9 | H636 I699 Y700 | H636-L638 PolarHBondContact O-N 3.26Å; L638-I699 HydrophobicContact CD1-CD1 3.95Å; L638-I699 HydrophobicContact CD1-CG2 3.93Å; L638-I699 HydrophobicContact CD2-CD1 3.56Å; L638-Y700 WeakPolarHBondContact CA-OH 3.29Å; L638-Y700 HydrophobicContact CD1-CE2 4.44Å; L638-Y700 VanDerWaalsContact CD1-OH 3.26Å; L638-Y700 WeakPolarHBondContact CD1-OH 3.25Å |
| 639 | C | 85.5 | Confident | 86.5 | Confident | 2.66667 Ų | 2.66667 | 42.2 Ų | 42.2 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 124.7 | 173.6 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | L568 I632 L637 I641 L644 Y700 | L568-C639 HydrophobicContact CD1-CB 4.18Å; L568-C639 HydrophobicContact CD2-CB 4.21Å; I632-C639 HydrophobicContact CD1-CB 3.96Å; I632-C639 HydrophobicContact CG1-CB 4.3Å; L637-C639 PolarHBondContact O-N 3Å; C639-I641 PolarHBondContact O-N 3.42Å; C639-L644 HydrophobicContact CB-CD1 4.39Å; C639-L644 HydrophobicContact CB-CD2 4.04Å; C639-L644 HydrophobicContact CB-CG 4.07Å; C639-L644 VanDerWaalsContact SG-CD2 3.56Å; C639-Y700 WeakPolarHBondContact CA-OH 3.41Å; C639-Y700 PolarHBondContact N-OH 3.15Å; C639-Y700 VanDerWaalsContact O-CE1 3.31Å; C639-Y700 WeakPolarHBondContact O-CE1 3.29Å; C639-Y700 PolarHBondContact O-OH 3.16Å; C639-Y700 VanDerWaalsContact O-OH 3.07Å |
| 640 | P | 88.6 | Confident | 86.3 | Confident | 65.3333 Ų | 65.3333 | 36.6 Ų | 36.6 | 42% | 0.424 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -53.6 | 141.2 | 167.9 | -26.2 | 33.7 | 0 | 0 | 0 | 112 | D642 L643 L644 | P640-D642 VanDerWaalsContact C-N 3.27Å; P640-D642 PolarHBondContact O-N 3.19Å; P640-L643 HydrophobicContact CB-CD1 4.25Å; P640-L643 HydrophobicContact CB-CG 4.31Å; P640-L643 HydrophobicContact CG-CD1 4.18Å; P640-L643 HydrophobicContact CG-CG 4.49Å; P640-L643 WeakPolarHBondContact O-CB 3.36Å; P640-L643 PolarHBondContact O-N 3.22Å; P640-L643 VanDerWaalsContact O-N 3.12Å; P640-L644 PolarHBondContact O-N 3.05Å |
| 641 | I | 88.5 | Confident | 86.3 | Confident | 88.3333 Ų | 88.3333 | 36.1 Ų | 36.1 | 45% | 0.453 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.8 | -38.1 | -176.7 | -65 | 175.3 | 0 | 0 | 0 | 111.1 | C639 L643 L644 Q645 Y700 F703 | C639-I641 PolarHBondContact O-N 3.42Å; I641-L643 VanDerWaalsContact C-N 3.28Å; I641-L643 PolarHBondContact O-N 3.21Å; I641-L644 PolarHBondContact O-N 3.15Å; I641-L644 VanDerWaalsContact O-N 3.13Å; I641-Q645 WeakPolarHBondContact O-CB 3.3Å; I641-Q645 PolarHBondContact O-N 3.07Å; I641-Y700 HydrophobicContact CG1-CD1 4.41Å; I641-Y700 HydrophobicContact CG1-CE1 4.32Å; I641-F703 HydrophobicContact CG2-CB 4.18Å; I641-F703 HydrophobicContact CG2-CD2 3.49Å; I641-F703 VanDerWaalsContact CG2-CD2 3.46Å; I641-F703 HydrophobicContact CG2-CE2 4.15Å; I641-F703 HydrophobicContact CG2-CG 4Å |
| 642 | D | 88.4 | Confident | 86.2 | Confident | 134 Ų | 134 | 36.6 Ų | 36.6 | 72% | 0.717 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -58.6 | -35.6 | 177.9 | -47.5 | -54.5 | 0 | 0 | 0 | 112.7 | P640 Q645 G646 | P640-D642 VanDerWaalsContact C-N 3.27Å; P640-D642 PolarHBondContact O-N 3.19Å; D642-Q645 PolarHBondContact O-N 3.4Å; D642-G646 PolarHBondContact O-N 2.92Å |
| 643 | L | 89.9 | Confident | 86 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -75.5 | -37.3 | 178.4 | -63.7 | -175.1 | 0 | 0 | 0 | 111.5 | L568 K569 V572 P640 I641 Q645 G646 I647 | L568-L643 HydrophobicContact CD2-CD1 3.84Å; L568-L643 HydrophobicContact CG-CD1 4.45Å; K569-L643 HydrophobicContact CB-CD1 3.89Å; K569-L643 HydrophobicContact CB-CD2 4.48Å; K569-L643 HydrophobicContact CD-CD2 4.42Å; K569-L643 HydrophobicContact CG-CD1 4.24Å; K569-L643 HydrophobicContact CG-CD2 4Å; V572-L643 HydrophobicContact CB-CB 4.42Å; V572-L643 HydrophobicContact CB-CD2 4.28Å; V572-L643 HydrophobicContact CG1-CB 4.1Å; V572-L643 HydrophobicContact CG1-CD2 4.1Å; V572-L643 HydrophobicContact CG2-CB 4.12Å; P640-L643 HydrophobicContact CB-CD1 4.25Å; P640-L643 HydrophobicContact CB-CG 4.31Å; P640-L643 HydrophobicContact CG-CD1 4.18Å; P640-L643 HydrophobicContact CG-CG 4.49Å; P640-L643 WeakPolarHBondContact O-CB 3.36Å; P640-L643 PolarHBondContact O-N 3.22Å; P640-L643 VanDerWaalsContact O-N 3.12Å; I641-L643 VanDerWaalsContact C-N 3.28Å; I641-L643 PolarHBondContact O-N 3.21Å; L643-Q645 VanDerWaalsContact C-N 3.33Å; L643-G646 PolarHBondContact O-N 2.9Å; L643-I647 WeakPolarHBondContact O-CG1 3.42Å; L643-I647 PolarHBondContact O-N 3.37Å; L643-I647 VanDerWaalsContact O-N 3.12Å |
| 644 | L | 90.4 | Very high | 85.3 | Confident | 0.333333 Ų | 0.333333 | 41.5 Ų | 41.5 | 0% | 0.002 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 171.8 | -65.2 | 177.7 | 0 | 0 | 0 | 111.5 | I632 C639 P640 I641 G646 I647 W648 W687 F691 Y700 F703 | I632-L644 HydrophobicContact CD1-CD2 4.43Å; C639-L644 HydrophobicContact CB-CD1 4.39Å; C639-L644 HydrophobicContact CB-CD2 4.04Å; C639-L644 HydrophobicContact CB-CG 4.07Å; C639-L644 VanDerWaalsContact SG-CD2 3.56Å; P640-L644 PolarHBondContact O-N 3.05Å; I641-L644 PolarHBondContact O-N 3.15Å; I641-L644 VanDerWaalsContact O-N 3.13Å; L644-G646 VanDerWaalsContact C-N 3.31Å; L644-G646 PolarHBondContact O-N 3.16Å; L644-I647 HydrophobicContact CD2-CD1 4.28Å; L644-I647 PolarHBondContact O-N 3.27Å; L644-W648 WeakPolarHBondContact O-CB 3.36Å; L644-W648 PolarHBondContact O-N 3.43Å; L644-W687 HydrophobicContact CD2-CH2 3.94Å; L644-W687 HydrophobicContact CD2-CZ3 4.16Å; L644-F691 HydrophobicContact CD1-CE1 4.32Å; L644-F691 HydrophobicContact CD2-CE1 4.32Å; L644-F691 HydrophobicContact CD2-CZ 3.94Å; L644-Y700 HydrophobicContact CD1-CD1 3.42Å; L644-Y700 VanDerWaalsContact CD1-CD1 3.43Å; L644-Y700 HydrophobicContact CD1-CD2 4.36Å; L644-Y700 HydrophobicContact CD1-CE1 3.44Å; L644-Y700 VanDerWaalsContact CD1-CE1 3.47Å; L644-Y700 HydrophobicContact CD1-CE2 4.36Å; L644-Y700 HydrophobicContact CD1-CG 3.91Å; L644-F703 HydrophobicContact CB-CD1 4.37Å; L644-F703 HydrophobicContact CB-CE1 3.59Å; L644-F703 HydrophobicContact CB-CE2 4.12Å; L644-F703 HydrophobicContact CB-CZ 3.44Å; L644-F703 VanDerWaalsContact CB-CZ 3.44Å; L644-F703 HydrophobicContact CD1-CD1 4.21Å; L644-F703 HydrophobicContact CD1-CE1 4.06Å; L644-F703 HydrophobicContact CG-CE1 4.38Å |
| 645 | Q | 90.2 | Very high | 84.7 | Confident | 53.6667 Ų | 53.6667 | 39.1 Ų | 39.1 | 25% | 0.251 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 172.8 | -169.6 | 65.4 | 49.6 | 0 | 0 | 110.9 | I641 D642 L643 I647 W648 D649 F703 N707 | I641-Q645 WeakPolarHBondContact O-CB 3.3Å; I641-Q645 PolarHBondContact O-N 3.07Å; D642-Q645 PolarHBondContact O-N 3.4Å; L643-Q645 VanDerWaalsContact C-N 3.33Å; Q645-I647 PolarHBondContact O-N 3.42Å; Q645-W648 PolarHBondContact O-N 2.92Å; Q645-D649 VanDerWaalsContact NE2-CG 3.29Å; Q645-D649 PolarHBondContact NE2-OD1 3.19Å; Q645-D649 PolarHBondContact NE2-OD2 3.25Å; Q645-D649 VanDerWaalsContact NE2-OD2 3.15Å; Q645-D649 VanDerWaalsContact O-CB 3.27Å; Q645-D649 WeakPolarHBondContact O-CB 3.4Å; Q645-D649 VanDerWaalsContact O-CG 3.32Å; Q645-D649 PolarHBondContact O-N 3.11Å; Q645-F703 HydrophobicContact CB-CE2 4.05Å; Q645-F703 VanDerWaalsContact OE1-CE2 3.29Å; Q645-N707 PolarHBondContact NE2-OD1 3.24Å; Q645-N707 PolarHBondContact OE1-ND2 3.11Å; Q645-N707 PolarHBondContact OE1-OD1 3.31Å |
| 646 | G | 88 | Confident | 84.4 | Confident | 17.6667 Ų | 17.6667 | 41 Ų | 41 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D642 L643 L644 S650 | D642-G646 PolarHBondContact O-N 2.92Å; L643-G646 PolarHBondContact O-N 2.9Å; L644-G646 VanDerWaalsContact C-N 3.31Å; L644-G646 PolarHBondContact O-N 3.16Å; G646-S650 VanDerWaalsContact O-CB 3.32Å; G646-S650 WeakPolarHBondContact O-CB 3.42Å; G646-S650 PolarHBondContact O-N 3.04Å; G646-S650 PolarHBondContact O-OG 3.18Å |
| 647 | I | 89.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -50.8 | 174.3 | -60.1 | 166.7 | 0 | 0 | 0 | 110.5 | V572 L625 L628 L643 L644 Q645 D649 S650 L651 W687 F688 | V572-I647 HydrophobicContact CB-CG1 4.49Å; V572-I647 HydrophobicContact CG1-CG1 4.1Å; V572-I647 HydrophobicContact CG2-CD1 3.91Å; V572-I647 HydrophobicContact CG2-CG1 4.04Å; L625-I647 HydrophobicContact CD2-CG2 4.2Å; L628-I647 HydrophobicContact CD1-CD1 3.63Å; L628-I647 HydrophobicContact CD1-CG1 4.39Å; L643-I647 WeakPolarHBondContact O-CG1 3.42Å; L643-I647 PolarHBondContact O-N 3.37Å; L643-I647 VanDerWaalsContact O-N 3.12Å; L644-I647 HydrophobicContact CD2-CD1 4.28Å; L644-I647 PolarHBondContact O-N 3.27Å; Q645-I647 PolarHBondContact O-N 3.42Å; I647-D649 VanDerWaalsContact C-N 3.34Å; I647-D649 PolarHBondContact O-N 3.22Å; I647-S650 PolarHBondContact O-N 2.94Å; I647-S650 PolarHBondContact O-OG 3.16Å; I647-L651 HydrophobicContact CG2-CD1 3.99Å; I647-L651 WeakPolarHBondContact O-CG 3.21Å; I647-L651 PolarHBondContact O-N 3.35Å; I647-W687 HydrophobicContact CD1-CH2 3.56Å; I647-W687 VanDerWaalsContact CD1-CH2 3.44Å; I647-W687 HydrophobicContact CD1-CZ2 4.38Å; I647-W687 HydrophobicContact CD1-CZ3 3.83Å; I647-W687 HydrophobicContact CG2-CE3 4.37Å; I647-W687 HydrophobicContact CG2-CZ3 4.17Å; I647-F688 HydrophobicContact CG2-CE2 4.33Å; I647-F688 HydrophobicContact CG2-CZ 4.46Å |
| 648 | W | 89.9 | Confident | 82.7 | Confident | 7.66667 Ų | 7.66667 | 45 Ų | 45 | 3% | 0.029 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.7 | -48.2 | -178.8 | -178.1 | -86.5 | 0 | 0 | 0 | 111.5 | L644 Q645 L651 L652 F685 F688 N707 I711 F723 | L644-W648 WeakPolarHBondContact O-CB 3.36Å; L644-W648 PolarHBondContact O-N 3.43Å; Q645-W648 PolarHBondContact O-N 2.92Å; W648-L651 PolarHBondContact O-N 3.45Å; W648-L652 HydrophobicContact CD2-CD1 3.82Å; W648-L652 HydrophobicContact CE3-CD1 4.24Å; W648-L652 HydrophobicContact CG-CD1 4.37Å; W648-L652 HydrophobicContact CH2-CD1 4.1Å; W648-L652 HydrophobicContact CZ2-CD1 3.68Å; W648-L652 HydrophobicContact CZ3-CD1 4.36Å; W648-L652 WeakPolarHBondContact O-CB 3.3Å; W648-L652 PolarHBondContact O-N 3.27Å; W648-F685 HydrophobicContact CH2-CE1 4.39Å; W648-F688 HydrophobicContact CB-CE2 4.2Å; W648-F688 HydrophobicContact CB-CZ 4.22Å; W648-F688 HydrophobicContact CD2-CE2 4.42Å; W648-F688 HydrophobicContact CE3-CD1 4.42Å; W648-F688 AromaticContact CE3-CD2 3.65Å; W648-F688 HydrophobicContact CE3-CD2 3.65Å; W648-F688 HydrophobicContact CE3-CE1 4.3Å; W648-F688 AromaticContact CE3-CE2 3.53Å; W648-F688 HydrophobicContact CE3-CE2 3.53Å; W648-F688 VanDerWaalsContact CE3-CE2 3.49Å; W648-F688 AromaticContact CE3-CG 3.97Å; W648-F688 HydrophobicContact CE3-CG 4.12Å; W648-F688 AromaticContact CE3-CZ 3.8Å; W648-F688 HydrophobicContact CE3-CZ 3.87Å; W648-F688 HydrophobicContact CZ3-CB 4.35Å; W648-F688 HydrophobicContact CZ3-CD1 4.49Å; W648-F688 AromaticContact CZ3-CD2 3.92Å; W648-F688 HydrophobicContact CZ3-CD2 3.92Å; W648-F688 HydrophobicContact CZ3-CE2 4.27Å; W648-F688 HydrophobicContact CZ3-CG 4.08Å; W648-N707 VanDerWaalsContact CD1-OD1 3.23Å; W648-N707 HydrophobicContact CD2-CB 4.02Å; W648-N707 HydrophobicContact CE3-CB 4.39Å; W648-N707 HydrophobicContact CG-CB 4.47Å; W648-N707 HydrophobicContact CH2-CB 4.25Å; W648-N707 HydrophobicContact CZ2-CB 3.72Å; W648-N707 HydrophobicContact CZ3-CB 4.5Å; W648-N707 PolarHBondContact NE1-OD1 3.03Å; W648-I711 HydrophobicContact CH2-CD1 3.9Å; W648-I711 HydrophobicContact CH2-CG1 4.22Å; W648-I711 HydrophobicContact CZ2-CD1 3.87Å; W648-I711 HydrophobicContact CZ2-CG1 3.66Å; W648-F723 AromaticContact CH2-CE1 3.87Å; W648-F723 HydrophobicContact CH2-CE1 4.07Å; W648-F723 AromaticContact CH2-CZ 3.93Å; W648-F723 HydrophobicContact CH2-CZ 4.16Å; W648-F723 HydrophobicContact CZ3-CE1 4.3Å; W648-F723 AromaticContact CZ3-CZ 3.97Å; W648-F723 HydrophobicContact CZ3-CZ 4.18Å |
| 649 | D | 87.9 | Confident | 81.3 | Confident | 34.6667 Ų | 34.6667 | 46.3 Ų | 46.3 | 19% | 0.185 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.5 | -38.7 | -178.3 | -73.5 | -6.1 | 0 | 0 | 0 | 112.1 | Q645 I647 L651 L652 K653 T655 | Q645-D649 VanDerWaalsContact NE2-CG 3.29Å; Q645-D649 PolarHBondContact NE2-OD1 3.19Å; Q645-D649 PolarHBondContact NE2-OD2 3.25Å; Q645-D649 VanDerWaalsContact NE2-OD2 3.15Å; Q645-D649 VanDerWaalsContact O-CB 3.27Å; Q645-D649 WeakPolarHBondContact O-CB 3.4Å; Q645-D649 VanDerWaalsContact O-CG 3.32Å; Q645-D649 PolarHBondContact O-N 3.11Å; I647-D649 VanDerWaalsContact C-N 3.34Å; I647-D649 PolarHBondContact O-N 3.22Å; D649-L651 VanDerWaalsContact C-N 3.28Å; D649-L651 PolarHBondContact O-N 3.05Å; D649-L652 PolarHBondContact O-N 2.97Å; D649-K653 HydrophobicContact CB-CB 4.43Å; D649-K653 HydrophobicContact CB-CD 4.15Å; D649-K653 HydrophobicContact CB-CG 4.47Å; D649-K653 CarbonylContact O-C 3.38Å; D649-K653 VanDerWaalsContact O-CA 3.29Å; D649-K653 WeakPolarHBondContact O-CA 3.35Å; D649-K653 VanDerWaalsContact O-CB 3.27Å; D649-K653 WeakPolarHBondContact O-CB 3.4Å; D649-K653 PolarHBondContact O-N 3.01Å; D649-K653 VanDerWaalsContact OD1-CD 3.32Å; D649-K653 WeakPolarHBondContact OD1-CD 3.42Å; D649-K653 WeakPolarHBondContact OD1-CE 3.2Å; D649-K653 IonicContact OD1-NZ 3.14Å; D649-K653 PolarHBondContact OD1-NZ 3.04Å; D649-K653 IonicContact OD2-NZ 3.77Å; D649-K653 PolarHBondContact OD2-NZ 2.82Å; D649-T655 HydrophobicContact CB-CG2 4.34Å |
| 650 | S | 85.2 | Confident | 79.7 | Confident | 0.333333 Ų | 0.333333 | 47.7 Ų | 47.7 | 0% | 0.002 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -25.7 | 178.1 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | M579 H583 G646 I647 | M579-S650 WeakPolarHBondContact CB-O 3.49Å; H583-S650 PolarHBondContact NE2-O 3.12Å; G646-S650 VanDerWaalsContact O-CB 3.32Å; G646-S650 WeakPolarHBondContact O-CB 3.42Å; G646-S650 PolarHBondContact O-N 3.04Å; G646-S650 PolarHBondContact O-OG 3.18Å; I647-S650 PolarHBondContact O-N 2.94Å; I647-S650 PolarHBondContact O-OG 3.16Å |
| 651 | L | 86 | Confident | 77.9 | Confident | 0.333333 Ų | 0.333333 | 52.2 Ų | 52.2 | 0% | 0.002 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -98.8 | -26.8 | -179.5 | -65.2 | 171.7 | 0 | 0 | 0 | 113.9 | M579 V621 L625 I647 W648 D649 I676 C684 | M579-L651 HydrophobicContact CE-CD2 4.22Å; M579-L651 HydrophobicContact CG-CD2 3.96Å; M579-L651 HydrophobicContact SD-CD2 3.67Å; M579-L651 VanDerWaalsContact SD-CD2 3.56Å; V621-L651 HydrophobicContact CG1-CD2 4.22Å; L625-L651 HydrophobicContact CD1-CD1 4.43Å; I647-L651 HydrophobicContact CG2-CD1 3.99Å; I647-L651 WeakPolarHBondContact O-CG 3.21Å; I647-L651 PolarHBondContact O-N 3.35Å; W648-L651 PolarHBondContact O-N 3.45Å; D649-L651 VanDerWaalsContact C-N 3.28Å; D649-L651 PolarHBondContact O-N 3.05Å; L651-I676 WeakPolarHBondContact O-CG2 3.22Å; L651-C684 HydrophobicContact CB-CB 3.76Å; L651-C684 HydrophobicContact CD1-CB 3.75Å; L651-C684 HydrophobicContact CG-CB 4.38Å |
| 652 | L | 83.4 | Confident | 76.3 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -116 | -5.1 | -175.4 | -63.2 | 174.5 | 0 | 0 | 0 | 114.3 | W648 D649 I676 C681 C684 F685 L715 | W648-L652 HydrophobicContact CD2-CD1 3.82Å; W648-L652 HydrophobicContact CE3-CD1 4.24Å; W648-L652 HydrophobicContact CG-CD1 4.37Å; W648-L652 HydrophobicContact CH2-CD1 4.1Å; W648-L652 HydrophobicContact CZ2-CD1 3.68Å; W648-L652 HydrophobicContact CZ3-CD1 4.36Å; W648-L652 WeakPolarHBondContact O-CB 3.3Å; W648-L652 PolarHBondContact O-N 3.27Å; D649-L652 PolarHBondContact O-N 2.97Å; L652-I676 VanDerWaalsContact O-CD1 3.31Å; L652-I676 WeakPolarHBondContact O-CD1 3.47Å; L652-C681 HydrophobicContact CD2-CB 4.12Å; L652-C684 HydrophobicContact CD1-CB 4.19Å; L652-C684 VanDerWaalsContact CD1-SG 3.55Å; L652-C684 HydrophobicContact CD2-CB 4.29Å; L652-C684 HydrophobicContact CG-CB 4.22Å; L652-F685 HydrophobicContact CD1-CE1 4.1Å; L652-F685 HydrophobicContact CD1-CZ 4.31Å; L652-F685 HydrophobicContact CD2-CE1 4.45Å; L652-F685 HydrophobicContact CD2-CE2 4.27Å; L652-F685 HydrophobicContact CD2-CZ 3.94Å; L652-L715 VanDerWaalsContact O-CD1 3.28Å; L652-L715 WeakPolarHBondContact O-CD1 3.31Å |
| 653 | K | 82.2 | Confident | 74.5 | Confident | 90.3333 Ų | 90.3333 | 49.9 Ų | 49.9 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -129 | 150.8 | 173.2 | -56.7 | 178.5 | -170.7 | 158.2 | 0 | 109.6 | D649 T655 | D649-K653 HydrophobicContact CB-CB 4.43Å; D649-K653 HydrophobicContact CB-CD 4.15Å; D649-K653 HydrophobicContact CB-CG 4.47Å; D649-K653 CarbonylContact O-C 3.38Å; D649-K653 VanDerWaalsContact O-CA 3.29Å; D649-K653 WeakPolarHBondContact O-CA 3.35Å; D649-K653 VanDerWaalsContact O-CB 3.27Å; D649-K653 WeakPolarHBondContact O-CB 3.4Å; D649-K653 PolarHBondContact O-N 3.01Å; D649-K653 VanDerWaalsContact OD1-CD 3.32Å; D649-K653 WeakPolarHBondContact OD1-CD 3.42Å; D649-K653 WeakPolarHBondContact OD1-CE 3.2Å; D649-K653 IonicContact OD1-NZ 3.14Å; D649-K653 PolarHBondContact OD1-NZ 3.04Å; D649-K653 IonicContact OD2-NZ 3.77Å; D649-K653 PolarHBondContact OD2-NZ 2.82Å; K653-T655 PolarHBondContact O-N 2.97Å |
| 654 | P | 70.6 | Confident | 72.9 | Confident | 25.6667 Ų | 25.6667 | 53.1 Ų | 53.1 | 17% | 0.167 | 29% | 0.288 | C | S | . | . | trans | -78.9 | 92.7 | 177.7 | 32.2 | -32.9 | 0 | 0 | 0 | 108.8 | F656 V668 H672 I675 | P654-F656 HydrophobicContact CB-CE2 3.94Å; P654-F656 HydrophobicContact CB-CZ 4.17Å; P654-F656 WeakPolarHBondContact O-CD2 3.45Å; P654-F656 WeakPolarHBondContact O-CE2 3.37Å; P654-V668 HydrophobicContact CB-CG1 3.83Å; P654-V668 HydrophobicContact CG-CG1 3.43Å; P654-V668 VanDerWaalsContact CG-CG1 3.43Å; P654-H672 WeakPolarHBondContact CD-CE1 3.01Å; P654-H672 VanDerWaalsContact CD-ND1 3.35Å; P654-H672 WeakPolarHBondContact CD-ND1 3.33Å; P654-I675 HydrophobicContact CB-CB 4.5Å; P654-I675 HydrophobicContact CB-CD1 4.37Å; P654-I675 HydrophobicContact CB-CG2 4.06Å | ||
| 655 | T | 69.7 | Low | 71.5 | Confident | 30.6667 Ų | 30.6667 | 59.3 Ų | 59.3 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | trans | -89.4 | 136.3 | 179.6 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | W580 H583 D649 K653 | W580-T655 VanDerWaalsContact CD1-OG1 3.3Å; W580-T655 PolarHBondContact NE1-OG1 3.27Å; H583-T655 PolarHBondContact CD2-O 3.38Å; D649-T655 HydrophobicContact CB-CG2 4.34Å; K653-T655 PolarHBondContact O-N 2.97Å | ||
| 656 | F | 72.2 | Confident | 70.2 | Confident | 41.6667 Ų | 41.6667 | 64.3 Ų | 64.3 | 18% | 0.183 | 34% | 0.339 | C | S | . | . | trans | -134.7 | 157 | 176.3 | -56.9 | -81.2 | 0 | 0 | 0 | 110.2 | W580 H583 E584 L587 P654 S660 I662 V668 I675 | W580-F656 AromaticContact CD1-CD1 3.73Å; W580-F656 AromaticContact NE1-CD1 3.9Å; H583-F656 HydrophobicContact CB-CD1 4.3Å; H583-F656 HydrophobicContact CB-CE1 4.03Å; H583-F656 HydrophobicContact CB-CZ 4.23Å; E584-F656 HydrophobicContact CB-CE1 4.12Å; L587-F656 HydrophobicContact CB-CE1 4.3Å; L587-F656 HydrophobicContact CB-CZ 4.42Å; L587-F656 HydrophobicContact CD1-CE1 3.83Å; L587-F656 HydrophobicContact CD1-CE2 4.34Å; L587-F656 HydrophobicContact CD1-CZ 3.51Å; L587-F656 HydrophobicContact CD2-CE1 4.05Å; L587-F656 HydrophobicContact CD2-CZ 3.84Å; P654-F656 HydrophobicContact CB-CE2 3.94Å; P654-F656 HydrophobicContact CB-CZ 4.17Å; P654-F656 WeakPolarHBondContact O-CD2 3.45Å; P654-F656 WeakPolarHBondContact O-CE2 3.37Å; F656-S660 WeakPolarHBondContact CB-OG 3.45Å; F656-I662 HydrophobicContact CB-CD1 3.33Å; F656-I662 HydrophobicContact CD1-CD1 3.88Å; F656-I662 HydrophobicContact CD2-CD1 3.14Å; F656-I662 HydrophobicContact CE1-CD1 4.29Å; F656-I662 HydrophobicContact CE2-CD1 3.79Å; F656-I662 HydrophobicContact CG-CD1 3.03Å; F656-I662 HydrophobicContact CZ-CD1 4.29Å; F656-V668 HydrophobicContact CD2-CG1 4.22Å; F656-V668 HydrophobicContact CD2-CG2 4.01Å; F656-V668 HydrophobicContact CE2-CB 4.33Å; F656-V668 HydrophobicContact CE2-CG1 3.9Å; F656-V668 HydrophobicContact CE2-CG2 3.84Å; F656-V668 HydrophobicContact CZ-CG2 4.41Å; F656-I675 HydrophobicContact CZ-CD1 4.43Å; F656-I675 HydrophobicContact CZ-CG2 4.46Å | ||
| 657 | Q | 67.3 | Low | 69.2 | Low | 94 Ų | 94 | 65.8 Ų | 65.8 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | trans | -68.5 | 138.3 | 174.8 | -169.6 | 176.9 | 21.1 | 0 | 0 | 110.8 | W580 N659 S660 | W580-Q657 HydrophobicContact CD2-CB 4.17Å; W580-Q657 HydrophobicContact CE3-CB 3.86Å; W580-Q657 HydrophobicContact CE3-CG 3.96Å; W580-Q657 HydrophobicContact CH2-CB 3.42Å; W580-Q657 VanDerWaalsContact CH2-CB 3.42Å; W580-Q657 HydrophobicContact CH2-CG 4.28Å; W580-Q657 VanDerWaalsContact CH2-OE1 3.31Å; W580-Q657 HydrophobicContact CZ2-CB 3.86Å; W580-Q657 HydrophobicContact CZ3-CB 3.73Å; W580-Q657 HydrophobicContact CZ3-CG 4.04Å; Q657-N659 PolarHBondContact O-N 3.27Å; Q657-S660 WeakPolarHBondContact O-CB 3.3Å; Q657-S660 PolarHBondContact O-N 3.14Å; Q657-S660 VanDerWaalsContact O-N 3.12Å; Q657-S660 PolarHBondContact O-OG 3.2Å | ||
| 658 | S | 59.2 | Low | 68.1 | Low | 108 Ų | 108 | 66.3 Ų | 66.3 | 76% | 0.755 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -16.9 | -174.1 | -48.2 | 0 | 0 | 0 | 0 | 115.7 | N663 | S658-N663 PolarHBondContact O-ND2 3.48Š|
| 659 | N | 53.8 | Low | 66.9 | Low | 140.667 Ų | 140.667 | 70.7 Ų | 70.7 | 75% | 0.752 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -3.3 | -179 | -64.8 | -2.9 | 0 | 0 | 0 | 113.4 | Q657 I661 | Q657-N659 PolarHBondContact O-N 3.27Å; N659-I661 PolarHBondContact O-N 3.31Å |
| 660 | S | 52.5 | Low | 65.8 | Low | 30.6667 Ų | 30.6667 | 76.3 Ų | 76.3 | 21% | 0.214 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -73.6 | 129.9 | 177.1 | 94.4 | 0 | 0 | 0 | 0 | 110.4 | F656 Q657 I662 N663 | F656-S660 WeakPolarHBondContact CB-OG 3.45Å; Q657-S660 WeakPolarHBondContact O-CB 3.3Å; Q657-S660 PolarHBondContact O-N 3.14Å; Q657-S660 VanDerWaalsContact O-N 3.12Å; Q657-S660 PolarHBondContact O-OG 3.2Å; S660-I662 PolarHBondContact O-N 3Å; S660-I662 VanDerWaalsContact O-N 3.08Å; S660-I662 WeakPolarHBondContact OG-CD1 3.16Å; S660-N663 VanDerWaalsContact O-CB 3.3Å; S660-N663 WeakPolarHBondContact O-CB 3.49Å; S660-N663 PolarHBondContact O-N 2.97Å; S660-N663 VanDerWaalsContact O-N 3.14Å; S660-N663 PolarHBondContact O-ND2 3.16Å; S660-N663 PolarHBondContact O-OD1 3.5Å |
| 661 | I | 51.6 | Low | 64.9 | Low | 161 Ų | 161 | 77.6 Ų | 77.6 | 83% | 0.826 | 40% | 0.398 | S | S | * | . | trans | -72.3 | 39.6 | -178.5 | -56.5 | 171.8 | 0 | 0 | 0 | 109.7 | N659 N663 | N659-I661 PolarHBondContact O-N 3.31Å; I661-N663 VanDerWaalsContact C-N 3.25Å; I661-N663 WeakPolarHBondContact CG2-OD1 3.26Å; I661-N663 PolarHBondContact O-N 3.32Å; I661-N663 VanDerWaalsContact O-N 3.07Å | ||
| 662 | I | 54.3 | Low | 63.9 | Low | 46.6667 Ų | 46.6667 | 79.1 Ų | 79.1 | 24% | 0.239 | 41% | 0.405 | C | S | . | . | trans | -95.6 | 43.9 | -180 | -44 | 175.5 | 0 | 0 | 0 | 109.9 | L587 I591 F656 S660 N664 V668 | L587-I662 HydrophobicContact CD1-CD1 4.22Å; L587-I662 HydrophobicContact CD1-CG2 3.97Å; L587-I662 HydrophobicContact CD2-CD1 3.93Å; L587-I662 HydrophobicContact CD2-CG2 4.03Å; I591-I662 HydrophobicContact CD1-CG2 4.36Å; F656-I662 HydrophobicContact CB-CD1 3.33Å; F656-I662 HydrophobicContact CD1-CD1 3.88Å; F656-I662 HydrophobicContact CD2-CD1 3.14Å; F656-I662 HydrophobicContact CE1-CD1 4.29Å; F656-I662 HydrophobicContact CE2-CD1 3.79Å; F656-I662 HydrophobicContact CG-CD1 3.03Å; F656-I662 HydrophobicContact CZ-CD1 4.29Å; S660-I662 PolarHBondContact O-N 3Å; S660-I662 VanDerWaalsContact O-N 3.08Å; S660-I662 WeakPolarHBondContact OG-CD1 3.16Å; I662-N664 HydrophobicContact CG2-CB 4.3Å; I662-N664 PolarHBondContact O-N 3.17Å; I662-V668 HydrophobicContact CG2-CG2 4Å | ||
| 663 | N | 50 | Low | 63.1 | Low | 127 Ų | 127 | 82.4 Ų | 82.4 | 68% | 0.679 | 42% | 0.423 | S | S | * | . | trans | -61.7 | 4.8 | 173.6 | -78.7 | -11.2 | 0 | 0 | 0 | 114.7 | S658 S660 I661 H665 | S658-N663 PolarHBondContact O-ND2 3.48Å; S660-N663 VanDerWaalsContact O-CB 3.3Å; S660-N663 WeakPolarHBondContact O-CB 3.49Å; S660-N663 PolarHBondContact O-N 2.97Å; S660-N663 VanDerWaalsContact O-N 3.14Å; S660-N663 PolarHBondContact O-ND2 3.16Å; S660-N663 PolarHBondContact O-OD1 3.5Å; I661-N663 VanDerWaalsContact C-N 3.25Å; I661-N663 WeakPolarHBondContact CG2-OD1 3.26Å; I661-N663 PolarHBondContact O-N 3.32Å; I661-N663 VanDerWaalsContact O-N 3.07Å; N663-H665 VanDerWaalsContact C-N 3.28Å; N663-H665 PolarHBondContact O-N 3.31Å | ||
| 664 | N | 57.4 | Low | 62.5 | Low | 91.6667 Ų | 91.6667 | 83.3 Ų | 83.3 | 49% | 0.49 | 43% | 0.428 | S | S | . | . | trans | -88.6 | 64.1 | 177.9 | -77.4 | -31.7 | 0 | 0 | 0 | 111.4 | I662 H666 I667 V668 | I662-N664 HydrophobicContact CG2-CB 4.3Å; I662-N664 PolarHBondContact O-N 3.17Å; N664-H666 PolarHBondContact O-N 3.45Å; N664-H666 VanDerWaalsContact O-N 3.08Å; N664-I667 HydrophobicContact CB-CB 4.16Å; N664-I667 HydrophobicContact CB-CD1 3.78Å; N664-I667 HydrophobicContact CB-CG1 3.95Å; N664-I667 WeakPolarHBondContact O-CA 3.39Å; N664-I667 WeakPolarHBondContact O-CB 3.17Å; N664-I667 PolarHBondContact O-N 3.27Å; N664-V668 PolarHBondContact O-N 3.08Å | ||
| 665 | H | 61.6 | Low | 62.6 | Low | 131.333 Ų | 131.333 | 82.1 Ų | 82.1 | 61% | 0.608 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -50.7 | -30.3 | 174.9 | -142.4 | -44.9 | 0 | 0 | 0 | 112.7 | N663 I667 V668 N669 | N663-H665 VanDerWaalsContact C-N 3.28Å; N663-H665 PolarHBondContact O-N 3.31Å; H665-I667 PolarHBondContact O-N 2.99Å; H665-V668 PolarHBondContact O-N 3.42Å; H665-N669 PolarHBondContact CE1-ND2 2.93Å; H665-N669 VanDerWaalsContact CE1-ND2 3.33Å; H665-N669 PolarHBondContact CE1-OD1 2.93Å; H665-N669 VanDerWaalsContact CE1-OD1 3.23Å; H665-N669 PolarHBondContact ND1-ND2 3.17Å; H665-N669 VanDerWaalsContact ND1-ND2 3.15Å; H665-N669 PolarHBondContact ND1-OD1 3.24Å; H665-N669 VanDerWaalsContact O-CB 3.29Å; H665-N669 WeakPolarHBondContact O-CB 3.23Å; H665-N669 VanDerWaalsContact O-CG 3.27Å; H665-N669 PolarHBondContact O-N 3.19Å; H665-N669 PolarHBondContact O-ND2 2.85Å; H665-N669 PolarHBondContact O-OD1 2.81Å |
| 666 | H | 62 | Low | 63 | Low | 157.667 Ų | 157.667 | 80.9 Ų | 80.9 | 73% | 0.73 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.2 | -37.1 | 174.4 | -139.7 | -70.4 | 0 | 0 | 0 | 113.5 | N664 N669 K670 | N664-H666 PolarHBondContact O-N 3.45Å; N664-H666 VanDerWaalsContact O-N 3.08Å; H666-N669 PolarHBondContact O-N 3.06Å; H666-K670 VanDerWaalsContact O-CB 3.3Å; H666-K670 WeakPolarHBondContact O-CB 3.32Å; H666-K670 PolarHBondContact O-N 2.88Å |
| 667 | I | 65.9 | Low | 63.4 | Low | 50 Ų | 50 | 82.5 Ų | 82.5 | 26% | 0.256 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.4 | -46.4 | 175.5 | -63 | 179.5 | 0 | 0 | 0 | 109.3 | N664 H665 N669 K670 F671 | N664-I667 HydrophobicContact CB-CB 4.16Å; N664-I667 HydrophobicContact CB-CD1 3.78Å; N664-I667 HydrophobicContact CB-CG1 3.95Å; N664-I667 WeakPolarHBondContact O-CA 3.39Å; N664-I667 WeakPolarHBondContact O-CB 3.17Å; N664-I667 PolarHBondContact O-N 3.27Å; H665-I667 PolarHBondContact O-N 2.99Å; I667-N669 VanDerWaalsContact C-N 3.34Å; I667-N669 PolarHBondContact O-N 3.28Å; I667-K670 WeakPolarHBondContact O-CB 3.35Å; I667-K670 PolarHBondContact O-N 2.94Å; I667-K670 VanDerWaalsContact O-N 3.14Å; I667-F671 HydrophobicContact CG2-CD2 3.75Å; I667-F671 HydrophobicContact CG2-CE2 4.09Å; I667-F671 VanDerWaalsContact O-CD2 3.27Å; I667-F671 WeakPolarHBondContact O-CD2 3.27Å; I667-F671 PolarHBondContact O-N 3.07Å |
| 668 | V | 67.2 | Low | 64 | Low | 10 Ų | 10 | 81.7 Ų | 81.7 | 6% | 0.061 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | L587 P654 F656 I662 N664 H665 K670 F671 H672 I675 | L587-V668 HydrophobicContact CD1-CG2 4.28Å; P654-V668 HydrophobicContact CB-CG1 3.83Å; P654-V668 HydrophobicContact CG-CG1 3.43Å; P654-V668 VanDerWaalsContact CG-CG1 3.43Å; F656-V668 HydrophobicContact CD2-CG1 4.22Å; F656-V668 HydrophobicContact CD2-CG2 4.01Å; F656-V668 HydrophobicContact CE2-CB 4.33Å; F656-V668 HydrophobicContact CE2-CG1 3.9Å; F656-V668 HydrophobicContact CE2-CG2 3.84Å; F656-V668 HydrophobicContact CZ-CG2 4.41Å; I662-V668 HydrophobicContact CG2-CG2 4Å; N664-V668 PolarHBondContact O-N 3.08Å; H665-V668 PolarHBondContact O-N 3.42Å; V668-K670 VanDerWaalsContact C-N 3.33Å; V668-K670 PolarHBondContact O-N 3.45Å; V668-F671 CarbonylContact O-C 3.37Å; V668-F671 PolarHBondContact O-N 3.11Å; V668-H672 VanDerWaalsContact O-CA 3.32Å; V668-H672 WeakPolarHBondContact O-CA 3.39Å; V668-H672 PolarHBondContact O-N 3.26Å; V668-I675 HydrophobicContact CB-CD1 4.42Å; V668-I675 HydrophobicContact CG1-CD1 4.05Å |
| 669 | N | 65 | Low | 65.1 | Low | 100.333 Ų | 100.333 | 80.9 Ų | 80.9 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | 177.9 | -73.2 | -8.9 | 0 | 0 | 0 | 112.5 | H665 H666 I667 F671 | H665-N669 PolarHBondContact CE1-ND2 2.93Å; H665-N669 VanDerWaalsContact CE1-ND2 3.33Å; H665-N669 PolarHBondContact CE1-OD1 2.93Å; H665-N669 VanDerWaalsContact CE1-OD1 3.23Å; H665-N669 PolarHBondContact ND1-ND2 3.17Å; H665-N669 VanDerWaalsContact ND1-ND2 3.15Å; H665-N669 PolarHBondContact ND1-OD1 3.24Å; H665-N669 VanDerWaalsContact O-CB 3.29Å; H665-N669 WeakPolarHBondContact O-CB 3.23Å; H665-N669 VanDerWaalsContact O-CG 3.27Å; H665-N669 PolarHBondContact O-N 3.19Å; H665-N669 PolarHBondContact O-ND2 2.85Å; H665-N669 PolarHBondContact O-OD1 2.81Å; H666-N669 PolarHBondContact O-N 3.06Å; I667-N669 VanDerWaalsContact C-N 3.34Å; I667-N669 PolarHBondContact O-N 3.28Å; N669-F671 VanDerWaalsContact C-N 3.34Å; N669-F671 PolarHBondContact O-N 3.17Å |
| 670 | K | 64.9 | Low | 66.7 | Low | 153 Ų | 153 | 74.2 Ų | 74.2 | 67% | 0.665 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.5 | -38.5 | 178 | -174.8 | 174.8 | -179.3 | 179 | 0 | 112.1 | H666 I667 V668 | H666-K670 VanDerWaalsContact O-CB 3.3Å; H666-K670 WeakPolarHBondContact O-CB 3.32Å; H666-K670 PolarHBondContact O-N 2.88Å; I667-K670 WeakPolarHBondContact O-CB 3.35Å; I667-K670 PolarHBondContact O-N 2.94Å; I667-K670 VanDerWaalsContact O-N 3.14Å; V668-K670 VanDerWaalsContact C-N 3.33Å; V668-K670 PolarHBondContact O-N 3.45Å |
| 671 | F | 66.3 | Low | 68.3 | Low | 27 Ų | 27 | 72.8 Ų | 72.8 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 13.3 | -176.4 | -59.7 | -68.7 | 0 | 0 | 0 | 114.1 | I590 Q594 I667 V668 N669 N673 Q674 I675 | I590-F671 HydrophobicContact CD1-CB 4.48Å; I590-F671 HydrophobicContact CG2-CB 4.28Å; I590-F671 HydrophobicContact CG2-CD1 4.02Å; I590-F671 HydrophobicContact CG2-CD2 4.17Å; I590-F671 HydrophobicContact CG2-CE1 4.35Å; I590-F671 HydrophobicContact CG2-CE2 4.48Å; I590-F671 HydrophobicContact CG2-CG 3.88Å; Q594-F671 VanDerWaalsContact OE1-CZ 3.32Å; I667-F671 HydrophobicContact CG2-CD2 3.75Å; I667-F671 HydrophobicContact CG2-CE2 4.09Å; I667-F671 VanDerWaalsContact O-CD2 3.27Å; I667-F671 WeakPolarHBondContact O-CD2 3.27Å; I667-F671 PolarHBondContact O-N 3.07Å; V668-F671 CarbonylContact O-C 3.37Å; V668-F671 PolarHBondContact O-N 3.11Å; N669-F671 VanDerWaalsContact C-N 3.34Å; N669-F671 PolarHBondContact O-N 3.17Å; F671-N673 VanDerWaalsContact C-N 3.28Å; F671-N673 PolarHBondContact O-N 3.02Å; F671-N673 VanDerWaalsContact O-N 3.12Å; F671-Q674 HydrophobicContact CB-CB 4.45Å; F671-Q674 WeakPolarHBondContact O-CA 3.38Å; F671-Q674 WeakPolarHBondContact O-CB 3.4Å; F671-Q674 PolarHBondContact O-N 3.05Å; F671-I675 HydrophobicContact CB-CD1 4.23Å; F671-I675 HydrophobicContact CB-CG1 4.43Å; F671-I675 WeakPolarHBondContact O-CG1 3.3Å; F671-I675 PolarHBondContact O-N 3.34Å |
| 672 | H | 65.7 | Low | 70 | Confident | 31.3333 Ų | 31.3333 | 67 Ų | 67 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -47.1 | -46.3 | 179.8 | 177.2 | 77.2 | 0 | 0 | 0 | 113.6 | P654 V668 Q674 I675 I676 N712 L715 | P654-H672 WeakPolarHBondContact CD-CE1 3.01Å; P654-H672 VanDerWaalsContact CD-ND1 3.35Å; P654-H672 WeakPolarHBondContact CD-ND1 3.33Å; V668-H672 VanDerWaalsContact O-CA 3.32Å; V668-H672 WeakPolarHBondContact O-CA 3.39Å; V668-H672 PolarHBondContact O-N 3.26Å; H672-Q674 VanDerWaalsContact C-N 3.25Å; H672-Q674 PolarHBondContact O-N 2.86Å; H672-I675 PolarHBondContact O-N 3.31Å; H672-I676 VanDerWaalsContact CE1-CD1 3.42Å; H672-I676 WeakPolarHBondContact CE1-CD1 3.32Å; H672-I676 PolarHBondContact O-N 3.15Å; H672-I676 VanDerWaalsContact O-N 3.08Å; H672-N712 PolarHBondContact CD2-ND2 3.31Å; H672-N712 VanDerWaalsContact CD2-ND2 3.31Å; H672-N712 PolarHBondContact NE2-ND2 2.83Å; H672-L715 WeakPolarHBondContact NE2-CD1 3.15Å |
| 673 | N | 65.9 | Low | 71.6 | Confident | 82.3333 Ų | 82.3333 | 66.4 Ų | 66.4 | 44% | 0.44 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -76.2 | -3.5 | 179.5 | -56 | -32.4 | 0 | 0 | 0 | 114.4 | F671 I676 N712 K714 | F671-N673 VanDerWaalsContact C-N 3.28Å; F671-N673 PolarHBondContact O-N 3.02Å; F671-N673 VanDerWaalsContact O-N 3.12Å; N673-I676 CarbonylContact C-O 3.59Å; N673-I676 VanDerWaalsContact O-O 3.11Å; N673-N712 PolarHBondContact OD1-ND2 3.4Å; N673-K714 WeakPolarHBondContact OD1-CB 3.3Å |
| 674 | Q | 69.2 | Low | 73.5 | Confident | 108 Ų | 108 | 60.3 Ų | 60.3 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -106.2 | -26.7 | 173.5 | -63.2 | -177.6 | 0 | 0 | 0 | 111.5 | I590 F671 H672 | I590-Q674 HydrophobicContact CD1-CB 3.75Å; F671-Q674 HydrophobicContact CB-CB 4.45Å; F671-Q674 WeakPolarHBondContact O-CA 3.38Å; F671-Q674 WeakPolarHBondContact O-CB 3.4Å; F671-Q674 PolarHBondContact O-N 3.05Å; H672-Q674 VanDerWaalsContact C-N 3.25Å; H672-Q674 PolarHBondContact O-N 2.86Å |
| 675 | I | 73.4 | Confident | 75.1 | Confident | 0.333333 Ų | 0.333333 | 56 Ų | 56 | 0% | 0.002 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.9 | -47.7 | 173.8 | -61.6 | 160.7 | 0 | 0 | 0 | 109.9 | H583 R586 L587 I590 P654 F656 V668 F671 H672 | H583-I675 HydrophobicContact CB-CG2 3.85Å; H583-I675 WeakPolarHBondContact ND1-CG2 3.35Å; R586-I675 WeakPolarHBondContact CD-O 3.33Å; R586-I675 PolarHBondContact NH1-O 3.3Å; L587-I675 HydrophobicContact CD1-CD1 3.94Å; L587-I675 HydrophobicContact CD1-CG1 4.11Å; I590-I675 HydrophobicContact CD1-CG1 3.98Å; P654-I675 HydrophobicContact CB-CB 4.5Å; P654-I675 HydrophobicContact CB-CD1 4.37Å; P654-I675 HydrophobicContact CB-CG2 4.06Å; F656-I675 HydrophobicContact CZ-CD1 4.43Å; F656-I675 HydrophobicContact CZ-CG2 4.46Å; V668-I675 HydrophobicContact CB-CD1 4.42Å; V668-I675 HydrophobicContact CG1-CD1 4.05Å; F671-I675 HydrophobicContact CB-CD1 4.23Å; F671-I675 HydrophobicContact CB-CG1 4.43Å; F671-I675 WeakPolarHBondContact O-CG1 3.3Å; F671-I675 PolarHBondContact O-N 3.34Å; H672-I675 PolarHBondContact O-N 3.31Å |
| 676 | I | 77.6 | Confident | 76.4 | Confident | 5.33333 Ų | 5.33333 | 55.4 Ų | 55.4 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -91.2 | 123.7 | 175.8 | -55 | 169.4 | 0 | 0 | 0 | 108.9 | L651 L652 H672 N673 D680 C681 L715 | L651-I676 WeakPolarHBondContact O-CG2 3.22Å; L652-I676 VanDerWaalsContact O-CD1 3.31Å; L652-I676 WeakPolarHBondContact O-CD1 3.47Å; H672-I676 VanDerWaalsContact CE1-CD1 3.42Å; H672-I676 WeakPolarHBondContact CE1-CD1 3.32Å; H672-I676 PolarHBondContact O-N 3.15Å; H672-I676 VanDerWaalsContact O-N 3.08Å; N673-I676 CarbonylContact C-O 3.59Å; N673-I676 VanDerWaalsContact O-O 3.11Å; I676-D680 HydrophobicContact CG2-CB 4.39Å; I676-C681 VanDerWaalsContact CG2-SG 3.6Å; I676-L715 HydrophobicContact CB-CD2 4.21Å; I676-L715 HydrophobicContact CD1-CD1 4.36Å; I676-L715 HydrophobicContact CD1-CD2 4.49Å; I676-L715 HydrophobicContact CG2-CD2 4.41Å |
| 677 | L | 80.5 | Confident | 77.9 | Confident | 75.6667 Ų | 75.6667 | 48.5 Ų | 48.5 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | trans | -99.6 | 156.2 | 178.6 | -61.7 | -179.7 | 0 | 0 | 0 | 110.6 | N679 D680 C681 | L677-N679 PolarHBondContact O-N 3.26Å; L677-N679 VanDerWaalsContact O-N 3.09Å; L677-D680 PolarHBondContact N-OD2 3.06Å; L677-D680 PolarHBondContact O-N 3.08Å; L677-C681 PolarHBondContact O-N 3.19Å | ||
| 678 | S | 80.2 | Confident | 79.1 | Confident | 78 Ų | 78 | 46.1 Ų | 46.1 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56 | -28.3 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 113.4 | D680 C681 D682 | S678-D680 VanDerWaalsContact C-N 3.34Å; S678-D680 PolarHBondContact O-N 2.97Å; S678-C681 PolarHBondContact O-N 3.09Å; S678-D682 VanDerWaalsContact O-CB 3.29Å; S678-D682 WeakPolarHBondContact O-CB 3.38Å; S678-D682 PolarHBondContact O-N 3.19Å |
| 679 | N | 83.1 | Confident | 80.1 | Confident | 91 Ų | 91 | 46.5 Ų | 46.5 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.8 | -35.1 | 177.5 | -67.5 | 15.1 | 0 | 0 | 0 | 112.8 | L618 L677 D682 L683 | L618-N679 HydrophobicContact CD2-CB 3.86Å; L677-N679 PolarHBondContact O-N 3.26Å; L677-N679 VanDerWaalsContact O-N 3.09Å; N679-D682 PolarHBondContact O-N 3.02Å; N679-L683 WeakPolarHBondContact O-CG 3.27Å; N679-L683 PolarHBondContact O-N 3.02Å; N679-L683 VanDerWaalsContact O-N 3.13Å |
| 680 | D | 86.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.1 | -44.5 | 179.9 | -34.9 | -49.3 | 0 | 0 | 0 | 109.4 | M579 R586 L618 I676 L677 S678 D682 L683 C684 | M579-D680 HydrophobicContact CE-CB 4.45Å; R586-D680 IonicContact CZ-OD1 3.83Å; R586-D680 IonicContact CZ-OD2 3.22Å; R586-D680 IonicContact NH1-OD1 3.28Å; R586-D680 PolarHBondContact NH1-OD1 3.41Å; R586-D680 IonicContact NH1-OD2 2.76Å; R586-D680 PolarHBondContact NH1-OD2 3.02Å; R586-D680 IonicContact NH2-OD1 3.26Å; R586-D680 PolarHBondContact NH2-OD1 3.1Å; R586-D680 IonicContact NH2-OD2 3.23Å; R586-D680 PolarHBondContact NH2-OD2 3.36Å; L618-D680 WeakPolarHBondContact CD1-OD1 3.4Å; I676-D680 HydrophobicContact CG2-CB 4.39Å; L677-D680 PolarHBondContact N-OD2 3.06Å; L677-D680 PolarHBondContact O-N 3.08Å; S678-D680 VanDerWaalsContact C-N 3.34Å; S678-D680 PolarHBondContact O-N 2.97Å; D680-D682 PolarHBondContact O-N 3.11Å; D680-L683 PolarHBondContact O-N 3.17Å; D680-C684 PolarHBondContact O-N 3.1Å |
| 681 | C | 86.1 | Confident | 82.3 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57 | -47.6 | 171.7 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | L652 I676 L677 S678 L683 C684 F685 T717 | L652-C681 HydrophobicContact CD2-CB 4.12Å; I676-C681 VanDerWaalsContact CG2-SG 3.6Å; L677-C681 PolarHBondContact O-N 3.19Å; S678-C681 PolarHBondContact O-N 3.09Å; C681-L683 VanDerWaalsContact C-N 3.32Å; C681-L683 PolarHBondContact O-N 3.2Å; C681-C684 WeakPolarHBondContact O-CB 3.44Å; C681-C684 PolarHBondContact O-N 2.9Å; C681-F685 HydrophobicContact CB-CD2 4.21Å; C681-F685 HydrophobicContact CB-CE2 3.9Å; C681-F685 WeakPolarHBondContact O-CD2 3.39Å; C681-F685 WeakPolarHBondContact O-CG 3.22Å; C681-F685 PolarHBondContact O-N 3.3Å; C681-T717 HydrophobicContact CB-CG2 3.69Å |
| 682 | D | 87.5 | Confident | 83.1 | Confident | 39 Ų | 39 | 35.3 Ų | 35.3 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -36.3 | 179.7 | -94.8 | 5.4 | 0 | 0 | 0 | 112.3 | S678 N679 D680 K686 T717 A719 | S678-D682 VanDerWaalsContact O-CB 3.29Å; S678-D682 WeakPolarHBondContact O-CB 3.38Å; S678-D682 PolarHBondContact O-N 3.19Å; N679-D682 PolarHBondContact O-N 3.02Å; D680-D682 PolarHBondContact O-N 3.11Å; D682-K686 VanDerWaalsContact O-CB 3.26Å; D682-K686 WeakPolarHBondContact O-CB 3.42Å; D682-K686 VanDerWaalsContact O-CD 3.26Å; D682-K686 WeakPolarHBondContact O-CD 3.13Å; D682-K686 WeakPolarHBondContact O-CG 3.37Å; D682-K686 PolarHBondContact O-N 3.23Å; D682-K686 VanDerWaalsContact O-N 3.12Å; D682-K686 VanDerWaalsContact OD2-CE 3.22Å; D682-K686 WeakPolarHBondContact OD2-CE 3.49Å; D682-K686 IonicContact OD2-NZ 3.53Å; D682-K686 PolarHBondContact OD2-NZ 2.92Å; D682-T717 WeakPolarHBondContact OD1-CB 3.31Å; D682-T717 PolarHBondContact OD1-OG1 3.2Å; D682-A719 HydrophobicContact CB-CB 4.24Å; D682-A719 VanDerWaalsContact OD1-CB 3.25Å; D682-A719 WeakPolarHBondContact OD1-CB 3.43Å; D682-A719 PolarHBondContact OD1-N 3.08Å |
| 683 | L | 87 | Confident | 83.8 | Confident | 33.3333 Ų | 33.3333 | 38.6 Ų | 38.6 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -43.8 | 173.9 | -75.5 | 170.6 | 0 | 0 | 0 | 111.7 | L618 K622 L625 N679 D680 C681 W687 | L618-L683 HydrophobicContact CD1-CD1 3.59Å; L618-L683 VanDerWaalsContact CD1-CD1 3.41Å; L618-L683 HydrophobicContact CD2-CD1 4.01Å; L618-L683 HydrophobicContact CG-CD1 3.64Å; K622-L683 HydrophobicContact CB-CD2 4.33Å; K622-L683 HydrophobicContact CD-CD1 4.5Å; K622-L683 HydrophobicContact CD-CD2 4.33Å; K622-L683 HydrophobicContact CG-CD1 3.85Å; K622-L683 HydrophobicContact CG-CD2 4.02Å; K622-L683 HydrophobicContact CG-CG 4.47Å; L625-L683 HydrophobicContact CD1-CB 4.39Å; N679-L683 WeakPolarHBondContact O-CG 3.27Å; N679-L683 PolarHBondContact O-N 3.02Å; N679-L683 VanDerWaalsContact O-N 3.13Å; D680-L683 PolarHBondContact O-N 3.17Å; C681-L683 VanDerWaalsContact C-N 3.32Å; C681-L683 PolarHBondContact O-N 3.2Å; L683-W687 VanDerWaalsContact O-CB 3.28Å; L683-W687 WeakPolarHBondContact O-CB 3.45Å; L683-W687 PolarHBondContact O-N 3.17Å; L683-W687 VanDerWaalsContact O-N 3.08Å |
| 684 | C | 90.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -55.2 | 176 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | L651 L652 D680 C681 K686 W687 F688 | L651-C684 HydrophobicContact CB-CB 3.76Å; L651-C684 HydrophobicContact CD1-CB 3.75Å; L651-C684 HydrophobicContact CG-CB 4.38Å; L652-C684 HydrophobicContact CD1-CB 4.19Å; L652-C684 VanDerWaalsContact CD1-SG 3.55Å; L652-C684 HydrophobicContact CD2-CB 4.29Å; L652-C684 HydrophobicContact CG-CB 4.22Å; D680-C684 PolarHBondContact O-N 3.1Å; C681-C684 WeakPolarHBondContact O-CB 3.44Å; C681-C684 PolarHBondContact O-N 2.9Å; C684-K686 PolarHBondContact O-N 3.16Å; C684-W687 WeakPolarHBondContact O-CB 3.44Å; C684-W687 PolarHBondContact O-N 3.2Å; C684-W687 VanDerWaalsContact O-N 3.13Å; C684-F688 VanDerWaalsContact O-CD2 3.3Å; C684-F688 WeakPolarHBondContact O-CD2 3.39Å; C684-F688 PolarHBondContact O-N 3.19Å; C684-F688 VanDerWaalsContact SG-CD2 3.59Å; C684-F688 VanDerWaalsContact SG-CE2 3.58Å |
| 685 | F | 91.3 | Very high | 85 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | -177.4 | -63.2 | -51.3 | 0 | 0 | 0 | 112.6 | W648 L652 C681 W687 F688 I689 I711 M716 A719 G720 F723 | W648-F685 HydrophobicContact CH2-CE1 4.39Å; L652-F685 HydrophobicContact CD1-CE1 4.1Å; L652-F685 HydrophobicContact CD1-CZ 4.31Å; L652-F685 HydrophobicContact CD2-CE1 4.45Å; L652-F685 HydrophobicContact CD2-CE2 4.27Å; L652-F685 HydrophobicContact CD2-CZ 3.94Å; C681-F685 HydrophobicContact CB-CD2 4.21Å; C681-F685 HydrophobicContact CB-CE2 3.9Å; C681-F685 WeakPolarHBondContact O-CD2 3.39Å; C681-F685 WeakPolarHBondContact O-CG 3.22Å; C681-F685 PolarHBondContact O-N 3.3Å; F685-W687 VanDerWaalsContact C-N 3.27Å; F685-W687 PolarHBondContact O-N 3.27Å; F685-F688 PolarHBondContact O-N 3.25Å; F685-I689 WeakPolarHBondContact O-CD1 3.28Å; F685-I689 VanDerWaalsContact O-CG1 3.27Å; F685-I689 WeakPolarHBondContact O-CG1 3.32Å; F685-I689 PolarHBondContact O-N 3.1Å; F685-I711 HydrophobicContact CE1-CD1 4.13Å; F685-M716 HydrophobicContact CE2-SD 4.33Å; F685-M716 HydrophobicContact CZ-CE 4.49Å; F685-M716 HydrophobicContact CZ-SD 4.28Å; F685-A719 HydrophobicContact CB-CB 4.25Å; F685-G720 VanDerWaalsContact CG-CA 3.44Å; F685-F723 HydrophobicContact CB-CB 4.1Å; F685-F723 HydrophobicContact CD1-CB 4.25Å; F685-F723 AromaticContact CD1-CD1 3.8Å; F685-F723 HydrophobicContact CD1-CD1 3.8Å; F685-F723 HydrophobicContact CD1-CE1 4.42Å; F685-F723 HydrophobicContact CD1-CG 4.1Å; F685-F723 HydrophobicContact CE1-CD1 4.22Å; F685-F723 HydrophobicContact CG-CB 4.41Å |
| 686 | K | 89.6 | Confident | 85.5 | Confident | 119.333 Ų | 119.333 | 36.9 Ų | 36.9 | 52% | 0.519 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.2 | -31.6 | 175.3 | -73.4 | 174.3 | -173.7 | 177.3 | 0 | 112.8 | D682 C684 A719 | D682-K686 VanDerWaalsContact O-CB 3.26Å; D682-K686 WeakPolarHBondContact O-CB 3.42Å; D682-K686 VanDerWaalsContact O-CD 3.26Å; D682-K686 WeakPolarHBondContact O-CD 3.13Å; D682-K686 WeakPolarHBondContact O-CG 3.37Å; D682-K686 PolarHBondContact O-N 3.23Å; D682-K686 VanDerWaalsContact O-N 3.12Å; D682-K686 VanDerWaalsContact OD2-CE 3.22Å; D682-K686 WeakPolarHBondContact OD2-CE 3.49Å; D682-K686 IonicContact OD2-NZ 3.53Å; D682-K686 PolarHBondContact OD2-NZ 2.92Å; C684-K686 PolarHBondContact O-N 3.16Å; K686-A719 HydrophobicContact CD-CB 4.34Å; K686-A719 VanDerWaalsContact CE-CB 3.47Å; K686-A719 HydrophobicContact CG-CB 3.91Å |
| 687 | W | 91.7 | Very high | 85.8 | Confident | 11.6667 Ų | 11.6667 | 36.7 Ų | 36.7 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.7 | -44.3 | 177.1 | -168.4 | 79.5 | 0 | 0 | 0 | 112 | L625 L628 I632 L644 I647 L683 C684 F685 I689 L690 F691 | L625-W687 HydrophobicContact CB-CG 4.45Å; L625-W687 HydrophobicContact CD1-CB 4.49Å; L625-W687 HydrophobicContact CD1-CG 4.49Å; L625-W687 HydrophobicContact CD2-CD2 3.82Å; L625-W687 HydrophobicContact CD2-CE3 4.39Å; L625-W687 HydrophobicContact CD2-CG 3.87Å; L625-W687 HydrophobicContact CD2-CZ2 4.47Å; L625-W687 HydrophobicContact CG-CG 4.5Å; L625-W687 PolarHBondContact O-NE1 3.08Å; L625-W687 VanDerWaalsContact O-NE1 3.09Å; L628-W687 HydrophobicContact CB-CZ2 3.76Å; L628-W687 HydrophobicContact CD1-CZ2 4.35Å; I632-W687 HydrophobicContact CD1-CH2 4.03Å; I632-W687 HydrophobicContact CD1-CZ2 4.03Å; L644-W687 HydrophobicContact CD2-CH2 3.94Å; L644-W687 HydrophobicContact CD2-CZ3 4.16Å; I647-W687 HydrophobicContact CD1-CH2 3.56Å; I647-W687 VanDerWaalsContact CD1-CH2 3.44Å; I647-W687 HydrophobicContact CD1-CZ2 4.38Å; I647-W687 HydrophobicContact CD1-CZ3 3.83Å; I647-W687 HydrophobicContact CG2-CE3 4.37Å; I647-W687 HydrophobicContact CG2-CZ3 4.17Å; L683-W687 VanDerWaalsContact O-CB 3.28Å; L683-W687 WeakPolarHBondContact O-CB 3.45Å; L683-W687 PolarHBondContact O-N 3.17Å; L683-W687 VanDerWaalsContact O-N 3.08Å; C684-W687 WeakPolarHBondContact O-CB 3.44Å; C684-W687 PolarHBondContact O-N 3.2Å; C684-W687 VanDerWaalsContact O-N 3.13Å; F685-W687 VanDerWaalsContact C-N 3.27Å; F685-W687 PolarHBondContact O-N 3.27Å; W687-I689 VanDerWaalsContact C-N 3.33Å; W687-I689 PolarHBondContact O-N 3.22Å; W687-L690 VanDerWaalsContact O-CB 3.24Å; W687-L690 WeakPolarHBondContact O-CB 3.36Å; W687-L690 VanDerWaalsContact O-CG 3.3Å; W687-L690 WeakPolarHBondContact O-CG 3.45Å; W687-L690 PolarHBondContact O-N 3.3Å; W687-L690 VanDerWaalsContact O-N 3.12Å; W687-F691 HydrophobicContact CD2-CE2 4.27Å; W687-F691 AromaticContact CE3-CE2 3.85Å; W687-F691 HydrophobicContact CE3-CE2 3.85Å; W687-F691 AromaticContact CH2-CE2 3.64Å; W687-F691 HydrophobicContact CH2-CE2 3.64Å; W687-F691 AromaticContact CH2-CZ 3.63Å; W687-F691 HydrophobicContact CH2-CZ 3.63Å; W687-F691 HydrophobicContact CZ2-CE2 4.06Å; W687-F691 HydrophobicContact CZ2-CZ 4.22Å; W687-F691 AromaticContact CZ3-CE2 3.52Å; W687-F691 HydrophobicContact CZ3-CE2 3.52Å; W687-F691 VanDerWaalsContact CZ3-CE2 3.5Å; W687-F691 AromaticContact CZ3-CZ 3.86Å; W687-F691 HydrophobicContact CZ3-CZ 3.86Å |
| 688 | F | 91.4 | Very high | 85.9 | Confident | 0.333333 Ų | 0.333333 | 38.9 Ų | 38.9 | 0% | 0.001 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.3 | -24.7 | 178.4 | -80.1 | -74.5 | 0 | 0 | 0 | 114 | I647 W648 C684 F685 L690 F691 F703 F723 | I647-F688 HydrophobicContact CG2-CE2 4.33Å; I647-F688 HydrophobicContact CG2-CZ 4.46Å; W648-F688 HydrophobicContact CB-CE2 4.2Å; W648-F688 HydrophobicContact CB-CZ 4.22Å; W648-F688 HydrophobicContact CD2-CE2 4.42Å; W648-F688 HydrophobicContact CE3-CD1 4.42Å; W648-F688 AromaticContact CE3-CD2 3.65Å; W648-F688 HydrophobicContact CE3-CD2 3.65Å; W648-F688 HydrophobicContact CE3-CE1 4.3Å; W648-F688 AromaticContact CE3-CE2 3.53Å; W648-F688 HydrophobicContact CE3-CE2 3.53Å; W648-F688 VanDerWaalsContact CE3-CE2 3.49Å; W648-F688 AromaticContact CE3-CG 3.97Å; W648-F688 HydrophobicContact CE3-CG 4.12Å; W648-F688 AromaticContact CE3-CZ 3.8Å; W648-F688 HydrophobicContact CE3-CZ 3.87Å; W648-F688 HydrophobicContact CZ3-CB 4.35Å; W648-F688 HydrophobicContact CZ3-CD1 4.49Å; W648-F688 AromaticContact CZ3-CD2 3.92Å; W648-F688 HydrophobicContact CZ3-CD2 3.92Å; W648-F688 HydrophobicContact CZ3-CE2 4.27Å; W648-F688 HydrophobicContact CZ3-CG 4.08Å; C684-F688 VanDerWaalsContact O-CD2 3.3Å; C684-F688 WeakPolarHBondContact O-CD2 3.39Å; C684-F688 PolarHBondContact O-N 3.19Å; C684-F688 VanDerWaalsContact SG-CD2 3.59Å; C684-F688 VanDerWaalsContact SG-CE2 3.58Å; F685-F688 PolarHBondContact O-N 3.25Å; F688-L690 PolarHBondContact O-N 3.23Å; F688-L690 VanDerWaalsContact O-N 3.16Å; F688-F691 HydrophobicContact CD1-CD2 4.08Å; F688-F691 HydrophobicContact CD1-CE2 4.19Å; F688-F691 HydrophobicContact CE1-CE2 4.43Å; F688-F691 WeakPolarHBondContact O-CB 3.36Å; F688-F691 PolarHBondContact O-N 3.12Å; F688-F691 VanDerWaalsContact O-N 3.13Å; F688-F703 AromaticContact CE1-CE1 3.94Å; F688-F703 HydrophobicContact CE1-CE1 4.06Å; F688-F703 HydrophobicContact CE1-CZ 4.42Å; F688-F703 HydrophobicContact CZ-CE1 4.47Å; F688-F723 HydrophobicContact CB-CD2 4.23Å; F688-F723 HydrophobicContact CB-CE2 3.83Å; F688-F723 HydrophobicContact CB-CZ 4.41Å |
| 689 | I | 89.3 | Confident | 86 | Confident | 18.3333 Ų | 18.3333 | 40 Ų | 40 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.2 | -33.5 | 168.3 | -78.2 | 167 | 0 | 0 | 0 | 112 | F685 W687 F691 L692 N693 E722 F723 | F685-I689 WeakPolarHBondContact O-CD1 3.28Å; F685-I689 VanDerWaalsContact O-CG1 3.27Å; F685-I689 WeakPolarHBondContact O-CG1 3.32Å; F685-I689 PolarHBondContact O-N 3.1Å; W687-I689 VanDerWaalsContact C-N 3.33Å; W687-I689 PolarHBondContact O-N 3.22Å; I689-F691 PolarHBondContact O-N 3.25Å; I689-F691 VanDerWaalsContact O-N 3.17Å; I689-L692 WeakPolarHBondContact O-CB 3.44Å; I689-L692 PolarHBondContact O-N 3.2Å; I689-L692 VanDerWaalsContact O-N 3.11Å; I689-N693 PolarHBondContact O-ND2 2.91Å; I689-E722 HydrophobicContact CD1-CB 4.14Å; I689-E722 HydrophobicContact CD1-CG 4.01Å; I689-F723 HydrophobicContact CD1-CB 4.04Å; I689-F723 HydrophobicContact CG1-CB 3.8Å; I689-F723 HydrophobicContact CG1-CD2 4.04Å; I689-F723 HydrophobicContact CG1-CG 4.44Å |
| 690 | L | 88.3 | Confident | 86.1 | Confident | 43 Ų | 43 | 35.8 Ų | 35.8 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -29.4 | -179.3 | -56.8 | 175.1 | 0 | 0 | 0 | 112.8 | R629 F633 W687 F688 | R629-L690 HydrophobicContact CB-CD1 4.38Å; R629-L690 HydrophobicContact CG-CD1 3.98Å; F633-L690 HydrophobicContact CD2-CB 4.45Å; F633-L690 HydrophobicContact CE1-CB 4.46Å; F633-L690 WeakPolarHBondContact CE1-O 3.3Å; F633-L690 HydrophobicContact CE2-CB 3.75Å; F633-L690 HydrophobicContact CE2-CD1 4.32Å; F633-L690 HydrophobicContact CZ-CB 3.68Å; W687-L690 VanDerWaalsContact O-CB 3.24Å; W687-L690 WeakPolarHBondContact O-CB 3.36Å; W687-L690 VanDerWaalsContact O-CG 3.3Å; W687-L690 WeakPolarHBondContact O-CG 3.45Å; W687-L690 PolarHBondContact O-N 3.3Å; W687-L690 VanDerWaalsContact O-N 3.12Å; F688-L690 PolarHBondContact O-N 3.23Å; F688-L690 VanDerWaalsContact O-N 3.16Å |
| 691 | F | 86.6 | Confident | 86 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.2 | -37.7 | 178.9 | -72.3 | -103.8 | 0 | 0 | 0 | 111.8 | I632 F633 L644 W687 F688 I689 N693 H694 I696 W697 Y700 I704 | I632-F691 HydrophobicContact CD1-CZ 4.08Å; I632-F691 HydrophobicContact CG2-CE1 4.29Å; I632-F691 HydrophobicContact CG2-CZ 4.42Å; F633-F691 HydrophobicContact CE1-CD1 4.37Å; F633-F691 HydrophobicContact CE1-CG 4.34Å; F633-F691 HydrophobicContact CE2-CD2 4.42Å; F633-F691 HydrophobicContact CE2-CE2 4.19Å; F633-F691 HydrophobicContact CE2-CZ 4.37Å; F633-F691 HydrophobicContact CZ-CB 4.42Å; F633-F691 HydrophobicContact CZ-CD1 4.18Å; F633-F691 AromaticContact CZ-CD2 3.71Å; F633-F691 HydrophobicContact CZ-CD2 3.71Å; F633-F691 HydrophobicContact CZ-CE1 4.32Å; F633-F691 AromaticContact CZ-CE2 3.86Å; F633-F691 HydrophobicContact CZ-CE2 3.86Å; F633-F691 AromaticContact CZ-CG 3.88Å; F633-F691 HydrophobicContact CZ-CG 3.88Å; F633-F691 HydrophobicContact CZ-CZ 4.16Å; L644-F691 HydrophobicContact CD1-CE1 4.32Å; L644-F691 HydrophobicContact CD2-CE1 4.32Å; L644-F691 HydrophobicContact CD2-CZ 3.94Å; W687-F691 HydrophobicContact CD2-CE2 4.27Å; W687-F691 AromaticContact CE3-CE2 3.85Å; W687-F691 HydrophobicContact CE3-CE2 3.85Å; W687-F691 AromaticContact CH2-CE2 3.64Å; W687-F691 HydrophobicContact CH2-CE2 3.64Å; W687-F691 AromaticContact CH2-CZ 3.63Å; W687-F691 HydrophobicContact CH2-CZ 3.63Å; W687-F691 HydrophobicContact CZ2-CE2 4.06Å; W687-F691 HydrophobicContact CZ2-CZ 4.22Å; W687-F691 AromaticContact CZ3-CE2 3.52Å; W687-F691 HydrophobicContact CZ3-CE2 3.52Å; W687-F691 VanDerWaalsContact CZ3-CE2 3.5Å; W687-F691 AromaticContact CZ3-CZ 3.86Å; W687-F691 HydrophobicContact CZ3-CZ 3.86Å; F688-F691 HydrophobicContact CD1-CD2 4.08Å; F688-F691 HydrophobicContact CD1-CE2 4.19Å; F688-F691 HydrophobicContact CE1-CE2 4.43Å; F688-F691 WeakPolarHBondContact O-CB 3.36Å; F688-F691 PolarHBondContact O-N 3.12Å; F688-F691 VanDerWaalsContact O-N 3.13Å; I689-F691 PolarHBondContact O-N 3.25Å; I689-F691 VanDerWaalsContact O-N 3.17Å; F691-N693 VanDerWaalsContact C-N 3.27Å; F691-N693 PolarHBondContact O-N 3.13Å; F691-H694 PolarHBondContact O-N 3.11Å; F691-I696 HydrophobicContact CD1-CG2 4.19Å; F691-I696 HydrophobicContact CE1-CG2 4.49Å; F691-W697 WeakPolarHBondContact O-CA 3.4Å; F691-W697 VanDerWaalsContact O-CB 3.3Å; F691-W697 WeakPolarHBondContact O-CB 3.24Å; F691-W697 PolarHBondContact O-N 2.75Å; F691-Y700 AromaticContact CD1-CD2 3.76Å; F691-Y700 HydrophobicContact CD1-CD2 3.76Å; F691-Y700 HydrophobicContact CD1-CE2 4.34Å; F691-Y700 HydrophobicContact CD1-CG 4.41Å; F691-Y700 AromaticContact CE1-CD2 3.84Å; F691-Y700 HydrophobicContact CE1-CD2 3.84Å; F691-Y700 AromaticContact CE1-CE2 3.95Å; F691-Y700 HydrophobicContact CE1-CE2 4.03Å; F691-Y700 HydrophobicContact CE1-CG 4.48Å; F691-I704 HydrophobicContact CB-CD1 3.76Å; F691-I704 HydrophobicContact CD1-CD1 4.48Å; F691-I704 HydrophobicContact CG-CD1 4.22Å |
| 692 | L | 84 | Confident | 85.9 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -33.3 | -176 | -50 | -178.7 | 0 | 0 | 0 | 112.4 | I689 H694 W697 I704 F723 Q726 L727 R730 | I689-L692 WeakPolarHBondContact O-CB 3.44Å; I689-L692 PolarHBondContact O-N 3.2Å; I689-L692 VanDerWaalsContact O-N 3.11Å; L692-H694 VanDerWaalsContact C-N 3.34Å; L692-W697 HydrophobicContact CD2-CD2 4.44Å; L692-W697 HydrophobicContact CD2-CE3 3.6Å; L692-W697 HydrophobicContact CD2-CH2 4Å; L692-W697 HydrophobicContact CD2-CZ3 3.35Å; L692-W697 VanDerWaalsContact CD2-CZ3 3.43Å; L692-I704 HydrophobicContact CD2-CG2 4.4Å; L692-F723 HydrophobicContact CD1-CD2 4.09Å; L692-F723 HydrophobicContact CD1-CE2 4.31Å; L692-F723 HydrophobicContact CD2-CE2 4.4Å; L692-Q726 HydrophobicContact CD1-CB 3.61Å; L692-L727 HydrophobicContact CD1-CB 4.17Å; L692-L727 HydrophobicContact CD2-CB 4.44Å; L692-L727 HydrophobicContact CD2-CD1 3.73Å; L692-R730 PolarHBondContact O-NE 3.17Å |
| 693 | N | 80.2 | Confident | 85.9 | Confident | 99 Ų | 99 | 42.7 Ų | 42.7 | 53% | 0.529 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 3.6 | -174.8 | -63.5 | -29.4 | 0 | 0 | 0 | 113.3 | I689 F691 Q726 | I689-N693 PolarHBondContact O-ND2 2.91Å; F691-N693 VanDerWaalsContact C-N 3.27Å; F691-N693 PolarHBondContact O-N 3.13Å; N693-Q726 PolarHBondContact ND2-OE1 3.19Å |
| 694 | H | 82.4 | Confident | 85.8 | Confident | 54.6667 Ų | 54.6667 | 41.1 Ų | 41.1 | 25% | 0.253 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -118.2 | 156.2 | -178.9 | -153.4 | -85.7 | 0 | 0 | 0 | 111.7 | F633 F691 L692 I696 W697 | F633-H694 HydrophobicContact CD1-CB 3.91Å; F633-H694 AromaticContact CD1-CD2 3.6Å; F633-H694 VanDerWaalsContact CD1-CD2 3.45Å; F633-H694 WeakPolarHBondContact CD1-CD2 3.32Å; F633-H694 AromaticContact CD1-CG 3.63Å; F633-H694 AromaticContact CD1-ND1 3.85Å; F633-H694 AromaticContact CD1-NE2 3.87Å; F633-H694 HydrophobicContact CE1-CB 3.79Å; F633-H694 AromaticContact CE1-CG 3.97Å; F633-H694 PolarHBondContact O-NE2 3.18Å; F691-H694 PolarHBondContact O-N 3.11Å; L692-H694 VanDerWaalsContact C-N 3.34Å; H694-I696 HydrophobicContact CB-CB 4.42Å; H694-I696 WeakPolarHBondContact ND1-CD1 3.48Å; H694-I696 WeakPolarHBondContact ND1-CG1 3.3Å; H694-I696 PolarHBondContact O-N 2.95Å; H694-I696 VanDerWaalsContact O-N 3.12Å; H694-W697 WeakPolarHBondContact O-CB 3.39Å; H694-W697 PolarHBondContact O-N 3.04Å |
| 695 | S | 78.9 | Confident | 85.5 | Confident | 85.6667 Ų | 85.6667 | 43.3 Ų | 43.3 | 60% | 0.599 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -26.6 | 172.8 | 54 | 0 | 0 | 0 | 0 | 114 | W697 L698 | S695-W697 PolarHBondContact O-N 2.96Å; S695-W697 VanDerWaalsContact O-N 3.14Å; S695-L698 PolarHBondContact O-N 3.08Å |
| 696 | I | 83.3 | Confident | 85.2 | Confident | 16.3333 Ų | 16.3333 | 47.8 Ų | 47.8 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.7 | 177.8 | -71.6 | 171.1 | 0 | 0 | 0 | 112.1 | I632 F633 F691 H694 L698 I699 Y700 | I632-I696 HydrophobicContact CG2-CD1 4.21Å; I632-I696 WeakPolarHBondContact O-CD1 3.38Å; F633-I696 HydrophobicContact CD1-CD1 4.11Å; F633-I696 HydrophobicContact CE1-CD1 4.42Å; F691-I696 HydrophobicContact CD1-CG2 4.19Å; F691-I696 HydrophobicContact CE1-CG2 4.49Å; H694-I696 HydrophobicContact CB-CB 4.42Å; H694-I696 WeakPolarHBondContact ND1-CD1 3.48Å; H694-I696 WeakPolarHBondContact ND1-CG1 3.3Å; H694-I696 PolarHBondContact O-N 2.95Å; H694-I696 VanDerWaalsContact O-N 3.12Å; I696-L698 PolarHBondContact O-N 3.03Å; I696-L698 VanDerWaalsContact O-N 3.15Å; I696-I699 WeakPolarHBondContact O-CB 3.3Å; I696-I699 PolarHBondContact O-N 3.13Å; I696-I699 VanDerWaalsContact O-N 3.08Å; I696-Y700 HydrophobicContact CG2-CD2 3.51Å; I696-Y700 VanDerWaalsContact CG2-CD2 3.5Å; I696-Y700 HydrophobicContact CG2-CE2 3.37Å; I696-Y700 VanDerWaalsContact CG2-CE2 3.45Å; I696-Y700 PolarHBondContact O-N 3.42Å |
| 697 | W | 84 | Confident | 84.9 | Confident | 0.333333 Ų | 0.333333 | 42.6 Ų | 42.6 | 0% | 0.001 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -42.9 | -46.5 | 172.5 | 169.6 | -120.9 | 0 | 0 | 0 | 113.5 | F691 L692 H694 S695 I699 Y700 R701 I704 L727 R730 I731 D734 | F691-W697 WeakPolarHBondContact O-CA 3.4Å; F691-W697 VanDerWaalsContact O-CB 3.3Å; F691-W697 WeakPolarHBondContact O-CB 3.24Å; F691-W697 PolarHBondContact O-N 2.75Å; L692-W697 HydrophobicContact CD2-CD2 4.44Å; L692-W697 HydrophobicContact CD2-CE3 3.6Å; L692-W697 HydrophobicContact CD2-CH2 4Å; L692-W697 HydrophobicContact CD2-CZ3 3.35Å; L692-W697 VanDerWaalsContact CD2-CZ3 3.43Å; H694-W697 WeakPolarHBondContact O-CB 3.39Å; H694-W697 PolarHBondContact O-N 3.04Å; S695-W697 PolarHBondContact O-N 2.96Å; S695-W697 VanDerWaalsContact O-N 3.14Å; W697-I699 PolarHBondContact O-N 3.06Å; W697-I699 VanDerWaalsContact O-N 3.1Å; W697-Y700 PolarHBondContact O-N 3.19Å; W697-Y700 VanDerWaalsContact O-N 3.11Å; W697-R701 HydrophobicContact CD2-CB 4.32Å; W697-R701 HydrophobicContact CH2-CB 4.16Å; W697-R701 HydrophobicContact CH2-CG 3.91Å; W697-R701 HydrophobicContact CZ2-CB 4.01Å; W697-R701 HydrophobicContact CZ2-CG 3.55Å; W697-R701 VanDerWaalsContact CZ2-CG 3.46Å; W697-R701 HydrophobicContact CZ3-CB 4.43Å; W697-R701 WeakPolarHBondContact O-CA 3.3Å; W697-R701 WeakPolarHBondContact O-CB 3.43Å; W697-R701 PolarHBondContact O-N 3.35Å; W697-I704 HydrophobicContact CE3-CD1 4.02Å; W697-I704 HydrophobicContact CZ3-CB 4.01Å; W697-I704 HydrophobicContact CZ3-CD1 3.74Å; W697-I704 HydrophobicContact CZ3-CG1 4.42Å; W697-I704 HydrophobicContact CZ3-CG2 4.07Å; W697-L727 HydrophobicContact CH2-CD1 3.44Å; W697-L727 VanDerWaalsContact CH2-CD1 3.43Å; W697-L727 HydrophobicContact CZ2-CD1 4.31Å; W697-L727 HydrophobicContact CZ3-CD1 3.9Å; W697-R730 HydrophobicContact CD2-CG 4.35Å; W697-R730 HydrophobicContact CG-CG 4.44Å; W697-R730 HydrophobicContact CZ2-CB 4.49Å; W697-R730 HydrophobicContact CZ2-CG 4.07Å; W697-I731 HydrophobicContact CH2-CD1 3.93Å; W697-I731 HydrophobicContact CH2-CG1 3.9Å; W697-I731 HydrophobicContact CZ2-CD1 4.12Å; W697-I731 HydrophobicContact CZ2-CG1 3.57Å; W697-D734 PolarHBondContact NE1-OD2 3.1Å |
| 698 | L | 81.3 | Confident | 84.5 | Confident | 122.667 Ų | 122.667 | 42.1 Ų | 42.1 | 64% | 0.642 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -60.5 | -25.5 | -175.1 | -66.8 | 173.3 | 0 | 0 | 0 | 113.4 | S695 I696 | S695-L698 PolarHBondContact O-N 3.08Å; I696-L698 PolarHBondContact O-N 3.03Å; I696-L698 VanDerWaalsContact O-N 3.15Å |
| 699 | I | 83.2 | Confident | 84 | Confident | 99.3333 Ų | 99.3333 | 43.9 Ų | 43.9 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -83.5 | -33.4 | -179 | -55 | 175 | 0 | 0 | 0 | 111.1 | L638 I696 W697 | L638-I699 HydrophobicContact CD1-CD1 3.95Å; L638-I699 HydrophobicContact CD1-CG2 3.93Å; L638-I699 HydrophobicContact CD2-CD1 3.56Å; I696-I699 WeakPolarHBondContact O-CB 3.3Å; I696-I699 PolarHBondContact O-N 3.13Å; I696-I699 VanDerWaalsContact O-N 3.08Å; W697-I699 PolarHBondContact O-N 3.06Å; W697-I699 VanDerWaalsContact O-N 3.1Å |
| 700 | Y | 85.6 | Confident | 83.7 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -108.3 | 2.7 | -175.1 | -58.1 | -63.5 | 0 | 0 | 0 | 114.3 | L638 C639 I641 L644 F691 I696 W697 D702 F703 I704 | L638-Y700 WeakPolarHBondContact CA-OH 3.29Å; L638-Y700 HydrophobicContact CD1-CE2 4.44Å; L638-Y700 VanDerWaalsContact CD1-OH 3.26Å; L638-Y700 WeakPolarHBondContact CD1-OH 3.25Å; C639-Y700 WeakPolarHBondContact CA-OH 3.41Å; C639-Y700 PolarHBondContact N-OH 3.15Å; C639-Y700 VanDerWaalsContact O-CE1 3.31Å; C639-Y700 WeakPolarHBondContact O-CE1 3.29Å; C639-Y700 PolarHBondContact O-OH 3.16Å; C639-Y700 VanDerWaalsContact O-OH 3.07Å; I641-Y700 HydrophobicContact CG1-CD1 4.41Å; I641-Y700 HydrophobicContact CG1-CE1 4.32Å; L644-Y700 HydrophobicContact CD1-CD1 3.42Å; L644-Y700 VanDerWaalsContact CD1-CD1 3.43Å; L644-Y700 HydrophobicContact CD1-CD2 4.36Å; L644-Y700 HydrophobicContact CD1-CE1 3.44Å; L644-Y700 VanDerWaalsContact CD1-CE1 3.47Å; L644-Y700 HydrophobicContact CD1-CE2 4.36Å; L644-Y700 HydrophobicContact CD1-CG 3.91Å; F691-Y700 AromaticContact CD1-CD2 3.76Å; F691-Y700 HydrophobicContact CD1-CD2 3.76Å; F691-Y700 HydrophobicContact CD1-CE2 4.34Å; F691-Y700 HydrophobicContact CD1-CG 4.41Å; F691-Y700 AromaticContact CE1-CD2 3.84Å; F691-Y700 HydrophobicContact CE1-CD2 3.84Å; F691-Y700 AromaticContact CE1-CE2 3.95Å; F691-Y700 HydrophobicContact CE1-CE2 4.03Å; F691-Y700 HydrophobicContact CE1-CG 4.48Å; I696-Y700 HydrophobicContact CG2-CD2 3.51Å; I696-Y700 VanDerWaalsContact CG2-CD2 3.5Å; I696-Y700 HydrophobicContact CG2-CE2 3.37Å; I696-Y700 VanDerWaalsContact CG2-CE2 3.45Å; I696-Y700 PolarHBondContact O-N 3.42Å; W697-Y700 PolarHBondContact O-N 3.19Å; W697-Y700 VanDerWaalsContact O-N 3.11Å; Y700-D702 VanDerWaalsContact C-N 3.29Å; Y700-D702 PolarHBondContact O-N 2.95Å; Y700-F703 PolarHBondContact O-N 3.12Å; Y700-I704 WeakPolarHBondContact O-CB 3.29Å; Y700-I704 WeakPolarHBondContact O-CG1 3.35Å; Y700-I704 PolarHBondContact O-N 3.22Å |
| 701 | R | 83.9 | Confident | 83.5 | Confident | 81.6667 Ų | 81.6667 | 48 Ų | 48 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -45.2 | -53.4 | 179.7 | 179.8 | -171.6 | 73.1 | -168.2 | -5.4 | 112 | W697 F703 I704 W705 | W697-R701 HydrophobicContact CD2-CB 4.32Å; W697-R701 HydrophobicContact CH2-CB 4.16Å; W697-R701 HydrophobicContact CH2-CG 3.91Å; W697-R701 HydrophobicContact CZ2-CB 4.01Å; W697-R701 HydrophobicContact CZ2-CG 3.55Å; W697-R701 VanDerWaalsContact CZ2-CG 3.46Å; W697-R701 HydrophobicContact CZ3-CB 4.43Å; W697-R701 WeakPolarHBondContact O-CA 3.3Å; W697-R701 WeakPolarHBondContact O-CB 3.43Å; W697-R701 PolarHBondContact O-N 3.35Å; R701-F703 PolarHBondContact O-N 3Å; R701-I704 PolarHBondContact O-N 3.06Å; R701-W705 WeakPolarHBondContact O-CB 3.4Å; R701-W705 PolarHBondContact O-N 3.15Å |
| 702 | D | 83.9 | Confident | 83.2 | Confident | 88.6667 Ų | 88.6667 | 50.6 Ų | 50.6 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.9 | -41.6 | -172.6 | -58.7 | -16.9 | 0 | 0 | 0 | 110.8 | Y700 I704 W705 D706 | Y700-D702 VanDerWaalsContact C-N 3.29Å; Y700-D702 PolarHBondContact O-N 2.95Å; D702-I704 PolarHBondContact O-N 2.91Å; D702-W705 WeakPolarHBondContact O-CB 3.28Å; D702-W705 PolarHBondContact O-N 3.35Å; D702-D706 WeakPolarHBondContact O-CB 3.49Å; D702-D706 PolarHBondContact O-N 3.14Å |
| 703 | F | 88.1 | Confident | 83 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 172.9 | 159.8 | -97.3 | 0 | 0 | 0 | 113.3 | I641 L644 Q645 F688 Y700 R701 W705 D706 N707 | I641-F703 HydrophobicContact CG2-CB 4.18Å; I641-F703 HydrophobicContact CG2-CD2 3.49Å; I641-F703 VanDerWaalsContact CG2-CD2 3.46Å; I641-F703 HydrophobicContact CG2-CE2 4.15Å; I641-F703 HydrophobicContact CG2-CG 4Å; L644-F703 HydrophobicContact CB-CD1 4.37Å; L644-F703 HydrophobicContact CB-CE1 3.59Å; L644-F703 HydrophobicContact CB-CE2 4.12Å; L644-F703 HydrophobicContact CB-CZ 3.44Å; L644-F703 VanDerWaalsContact CB-CZ 3.44Å; L644-F703 HydrophobicContact CD1-CD1 4.21Å; L644-F703 HydrophobicContact CD1-CE1 4.06Å; L644-F703 HydrophobicContact CG-CE1 4.38Å; Q645-F703 HydrophobicContact CB-CE2 4.05Å; Q645-F703 VanDerWaalsContact OE1-CE2 3.29Å; F688-F703 AromaticContact CE1-CE1 3.94Å; F688-F703 HydrophobicContact CE1-CE1 4.06Å; F688-F703 HydrophobicContact CE1-CZ 4.42Å; F688-F703 HydrophobicContact CZ-CE1 4.47Å; Y700-F703 PolarHBondContact O-N 3.12Å; R701-F703 PolarHBondContact O-N 3Å; F703-W705 VanDerWaalsContact C-N 3.3Å; F703-W705 PolarHBondContact O-N 2.82Å; F703-D706 PolarHBondContact O-N 3.42Å; F703-N707 VanDerWaalsContact CD2-ND2 3.3Å; F703-N707 WeakPolarHBondContact CD2-ND2 3.27Å; F703-N707 WeakPolarHBondContact CE2-ND2 3.11Å; F703-N707 VanDerWaalsContact CZ-ND2 3.32Å; F703-N707 WeakPolarHBondContact CZ-ND2 3Å; F703-N707 WeakPolarHBondContact O-CB 3.38Å; F703-N707 PolarHBondContact O-N 3.29Å; F703-N707 VanDerWaalsContact O-N 3.15Å; F703-N707 PolarHBondContact O-ND2 2.98Å |
| 704 | I | 85.3 | Confident | 82.9 | Confident | 0.333333 Ų | 0.333333 | 52.9 Ų | 52.9 | 0% | 0.002 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 179.6 | -67 | 173 | 0 | 0 | 0 | 109.8 | F691 L692 W697 Y700 R701 D702 Y708 F723 L727 | F691-I704 HydrophobicContact CB-CD1 3.76Å; F691-I704 HydrophobicContact CD1-CD1 4.48Å; F691-I704 HydrophobicContact CG-CD1 4.22Å; L692-I704 HydrophobicContact CD2-CG2 4.4Å; W697-I704 HydrophobicContact CE3-CD1 4.02Å; W697-I704 HydrophobicContact CZ3-CB 4.01Å; W697-I704 HydrophobicContact CZ3-CD1 3.74Å; W697-I704 HydrophobicContact CZ3-CG1 4.42Å; W697-I704 HydrophobicContact CZ3-CG2 4.07Å; Y700-I704 WeakPolarHBondContact O-CB 3.29Å; Y700-I704 WeakPolarHBondContact O-CG1 3.35Å; Y700-I704 PolarHBondContact O-N 3.22Å; R701-I704 PolarHBondContact O-N 3.06Å; D702-I704 PolarHBondContact O-N 2.91Å; I704-Y708 VanDerWaalsContact O-CB 3.28Å; I704-Y708 WeakPolarHBondContact O-CB 3.44Å; I704-Y708 PolarHBondContact O-N 3.01Å; I704-F723 HydrophobicContact CG2-CE2 4.11Å; I704-F723 HydrophobicContact CG2-CZ 3.78Å; I704-L727 HydrophobicContact CG2-CD1 3.72Å; I704-L727 HydrophobicContact CG2-CD2 4.38Å |
| 705 | W | 83.9 | Confident | 82.7 | Confident | 45.6667 Ų | 45.6667 | 51.1 Ų | 51.1 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.2 | -44.7 | 178.9 | 178.1 | -108.6 | 0 | 0 | 0 | 114 | R701 D702 F703 N707 Y708 S709 I731 I819 N820 | R701-W705 WeakPolarHBondContact O-CB 3.4Å; R701-W705 PolarHBondContact O-N 3.15Å; D702-W705 WeakPolarHBondContact O-CB 3.28Å; D702-W705 PolarHBondContact O-N 3.35Å; F703-W705 VanDerWaalsContact C-N 3.3Å; F703-W705 PolarHBondContact O-N 2.82Å; W705-N707 VanDerWaalsContact C-N 3.3Å; W705-N707 PolarHBondContact O-N 3.18Å; W705-Y708 HydrophobicContact CD2-CD1 4.46Å; W705-Y708 AromaticContact CE3-CD1 3.66Å; W705-Y708 HydrophobicContact CE3-CD1 3.77Å; W705-Y708 HydrophobicContact CE3-CE1 4.1Å; W705-Y708 AromaticContact CZ3-CD1 3.9Å; W705-Y708 HydrophobicContact CZ3-CD1 3.94Å; W705-Y708 AromaticContact CZ3-CE1 3.83Å; W705-Y708 HydrophobicContact CZ3-CE1 3.93Å; W705-Y708 WeakPolarHBondContact O-CB 3.49Å; W705-Y708 PolarHBondContact O-N 3.09Å; W705-S709 WeakPolarHBondContact O-CB 3.49Å; W705-S709 PolarHBondContact O-N 3.42Å; W705-S709 PolarHBondContact O-OG 3.32Å; W705-I731 HydrophobicContact CB-CD1 4.19Å; W705-I731 HydrophobicContact CD2-CD1 3.93Å; W705-I731 HydrophobicContact CE3-CD1 3.14Å; W705-I731 HydrophobicContact CE3-CG1 4.39Å; W705-I731 HydrophobicContact CE3-CG2 4.38Å; W705-I731 HydrophobicContact CG-CD1 4.3Å; W705-I731 HydrophobicContact CH2-CD1 4.43Å; W705-I731 HydrophobicContact CH2-CG2 4.03Å; W705-I731 HydrophobicContact CZ3-CB 4.36Å; W705-I731 HydrophobicContact CZ3-CD1 3.49Å; W705-I731 HydrophobicContact CZ3-CG1 4.24Å; W705-I731 HydrophobicContact CZ3-CG2 3.97Å; W705-I819 HydrophobicContact CH2-CB 4.18Å; W705-I819 HydrophobicContact CH2-CG2 3.76Å; W705-I819 VanDerWaalsContact CH2-CG2 3.49Å; W705-I819 HydrophobicContact CZ2-CB 4.22Å; W705-I819 HydrophobicContact CZ2-CG2 3.47Å; W705-I819 VanDerWaalsContact CZ2-CG2 3.45Å; W705-N820 HydrophobicContact CH2-CB 3.22Å; W705-N820 HydrophobicContact CZ2-CB 3.42Å; W705-N820 VanDerWaalsContact CZ2-CB 3.44Å; W705-N820 HydrophobicContact CZ3-CB 4.12Å |
| 706 | D | 84.7 | Confident | 83 | Confident | 94.3333 Ų | 94.3333 | 47.1 Ų | 47.1 | 50% | 0.504 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65 | -40.5 | 177.8 | -71 | -17.3 | 0 | 0 | 0 | 110.6 | D702 F703 S709 N710 | D702-D706 WeakPolarHBondContact O-CB 3.49Å; D702-D706 PolarHBondContact O-N 3.14Å; F703-D706 PolarHBondContact O-N 3.42Å; D706-S709 PolarHBondContact O-N 3.17Å; D706-N710 PolarHBondContact O-N 3.19Å; D706-N710 PolarHBondContact O-ND2 3.13Å; D706-N710 VanDerWaalsContact O-ND2 3.14Å |
| 707 | N | 83.4 | Confident | 83.2 | Confident | 10.6667 Ų | 10.6667 | 46.9 Ų | 46.9 | 6% | 0.057 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -41 | 173.9 | -86.1 | -64.7 | 0 | 0 | 0 | 112.9 | Q645 W648 F703 W705 S709 N710 I711 | Q645-N707 PolarHBondContact NE2-OD1 3.24Å; Q645-N707 PolarHBondContact OE1-ND2 3.11Å; Q645-N707 PolarHBondContact OE1-OD1 3.31Å; W648-N707 VanDerWaalsContact CD1-OD1 3.23Å; W648-N707 HydrophobicContact CD2-CB 4.02Å; W648-N707 HydrophobicContact CE3-CB 4.39Å; W648-N707 HydrophobicContact CG-CB 4.47Å; W648-N707 HydrophobicContact CH2-CB 4.25Å; W648-N707 HydrophobicContact CZ2-CB 3.72Å; W648-N707 HydrophobicContact CZ3-CB 4.5Å; W648-N707 PolarHBondContact NE1-OD1 3.03Å; F703-N707 VanDerWaalsContact CD2-ND2 3.3Å; F703-N707 WeakPolarHBondContact CD2-ND2 3.27Å; F703-N707 WeakPolarHBondContact CE2-ND2 3.11Å; F703-N707 VanDerWaalsContact CZ-ND2 3.32Å; F703-N707 WeakPolarHBondContact CZ-ND2 3Å; F703-N707 WeakPolarHBondContact O-CB 3.38Å; F703-N707 PolarHBondContact O-N 3.29Å; F703-N707 VanDerWaalsContact O-N 3.15Å; F703-N707 PolarHBondContact O-ND2 2.98Å; W705-N707 VanDerWaalsContact C-N 3.3Å; W705-N707 PolarHBondContact O-N 3.18Å; N707-S709 VanDerWaalsContact C-N 3.31Å; N707-S709 PolarHBondContact O-N 3.38Å; N707-N710 PolarHBondContact O-N 3.41Å; N707-N710 VanDerWaalsContact O-N 3.11Å; N707-I711 WeakPolarHBondContact O-CG1 3.4Å; N707-I711 PolarHBondContact O-N 3.21Å |
| 708 | Y | 83.9 | Confident | 83.3 | Confident | 0.666667 Ų | 0.666667 | 50.7 Ų | 50.7 | 0% | 0.003 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.9 | -43.2 | 173.6 | 162.1 | -102.3 | 0 | 0 | 0 | 112.7 | I704 W705 N710 I711 F723 V724 L727 N820 Q823 F827 | I704-Y708 VanDerWaalsContact O-CB 3.28Å; I704-Y708 WeakPolarHBondContact O-CB 3.44Å; I704-Y708 PolarHBondContact O-N 3.01Å; W705-Y708 HydrophobicContact CD2-CD1 4.46Å; W705-Y708 AromaticContact CE3-CD1 3.66Å; W705-Y708 HydrophobicContact CE3-CD1 3.77Å; W705-Y708 HydrophobicContact CE3-CE1 4.1Å; W705-Y708 AromaticContact CZ3-CD1 3.9Å; W705-Y708 HydrophobicContact CZ3-CD1 3.94Å; W705-Y708 AromaticContact CZ3-CE1 3.83Å; W705-Y708 HydrophobicContact CZ3-CE1 3.93Å; W705-Y708 WeakPolarHBondContact O-CB 3.49Å; W705-Y708 PolarHBondContact O-N 3.09Å; Y708-N710 PolarHBondContact O-N 2.86Å; Y708-I711 HydrophobicContact CD2-CD1 4.06Å; Y708-I711 WeakPolarHBondContact O-CG1 3.21Å; Y708-I711 PolarHBondContact O-N 3.23Å; Y708-F723 HydrophobicContact CD2-CE1 4.37Å; Y708-V724 HydrophobicContact CD2-CG2 4.18Å; Y708-V724 HydrophobicContact CE2-CB 4.27Å; Y708-V724 HydrophobicContact CE2-CG1 3.86Å; Y708-V724 HydrophobicContact CE2-CG2 3.7Å; Y708-L727 VanDerWaalsContact CB-CD2 3.46Å; Y708-L727 HydrophobicContact CD1-CD2 4.01Å; Y708-L727 HydrophobicContact CD2-CD2 3.53Å; Y708-L727 VanDerWaalsContact CD2-CD2 3.49Å; Y708-L727 HydrophobicContact CE1-CD2 4.48Å; Y708-L727 HydrophobicContact CE2-CD2 4.24Å; Y708-L727 HydrophobicContact CG-CD2 3.39Å; Y708-L727 VanDerWaalsContact CG-CD2 3.44Å; Y708-N820 WeakPolarHBondContact CE1-ND2 3.49Å; Y708-Q823 HydrophobicContact CD1-CG 4.39Å; Y708-Q823 HydrophobicContact CE1-CB 3.96Å; Y708-Q823 HydrophobicContact CE1-CG 3.76Å; Y708-Q823 HydrophobicContact CE2-CG 4.09Å; Y708-Q823 PolarHBondContact O-NE2 3.07Å; Y708-F827 HydrophobicContact CD2-CE2 4.46Å; Y708-F827 AromaticContact CE2-CE2 3.66Å; Y708-F827 HydrophobicContact CE2-CE2 3.66Å; Y708-F827 HydrophobicContact CE2-CZ 4.05Å; Y708-F827 AromaticContact CZ-CE2 3.96Å |
| 709 | S | 80.7 | Confident | 83.5 | Confident | 39.3333 Ų | 39.3333 | 45.1 Ų | 45.1 | 28% | 0.275 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.6 | -22.8 | -179.8 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | W705 D706 N707 N820 Q823 | W705-S709 WeakPolarHBondContact O-CB 3.49Å; W705-S709 PolarHBondContact O-N 3.42Å; W705-S709 PolarHBondContact O-OG 3.32Å; D706-S709 PolarHBondContact O-N 3.17Å; N707-S709 VanDerWaalsContact C-N 3.31Å; N707-S709 PolarHBondContact O-N 3.38Å; S709-N820 PolarHBondContact OG-ND2 3.2Å; S709-Q823 PolarHBondContact O-NE2 3.19Å |
| 710 | N | 82 | Confident | 83.7 | Confident | 133.667 Ų | 133.667 | 40.3 Ų | 40.3 | 72% | 0.715 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 2.8 | -179.5 | -69 | -51.8 | 0 | 0 | 0 | 114.3 | D706 N707 Y708 N712 | D706-N710 PolarHBondContact O-N 3.19Å; D706-N710 PolarHBondContact O-ND2 3.13Å; D706-N710 VanDerWaalsContact O-ND2 3.14Å; N707-N710 PolarHBondContact O-N 3.41Å; N707-N710 VanDerWaalsContact O-N 3.11Å; Y708-N710 PolarHBondContact O-N 2.86Å; N710-N712 PolarHBondContact O-N 3.18Å |
| 711 | I | 84.1 | Confident | 83.7 | Confident | 13.3333 Ų | 13.3333 | 40.3 Ų | 40.3 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | trans | -62.4 | 128.5 | 179.3 | -66.2 | 171.4 | 0 | 0 | 0 | 111.1 | W648 F685 N707 Y708 P713 M716 F723 Q823 F827 | W648-I711 HydrophobicContact CH2-CD1 3.9Å; W648-I711 HydrophobicContact CH2-CG1 4.22Å; W648-I711 HydrophobicContact CZ2-CD1 3.87Å; W648-I711 HydrophobicContact CZ2-CG1 3.66Å; F685-I711 HydrophobicContact CE1-CD1 4.13Å; N707-I711 WeakPolarHBondContact O-CG1 3.4Å; N707-I711 PolarHBondContact O-N 3.21Å; Y708-I711 HydrophobicContact CD2-CD1 4.06Å; Y708-I711 WeakPolarHBondContact O-CG1 3.21Å; Y708-I711 PolarHBondContact O-N 3.23Å; I711-P713 VanDerWaalsContact O-CD 3.28Å; I711-P713 WeakPolarHBondContact O-CD 3.38Å; I711-M716 HydrophobicContact CD1-CE 4.36Å; I711-M716 HydrophobicContact CG2-CE 3.89Å; I711-F723 HydrophobicContact CD1-CE1 4.29Å; I711-Q823 PolarHBondContact O-NE2 3.06Å; I711-F827 HydrophobicContact CB-CE1 4.33Å; I711-F827 HydrophobicContact CB-CZ 4.36Å; I711-F827 HydrophobicContact CD1-CZ 4.47Å; I711-F827 HydrophobicContact CG2-CE1 4.09Å; I711-F827 HydrophobicContact CG2-CZ 4.38Å | ||
| 712 | N | 80.3 | Confident | 83.8 | Confident | 53.3333 Ų | 53.3333 | 40.7 Ų | 40.7 | 29% | 0.285 | 21% | 0.21 | S | C | . | . | trans | -66 | 115.4 | 167.6 | 176.5 | -0.8 | 0 | 0 | 0 | 110.4 | H672 N673 N710 K714 L715 | H672-N712 PolarHBondContact CD2-ND2 3.31Å; H672-N712 VanDerWaalsContact CD2-ND2 3.31Å; H672-N712 PolarHBondContact NE2-ND2 2.83Å; N673-N712 PolarHBondContact OD1-ND2 3.4Å; N710-N712 PolarHBondContact O-N 3.18Å; N712-K714 PolarHBondContact O-N 3.22Å; N712-K714 WeakPolarHBondContact OD1-CB 3.41Å; N712-K714 PolarHBondContact OD1-N 3.1Å; N712-K714 VanDerWaalsContact OD1-N 3.09Å; N712-L715 HydrophobicContact CB-CD1 4.24Å; N712-L715 HydrophobicContact CB-CG 4.29Å; N712-L715 PolarHBondContact O-N 2.96Å; N712-L715 VanDerWaalsContact O-N 3.11Å | ||
| 713 | P | 79.4 | Confident | 84.1 | Confident | 18.6667 Ų | 18.6667 | 36.5 Ų | 36.5 | 12% | 0.121 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -60.9 | -19.4 | -177 | -11 | 15.3 | 0 | 0 | 0 | 115.1 | I711 L715 M716 N826 F827 Y830 S831 | I711-P713 VanDerWaalsContact O-CD 3.28Å; I711-P713 WeakPolarHBondContact O-CD 3.38Å; P713-L715 VanDerWaalsContact C-N 3.33Å; P713-L715 PolarHBondContact O-N 2.9Å; P713-M716 WeakPolarHBondContact O-CB 3.26Å; P713-M716 PolarHBondContact O-N 3.13Å; P713-N826 HydrophobicContact CG-CB 4.17Å; P713-F827 HydrophobicContact CB-CD1 3.76Å; P713-F827 HydrophobicContact CB-CE1 4.25Å; P713-F827 HydrophobicContact CG-CD1 4.09Å; P713-F827 HydrophobicContact CG-CE1 4.27Å; P713-Y830 VanDerWaalsContact CG-CB 3.5Å; P713-Y830 HydrophobicContact CG-CD2 4.41Å; P713-Y830 HydrophobicContact CG-CG 4.22Å; P713-S831 VanDerWaalsContact O-CA 3.29Å; P713-S831 WeakPolarHBondContact O-CA 3.4Å; P713-S831 VanDerWaalsContact O-CB 3.28Å; P713-S831 WeakPolarHBondContact O-CB 3.35Å |
| 714 | K | 78.2 | Confident | 84 | Confident | 132 Ų | 132 | 35.8 Ų | 35.8 | 57% | 0.574 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -71.9 | -28.5 | 178.9 | -63.9 | -178.7 | 179.7 | 179.3 | 0 | 113 | N673 N712 M716 | N673-K714 WeakPolarHBondContact OD1-CB 3.3Å; N712-K714 PolarHBondContact O-N 3.22Å; N712-K714 WeakPolarHBondContact OD1-CB 3.41Å; N712-K714 PolarHBondContact OD1-N 3.1Å; N712-K714 VanDerWaalsContact OD1-N 3.09Å; K714-M716 VanDerWaalsContact C-N 3.25Å; K714-M716 PolarHBondContact O-N 3.22Å |
| 715 | L | 79.7 | Confident | 84 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -79.3 | -6 | 178.8 | -63.4 | 179.6 | 0 | 0 | 0 | 113.3 | L652 H672 I676 N712 P713 T717 | L652-L715 VanDerWaalsContact O-CD1 3.28Å; L652-L715 WeakPolarHBondContact O-CD1 3.31Å; H672-L715 WeakPolarHBondContact NE2-CD1 3.15Å; I676-L715 HydrophobicContact CB-CD2 4.21Å; I676-L715 HydrophobicContact CD1-CD1 4.36Å; I676-L715 HydrophobicContact CD1-CD2 4.49Å; I676-L715 HydrophobicContact CG2-CD2 4.41Å; N712-L715 HydrophobicContact CB-CD1 4.24Å; N712-L715 HydrophobicContact CB-CG 4.29Å; N712-L715 PolarHBondContact O-N 2.96Å; N712-L715 VanDerWaalsContact O-N 3.11Å; P713-L715 VanDerWaalsContact C-N 3.33Å; P713-L715 PolarHBondContact O-N 2.9Å; L715-T717 WeakPolarHBondContact O-CG2 3.4Å; L715-T717 PolarHBondContact O-N 3.14Å |
| 716 | M | 84.6 | Confident | 84 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | trans | -68.1 | 124.3 | -171.4 | -168.1 | 58.9 | 72.8 | 0 | 0 | 111.7 | F685 I711 P713 K714 G720 V721 V724 F827 N832 V835 | F685-M716 HydrophobicContact CE2-SD 4.33Å; F685-M716 HydrophobicContact CZ-CE 4.49Å; F685-M716 HydrophobicContact CZ-SD 4.28Å; I711-M716 HydrophobicContact CD1-CE 4.36Å; I711-M716 HydrophobicContact CG2-CE 3.89Å; P713-M716 WeakPolarHBondContact O-CB 3.26Å; P713-M716 PolarHBondContact O-N 3.13Å; K714-M716 VanDerWaalsContact C-N 3.25Å; K714-M716 PolarHBondContact O-N 3.22Å; M716-G720 WeakPolarHBondContact SD-CA 3.27Å; M716-V721 HydrophobicContact CG-CG2 4.33Å; M716-V724 HydrophobicContact CE-CG2 3.64Å; M716-V724 HydrophobicContact SD-CG2 4.25Å; M716-F827 HydrophobicContact CE-CD1 3.83Å; M716-F827 HydrophobicContact CE-CD2 4.41Å; M716-F827 HydrophobicContact CE-CE1 3.25Å; M716-F827 HydrophobicContact CE-CE2 4.11Å; M716-F827 HydrophobicContact CE-CG 4.3Å; M716-F827 HydrophobicContact CE-CZ 3.42Å; M716-F827 VanDerWaalsContact CE-CZ 3.45Å; M716-F827 HydrophobicContact CG-CD1 4.5Å; M716-N832 PolarHBondContact O-ND2 3.28Å; M716-V835 HydrophobicContact CB-CG1 4.08Å; M716-V835 HydrophobicContact CB-CG2 3.96Å; M716-V835 HydrophobicContact CG-CB 4.28Å; M716-V835 HydrophobicContact CG-CG1 3.54Å; M716-V835 HydrophobicContact CG-CG2 3.69Å; M716-V835 VanDerWaalsContact O-CG2 3.32Å; M716-V835 WeakPolarHBondContact O-CG2 3.32Å | ||
| 717 | T | 86.1 | Confident | 84 | Confident | 11.3333 Ų | 11.3333 | 32.7 Ų | 32.7 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | trans | -107.2 | -176 | -179.7 | 65.1 | 0 | 0 | 0 | 0 | 111.6 | C681 D682 L715 A719 G720 V721 | C681-T717 HydrophobicContact CB-CG2 3.69Å; D682-T717 WeakPolarHBondContact OD1-CB 3.31Å; D682-T717 PolarHBondContact OD1-OG1 3.2Å; L715-T717 WeakPolarHBondContact O-CG2 3.4Å; L715-T717 PolarHBondContact O-N 3.14Å; T717-A719 PolarHBondContact O-N 3.06Å; T717-A719 PolarHBondContact OG1-N 3.18Å; T717-G720 PolarHBondContact O-N 3.46Å; T717-G720 PolarHBondContact OG1-N 3.39Å; T717-V721 WeakPolarHBondContact O-CG2 3.27Å; T717-V721 PolarHBondContact O-N 3.23Å; T717-V721 VanDerWaalsContact O-N 3.08Å | ||
| 718 | N | 86.3 | Confident | 84 | Confident | 79.3333 Ų | 79.3333 | 32.3 Ų | 32.3 | 42% | 0.424 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 173.9 | -115.5 | -11.5 | 0 | 0 | 0 | 112.5 | G720 V721 E722 I834 K838 | N718-G720 VanDerWaalsContact C-N 3.32Å; N718-G720 PolarHBondContact O-N 3.1Å; N718-V721 PolarHBondContact O-N 2.93Å; N718-E722 PolarHBondContact O-N 3.28Å; N718-I834 WeakPolarHBondContact OD1-CG2 3.29Å; N718-K838 WeakPolarHBondContact OD1-CE 3.21Å; N718-K838 PolarHBondContact OD1-NZ 3.12Å |
| 719 | A | 86.3 | Confident | 83.7 | Confident | 5.33333 Ų | 5.33333 | 32.9 Ų | 32.9 | 4% | 0.044 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.8 | -32 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | D682 F685 K686 T717 V721 E722 F723 | D682-A719 HydrophobicContact CB-CB 4.24Å; D682-A719 VanDerWaalsContact OD1-CB 3.25Å; D682-A719 WeakPolarHBondContact OD1-CB 3.43Å; D682-A719 PolarHBondContact OD1-N 3.08Å; F685-A719 HydrophobicContact CB-CB 4.25Å; K686-A719 HydrophobicContact CD-CB 4.34Å; K686-A719 VanDerWaalsContact CE-CB 3.47Å; K686-A719 HydrophobicContact CG-CB 3.91Å; T717-A719 PolarHBondContact O-N 3.06Å; T717-A719 PolarHBondContact OG1-N 3.18Å; A719-V721 VanDerWaalsContact C-N 3.32Å; A719-V721 PolarHBondContact O-N 2.85Å; A719-E722 WeakPolarHBondContact O-CB 3.34Å; A719-E722 PolarHBondContact O-N 2.88Å; A719-E722 VanDerWaalsContact O-N 3.17Å; A719-F723 PolarHBondContact O-N 3.35Å |
| 720 | G | 87.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | F685 M716 T717 N718 E722 F723 V724 | F685-G720 VanDerWaalsContact CG-CA 3.44Å; M716-G720 WeakPolarHBondContact SD-CA 3.27Å; T717-G720 PolarHBondContact O-N 3.46Å; T717-G720 PolarHBondContact OG1-N 3.39Å; N718-G720 VanDerWaalsContact C-N 3.32Å; N718-G720 PolarHBondContact O-N 3.1Å; G720-E722 VanDerWaalsContact C-N 3.33Å; G720-E722 PolarHBondContact O-N 3.34Å; G720-F723 WeakPolarHBondContact O-CB 3.28Å; G720-F723 PolarHBondContact O-N 3.28Å; G720-V724 VanDerWaalsContact O-CG2 3.3Å; G720-V724 WeakPolarHBondContact O-CG2 3.26Å; G720-V724 PolarHBondContact O-N 3.24Å |
| 721 | V | 85.9 | Confident | 83.5 | Confident | 3.66667 Ų | 3.66667 | 28.9 Ų | 28.9 | 2% | 0.022 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 173.1 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | M716 T717 N718 A719 F723 V724 V725 V835 K838 I839 | M716-V721 HydrophobicContact CG-CG2 4.33Å; T717-V721 WeakPolarHBondContact O-CG2 3.27Å; T717-V721 PolarHBondContact O-N 3.23Å; T717-V721 VanDerWaalsContact O-N 3.08Å; N718-V721 PolarHBondContact O-N 2.93Å; A719-V721 VanDerWaalsContact C-N 3.32Å; A719-V721 PolarHBondContact O-N 2.85Å; V721-F723 VanDerWaalsContact C-N 3.3Å; V721-F723 PolarHBondContact O-N 3.34Å; V721-V724 PolarHBondContact O-N 3.33Å; V721-V725 HydrophobicContact CG1-CG2 4.1Å; V721-V725 WeakPolarHBondContact O-CB 3.41Å; V721-V725 VanDerWaalsContact O-CG2 3.24Å; V721-V725 WeakPolarHBondContact O-CG2 3.41Å; V721-V725 PolarHBondContact O-N 3.12Å; V721-V835 HydrophobicContact CG2-CB 3.99Å; V721-V835 HydrophobicContact CG2-CG1 3.81Å; V721-V835 HydrophobicContact CG2-CG2 3.74Å; V721-K838 HydrophobicContact CB-CD 4.35Å; V721-K838 HydrophobicContact CG1-CB 3.73Å; V721-K838 HydrophobicContact CG1-CD 3.95Å; V721-K838 HydrophobicContact CG1-CG 4.41Å; V721-K838 HydrophobicContact CG2-CB 4.46Å; V721-K838 HydrophobicContact CG2-CD 4.42Å; V721-I839 HydrophobicContact CG1-CD1 4.07Å; V721-I839 HydrophobicContact CG1-CG1 4.08Å; V721-I839 HydrophobicContact CG2-CD1 4.35Å; V721-I839 HydrophobicContact CG2-CG1 4.41Å |
| 722 | E | 86 | Confident | 83 | Confident | 90 Ų | 90 | 28.3 Ų | 28.3 | 42% | 0.421 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 177.5 | -169.9 | 154.5 | 179.5 | 0 | 0 | 111 | I689 N718 A719 G720 V724 V725 Q726 | I689-E722 HydrophobicContact CD1-CB 4.14Å; I689-E722 HydrophobicContact CD1-CG 4.01Å; N718-E722 PolarHBondContact O-N 3.28Å; A719-E722 WeakPolarHBondContact O-CB 3.34Å; A719-E722 PolarHBondContact O-N 2.88Å; A719-E722 VanDerWaalsContact O-N 3.17Å; G720-E722 VanDerWaalsContact C-N 3.33Å; G720-E722 PolarHBondContact O-N 3.34Å; E722-V724 VanDerWaalsContact C-N 3.31Å; E722-V724 PolarHBondContact O-N 3.09Å; E722-V725 PolarHBondContact O-N 3.28Å; E722-V725 VanDerWaalsContact O-N 3.16Å; E722-Q726 HydrophobicContact CG-CG 4.46Å; E722-Q726 WeakPolarHBondContact O-CB 3.32Å; E722-Q726 VanDerWaalsContact O-CG 3.3Å; E722-Q726 WeakPolarHBondContact O-CG 3.41Å; E722-Q726 PolarHBondContact O-N 3.27Å; E722-Q726 PolarHBondContact OE1-NE2 3.25Å |
| 723 | F | 89.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.5 | -47.3 | 172.7 | 170.3 | -103.2 | 0 | 0 | 0 | 112 | W648 F685 F688 I689 L692 I704 Y708 I711 A719 G720 V721 V725 Q726 L727 | W648-F723 AromaticContact CH2-CE1 3.87Å; W648-F723 HydrophobicContact CH2-CE1 4.07Å; W648-F723 AromaticContact CH2-CZ 3.93Å; W648-F723 HydrophobicContact CH2-CZ 4.16Å; W648-F723 HydrophobicContact CZ3-CE1 4.3Å; W648-F723 AromaticContact CZ3-CZ 3.97Å; W648-F723 HydrophobicContact CZ3-CZ 4.18Å; F685-F723 HydrophobicContact CB-CB 4.1Å; F685-F723 HydrophobicContact CD1-CB 4.25Å; F685-F723 AromaticContact CD1-CD1 3.8Å; F685-F723 HydrophobicContact CD1-CD1 3.8Å; F685-F723 HydrophobicContact CD1-CE1 4.42Å; F685-F723 HydrophobicContact CD1-CG 4.1Å; F685-F723 HydrophobicContact CE1-CD1 4.22Å; F685-F723 HydrophobicContact CG-CB 4.41Å; F688-F723 HydrophobicContact CB-CD2 4.23Å; F688-F723 HydrophobicContact CB-CE2 3.83Å; F688-F723 HydrophobicContact CB-CZ 4.41Å; I689-F723 HydrophobicContact CD1-CB 4.04Å; I689-F723 HydrophobicContact CG1-CB 3.8Å; I689-F723 HydrophobicContact CG1-CD2 4.04Å; I689-F723 HydrophobicContact CG1-CG 4.44Å; L692-F723 HydrophobicContact CD1-CD2 4.09Å; L692-F723 HydrophobicContact CD1-CE2 4.31Å; L692-F723 HydrophobicContact CD2-CE2 4.4Å; I704-F723 HydrophobicContact CG2-CE2 4.11Å; I704-F723 HydrophobicContact CG2-CZ 3.78Å; Y708-F723 HydrophobicContact CD2-CE1 4.37Å; I711-F723 HydrophobicContact CD1-CE1 4.29Å; A719-F723 PolarHBondContact O-N 3.35Å; G720-F723 WeakPolarHBondContact O-CB 3.28Å; G720-F723 PolarHBondContact O-N 3.28Å; V721-F723 VanDerWaalsContact C-N 3.3Å; V721-F723 PolarHBondContact O-N 3.34Å; F723-V725 PolarHBondContact O-N 3.4Å; F723-Q726 PolarHBondContact O-N 3.22Å; F723-L727 HydrophobicContact CE1-CD2 3.97Å; F723-L727 HydrophobicContact CZ-CD2 3.89Å; F723-L727 WeakPolarHBondContact O-CB 3.37Å; F723-L727 PolarHBondContact O-N 3.22Å |
| 724 | V | 86.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 178.8 | 171.2 | 0 | 0 | 0 | 0 | 112.2 | Y708 M716 G720 V721 E722 F728 L824 F827 I839 | Y708-V724 HydrophobicContact CD2-CG2 4.18Å; Y708-V724 HydrophobicContact CE2-CB 4.27Å; Y708-V724 HydrophobicContact CE2-CG1 3.86Å; Y708-V724 HydrophobicContact CE2-CG2 3.7Å; M716-V724 HydrophobicContact CE-CG2 3.64Å; M716-V724 HydrophobicContact SD-CG2 4.25Å; G720-V724 VanDerWaalsContact O-CG2 3.3Å; G720-V724 WeakPolarHBondContact O-CG2 3.26Å; G720-V724 PolarHBondContact O-N 3.24Å; V721-V724 PolarHBondContact O-N 3.33Å; E722-V724 VanDerWaalsContact C-N 3.31Å; E722-V724 PolarHBondContact O-N 3.09Å; V724-F728 WeakPolarHBondContact O-CB 3.3Å; V724-F728 PolarHBondContact O-N 3.23Å; V724-L824 HydrophobicContact CG1-CD2 3.62Å; V724-F827 HydrophobicContact CG1-CD2 4.27Å; V724-F827 HydrophobicContact CG1-CE2 4.05Å; V724-F827 HydrophobicContact CG2-CD2 4.42Å; V724-F827 HydrophobicContact CG2-CE2 3.92Å; V724-F827 HydrophobicContact CG2-CZ 4.25Å; V724-I839 HydrophobicContact CB-CD1 4.49Å; V724-I839 HydrophobicContact CG1-CD1 3.93Å |
| 725 | V | 84.4 | Confident | 80.9 | Confident | 34 Ų | 34 | 26.9 Ų | 26.9 | 21% | 0.206 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -52.4 | 176.8 | 170.1 | 0 | 0 | 0 | 0 | 110.1 | V721 E722 F723 L727 F728 C729 L842 | V721-V725 HydrophobicContact CG1-CG2 4.1Å; V721-V725 WeakPolarHBondContact O-CB 3.41Å; V721-V725 VanDerWaalsContact O-CG2 3.24Å; V721-V725 WeakPolarHBondContact O-CG2 3.41Å; V721-V725 PolarHBondContact O-N 3.12Å; E722-V725 PolarHBondContact O-N 3.28Å; E722-V725 VanDerWaalsContact O-N 3.16Å; F723-V725 PolarHBondContact O-N 3.4Å; V725-L727 PolarHBondContact O-N 2.98Å; V725-F728 PolarHBondContact O-N 3.22Å; V725-C729 WeakPolarHBondContact O-CB 3.37Å; V725-C729 PolarHBondContact O-N 3.04Å; V725-C729 PolarHBondContact O-SG 3.23Å; V725-C729 VanDerWaalsContact O-SG 3.34Å; V725-L842 HydrophobicContact CG1-CD1 4.24Å; V725-L842 HydrophobicContact CG2-CD1 4.34Å; V725-L842 HydrophobicContact CG2-CD2 4Å; V725-L842 HydrophobicContact CG2-CG 4.47Å |
| 726 | Q | 83.7 | Confident | 79.4 | Confident | 42 Ų | 42 | 27.6 Ų | 27.6 | 20% | 0.196 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | -179.2 | -67.6 | -145.7 | 14 | 0 | 0 | 111.5 | L692 N693 E722 F723 F728 C729 R730 | L692-Q726 HydrophobicContact CD1-CB 3.61Å; N693-Q726 PolarHBondContact ND2-OE1 3.19Å; E722-Q726 HydrophobicContact CG-CG 4.46Å; E722-Q726 WeakPolarHBondContact O-CB 3.32Å; E722-Q726 VanDerWaalsContact O-CG 3.3Å; E722-Q726 WeakPolarHBondContact O-CG 3.41Å; E722-Q726 PolarHBondContact O-N 3.27Å; E722-Q726 PolarHBondContact OE1-NE2 3.25Å; F723-Q726 PolarHBondContact O-N 3.22Å; Q726-F728 PolarHBondContact O-N 2.9Å; Q726-C729 PolarHBondContact O-N 2.86Å; Q726-R730 VanDerWaalsContact O-CB 3.25Å; Q726-R730 WeakPolarHBondContact O-CB 3.18Å; Q726-R730 PolarHBondContact O-N 2.88Å |
| 727 | L | 86.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 178.1 | -179.7 | 69.1 | 0 | 0 | 0 | 111.6 | L692 W697 I704 Y708 F723 V725 C729 R730 I731 | L692-L727 HydrophobicContact CD1-CB 4.17Å; L692-L727 HydrophobicContact CD2-CB 4.44Å; L692-L727 HydrophobicContact CD2-CD1 3.73Å; W697-L727 HydrophobicContact CH2-CD1 3.44Å; W697-L727 VanDerWaalsContact CH2-CD1 3.43Å; W697-L727 HydrophobicContact CZ2-CD1 4.31Å; W697-L727 HydrophobicContact CZ3-CD1 3.9Å; I704-L727 HydrophobicContact CG2-CD1 3.72Å; I704-L727 HydrophobicContact CG2-CD2 4.38Å; Y708-L727 VanDerWaalsContact CB-CD2 3.46Å; Y708-L727 HydrophobicContact CD1-CD2 4.01Å; Y708-L727 HydrophobicContact CD2-CD2 3.53Å; Y708-L727 VanDerWaalsContact CD2-CD2 3.49Å; Y708-L727 HydrophobicContact CE1-CD2 4.48Å; Y708-L727 HydrophobicContact CE2-CD2 4.24Å; Y708-L727 HydrophobicContact CG-CD2 3.39Å; Y708-L727 VanDerWaalsContact CG-CD2 3.44Å; F723-L727 HydrophobicContact CE1-CD2 3.97Å; F723-L727 HydrophobicContact CZ-CD2 3.89Å; F723-L727 WeakPolarHBondContact O-CB 3.37Å; F723-L727 PolarHBondContact O-N 3.22Å; V725-L727 PolarHBondContact O-N 2.98Å; L727-C729 PolarHBondContact O-N 3.29Å; L727-R730 PolarHBondContact O-N 3.24Å; L727-I731 HydrophobicContact CD1-CD1 3.53Å; L727-I731 HydrophobicContact CD1-CG1 4.18Å; L727-I731 HydrophobicContact CD2-CD1 4.37Å; L727-I731 HydrophobicContact CG-CD1 3.84Å; L727-I731 WeakPolarHBondContact O-CB 3.46Å; L727-I731 VanDerWaalsContact O-CD1 3.32Å; L727-I731 WeakPolarHBondContact O-CD1 3.36Å; L727-I731 WeakPolarHBondContact O-CG1 3.34Å; L727-I731 PolarHBondContact O-N 3.4Å |
| 728 | F | 82.3 | Confident | 75.4 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | 179.7 | -175 | -88 | 0 | 0 | 0 | 111.5 | V724 V725 Q726 N732 L818 I819 L821 L824 L846 | V724-F728 WeakPolarHBondContact O-CB 3.3Å; V724-F728 PolarHBondContact O-N 3.23Å; V725-F728 PolarHBondContact O-N 3.22Å; Q726-F728 PolarHBondContact O-N 2.9Å; F728-N732 WeakPolarHBondContact CD2-ND2 3.5Å; F728-N732 WeakPolarHBondContact CE1-ND2 3.35Å; F728-N732 VanDerWaalsContact CE2-ND2 3.29Å; F728-N732 WeakPolarHBondContact CE2-ND2 3.26Å; F728-N732 WeakPolarHBondContact CZ-ND2 3.37Å; F728-N732 WeakPolarHBondContact O-CB 3.46Å; F728-N732 PolarHBondContact O-N 3.1Å; F728-N732 VanDerWaalsContact O-N 3.13Å; F728-N732 PolarHBondContact O-ND2 3.35Å; F728-L818 HydrophobicContact CE1-CD2 4.19Å; F728-L818 HydrophobicContact CZ-CB 4.28Å; F728-L818 HydrophobicContact CZ-CD1 4.38Å; F728-L818 HydrophobicContact CZ-CD2 4.3Å; F728-I819 VanDerWaalsContact CE2-O 3.32Å; F728-I819 WeakPolarHBondContact CE2-O 3.39Å; F728-L821 HydrophobicContact CE2-CD2 4.24Å; F728-L821 HydrophobicContact CZ-CD2 3.97Å; F728-L824 HydrophobicContact CD1-CD1 4.39Å; F728-L824 HydrophobicContact CD2-CD1 3.68Å; F728-L824 HydrophobicContact CD2-CD2 4.39Å; F728-L824 HydrophobicContact CD2-CG 4.12Å; F728-L824 HydrophobicContact CE1-CD1 4.3Å; F728-L824 HydrophobicContact CE2-CD1 3.5Å; F728-L824 VanDerWaalsContact CE2-CD1 3.48Å; F728-L824 HydrophobicContact CE2-CG 4.2Å; F728-L824 HydrophobicContact CG-CD1 4.14Å; F728-L824 HydrophobicContact CZ-CD1 3.83Å; F728-L846 HydrophobicContact CD1-CD1 3.99Å; F728-L846 HydrophobicContact CD1-CD2 4.24Å; F728-L846 HydrophobicContact CE1-CD1 3.37Å; F728-L846 HydrophobicContact CE1-CD2 3.94Å; F728-L846 HydrophobicContact CE1-CG 4.31Å; F728-L846 HydrophobicContact CZ-CD1 4Å |
| 729 | C | 78.2 | Confident | 73.4 | Confident | 13 Ų | 13 | 30.2 Ų | 30.2 | 9% | 0.088 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 174.6 | -68.9 | 0 | 0 | 0 | 0 | 111 | V725 Q726 L727 I731 N732 S733 I739 L742 L750 | V725-C729 WeakPolarHBondContact O-CB 3.37Å; V725-C729 PolarHBondContact O-N 3.04Å; V725-C729 PolarHBondContact O-SG 3.23Å; V725-C729 VanDerWaalsContact O-SG 3.34Å; Q726-C729 PolarHBondContact O-N 2.86Å; L727-C729 PolarHBondContact O-N 3.29Å; C729-I731 PolarHBondContact O-N 2.92Å; C729-N732 PolarHBondContact O-N 2.95Å; C729-S733 VanDerWaalsContact O-CB 3.32Å; C729-S733 WeakPolarHBondContact O-CB 3.38Å; C729-S733 PolarHBondContact O-N 3.03Å; C729-S733 PolarHBondContact O-OG 3.04Å; C729-S733 VanDerWaalsContact O-OG 3.12Å; C729-I739 HydrophobicContact CB-CG2 4.45Å; C729-L742 HydrophobicContact CB-CD1 4.12Å; C729-L750 HydrophobicContact CB-CD1 4.47Å |
| 730 | R | 79.8 | Confident | 71.3 | Confident | 85.6667 Ų | 85.6667 | 33.5 Ų | 33.5 | 32% | 0.323 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.5 | -48.8 | -178.5 | -169.6 | 60.3 | 163.2 | 138.7 | -9.4 | 112.5 | L692 W697 Q726 L727 N732 S733 D734 | L692-R730 PolarHBondContact O-NE 3.17Å; W697-R730 HydrophobicContact CD2-CG 4.35Å; W697-R730 HydrophobicContact CG-CG 4.44Å; W697-R730 HydrophobicContact CZ2-CB 4.49Å; W697-R730 HydrophobicContact CZ2-CG 4.07Å; Q726-R730 VanDerWaalsContact O-CB 3.25Å; Q726-R730 WeakPolarHBondContact O-CB 3.18Å; Q726-R730 PolarHBondContact O-N 2.88Å; L727-R730 PolarHBondContact O-N 3.24Å; R730-N732 PolarHBondContact O-N 3.23Å; R730-S733 WeakPolarHBondContact CA-OG 3.4Å; R730-S733 WeakPolarHBondContact O-CA 3.31Å; R730-S733 VanDerWaalsContact O-CB 3.23Å; R730-S733 WeakPolarHBondContact O-CB 3.32Å; R730-S733 PolarHBondContact O-N 3.26Å; R730-S733 VanDerWaalsContact O-N 3.1Å; R730-S733 PolarHBondContact O-OG 3.25Å; R730-D734 IonicContact CZ-OD1 3.37Å; R730-D734 IonicContact NE-OD1 3.91Å; R730-D734 IonicContact NH1-OD1 3.14Å; R730-D734 PolarHBondContact NH1-OD1 3.39Å; R730-D734 IonicContact NH1-OD2 3.65Å; R730-D734 WeakPolarHBondContact O-CB 3.24Å; R730-D734 PolarHBondContact O-N 3.22Å |
| 731 | I | 78.4 | Confident | 68.9 | Low | 4.66667 Ų | 4.66667 | 38.1 Ų | 38.1 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -40.4 | -179.1 | -75.1 | 167.7 | 0 | 0 | 0 | 112.1 | W697 W705 L727 C729 S733 D734 N735 I819 | W697-I731 HydrophobicContact CH2-CD1 3.93Å; W697-I731 HydrophobicContact CH2-CG1 3.9Å; W697-I731 HydrophobicContact CZ2-CD1 4.12Å; W697-I731 HydrophobicContact CZ2-CG1 3.57Å; W705-I731 HydrophobicContact CB-CD1 4.19Å; W705-I731 HydrophobicContact CD2-CD1 3.93Å; W705-I731 HydrophobicContact CE3-CD1 3.14Å; W705-I731 HydrophobicContact CE3-CG1 4.39Å; W705-I731 HydrophobicContact CE3-CG2 4.38Å; W705-I731 HydrophobicContact CG-CD1 4.3Å; W705-I731 HydrophobicContact CH2-CD1 4.43Å; W705-I731 HydrophobicContact CH2-CG2 4.03Å; W705-I731 HydrophobicContact CZ3-CB 4.36Å; W705-I731 HydrophobicContact CZ3-CD1 3.49Å; W705-I731 HydrophobicContact CZ3-CG1 4.24Å; W705-I731 HydrophobicContact CZ3-CG2 3.97Å; L727-I731 HydrophobicContact CD1-CD1 3.53Å; L727-I731 HydrophobicContact CD1-CG1 4.18Å; L727-I731 HydrophobicContact CD2-CD1 4.37Å; L727-I731 HydrophobicContact CG-CD1 3.84Å; L727-I731 WeakPolarHBondContact O-CB 3.46Å; L727-I731 VanDerWaalsContact O-CD1 3.32Å; L727-I731 WeakPolarHBondContact O-CD1 3.36Å; L727-I731 WeakPolarHBondContact O-CG1 3.34Å; L727-I731 PolarHBondContact O-N 3.4Å; C729-I731 PolarHBondContact O-N 2.92Å; I731-S733 VanDerWaalsContact C-N 3.33Å; I731-D734 PolarHBondContact O-N 3.22Å; I731-N735 WeakPolarHBondContact CG2-ND2 3.03Å; I731-N735 WeakPolarHBondContact O-CB 3.29Å; I731-N735 PolarHBondContact O-N 3.24Å; I731-N735 VanDerWaalsContact O-N 3.11Å; I731-N735 PolarHBondContact O-ND2 3.38Å; I731-I819 HydrophobicContact CG2-CB 4.49Å; I731-I819 HydrophobicContact CG2-CD1 4.43Å; I731-I819 HydrophobicContact CG2-CG2 4.37Å |
| 732 | N | 73.9 | Confident | 66.5 | Low | 0.333333 Ų | 0.333333 | 40 Ų | 40 | 0% | 0.002 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.2 | -26.8 | 176.6 | -70.9 | -77.1 | 0 | 0 | 0 | 111.7 | F728 C729 R730 T736 I739 L818 I819 | F728-N732 WeakPolarHBondContact CD2-ND2 3.5Å; F728-N732 WeakPolarHBondContact CE1-ND2 3.35Å; F728-N732 VanDerWaalsContact CE2-ND2 3.29Å; F728-N732 WeakPolarHBondContact CE2-ND2 3.26Å; F728-N732 WeakPolarHBondContact CZ-ND2 3.37Å; F728-N732 WeakPolarHBondContact O-CB 3.46Å; F728-N732 PolarHBondContact O-N 3.1Å; F728-N732 VanDerWaalsContact O-N 3.13Å; F728-N732 PolarHBondContact O-ND2 3.35Å; C729-N732 PolarHBondContact O-N 2.95Å; R730-N732 PolarHBondContact O-N 3.23Å; N732-T736 CarbonylContact O-C 3.52Å; N732-T736 WeakPolarHBondContact O-CA 3.35Å; N732-T736 WeakPolarHBondContact O-CB 3.4Å; N732-T736 PolarHBondContact O-N 2.96Å; N732-T736 PolarHBondContact O-OG1 3.15Å; N732-I739 HydrophobicContact CB-CD1 3.58Å; N732-I739 HydrophobicContact CB-CG1 4.09Å; N732-L818 HydrophobicContact CB-CD2 4.33Å; N732-I819 PolarHBondContact OD1-N 3.19Å; N732-I819 VanDerWaalsContact OD1-N 3.13Å |
| 733 | S | 69.5 | Low | 64.1 | Low | 34.6667 Ų | 34.6667 | 39.5 Ų | 39.5 | 24% | 0.242 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 169.6 | -22 | 0 | 0 | 0 | 0 | 112.3 | C729 R730 I731 T736 I739 | C729-S733 VanDerWaalsContact O-CB 3.32Å; C729-S733 WeakPolarHBondContact O-CB 3.38Å; C729-S733 PolarHBondContact O-N 3.03Å; C729-S733 PolarHBondContact O-OG 3.04Å; C729-S733 VanDerWaalsContact O-OG 3.12Å; R730-S733 WeakPolarHBondContact CA-OG 3.4Å; R730-S733 WeakPolarHBondContact O-CA 3.31Å; R730-S733 VanDerWaalsContact O-CB 3.23Å; R730-S733 WeakPolarHBondContact O-CB 3.32Å; R730-S733 PolarHBondContact O-N 3.26Å; R730-S733 VanDerWaalsContact O-N 3.1Å; R730-S733 PolarHBondContact O-OG 3.25Å; I731-S733 VanDerWaalsContact C-N 3.33Å; S733-T736 CarbonylContact C-O 3.58Å; S733-T736 CarbonylContact O-C 3.46Å; S733-I739 WeakPolarHBondContact CB-O 3.38Å; S733-I739 WeakPolarHBondContact OG-CB 3Å; S733-I739 WeakPolarHBondContact OG-CG2 3.39Å; S733-I739 PolarHBondContact OG-O 2.87Å |
| 734 | D | 64 | Low | 61.6 | Low | 57.3333 Ų | 57.3333 | 46.9 Ų | 46.9 | 31% | 0.307 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -74.3 | -34 | -177 | -63.3 | -13 | 0 | 0 | 0 | 112.3 | W697 R730 I731 | W697-D734 PolarHBondContact NE1-OD2 3.1Å; R730-D734 IonicContact CZ-OD1 3.37Å; R730-D734 IonicContact NE-OD1 3.91Å; R730-D734 IonicContact NH1-OD1 3.14Å; R730-D734 PolarHBondContact NH1-OD1 3.39Å; R730-D734 IonicContact NH1-OD2 3.65Å; R730-D734 WeakPolarHBondContact O-CB 3.24Å; R730-D734 PolarHBondContact O-N 3.22Å; I731-D734 PolarHBondContact O-N 3.22Å |
| 735 | N | 59 | Low | 59 | Low | 82.3333 Ų | 82.3333 | 53.9 Ų | 53.9 | 44% | 0.44 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -93.9 | -16.6 | -178.6 | -69.1 | -73.7 | 0 | 0 | 0 | 113.6 | I731 I819 | I731-N735 WeakPolarHBondContact CG2-ND2 3.03Å; I731-N735 WeakPolarHBondContact O-CB 3.29Å; I731-N735 PolarHBondContact O-N 3.24Å; I731-N735 VanDerWaalsContact O-N 3.11Å; I731-N735 PolarHBondContact O-ND2 3.38Å; N735-I819 HydrophobicContact CB-CD1 3.53Å; N735-I819 VanDerWaalsContact CG-CD1 3.43Å; N735-I819 WeakPolarHBondContact ND2-CD1 3.47Å |
| 736 | T | 49.3 | Very low | 56.6 | Low | 32.3333 Ų | 32.3333 | 57.1 Ų | 57.1 | 20% | 0.198 | 30% | 0.3 | C | S | . | . | trans | -144.9 | 131.7 | -179.9 | 69.3 | 0 | 0 | 0 | 0 | 111.3 | N732 S733 I738 | N732-T736 CarbonylContact O-C 3.52Å; N732-T736 WeakPolarHBondContact O-CA 3.35Å; N732-T736 WeakPolarHBondContact O-CB 3.4Å; N732-T736 PolarHBondContact O-N 2.96Å; N732-T736 PolarHBondContact O-OG1 3.15Å; S733-T736 CarbonylContact C-O 3.58Å; S733-T736 CarbonylContact O-C 3.46Å; T736-I738 HydrophobicContact CG2-CD1 3.92Å; T736-I738 HydrophobicContact CG2-CG1 4.43Å; T736-I738 PolarHBondContact O-N 3.41Å; T736-I738 WeakPolarHBondContact OG1-CB 3.2Å | ||
| 737 | C | 42.8 | Very low | 54.1 | Low | 104.333 Ų | 104.333 | 60.1 Ų | 60.1 | 71% | 0.705 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 25.4 | 173.9 | -86.8 | 0 | 0 | 0 | 0 | 113.7 | S740 | C737-S740 VanDerWaalsContact C-OG 3.22Å; C737-S740 WeakPolarHBondContact CA-OG 3.37Å; C737-S740 PolarHBondContact O-OG 3.32Å; C737-S740 PolarHBondContact SG-OG 3.17Å |
| 738 | I | 44.5 | Very low | 51.6 | Low | 37 Ų | 37 | 62.5 Ų | 62.5 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -25.8 | -170.3 | -58.3 | 172.8 | 0 | 0 | 0 | 111.2 | T736 L742 L750 L751 I816 F850 | T736-I738 HydrophobicContact CG2-CD1 3.92Å; T736-I738 HydrophobicContact CG2-CG1 4.43Å; T736-I738 PolarHBondContact O-N 3.41Å; T736-I738 WeakPolarHBondContact OG1-CB 3.2Å; I738-L742 PolarHBondContact O-N 3.25Å; I738-L750 HydrophobicContact CG2-CB 3.6Å; I738-L750 HydrophobicContact CG2-CD2 3.76Å; I738-L750 HydrophobicContact CG2-CG 3.69Å; I738-L750 WeakPolarHBondContact O-CA 3.4Å; I738-L751 PolarHBondContact O-N 2.83Å; I738-I816 HydrophobicContact CD1-CB 4.22Å; I738-I816 HydrophobicContact CD1-CG1 3.9Å; I738-I816 HydrophobicContact CD1-CG2 4.09Å; I738-I816 HydrophobicContact CG2-CG2 4.25Å; I738-F850 HydrophobicContact CG2-CE1 3.85Å |
| 739 | I | 44.4 | Very low | 49.1 | Very low | 5.66667 Ų | 5.66667 | 69 Ų | 69 | 3% | 0.029 | 36% | 0.362 | C | S | . | . | trans | -101 | 7.3 | 179.6 | -59.3 | -173.6 | 0 | 0 | 0 | 111.2 | C729 N732 S733 E741 L742 N743 | C729-I739 HydrophobicContact CB-CG2 4.45Å; N732-I739 HydrophobicContact CB-CD1 3.58Å; N732-I739 HydrophobicContact CB-CG1 4.09Å; S733-I739 WeakPolarHBondContact CB-O 3.38Å; S733-I739 WeakPolarHBondContact OG-CB 3Å; S733-I739 WeakPolarHBondContact OG-CG2 3.39Å; S733-I739 PolarHBondContact OG-O 2.87Å; I739-E741 VanDerWaalsContact C-N 3.3Å; I739-E741 PolarHBondContact O-N 3.2Å; I739-L742 HydrophobicContact CG1-CD1 4.23Å; I739-L742 HydrophobicContact CG2-CB 4.07Å; I739-L742 CarbonylContact O-C 3.58Å; I739-L742 WeakPolarHBondContact O-CA 3.38Å; I739-L742 WeakPolarHBondContact O-CB 3.4Å; I739-L742 PolarHBondContact O-N 2.98Å; I739-N743 VanDerWaalsContact CG2-ND2 3.27Å; I739-N743 WeakPolarHBondContact CG2-ND2 3.37Å; I739-N743 WeakPolarHBondContact O-CB 3.27Å; I739-N743 PolarHBondContact O-N 3.03Å; I739-N743 PolarHBondContact O-ND2 2.79Å | ||
| 740 | S | 40.9 | Very low | 46.9 | Very low | 76.3333 Ų | 76.3333 | 72 Ų | 72 | 53% | 0.534 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -84 | -28 | 171.3 | 42.7 | 0 | 0 | 0 | 0 | 112.8 | C737 L742 N743 | C737-S740 VanDerWaalsContact C-OG 3.22Å; C737-S740 WeakPolarHBondContact CA-OG 3.37Å; C737-S740 PolarHBondContact O-OG 3.32Å; C737-S740 PolarHBondContact SG-OG 3.17Å; S740-L742 VanDerWaalsContact C-N 3.28Å; S740-L742 PolarHBondContact O-N 3.03Å; S740-N743 PolarHBondContact O-N 3.34Å |
| 741 | E | 38 | Very low | 44.4 | Very low | 95.6667 Ų | 95.6667 | 72.9 Ų | 72.9 | 45% | 0.447 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -83.9 | 0.5 | 176 | -66.9 | -179.3 | -174.8 | 0 | 0 | 112.2 | I739 I854 | I739-E741 VanDerWaalsContact C-N 3.3Å; I739-E741 PolarHBondContact O-N 3.2Å; E741-I854 WeakPolarHBondContact OE2-CD1 3.35Å |
| 742 | L | 35.9 | Very low | 42 | Very low | 44 Ų | 44 | 76.6 Ų | 76.6 | 23% | 0.23 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -95.5 | -2.9 | 174.2 | -85.7 | 165.1 | 0 | 0 | 0 | 111.6 | C729 I738 I739 S740 E744 F745 I748 L846 N849 F850 | C729-L742 HydrophobicContact CB-CD1 4.12Å; I738-L742 PolarHBondContact O-N 3.25Å; I739-L742 HydrophobicContact CG1-CD1 4.23Å; I739-L742 HydrophobicContact CG2-CB 4.07Å; I739-L742 CarbonylContact O-C 3.58Å; I739-L742 WeakPolarHBondContact O-CA 3.38Å; I739-L742 WeakPolarHBondContact O-CB 3.4Å; I739-L742 PolarHBondContact O-N 2.98Å; S740-L742 VanDerWaalsContact C-N 3.28Å; S740-L742 PolarHBondContact O-N 3.03Å; L742-E744 VanDerWaalsContact C-N 3.3Å; L742-E744 PolarHBondContact O-N 2.91Å; L742-F745 PolarHBondContact O-N 3.38Å; L742-F745 VanDerWaalsContact O-N 3.12Å; L742-I748 HydrophobicContact CD2-CG1 4.31Å; L742-L846 HydrophobicContact CD1-CD2 4.43Å; L742-N849 HydrophobicContact CD2-CB 3.65Å; L742-N849 WeakPolarHBondContact CD2-O 3.12Å; L742-N849 WeakPolarHBondContact CG-O 3.36Å; L742-F850 HydrophobicContact CD2-CD1 3.6Å; L742-F850 HydrophobicContact CD2-CE1 3.56Å; L742-F850 HydrophobicContact CD2-CG 4.24Å; L742-F850 HydrophobicContact CD2-CZ 4.12Å; L742-F850 HydrophobicContact CG-CE1 4.34Å |
| 743 | N | 35.4 | Very low | 39.6 | Very low | 78.6667 Ų | 78.6667 | 83.7 Ų | 83.7 | 42% | 0.421 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -79.7 | -10.9 | 176.5 | -73.9 | -8.2 | 0 | 0 | 0 | 112.1 | I739 S740 F745 | I739-N743 VanDerWaalsContact CG2-ND2 3.27Å; I739-N743 WeakPolarHBondContact CG2-ND2 3.37Å; I739-N743 WeakPolarHBondContact O-CB 3.27Å; I739-N743 PolarHBondContact O-N 3.03Å; I739-N743 PolarHBondContact O-ND2 2.79Å; S740-N743 PolarHBondContact O-N 3.34Å; N743-F745 PolarHBondContact O-N 3.12Å |
| 744 | E | 36.9 | Very low | 37.5 | Very low | 156.333 Ų | 156.333 | 87.4 Ų | 87.4 | 73% | 0.731 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 3 | -176.4 | -82 | -174.5 | 140.1 | 0 | 0 | 113.9 | L742 N746 | L742-E744 VanDerWaalsContact C-N 3.3Å; L742-E744 PolarHBondContact O-N 2.91Å; E744-N746 PolarHBondContact O-N 3.35Å |
| 745 | F | 31 | Very low | 35.7 | Very low | 147.333 Ų | 147.333 | 89.9 Ų | 89.9 | 65% | 0.646 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 14.6 | 173 | -86.5 | -82.3 | 0 | 0 | 0 | 116 | L742 N743 T747 Q845 N851 | L742-F745 PolarHBondContact O-N 3.38Å; L742-F745 VanDerWaalsContact O-N 3.12Å; N743-F745 PolarHBondContact O-N 3.12Å; F745-T747 PolarHBondContact O-N 2.67Å; F745-Q845 PolarHBondContact O-NE2 3.24Å; F745-Q845 VanDerWaalsContact O-NE2 3.17Å; F745-N851 VanDerWaalsContact CD2-OD1 3.25Å; F745-N851 WeakPolarHBondContact CD2-OD1 3.49Å; F745-N851 WeakPolarHBondContact CE2-OD1 3.42Å |
| 746 | N | 34 | Very low | 34.2 | Very low | 100.667 Ų | 100.667 | 91.7 Ų | 91.7 | 54% | 0.538 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.8 | -173.7 | -74.3 | -53.5 | 0 | 0 | 0 | 113.8 | E744 I748 K749 N849 | E744-N746 PolarHBondContact O-N 3.35Å; N746-I748 PolarHBondContact O-N 3Å; N746-K749 VanDerWaalsContact O-CB 3.31Å; N746-K749 WeakPolarHBondContact O-CB 3.43Å; N746-K749 PolarHBondContact O-N 2.8Å; N746-K749 VanDerWaalsContact O-N 3.08Å; N746-K749 WeakPolarHBondContact OD1-CD 3.41Å; N746-N849 PolarHBondContact ND2-ND2 3.2Å |
| 747 | T | 31.3 | Very low | 33 | Very low | 104.667 Ų | 104.667 | 95.7 Ų | 95.7 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | trans | -81.6 | 49.1 | 175 | 36.2 | 0 | 0 | 0 | 0 | 113.6 | F745 K749 | F745-T747 PolarHBondContact O-N 2.67Å; T747-K749 PolarHBondContact O-N 3.31Å | ||
| 748 | I | 33.8 | Very low | 32.2 | Very low | 51.3333 Ų | 51.3333 | 96.1 Ų | 96.1 | 26% | 0.263 | 54% | 0.541 | S | S | . | . | trans | -81 | 74.4 | 155.1 | -57.8 | 176.6 | 0 | 0 | 0 | 107.1 | L742 N746 L750 L751 L842 Q845 L846 N849 | L742-I748 HydrophobicContact CD2-CG1 4.31Å; N746-I748 PolarHBondContact O-N 3Å; I748-L750 HydrophobicContact CG2-CD1 4.17Å; I748-L750 PolarHBondContact O-N 3.27Å; I748-L751 PolarHBondContact O-N 3.22Å; I748-L751 VanDerWaalsContact O-N 3.15Å; I748-L842 HydrophobicContact CD1-CD1 4.08Å; I748-Q845 HydrophobicContact CD1-CB 4.19Å; I748-L846 HydrophobicContact CD1-CD2 4.28Å; I748-N849 PolarHBondContact N-ND2 3.36Å; I748-N849 VanDerWaalsContact O-CB 3.28Å; I748-N849 WeakPolarHBondContact O-CB 3.1Å; I748-N849 PolarHBondContact O-ND2 3.15Å | ||
| 749 | K | 30.9 | Very low | 31.3 | Very low | 136.333 Ų | 136.333 | 99.4 Ų | 99.4 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | trans | -85.5 | 65.4 | -175.5 | -157.6 | 174.4 | -173.4 | 177.7 | 0 | 110.5 | N746 T747 L751 S752 | N746-K749 VanDerWaalsContact O-CB 3.31Å; N746-K749 WeakPolarHBondContact O-CB 3.43Å; N746-K749 PolarHBondContact O-N 2.8Å; N746-K749 VanDerWaalsContact O-N 3.08Å; N746-K749 WeakPolarHBondContact OD1-CD 3.41Å; T747-K749 PolarHBondContact O-N 3.31Å; K749-L751 PolarHBondContact O-N 3.15Å; K749-L751 VanDerWaalsContact O-N 3.1Å; K749-S752 PolarHBondContact O-N 3.11Å | ||
| 750 | L | 30.3 | Very low | 30.4 | Very low | 76.6667 Ų | 76.6667 | 104.5 Ų | 104.5 | 40% | 0.401 | 60% | 0.604 | S | S | . | * | B | Isolated β-bridge | trans | -66.5 | 81.4 | 172.8 | -114.2 | 133.4 | 0 | 0 | 0 | 109.2 | C729 I738 I748 S752 N849 F850 N851 | C729-L750 HydrophobicContact CB-CD1 4.47Å; I738-L750 HydrophobicContact CG2-CB 3.6Å; I738-L750 HydrophobicContact CG2-CD2 3.76Å; I738-L750 HydrophobicContact CG2-CG 3.69Å; I738-L750 WeakPolarHBondContact O-CA 3.4Å; I748-L750 HydrophobicContact CG2-CD1 4.17Å; I748-L750 PolarHBondContact O-N 3.27Å; L750-S752 PolarHBondContact O-N 3.14Å; L750-S752 PolarHBondContact O-OG 2.92Å; L750-N849 WeakPolarHBondContact CD1-O 3.43Å; L750-F850 HydrophobicContact CD2-CD1 4.29Å; L750-F850 HydrophobicContact CD2-CE1 4.09Å; L750-N851 PolarHBondContact O-ND2 2.79Å |
| 751 | L | 29.1 | Very low | 29.6 | Very low | 103.667 Ų | 103.667 | 107.9 Ų | 107.9 | 54% | 0.543 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -93.2 | 69 | 178.6 | -76.1 | 156.4 | 0 | 0 | 0 | 111.5 | I738 I748 K749 M753 | I738-L751 PolarHBondContact O-N 2.83Å; I748-L751 PolarHBondContact O-N 3.22Å; I748-L751 VanDerWaalsContact O-N 3.15Å; K749-L751 PolarHBondContact O-N 3.15Å; K749-L751 VanDerWaalsContact O-N 3.1Å; L751-M753 PolarHBondContact O-N 3.26Å |
| 752 | S | 26.1 | Very low | 29.1 | Very low | 82.3333 Ų | 82.3333 | 108.9 Ų | 108.9 | 58% | 0.576 | 63% | 0.63 | S | S | * | * | trans | -103.5 | 84 | 177.4 | 58 | 0 | 0 | 0 | 0 | 110.2 | K749 L750 T754 | K749-S752 PolarHBondContact O-N 3.11Å; L750-S752 PolarHBondContact O-N 3.14Å; L750-S752 PolarHBondContact O-OG 2.92Å; S752-T754 PolarHBondContact O-N 2.9Å | ||
| 753 | M | 24.8 | Very low | 28.5 | Very low | 149.333 Ų | 149.333 | 114.4 Ų | 114.4 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 86.3 | 169.3 | -72 | -113.2 | 76.7 | 0 | 0 | 111.4 | L751 S755 | L751-M753 PolarHBondContact O-N 3.26Å; M753-S755 PolarHBondContact O-N 3.09Å |
| 754 | T | 25 | Very low | 27.9 | Very low | 113.667 Ų | 113.667 | 116.4 Ų | 116.4 | 70% | 0.697 | 68% | 0.678 | S | S | * | * | trans | -76.5 | 108.7 | 154.1 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | S752 | S752-T754 PolarHBondContact O-N 2.9Š| ||
| 755 | S | 26.4 | Very low | 27.3 | Very low | 109.333 Ų | 109.333 | 113.9 Ų | 113.9 | 77% | 0.765 | 68% | 0.679 | S | S | * | * | trans | -111 | 118.8 | 166.4 | -64.2 | 0 | 0 | 0 | 0 | 109.1 | M753 S757 | M753-S755 PolarHBondContact O-N 3.09Å; S755-S757 PolarHBondContact O-N 2.78Å | ||
| 756 | P | 27.5 | Very low | 27 | Very low | 121 Ų | 121 | 113 Ų | 113 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | trans | -69.8 | 139.7 | -177.5 | 13.4 | -12.2 | 0 | 0 | 0 | 111 | S758 | P756-S758 VanDerWaalsContact C-N 3.34Å; P756-S758 PolarHBondContact O-N 3Å | ||
| 757 | S | 24.7 | Very low | 26.6 | Very low | 114.333 Ų | 114.333 | 115.2 Ų | 115.2 | 80% | 0.8 | 70% | 0.696 | S | S | * | * | trans | -72.7 | 116.6 | 167.4 | 16.1 | 0 | 0 | 0 | 0 | 111.7 | S755 S759 | S755-S757 PolarHBondContact O-N 2.78Å; S757-S759 PolarHBondContact O-N 3.25Å | ||
| 758 | S | 25.5 | Very low | 26.3 | Very low | 114.667 Ų | 114.667 | 115.1 Ų | 115.1 | 80% | 0.802 | 69% | 0.694 | S | S | * | * | trans | -42.4 | 93.1 | 167.8 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | P756 S760 | P756-S758 VanDerWaalsContact C-N 3.34Å; P756-S758 PolarHBondContact O-N 3Å; S758-S760 PolarHBondContact O-N 3.1Å | ||
| 759 | S | 24.8 | Very low | 25.8 | Very low | 104.667 Ų | 104.667 | 119.4 Ų | 119.4 | 73% | 0.732 | 72% | 0.718 | S | S | * | * | trans | -85.3 | 115.9 | 152.8 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | S757 L761 | S757-S759 PolarHBondContact O-N 3.25Å; S759-L761 VanDerWaalsContact C-N 3.31Å; S759-L761 PolarHBondContact O-N 2.89Å | ||
| 760 | S | 25.2 | Very low | 25.5 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -37.9 | 93.6 | 169.5 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | S758 | S758-S760 PolarHBondContact O-N 3.1Š| ||
| 761 | L | 24.2 | Very low | 25.1 | Very low | 147.333 Ų | 147.333 | 122.2 Ų | 122.2 | 77% | 0.771 | 74% | 0.742 | S | S | * | * | trans | -68.9 | 139.9 | 153.6 | -81.6 | 156.8 | 0 | 0 | 0 | 109.1 | S759 L763 | S759-L761 VanDerWaalsContact C-N 3.31Å; S759-L761 PolarHBondContact O-N 2.89Å; L761-L763 HydrophobicContact CD2-CD1 4.09Å; L761-L763 HydrophobicContact CD2-CG 4.09Å; L761-L763 PolarHBondContact O-N 3.13Å | ||
| 762 | P | 27.6 | Very low | 24.9 | Very low | 116.333 Ų | 116.333 | 125 Ų | 125 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -90.8 | 118.1 | 168.6 | 24.2 | -17.7 | 0 | 0 | 0 | 111.8 | S764 | P762-S764 PolarHBondContact O-N 2.99Å; P762-S764 VanDerWaalsContact O-N 3.15Å | ||
| 763 | L | 23.9 | Very low | 24.8 | Very low | 160.333 Ų | 160.333 | 127.4 Ų | 127.4 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -47.8 | 104.1 | 143.5 | -78.4 | 159.5 | 0 | 0 | 0 | 111.4 | L761 S765 | L761-L763 HydrophobicContact CD2-CD1 4.09Å; L761-L763 HydrophobicContact CD2-CG 4.09Å; L761-L763 PolarHBondContact O-N 3.13Å; L763-S765 PolarHBondContact O-N 2.74Å | ||
| 764 | S | 24 | Very low | 24.7 | Very low | 119.333 Ų | 119.333 | 125.6 Ų | 125.6 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -68.6 | 132.4 | 154.3 | -71.8 | 0 | 0 | 0 | 0 | 112.9 | P762 T766 | P762-S764 PolarHBondContact O-N 2.99Å; P762-S764 VanDerWaalsContact O-N 3.15Å; S764-T766 PolarHBondContact O-N 2.94Å | ||
| 765 | S | 23.4 | Very low | 24.7 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -84.3 | 133.1 | 168.8 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | L763 I767 | L763-S765 PolarHBondContact O-N 2.74Å; S765-I767 PolarHBondContact O-N 2.81Å | ||
| 766 | T | 24.2 | Very low | 24.5 | Very low | 127.667 Ų | 127.667 | 129.7 Ų | 129.7 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | -124.3 | 137.1 | 124.4 | -20.1 | 0 | 0 | 0 | 0 | 111.3 | S764 | S764-T766 PolarHBondContact O-N 2.94Š| |||
| 767 | I | 25.3 | Very low | 24.4 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -112.6 | 114.5 | 167.7 | -60.4 | 171.3 | 0 | 0 | 0 | 111.2 | S765 | S765-I767 PolarHBondContact O-N 2.81Š| ||
| 768 | V | 25.2 | Very low | 24.4 | Very low | 101.333 Ų | 101.333 | 130.8 Ų | 130.8 | 61% | 0.614 | 76% | 0.758 | S | S | * | * | trans | -52.4 | 116.2 | 155.9 | 176.5 | 0 | 0 | 0 | 0 | 113.3 | H770 | V768-H770 PolarHBondContact O-N 3.27Š| ||
| 769 | N | 23 | Very low | 24.3 | Very low | 142.667 Ų | 142.667 | 136 Ų | 136 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | -31.3 | 117.3 | 149.8 | -62.4 | -20.3 | 0 | 0 | 0 | 113.4 | ||||
| 770 | H | 24.6 | Very low | 24.2 | Very low | 175.667 Ų | 175.667 | 137 Ų | 137 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -128.5 | 107.6 | 142.3 | -102.5 | -39.9 | 0 | 0 | 0 | 109.5 | V768 I772 | V768-H770 PolarHBondContact O-N 3.27Å; H770-I772 PolarHBondContact O-N 3.12Å | ||
| 771 | S | 22.5 | Very low | 24 | Very low | 96.3333 Ų | 96.3333 | 137.8 Ų | 137.8 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | trans | -84 | 123.5 | -177.3 | 81.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 772 | I | 25.1 | Very low | 24 | Very low | 162.333 Ų | 162.333 | 135.9 Ų | 135.9 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -131.7 | 99.2 | 148.4 | -57.8 | -177.6 | 0 | 0 | 0 | 107.1 | H770 P774 | H770-I772 PolarHBondContact O-N 3.12Å; I772-P774 WeakPolarHBondContact O-CD 3.21Å | ||
| 773 | I | 23.2 | Very low | 23.8 | Very low | 132.333 Ų | 132.333 | 134.9 Ų | 134.9 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | trans | -102.5 | 121.8 | 172.6 | -62.8 | 164.9 | 0 | 0 | 0 | 106.5 | N775 | I773-N775 WeakPolarHBondContact CG2-OD1 3.28Å; I773-N775 PolarHBondContact O-N 3.38Å | ||
| 774 | P | 23.8 | Very low | 23.9 | Very low | 110.667 Ų | 110.667 | 134.2 Ų | 134.2 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | trans | -105.5 | 117.9 | 140.3 | 18.6 | -6.2 | 0 | 0 | 0 | 109.5 | I772 | I772-P774 WeakPolarHBondContact O-CD 3.21Š| ||
| 775 | N | 24.2 | Very low | 24 | Very low | 132.667 Ų | 132.667 | 135.1 Ų | 135.1 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | trans | 39.9 | 107.5 | 144.5 | -62.3 | -4.8 | 0 | 0 | 0 | 114 | I773 T777 | I773-N775 WeakPolarHBondContact CG2-OD1 3.28Å; I773-N775 PolarHBondContact O-N 3.38Å; N775-T777 PolarHBondContact O-N 3.07Å | ||
| 776 | E | 23.3 | Very low | 24.1 | Very low | 176.667 Ų | 176.667 | 137.9 Ų | 137.9 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | -31.8 | 121.6 | 130 | -70.4 | 177.8 | 149.9 | 0 | 0 | 110.9 | ||||
| 777 | T | 25.9 | Very low | 24.2 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | -157.9 | 103.1 | 144.7 | 20.2 | 0 | 0 | 0 | 0 | 111.1 | N775 | N775-T777 PolarHBondContact O-N 3.07Š| ||
| 778 | N | 23.5 | Very low | 24.2 | Very low | 134.667 Ų | 134.667 | 138.3 Ų | 138.3 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | 25.1 | 104.8 | 149 | -52.2 | -20.2 | 0 | 0 | 0 | 117.5 | T780 | N778-T780 PolarHBondContact O-N 2.91Š| ||
| 779 | Y | 23.5 | Very low | 24.2 | Very low | 223.667 Ų | 223.667 | 144.2 Ų | 144.2 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | -97.5 | 123.7 | 127.1 | -79 | -89.4 | 0 | 0 | 0 | 111.6 | V781 | Y779-V781 PolarHBondContact O-N 3.06Š| |||
| 780 | T | 22.1 | Very low | 24.3 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -64.9 | 114.9 | 160.2 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | N778 T782 | N778-T780 PolarHBondContact O-N 2.91Å; T780-T782 PolarHBondContact O-N 3.4Å | ||
| 781 | V | 22.7 | Very low | 24.3 | Very low | 129.667 Ų | 129.667 | 140.4 Ų | 140.4 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -71.4 | 128.4 | 169.8 | 174.7 | 0 | 0 | 0 | 0 | 109.8 | Y779 T783 | Y779-V781 PolarHBondContact O-N 3.06Å; V781-T783 HydrophobicContact CG1-CG2 4.04Å; V781-T783 PolarHBondContact O-N 3.45Å | ||
| 782 | T | 22.9 | Very low | 24.4 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | trans | -116 | 117 | 158.8 | 32.5 | 0 | 0 | 0 | 0 | 110.7 | T780 I784 | T780-T782 PolarHBondContact O-N 3.4Å; T782-I784 PolarHBondContact O-N 3.16Å; T782-I784 VanDerWaalsContact O-N 3.1Å | ||
| 783 | T | 23.6 | Very low | 24.4 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | trans | -82.3 | 126.5 | -174.7 | 17.3 | 0 | 0 | 0 | 0 | 112.9 | V781 N785 | V781-T783 HydrophobicContact CG1-CG2 4.04Å; V781-T783 PolarHBondContact O-N 3.45Å; T783-N785 PolarHBondContact O-N 3.36Å; T783-N785 VanDerWaalsContact O-N 3.1Å | ||
| 784 | I | 25.6 | Very low | 24.5 | Very low | 145.667 Ų | 145.667 | 139.6 Ų | 139.6 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | trans | -88.2 | 117.5 | 176.3 | -62.4 | 169.8 | 0 | 0 | 0 | 109.2 | T782 H786 | T782-I784 PolarHBondContact O-N 3.16Å; T782-I784 VanDerWaalsContact O-N 3.1Å; I784-H786 PolarHBondContact O-N 3Å | ||
| 785 | N | 27 | Very low | 24.6 | Very low | 138.333 Ų | 138.333 | 140.3 Ų | 140.3 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | trans | -100.5 | 125.3 | 164 | -126.1 | -8.7 | 0 | 0 | 0 | 110 | T783 N787 | T783-N785 PolarHBondContact O-N 3.36Å; T783-N785 VanDerWaalsContact O-N 3.1Å; N785-N787 PolarHBondContact O-N 3.12Å | ||
| 786 | H | 24.8 | Very low | 24.6 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -84.2 | 113.8 | 170.5 | -79.3 | -63.7 | 0 | 0 | 0 | 111.1 | I784 | I784-H786 PolarHBondContact O-N 3Š| ||
| 787 | N | 25.4 | Very low | 24.8 | Very low | 142.333 Ų | 142.333 | 137.8 Ų | 137.8 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | trans | -177 | 130.4 | 135.9 | -89.8 | -25 | 0 | 0 | 0 | 110.7 | N785 | N785-N787 PolarHBondContact O-N 3.12Š| ||
| 788 | N | 26.9 | Very low | 24.8 | Very low | 141.667 Ų | 141.667 | 137.7 Ų | 137.7 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | trans | 92.1 | 98.8 | 149.1 | -67.7 | -10.6 | 0 | 0 | 0 | 116.5 | S790 | N788-S790 PolarHBondContact O-N 2.94Š| ||
| 789 | Y | 25 | Very low | 24.9 | Very low | 226.333 Ų | 226.333 | 137 Ų | 137 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -46 | 127.2 | 136.8 | -74.9 | -81.8 | 0 | 0 | 0 | 113.4 | ||||
| 790 | S | 24 | Very low | 25.3 | Very low | 108.333 Ų | 108.333 | 133.7 Ų | 133.7 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | trans | 160.6 | 115.8 | 163.9 | -65.6 | 0 | 0 | 0 | 0 | 111 | N788 | N788-S790 PolarHBondContact O-N 2.94Š| ||
| 791 | T | 25.9 | Very low | 25.8 | Very low | 129.667 Ų | 129.667 | 134 Ų | 134 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | 53.7 | 119.1 | 131.5 | 55.1 | 0 | 0 | 0 | 0 | 114.6 | T793 | T791-T793 PolarHBondContact O-N 3.19Š| ||
| 792 | V | 24.2 | Very low | 26.1 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | -24.4 | 118.1 | 164 | -175.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 793 | T | 25.4 | Very low | 26.4 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -177.4 | 131.2 | 150.5 | 30.7 | 0 | 0 | 0 | 0 | 113.7 | T791 T795 | T791-T793 PolarHBondContact O-N 3.19Å; T793-T795 PolarHBondContact O-N 2.89Å | ||
| 794 | T | 24.6 | Very low | 26.7 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | -71.9 | 127.5 | 142.2 | 35.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 795 | T | 25.4 | Very low | 26.9 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | 86.1 | 128.4 | 136.7 | 41.4 | 0 | 0 | 0 | 0 | 119.5 | T793 | T793-T795 PolarHBondContact O-N 2.89Š| ||
| 796 | T | 25.2 | Very low | 27 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | 38.7 | 141 | 152.7 | 55.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 797 | N | 27 | Very low | 27.2 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | 125.5 | 146.5 | 113.9 | -82 | -9.2 | 0 | 0 | 0 | 117.2 | |||||
| 798 | T | 26.9 | Very low | 27.4 | Very low | 122.333 Ų | 122.333 | 127.1 Ų | 127.1 | 75% | 0.751 | 74% | 0.739 | S | S | * | * | trans | 60.3 | 111.2 | 153.8 | 35.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 799 | T | 25.7 | Very low | 27.4 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | 29.4 | 143 | 89.9 | 40 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 800 | I | 31.5 | Very low | 27.4 | Very low | 152.667 Ų | 152.667 | 120.5 Ų | 120.5 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | -167.5 | 153.7 | 94.8 | -108.2 | 155.6 | 0 | 0 | 0 | 110.2 | |||||
| 801 | N | 32.1 | Very low | 27.5 | Very low | 133.75 Ų | 133.75 | 120.4 Ų | 120.4 | 72% | 0.715 | 72% | 0.715 | S | S | * | * | trans | -48.1 | 139.4 | 179.8 | -51.5 | -19.1 | 0 | 0 | 0 | 116.2 | ||||
| 802 | T | 30 | Very low | 27.6 | Very low | 119.75 Ų | 119.75 | 119.3 Ų | 119.3 | 74% | 0.735 | 71% | 0.708 | S | S | * | * | 167.9 | 130.9 | 128.3 | 39.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 803 | T | 28.1 | Very low | 27.9 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 73% | 0.73 | 70% | 0.701 | S | S | * | * | trans | -112.6 | 124 | 173.9 | 36.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 804 | T | 29.7 | Very low | 28.3 | Very low | 115.5 Ų | 115.5 | 116.2 Ų | 116.2 | 71% | 0.709 | 69% | 0.693 | S | S | * | * | trans | 177.5 | 144.7 | 144.6 | 47.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 805 | N | 29.7 | Very low | 29 | Very low | 124.75 Ų | 124.75 | 114.4 Ų | 114.4 | 67% | 0.667 | 69% | 0.686 | S | S | * | * | trans | 1.4 | 119.2 | 168.4 | -62.9 | -8.9 | 0 | 0 | 0 | 117.1 | T807 H1682 | N805-T807 PolarHBondContact O-N 2.69Å; N805-H1682 WeakPolarHBondContact CB-NE2 3.13Å | ||
| 806 | T | 29.7 | Very low | 30.3 | Very low | 122.75 Ų | 122.75 | 110.8 Ų | 110.8 | 75% | 0.753 | 66% | 0.661 | S | S | * | * | trans | -132.9 | 126.1 | 162.1 | 23.1 | 0 | 0 | 0 | 0 | 112.5 | A808 L1727 | T806-A808 VanDerWaalsContact C-N 3.27Å; T806-A808 PolarHBondContact O-N 3.38Å; T806-L1727 HydrophobicContact CG2-CD2 4.37Å | ||
| 807 | T | 28.6 | Very low | 31.8 | Very low | 109.5 Ų | 109.5 | 113.3 Ų | 113.3 | 67% | 0.672 | 66% | 0.662 | S | S | * | * | trans | -53 | 113.1 | 166.5 | 47 | 0 | 0 | 0 | 0 | 115.3 | N805 T809 W1726 L1727 | N805-T807 PolarHBondContact O-N 2.69Å; T807-T809 PolarHBondContact O-N 3.16Å; T807-W1726 WeakPolarHBondContact CG2-O 3.33Å; T807-L1727 HydrophobicContact CG2-CD2 3.92Å; T807-L1727 HydrophobicContact CG2-CG 3.92Å; T807-L1727 WeakPolarHBondContact OG1-CD2 3.46Å; T807-L1727 WeakPolarHBondContact OG1-CG 3.46Å | ||
| 808 | A | 29.1 | Very low | 33.7 | Very low | 66 Ų | 66 | 107.8 Ų | 107.8 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | trans | -99.6 | 113.4 | 160 | 0 | 0 | 0 | 0 | 0 | 113.1 | T806 M810 L1679 V1708 V1722 W1726 | T806-A808 VanDerWaalsContact C-N 3.27Å; T806-A808 PolarHBondContact O-N 3.38Å; A808-M810 VanDerWaalsContact C-N 3.28Å; A808-M810 HydrophobicContact CB-CE 4.36Å; A808-M810 PolarHBondContact O-N 3.15Å; A808-L1679 HydrophobicContact CB-CD1 4.41Å; A808-V1708 WeakPolarHBondContact O-CG1 3.05Å; A808-V1722 HydrophobicContact CB-CG1 3.37Å; A808-W1726 HydrophobicContact CB-CB 4.34Å; A808-W1726 VanDerWaalsContact O-CZ3 3.3Å; A808-W1726 WeakPolarHBondContact O-CZ3 3.14Å | ||
| 809 | T | 27.3 | Very low | 35.7 | Very low | 92.5 Ų | 92.5 | 104.6 Ų | 104.6 | 57% | 0.567 | 61% | 0.61 | S | S | * | * | trans | -81.4 | 128.2 | 177.4 | 28.5 | 0 | 0 | 0 | 0 | 112.7 | T807 T811 T1712 W1726 | T807-T809 PolarHBondContact O-N 3.16Å; T809-T811 PolarHBondContact O-N 3.35Å; T809-T811 PolarHBondContact O-OG1 3.16Å; T809-T1712 WeakPolarHBondContact O-CG2 3.37Å; T809-W1726 VanDerWaalsContact CG2-CD1 3.47Å; T809-W1726 HydrophobicContact CG2-CG 4.23Å; T809-W1726 HydrophobicContact CG2-CZ2 4.47Å; T809-W1726 VanDerWaalsContact OG1-CB 3.26Å; T809-W1726 WeakPolarHBondContact OG1-CB 3.36Å; T809-W1726 PolarHBondContact OG1-NE1 3.31Å | ||
| 810 | M | 24.9 | Very low | 37.7 | Very low | 135.25 Ų | 135.25 | 100.7 Ų | 100.7 | 67% | 0.666 | 59% | 0.585 | S | S | * | * | trans | -79.8 | 104.7 | 163.2 | -71.4 | -87.1 | 89.6 | 0 | 0 | 114.3 | A808 T812 L1711 T1712 S1715 I1717 | A808-M810 VanDerWaalsContact C-N 3.28Å; A808-M810 HydrophobicContact CB-CE 4.36Å; A808-M810 PolarHBondContact O-N 3.15Å; M810-T812 PolarHBondContact O-N 3.08Å; M810-L1711 VanDerWaalsContact C-CB 3.47Å; M810-L1711 CarbonylContact O-C 3.57Å; M810-L1711 VanDerWaalsContact O-CA 3.23Å; M810-L1711 WeakPolarHBondContact O-CA 3.44Å; M810-L1711 WeakPolarHBondContact O-CB 3.48Å; M810-T1712 PolarHBondContact O-N 2.65Å; M810-S1715 PolarHBondContact O-OG 2.76Å; M810-I1717 HydrophobicContact CB-CB 4.45Å; M810-I1717 HydrophobicContact CB-CD1 3.75Å; M810-I1717 HydrophobicContact CB-CG1 4.22Å; M810-I1717 HydrophobicContact CG-CB 4.36Å; M810-I1717 HydrophobicContact CG-CD1 4.21Å; M810-I1717 HydrophobicContact CG-CG1 4.16Å; M810-I1717 HydrophobicContact CG-CG2 4.17Å; M810-I1717 HydrophobicContact SD-CB 4.36Å; M810-I1717 HydrophobicContact SD-CD1 3.97Å; M810-I1717 HydrophobicContact SD-CG1 3.66Å; M810-I1717 HydrophobicContact SD-CG2 4.06Å | ||
| 811 | T | 27.1 | Very low | 39.9 | Very low | 106.25 Ų | 106.25 | 94.3 Ų | 94.3 | 65% | 0.652 | 55% | 0.552 | S | S | * | * | trans | -74.2 | 111.4 | 158.7 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | T809 S813 L1711 S1715 | T809-T811 PolarHBondContact O-N 3.35Å; T809-T811 PolarHBondContact O-OG1 3.16Å; T811-S813 PolarHBondContact O-N 3.06Å; T811-S813 VanDerWaalsContact O-N 3.15Å; T811-L1711 VanDerWaalsContact CA-CD2 3.42Å; T811-S1715 WeakPolarHBondContact O-CB 3.41Å; T811-S1715 PolarHBondContact O-OG 3.34Å; T811-S1715 VanDerWaalsContact OG1-CB 3.3Å; T811-S1715 WeakPolarHBondContact OG1-CB 2.61Å; T811-S1715 PolarHBondContact OG1-OG 2.96Å | ||
| 812 | T | 28.4 | Very low | 42.2 | Very low | 106.5 Ų | 106.5 | 92.8 Ų | 92.8 | 65% | 0.653 | 54% | 0.544 | S | S | * | . | trans | -94.6 | 109.6 | 158 | 51.6 | 0 | 0 | 0 | 0 | 110 | M810 T814 K858 V1714 | M810-T812 PolarHBondContact O-N 3.08Å; T812-T814 VanDerWaalsContact C-N 3.27Å; T812-T814 PolarHBondContact O-N 3.19Å; T812-T814 PolarHBondContact O-OG1 3.5Å; T812-T814 VanDerWaalsContact O-OG1 3.11Å; T812-K858 PolarHBondContact O-NZ 2.94Å; T812-V1714 HydrophobicContact CG2-CG1 3.79Å; T812-V1714 VanDerWaalsContact CG2-O 3.26Å; T812-V1714 WeakPolarHBondContact CG2-O 3.27Å; T812-V1714 WeakPolarHBondContact OG1-CG1 3.2Å | ||
| 813 | S | 29.3 | Very low | 44.7 | Very low | 94.25 Ų | 94.25 | 87.5 Ų | 87.5 | 66% | 0.659 | 51% | 0.511 | S | S | * | . | trans | -93.3 | 91.7 | 171.7 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | T811 S815 K858 | T811-S813 PolarHBondContact O-N 3.06Å; T811-S813 VanDerWaalsContact O-N 3.15Å; S813-S815 PolarHBondContact O-N 3.04Å; S813-S815 VanDerWaalsContact O-N 3.08Å; S813-K858 PolarHBondContact O-NZ 3.18Å; S813-K858 WeakPolarHBondContact OG-CE 3.32Å; S813-K858 PolarHBondContact OG-NZ 3.15Å | ||
| 814 | T | 33.3 | Very low | 47.3 | Very low | 99.5 Ų | 99.5 | 81.9 Ų | 81.9 | 61% | 0.61 | 48% | 0.476 | S | S | * | . | trans | -79.3 | 106.8 | 169.5 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | T812 I816 K858 | T812-T814 VanDerWaalsContact C-N 3.27Å; T812-T814 PolarHBondContact O-N 3.19Å; T812-T814 PolarHBondContact O-OG1 3.5Å; T812-T814 VanDerWaalsContact O-OG1 3.11Å; T814-I816 PolarHBondContact O-N 3.11Å; T814-I816 VanDerWaalsContact O-N 3.13Å; T814-K858 PolarHBondContact O-NZ 3.07Å; T814-K858 PolarHBondContact OG1-NZ 2.71Å; T814-K858 VanDerWaalsContact OG1-NZ 3.07Å | ||
| 815 | S | 39.9 | Very low | 49.9 | Very low | 79.25 Ų | 79.25 | 76.4 Ų | 76.4 | 55% | 0.554 | 44% | 0.443 | S | S | * | . | trans | -76.9 | 125.9 | 169.9 | 54.2 | 0 | 0 | 0 | 0 | 109.3 | S813 K817 | S813-S815 PolarHBondContact O-N 3.04Å; S813-S815 VanDerWaalsContact O-N 3.08Å; S815-K817 PolarHBondContact O-N 3.12Å; S815-K817 VanDerWaalsContact O-N 3.16Å | ||
| 816 | I | 52 | Low | 52.5 | Low | 48 Ų | 48 | 73 Ų | 73 | 25% | 0.246 | 43% | 0.425 | C | S | . | . | trans | -79.5 | 94.2 | -174 | -61.8 | 170.1 | 0 | 0 | 0 | 109.2 | I738 T814 L818 F850 I854 L862 | I738-I816 HydrophobicContact CD1-CB 4.22Å; I738-I816 HydrophobicContact CD1-CG1 3.9Å; I738-I816 HydrophobicContact CD1-CG2 4.09Å; I738-I816 HydrophobicContact CG2-CG2 4.25Å; T814-I816 PolarHBondContact O-N 3.11Å; T814-I816 VanDerWaalsContact O-N 3.13Å; I816-L818 HydrophobicContact CG2-CD1 4.46Å; I816-L818 HydrophobicContact CG2-CD2 4.23Å; I816-L818 HydrophobicContact CG2-CG 4.16Å; I816-L818 PolarHBondContact O-N 3.38Å; I816-F850 HydrophobicContact CD1-CD1 4.12Å; I816-F850 HydrophobicContact CD1-CE1 3.93Å; I816-F850 HydrophobicContact CD1-CZ 4.31Å; I816-I854 HydrophobicContact CD1-CD1 4.33Å; I816-L862 HydrophobicContact CB-CD2 4.08Å; I816-L862 HydrophobicContact CD1-CD1 3.83Å; I816-L862 HydrophobicContact CD1-CD2 4.06Å; I816-L862 HydrophobicContact CD1-CG 4.18Å; I816-L862 HydrophobicContact CG1-CD2 4.45Å; I816-L862 HydrophobicContact CG2-CD2 3.73Å | ||
| 817 | K | 58.4 | Low | 55.2 | Low | 167.75 Ų | 167.75 | 67.2 Ų | 67.2 | 73% | 0.729 | 39% | 0.389 | S | S | * | . | trans | -91.3 | 81.4 | 178.1 | -115.7 | 179.7 | -177.7 | 179.2 | 0 | 109.9 | S815 I819 | S815-K817 PolarHBondContact O-N 3.12Å; S815-K817 VanDerWaalsContact O-N 3.16Å; K817-I819 PolarHBondContact O-N 3.15Å; K817-I819 VanDerWaalsContact O-N 3.15Å | ||
| 818 | L | 66 | Low | 57.8 | Low | 27.5 Ų | 27.5 | 62 Ų | 62 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | trans | -59.4 | 127.5 | 171.8 | -70.5 | 177.4 | 0 | 0 | 0 | 110.2 | F728 N732 I816 N820 L821 L846 Y847 | F728-L818 HydrophobicContact CE1-CD2 4.19Å; F728-L818 HydrophobicContact CZ-CB 4.28Å; F728-L818 HydrophobicContact CZ-CD1 4.38Å; F728-L818 HydrophobicContact CZ-CD2 4.3Å; N732-L818 HydrophobicContact CB-CD2 4.33Å; I816-L818 HydrophobicContact CG2-CD1 4.46Å; I816-L818 HydrophobicContact CG2-CD2 4.23Å; I816-L818 HydrophobicContact CG2-CG 4.16Å; I816-L818 PolarHBondContact O-N 3.38Å; L818-N820 PolarHBondContact O-N 2.95Å; L818-L821 HydrophobicContact CB-CD1 4.19Å; L818-L821 HydrophobicContact CB-CD2 4.2Å; L818-L821 HydrophobicContact CB-CG 4.08Å; L818-L821 HydrophobicContact CD1-CD1 4Å; L818-L821 HydrophobicContact CD1-CD2 4.29Å; L818-L846 HydrophobicContact CD1-CB 4.36Å; L818-L846 HydrophobicContact CD1-CD1 4.48Å; L818-L846 HydrophobicContact CD1-CD2 4.35Å; L818-Y847 HydrophobicContact CD1-CD2 4.38Å; L818-Y847 HydrophobicContact CD1-CE2 3.9Å | ||
| 819 | I | 68.1 | Low | 60.4 | Low | 54.75 Ų | 54.75 | 59.1 Ų | 59.1 | 28% | 0.281 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 132.6 | -171.4 | -51.9 | 178.9 | 0 | 0 | 0 | 109.7 | W705 F728 I731 N732 N735 K817 L821 | W705-I819 HydrophobicContact CH2-CB 4.18Å; W705-I819 HydrophobicContact CH2-CG2 3.76Å; W705-I819 VanDerWaalsContact CH2-CG2 3.49Å; W705-I819 HydrophobicContact CZ2-CB 4.22Å; W705-I819 HydrophobicContact CZ2-CG2 3.47Å; W705-I819 VanDerWaalsContact CZ2-CG2 3.45Å; F728-I819 VanDerWaalsContact CE2-O 3.32Å; F728-I819 WeakPolarHBondContact CE2-O 3.39Å; I731-I819 HydrophobicContact CG2-CB 4.49Å; I731-I819 HydrophobicContact CG2-CD1 4.43Å; I731-I819 HydrophobicContact CG2-CG2 4.37Å; N732-I819 PolarHBondContact OD1-N 3.19Å; N732-I819 VanDerWaalsContact OD1-N 3.13Å; N735-I819 HydrophobicContact CB-CD1 3.53Å; N735-I819 VanDerWaalsContact CG-CD1 3.43Å; N735-I819 WeakPolarHBondContact ND2-CD1 3.47Å; K817-I819 PolarHBondContact O-N 3.15Å; K817-I819 VanDerWaalsContact O-N 3.15Å; I819-L821 VanDerWaalsContact C-N 3.32Å; I819-L821 PolarHBondContact O-N 3.05Å |
| 820 | N | 69.3 | Low | 63.1 | Low | 38.75 Ų | 38.75 | 58.7 Ų | 58.7 | 21% | 0.207 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 38.4 | 178.7 | -152.8 | -0.7 | 0 | 0 | 0 | 115.7 | W705 Y708 S709 L818 N822 Q823 L824 | W705-N820 HydrophobicContact CH2-CB 3.22Å; W705-N820 HydrophobicContact CZ2-CB 3.42Å; W705-N820 VanDerWaalsContact CZ2-CB 3.44Å; W705-N820 HydrophobicContact CZ3-CB 4.12Å; Y708-N820 WeakPolarHBondContact CE1-ND2 3.49Å; S709-N820 PolarHBondContact OG-ND2 3.2Å; L818-N820 PolarHBondContact O-N 2.95Å; N820-N822 PolarHBondContact O-N 3.01Å; N820-N822 VanDerWaalsContact O-N 3.12Å; N820-Q823 PolarHBondContact O-N 3.22Å; N820-Q823 VanDerWaalsContact O-N 3.08Å; N820-Q823 VanDerWaalsContact OD1-CB 3.29Å; N820-Q823 WeakPolarHBondContact OD1-CB 3.35Å; N820-Q823 PolarHBondContact OD1-N 3.17Å; N820-Q823 VanDerWaalsContact OD1-N 3.16Å; N820-L824 PolarHBondContact O-N 3.08Å |
| 821 | L | 76.9 | Confident | 66 | Low | 20 Ų | 20 | 52.5 Ų | 52.5 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.2 | -31.6 | 166.1 | -143.9 | 106.5 | 0 | 0 | 0 | 111.9 | F728 L818 I819 Q823 L824 W825 L843 Y847 L869 | F728-L821 HydrophobicContact CE2-CD2 4.24Å; F728-L821 HydrophobicContact CZ-CD2 3.97Å; L818-L821 HydrophobicContact CB-CD1 4.19Å; L818-L821 HydrophobicContact CB-CD2 4.2Å; L818-L821 HydrophobicContact CB-CG 4.08Å; L818-L821 HydrophobicContact CD1-CD1 4Å; L818-L821 HydrophobicContact CD1-CD2 4.29Å; I819-L821 VanDerWaalsContact C-N 3.32Å; I819-L821 PolarHBondContact O-N 3.05Å; L821-Q823 VanDerWaalsContact C-N 3.32Å; L821-Q823 PolarHBondContact O-N 3.15Å; L821-L824 HydrophobicContact CD1-CD1 4.42Å; L821-L824 HydrophobicContact CD2-CD1 4.37Å; L821-L824 CarbonylContact O-C 3.51Å; L821-L824 WeakPolarHBondContact O-CA 2.97Å; L821-L824 VanDerWaalsContact O-CB 3.29Å; L821-L824 WeakPolarHBondContact O-CB 3.35Å; L821-L824 PolarHBondContact O-N 3.26Å; L821-L824 VanDerWaalsContact O-N 3.15Å; L821-W825 PolarHBondContact O-N 3.31Å; L821-L843 HydrophobicContact CD1-CD1 4.01Å; L821-Y847 HydrophobicContact CD1-CE2 4.17Å; L821-Y847 WeakPolarHBondContact CD1-OH 3.35Å; L821-Y847 WeakPolarHBondContact CD2-OH 3.35Å; L821-L869 HydrophobicContact CD2-CD1 3.66Å; L821-L869 VanDerWaalsContact CD2-CD1 3.48Å |
| 822 | N | 81.2 | Confident | 68.7 | Low | 101.25 Ų | 101.25 | 51.1 Ų | 51.1 | 54% | 0.541 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.7 | -41.8 | 177.9 | -67.4 | -6.2 | 0 | 0 | 0 | 112.9 | N820 L824 W825 N826 | N820-N822 PolarHBondContact O-N 3.01Å; N820-N822 VanDerWaalsContact O-N 3.12Å; N822-L824 VanDerWaalsContact C-N 3.34Å; N822-W825 WeakPolarHBondContact O-CB 3.27Å; N822-W825 PolarHBondContact O-N 3.05Å; N822-N826 VanDerWaalsContact O-CG 3.28Å; N822-N826 PolarHBondContact O-N 3.46Å |
| 823 | Q | 81.7 | Confident | 71.4 | Confident | 8.75 Ų | 8.75 | 53 Ų | 53 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.5 | -32.3 | 178.8 | -173.5 | 65.8 | -23.7 | 0 | 0 | 111.9 | Y708 S709 I711 N820 L821 W825 N826 F827 | Y708-Q823 HydrophobicContact CD1-CG 4.39Å; Y708-Q823 HydrophobicContact CE1-CB 3.96Å; Y708-Q823 HydrophobicContact CE1-CG 3.76Å; Y708-Q823 HydrophobicContact CE2-CG 4.09Å; Y708-Q823 PolarHBondContact O-NE2 3.07Å; S709-Q823 PolarHBondContact O-NE2 3.19Å; I711-Q823 PolarHBondContact O-NE2 3.06Å; N820-Q823 PolarHBondContact O-N 3.22Å; N820-Q823 VanDerWaalsContact O-N 3.08Å; N820-Q823 VanDerWaalsContact OD1-CB 3.29Å; N820-Q823 WeakPolarHBondContact OD1-CB 3.35Å; N820-Q823 PolarHBondContact OD1-N 3.17Å; N820-Q823 VanDerWaalsContact OD1-N 3.16Å; L821-Q823 VanDerWaalsContact C-N 3.32Å; L821-Q823 PolarHBondContact O-N 3.15Å; Q823-W825 VanDerWaalsContact C-N 3.32Å; Q823-W825 PolarHBondContact O-N 2.99Å; Q823-N826 WeakPolarHBondContact O-CB 3.32Å; Q823-N826 PolarHBondContact O-N 3.03Å; Q823-N826 VanDerWaalsContact O-N 3.16Å; Q823-N826 PolarHBondContact OE1-ND2 3.17Å; Q823-F827 HydrophobicContact CG-CD2 4.39Å; Q823-F827 HydrophobicContact CG-CE2 3.74Å; Q823-F827 HydrophobicContact CG-CZ 3.83Å; Q823-F827 WeakPolarHBondContact O-CD2 3.26Å; Q823-F827 WeakPolarHBondContact O-CE2 3.34Å; Q823-F827 PolarHBondContact O-N 2.97Å; Q823-F827 VanDerWaalsContact O-N 3.07Å |
| 824 | L | 83.1 | Confident | 73.9 | Confident | 0.5 Ų | 0.5 | 52.6 Ų | 52.6 | 0% | 0.003 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 169 | -84.8 | 163.1 | 0 | 0 | 0 | 111.6 | V724 F728 N820 L821 N822 N826 F827 I828 I839 L842 L843 L846 | V724-L824 HydrophobicContact CG1-CD2 3.62Å; F728-L824 HydrophobicContact CD1-CD1 4.39Å; F728-L824 HydrophobicContact CD2-CD1 3.68Å; F728-L824 HydrophobicContact CD2-CD2 4.39Å; F728-L824 HydrophobicContact CD2-CG 4.12Å; F728-L824 HydrophobicContact CE1-CD1 4.3Å; F728-L824 HydrophobicContact CE2-CD1 3.5Å; F728-L824 VanDerWaalsContact CE2-CD1 3.48Å; F728-L824 HydrophobicContact CE2-CG 4.2Å; F728-L824 HydrophobicContact CG-CD1 4.14Å; F728-L824 HydrophobicContact CZ-CD1 3.83Å; N820-L824 PolarHBondContact O-N 3.08Å; L821-L824 HydrophobicContact CD1-CD1 4.42Å; L821-L824 HydrophobicContact CD2-CD1 4.37Å; L821-L824 CarbonylContact O-C 3.51Å; L821-L824 WeakPolarHBondContact O-CA 2.97Å; L821-L824 VanDerWaalsContact O-CB 3.29Å; L821-L824 WeakPolarHBondContact O-CB 3.35Å; L821-L824 PolarHBondContact O-N 3.26Å; L821-L824 VanDerWaalsContact O-N 3.15Å; N822-L824 VanDerWaalsContact C-N 3.34Å; L824-N826 VanDerWaalsContact C-N 3.35Å; L824-F827 HydrophobicContact CD2-CD2 4.43Å; L824-F827 PolarHBondContact O-N 3.19Å; L824-I828 WeakPolarHBondContact O-CG1 3.36Å; L824-I828 PolarHBondContact O-N 2.98Å; L824-I828 VanDerWaalsContact O-N 3.15Å; L824-I839 HydrophobicContact CB-CG2 4.38Å; L824-I839 HydrophobicContact CD1-CD1 4.37Å; L824-I839 HydrophobicContact CD1-CG1 4.29Å; L824-I839 HydrophobicContact CD1-CG2 3.54Å; L824-I839 HydrophobicContact CD2-CG2 4.2Å; L824-I839 HydrophobicContact CG-CG2 3.71Å; L824-L842 HydrophobicContact CD1-CD2 4.32Å; L824-L842 HydrophobicContact CD2-CD2 4.32Å; L824-L843 HydrophobicContact CD2-CB 4.45Å; L824-L843 HydrophobicContact CD2-CD1 4.22Å; L824-L846 HydrophobicContact CD1-CD1 4.31Å; L824-L846 HydrophobicContact CD2-CD1 3.95Å |
| 825 | W | 84.6 | Confident | 76.3 | Confident | 0.25 Ų | 0.25 | 48 Ų | 48 | 0% | 0.001 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 172.1 | -76.4 | 109.1 | 0 | 0 | 0 | 112.5 | L821 N822 Q823 F827 I828 L829 L843 I866 L869 C870 Y873 I923 L926 | L821-W825 PolarHBondContact O-N 3.31Å; N822-W825 WeakPolarHBondContact O-CB 3.27Å; N822-W825 PolarHBondContact O-N 3.05Å; Q823-W825 VanDerWaalsContact C-N 3.32Å; Q823-W825 PolarHBondContact O-N 2.99Å; W825-F827 VanDerWaalsContact C-N 3.29Å; W825-F827 PolarHBondContact O-N 3.27Å; W825-I828 HydrophobicContact CD2-CD1 4.5Å; W825-I828 HydrophobicContact CE3-CB 4.49Å; W825-I828 HydrophobicContact CE3-CD1 4.23Å; W825-I828 HydrophobicContact CE3-CG2 4.4Å; W825-I828 HydrophobicContact CZ3-CD1 4.43Å; W825-I828 HydrophobicContact CZ3-CG2 4.34Å; W825-I828 PolarHBondContact O-N 2.95Å; W825-I828 VanDerWaalsContact O-N 3.13Å; W825-L829 WeakPolarHBondContact O-CB 3.07Å; W825-L829 VanDerWaalsContact O-CG 3.29Å; W825-L829 WeakPolarHBondContact O-CG 3.33Å; W825-L829 PolarHBondContact O-N 3.04Å; W825-L843 HydrophobicContact CH2-CD2 4.12Å; W825-L843 HydrophobicContact CZ2-CD2 3.94Å; W825-L843 HydrophobicContact CZ3-CD2 4.31Å; W825-I866 HydrophobicContact CH2-CG1 4.4Å; W825-I866 HydrophobicContact CZ2-CD1 3.91Å; W825-I866 HydrophobicContact CZ2-CG1 4.31Å; W825-L869 HydrophobicContact CH2-CB 4.41Å; W825-L869 HydrophobicContact CZ2-CB 4Å; W825-L869 HydrophobicContact CZ2-CD1 4.3Å; W825-C870 VanDerWaalsContact CH2-SG 3.55Å; W825-Y873 HydrophobicContact CB-CE1 4.39Å; W825-Y873 HydrophobicContact CB-CE2 3.95Å; W825-Y873 WeakPolarHBondContact CB-OH 3.31Å; W825-Y873 AromaticContact CD1-CE2 3.8Å; W825-Y873 AromaticContact CD2-CD2 3.84Å; W825-Y873 HydrophobicContact CD2-CD2 3.88Å; W825-Y873 AromaticContact CD2-CE2 3.4Å; W825-Y873 HydrophobicContact CD2-CE2 3.4Å; W825-Y873 VanDerWaalsContact CD2-CE2 3.42Å; W825-Y873 AromaticContact CD2-CZ 3.99Å; W825-Y873 AromaticContact CE2-CE2 3.78Å; W825-Y873 AromaticContact CE3-CD2 3.77Å; W825-Y873 HydrophobicContact CE3-CD2 3.77Å; W825-Y873 AromaticContact CE3-CE2 3.78Å; W825-Y873 HydrophobicContact CE3-CE2 3.78Å; W825-Y873 HydrophobicContact CE3-CG 4.48Å; W825-Y873 HydrophobicContact CG-CD2 4.26Å; W825-Y873 AromaticContact CG-CE2 3.46Å; W825-Y873 HydrophobicContact CG-CE2 3.46Å; W825-Y873 VanDerWaalsContact CG-CE2 3.47Å; W825-Y873 AromaticContact CG-CZ 3.74Å; W825-Y873 HydrophobicContact CH2-CD2 4.37Å; W825-Y873 HydrophobicContact CH2-CE2 4.35Å; W825-Y873 HydrophobicContact CZ2-CE2 4.31Å; W825-Y873 AromaticContact CZ3-CD2 3.88Å; W825-Y873 HydrophobicContact CZ3-CD2 4.1Å; W825-Y873 HydrophobicContact CZ3-CE2 4.34Å; W825-Y873 AromaticContact NE1-CE2 3.94Å; W825-I923 HydrophobicContact CZ3-CG2 4.33Å; W825-L926 HydrophobicContact CE3-CD2 4.42Å; W825-L926 HydrophobicContact CH2-CD2 3.42Å; W825-L926 HydrophobicContact CZ2-CD2 4.4Å; W825-L926 HydrophobicContact CZ3-CD2 3.51Å |
| 826 | N | 84.5 | Confident | 78.5 | Confident | 54.5 Ų | 54.5 | 44.9 Ų | 44.9 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59 | -40.2 | 174.3 | -71.6 | -23.3 | 0 | 0 | 0 | 111.9 | P713 N822 Q823 L824 L829 Y830 | P713-N826 HydrophobicContact CG-CB 4.17Å; N822-N826 VanDerWaalsContact O-CG 3.28Å; N822-N826 PolarHBondContact O-N 3.46Å; Q823-N826 WeakPolarHBondContact O-CB 3.32Å; Q823-N826 PolarHBondContact O-N 3.03Å; Q823-N826 VanDerWaalsContact O-N 3.16Å; Q823-N826 PolarHBondContact OE1-ND2 3.17Å; L824-N826 VanDerWaalsContact C-N 3.35Å; N826-L829 PolarHBondContact O-N 3.23Å; N826-Y830 HydrophobicContact CB-CD2 4.34Å; N826-Y830 WeakPolarHBondContact O-CB 3.16Å; N826-Y830 VanDerWaalsContact O-CD2 3.29Å; N826-Y830 WeakPolarHBondContact O-CD2 3.38Å; N826-Y830 PolarHBondContact O-N 3.21Å |
| 827 | F | 84.5 | Confident | 80 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 172.4 | -62.9 | -56.1 | 0 | 0 | 0 | 111.9 | Y708 I711 P713 M716 V724 Q823 L824 W825 L829 Y830 S831 V835 I839 | Y708-F827 HydrophobicContact CD2-CE2 4.46Å; Y708-F827 AromaticContact CE2-CE2 3.66Å; Y708-F827 HydrophobicContact CE2-CE2 3.66Å; Y708-F827 HydrophobicContact CE2-CZ 4.05Å; Y708-F827 AromaticContact CZ-CE2 3.96Å; I711-F827 HydrophobicContact CB-CE1 4.33Å; I711-F827 HydrophobicContact CB-CZ 4.36Å; I711-F827 HydrophobicContact CD1-CZ 4.47Å; I711-F827 HydrophobicContact CG2-CE1 4.09Å; I711-F827 HydrophobicContact CG2-CZ 4.38Å; P713-F827 HydrophobicContact CB-CD1 3.76Å; P713-F827 HydrophobicContact CB-CE1 4.25Å; P713-F827 HydrophobicContact CG-CD1 4.09Å; P713-F827 HydrophobicContact CG-CE1 4.27Å; M716-F827 HydrophobicContact CE-CD1 3.83Å; M716-F827 HydrophobicContact CE-CD2 4.41Å; M716-F827 HydrophobicContact CE-CE1 3.25Å; M716-F827 HydrophobicContact CE-CE2 4.11Å; M716-F827 HydrophobicContact CE-CG 4.3Å; M716-F827 HydrophobicContact CE-CZ 3.42Å; M716-F827 VanDerWaalsContact CE-CZ 3.45Å; M716-F827 HydrophobicContact CG-CD1 4.5Å; V724-F827 HydrophobicContact CG1-CD2 4.27Å; V724-F827 HydrophobicContact CG1-CE2 4.05Å; V724-F827 HydrophobicContact CG2-CD2 4.42Å; V724-F827 HydrophobicContact CG2-CE2 3.92Å; V724-F827 HydrophobicContact CG2-CZ 4.25Å; Q823-F827 HydrophobicContact CG-CD2 4.39Å; Q823-F827 HydrophobicContact CG-CE2 3.74Å; Q823-F827 HydrophobicContact CG-CZ 3.83Å; Q823-F827 WeakPolarHBondContact O-CD2 3.26Å; Q823-F827 WeakPolarHBondContact O-CE2 3.34Å; Q823-F827 PolarHBondContact O-N 2.97Å; Q823-F827 VanDerWaalsContact O-N 3.07Å; L824-F827 HydrophobicContact CD2-CD2 4.43Å; L824-F827 PolarHBondContact O-N 3.19Å; W825-F827 VanDerWaalsContact C-N 3.29Å; W825-F827 PolarHBondContact O-N 3.27Å; F827-L829 VanDerWaalsContact C-N 3.3Å; F827-L829 PolarHBondContact O-N 3.18Å; F827-Y830 PolarHBondContact O-N 3.17Å; F827-S831 WeakPolarHBondContact O-CB 3.2Å; F827-S831 PolarHBondContact O-N 3.07Å; F827-S831 VanDerWaalsContact O-N 3.08Å; F827-S831 PolarHBondContact O-OG 3.16Å; F827-V835 HydrophobicContact CB-CG1 4.4Å; F827-V835 HydrophobicContact CD1-CG1 4.01Å; F827-I839 HydrophobicContact CB-CD1 3.39Å; F827-I839 VanDerWaalsContact CB-CD1 3.45Å; F827-I839 HydrophobicContact CB-CG1 4.36Å; F827-I839 HydrophobicContact CB-CG2 4.43Å; F827-I839 HydrophobicContact CD1-CD1 4.23Å; F827-I839 HydrophobicContact CD2-CD1 3.89Å; F827-I839 HydrophobicContact CG-CD1 3.74Å |
| 828 | I | 83.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.9 | -45.9 | 177 | -69.2 | 169.4 | 0 | 0 | 0 | 111 | L824 W825 Y836 I839 L843 R922 L926 | L824-I828 WeakPolarHBondContact O-CG1 3.36Å; L824-I828 PolarHBondContact O-N 2.98Å; L824-I828 VanDerWaalsContact O-N 3.15Å; W825-I828 HydrophobicContact CD2-CD1 4.5Å; W825-I828 HydrophobicContact CE3-CB 4.49Å; W825-I828 HydrophobicContact CE3-CD1 4.23Å; W825-I828 HydrophobicContact CE3-CG2 4.4Å; W825-I828 HydrophobicContact CZ3-CD1 4.43Å; W825-I828 HydrophobicContact CZ3-CG2 4.34Å; W825-I828 PolarHBondContact O-N 2.95Å; W825-I828 VanDerWaalsContact O-N 3.13Å; I828-Y836 HydrophobicContact CB-CD2 4.48Å; I828-Y836 HydrophobicContact CG2-CD2 3.99Å; I828-Y836 HydrophobicContact CG2-CE2 4.06Å; I828-Y836 WeakPolarHBondContact O-CD2 3.42Å; I828-I839 HydrophobicContact CD1-CG2 4.1Å; I828-I839 HydrophobicContact CG1-CB 4.36Å; I828-I839 HydrophobicContact CG1-CG2 3.74Å; I828-L843 HydrophobicContact CD1-CB 4.36Å; I828-L843 HydrophobicContact CD1-CD2 3.5Å; I828-L843 VanDerWaalsContact CD1-CD2 3.43Å; I828-L843 HydrophobicContact CD1-CG 4.48Å; I828-R922 VanDerWaalsContact O-CD 3.23Å; I828-R922 WeakPolarHBondContact O-CD 3.25Å; I828-R922 PolarHBondContact O-NH1 3.18Å; I828-L926 HydrophobicContact CD1-CD2 4.29Å; I828-L926 HydrophobicContact CG2-CD2 4.22Å |
| 829 | L | 84 | Confident | 82.2 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.7 | -50.3 | -177.7 | -65.9 | 171.7 | 0 | 0 | 0 | 112.5 | W825 N826 F827 Y873 R919 R922 I923 | W825-L829 WeakPolarHBondContact O-CB 3.07Å; W825-L829 VanDerWaalsContact O-CG 3.29Å; W825-L829 WeakPolarHBondContact O-CG 3.33Å; W825-L829 PolarHBondContact O-N 3.04Å; N826-L829 PolarHBondContact O-N 3.23Å; F827-L829 VanDerWaalsContact C-N 3.3Å; F827-L829 PolarHBondContact O-N 3.18Å; L829-Y873 HydrophobicContact CD1-CD1 3.92Å; L829-Y873 HydrophobicContact CD1-CE1 4.09Å; L829-Y873 HydrophobicContact CD1-CG 4.35Å; L829-R919 HydrophobicContact CB-CG 4.36Å; L829-R919 HydrophobicContact CD2-CB 4.13Å; L829-R919 HydrophobicContact CD2-CG 4.22Å; L829-R922 PolarHBondContact O-NH1 3.13Å; L829-I923 HydrophobicContact CD2-CD1 3.73Å; L829-I923 HydrophobicContact CD2-CG1 3.74Å |
| 830 | Y | 84.5 | Confident | 82.9 | Confident | 84.5 Ų | 84.5 | 37.7 Ų | 37.7 | 33% | 0.331 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -108.9 | -10.2 | -162.2 | -58.9 | -70.3 | 0 | 0 | 0 | 115.9 | P713 N826 F827 R876 R919 | P713-Y830 VanDerWaalsContact CG-CB 3.5Å; P713-Y830 HydrophobicContact CG-CD2 4.41Å; P713-Y830 HydrophobicContact CG-CG 4.22Å; N826-Y830 HydrophobicContact CB-CD2 4.34Å; N826-Y830 WeakPolarHBondContact O-CB 3.16Å; N826-Y830 VanDerWaalsContact O-CD2 3.29Å; N826-Y830 WeakPolarHBondContact O-CD2 3.38Å; N826-Y830 PolarHBondContact O-N 3.21Å; F827-Y830 PolarHBondContact O-N 3.17Å; Y830-R876 PolarHBondContact OH-NH2 2.88Å; Y830-R876 VanDerWaalsContact OH-NH2 3.14Å; Y830-R919 VanDerWaalsContact CE1-CD 3.44Å; Y830-R919 PolarHBondContact OH-NH1 3.04Å; Y830-R919 VanDerWaalsContact OH-NH1 3.13Å |
| 831 | S | 85.1 | Confident | 83.5 | Confident | 5.5 Ų | 5.5 | 41.3 Ų | 41.3 | 4% | 0.038 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -78.2 | -178.1 | -174.7 | 74.5 | 0 | 0 | 0 | 0 | 114.9 | P713 F827 V835 Y836 R922 | P713-S831 VanDerWaalsContact O-CA 3.29Å; P713-S831 WeakPolarHBondContact O-CA 3.4Å; P713-S831 VanDerWaalsContact O-CB 3.28Å; P713-S831 WeakPolarHBondContact O-CB 3.35Å; F827-S831 WeakPolarHBondContact O-CB 3.2Å; F827-S831 PolarHBondContact O-N 3.07Å; F827-S831 VanDerWaalsContact O-N 3.08Å; F827-S831 PolarHBondContact O-OG 3.16Å; S831-V835 VanDerWaalsContact CB-CG1 3.48Å; S831-V835 WeakPolarHBondContact OG-CB 3.34Å; S831-V835 VanDerWaalsContact OG-CG1 3.29Å; S831-V835 WeakPolarHBondContact OG-CG1 3.3Å; S831-Y836 PolarHBondContact OG-N 3.16Å; S831-R922 VanDerWaalsContact O-CZ 3.23Å; S831-R922 PolarHBondContact O-NH1 3.2Å; S831-R922 PolarHBondContact O-NH2 3.11Å |
| 832 | N | 84.2 | Confident | 83.8 | Confident | 76.75 Ų | 76.75 | 40.8 Ų | 40.8 | 41% | 0.41 | 19% | 0.192 | S | C | . | . | trans | -69.5 | 168.7 | 169.1 | 94.9 | 8.1 | 0 | 0 | 0 | 112.9 | M716 I834 V835 Y836 R922 | M716-N832 PolarHBondContact O-ND2 3.28Å; N832-I834 VanDerWaalsContact C-N 3.31Å; N832-I834 PolarHBondContact O-N 3.24Å; N832-I834 WeakPolarHBondContact OD1-CB 3.42Å; N832-I834 PolarHBondContact OD1-N 3.26Å; N832-V835 HydrophobicContact CB-CG2 4.23Å; N832-V835 WeakPolarHBondContact ND2-CG2 3.36Å; N832-V835 WeakPolarHBondContact O-CB 3.23Å; N832-V835 PolarHBondContact O-N 3.15Å; N832-V835 WeakPolarHBondContact OD1-CB 3.46Å; N832-V835 WeakPolarHBondContact OD1-CG2 3.46Å; N832-V835 PolarHBondContact OD1-N 3.43Å; N832-Y836 WeakPolarHBondContact O-CB 3.28Å; N832-Y836 PolarHBondContact O-N 3.09Å; N832-Y836 VanDerWaalsContact O-N 3.12Å; N832-R922 VanDerWaalsContact C-NH2 3.35Å; N832-R922 PolarHBondContact O-NH2 2.79Å; N832-R922 VanDerWaalsContact O-NH2 3.08Å | ||
| 833 | K | 83.8 | Confident | 83.8 | Confident | 145.25 Ų | 145.25 | 36 Ų | 36 | 63% | 0.632 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -60.1 | -41.3 | -176.8 | -176.5 | -176.5 | 174.6 | -172.2 | 0 | 112.9 | V835 Y836 Q837 | K833-V835 VanDerWaalsContact C-N 3.35Å; K833-V835 PolarHBondContact O-N 3.18Å; K833-Y836 WeakPolarHBondContact O-CB 3.39Å; K833-Y836 PolarHBondContact O-N 3.39Å; K833-Q837 WeakPolarHBondContact O-CG 3.4Å; K833-Q837 PolarHBondContact O-N 3.02Å; K833-Q837 VanDerWaalsContact O-N 3.08Å; K833-Q837 PolarHBondContact O-OE1 2.84Å |
| 834 | I | 82.7 | Confident | 83.7 | Confident | 87.75 Ų | 87.75 | 36.9 Ų | 36.9 | 45% | 0.45 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.8 | -46.9 | -177.2 | -58.3 | 168.7 | 0 | 0 | 0 | 110.5 | N718 N832 Y836 Q837 K838 | N718-I834 WeakPolarHBondContact OD1-CG2 3.29Å; N832-I834 VanDerWaalsContact C-N 3.31Å; N832-I834 PolarHBondContact O-N 3.24Å; N832-I834 WeakPolarHBondContact OD1-CB 3.42Å; N832-I834 PolarHBondContact OD1-N 3.26Å; I834-Y836 VanDerWaalsContact C-N 3.33Å; I834-Y836 PolarHBondContact O-N 3.34Å; I834-Q837 PolarHBondContact O-N 3Å; I834-Q837 VanDerWaalsContact O-N 3.16Å; I834-K838 PolarHBondContact O-N 3.06Å; I834-K838 VanDerWaalsContact O-N 3.12Å |
| 835 | V | 84.4 | Confident | 83.2 | Confident | 1.25 Ų | 1.25 | 40 Ų | 40 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 177 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | M716 V721 F827 S831 N832 K833 Q837 K838 I839 | M716-V835 HydrophobicContact CB-CG1 4.08Å; M716-V835 HydrophobicContact CB-CG2 3.96Å; M716-V835 HydrophobicContact CG-CB 4.28Å; M716-V835 HydrophobicContact CG-CG1 3.54Å; M716-V835 HydrophobicContact CG-CG2 3.69Å; M716-V835 VanDerWaalsContact O-CG2 3.32Å; M716-V835 WeakPolarHBondContact O-CG2 3.32Å; V721-V835 HydrophobicContact CG2-CB 3.99Å; V721-V835 HydrophobicContact CG2-CG1 3.81Å; V721-V835 HydrophobicContact CG2-CG2 3.74Å; F827-V835 HydrophobicContact CB-CG1 4.4Å; F827-V835 HydrophobicContact CD1-CG1 4.01Å; S831-V835 VanDerWaalsContact CB-CG1 3.48Å; S831-V835 WeakPolarHBondContact OG-CB 3.34Å; S831-V835 VanDerWaalsContact OG-CG1 3.29Å; S831-V835 WeakPolarHBondContact OG-CG1 3.3Å; N832-V835 HydrophobicContact CB-CG2 4.23Å; N832-V835 WeakPolarHBondContact ND2-CG2 3.36Å; N832-V835 WeakPolarHBondContact O-CB 3.23Å; N832-V835 PolarHBondContact O-N 3.15Å; N832-V835 WeakPolarHBondContact OD1-CB 3.46Å; N832-V835 WeakPolarHBondContact OD1-CG2 3.46Å; N832-V835 PolarHBondContact OD1-N 3.43Å; K833-V835 VanDerWaalsContact C-N 3.35Å; K833-V835 PolarHBondContact O-N 3.18Å; V835-Q837 VanDerWaalsContact C-N 3.29Å; V835-Q837 PolarHBondContact O-N 3.12Å; V835-K838 PolarHBondContact O-N 3.39Å; V835-K838 VanDerWaalsContact O-N 3.15Å; V835-I839 HydrophobicContact CG1-CD1 3.71Å; V835-I839 HydrophobicContact CG1-CG1 4.25Å; V835-I839 WeakPolarHBondContact O-CB 3.26Å; V835-I839 WeakPolarHBondContact O-CG1 3.24Å; V835-I839 PolarHBondContact O-N 2.93Å |
| 836 | Y | 85 | Confident | 82.6 | Confident | 15.5 Ų | 15.5 | 40.5 Ų | 40.5 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.9 | -47 | 174.3 | 158.6 | -95.2 | 0 | 0 | 0 | 111.9 | I828 S831 N832 K833 I834 K838 I839 C840 R922 K925 L926 | I828-Y836 HydrophobicContact CB-CD2 4.48Å; I828-Y836 HydrophobicContact CG2-CD2 3.99Å; I828-Y836 HydrophobicContact CG2-CE2 4.06Å; I828-Y836 WeakPolarHBondContact O-CD2 3.42Å; S831-Y836 PolarHBondContact OG-N 3.16Å; N832-Y836 WeakPolarHBondContact O-CB 3.28Å; N832-Y836 PolarHBondContact O-N 3.09Å; N832-Y836 VanDerWaalsContact O-N 3.12Å; K833-Y836 WeakPolarHBondContact O-CB 3.39Å; K833-Y836 PolarHBondContact O-N 3.39Å; I834-Y836 VanDerWaalsContact C-N 3.33Å; I834-Y836 PolarHBondContact O-N 3.34Å; Y836-K838 PolarHBondContact O-N 2.91Å; Y836-I839 PolarHBondContact O-N 3.34Å; Y836-C840 VanDerWaalsContact CD2-SG 3.58Å; Y836-C840 HydrophobicContact CE2-CB 4.43Å; Y836-C840 WeakPolarHBondContact CE2-SG 3.34Å; Y836-C840 VanDerWaalsContact CZ-SG 3.53Å; Y836-C840 VanDerWaalsContact O-CB 3.25Å; Y836-C840 WeakPolarHBondContact O-CB 3.31Å; Y836-C840 PolarHBondContact O-N 3.05Å; Y836-C840 PolarHBondContact O-SG 3.08Å; Y836-C840 VanDerWaalsContact O-SG 3.39Å; Y836-R922 HydrophobicContact CD1-CG 4.37Å; Y836-R922 HydrophobicContact CD2-CB 3.98Å; Y836-R922 HydrophobicContact CD2-CG 3.75Å; Y836-R922 HydrophobicContact CE1-CG 4.23Å; Y836-R922 HydrophobicContact CE2-CB 3.53Å; Y836-R922 VanDerWaalsContact CE2-CB 3.45Å; Y836-R922 HydrophobicContact CE2-CG 3.63Å; Y836-R922 HydrophobicContact CG-CG 4.24Å; Y836-R922 PolarHBondContact OH-O 3.29Å; Y836-K925 VanDerWaalsContact OH-CB 3.27Å; Y836-K925 WeakPolarHBondContact OH-CB 3.35Å; Y836-L926 PolarHBondContact OH-N 3.33Å |
| 837 | Q | 84.4 | Confident | 81.9 | Confident | 68 Ų | 68 | 38.6 Ų | 38.6 | 32% | 0.318 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.7 | -44.4 | -179.2 | -77.4 | 173.3 | -43.5 | 0 | 0 | 112.5 | K833 I834 V835 I839 C840 K841 | K833-Q837 WeakPolarHBondContact O-CG 3.4Å; K833-Q837 PolarHBondContact O-N 3.02Å; K833-Q837 VanDerWaalsContact O-N 3.08Å; K833-Q837 PolarHBondContact O-OE1 2.84Å; I834-Q837 PolarHBondContact O-N 3Å; I834-Q837 VanDerWaalsContact O-N 3.16Å; V835-Q837 VanDerWaalsContact C-N 3.29Å; V835-Q837 PolarHBondContact O-N 3.12Å; Q837-I839 PolarHBondContact O-N 3.41Å; Q837-C840 PolarHBondContact O-N 3.19Å; Q837-K841 PolarHBondContact O-N 2.98Å |
| 838 | K | 83.6 | Confident | 81 | Confident | 78 Ų | 78 | 39.2 Ų | 39.2 | 34% | 0.339 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.9 | -45.8 | 178.4 | -76.2 | -174.8 | 167.9 | -176.9 | 0 | 112.4 | N718 V721 I834 V835 Y836 C840 K841 L842 | N718-K838 WeakPolarHBondContact OD1-CE 3.21Å; N718-K838 PolarHBondContact OD1-NZ 3.12Å; V721-K838 HydrophobicContact CB-CD 4.35Å; V721-K838 HydrophobicContact CG1-CB 3.73Å; V721-K838 HydrophobicContact CG1-CD 3.95Å; V721-K838 HydrophobicContact CG1-CG 4.41Å; V721-K838 HydrophobicContact CG2-CB 4.46Å; V721-K838 HydrophobicContact CG2-CD 4.42Å; I834-K838 PolarHBondContact O-N 3.06Å; I834-K838 VanDerWaalsContact O-N 3.12Å; V835-K838 PolarHBondContact O-N 3.39Å; V835-K838 VanDerWaalsContact O-N 3.15Å; Y836-K838 PolarHBondContact O-N 2.91Å; K838-C840 VanDerWaalsContact C-N 3.29Å; K838-C840 PolarHBondContact O-N 3.15Å; K838-K841 WeakPolarHBondContact O-CA 3.45Å; K838-K841 WeakPolarHBondContact O-CB 3.4Å; K838-K841 PolarHBondContact O-N 3.11Å; K838-L842 PolarHBondContact O-N 3.06Å |
| 839 | I | 85.7 | Confident | 79.9 | Confident | 0.25 Ų | 0.25 | 41.7 Ų | 41.7 | 0% | 0.001 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70 | -32.5 | -180 | -65.4 | -165 | 0 | 0 | 0 | 111.3 | V721 V724 L824 F827 I828 V835 Y836 Q837 K841 L842 L843 | V721-I839 HydrophobicContact CG1-CD1 4.07Å; V721-I839 HydrophobicContact CG1-CG1 4.08Å; V721-I839 HydrophobicContact CG2-CD1 4.35Å; V721-I839 HydrophobicContact CG2-CG1 4.41Å; V724-I839 HydrophobicContact CB-CD1 4.49Å; V724-I839 HydrophobicContact CG1-CD1 3.93Å; L824-I839 HydrophobicContact CB-CG2 4.38Å; L824-I839 HydrophobicContact CD1-CD1 4.37Å; L824-I839 HydrophobicContact CD1-CG1 4.29Å; L824-I839 HydrophobicContact CD1-CG2 3.54Å; L824-I839 HydrophobicContact CD2-CG2 4.2Å; L824-I839 HydrophobicContact CG-CG2 3.71Å; F827-I839 HydrophobicContact CB-CD1 3.39Å; F827-I839 VanDerWaalsContact CB-CD1 3.45Å; F827-I839 HydrophobicContact CB-CG1 4.36Å; F827-I839 HydrophobicContact CB-CG2 4.43Å; F827-I839 HydrophobicContact CD1-CD1 4.23Å; F827-I839 HydrophobicContact CD2-CD1 3.89Å; F827-I839 HydrophobicContact CG-CD1 3.74Å; I828-I839 HydrophobicContact CD1-CG2 4.1Å; I828-I839 HydrophobicContact CG1-CB 4.36Å; I828-I839 HydrophobicContact CG1-CG2 3.74Å; V835-I839 HydrophobicContact CG1-CD1 3.71Å; V835-I839 HydrophobicContact CG1-CG1 4.25Å; V835-I839 WeakPolarHBondContact O-CB 3.26Å; V835-I839 WeakPolarHBondContact O-CG1 3.24Å; V835-I839 PolarHBondContact O-N 2.93Å; Y836-I839 PolarHBondContact O-N 3.34Å; Q837-I839 PolarHBondContact O-N 3.41Å; I839-K841 VanDerWaalsContact C-N 3.3Å; I839-K841 PolarHBondContact O-N 3.08Å; I839-L842 HydrophobicContact CD1-CD2 4.39Å; I839-L842 WeakPolarHBondContact O-CB 3.47Å; I839-L842 PolarHBondContact O-N 3.27Å; I839-L843 VanDerWaalsContact O-CB 3.29Å; I839-L843 WeakPolarHBondContact O-CB 3.34Å; I839-L843 PolarHBondContact O-N 3.34Å |
| 840 | C | 84 | Confident | 78.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -30.2 | 168.9 | -73.2 | 0 | 0 | 0 | 0 | 112.9 | Y836 Q837 K838 L842 L843 L844 L926 | Y836-C840 VanDerWaalsContact CD2-SG 3.58Å; Y836-C840 HydrophobicContact CE2-CB 4.43Å; Y836-C840 WeakPolarHBondContact CE2-SG 3.34Å; Y836-C840 VanDerWaalsContact CZ-SG 3.53Å; Y836-C840 VanDerWaalsContact O-CB 3.25Å; Y836-C840 WeakPolarHBondContact O-CB 3.31Å; Y836-C840 PolarHBondContact O-N 3.05Å; Y836-C840 PolarHBondContact O-SG 3.08Å; Y836-C840 VanDerWaalsContact O-SG 3.39Å; Q837-C840 PolarHBondContact O-N 3.19Å; K838-C840 VanDerWaalsContact C-N 3.29Å; K838-C840 PolarHBondContact O-N 3.15Å; C840-L842 VanDerWaalsContact C-N 3.34Å; C840-L842 PolarHBondContact O-N 2.92Å; C840-L843 PolarHBondContact O-N 3.49Å; C840-L844 HydrophobicContact CB-CD1 4.5Å; C840-L844 WeakPolarHBondContact O-CB 3.4Å; C840-L844 VanDerWaalsContact O-CD1 3.3Å; C840-L844 WeakPolarHBondContact O-CD1 3.36Å; C840-L844 WeakPolarHBondContact O-CG 3.04Å; C840-L844 PolarHBondContact O-N 2.93Å; C840-L926 HydrophobicContact CB-CD1 4.1Å |
| 841 | K | 82.2 | Confident | 76.7 | Confident | 115 Ų | 115 | 40.5 Ų | 40.5 | 50% | 0.5 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.4 | -46.6 | 170.9 | -103.8 | -174.6 | 179.8 | 176.4 | 0 | 111.3 | Q837 K838 I839 L843 L844 Q845 D1224 E1272 | Q837-K841 PolarHBondContact O-N 2.98Å; K838-K841 WeakPolarHBondContact O-CA 3.45Å; K838-K841 WeakPolarHBondContact O-CB 3.4Å; K838-K841 PolarHBondContact O-N 3.11Å; I839-K841 VanDerWaalsContact C-N 3.3Å; I839-K841 PolarHBondContact O-N 3.08Å; K841-L843 VanDerWaalsContact C-N 3.33Å; K841-L843 PolarHBondContact O-N 3.2Å; K841-L844 WeakPolarHBondContact O-CB 3.35Å; K841-L844 PolarHBondContact O-N 2.89Å; K841-L844 VanDerWaalsContact O-N 3.1Å; K841-Q845 WeakPolarHBondContact O-CB 3.4Å; K841-Q845 VanDerWaalsContact O-CG 3.31Å; K841-Q845 WeakPolarHBondContact O-CG 3.27Å; K841-Q845 PolarHBondContact O-N 3.31Å; K841-Q845 PolarHBondContact O-OE1 3.3Å; K841-D1224 IonicContact NZ-OD2 2.72Å; K841-D1224 PolarHBondContact NZ-OD2 3.21Å; K841-E1272 WeakPolarHBondContact CD-OE1 3.37Å; K841-E1272 WeakPolarHBondContact CE-OE1 3.37Å; K841-E1272 WeakPolarHBondContact CE-OE2 3.36Å; K841-E1272 VanDerWaalsContact NZ-CG 3.34Å; K841-E1272 IonicContact NZ-OE1 3.19Å; K841-E1272 PolarHBondContact NZ-OE1 3.08Å; K841-E1272 IonicContact NZ-OE2 3.82Å |
| 842 | L | 81.6 | Confident | 75 | Confident | 8.5 Ų | 8.5 | 43.5 Ų | 43.5 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.4 | -50.4 | 174.6 | 176.7 | 67.5 | 0 | 0 | 0 | 111.1 | V725 I748 L824 K838 I839 C840 L844 Q845 L846 | V725-L842 HydrophobicContact CG1-CD1 4.24Å; V725-L842 HydrophobicContact CG2-CD1 4.34Å; V725-L842 HydrophobicContact CG2-CD2 4Å; V725-L842 HydrophobicContact CG2-CG 4.47Å; I748-L842 HydrophobicContact CD1-CD1 4.08Å; L824-L842 HydrophobicContact CD1-CD2 4.32Å; L824-L842 HydrophobicContact CD2-CD2 4.32Å; K838-L842 PolarHBondContact O-N 3.06Å; I839-L842 HydrophobicContact CD1-CD2 4.39Å; I839-L842 WeakPolarHBondContact O-CB 3.47Å; I839-L842 PolarHBondContact O-N 3.27Å; C840-L842 VanDerWaalsContact C-N 3.34Å; C840-L842 PolarHBondContact O-N 2.92Å; L842-L844 VanDerWaalsContact C-N 3.3Å; L842-L844 PolarHBondContact O-N 3.11Å; L842-Q845 PolarHBondContact O-N 3.22Å; L842-Q845 VanDerWaalsContact O-N 3.16Å; L842-L846 HydrophobicContact CD1-CD1 4.13Å; L842-L846 HydrophobicContact CD1-CD2 4.46Å; L842-L846 HydrophobicContact CD1-CG 4.19Å; L842-L846 HydrophobicContact CD2-CD1 4.43Å; L842-L846 HydrophobicContact CG-CD1 3.83Å; L842-L846 HydrophobicContact CG-CG 4.33Å; L842-L846 WeakPolarHBondContact O-CB 3.32Å; L842-L846 VanDerWaalsContact O-CG 3.29Å; L842-L846 WeakPolarHBondContact O-CG 3.35Å; L842-L846 PolarHBondContact O-N 3.16Å |
| 843 | L | 82.9 | Confident | 73.3 | Confident | 0.75 Ų | 0.75 | 45.6 Ų | 45.6 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -37 | -179.9 | -172.2 | 66.4 | 0 | 0 | 0 | 112.1 | L821 L824 W825 I828 I839 C840 K841 Q845 L846 Y847 I866 L926 F930 | L821-L843 HydrophobicContact CD1-CD1 4.01Å; L824-L843 HydrophobicContact CD2-CB 4.45Å; L824-L843 HydrophobicContact CD2-CD1 4.22Å; W825-L843 HydrophobicContact CH2-CD2 4.12Å; W825-L843 HydrophobicContact CZ2-CD2 3.94Å; W825-L843 HydrophobicContact CZ3-CD2 4.31Å; I828-L843 HydrophobicContact CD1-CB 4.36Å; I828-L843 HydrophobicContact CD1-CD2 3.5Å; I828-L843 VanDerWaalsContact CD1-CD2 3.43Å; I828-L843 HydrophobicContact CD1-CG 4.48Å; I839-L843 VanDerWaalsContact O-CB 3.29Å; I839-L843 WeakPolarHBondContact O-CB 3.34Å; I839-L843 PolarHBondContact O-N 3.34Å; C840-L843 PolarHBondContact O-N 3.49Å; K841-L843 VanDerWaalsContact C-N 3.33Å; K841-L843 PolarHBondContact O-N 3.2Å; L843-Q845 PolarHBondContact O-N 3.18Å; L843-L846 PolarHBondContact O-N 3.39Å; L843-Y847 HydrophobicContact CD1-CD2 3.89Å; L843-Y847 HydrophobicContact CD1-CE2 3.58Å; L843-Y847 VanDerWaalsContact CD1-CE2 3.42Å; L843-Y847 HydrophobicContact CG-CD2 4.35Å; L843-Y847 HydrophobicContact CG-CE2 4.17Å; L843-Y847 VanDerWaalsContact O-CD2 3.26Å; L843-Y847 WeakPolarHBondContact O-CD2 3.32Å; L843-Y847 PolarHBondContact O-N 3.05Å; L843-I866 HydrophobicContact CD1-CD1 3.98Å; L843-I866 HydrophobicContact CD2-CD1 4.24Å; L843-I866 HydrophobicContact CG-CD1 4.22Å; L843-L926 HydrophobicContact CB-CD1 4.39Å; L843-L926 HydrophobicContact CD2-CD1 4.17Å; L843-L926 HydrophobicContact CD2-CD2 3.74Å; L843-L926 VanDerWaalsContact CD2-CD2 3.49Å; L843-L926 HydrophobicContact CD2-CG 4.33Å; L843-L926 HydrophobicContact CG-CD1 4.28Å; L843-F930 HydrophobicContact CG-CE2 4.4Å; L843-F930 HydrophobicContact CG-CZ 4.36Å; L843-F930 WeakPolarHBondContact O-CZ 3.2Å |
| 844 | L | 78.6 | Confident | 71.8 | Confident | 26.75 Ų | 26.75 | 40 Ų | 40 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -52.9 | 171.8 | -130.2 | 93.1 | 0 | 0 | 0 | 110.6 | C840 K841 L842 L846 Y847 T848 L926 R929 F930 R933 | C840-L844 HydrophobicContact CB-CD1 4.5Å; C840-L844 WeakPolarHBondContact O-CB 3.4Å; C840-L844 VanDerWaalsContact O-CD1 3.3Å; C840-L844 WeakPolarHBondContact O-CD1 3.36Å; C840-L844 WeakPolarHBondContact O-CG 3.04Å; C840-L844 PolarHBondContact O-N 2.93Å; K841-L844 WeakPolarHBondContact O-CB 3.35Å; K841-L844 PolarHBondContact O-N 2.89Å; K841-L844 VanDerWaalsContact O-N 3.1Å; L842-L844 VanDerWaalsContact C-N 3.3Å; L842-L844 PolarHBondContact O-N 3.11Å; L844-L846 VanDerWaalsContact C-N 3.31Å; L844-L846 PolarHBondContact O-N 3.05Å; L844-Y847 CarbonylContact O-C 3.56Å; L844-Y847 PolarHBondContact O-N 2.99Å; L844-Y847 VanDerWaalsContact O-N 3.1Å; L844-T848 VanDerWaalsContact C-OG1 3.25Å; L844-T848 HydrophobicContact CD1-CG2 3.82Å; L844-T848 HydrophobicContact CG-CG2 4.28Å; L844-T848 WeakPolarHBondContact O-CB 3.42Å; L844-T848 VanDerWaalsContact O-CG2 3.3Å; L844-T848 WeakPolarHBondContact O-CG2 3.38Å; L844-T848 PolarHBondContact O-N 3.19Å; L844-T848 VanDerWaalsContact O-N 3.1Å; L844-T848 PolarHBondContact O-OG1 3.04Å; L844-T848 VanDerWaalsContact O-OG1 3.08Å; L844-L926 HydrophobicContact CD1-CD1 3.49Å; L844-L926 VanDerWaalsContact CD1-CD1 3.49Å; L844-L926 HydrophobicContact CD2-CD1 4.24Å; L844-L926 HydrophobicContact CG-CD1 4.15Å; L844-R929 HydrophobicContact CD1-CB 4.09Å; L844-R929 WeakPolarHBondContact CD1-O 3.18Å; L844-R929 HydrophobicContact CD2-CB 4.23Å; L844-F930 HydrophobicContact CB-CZ 4.48Å; L844-F930 VanDerWaalsContact CD1-CA 3.44Å; L844-F930 HydrophobicContact CD1-CB 4.49Å; L844-F930 HydrophobicContact CD1-CD1 3.7Å; L844-F930 HydrophobicContact CD1-CD2 4.13Å; L844-F930 HydrophobicContact CD1-CE1 3.58Å; L844-F930 HydrophobicContact CD1-CG 4.25Å; L844-F930 HydrophobicContact CD1-CZ 4.04Å; L844-F930 HydrophobicContact CD2-CB 3.81Å; L844-F930 HydrophobicContact CD2-CD2 4.04Å; L844-F930 HydrophobicContact CD2-CG 4.45Å; L844-R933 HydrophobicContact CD1-CB 3.87Å; L844-R933 HydrophobicContact CD2-CB 4.34Å |
| 845 | Q | 73.3 | Confident | 70.4 | Confident | 65.75 Ų | 65.75 | 40.5 Ų | 40.5 | 31% | 0.307 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.5 | -44 | 179.8 | -72.7 | 170.9 | -60.8 | 0 | 0 | 112.1 | F745 I748 K841 L842 L843 Y847 T848 N849 | F745-Q845 PolarHBondContact O-NE2 3.24Å; F745-Q845 VanDerWaalsContact O-NE2 3.17Å; I748-Q845 HydrophobicContact CD1-CB 4.19Å; K841-Q845 WeakPolarHBondContact O-CB 3.4Å; K841-Q845 VanDerWaalsContact O-CG 3.31Å; K841-Q845 WeakPolarHBondContact O-CG 3.27Å; K841-Q845 PolarHBondContact O-N 3.31Å; K841-Q845 PolarHBondContact O-OE1 3.3Å; L842-Q845 PolarHBondContact O-N 3.22Å; L842-Q845 VanDerWaalsContact O-N 3.16Å; L843-Q845 PolarHBondContact O-N 3.18Å; Q845-Y847 VanDerWaalsContact C-N 3.26Å; Q845-Y847 PolarHBondContact O-N 3.22Å; Q845-Y847 VanDerWaalsContact O-N 3.14Å; Q845-T848 WeakPolarHBondContact CA-OG1 3.37Å; Q845-T848 PolarHBondContact O-N 3.12Å; Q845-N849 VanDerWaalsContact O-CB 3.28Å; Q845-N849 WeakPolarHBondContact O-CB 3.39Å; Q845-N849 VanDerWaalsContact O-CG 3.23Å; Q845-N849 PolarHBondContact O-N 3.14Å; Q845-N849 PolarHBondContact O-ND2 3.06Å |
| 846 | L | 71.8 | Confident | 69.1 | Low | 11.25 Ų | 11.25 | 42.8 Ų | 42.8 | 6% | 0.059 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -25 | 177.8 | -72.5 | 168.8 | 0 | 0 | 0 | 114.4 | F728 L742 I748 L818 L824 L842 L843 L844 F850 | F728-L846 HydrophobicContact CD1-CD1 3.99Å; F728-L846 HydrophobicContact CD1-CD2 4.24Å; F728-L846 HydrophobicContact CE1-CD1 3.37Å; F728-L846 HydrophobicContact CE1-CD2 3.94Å; F728-L846 HydrophobicContact CE1-CG 4.31Å; F728-L846 HydrophobicContact CZ-CD1 4Å; L742-L846 HydrophobicContact CD1-CD2 4.43Å; I748-L846 HydrophobicContact CD1-CD2 4.28Å; L818-L846 HydrophobicContact CD1-CB 4.36Å; L818-L846 HydrophobicContact CD1-CD1 4.48Å; L818-L846 HydrophobicContact CD1-CD2 4.35Å; L824-L846 HydrophobicContact CD1-CD1 4.31Å; L824-L846 HydrophobicContact CD2-CD1 3.95Å; L842-L846 HydrophobicContact CD1-CD1 4.13Å; L842-L846 HydrophobicContact CD1-CD2 4.46Å; L842-L846 HydrophobicContact CD1-CG 4.19Å; L842-L846 HydrophobicContact CD2-CD1 4.43Å; L842-L846 HydrophobicContact CG-CD1 3.83Å; L842-L846 HydrophobicContact CG-CG 4.33Å; L842-L846 WeakPolarHBondContact O-CB 3.32Å; L842-L846 VanDerWaalsContact O-CG 3.29Å; L842-L846 WeakPolarHBondContact O-CG 3.35Å; L842-L846 PolarHBondContact O-N 3.16Å; L843-L846 PolarHBondContact O-N 3.39Å; L844-L846 VanDerWaalsContact C-N 3.31Å; L844-L846 PolarHBondContact O-N 3.05Å; L846-F850 WeakPolarHBondContact O-CE1 3.41Å; L846-F850 VanDerWaalsContact O-CE2 3.31Å; L846-F850 WeakPolarHBondContact O-CE2 3.38Å; L846-F850 VanDerWaalsContact O-CZ 3.27Å; L846-F850 WeakPolarHBondContact O-CZ 3.34Å |
| 847 | Y | 69.3 | Low | 67.9 | Low | 14.25 Ų | 14.25 | 47 Ų | 47 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -106.3 | -5.2 | -179.4 | -79.9 | -101.1 | 0 | 0 | 0 | 113.5 | L818 L821 L843 L844 Q845 F850 L862 I866 F930 | L818-Y847 HydrophobicContact CD1-CD2 4.38Å; L818-Y847 HydrophobicContact CD1-CE2 3.9Å; L821-Y847 HydrophobicContact CD1-CE2 4.17Å; L821-Y847 WeakPolarHBondContact CD1-OH 3.35Å; L821-Y847 WeakPolarHBondContact CD2-OH 3.35Å; L843-Y847 HydrophobicContact CD1-CD2 3.89Å; L843-Y847 HydrophobicContact CD1-CE2 3.58Å; L843-Y847 VanDerWaalsContact CD1-CE2 3.42Å; L843-Y847 HydrophobicContact CG-CD2 4.35Å; L843-Y847 HydrophobicContact CG-CE2 4.17Å; L843-Y847 VanDerWaalsContact O-CD2 3.26Å; L843-Y847 WeakPolarHBondContact O-CD2 3.32Å; L843-Y847 PolarHBondContact O-N 3.05Å; L844-Y847 CarbonylContact O-C 3.56Å; L844-Y847 PolarHBondContact O-N 2.99Å; L844-Y847 VanDerWaalsContact O-N 3.1Å; Q845-Y847 VanDerWaalsContact C-N 3.26Å; Q845-Y847 PolarHBondContact O-N 3.22Å; Q845-Y847 VanDerWaalsContact O-N 3.14Å; Y847-F850 VanDerWaalsContact C-CE2 3.47Å; Y847-F850 VanDerWaalsContact CA-CE2 3.48Å; Y847-F850 WeakPolarHBondContact O-CD2 3.37Å; Y847-F850 WeakPolarHBondContact O-CE2 3.19Å; Y847-L862 HydrophobicContact CD1-CB 4.24Å; Y847-L862 HydrophobicContact CD1-CD2 4.37Å; Y847-L862 HydrophobicContact CE1-CB 4.43Å; Y847-L862 HydrophobicContact CE1-CD2 4.22Å; Y847-L862 WeakPolarHBondContact CE1-O 3.4Å; Y847-I866 HydrophobicContact CD1-CB 3.97Å; Y847-I866 HydrophobicContact CD1-CD1 4.24Å; Y847-I866 HydrophobicContact CD1-CG2 4.07Å; Y847-I866 HydrophobicContact CD2-CD1 4.05Å; Y847-I866 HydrophobicContact CE1-CB 3.85Å; Y847-I866 HydrophobicContact CE1-CD1 4.31Å; Y847-I866 HydrophobicContact CE1-CG1 4.48Å; Y847-I866 HydrophobicContact CE1-CG2 4.31Å; Y847-I866 HydrophobicContact CE2-CD1 4.12Å; Y847-I866 HydrophobicContact CG-CB 4.48Å; Y847-I866 HydrophobicContact CG-CD1 3.96Å; Y847-F930 HydrophobicContact CG-CE1 4.29Å; Y847-F930 HydrophobicContact CG-CE2 4.35Å; Y847-F930 HydrophobicContact CG-CZ 4.31Å; Y847-F930 WeakPolarHBondContact O-CE2 3.31Å; Y847-F930 WeakPolarHBondContact O-CZ 3.43Å |
| 848 | T | 66.1 | Low | 66.8 | Low | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.08 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -118.3 | -33.3 | -178.3 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | L844 Q845 F850 F930 R933 M934 E937 | L844-T848 VanDerWaalsContact C-OG1 3.25Å; L844-T848 HydrophobicContact CD1-CG2 3.82Å; L844-T848 HydrophobicContact CG-CG2 4.28Å; L844-T848 WeakPolarHBondContact O-CB 3.42Å; L844-T848 VanDerWaalsContact O-CG2 3.3Å; L844-T848 WeakPolarHBondContact O-CG2 3.38Å; L844-T848 PolarHBondContact O-N 3.19Å; L844-T848 VanDerWaalsContact O-N 3.1Å; L844-T848 PolarHBondContact O-OG1 3.04Å; L844-T848 VanDerWaalsContact O-OG1 3.08Å; Q845-T848 WeakPolarHBondContact CA-OG1 3.37Å; Q845-T848 PolarHBondContact O-N 3.12Å; T848-F850 PolarHBondContact O-N 3.3Å; T848-F930 HydrophobicContact CG2-CD2 4.14Å; T848-F930 HydrophobicContact CG2-CE2 4.04Å; T848-F930 VanDerWaalsContact CG2-CE2 3.45Å; T848-F930 HydrophobicContact CG2-CZ 4.25Å; T848-R933 VanDerWaalsContact CB-NH1 3.32Å; T848-R933 HydrophobicContact CG2-CB 3.92Å; T848-R933 HydrophobicContact CG2-CG 3.79Å; T848-R933 PolarHBondContact OG1-NH1 3.41Å; T848-R933 PolarHBondContact OG1-NH2 3.01Å; T848-M934 HydrophobicContact CG2-CE 3.87Å; T848-E937 WeakPolarHBondContact CB-OE1 3.35Å; T848-E937 WeakPolarHBondContact CB-OE2 3.37Å |
| 849 | N | 59.8 | Low | 65.7 | Low | 52.75 Ų | 52.75 | 45 Ų | 45 | 28% | 0.282 | 23% | 0.23 | S | C | . | . | trans | -80.1 | 56.2 | -179.1 | -66.2 | 13.1 | 0 | 0 | 0 | 112 | L742 N746 I748 L750 Q845 R933 | L742-N849 HydrophobicContact CD2-CB 3.65Å; L742-N849 WeakPolarHBondContact CD2-O 3.12Å; L742-N849 WeakPolarHBondContact CG-O 3.36Å; N746-N849 PolarHBondContact ND2-ND2 3.2Å; I748-N849 PolarHBondContact N-ND2 3.36Å; I748-N849 VanDerWaalsContact O-CB 3.28Å; I748-N849 WeakPolarHBondContact O-CB 3.1Å; I748-N849 PolarHBondContact O-ND2 3.15Å; L750-N849 WeakPolarHBondContact CD1-O 3.43Å; Q845-N849 VanDerWaalsContact O-CB 3.28Å; Q845-N849 WeakPolarHBondContact O-CB 3.39Å; Q845-N849 VanDerWaalsContact O-CG 3.23Å; Q845-N849 PolarHBondContact O-N 3.14Å; Q845-N849 PolarHBondContact O-ND2 3.06Å; N849-R933 PolarHBondContact OD1-NH2 3.38Å | ||
| 850 | F | 55.1 | Low | 64.7 | Low | 24.5 Ų | 24.5 | 49.2 Ų | 49.2 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | trans | -94.3 | 135 | 171.2 | -69.6 | -61.6 | 0 | 0 | 0 | 110.2 | I738 L742 L750 I816 L846 Y847 T848 S852 I854 R859 L862 | I738-F850 HydrophobicContact CG2-CE1 3.85Å; L742-F850 HydrophobicContact CD2-CD1 3.6Å; L742-F850 HydrophobicContact CD2-CE1 3.56Å; L742-F850 HydrophobicContact CD2-CG 4.24Å; L742-F850 HydrophobicContact CD2-CZ 4.12Å; L742-F850 HydrophobicContact CG-CE1 4.34Å; L750-F850 HydrophobicContact CD2-CD1 4.29Å; L750-F850 HydrophobicContact CD2-CE1 4.09Å; I816-F850 HydrophobicContact CD1-CD1 4.12Å; I816-F850 HydrophobicContact CD1-CE1 3.93Å; I816-F850 HydrophobicContact CD1-CZ 4.31Å; L846-F850 WeakPolarHBondContact O-CE1 3.41Å; L846-F850 VanDerWaalsContact O-CE2 3.31Å; L846-F850 WeakPolarHBondContact O-CE2 3.38Å; L846-F850 VanDerWaalsContact O-CZ 3.27Å; L846-F850 WeakPolarHBondContact O-CZ 3.34Å; Y847-F850 VanDerWaalsContact C-CE2 3.47Å; Y847-F850 VanDerWaalsContact CA-CE2 3.48Å; Y847-F850 WeakPolarHBondContact O-CD2 3.37Å; Y847-F850 WeakPolarHBondContact O-CE2 3.19Å; T848-F850 PolarHBondContact O-N 3.3Å; F850-S852 PolarHBondContact O-N 3.07Å; F850-I854 HydrophobicContact CB-CB 4.42Å; F850-I854 HydrophobicContact CB-CD1 3.93Å; F850-I854 HydrophobicContact CD1-CD1 3.7Å; F850-I854 HydrophobicContact CG-CD1 4.15Å; F850-R859 HydrophobicContact CD2-CG 4.33Å; F850-L862 HydrophobicContact CD2-CD1 4.01Å; F850-L862 HydrophobicContact CE1-CD1 4.08Å; F850-L862 HydrophobicContact CE2-CB 3.99Å; F850-L862 HydrophobicContact CE2-CD1 3.6Å; F850-L862 HydrophobicContact CE2-CD2 4.47Å; F850-L862 HydrophobicContact CE2-CG 4.39Å; F850-L862 HydrophobicContact CZ-CB 4.34Å; F850-L862 HydrophobicContact CZ-CD1 3.61Å; F850-L862 HydrophobicContact CZ-CD2 4.24Å; F850-L862 HydrophobicContact CZ-CG 4.29Å | ||
| 851 | N | 46.8 | Very low | 63.9 | Low | 40 Ų | 40 | 53.7 Ų | 53.7 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | trans | -51.8 | 142.9 | 173.5 | -119.2 | -26.5 | 0 | 0 | 0 | 110.3 | F745 L750 N853 I854 R859 | F745-N851 VanDerWaalsContact CD2-OD1 3.25Å; F745-N851 WeakPolarHBondContact CD2-OD1 3.49Å; F745-N851 WeakPolarHBondContact CE2-OD1 3.42Å; L750-N851 PolarHBondContact O-ND2 2.79Å; N851-N853 PolarHBondContact O-N 3.38Å; N851-N853 VanDerWaalsContact O-N 3.1Å; N851-I854 HydrophobicContact CB-CD1 4.35Å; N851-I854 WeakPolarHBondContact O-CB 3.32Å; N851-I854 PolarHBondContact O-N 3.15Å; N851-I854 VanDerWaalsContact O-N 3.1Å; N851-R859 PolarHBondContact O-NH2 3.02Å | ||
| 852 | S | 49.8 | Very low | 63.2 | Low | 68 Ų | 68 | 49.1 Ų | 49.1 | 48% | 0.476 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -38.8 | -180 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | F850 I854 R859 C1749 E1750 | F850-S852 PolarHBondContact O-N 3.07Å; S852-I854 VanDerWaalsContact C-N 3.29Å; S852-I854 CarbonylContact O-C 3.5Å; S852-I854 PolarHBondContact O-N 3.18Å; S852-R859 PolarHBondContact O-NH2 2.69Å; S852-C1749 WeakPolarHBondContact CB-O 3.4Å; S852-E1750 WeakPolarHBondContact CB-OE1 3.5Å; S852-E1750 VanDerWaalsContact O-OE1 3.11Å |
| 853 | N | 48.5 | Very low | 62.6 | Low | 121.25 Ų | 121.25 | 49.5 Ų | 49.5 | 65% | 0.648 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -5.8 | -175.3 | -59.3 | -8.2 | 0 | 0 | 0 | 114.6 | N851 N855 H1707 E1750 | N851-N853 PolarHBondContact O-N 3.38Å; N851-N853 VanDerWaalsContact O-N 3.1Å; N853-N855 PolarHBondContact O-N 3.04Å; N853-N855 VanDerWaalsContact O-N 3.13Å; N853-H1707 PolarHBondContact ND2-CD2 3.4Å; N853-H1707 PolarHBondContact ND2-CE1 3.35Å; N853-H1707 PolarHBondContact ND2-NE2 2.72Å; N853-E1750 WeakPolarHBondContact CA-OE1 3.26Å; N853-E1750 PolarHBondContact N-OE1 2.88Å; N853-E1750 PolarHBondContact OD1-OE1 3.33Å |
| 854 | I | 52.5 | Low | 62.1 | Low | 28.5 Ų | 28.5 | 53.8 Ų | 53.8 | 15% | 0.146 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -74.9 | 106.6 | 172.2 | -67.8 | 175.8 | 0 | 0 | 0 | 108.8 | E741 I816 F850 N851 S852 L856 K858 R859 L862 | E741-I854 WeakPolarHBondContact OE2-CD1 3.35Å; I816-I854 HydrophobicContact CD1-CD1 4.33Å; F850-I854 HydrophobicContact CB-CB 4.42Å; F850-I854 HydrophobicContact CB-CD1 3.93Å; F850-I854 HydrophobicContact CD1-CD1 3.7Å; F850-I854 HydrophobicContact CG-CD1 4.15Å; N851-I854 HydrophobicContact CB-CD1 4.35Å; N851-I854 WeakPolarHBondContact O-CB 3.32Å; N851-I854 PolarHBondContact O-N 3.15Å; N851-I854 VanDerWaalsContact O-N 3.1Å; S852-I854 VanDerWaalsContact C-N 3.29Å; S852-I854 CarbonylContact O-C 3.5Å; S852-I854 PolarHBondContact O-N 3.18Å; I854-L856 PolarHBondContact O-N 3.18Å; I854-K858 HydrophobicContact CG2-CB 3.88Å; I854-K858 HydrophobicContact CG2-CD 4.13Å; I854-R859 HydrophobicContact CG2-CG 4.19Å; I854-R859 PolarHBondContact O-NE 3.07Å; I854-R859 PolarHBondContact O-NH2 2.86Å; I854-R859 VanDerWaalsContact O-NH2 3.07Å; I854-L862 HydrophobicContact CG2-CD1 4.47Å |
| 855 | N | 52.7 | Low | 62 | Low | 98.25 Ų | 98.25 | 55.3 Ų | 55.3 | 53% | 0.525 | 28% | 0.28 | S | S | . | . | trans | -33 | 125.8 | 175.7 | -170.7 | -30.7 | 0 | 0 | 0 | 112.4 | N853 N857 K858 R859 | N853-N855 PolarHBondContact O-N 3.04Å; N853-N855 VanDerWaalsContact O-N 3.13Å; N855-N857 PolarHBondContact O-N 3.31Å; N855-N857 WeakPolarHBondContact OD1-CB 3.41Å; N855-N857 PolarHBondContact OD1-N 2.82Å; N855-K858 WeakPolarHBondContact O-CA 3.49Å; N855-K858 WeakPolarHBondContact O-CB 3.23Å; N855-K858 PolarHBondContact O-N 3.02Å; N855-R859 PolarHBondContact O-N 3.23Å; N855-R859 VanDerWaalsContact O-N 3.08Å | ||
| 856 | L | 56.8 | Low | 62.2 | Low | 47.75 Ų | 47.75 | 52.2 Ų | 52.2 | 25% | 0.25 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -47 | -35 | -176.4 | -155.2 | 73.3 | 0 | 0 | 0 | 113.3 | I854 K858 R859 K860 N941 N1751 | I854-L856 PolarHBondContact O-N 3.18Å; L856-K858 VanDerWaalsContact C-N 3.3Å; L856-K858 PolarHBondContact O-N 3.36Å; L856-R859 WeakPolarHBondContact O-CB 3.25Å; L856-R859 PolarHBondContact O-N 3.02Å; L856-R859 VanDerWaalsContact O-N 3.09Å; L856-K860 HydrophobicContact CG-CD 4.28Å; L856-K860 WeakPolarHBondContact O-CB 3.41Å; L856-K860 WeakPolarHBondContact O-CG 3.35Å; L856-K860 PolarHBondContact O-N 3.1Å; L856-N941 HydrophobicContact CD1-CB 4.35Å; L856-N941 HydrophobicContact CD2-CB 3.74Å; L856-N1751 WeakPolarHBondContact CD2-ND2 3.23Å |
| 857 | N | 60.1 | Low | 62.4 | Low | 104.25 Ų | 104.25 | 54.5 Ų | 54.5 | 56% | 0.557 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.5 | -36.9 | 177.8 | -67.2 | -16.2 | 0 | 0 | 0 | 112.9 | N855 R859 K860 E861 | N855-N857 PolarHBondContact O-N 3.31Å; N855-N857 WeakPolarHBondContact OD1-CB 3.41Å; N855-N857 PolarHBondContact OD1-N 2.82Å; N857-R859 VanDerWaalsContact C-N 3.34Å; N857-K860 PolarHBondContact O-N 3.08Å; N857-E861 VanDerWaalsContact O-CB 3.31Å; N857-E861 WeakPolarHBondContact O-CB 3.37Å; N857-E861 PolarHBondContact O-N 3.02Å |
| 858 | K | 61.6 | Low | 63 | Low | 71 Ų | 71 | 59.1 Ų | 59.1 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.4 | -36.3 | 174.1 | -73.9 | -170.1 | 173.7 | -174 | 0 | 111.9 | T812 S813 T814 I854 N855 L856 E861 L862 | T812-K858 PolarHBondContact O-NZ 2.94Å; S813-K858 PolarHBondContact O-NZ 3.18Å; S813-K858 WeakPolarHBondContact OG-CE 3.32Å; S813-K858 PolarHBondContact OG-NZ 3.15Å; T814-K858 PolarHBondContact O-NZ 3.07Å; T814-K858 PolarHBondContact OG1-NZ 2.71Å; T814-K858 VanDerWaalsContact OG1-NZ 3.07Å; I854-K858 HydrophobicContact CG2-CB 3.88Å; I854-K858 HydrophobicContact CG2-CD 4.13Å; N855-K858 WeakPolarHBondContact O-CA 3.49Å; N855-K858 WeakPolarHBondContact O-CB 3.23Å; N855-K858 PolarHBondContact O-N 3.02Å; L856-K858 VanDerWaalsContact C-N 3.3Å; L856-K858 PolarHBondContact O-N 3.36Å; K858-E861 PolarHBondContact O-N 3.34Å; K858-L862 WeakPolarHBondContact O-CB 3.21Å; K858-L862 VanDerWaalsContact O-CD1 3.31Å; K858-L862 WeakPolarHBondContact O-CD1 3.25Å; K858-L862 VanDerWaalsContact O-CG 3.24Å; K858-L862 WeakPolarHBondContact O-CG 3.26Å; K858-L862 PolarHBondContact O-N 2.83Å |
| 859 | R | 60.4 | Low | 63.7 | Low | 32.25 Ų | 32.25 | 60.9 Ų | 60.9 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 172 | -115.8 | -178.4 | -90.1 | 127.8 | 4.4 | 110.5 | F850 N851 S852 I854 N855 L856 N857 E861 L862 C863 N941 E1750 | F850-R859 HydrophobicContact CD2-CG 4.33Å; N851-R859 PolarHBondContact O-NH2 3.02Å; S852-R859 PolarHBondContact O-NH2 2.69Å; I854-R859 HydrophobicContact CG2-CG 4.19Å; I854-R859 PolarHBondContact O-NE 3.07Å; I854-R859 PolarHBondContact O-NH2 2.86Å; I854-R859 VanDerWaalsContact O-NH2 3.07Å; N855-R859 PolarHBondContact O-N 3.23Å; N855-R859 VanDerWaalsContact O-N 3.08Å; L856-R859 WeakPolarHBondContact O-CB 3.25Å; L856-R859 PolarHBondContact O-N 3.02Å; L856-R859 VanDerWaalsContact O-N 3.09Å; N857-R859 VanDerWaalsContact C-N 3.34Å; R859-E861 VanDerWaalsContact C-N 3.34Å; R859-E861 PolarHBondContact O-N 3.24Å; R859-L862 PolarHBondContact O-N 3.01Å; R859-L862 VanDerWaalsContact O-N 3.14Å; R859-C863 WeakPolarHBondContact O-CB 3.47Å; R859-C863 PolarHBondContact O-N 3.06Å; R859-C863 PolarHBondContact O-SG 3.07Å; R859-C863 VanDerWaalsContact O-SG 3.4Å; R859-N941 PolarHBondContact NH1-ND2 2.89Å; R859-E1750 IonicContact CZ-OE2 2.63Å; R859-E1750 PolarHBondContact NH1-O 2.8Å; R859-E1750 PolarHBondContact NH2-O 2.75Å; R859-E1750 IonicContact NH2-OE2 3.44Å; R859-E1750 PolarHBondContact NH2-OE2 2.98Å |
| 860 | K | 64.5 | Low | 64.8 | Low | 89 Ų | 89 | 58.4 Ų | 58.4 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 174.2 | -71.9 | 176.1 | 178.2 | 176.6 | 0 | 112.3 | L856 N857 C863 F864 D942 | L856-K860 HydrophobicContact CG-CD 4.28Å; L856-K860 WeakPolarHBondContact O-CB 3.41Å; L856-K860 WeakPolarHBondContact O-CG 3.35Å; L856-K860 PolarHBondContact O-N 3.1Å; N857-K860 PolarHBondContact O-N 3.08Å; K860-C863 PolarHBondContact O-N 3.3Å; K860-F864 VanDerWaalsContact O-CB 3.26Å; K860-F864 WeakPolarHBondContact O-CB 3.46Å; K860-F864 PolarHBondContact O-N 3.23Å; K860-D942 WeakPolarHBondContact CE-OD2 3.43Å; K860-D942 IonicContact NZ-OD1 2.59Å; K860-D942 IonicContact NZ-OD2 3.49Å; K860-D942 PolarHBondContact NZ-OD2 3.09Å |
| 861 | E | 68.1 | Low | 66 | Low | 95.5 Ų | 95.5 | 62.7 Ų | 62.7 | 45% | 0.446 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.3 | -168.1 | -165.4 | 156.9 | 0 | 0 | 112.3 | N857 K858 R859 C863 F864 N865 | N857-E861 VanDerWaalsContact O-CB 3.31Å; N857-E861 WeakPolarHBondContact O-CB 3.37Å; N857-E861 PolarHBondContact O-N 3.02Å; K858-E861 PolarHBondContact O-N 3.34Å; R859-E861 VanDerWaalsContact C-N 3.34Å; R859-E861 PolarHBondContact O-N 3.24Å; E861-C863 VanDerWaalsContact C-N 3.32Å; E861-C863 PolarHBondContact O-N 3Å; E861-F864 CarbonylContact O-C 3.51Å; E861-F864 WeakPolarHBondContact O-CB 3.39Å; E861-F864 PolarHBondContact O-N 3.35Å; E861-N865 WeakPolarHBondContact O-CB 3.35Å; E861-N865 VanDerWaalsContact O-CG 3.26Å; E861-N865 PolarHBondContact O-N 3.01Å; E861-N865 PolarHBondContact O-ND2 3.16Å; E861-N865 VanDerWaalsContact O-ND2 3.11Å |
| 862 | L | 66.9 | Low | 67.8 | Low | 17.75 Ų | 17.75 | 63.4 Ų | 63.4 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 177.4 | -75.4 | 163.2 | 0 | 0 | 0 | 112.2 | I816 Y847 F850 I854 K858 R859 F864 N865 I866 | I816-L862 HydrophobicContact CB-CD2 4.08Å; I816-L862 HydrophobicContact CD1-CD1 3.83Å; I816-L862 HydrophobicContact CD1-CD2 4.06Å; I816-L862 HydrophobicContact CD1-CG 4.18Å; I816-L862 HydrophobicContact CG1-CD2 4.45Å; I816-L862 HydrophobicContact CG2-CD2 3.73Å; Y847-L862 HydrophobicContact CD1-CB 4.24Å; Y847-L862 HydrophobicContact CD1-CD2 4.37Å; Y847-L862 HydrophobicContact CE1-CB 4.43Å; Y847-L862 HydrophobicContact CE1-CD2 4.22Å; Y847-L862 WeakPolarHBondContact CE1-O 3.4Å; F850-L862 HydrophobicContact CD2-CD1 4.01Å; F850-L862 HydrophobicContact CE1-CD1 4.08Å; F850-L862 HydrophobicContact CE2-CB 3.99Å; F850-L862 HydrophobicContact CE2-CD1 3.6Å; F850-L862 HydrophobicContact CE2-CD2 4.47Å; F850-L862 HydrophobicContact CE2-CG 4.39Å; F850-L862 HydrophobicContact CZ-CB 4.34Å; F850-L862 HydrophobicContact CZ-CD1 3.61Å; F850-L862 HydrophobicContact CZ-CD2 4.24Å; F850-L862 HydrophobicContact CZ-CG 4.29Å; I854-L862 HydrophobicContact CG2-CD1 4.47Å; K858-L862 WeakPolarHBondContact O-CB 3.21Å; K858-L862 VanDerWaalsContact O-CD1 3.31Å; K858-L862 WeakPolarHBondContact O-CD1 3.25Å; K858-L862 VanDerWaalsContact O-CG 3.24Å; K858-L862 WeakPolarHBondContact O-CG 3.26Å; K858-L862 PolarHBondContact O-N 2.83Å; R859-L862 PolarHBondContact O-N 3.01Å; R859-L862 VanDerWaalsContact O-N 3.14Å; L862-F864 VanDerWaalsContact C-N 3.28Å; L862-F864 PolarHBondContact O-N 3.39Å; L862-N865 WeakPolarHBondContact O-CB 3.32Å; L862-N865 PolarHBondContact O-N 2.97Å; L862-N865 VanDerWaalsContact O-N 3.16Å; L862-I866 PolarHBondContact O-N 3.3Å; L862-I866 VanDerWaalsContact O-N 3.08Å |
| 863 | C | 69.1 | Low | 69.5 | Low | 17.25 Ų | 17.25 | 61.8 Ų | 61.8 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 174.5 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | R859 K860 E861 N865 I866 M867 F930 M934 | R859-C863 WeakPolarHBondContact O-CB 3.47Å; R859-C863 PolarHBondContact O-N 3.06Å; R859-C863 PolarHBondContact O-SG 3.07Å; R859-C863 VanDerWaalsContact O-SG 3.4Å; K860-C863 PolarHBondContact O-N 3.3Å; E861-C863 VanDerWaalsContact C-N 3.32Å; E861-C863 PolarHBondContact O-N 3Å; C863-N865 VanDerWaalsContact C-N 3.33Å; C863-N865 PolarHBondContact O-N 3.11Å; C863-I866 VanDerWaalsContact O-CG2 3.29Å; C863-I866 WeakPolarHBondContact O-CG2 3.41Å; C863-I866 PolarHBondContact O-N 3.15Å; C863-M867 HydrophobicContact CB-SD 4.26Å; C863-M867 VanDerWaalsContact O-CB 3.3Å; C863-M867 WeakPolarHBondContact O-CB 3.36Å; C863-M867 VanDerWaalsContact O-CG 3.3Å; C863-M867 WeakPolarHBondContact O-CG 3.41Å; C863-M867 PolarHBondContact O-N 2.91Å; C863-M867 VanDerWaalsContact O-SD 3.41Å; C863-F930 HydrophobicContact CB-CE1 4.34Å; C863-F930 HydrophobicContact CB-CZ 4.38Å; C863-M934 HydrophobicContact CB-CE 3.8Å; C863-M934 HydrophobicContact CB-CG 3.81Å; C863-M934 HydrophobicContact CB-SD 3.42Å; C863-M934 WeakPolarHBondContact CB-SD 3.39Å; C863-M934 WeakPolarHBondContact SG-CE 3.28Å; C863-M934 PolarHBondContact SG-SD 3.06Å |
| 864 | F | 72.8 | Confident | 71.2 | Confident | 90.5 Ų | 90.5 | 57.3 Ų | 57.3 | 40% | 0.397 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 173.6 | -175.2 | -119.6 | 0 | 0 | 0 | 112.1 | K860 E861 L862 M867 K868 | K860-F864 VanDerWaalsContact O-CB 3.26Å; K860-F864 WeakPolarHBondContact O-CB 3.46Å; K860-F864 PolarHBondContact O-N 3.23Å; E861-F864 CarbonylContact O-C 3.51Å; E861-F864 WeakPolarHBondContact O-CB 3.39Å; E861-F864 PolarHBondContact O-N 3.35Å; L862-F864 VanDerWaalsContact C-N 3.28Å; L862-F864 PolarHBondContact O-N 3.39Å; F864-M867 WeakPolarHBondContact CA-SD 3.22Å; F864-M867 HydrophobicContact CB-SD 4.43Å; F864-M867 HydrophobicContact CD2-CE 4.16Å; F864-M867 PolarHBondContact N-SD 3.34Å; F864-M867 VanDerWaalsContact N-SD 3.45Å; F864-M867 WeakPolarHBondContact O-CB 3.05Å; F864-M867 PolarHBondContact O-N 3.16Å; F864-K868 HydrophobicContact CD1-CD 4.2Å; F864-K868 HydrophobicContact CD2-CD 4.14Å; F864-K868 HydrophobicContact CD2-CG 4.17Å; F864-K868 HydrophobicContact CE1-CD 4.06Å; F864-K868 VanDerWaalsContact CE1-CE 3.44Å; F864-K868 HydrophobicContact CE2-CD 4.12Å; F864-K868 HydrophobicContact CE2-CG 4.16Å; F864-K868 HydrophobicContact CG-CD 4.39Å; F864-K868 HydrophobicContact CZ-CD 4.2Å; F864-K868 HydrophobicContact CZ-CG 4.48Å; F864-K868 VanDerWaalsContact CZ-NZ 3.29Å; F864-K868 VanDerWaalsContact O-CB 3.29Å; F864-K868 WeakPolarHBondContact O-CB 3.41Å; F864-K868 WeakPolarHBondContact O-CD 3.47Å; F864-K868 VanDerWaalsContact O-CG 3.24Å; F864-K868 WeakPolarHBondContact O-CG 3.22Å; F864-K868 PolarHBondContact O-N 3.17Å |
| 865 | N | 75.6 | Confident | 72.7 | Confident | 58.25 Ų | 58.25 | 60.7 Ų | 60.7 | 31% | 0.311 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 176.6 | -73.2 | -30.2 | 0 | 0 | 0 | 112.5 | E861 L862 C863 M867 K868 L869 | E861-N865 WeakPolarHBondContact O-CB 3.35Å; E861-N865 VanDerWaalsContact O-CG 3.26Å; E861-N865 PolarHBondContact O-N 3.01Å; E861-N865 PolarHBondContact O-ND2 3.16Å; E861-N865 VanDerWaalsContact O-ND2 3.11Å; L862-N865 WeakPolarHBondContact O-CB 3.32Å; L862-N865 PolarHBondContact O-N 2.97Å; L862-N865 VanDerWaalsContact O-N 3.16Å; C863-N865 VanDerWaalsContact C-N 3.33Å; C863-N865 PolarHBondContact O-N 3.11Å; N865-M867 VanDerWaalsContact C-N 3.34Å; N865-M867 PolarHBondContact O-N 3.19Å; N865-K868 PolarHBondContact O-N 3.22Å; N865-L869 WeakPolarHBondContact O-CB 3.5Å; N865-L869 VanDerWaalsContact O-CG 3.27Å; N865-L869 WeakPolarHBondContact O-CG 3.39Å; N865-L869 PolarHBondContact O-N 3.33Å |
| 866 | I | 77.7 | Confident | 74.2 | Confident | 0.5 Ų | 0.5 | 60.4 Ų | 60.4 | 0% | 0.003 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 175.3 | -164.5 | 149.2 | 0 | 0 | 0 | 112.1 | W825 L843 Y847 L862 C863 L869 C870 F930 | W825-I866 HydrophobicContact CH2-CG1 4.4Å; W825-I866 HydrophobicContact CZ2-CD1 3.91Å; W825-I866 HydrophobicContact CZ2-CG1 4.31Å; L843-I866 HydrophobicContact CD1-CD1 3.98Å; L843-I866 HydrophobicContact CD2-CD1 4.24Å; L843-I866 HydrophobicContact CG-CD1 4.22Å; Y847-I866 HydrophobicContact CD1-CB 3.97Å; Y847-I866 HydrophobicContact CD1-CD1 4.24Å; Y847-I866 HydrophobicContact CD1-CG2 4.07Å; Y847-I866 HydrophobicContact CD2-CD1 4.05Å; Y847-I866 HydrophobicContact CE1-CB 3.85Å; Y847-I866 HydrophobicContact CE1-CD1 4.31Å; Y847-I866 HydrophobicContact CE1-CG1 4.48Å; Y847-I866 HydrophobicContact CE1-CG2 4.31Å; Y847-I866 HydrophobicContact CE2-CD1 4.12Å; Y847-I866 HydrophobicContact CG-CB 4.48Å; Y847-I866 HydrophobicContact CG-CD1 3.96Å; L862-I866 PolarHBondContact O-N 3.3Å; L862-I866 VanDerWaalsContact O-N 3.08Å; C863-I866 VanDerWaalsContact O-CG2 3.29Å; C863-I866 WeakPolarHBondContact O-CG2 3.41Å; C863-I866 PolarHBondContact O-N 3.15Å; I866-L869 HydrophobicContact CD1-CD1 4.33Å; I866-L869 PolarHBondContact O-N 3.07Å; I866-C870 WeakPolarHBondContact O-CB 3.37Å; I866-C870 PolarHBondContact O-N 3.27Å; I866-C870 PolarHBondContact O-SG 2.88Å; I866-F930 HydrophobicContact CD1-CD2 4.23Å; I866-F930 HydrophobicContact CD1-CE2 4.22Å; I866-F930 HydrophobicContact CD1-CG 4.2Å; I866-F930 HydrophobicContact CD1-CZ 4.48Å; I866-F930 HydrophobicContact CG1-CD2 4.23Å; I866-F930 HydrophobicContact CG1-CE2 3.75Å; I866-F930 HydrophobicContact CG1-CZ 3.92Å; I866-F930 HydrophobicContact CG2-CB 4.44Å; I866-F930 HydrophobicContact CG2-CD1 3.93Å; I866-F930 HydrophobicContact CG2-CD2 4.32Å; I866-F930 HydrophobicContact CG2-CE1 3.59Å; I866-F930 VanDerWaalsContact CG2-CE1 3.4Å; I866-F930 HydrophobicContact CG2-CE2 4.1Å; I866-F930 HydrophobicContact CG2-CG 4.18Å; I866-F930 HydrophobicContact CG2-CZ 3.68Å; I866-F930 VanDerWaalsContact CG2-CZ 3.42Å |
| 867 | M | 76.5 | Confident | 75.4 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 173.3 | -89.3 | 170.8 | 59 | 0 | 0 | 111.6 | C863 F864 N865 L869 C870 Y871 L927 F930 H1367 F1369 | C863-M867 HydrophobicContact CB-SD 4.26Å; C863-M867 VanDerWaalsContact O-CB 3.3Å; C863-M867 WeakPolarHBondContact O-CB 3.36Å; C863-M867 VanDerWaalsContact O-CG 3.3Å; C863-M867 WeakPolarHBondContact O-CG 3.41Å; C863-M867 PolarHBondContact O-N 2.91Å; C863-M867 VanDerWaalsContact O-SD 3.41Å; F864-M867 WeakPolarHBondContact CA-SD 3.22Å; F864-M867 HydrophobicContact CB-SD 4.43Å; F864-M867 HydrophobicContact CD2-CE 4.16Å; F864-M867 PolarHBondContact N-SD 3.34Å; F864-M867 VanDerWaalsContact N-SD 3.45Å; F864-M867 WeakPolarHBondContact O-CB 3.05Å; F864-M867 PolarHBondContact O-N 3.16Å; N865-M867 VanDerWaalsContact C-N 3.34Å; N865-M867 PolarHBondContact O-N 3.19Å; M867-L869 VanDerWaalsContact C-N 3.35Å; M867-L869 PolarHBondContact O-N 2.96Å; M867-C870 WeakPolarHBondContact O-CB 3.28Å; M867-C870 PolarHBondContact O-N 3.14Å; M867-Y871 WeakPolarHBondContact O-CB 3.44Å; M867-Y871 PolarHBondContact O-N 3.16Å; M867-L927 HydrophobicContact CB-CD1 4.47Å; M867-L927 HydrophobicContact CG-CD1 4.23Å; M867-F930 HydrophobicContact CG-CE1 4.47Å; M867-H1367 WeakPolarHBondContact CG-CD2 3.5Å; M867-H1367 WeakPolarHBondContact CG-CE1 3.48Å; M867-H1367 WeakPolarHBondContact CG-NE2 3.5Å; M867-H1367 PolarHBondContact SD-CE1 3.29Å; M867-F1369 HydrophobicContact CB-CD1 4.38Å; M867-F1369 HydrophobicContact CB-CE1 3.72Å; M867-F1369 HydrophobicContact CB-CZ 4.15Å; M867-F1369 HydrophobicContact CE-CB 4.02Å; M867-F1369 HydrophobicContact CE-CD1 3.16Å; M867-F1369 HydrophobicContact CE-CD2 3.98Å; M867-F1369 HydrophobicContact CE-CE1 3.62Å; M867-F1369 HydrophobicContact CE-CE2 4.38Å; M867-F1369 HydrophobicContact CE-CG 3.38Å; M867-F1369 HydrophobicContact CE-CZ 4.21Å; M867-F1369 HydrophobicContact CG-CD1 3.67Å; M867-F1369 HydrophobicContact CG-CE1 3.37Å; M867-F1369 HydrophobicContact CG-CZ 4.28Å; M867-F1369 HydrophobicContact SD-CD1 3.63Å; M867-F1369 HydrophobicContact SD-CE1 3.99Å; M867-F1369 HydrophobicContact SD-CG 4.38Å |
| 868 | K | 80.7 | Confident | 76.4 | Confident | 112 Ų | 112 | 57.6 Ų | 57.6 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.6 | -100.9 | 176.1 | 168.5 | 175.5 | 0 | 112.3 | F864 N865 Y871 A872 | F864-K868 HydrophobicContact CD1-CD 4.2Å; F864-K868 HydrophobicContact CD2-CD 4.14Å; F864-K868 HydrophobicContact CD2-CG 4.17Å; F864-K868 HydrophobicContact CE1-CD 4.06Å; F864-K868 VanDerWaalsContact CE1-CE 3.44Å; F864-K868 HydrophobicContact CE2-CD 4.12Å; F864-K868 HydrophobicContact CE2-CG 4.16Å; F864-K868 HydrophobicContact CG-CD 4.39Å; F864-K868 HydrophobicContact CZ-CD 4.2Å; F864-K868 HydrophobicContact CZ-CG 4.48Å; F864-K868 VanDerWaalsContact CZ-NZ 3.29Å; F864-K868 VanDerWaalsContact O-CB 3.29Å; F864-K868 WeakPolarHBondContact O-CB 3.41Å; F864-K868 WeakPolarHBondContact O-CD 3.47Å; F864-K868 VanDerWaalsContact O-CG 3.24Å; F864-K868 WeakPolarHBondContact O-CG 3.22Å; F864-K868 PolarHBondContact O-N 3.17Å; N865-K868 PolarHBondContact O-N 3.22Å; K868-Y871 PolarHBondContact O-N 3.11Å; K868-A872 WeakPolarHBondContact O-CB 3.37Å; K868-A872 PolarHBondContact O-N 3.28Å |
| 869 | L | 81.8 | Confident | 77.4 | Confident | 49.75 Ų | 49.75 | 58.1 Ų | 58.1 | 26% | 0.26 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 174.9 | -75.1 | 166.4 | 0 | 0 | 0 | 111.5 | L821 W825 N865 I866 M867 Y871 A872 Y873 | L821-L869 HydrophobicContact CD2-CD1 3.66Å; L821-L869 VanDerWaalsContact CD2-CD1 3.48Å; W825-L869 HydrophobicContact CH2-CB 4.41Å; W825-L869 HydrophobicContact CZ2-CB 4Å; W825-L869 HydrophobicContact CZ2-CD1 4.3Å; N865-L869 WeakPolarHBondContact O-CB 3.5Å; N865-L869 VanDerWaalsContact O-CG 3.27Å; N865-L869 WeakPolarHBondContact O-CG 3.39Å; N865-L869 PolarHBondContact O-N 3.33Å; I866-L869 HydrophobicContact CD1-CD1 4.33Å; I866-L869 PolarHBondContact O-N 3.07Å; M867-L869 VanDerWaalsContact C-N 3.35Å; M867-L869 PolarHBondContact O-N 2.96Å; L869-Y871 VanDerWaalsContact C-N 3.3Å; L869-Y871 PolarHBondContact O-N 3.11Å; L869-A872 PolarHBondContact O-N 3.25Å; L869-Y873 HydrophobicContact CB-CE2 4.35Å; L869-Y873 HydrophobicContact CD2-CE2 4.29Å; L869-Y873 WeakPolarHBondContact O-CD2 3.35Å; L869-Y873 PolarHBondContact O-N 3.06Å |
| 870 | C | 82.4 | Confident | 78.4 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.7 | -46.2 | 175.8 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | W825 I866 M867 Y873 I874 I923 L927 | W825-C870 VanDerWaalsContact CH2-SG 3.55Å; I866-C870 WeakPolarHBondContact O-CB 3.37Å; I866-C870 PolarHBondContact O-N 3.27Å; I866-C870 PolarHBondContact O-SG 2.88Å; M867-C870 WeakPolarHBondContact O-CB 3.28Å; M867-C870 PolarHBondContact O-N 3.14Å; C870-Y873 PolarHBondContact O-N 3.11Å; C870-I874 WeakPolarHBondContact O-CB 3.37Å; C870-I874 VanDerWaalsContact O-CG1 3.29Å; C870-I874 WeakPolarHBondContact O-CG1 3.25Å; C870-I874 PolarHBondContact O-N 3.18Å; C870-I923 HydrophobicContact CB-CG2 3.85Å; C870-I923 WeakPolarHBondContact O-CG2 3.49Å; C870-L927 HydrophobicContact CB-CB 4.34Å; C870-L927 HydrophobicContact CB-CD1 4.03Å; C870-L927 HydrophobicContact CB-CD2 3.94Å; C870-L927 HydrophobicContact CB-CG 4.33Å |
| 871 | Y | 81.5 | Confident | 79.1 | Confident | 114 Ų | 114 | 56.6 Ų | 56.6 | 45% | 0.447 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 177 | 179.4 | -107.9 | 0 | 0 | 0 | 112.3 | M867 K868 L869 Y873 I874 K875 | M867-Y871 WeakPolarHBondContact O-CB 3.44Å; M867-Y871 PolarHBondContact O-N 3.16Å; K868-Y871 PolarHBondContact O-N 3.11Å; L869-Y871 VanDerWaalsContact C-N 3.3Å; L869-Y871 PolarHBondContact O-N 3.11Å; Y871-Y873 VanDerWaalsContact C-N 3.35Å; Y871-Y873 PolarHBondContact O-N 3.16Å; Y871-I874 PolarHBondContact O-N 2.86Å; Y871-K875 HydrophobicContact CE1-CB 4.45Å; Y871-K875 HydrophobicContact CE1-CD 4Å; Y871-K875 VanDerWaalsContact O-CB 3.29Å; Y871-K875 WeakPolarHBondContact O-CB 3.43Å; Y871-K875 PolarHBondContact O-N 3.3Å; Y871-K875 PolarHBondContact OH-NZ 3.24Å |
| 872 | A | 84.6 | Confident | 79.6 | Confident | 54.75 Ų | 54.75 | 54.5 Ų | 54.5 | 45% | 0.452 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K868 L869 K875 R876 | K868-A872 WeakPolarHBondContact O-CB 3.37Å; K868-A872 PolarHBondContact O-N 3.28Å; L869-A872 PolarHBondContact O-N 3.25Å; A872-K875 PolarHBondContact O-N 3.28Å; A872-R876 WeakPolarHBondContact O-CB 3.34Å; A872-R876 PolarHBondContact O-N 3.12Å |
| 873 | Y | 84.5 | Confident | 80.1 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 175.9 | -73.3 | -64 | 0 | 0 | 0 | 112.6 | W825 L829 L869 C870 Y871 K875 R876 D877 | W825-Y873 HydrophobicContact CB-CE1 4.39Å; W825-Y873 HydrophobicContact CB-CE2 3.95Å; W825-Y873 WeakPolarHBondContact CB-OH 3.31Å; W825-Y873 AromaticContact CD1-CE2 3.8Å; W825-Y873 AromaticContact CD2-CD2 3.84Å; W825-Y873 HydrophobicContact CD2-CD2 3.88Å; W825-Y873 AromaticContact CD2-CE2 3.4Å; W825-Y873 HydrophobicContact CD2-CE2 3.4Å; W825-Y873 VanDerWaalsContact CD2-CE2 3.42Å; W825-Y873 AromaticContact CD2-CZ 3.99Å; W825-Y873 AromaticContact CE2-CE2 3.78Å; W825-Y873 AromaticContact CE3-CD2 3.77Å; W825-Y873 HydrophobicContact CE3-CD2 3.77Å; W825-Y873 AromaticContact CE3-CE2 3.78Å; W825-Y873 HydrophobicContact CE3-CE2 3.78Å; W825-Y873 HydrophobicContact CE3-CG 4.48Å; W825-Y873 HydrophobicContact CG-CD2 4.26Å; W825-Y873 AromaticContact CG-CE2 3.46Å; W825-Y873 HydrophobicContact CG-CE2 3.46Å; W825-Y873 VanDerWaalsContact CG-CE2 3.47Å; W825-Y873 AromaticContact CG-CZ 3.74Å; W825-Y873 HydrophobicContact CH2-CD2 4.37Å; W825-Y873 HydrophobicContact CH2-CE2 4.35Å; W825-Y873 HydrophobicContact CZ2-CE2 4.31Å; W825-Y873 AromaticContact CZ3-CD2 3.88Å; W825-Y873 HydrophobicContact CZ3-CD2 4.1Å; W825-Y873 HydrophobicContact CZ3-CE2 4.34Å; W825-Y873 AromaticContact NE1-CE2 3.94Å; L829-Y873 HydrophobicContact CD1-CD1 3.92Å; L829-Y873 HydrophobicContact CD1-CE1 4.09Å; L829-Y873 HydrophobicContact CD1-CG 4.35Å; L869-Y873 HydrophobicContact CB-CE2 4.35Å; L869-Y873 HydrophobicContact CD2-CE2 4.29Å; L869-Y873 WeakPolarHBondContact O-CD2 3.35Å; L869-Y873 PolarHBondContact O-N 3.06Å; C870-Y873 PolarHBondContact O-N 3.11Å; Y871-Y873 VanDerWaalsContact C-N 3.35Å; Y871-Y873 PolarHBondContact O-N 3.16Å; Y873-K875 PolarHBondContact O-N 2.78Å; Y873-R876 PolarHBondContact O-N 3.06Å; Y873-D877 PolarHBondContact O-N 3.16Å |
| 874 | I | 83.8 | Confident | 80.2 | Confident | 26.5 Ų | 26.5 | 56.6 Ų | 56.6 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 174.8 | -70.8 | 166 | 0 | 0 | 0 | 110.1 | C870 Y871 R876 D877 Y878 I920 I923 L924 L927 | C870-I874 WeakPolarHBondContact O-CB 3.37Å; C870-I874 VanDerWaalsContact O-CG1 3.29Å; C870-I874 WeakPolarHBondContact O-CG1 3.25Å; C870-I874 PolarHBondContact O-N 3.18Å; Y871-I874 PolarHBondContact O-N 2.86Å; I874-R876 VanDerWaalsContact C-N 3.34Å; I874-R876 PolarHBondContact O-N 3.27Å; I874-D877 PolarHBondContact O-N 3Å; I874-Y878 WeakPolarHBondContact O-CA 3.49Å; I874-Y878 VanDerWaalsContact O-CB 3.23Å; I874-Y878 WeakPolarHBondContact O-CB 3.35Å; I874-Y878 PolarHBondContact O-N 2.99Å; I874-I920 HydrophobicContact CG2-CG2 4.48Å; I874-I923 HydrophobicContact CD1-CB 4.28Å; I874-I923 HydrophobicContact CD1-CG2 3.83Å; I874-I923 HydrophobicContact CG1-CB 3.9Å; I874-I923 HydrophobicContact CG1-CD1 3.96Å; I874-I923 HydrophobicContact CG1-CG1 4.39Å; I874-I923 HydrophobicContact CG1-CG2 3.71Å; I874-L924 HydrophobicContact CD1-CD2 3.85Å; I874-L924 HydrophobicContact CD1-CG 4.3Å; I874-L927 HydrophobicContact CD1-CD2 3.74Å |
| 875 | K | 84.6 | Confident | 80.2 | Confident | 101.25 Ų | 101.25 | 55.5 Ų | 55.5 | 44% | 0.44 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 178.5 | -173.7 | 171.9 | -175.6 | 170.3 | 0 | 112 | Y871 A872 Y873 N879 | Y871-K875 HydrophobicContact CE1-CB 4.45Å; Y871-K875 HydrophobicContact CE1-CD 4Å; Y871-K875 VanDerWaalsContact O-CB 3.29Å; Y871-K875 WeakPolarHBondContact O-CB 3.43Å; Y871-K875 PolarHBondContact O-N 3.3Å; Y871-K875 PolarHBondContact OH-NZ 3.24Å; A872-K875 PolarHBondContact O-N 3.28Å; Y873-K875 PolarHBondContact O-N 2.78Å; K875-N879 WeakPolarHBondContact O-CB 3.25Å; K875-N879 VanDerWaalsContact O-CG 3.24Å; K875-N879 PolarHBondContact O-N 3.01Å; K875-N879 PolarHBondContact O-ND2 3.16Å; K875-N879 PolarHBondContact O-OD1 2.99Å; K875-N879 VanDerWaalsContact O-OD1 3.13Å |
| 876 | R | 85.2 | Confident | 80 | Confident | 91.25 Ų | 91.25 | 57.6 Ų | 57.6 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.6 | -50.8 | 175.5 | -171.5 | -166.8 | 59.3 | 74.3 | 10.8 | 111.5 | Y830 A872 Y873 I874 Y878 N879 E880 | Y830-R876 PolarHBondContact OH-NH2 2.88Å; Y830-R876 VanDerWaalsContact OH-NH2 3.14Å; A872-R876 WeakPolarHBondContact O-CB 3.34Å; A872-R876 PolarHBondContact O-N 3.12Å; Y873-R876 PolarHBondContact O-N 3.06Å; I874-R876 VanDerWaalsContact C-N 3.34Å; I874-R876 PolarHBondContact O-N 3.27Å; R876-Y878 VanDerWaalsContact C-N 3.32Å; R876-Y878 PolarHBondContact O-N 3.14Å; R876-N879 PolarHBondContact O-N 3.13Å; R876-E880 IonicContact NH1-OE2 3.18Å; R876-E880 PolarHBondContact NH1-OE2 3.27Å; R876-E880 VanDerWaalsContact O-CB 3.26Å; R876-E880 WeakPolarHBondContact O-CB 3.31Å; R876-E880 PolarHBondContact O-N 3.17Å; R876-E880 VanDerWaalsContact O-N 3.07Å |
| 877 | D | 82 | Confident | 79.5 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.4 | -32.7 | -179.3 | -75.4 | -21 | 0 | 0 | 0 | 112.5 | Y873 I874 E880 L881 T916 R919 I920 I923 | Y873-D877 PolarHBondContact O-N 3.16Å; I874-D877 PolarHBondContact O-N 3Å; D877-E880 WeakPolarHBondContact O-CB 3.35Å; D877-E880 PolarHBondContact O-N 3.43Å; D877-L881 VanDerWaalsContact O-CB 3.29Å; D877-L881 WeakPolarHBondContact O-CB 3.27Å; D877-L881 PolarHBondContact O-N 3.01Å; D877-L881 VanDerWaalsContact O-N 3.1Å; D877-T916 HydrophobicContact CB-CG2 3.84Å; D877-T916 WeakPolarHBondContact O-CG2 3.32Å; D877-R919 VanDerWaalsContact CG-NE 3.3Å; D877-R919 WeakPolarHBondContact OD1-CD 3.4Å; D877-R919 IonicContact OD1-CZ 3.15Å; D877-R919 IonicContact OD1-NE 2.7Å; D877-R919 PolarHBondContact OD1-NE 3.12Å; D877-R919 IonicContact OD1-NH1 3.71Å; D877-R919 PolarHBondContact OD1-NH1 2.84Å; D877-R919 IonicContact OD1-NH2 3.31Å; D877-R919 PolarHBondContact OD1-NH2 3.06Å; D877-R919 VanDerWaalsContact OD2-CB 3.27Å; D877-R919 WeakPolarHBondContact OD2-CB 3.39Å; D877-R919 WeakPolarHBondContact OD2-CD 3.46Å; D877-R919 IonicContact OD2-CZ 2.69Å; D877-R919 IonicContact OD2-NE 3Å; D877-R919 PolarHBondContact OD2-NE 3.05Å; D877-I920 HydrophobicContact CB-CD1 4.12Å; D877-I920 HydrophobicContact CB-CG1 3.67Å; D877-I923 WeakPolarHBondContact OD2-CD1 3.11Å |
| 878 | Y | 81.1 | Confident | 78.5 | Confident | 92.25 Ų | 92.25 | 64.3 Ų | 64.3 | 36% | 0.362 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 174.1 | 179 | -104.7 | 0 | 0 | 0 | 112.1 | I874 R876 E880 L881 I882 | I874-Y878 WeakPolarHBondContact O-CA 3.49Å; I874-Y878 VanDerWaalsContact O-CB 3.23Å; I874-Y878 WeakPolarHBondContact O-CB 3.35Å; I874-Y878 PolarHBondContact O-N 2.99Å; R876-Y878 VanDerWaalsContact C-N 3.32Å; R876-Y878 PolarHBondContact O-N 3.14Å; Y878-E880 VanDerWaalsContact C-N 3.32Å; Y878-E880 PolarHBondContact O-N 3.15Å; Y878-L881 WeakPolarHBondContact O-CB 3.44Å; Y878-L881 PolarHBondContact O-N 3.19Å; Y878-I882 HydrophobicContact CD1-CD1 3.9Å; Y878-I882 HydrophobicContact CD1-CG1 4.47Å; Y878-I882 HydrophobicContact CD2-CD1 4.41Å; Y878-I882 HydrophobicContact CE1-CD1 3.32Å; Y878-I882 HydrophobicContact CE1-CG1 4.21Å; Y878-I882 HydrophobicContact CE2-CD1 4.18Å; Y878-I882 HydrophobicContact CE2-CG1 4.45Å; Y878-I882 VanDerWaalsContact CZ-CD1 3.47Å; Y878-I882 WeakPolarHBondContact O-CB 3.39Å; Y878-I882 WeakPolarHBondContact O-CG1 3.29Å; Y878-I882 PolarHBondContact O-N 3.18Å |
| 879 | N | 82.6 | Confident | 77.4 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 174.7 | -72 | 9.4 | 0 | 0 | 0 | 111.8 | K875 R876 L881 I882 S883 | K875-N879 WeakPolarHBondContact O-CB 3.25Å; K875-N879 VanDerWaalsContact O-CG 3.24Å; K875-N879 PolarHBondContact O-N 3.01Å; K875-N879 PolarHBondContact O-ND2 3.16Å; K875-N879 PolarHBondContact O-OD1 2.99Å; K875-N879 VanDerWaalsContact O-OD1 3.13Å; R876-N879 PolarHBondContact O-N 3.13Å; N879-L881 VanDerWaalsContact C-N 3.31Å; N879-L881 PolarHBondContact O-N 3.24Å; N879-I882 PolarHBondContact O-N 3.19Å; N879-S883 VanDerWaalsContact O-CB 3.22Å; N879-S883 WeakPolarHBondContact O-CB 3.31Å; N879-S883 PolarHBondContact O-N 3.16Å; N879-S883 PolarHBondContact O-OG 3.04Å |
| 880 | E | 81.1 | Confident | 76.1 | Confident | 67.25 Ų | 67.25 | 65.7 Ų | 65.7 | 31% | 0.314 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 173.6 | -171.3 | -175.8 | 143.3 | 0 | 0 | 111.4 | R876 D877 Y878 S883 S884 T916 R919 | R876-E880 IonicContact NH1-OE2 3.18Å; R876-E880 PolarHBondContact NH1-OE2 3.27Å; R876-E880 VanDerWaalsContact O-CB 3.26Å; R876-E880 WeakPolarHBondContact O-CB 3.31Å; R876-E880 PolarHBondContact O-N 3.17Å; R876-E880 VanDerWaalsContact O-N 3.07Å; D877-E880 WeakPolarHBondContact O-CB 3.35Å; D877-E880 PolarHBondContact O-N 3.43Å; Y878-E880 VanDerWaalsContact C-N 3.32Å; Y878-E880 PolarHBondContact O-N 3.15Å; E880-S883 WeakPolarHBondContact O-CB 3.41Å; E880-S883 PolarHBondContact O-N 3.12Å; E880-S883 PolarHBondContact O-OG 2.64Å; E880-S884 WeakPolarHBondContact O-CB 3.33Å; E880-S884 PolarHBondContact O-N 3.12Å; E880-S884 VanDerWaalsContact O-N 3.15Å; E880-S884 PolarHBondContact O-OG 3.39Å; E880-T916 HydrophobicContact CB-CG2 4.38Å; E880-T916 HydrophobicContact CG-CG2 4.47Å; E880-R919 IonicContact OE1-CZ 2.86Å; E880-R919 IonicContact OE1-NH1 3.14Å; E880-R919 PolarHBondContact OE1-NH1 3.11Å; E880-R919 VanDerWaalsContact OE1-NH1 3.15Å; E880-R919 IonicContact OE1-NH2 3.33Å; E880-R919 PolarHBondContact OE1-NH2 2.89Å; E880-R919 IonicContact OE2-CZ 3.11Å; E880-R919 IonicContact OE2-NH1 3.01Å; E880-R919 PolarHBondContact OE2-NH1 3.11Å; E880-R919 IonicContact OE2-NH2 3.2Å; E880-R919 PolarHBondContact OE2-NH2 3.11Å |
| 881 | L | 78.1 | Confident | 74.3 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 175.4 | -175.7 | 130.1 | 0 | 0 | 0 | 112.2 | D877 Y878 N879 S884 I885 K913 T916 F917 I920 | D877-L881 VanDerWaalsContact O-CB 3.29Å; D877-L881 WeakPolarHBondContact O-CB 3.27Å; D877-L881 PolarHBondContact O-N 3.01Å; D877-L881 VanDerWaalsContact O-N 3.1Å; Y878-L881 WeakPolarHBondContact O-CB 3.44Å; Y878-L881 PolarHBondContact O-N 3.19Å; N879-L881 VanDerWaalsContact C-N 3.31Å; N879-L881 PolarHBondContact O-N 3.24Å; L881-S884 CarbonylContact O-C 3.39Å; L881-S884 WeakPolarHBondContact O-CB 3.46Å; L881-S884 PolarHBondContact O-N 2.94Å; L881-S884 VanDerWaalsContact O-N 3.13Å; L881-I885 HydrophobicContact CD2-CD1 3.83Å; L881-I885 HydrophobicContact CG-CD1 4.3Å; L881-I885 WeakPolarHBondContact O-CG1 3.32Å; L881-I885 PolarHBondContact O-N 3.12Å; L881-I885 VanDerWaalsContact O-N 3.1Å; L881-K913 HydrophobicContact CD1-CB 4.4Å; L881-K913 HydrophobicContact CD1-CG 3.91Å; L881-T916 HydrophobicContact CB-CG2 3.91Å; L881-F917 HydrophobicContact CD2-CE1 4.26Å; L881-F917 HydrophobicContact CD2-CE2 4.43Å; L881-F917 HydrophobicContact CD2-CZ 3.96Å; L881-I920 HydrophobicContact CD1-CD1 4.4Å |
| 882 | I | 78.4 | Confident | 72.4 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.5 | -50.3 | 174.6 | -75.6 | 179.3 | 0 | 0 | 0 | 110.5 | Y878 N879 S884 I885 E886 | Y878-I882 HydrophobicContact CD1-CD1 3.9Å; Y878-I882 HydrophobicContact CD1-CG1 4.47Å; Y878-I882 HydrophobicContact CD2-CD1 4.41Å; Y878-I882 HydrophobicContact CE1-CD1 3.32Å; Y878-I882 HydrophobicContact CE1-CG1 4.21Å; Y878-I882 HydrophobicContact CE2-CD1 4.18Å; Y878-I882 HydrophobicContact CE2-CG1 4.45Å; Y878-I882 VanDerWaalsContact CZ-CD1 3.47Å; Y878-I882 WeakPolarHBondContact O-CB 3.39Å; Y878-I882 WeakPolarHBondContact O-CG1 3.29Å; Y878-I882 PolarHBondContact O-N 3.18Å; N879-I882 PolarHBondContact O-N 3.19Å; I882-S884 PolarHBondContact O-N 3Å; I882-S884 VanDerWaalsContact O-N 3.14Å; I882-I885 CarbonylContact O-C 3.38Å; I882-I885 WeakPolarHBondContact O-CA 3.25Å; I882-I885 WeakPolarHBondContact O-CB 3.36Å; I882-I885 PolarHBondContact O-N 3.28Å; I882-E886 VanDerWaalsContact CG2-CD 3.43Å; I882-E886 HydrophobicContact CG2-CG 3.98Å; I882-E886 WeakPolarHBondContact CG2-OE1 3.43Å; I882-E886 WeakPolarHBondContact O-CG 3.32Å; I882-E886 PolarHBondContact O-N 3.25Å |
| 883 | S | 77.6 | Confident | 70.5 | Confident | 46 Ų | 46 | 73 Ų | 73 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.5 | -27.4 | 179.5 | -77.1 | 0 | 0 | 0 | 0 | 112.7 | N879 E880 I885 E886 K887 | N879-S883 VanDerWaalsContact O-CB 3.22Å; N879-S883 WeakPolarHBondContact O-CB 3.31Å; N879-S883 PolarHBondContact O-N 3.16Å; N879-S883 PolarHBondContact O-OG 3.04Å; E880-S883 WeakPolarHBondContact O-CB 3.41Å; E880-S883 PolarHBondContact O-N 3.12Å; E880-S883 PolarHBondContact O-OG 2.64Å; S883-I885 VanDerWaalsContact C-N 3.29Å; S883-I885 PolarHBondContact O-N 3.38Å; S883-E886 WeakPolarHBondContact CA-OE2 3.34Å; S883-E886 PolarHBondContact OG-OE2 2.62Å; S883-K887 VanDerWaalsContact O-CB 3.27Å; S883-K887 WeakPolarHBondContact O-CB 3.33Å; S883-K887 VanDerWaalsContact O-CD 3.28Å; S883-K887 WeakPolarHBondContact O-CD 3.45Å; S883-K887 VanDerWaalsContact O-CG 3.23Å; S883-K887 WeakPolarHBondContact O-CG 3.29Å; S883-K887 PolarHBondContact O-N 3.01Å; S883-K887 VanDerWaalsContact O-N 3.11Å; S883-K887 WeakPolarHBondContact OG-CE 3.4Å |
| 884 | S | 72.3 | Confident | 68.3 | Low | 33.25 Ų | 33.25 | 76.9 Ų | 76.9 | 23% | 0.233 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -75.3 | -23.8 | 172.6 | -62.8 | 0 | 0 | 0 | 0 | 113.1 | E880 L881 I882 Q888 | E880-S884 WeakPolarHBondContact O-CB 3.33Å; E880-S884 PolarHBondContact O-N 3.12Å; E880-S884 VanDerWaalsContact O-N 3.15Å; E880-S884 PolarHBondContact O-OG 3.39Å; L881-S884 CarbonylContact O-C 3.39Å; L881-S884 WeakPolarHBondContact O-CB 3.46Å; L881-S884 PolarHBondContact O-N 2.94Å; L881-S884 VanDerWaalsContact O-N 3.13Å; I882-S884 PolarHBondContact O-N 3Å; I882-S884 VanDerWaalsContact O-N 3.14Å; S884-Q888 WeakPolarHBondContact O-CG 3.39Å; S884-Q888 PolarHBondContact O-N 3.31Å |
| 885 | I | 71.9 | Confident | 66 | Low | 67 Ų | 67 | 83.3 Ų | 83.3 | 34% | 0.344 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -85 | -45.8 | 174.5 | -67.1 | 168 | 0 | 0 | 0 | 110.4 | L881 I882 S883 K887 Q888 T889 | L881-I885 HydrophobicContact CD2-CD1 3.83Å; L881-I885 HydrophobicContact CG-CD1 4.3Å; L881-I885 WeakPolarHBondContact O-CG1 3.32Å; L881-I885 PolarHBondContact O-N 3.12Å; L881-I885 VanDerWaalsContact O-N 3.1Å; I882-I885 CarbonylContact O-C 3.38Å; I882-I885 WeakPolarHBondContact O-CA 3.25Å; I882-I885 WeakPolarHBondContact O-CB 3.36Å; I882-I885 PolarHBondContact O-N 3.28Å; S883-I885 VanDerWaalsContact C-N 3.29Å; S883-I885 PolarHBondContact O-N 3.38Å; I885-K887 VanDerWaalsContact C-N 3.34Å; I885-K887 PolarHBondContact O-N 3.07Å; I885-Q888 CarbonylContact O-C 3.57Å; I885-Q888 WeakPolarHBondContact O-CA 3.46Å; I885-Q888 VanDerWaalsContact O-CB 3.3Å; I885-Q888 WeakPolarHBondContact O-CB 3.38Å; I885-Q888 PolarHBondContact O-N 3.28Å; I885-T889 HydrophobicContact CG2-CG2 4.39Å; I885-T889 PolarHBondContact O-N 3.02Å; I885-T889 VanDerWaalsContact O-N 3.11Å |
| 886 | E | 71.3 | Confident | 63.6 | Low | 103 Ų | 103 | 83.3 Ų | 83.3 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 178.4 | -68.6 | 173.8 | 158.7 | 0 | 0 | 112.4 | I882 S883 Q888 T889 N890 | I882-E886 VanDerWaalsContact CG2-CD 3.43Å; I882-E886 HydrophobicContact CG2-CG 3.98Å; I882-E886 WeakPolarHBondContact CG2-OE1 3.43Å; I882-E886 WeakPolarHBondContact O-CG 3.32Å; I882-E886 PolarHBondContact O-N 3.25Å; S883-E886 WeakPolarHBondContact CA-OE2 3.34Å; S883-E886 PolarHBondContact OG-OE2 2.62Å; E886-Q888 VanDerWaalsContact C-N 3.26Å; E886-Q888 PolarHBondContact O-N 3.15Å; E886-T889 WeakPolarHBondContact CA-OG1 3.27Å; E886-T889 PolarHBondContact O-N 3.15Å; E886-T889 PolarHBondContact O-OG1 3.11Å; E886-N890 VanDerWaalsContact O-CB 3.24Å; E886-N890 WeakPolarHBondContact O-CB 3.31Å; E886-N890 VanDerWaalsContact O-CG 3.28Å; E886-N890 PolarHBondContact O-N 3.24Å; E886-N890 VanDerWaalsContact O-N 3.12Å; E886-N890 PolarHBondContact O-OD1 2.94Å |
| 887 | K | 66.9 | Low | 61.3 | Low | 146 Ų | 146 | 85.1 Ų | 85.1 | 64% | 0.635 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -26.4 | 172.8 | -75.6 | 173.2 | -175 | 175.7 | 0 | 112.8 | S883 I885 N890 C891 | S883-K887 VanDerWaalsContact O-CB 3.27Å; S883-K887 WeakPolarHBondContact O-CB 3.33Å; S883-K887 VanDerWaalsContact O-CD 3.28Å; S883-K887 WeakPolarHBondContact O-CD 3.45Å; S883-K887 VanDerWaalsContact O-CG 3.23Å; S883-K887 WeakPolarHBondContact O-CG 3.29Å; S883-K887 PolarHBondContact O-N 3.01Å; S883-K887 VanDerWaalsContact O-N 3.11Å; S883-K887 WeakPolarHBondContact OG-CE 3.4Å; I885-K887 VanDerWaalsContact C-N 3.34Å; I885-K887 PolarHBondContact O-N 3.07Å; K887-N890 PolarHBondContact O-N 2.86Å; K887-C891 PolarHBondContact O-N 3.13Å; K887-C891 PolarHBondContact O-SG 3.1Å; K887-C891 VanDerWaalsContact O-SG 3.36Å |
| 888 | Q | 56.5 | Low | 58.9 | Low | 54.75 Ų | 54.75 | 90.1 Ų | 90.1 | 26% | 0.256 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -79.2 | -46.4 | 175.6 | -117.8 | 174.6 | -18.7 | 0 | 0 | 111.2 | S884 I885 E886 N890 C891 E892 L906 C908 K913 | S884-Q888 WeakPolarHBondContact O-CG 3.39Å; S884-Q888 PolarHBondContact O-N 3.31Å; I885-Q888 CarbonylContact O-C 3.57Å; I885-Q888 WeakPolarHBondContact O-CA 3.46Å; I885-Q888 VanDerWaalsContact O-CB 3.3Å; I885-Q888 WeakPolarHBondContact O-CB 3.38Å; I885-Q888 PolarHBondContact O-N 3.28Å; E886-Q888 VanDerWaalsContact C-N 3.26Å; E886-Q888 PolarHBondContact O-N 3.15Å; Q888-N890 VanDerWaalsContact C-N 3.31Å; Q888-N890 PolarHBondContact O-N 3.19Å; Q888-C891 PolarHBondContact O-N 3.16Å; Q888-E892 PolarHBondContact O-N 3.08Å; Q888-L906 PolarHBondContact NE2-O 3.02Å; Q888-C908 VanDerWaalsContact CD-SG 3.54Å; Q888-C908 HydrophobicContact CG-CB 3.86Å; Q888-C908 PolarHBondContact NE2-SG 2.88Å; Q888-C908 VanDerWaalsContact NE2-SG 3.39Å; Q888-C908 PolarHBondContact OE1-SG 2.85Å; Q888-K913 VanDerWaalsContact OE1-CE 3.26Å |
| 889 | T | 56.8 | Low | 56.7 | Low | 74 Ų | 74 | 90.9 Ų | 90.9 | 45% | 0.454 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -32 | 179 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | I885 E886 C891 | I885-T889 HydrophobicContact CG2-CG2 4.39Å; I885-T889 PolarHBondContact O-N 3.02Å; I885-T889 VanDerWaalsContact O-N 3.11Å; E886-T889 WeakPolarHBondContact CA-OG1 3.27Å; E886-T889 PolarHBondContact O-N 3.15Å; E886-T889 PolarHBondContact O-OG1 3.11Å; T889-C891 VanDerWaalsContact C-N 3.3Å; T889-C891 PolarHBondContact O-N 3.2Å |
| 890 | N | 54.1 | Low | 54.2 | Low | 116.75 Ų | 116.75 | 92.7 Ų | 92.7 | 62% | 0.624 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -79.6 | -14.9 | -179.6 | -67.3 | -4.6 | 0 | 0 | 0 | 113.6 | E886 K887 Q888 E892 A893 | E886-N890 VanDerWaalsContact O-CB 3.24Å; E886-N890 WeakPolarHBondContact O-CB 3.31Å; E886-N890 VanDerWaalsContact O-CG 3.28Å; E886-N890 PolarHBondContact O-N 3.24Å; E886-N890 VanDerWaalsContact O-N 3.12Å; E886-N890 PolarHBondContact O-OD1 2.94Å; K887-N890 PolarHBondContact O-N 2.86Å; Q888-N890 VanDerWaalsContact C-N 3.31Å; Q888-N890 PolarHBondContact O-N 3.19Å; N890-E892 VanDerWaalsContact C-N 3.29Å; N890-E892 PolarHBondContact O-N 2.94Å; N890-A893 PolarHBondContact O-N 3.3Å |
| 891 | C | 45.3 | Very low | 51.9 | Low | 82.75 Ų | 82.75 | 94.5 Ų | 94.5 | 56% | 0.559 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -85.2 | -18.5 | 175.8 | -72.7 | 0 | 0 | 0 | 0 | 113.5 | K887 Q888 T889 A893 L906 | K887-C891 PolarHBondContact O-N 3.13Å; K887-C891 PolarHBondContact O-SG 3.1Å; K887-C891 VanDerWaalsContact O-SG 3.36Å; Q888-C891 PolarHBondContact O-N 3.16Å; T889-C891 VanDerWaalsContact C-N 3.3Å; T889-C891 PolarHBondContact O-N 3.2Å; C891-A893 VanDerWaalsContact C-N 3.26Å; C891-A893 PolarHBondContact O-N 2.97Å; C891-L906 HydrophobicContact CB-CD1 4.29Å; C891-L906 HydrophobicContact CB-CD2 3.99Å |
| 892 | E | 42.2 | Very low | 49.6 | Very low | 159 Ų | 159 | 98.2 Ų | 98.2 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -10.9 | 178.3 | -66.1 | -179.6 | 158 | 0 | 0 | 113 | Q888 N890 | Q888-E892 PolarHBondContact O-N 3.08Å; N890-E892 VanDerWaalsContact C-N 3.29Å; N890-E892 PolarHBondContact O-N 2.94Å |
| 893 | A | 43.8 | Very low | 47.4 | Very low | 81 Ų | 81 | 101.8 Ų | 101.8 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -4.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | N890 C891 | N890-A893 PolarHBondContact O-N 3.3Å; C891-A893 VanDerWaalsContact C-N 3.26Å; C891-A893 PolarHBondContact O-N 2.97Å |
| 894 | T | 38.7 | Very low | 45.2 | Very low | 117.75 Ų | 117.75 | 105.7 Ų | 105.7 | 72% | 0.722 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -133.6 | 52 | -178.5 | 48.4 | 0 | 0 | 0 | 0 | 114.7 | S896 | T894-S896 PolarHBondContact O-N 2.86Š|
| 895 | L | 34.9 | Very low | 43.3 | Very low | 159.25 Ų | 159.25 | 108.6 Ų | 108.6 | 83% | 0.834 | 66% | 0.662 | S | S | * | * | trans | -75.1 | 100.3 | 161.5 | -72.9 | 169.3 | 0 | 0 | 0 | 111.8 | ||||
| 896 | S | 34.5 | Very low | 41.4 | Very low | 102 Ų | 102 | 111.4 Ų | 111.4 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | trans | -80.6 | 138 | 148.5 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | T894 S898 | T894-S896 PolarHBondContact O-N 2.86Å; S896-S898 PolarHBondContact O-N 3.15Å | ||
| 897 | P | 37.2 | Very low | 39.7 | Very low | 130 Ų | 130 | 110.8 Ų | 110.8 | 84% | 0.844 | 69% | 0.685 | S | S | * | * | trans | -85.8 | 115.8 | -162.2 | 32.5 | -35.3 | 0 | 0 | 0 | 113.6 | ||||
| 898 | S | 31.6 | Very low | 38.4 | Very low | 105 Ų | 105 | 106.4 Ų | 106.4 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | trans | -174.7 | 125.4 | 164.6 | 60.7 | 0 | 0 | 0 | 0 | 115.7 | S896 | S896-S898 PolarHBondContact O-N 3.15Š| ||
| 899 | S | 34.3 | Very low | 38 | Very low | 107.75 Ų | 107.75 | 108 Ų | 108 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | trans | 79.4 | 100.6 | 157.7 | 47.5 | 0 | 0 | 0 | 0 | 117.7 | S901 | S899-S901 PolarHBondContact O-N 3.35Š| ||
| 900 | S | 31 | Very low | 38 | Very low | 119.25 Ų | 119.25 | 109.1 Ų | 109.1 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | trans | 16.9 | 115.2 | 143.1 | 62.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 901 | S | 32.9 | Very low | 38.3 | Very low | 106.75 Ų | 106.75 | 110.9 Ų | 110.9 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | trans | -168.1 | 127.7 | 151.6 | 49.9 | 0 | 0 | 0 | 0 | 112 | S899 | S899-S901 PolarHBondContact O-N 3.35Š| ||
| 902 | S | 28.9 | Very low | 39.1 | Very low | 99.5 Ų | 99.5 | 110.9 Ų | 110.9 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | trans | 12.2 | 115.8 | 171.7 | 51.6 | 0 | 0 | 0 | 0 | 118.2 | T904 | S902-T904 VanDerWaalsContact C-N 3.25Å; S902-T904 PolarHBondContact O-N 3.1Å | ||
| 903 | P | 32.8 | Very low | 40.4 | Very low | 126.5 Ų | 126.5 | 106.9 Ų | 106.9 | 82% | 0.821 | 67% | 0.669 | S | S | * | * | trans | -76 | 102.7 | 178 | 32.8 | -34.5 | 0 | 0 | 0 | 111.6 | S905 | P903-S905 PolarHBondContact O-N 3.19Å; P903-S905 VanDerWaalsContact O-N 3.09Å | ||
| 904 | T | 31.2 | Very low | 41.7 | Very low | 129 Ų | 129 | 106.8 Ų | 106.8 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | trans | -87.2 | 91.1 | 164.3 | -18.8 | 0 | 0 | 0 | 0 | 109.8 | S902 L906 | S902-T904 VanDerWaalsContact C-N 3.25Å; S902-T904 PolarHBondContact O-N 3.1Å; T904-L906 PolarHBondContact O-N 3.18Å; T904-L906 VanDerWaalsContact O-N 3.1Å | ||
| 905 | S | 31.9 | Very low | 43.5 | Very low | 93.25 Ų | 93.25 | 103.3 Ų | 103.3 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | trans | -50 | 116.9 | 177.1 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | P903 S907 | P903-S905 PolarHBondContact O-N 3.19Å; P903-S905 VanDerWaalsContact O-N 3.09Å; S905-S907 PolarHBondContact O-N 3.21Å | ||
| 906 | L | 32.1 | Very low | 45.6 | Very low | 126.75 Ų | 126.75 | 95.8 Ų | 95.8 | 66% | 0.664 | 61% | 0.607 | S | S | * | * | trans | -79.5 | 49.8 | 164.7 | -104.9 | 103.6 | 0 | 0 | 0 | 112.7 | Q888 C891 T904 C908 | Q888-L906 PolarHBondContact NE2-O 3.02Å; C891-L906 HydrophobicContact CB-CD1 4.29Å; C891-L906 HydrophobicContact CB-CD2 3.99Å; T904-L906 PolarHBondContact O-N 3.18Å; T904-L906 VanDerWaalsContact O-N 3.1Å; L906-C908 VanDerWaalsContact C-N 3.31Å; L906-C908 PolarHBondContact O-N 3.28Å | ||
| 907 | S | 35.3 | Very low | 47.8 | Very low | 90.5 Ų | 90.5 | 94.7 Ų | 94.7 | 63% | 0.633 | 59% | 0.589 | S | S | * | * | trans | -73.4 | 111.9 | 168 | 74.6 | 0 | 0 | 0 | 0 | 109.7 | S905 D909 | S905-S907 PolarHBondContact O-N 3.21Å; S907-D909 PolarHBondContact O-N 3.12Å; S907-D909 PolarHBondContact OG-OD1 2.9Å | ||
| 908 | C | 40.7 | Very low | 49.9 | Very low | 52.25 Ų | 52.25 | 94.1 Ų | 94.1 | 35% | 0.353 | 57% | 0.573 | S | S | . | * | trans | -68.4 | 119 | 166.4 | -112.9 | 0 | 0 | 0 | 0 | 108.8 | Q888 L906 P910 K913 | Q888-C908 VanDerWaalsContact CD-SG 3.54Å; Q888-C908 HydrophobicContact CG-CB 3.86Å; Q888-C908 PolarHBondContact NE2-SG 2.88Å; Q888-C908 VanDerWaalsContact NE2-SG 3.39Å; Q888-C908 PolarHBondContact OE1-SG 2.85Å; L906-C908 VanDerWaalsContact C-N 3.31Å; L906-C908 PolarHBondContact O-N 3.28Å; C908-P910 VanDerWaalsContact O-CD 3.25Å; C908-P910 WeakPolarHBondContact O-CD 3.41Å; C908-K913 HydrophobicContact CB-CD 4.3Å; C908-K913 WeakPolarHBondContact SG-CE 3.23Å | ||
| 909 | D | 47.5 | Very low | 52.5 | Low | 88.25 Ų | 88.25 | 90 Ų | 90 | 47% | 0.472 | 54% | 0.542 | S | S | . | . | trans | -54.8 | 119.5 | -171.4 | -85.2 | -38 | 0 | 0 | 0 | 111.6 | S907 E911 I912 K913 | S907-D909 PolarHBondContact O-N 3.12Å; S907-D909 PolarHBondContact OG-OD1 2.9Å; D909-E911 HydrophobicContact CB-CB 4.47Å; D909-E911 PolarHBondContact O-N 3.05Å; D909-E911 VanDerWaalsContact O-N 3.13Å; D909-I912 HydrophobicContact CB-CD1 4.08Å; D909-I912 HydrophobicContact CB-CG1 4.12Å; D909-I912 WeakPolarHBondContact O-CB 3.19Å; D909-I912 PolarHBondContact O-N 2.97Å; D909-K913 PolarHBondContact O-N 3.09Å | ||
| 910 | P | 57.9 | Low | 54.8 | Low | 97.75 Ų | 97.75 | 85.6 Ų | 85.6 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -22.1 | -179.3 | 25.3 | -33.7 | 0 | 0 | 0 | 111.8 | C908 I912 K913 S914 | C908-P910 VanDerWaalsContact O-CD 3.25Å; C908-P910 WeakPolarHBondContact O-CD 3.41Å; P910-I912 VanDerWaalsContact C-N 3.32Å; P910-I912 PolarHBondContact O-N 3.11Å; P910-K913 PolarHBondContact O-N 2.99Å; P910-S914 VanDerWaalsContact O-CB 3.24Å; P910-S914 WeakPolarHBondContact O-CB 3.42Å; P910-S914 PolarHBondContact O-N 3.14Å |
| 911 | E | 59.8 | Low | 57.4 | Low | 154.75 Ų | 154.75 | 82.4 Ų | 82.4 | 72% | 0.723 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.7 | -38.6 | 172.9 | -61.3 | -160.2 | 162.3 | 0 | 0 | 113.2 | D909 S914 A915 | D909-E911 HydrophobicContact CB-CB 4.47Å; D909-E911 PolarHBondContact O-N 3.05Å; D909-E911 VanDerWaalsContact O-N 3.13Å; E911-S914 PolarHBondContact O-N 3.14Å; E911-A915 VanDerWaalsContact O-CB 3.27Å; E911-A915 WeakPolarHBondContact O-CB 3.38Å; E911-A915 PolarHBondContact O-N 3.03Å |
| 912 | I | 62.9 | Low | 59.9 | Low | 83.25 Ų | 83.25 | 78.2 Ų | 78.2 | 43% | 0.427 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.4 | -46.2 | -178.5 | -62.5 | 173.6 | 0 | 0 | 0 | 109.9 | D909 P910 S914 A915 T916 | D909-I912 HydrophobicContact CB-CD1 4.08Å; D909-I912 HydrophobicContact CB-CG1 4.12Å; D909-I912 WeakPolarHBondContact O-CB 3.19Å; D909-I912 PolarHBondContact O-N 2.97Å; P910-I912 VanDerWaalsContact C-N 3.32Å; P910-I912 PolarHBondContact O-N 3.11Å; I912-S914 VanDerWaalsContact C-N 3.32Å; I912-S914 PolarHBondContact O-N 2.87Å; I912-A915 PolarHBondContact O-N 3.13Å; I912-T916 WeakPolarHBondContact O-CB 3.37Å; I912-T916 PolarHBondContact O-N 3.29Å; I912-T916 PolarHBondContact O-OG1 3.11Å; I912-T916 VanDerWaalsContact O-OG1 3.14Å |
| 913 | K | 67.6 | Low | 62.6 | Low | 75.25 Ų | 75.25 | 73.5 Ų | 73.5 | 33% | 0.327 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.4 | -66.5 | -172 | 178.8 | 179.1 | 0 | 111.3 | L881 Q888 C908 D909 P910 A915 T916 F917 | L881-K913 HydrophobicContact CD1-CB 4.4Å; L881-K913 HydrophobicContact CD1-CG 3.91Å; Q888-K913 VanDerWaalsContact OE1-CE 3.26Å; C908-K913 HydrophobicContact CB-CD 4.3Å; C908-K913 WeakPolarHBondContact SG-CE 3.23Å; D909-K913 PolarHBondContact O-N 3.09Å; P910-K913 PolarHBondContact O-N 2.99Å; K913-A915 VanDerWaalsContact C-N 3.33Å; K913-A915 PolarHBondContact O-N 3.18Å; K913-T916 WeakPolarHBondContact CA-OG1 3.34Å; K913-T916 PolarHBondContact O-N 3.17Å; K913-T916 PolarHBondContact O-OG1 3.13Å; K913-F917 HydrophobicContact CB-CE2 4.45Å; K913-F917 VanDerWaalsContact O-CB 3.28Å; K913-F917 WeakPolarHBondContact O-CB 3.23Å; K913-F917 WeakPolarHBondContact O-CD2 3.28Å; K913-F917 PolarHBondContact O-N 3.14Å |
| 914 | S | 72.4 | Confident | 65 | Low | 77.25 Ų | 77.25 | 69.6 Ų | 69.6 | 54% | 0.54 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 175.7 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | P910 E911 I912 F917 K918 | P910-S914 VanDerWaalsContact O-CB 3.24Å; P910-S914 WeakPolarHBondContact O-CB 3.42Å; P910-S914 PolarHBondContact O-N 3.14Å; E911-S914 PolarHBondContact O-N 3.14Å; I912-S914 VanDerWaalsContact C-N 3.32Å; I912-S914 PolarHBondContact O-N 2.87Å; S914-F917 PolarHBondContact O-N 3.01Å; S914-K918 VanDerWaalsContact O-CB 3.3Å; S914-K918 WeakPolarHBondContact O-CB 3.41Å; S914-K918 PolarHBondContact O-N 3.19Å |
| 915 | A | 76.6 | Confident | 67.5 | Low | 45 Ų | 45 | 67.4 Ų | 67.4 | 37% | 0.372 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | E911 I912 K913 K918 R919 | E911-A915 VanDerWaalsContact O-CB 3.27Å; E911-A915 WeakPolarHBondContact O-CB 3.38Å; E911-A915 PolarHBondContact O-N 3.03Å; I912-A915 PolarHBondContact O-N 3.13Å; K913-A915 VanDerWaalsContact C-N 3.33Å; K913-A915 PolarHBondContact O-N 3.18Å; A915-K918 WeakPolarHBondContact O-CB 3.41Å; A915-K918 PolarHBondContact O-N 3.25Å; A915-R919 WeakPolarHBondContact O-CG 3.3Å; A915-R919 PolarHBondContact O-N 3.31Å; A915-R919 VanDerWaalsContact O-N 3.1Å; A915-R919 PolarHBondContact O-NE 3.04Å |
| 916 | T | 78.9 | Confident | 70 | Confident | 1.5 Ų | 1.5 | 63 Ų | 63 | 1% | 0.009 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 175.1 | 26.2 | 0 | 0 | 0 | 0 | 111.1 | D877 E880 L881 I912 K913 K918 R919 I920 | D877-T916 HydrophobicContact CB-CG2 3.84Å; D877-T916 WeakPolarHBondContact O-CG2 3.32Å; E880-T916 HydrophobicContact CB-CG2 4.38Å; E880-T916 HydrophobicContact CG-CG2 4.47Å; L881-T916 HydrophobicContact CB-CG2 3.91Å; I912-T916 WeakPolarHBondContact O-CB 3.37Å; I912-T916 PolarHBondContact O-N 3.29Å; I912-T916 PolarHBondContact O-OG1 3.11Å; I912-T916 VanDerWaalsContact O-OG1 3.14Å; K913-T916 WeakPolarHBondContact CA-OG1 3.34Å; K913-T916 PolarHBondContact O-N 3.17Å; K913-T916 PolarHBondContact O-OG1 3.13Å; T916-K918 VanDerWaalsContact C-N 3.33Å; T916-K918 PolarHBondContact O-N 3.1Å; T916-R919 VanDerWaalsContact CG2-NH2 3.25Å; T916-R919 WeakPolarHBondContact O-CB 3.43Å; T916-R919 PolarHBondContact O-N 3.17Å; T916-R919 VanDerWaalsContact O-N 3.1Å; T916-R919 PolarHBondContact OG1-NH2 2.92Å; T916-I920 HydrophobicContact CG2-CD1 4.32Å; T916-I920 WeakPolarHBondContact O-CG1 3.43Å; T916-I920 PolarHBondContact O-N 3.01Å; T916-I920 VanDerWaalsContact O-N 3.14Å |
| 917 | F | 79.7 | Confident | 72.3 | Confident | 80 Ų | 80 | 58 Ų | 58 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 175.9 | -150.9 | -83.2 | 0 | 0 | 0 | 112.4 | L881 K913 S914 R919 I920 L921 | L881-F917 HydrophobicContact CD2-CE1 4.26Å; L881-F917 HydrophobicContact CD2-CE2 4.43Å; L881-F917 HydrophobicContact CD2-CZ 3.96Å; K913-F917 HydrophobicContact CB-CE2 4.45Å; K913-F917 VanDerWaalsContact O-CB 3.28Å; K913-F917 WeakPolarHBondContact O-CB 3.23Å; K913-F917 WeakPolarHBondContact O-CD2 3.28Å; K913-F917 PolarHBondContact O-N 3.14Å; S914-F917 PolarHBondContact O-N 3.01Å; F917-R919 VanDerWaalsContact C-N 3.32Å; F917-R919 PolarHBondContact O-N 3.45Å; F917-I920 PolarHBondContact O-N 3.28Å; F917-L921 HydrophobicContact CE1-CD2 4.47Å; F917-L921 VanDerWaalsContact O-CB 3.28Å; F917-L921 WeakPolarHBondContact O-CB 3.41Å; F917-L921 PolarHBondContact O-N 3.03Å |
| 918 | K | 83 | Confident | 74.4 | Confident | 116.25 Ų | 116.25 | 57.4 Ų | 57.4 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 175.9 | -177.8 | 178.7 | 179.8 | 179.8 | 0 | 112.7 | S914 A915 T916 R922 | S914-K918 VanDerWaalsContact O-CB 3.3Å; S914-K918 WeakPolarHBondContact O-CB 3.41Å; S914-K918 PolarHBondContact O-N 3.19Å; A915-K918 WeakPolarHBondContact O-CB 3.41Å; A915-K918 PolarHBondContact O-N 3.25Å; T916-K918 VanDerWaalsContact C-N 3.33Å; T916-K918 PolarHBondContact O-N 3.1Å; K918-R922 WeakPolarHBondContact O-CB 3.46Å; K918-R922 VanDerWaalsContact O-CD 3.31Å; K918-R922 WeakPolarHBondContact O-CD 3.32Å; K918-R922 VanDerWaalsContact O-CG 3.31Å; K918-R922 WeakPolarHBondContact O-CG 3.45Å; K918-R922 PolarHBondContact O-N 3.34Å; K918-R922 VanDerWaalsContact O-N 3.07Å |
| 919 | R | 85.5 | Confident | 76.2 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.1 | -50.2 | 172.8 | -69.3 | -174.3 | -58 | -136.1 | 1.4 | 111.2 | L829 Y830 D877 E880 A915 T916 F917 L921 R922 I923 | L829-R919 HydrophobicContact CB-CG 4.36Å; L829-R919 HydrophobicContact CD2-CB 4.13Å; L829-R919 HydrophobicContact CD2-CG 4.22Å; Y830-R919 VanDerWaalsContact CE1-CD 3.44Å; Y830-R919 PolarHBondContact OH-NH1 3.04Å; Y830-R919 VanDerWaalsContact OH-NH1 3.13Å; D877-R919 VanDerWaalsContact CG-NE 3.3Å; D877-R919 WeakPolarHBondContact OD1-CD 3.4Å; D877-R919 IonicContact OD1-CZ 3.15Å; D877-R919 IonicContact OD1-NE 2.7Å; D877-R919 PolarHBondContact OD1-NE 3.12Å; D877-R919 IonicContact OD1-NH1 3.71Å; D877-R919 PolarHBondContact OD1-NH1 2.84Å; D877-R919 IonicContact OD1-NH2 3.31Å; D877-R919 PolarHBondContact OD1-NH2 3.06Å; D877-R919 VanDerWaalsContact OD2-CB 3.27Å; D877-R919 WeakPolarHBondContact OD2-CB 3.39Å; D877-R919 WeakPolarHBondContact OD2-CD 3.46Å; D877-R919 IonicContact OD2-CZ 2.69Å; D877-R919 IonicContact OD2-NE 3Å; D877-R919 PolarHBondContact OD2-NE 3.05Å; E880-R919 IonicContact OE1-CZ 2.86Å; E880-R919 IonicContact OE1-NH1 3.14Å; E880-R919 PolarHBondContact OE1-NH1 3.11Å; E880-R919 VanDerWaalsContact OE1-NH1 3.15Å; E880-R919 IonicContact OE1-NH2 3.33Å; E880-R919 PolarHBondContact OE1-NH2 2.89Å; E880-R919 IonicContact OE2-CZ 3.11Å; E880-R919 IonicContact OE2-NH1 3.01Å; E880-R919 PolarHBondContact OE2-NH1 3.11Å; E880-R919 IonicContact OE2-NH2 3.2Å; E880-R919 PolarHBondContact OE2-NH2 3.11Å; A915-R919 WeakPolarHBondContact O-CG 3.3Å; A915-R919 PolarHBondContact O-N 3.31Å; A915-R919 VanDerWaalsContact O-N 3.1Å; A915-R919 PolarHBondContact O-NE 3.04Å; T916-R919 VanDerWaalsContact CG2-NH2 3.25Å; T916-R919 WeakPolarHBondContact O-CB 3.43Å; T916-R919 PolarHBondContact O-N 3.17Å; T916-R919 VanDerWaalsContact O-N 3.1Å; T916-R919 PolarHBondContact OG1-NH2 2.92Å; F917-R919 VanDerWaalsContact C-N 3.32Å; F917-R919 PolarHBondContact O-N 3.45Å; R919-L921 VanDerWaalsContact C-N 3.31Å; R919-L921 PolarHBondContact O-N 3.08Å; R919-R922 WeakPolarHBondContact O-CA 3.27Å; R919-R922 WeakPolarHBondContact O-CB 3.37Å; R919-R922 PolarHBondContact O-N 3.25Å; R919-R922 VanDerWaalsContact O-N 3.11Å; R919-I923 WeakPolarHBondContact O-CD1 3.36Å; R919-I923 WeakPolarHBondContact O-CG1 3.27Å; R919-I923 PolarHBondContact O-N 3.16Å; R919-I923 VanDerWaalsContact O-N 3.11Å |
| 920 | I | 83.1 | Confident | 77.5 | Confident | 15.25 Ų | 15.25 | 54.3 Ų | 54.3 | 8% | 0.078 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56 | -49.2 | 177.2 | -64.8 | 170.2 | 0 | 0 | 0 | 110.5 | I874 D877 L881 T916 F917 R922 I923 L924 | I874-I920 HydrophobicContact CG2-CG2 4.48Å; D877-I920 HydrophobicContact CB-CD1 4.12Å; D877-I920 HydrophobicContact CB-CG1 3.67Å; L881-I920 HydrophobicContact CD1-CD1 4.4Å; T916-I920 HydrophobicContact CG2-CD1 4.32Å; T916-I920 WeakPolarHBondContact O-CG1 3.43Å; T916-I920 PolarHBondContact O-N 3.01Å; T916-I920 VanDerWaalsContact O-N 3.14Å; F917-I920 PolarHBondContact O-N 3.28Å; I920-R922 VanDerWaalsContact C-N 3.29Å; I920-R922 PolarHBondContact O-N 2.98Å; I920-I923 PolarHBondContact O-N 3.21Å; I920-I923 VanDerWaalsContact O-N 3.15Å; I920-L924 HydrophobicContact CG2-CD1 3.83Å; I920-L924 HydrophobicContact CG2-CG 4.33Å; I920-L924 WeakPolarHBondContact O-CB 3.46Å; I920-L924 WeakPolarHBondContact O-CG 3.31Å; I920-L924 PolarHBondContact O-N 3.12Å |
| 921 | L | 83.9 | Confident | 78.2 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -31.7 | 177.9 | -174.9 | 62.6 | 0 | 0 | 0 | 113.2 | F917 R919 L924 K925 | F917-L921 HydrophobicContact CE1-CD2 4.47Å; F917-L921 VanDerWaalsContact O-CB 3.28Å; F917-L921 WeakPolarHBondContact O-CB 3.41Å; F917-L921 PolarHBondContact O-N 3.03Å; R919-L921 VanDerWaalsContact C-N 3.31Å; R919-L921 PolarHBondContact O-N 3.08Å; L921-L924 PolarHBondContact O-N 2.93Å; L921-K925 HydrophobicContact CD1-CD 4.39Å; L921-K925 HydrophobicContact CG-CD 4.23Å; L921-K925 VanDerWaalsContact O-CB 3.29Å; L921-K925 WeakPolarHBondContact O-CB 3.25Å; L921-K925 WeakPolarHBondContact O-CD 3.42Å; L921-K925 VanDerWaalsContact O-CG 3.28Å; L921-K925 WeakPolarHBondContact O-CG 3.27Å; L921-K925 PolarHBondContact O-N 3.14Å; L921-K925 VanDerWaalsContact O-N 3.11Å |
| 922 | R | 86.4 | Confident | 78.7 | Confident | 18.75 Ų | 18.75 | 45.8 Ų | 45.8 | 7% | 0.071 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.7 | -41.9 | 176 | -79.8 | 176.3 | 172.9 | -170.8 | -2.8 | 112.9 | I828 L829 S831 N832 Y836 K918 R919 I920 L924 K925 L926 | I828-R922 VanDerWaalsContact O-CD 3.23Å; I828-R922 WeakPolarHBondContact O-CD 3.25Å; I828-R922 PolarHBondContact O-NH1 3.18Å; L829-R922 PolarHBondContact O-NH1 3.13Å; S831-R922 VanDerWaalsContact O-CZ 3.23Å; S831-R922 PolarHBondContact O-NH1 3.2Å; S831-R922 PolarHBondContact O-NH2 3.11Å; N832-R922 VanDerWaalsContact C-NH2 3.35Å; N832-R922 PolarHBondContact O-NH2 2.79Å; N832-R922 VanDerWaalsContact O-NH2 3.08Å; Y836-R922 HydrophobicContact CD1-CG 4.37Å; Y836-R922 HydrophobicContact CD2-CB 3.98Å; Y836-R922 HydrophobicContact CD2-CG 3.75Å; Y836-R922 HydrophobicContact CE1-CG 4.23Å; Y836-R922 HydrophobicContact CE2-CB 3.53Å; Y836-R922 VanDerWaalsContact CE2-CB 3.45Å; Y836-R922 HydrophobicContact CE2-CG 3.63Å; Y836-R922 HydrophobicContact CG-CG 4.24Å; Y836-R922 PolarHBondContact OH-O 3.29Å; K918-R922 WeakPolarHBondContact O-CB 3.46Å; K918-R922 VanDerWaalsContact O-CD 3.31Å; K918-R922 WeakPolarHBondContact O-CD 3.32Å; K918-R922 VanDerWaalsContact O-CG 3.31Å; K918-R922 WeakPolarHBondContact O-CG 3.45Å; K918-R922 PolarHBondContact O-N 3.34Å; K918-R922 VanDerWaalsContact O-N 3.07Å; R919-R922 WeakPolarHBondContact O-CA 3.27Å; R919-R922 WeakPolarHBondContact O-CB 3.37Å; R919-R922 PolarHBondContact O-N 3.25Å; R919-R922 VanDerWaalsContact O-N 3.11Å; I920-R922 VanDerWaalsContact C-N 3.29Å; I920-R922 PolarHBondContact O-N 2.98Å; R922-L924 VanDerWaalsContact C-N 3.33Å; R922-K925 CarbonylContact O-C 2.87Å; R922-K925 PolarHBondContact O-N 3.06Å; R922-K925 VanDerWaalsContact O-N 3.11Å; R922-L926 WeakPolarHBondContact O-CB 3.43Å; R922-L926 PolarHBondContact O-N 2.95Å |
| 923 | I | 85.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.5 | -43.9 | 176.8 | -52.7 | 154.8 | 0 | 0 | 0 | 109.4 | W825 L829 C870 I874 D877 R919 I920 K925 L926 L927 | W825-I923 HydrophobicContact CZ3-CG2 4.33Å; L829-I923 HydrophobicContact CD2-CD1 3.73Å; L829-I923 HydrophobicContact CD2-CG1 3.74Å; C870-I923 HydrophobicContact CB-CG2 3.85Å; C870-I923 WeakPolarHBondContact O-CG2 3.49Å; I874-I923 HydrophobicContact CD1-CB 4.28Å; I874-I923 HydrophobicContact CD1-CG2 3.83Å; I874-I923 HydrophobicContact CG1-CB 3.9Å; I874-I923 HydrophobicContact CG1-CD1 3.96Å; I874-I923 HydrophobicContact CG1-CG1 4.39Å; I874-I923 HydrophobicContact CG1-CG2 3.71Å; D877-I923 WeakPolarHBondContact OD2-CD1 3.11Å; R919-I923 WeakPolarHBondContact O-CD1 3.36Å; R919-I923 WeakPolarHBondContact O-CG1 3.27Å; R919-I923 PolarHBondContact O-N 3.16Å; R919-I923 VanDerWaalsContact O-N 3.11Å; I920-I923 PolarHBondContact O-N 3.21Å; I920-I923 VanDerWaalsContact O-N 3.15Å; I923-K925 VanDerWaalsContact C-N 3.31Å; I923-K925 PolarHBondContact O-N 3.26Å; I923-L926 WeakPolarHBondContact O-CB 3.45Å; I923-L926 PolarHBondContact O-N 3.11Å; I923-L926 VanDerWaalsContact O-N 3.13Å; I923-L927 WeakPolarHBondContact O-CB 3.33Å; I923-L927 PolarHBondContact O-N 3.1Å |
| 924 | L | 83.4 | Confident | 78.7 | Confident | 45.25 Ų | 45.25 | 42.9 Ų | 42.9 | 24% | 0.237 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 172.4 | -69.4 | 172.5 | 0 | 0 | 0 | 111.6 | I874 I920 L921 R922 L926 L927 K928 T1363 V1365 | I874-L924 HydrophobicContact CD1-CD2 3.85Å; I874-L924 HydrophobicContact CD1-CG 4.3Å; I920-L924 HydrophobicContact CG2-CD1 3.83Å; I920-L924 HydrophobicContact CG2-CG 4.33Å; I920-L924 WeakPolarHBondContact O-CB 3.46Å; I920-L924 WeakPolarHBondContact O-CG 3.31Å; I920-L924 PolarHBondContact O-N 3.12Å; L921-L924 PolarHBondContact O-N 2.93Å; R922-L924 VanDerWaalsContact C-N 3.33Å; L924-L926 PolarHBondContact O-N 2.81Å; L924-L926 VanDerWaalsContact O-N 3.16Å; L924-L927 CarbonylContact O-C 3.35Å; L924-L927 WeakPolarHBondContact O-CA 3.17Å; L924-L927 WeakPolarHBondContact O-CB 3.44Å; L924-L927 PolarHBondContact O-N 3.11Å; L924-K928 WeakPolarHBondContact O-CB 3.32Å; L924-K928 PolarHBondContact O-N 3.04Å; L924-K928 VanDerWaalsContact O-N 3.15Å; L924-T1363 HydrophobicContact CB-CG2 3.65Å; L924-T1363 HydrophobicContact CD2-CG2 4.41Å; L924-T1363 WeakPolarHBondContact O-CG2 3.31Å; L924-V1365 HydrophobicContact CD2-CB 4.32Å; L924-V1365 HydrophobicContact CD2-CG1 3.54Å |
| 925 | K | 83 | Confident | 78.2 | Confident | 82.25 Ų | 82.25 | 41.1 Ų | 41.1 | 36% | 0.358 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.9 | -36 | 177.1 | -78.3 | 174 | 179 | 177.9 | 0 | 113.5 | Y836 L921 R922 I923 L927 K928 R929 V1361 | Y836-K925 VanDerWaalsContact OH-CB 3.27Å; Y836-K925 WeakPolarHBondContact OH-CB 3.35Å; L921-K925 HydrophobicContact CD1-CD 4.39Å; L921-K925 HydrophobicContact CG-CD 4.23Å; L921-K925 VanDerWaalsContact O-CB 3.29Å; L921-K925 WeakPolarHBondContact O-CB 3.25Å; L921-K925 WeakPolarHBondContact O-CD 3.42Å; L921-K925 VanDerWaalsContact O-CG 3.28Å; L921-K925 WeakPolarHBondContact O-CG 3.27Å; L921-K925 PolarHBondContact O-N 3.14Å; L921-K925 VanDerWaalsContact O-N 3.11Å; R922-K925 CarbonylContact O-C 2.87Å; R922-K925 PolarHBondContact O-N 3.06Å; R922-K925 VanDerWaalsContact O-N 3.11Å; I923-K925 VanDerWaalsContact C-N 3.31Å; I923-K925 PolarHBondContact O-N 3.26Å; K925-L927 VanDerWaalsContact C-N 3.31Å; K925-K928 PolarHBondContact O-N 3.07Å; K925-R929 WeakPolarHBondContact O-CB 2.99Å; K925-R929 VanDerWaalsContact O-CG 3.3Å; K925-R929 WeakPolarHBondContact O-CG 3.31Å; K925-R929 PolarHBondContact O-N 3.18Å; K925-V1361 HydrophobicContact CB-CG1 3.67Å; K925-V1361 HydrophobicContact CG-CG1 3.75Å; K925-V1361 VanDerWaalsContact O-CG1 3.27Å; K925-V1361 WeakPolarHBondContact O-CG1 2.97Å |
| 926 | L | 83.5 | Confident | 77.4 | Confident | 0.75 Ų | 0.75 | 42.2 Ų | 42.2 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -47.8 | 170.8 | 173 | 65.8 | 0 | 0 | 0 | 111 | W825 I828 Y836 C840 L843 L844 R922 I923 L924 K928 R929 F930 | W825-L926 HydrophobicContact CE3-CD2 4.42Å; W825-L926 HydrophobicContact CH2-CD2 3.42Å; W825-L926 HydrophobicContact CZ2-CD2 4.4Å; W825-L926 HydrophobicContact CZ3-CD2 3.51Å; I828-L926 HydrophobicContact CD1-CD2 4.29Å; I828-L926 HydrophobicContact CG2-CD2 4.22Å; Y836-L926 PolarHBondContact OH-N 3.33Å; C840-L926 HydrophobicContact CB-CD1 4.1Å; L843-L926 HydrophobicContact CB-CD1 4.39Å; L843-L926 HydrophobicContact CD2-CD1 4.17Å; L843-L926 HydrophobicContact CD2-CD2 3.74Å; L843-L926 VanDerWaalsContact CD2-CD2 3.49Å; L843-L926 HydrophobicContact CD2-CG 4.33Å; L843-L926 HydrophobicContact CG-CD1 4.28Å; L844-L926 HydrophobicContact CD1-CD1 3.49Å; L844-L926 VanDerWaalsContact CD1-CD1 3.49Å; L844-L926 HydrophobicContact CD2-CD1 4.24Å; L844-L926 HydrophobicContact CG-CD1 4.15Å; R922-L926 WeakPolarHBondContact O-CB 3.43Å; R922-L926 PolarHBondContact O-N 2.95Å; I923-L926 WeakPolarHBondContact O-CB 3.45Å; I923-L926 PolarHBondContact O-N 3.11Å; I923-L926 VanDerWaalsContact O-N 3.13Å; L924-L926 PolarHBondContact O-N 2.81Å; L924-L926 VanDerWaalsContact O-N 3.16Å; L926-K928 VanDerWaalsContact C-N 3.32Å; L926-K928 PolarHBondContact O-N 3.16Å; L926-K928 VanDerWaalsContact O-N 3.14Å; L926-R929 CarbonylContact O-C 3.28Å; L926-R929 WeakPolarHBondContact O-CA 3.32Å; L926-R929 WeakPolarHBondContact O-CB 3.2Å; L926-R929 PolarHBondContact O-N 3.19Å; L926-R929 VanDerWaalsContact O-N 3.08Å; L926-F930 HydrophobicContact CD1-CD2 3.89Å; L926-F930 HydrophobicContact CD1-CE2 3.69Å; L926-F930 HydrophobicContact CG-CD2 4.14Å; L926-F930 HydrophobicContact CG-CE2 4.17Å; L926-F930 WeakPolarHBondContact O-CB 3.29Å; L926-F930 PolarHBondContact O-N 3.2Å; L926-F930 VanDerWaalsContact O-N 3.12Å |
| 927 | L | 82.2 | Confident | 76.3 | Confident | 23.75 Ų | 23.75 | 43.5 Ų | 43.5 | 12% | 0.124 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -34.4 | 179.6 | -171.8 | 61.6 | 0 | 0 | 0 | 112.1 | M867 C870 I874 I923 L924 K925 R929 F930 T931 V1365 F1366 H1367 | M867-L927 HydrophobicContact CB-CD1 4.47Å; M867-L927 HydrophobicContact CG-CD1 4.23Å; C870-L927 HydrophobicContact CB-CB 4.34Å; C870-L927 HydrophobicContact CB-CD1 4.03Å; C870-L927 HydrophobicContact CB-CD2 3.94Å; C870-L927 HydrophobicContact CB-CG 4.33Å; I874-L927 HydrophobicContact CD1-CD2 3.74Å; I923-L927 WeakPolarHBondContact O-CB 3.33Å; I923-L927 PolarHBondContact O-N 3.1Å; L924-L927 CarbonylContact O-C 3.35Å; L924-L927 WeakPolarHBondContact O-CA 3.17Å; L924-L927 WeakPolarHBondContact O-CB 3.44Å; L924-L927 PolarHBondContact O-N 3.11Å; K925-L927 VanDerWaalsContact C-N 3.31Å; L927-R929 VanDerWaalsContact C-N 3.3Å; L927-R929 PolarHBondContact O-N 3.25Å; L927-F930 PolarHBondContact O-N 3Å; L927-F930 VanDerWaalsContact O-N 3.15Å; L927-T931 HydrophobicContact CD1-CG2 4.42Å; L927-T931 WeakPolarHBondContact O-CB 3.32Å; L927-T931 PolarHBondContact O-N 3.22Å; L927-T931 PolarHBondContact O-OG1 3.18Å; L927-T931 VanDerWaalsContact O-OG1 3.11Å; L927-V1365 VanDerWaalsContact C-C 3.45Å; L927-V1365 CarbonylContact C-O 3.59Å; L927-V1365 HydrophobicContact CB-CB 4.2Å; L927-V1365 HydrophobicContact CD2-CB 3.81Å; L927-V1365 HydrophobicContact CD2-CG2 3.25Å; L927-V1365 HydrophobicContact CG-CB 3.78Å; L927-V1365 HydrophobicContact CG-CG2 3.65Å; L927-V1365 CarbonylContact O-C 3.11Å; L927-F1366 PolarHBondContact O-N 2.99Å; L927-H1367 HydrophobicContact CD1-CB 3.33Å; L927-H1367 VanDerWaalsContact CD1-CD2 3.41Å; L927-H1367 WeakPolarHBondContact CD1-CD2 2.96Å; L927-H1367 HydrophobicContact CG-CB 3.67Å |
| 928 | K | 79.5 | Confident | 75.1 | Confident | 76.25 Ų | 76.25 | 41.5 Ų | 41.5 | 33% | 0.332 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.2 | -37.1 | 170.4 | -168.8 | 179.8 | -179.5 | 175.9 | 0 | 112.6 | L924 K925 L926 T931 V932 F1231 E1234 N1360 V1361 S1362 T1363 V1365 F1366 | L924-K928 WeakPolarHBondContact O-CB 3.32Å; L924-K928 PolarHBondContact O-N 3.04Å; L924-K928 VanDerWaalsContact O-N 3.15Å; K925-K928 PolarHBondContact O-N 3.07Å; L926-K928 VanDerWaalsContact C-N 3.32Å; L926-K928 PolarHBondContact O-N 3.16Å; L926-K928 VanDerWaalsContact O-N 3.14Å; K928-T931 WeakPolarHBondContact CA-OG1 3.5Å; K928-T931 PolarHBondContact N-OG1 2.84Å; K928-T931 PolarHBondContact O-N 2.89Å; K928-T931 PolarHBondContact O-OG1 3.14Å; K928-T931 VanDerWaalsContact O-OG1 3.1Å; K928-V932 HydrophobicContact CG-CG2 4.14Å; K928-V932 WeakPolarHBondContact O-CB 3.33Å; K928-V932 VanDerWaalsContact O-CG2 3.29Å; K928-V932 WeakPolarHBondContact O-CG2 3.45Å; K928-V932 PolarHBondContact O-N 3.08Å; K928-F1231 HydrophobicContact CB-CE1 4.38Å; K928-F1231 HydrophobicContact CB-CZ 4.04Å; K928-F1231 HydrophobicContact CD-CE1 3.48Å; K928-F1231 VanDerWaalsContact CD-CE1 3.48Å; K928-F1231 HydrophobicContact CD-CZ 3.59Å; K928-F1231 VanDerWaalsContact CE-CE1 3.5Å; K928-F1231 HydrophobicContact CG-CE1 3.99Å; K928-F1231 HydrophobicContact CG-CZ 3.58Å; K928-E1234 IonicContact NZ-OE1 3.79Å; K928-E1234 PolarHBondContact NZ-OE1 3.49Å; K928-E1234 IonicContact NZ-OE2 2.98Å; K928-E1234 PolarHBondContact NZ-OE2 3.2Å; K928-N1360 HydrophobicContact CD-CB 3.59Å; K928-N1360 VanDerWaalsContact CE-CB 3.41Å; K928-N1360 WeakPolarHBondContact CE-OD1 3.25Å; K928-N1360 HydrophobicContact CG-CB 4.05Å; K928-N1360 PolarHBondContact NZ-OD1 3.05Å; K928-V1361 HydrophobicContact CB-CB 4.45Å; K928-V1361 HydrophobicContact CB-CG2 3.67Å; K928-V1361 HydrophobicContact CG-CG2 4.23Å; K928-S1362 VanDerWaalsContact CD-CA 3.42Å; K928-S1362 PolarHBondContact NZ-O 3.28Å; K928-T1363 HydrophobicContact CB-CG2 3.95Å; K928-T1363 WeakPolarHBondContact CD-O 3.38Å; K928-T1363 WeakPolarHBondContact CE-O 3.35Å; K928-T1363 PolarHBondContact NZ-O 3.11Å; K928-T1363 VanDerWaalsContact NZ-O 3.15Å; K928-V1365 VanDerWaalsContact CA-O 3.26Å; K928-V1365 WeakPolarHBondContact CA-O 3.05Å; K928-V1365 VanDerWaalsContact CB-O 3.23Å; K928-V1365 WeakPolarHBondContact CB-O 3.5Å; K928-V1365 PolarHBondContact N-O 3.07Å; K928-V1365 VanDerWaalsContact N-O 3.07Å; K928-F1366 HydrophobicContact CD-CD2 3.86Å; K928-F1366 HydrophobicContact CD-CE2 4.05Å; K928-F1366 HydrophobicContact CG-CB 4.04Å; K928-F1366 HydrophobicContact CG-CD2 3.49Å; K928-F1366 VanDerWaalsContact CG-CD2 3.49Å; K928-F1366 HydrophobicContact CG-CE2 4.08Å; K928-F1366 HydrophobicContact CG-CG 3.97Å |
| 929 | R | 76.7 | Confident | 73.6 | Confident | 70.5 Ų | 70.5 | 42 Ų | 42 | 27% | 0.266 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66 | -43.6 | 175.9 | -75.3 | 179.9 | 170.8 | -162.9 | -9.4 | 111.4 | L844 K925 L926 L927 T931 V932 R933 D1228 F1231 E1272 E1274 V1361 | L844-R929 HydrophobicContact CD1-CB 4.09Å; L844-R929 WeakPolarHBondContact CD1-O 3.18Å; L844-R929 HydrophobicContact CD2-CB 4.23Å; K925-R929 WeakPolarHBondContact O-CB 2.99Å; K925-R929 VanDerWaalsContact O-CG 3.3Å; K925-R929 WeakPolarHBondContact O-CG 3.31Å; K925-R929 PolarHBondContact O-N 3.18Å; L926-R929 CarbonylContact O-C 3.28Å; L926-R929 WeakPolarHBondContact O-CA 3.32Å; L926-R929 WeakPolarHBondContact O-CB 3.2Å; L926-R929 PolarHBondContact O-N 3.19Å; L926-R929 VanDerWaalsContact O-N 3.08Å; L927-R929 VanDerWaalsContact C-N 3.3Å; L927-R929 PolarHBondContact O-N 3.25Å; R929-T931 PolarHBondContact O-N 2.6Å; R929-V932 PolarHBondContact O-N 3.27Å; R929-R933 VanDerWaalsContact O-CB 3.23Å; R929-R933 WeakPolarHBondContact O-CB 3.41Å; R929-R933 PolarHBondContact O-N 3.13Å; R929-D1228 IonicContact CZ-OD1 3.92Å; R929-D1228 IonicContact NH2-OD1 2.94Å; R929-D1228 PolarHBondContact NH2-OD1 2.76Å; R929-F1231 HydrophobicContact CG-CE2 3.92Å; R929-F1231 HydrophobicContact CG-CZ 3.83Å; R929-E1272 IonicContact CZ-OE2 2.72Å; R929-E1272 IonicContact NH1-OE2 2.72Å; R929-E1272 PolarHBondContact NH1-OE2 3.11Å; R929-E1274 IonicContact CZ-OE1 3.4Å; R929-E1274 IonicContact NH2-OE1 2.69Å; R929-E1274 PolarHBondContact NH2-OE1 3.2Å; R929-V1361 HydrophobicContact CB-CG2 4.09Å; R929-V1361 HydrophobicContact CG-CB 4.23Å; R929-V1361 HydrophobicContact CG-CG1 4.15Å; R929-V1361 HydrophobicContact CG-CG2 3.24Å; R929-V1361 VanDerWaalsContact N-CG2 3.34Å |
| 930 | F | 75.5 | Confident | 71.9 | Confident | 6.25 Ų | 6.25 | 46.2 Ų | 46.2 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 178 | -155.3 | -96.7 | 0 | 0 | 0 | 112.5 | L843 L844 Y847 T848 C863 I866 M867 L926 L927 V932 R933 M934 H1367 | L843-F930 HydrophobicContact CG-CE2 4.4Å; L843-F930 HydrophobicContact CG-CZ 4.36Å; L843-F930 WeakPolarHBondContact O-CZ 3.2Å; L844-F930 HydrophobicContact CB-CZ 4.48Å; L844-F930 VanDerWaalsContact CD1-CA 3.44Å; L844-F930 HydrophobicContact CD1-CB 4.49Å; L844-F930 HydrophobicContact CD1-CD1 3.7Å; L844-F930 HydrophobicContact CD1-CD2 4.13Å; L844-F930 HydrophobicContact CD1-CE1 3.58Å; L844-F930 HydrophobicContact CD1-CG 4.25Å; L844-F930 HydrophobicContact CD1-CZ 4.04Å; L844-F930 HydrophobicContact CD2-CB 3.81Å; L844-F930 HydrophobicContact CD2-CD2 4.04Å; L844-F930 HydrophobicContact CD2-CG 4.45Å; Y847-F930 HydrophobicContact CG-CE1 4.29Å; Y847-F930 HydrophobicContact CG-CE2 4.35Å; Y847-F930 HydrophobicContact CG-CZ 4.31Å; Y847-F930 WeakPolarHBondContact O-CE2 3.31Å; Y847-F930 WeakPolarHBondContact O-CZ 3.43Å; T848-F930 HydrophobicContact CG2-CD2 4.14Å; T848-F930 HydrophobicContact CG2-CE2 4.04Å; T848-F930 VanDerWaalsContact CG2-CE2 3.45Å; T848-F930 HydrophobicContact CG2-CZ 4.25Å; C863-F930 HydrophobicContact CB-CE1 4.34Å; C863-F930 HydrophobicContact CB-CZ 4.38Å; I866-F930 HydrophobicContact CD1-CD2 4.23Å; I866-F930 HydrophobicContact CD1-CE2 4.22Å; I866-F930 HydrophobicContact CD1-CG 4.2Å; I866-F930 HydrophobicContact CD1-CZ 4.48Å; I866-F930 HydrophobicContact CG1-CD2 4.23Å; I866-F930 HydrophobicContact CG1-CE2 3.75Å; I866-F930 HydrophobicContact CG1-CZ 3.92Å; I866-F930 HydrophobicContact CG2-CB 4.44Å; I866-F930 HydrophobicContact CG2-CD1 3.93Å; I866-F930 HydrophobicContact CG2-CD2 4.32Å; I866-F930 HydrophobicContact CG2-CE1 3.59Å; I866-F930 VanDerWaalsContact CG2-CE1 3.4Å; I866-F930 HydrophobicContact CG2-CE2 4.1Å; I866-F930 HydrophobicContact CG2-CG 4.18Å; I866-F930 HydrophobicContact CG2-CZ 3.68Å; I866-F930 VanDerWaalsContact CG2-CZ 3.42Å; M867-F930 HydrophobicContact CG-CE1 4.47Å; L926-F930 HydrophobicContact CD1-CD2 3.89Å; L926-F930 HydrophobicContact CD1-CE2 3.69Å; L926-F930 HydrophobicContact CG-CD2 4.14Å; L926-F930 HydrophobicContact CG-CE2 4.17Å; L926-F930 WeakPolarHBondContact O-CB 3.29Å; L926-F930 PolarHBondContact O-N 3.2Å; L926-F930 VanDerWaalsContact O-N 3.12Å; L927-F930 PolarHBondContact O-N 3Å; L927-F930 VanDerWaalsContact O-N 3.15Å; F930-V932 PolarHBondContact O-N 3.32Å; F930-R933 CarbonylContact O-C 3.55Å; F930-R933 PolarHBondContact O-N 3.09Å; F930-M934 HydrophobicContact CD1-CG 4.08Å; F930-M934 HydrophobicContact CD1-SD 4.4Å; F930-M934 HydrophobicContact CD2-CG 4.22Å; F930-M934 HydrophobicContact CE1-CG 3.67Å; F930-M934 HydrophobicContact CE1-SD 3.98Å; F930-M934 HydrophobicContact CE2-CG 3.86Å; F930-M934 HydrophobicContact CE2-SD 3.97Å; F930-M934 HydrophobicContact CG-CG 4.31Å; F930-M934 HydrophobicContact CZ-CG 3.77Å; F930-M934 HydrophobicContact CZ-SD 3.8Å; F930-M934 WeakPolarHBondContact CZ-SD 3.09Å; F930-M934 VanDerWaalsContact O-CB 3.31Å; F930-M934 WeakPolarHBondContact O-CB 3.42Å; F930-M934 VanDerWaalsContact O-CG 3.27Å; F930-M934 WeakPolarHBondContact O-CG 3.35Å; F930-M934 PolarHBondContact O-N 3.28Å; F930-H1367 AromaticContact CD1-CD2 3.61Å; F930-H1367 AromaticContact CD1-CE1 3.92Å; F930-H1367 AromaticContact CD1-NE2 3.14Å; F930-H1367 WeakPolarHBondContact CD1-NE2 3.49Å; F930-H1367 AromaticContact CE1-CE1 3.92Å; F930-H1367 AromaticContact CE1-NE2 3.3Å; F930-H1367 VanDerWaalsContact CE1-NE2 3.3Å; F930-H1367 WeakPolarHBondContact CE1-NE2 3.36Å |
| 931 | T | 72.3 | Confident | 70.3 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.129 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -82.5 | -35.2 | -169.9 | -6.4 | 0 | 0 | 0 | 0 | 112.5 | L927 K928 R929 R933 M934 N935 L949 F1366 H1367 | L927-T931 HydrophobicContact CD1-CG2 4.42Å; L927-T931 WeakPolarHBondContact O-CB 3.32Å; L927-T931 PolarHBondContact O-N 3.22Å; L927-T931 PolarHBondContact O-OG1 3.18Å; L927-T931 VanDerWaalsContact O-OG1 3.11Å; K928-T931 WeakPolarHBondContact CA-OG1 3.5Å; K928-T931 PolarHBondContact N-OG1 2.84Å; K928-T931 PolarHBondContact O-N 2.89Å; K928-T931 PolarHBondContact O-OG1 3.14Å; K928-T931 VanDerWaalsContact O-OG1 3.1Å; R929-T931 PolarHBondContact O-N 2.6Å; T931-R933 VanDerWaalsContact C-N 3.33Å; T931-R933 PolarHBondContact O-N 3.12Å; T931-M934 VanDerWaalsContact C-C 3.48Å; T931-M934 HydrophobicContact CG2-CB 3.96Å; T931-M934 HydrophobicContact CG2-CG 4.48Å; T931-M934 CarbonylContact O-C 3.35Å; T931-M934 PolarHBondContact O-N 2.83Å; T931-M934 VanDerWaalsContact O-O 3.06Å; T931-N935 WeakPolarHBondContact O-CB 3.29Å; T931-N935 VanDerWaalsContact O-CG 3.31Å; T931-N935 PolarHBondContact O-N 3.12Å; T931-N935 PolarHBondContact O-ND2 3.22Å; T931-N935 PolarHBondContact O-OD1 3.22Å; T931-L949 HydrophobicContact CG2-CD2 3.98Å; T931-F1366 VanDerWaalsContact CB-O 3.3Å; T931-F1366 WeakPolarHBondContact CB-O 3.03Å; T931-F1366 WeakPolarHBondContact CG2-O 3.48Å; T931-F1366 WeakPolarHBondContact O-CB 3.42Å; T931-F1366 WeakPolarHBondContact O-CD1 3.44Å; T931-H1367 HydrophobicContact CG2-CB 3.31Å; T931-H1367 WeakPolarHBondContact CG2-CD2 3.36Å; T931-H1367 WeakPolarHBondContact CG2-ND1 3.31Å |
| 932 | V | 70.8 | Confident | 68.4 | Low | 52.75 Ų | 52.75 | 48.6 Ų | 48.6 | 32% | 0.32 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 165 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | K928 R929 F930 M934 N935 L936 I1227 N1360 F1366 | K928-V932 HydrophobicContact CG-CG2 4.14Å; K928-V932 WeakPolarHBondContact O-CB 3.33Å; K928-V932 VanDerWaalsContact O-CG2 3.29Å; K928-V932 WeakPolarHBondContact O-CG2 3.45Å; K928-V932 PolarHBondContact O-N 3.08Å; R929-V932 PolarHBondContact O-N 3.27Å; F930-V932 PolarHBondContact O-N 3.32Å; V932-M934 PolarHBondContact O-N 2.98Å; V932-N935 CarbonylContact O-C 3.58Å; V932-N935 WeakPolarHBondContact O-CA 3.25Å; V932-N935 PolarHBondContact O-N 3.15Å; V932-L936 HydrophobicContact CG1-CD1 4.07Å; V932-L936 WeakPolarHBondContact O-CB 3.4Å; V932-L936 WeakPolarHBondContact O-CD1 3.5Å; V932-L936 WeakPolarHBondContact O-CG 3.46Å; V932-L936 PolarHBondContact O-N 3.31Å; V932-L936 VanDerWaalsContact O-N 3.13Å; V932-I1227 HydrophobicContact CG1-CD1 4.22Å; V932-I1227 HydrophobicContact CG1-CG1 4.25Å; V932-N1360 HydrophobicContact CB-CB 4.35Å; V932-N1360 HydrophobicContact CG1-CB 4.48Å; V932-N1360 HydrophobicContact CG2-CB 3.1Å; V932-F1366 HydrophobicContact CB-CD1 4.46Å; V932-F1366 HydrophobicContact CB-CE1 4.29Å; V932-F1366 HydrophobicContact CG2-CD1 3.86Å; V932-F1366 HydrophobicContact CG2-CD2 4.32Å; V932-F1366 HydrophobicContact CG2-CE1 3.63Å; V932-F1366 HydrophobicContact CG2-CE2 4.2Å; V932-F1366 HydrophobicContact CG2-CG 4.11Å; V932-F1366 HydrophobicContact CG2-CZ 3.77Å |
| 933 | R | 66.2 | Low | 66.1 | Low | 77.5 Ų | 77.5 | 51.9 Ų | 51.9 | 29% | 0.292 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 175.8 | -168.3 | 72.8 | 162.4 | 138 | 7.5 | 112.5 | L844 T848 N849 R929 F930 T931 N935 L936 E937 K1372 | L844-R933 HydrophobicContact CD1-CB 3.87Å; L844-R933 HydrophobicContact CD2-CB 4.34Å; T848-R933 VanDerWaalsContact CB-NH1 3.32Å; T848-R933 HydrophobicContact CG2-CB 3.92Å; T848-R933 HydrophobicContact CG2-CG 3.79Å; T848-R933 PolarHBondContact OG1-NH1 3.41Å; T848-R933 PolarHBondContact OG1-NH2 3.01Å; N849-R933 PolarHBondContact OD1-NH2 3.38Å; R929-R933 VanDerWaalsContact O-CB 3.23Å; R929-R933 WeakPolarHBondContact O-CB 3.41Å; R929-R933 PolarHBondContact O-N 3.13Å; F930-R933 CarbonylContact O-C 3.55Å; F930-R933 PolarHBondContact O-N 3.09Å; T931-R933 VanDerWaalsContact C-N 3.33Å; T931-R933 PolarHBondContact O-N 3.12Å; R933-N935 PolarHBondContact O-N 3.13Å; R933-L936 WeakPolarHBondContact O-CA 3.11Å; R933-L936 WeakPolarHBondContact O-CB 3.44Å; R933-L936 PolarHBondContact O-N 3.12Å; R933-E937 WeakPolarHBondContact CG-OE1 3.41Å; R933-E937 IonicContact CZ-OE1 3.23Å; R933-E937 VanDerWaalsContact NE-CD 3.35Å; R933-E937 IonicContact NE-OE1 3.22Å; R933-E937 PolarHBondContact NE-OE1 2.99Å; R933-E937 IonicContact NH1-OE1 3.03Å; R933-E937 PolarHBondContact NH1-OE1 2.91Å; R933-E937 IonicContact NH2-OE1 3.19Å; R933-E937 PolarHBondContact NH2-OE1 3.29Å; R933-E937 WeakPolarHBondContact O-CB 3.36Å; R933-E937 WeakPolarHBondContact O-CG 3.47Å; R933-E937 PolarHBondContact O-N 3.17Å; R933-E937 VanDerWaalsContact O-N 3.09Å; R933-K1372 WeakPolarHBondContact O-CE 2.92Å |
| 934 | M | 64.5 | Low | 64.1 | Low | 19 Ų | 19 | 55.8 Ų | 55.8 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.4 | -26.9 | 168.9 | -69.2 | -94.1 | 71.6 | 0 | 0 | 113.1 | T848 C863 F930 T931 V932 L936 E937 M938 H1367 D1371 K1372 | T848-M934 HydrophobicContact CG2-CE 3.87Å; C863-M934 HydrophobicContact CB-CE 3.8Å; C863-M934 HydrophobicContact CB-CG 3.81Å; C863-M934 HydrophobicContact CB-SD 3.42Å; C863-M934 WeakPolarHBondContact CB-SD 3.39Å; C863-M934 WeakPolarHBondContact SG-CE 3.28Å; C863-M934 PolarHBondContact SG-SD 3.06Å; F930-M934 HydrophobicContact CD1-CG 4.08Å; F930-M934 HydrophobicContact CD1-SD 4.4Å; F930-M934 HydrophobicContact CD2-CG 4.22Å; F930-M934 HydrophobicContact CE1-CG 3.67Å; F930-M934 HydrophobicContact CE1-SD 3.98Å; F930-M934 HydrophobicContact CE2-CG 3.86Å; F930-M934 HydrophobicContact CE2-SD 3.97Å; F930-M934 HydrophobicContact CG-CG 4.31Å; F930-M934 HydrophobicContact CZ-CG 3.77Å; F930-M934 HydrophobicContact CZ-SD 3.8Å; F930-M934 WeakPolarHBondContact CZ-SD 3.09Å; F930-M934 VanDerWaalsContact O-CB 3.31Å; F930-M934 WeakPolarHBondContact O-CB 3.42Å; F930-M934 VanDerWaalsContact O-CG 3.27Å; F930-M934 WeakPolarHBondContact O-CG 3.35Å; F930-M934 PolarHBondContact O-N 3.28Å; T931-M934 VanDerWaalsContact C-C 3.48Å; T931-M934 HydrophobicContact CG2-CB 3.96Å; T931-M934 HydrophobicContact CG2-CG 4.48Å; T931-M934 CarbonylContact O-C 3.35Å; T931-M934 PolarHBondContact O-N 2.83Å; T931-M934 VanDerWaalsContact O-O 3.06Å; V932-M934 PolarHBondContact O-N 2.98Å; M934-L936 VanDerWaalsContact C-N 3.29Å; M934-L936 PolarHBondContact O-N 3.1Å; M934-E937 HydrophobicContact CE-CB 4.24Å; M934-E937 WeakPolarHBondContact CE-OE2 3.49Å; M934-E937 PolarHBondContact O-N 3.01Å; M934-M938 HydrophobicContact CE-CG 4.03Å; M934-M938 HydrophobicContact CE-SD 3.69Å; M934-M938 VanDerWaalsContact O-CB 3.28Å; M934-M938 WeakPolarHBondContact O-CB 3.42Å; M934-M938 VanDerWaalsContact O-CG 3.26Å; M934-M938 WeakPolarHBondContact O-CG 3.28Å; M934-M938 PolarHBondContact O-N 3.16Å; M934-H1367 PolarHBondContact SD-CE1 3.31Å; M934-D1371 WeakPolarHBondContact CB-OD1 3.02Å; M934-D1371 VanDerWaalsContact CE-OD2 3.28Å; M934-D1371 WeakPolarHBondContact CE-OD2 3.4Å; M934-K1372 VanDerWaalsContact CA-CD 3.45Å; M934-K1372 HydrophobicContact CB-CD 3.84Å; M934-K1372 HydrophobicContact CB-CG 4.2Å; M934-K1372 HydrophobicContact CE-CD 3.95Å; M934-K1372 HydrophobicContact CG-CD 4.11Å; M934-K1372 VanDerWaalsContact O-CG 3.31Å; M934-K1372 WeakPolarHBondContact O-CG 3.42Å |
| 935 | N | 62 | Low | 62.4 | Low | 39.5 Ų | 39.5 | 59.4 Ų | 59.4 | 21% | 0.211 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.5 | -23.9 | 167.6 | -78.5 | -22 | 0 | 0 | 0 | 111 | T931 V932 R933 Y939 P948 L949 F1366 D1371 K1372 Q1373 | T931-N935 WeakPolarHBondContact O-CB 3.29Å; T931-N935 VanDerWaalsContact O-CG 3.31Å; T931-N935 PolarHBondContact O-N 3.12Å; T931-N935 PolarHBondContact O-ND2 3.22Å; T931-N935 PolarHBondContact O-OD1 3.22Å; V932-N935 CarbonylContact O-C 3.58Å; V932-N935 WeakPolarHBondContact O-CA 3.25Å; V932-N935 PolarHBondContact O-N 3.15Å; R933-N935 PolarHBondContact O-N 3.13Å; N935-Y939 VanDerWaalsContact O-CB 3.24Å; N935-Y939 WeakPolarHBondContact O-CB 3.36Å; N935-Y939 PolarHBondContact O-N 3.13Å; N935-Y939 VanDerWaalsContact O-N 3.11Å; N935-P948 HydrophobicContact CB-CB 4.48Å; N935-P948 HydrophobicContact CB-CG 4.06Å; N935-P948 VanDerWaalsContact ND2-CG 3.28Å; N935-P948 WeakPolarHBondContact ND2-CG 3.48Å; N935-L949 PolarHBondContact OD1-N 3.4Å; N935-F1366 HydrophobicContact CB-CD1 3.56Å; N935-F1366 HydrophobicContact CB-CE1 3.56Å; N935-F1366 WeakPolarHBondContact ND2-CD1 3.39Å; N935-F1366 WeakPolarHBondContact ND2-CE1 3.27Å; N935-D1371 VanDerWaalsContact OD1-C 3.32Å; N935-D1371 WeakPolarHBondContact OD1-CA 3.16Å; N935-K1372 VanDerWaalsContact C-C 3.46Å; N935-K1372 VanDerWaalsContact CA-CA 3.43Å; N935-K1372 CarbonylContact O-C 3.57Å; N935-K1372 PolarHBondContact OD1-N 3.1Å; N935-Q1373 PolarHBondContact O-N 2.69Å |
| 936 | L | 59.1 | Low | 60.8 | Low | 68 Ų | 68 | 58.1 Ų | 58.1 | 36% | 0.356 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -80.3 | -42.1 | 173.2 | -97.9 | 123 | 0 | 0 | 0 | 114.1 | V932 R933 M934 Y939 I940 E1015 I1227 K1372 I1374 | V932-L936 HydrophobicContact CG1-CD1 4.07Å; V932-L936 WeakPolarHBondContact O-CB 3.4Å; V932-L936 WeakPolarHBondContact O-CD1 3.5Å; V932-L936 WeakPolarHBondContact O-CG 3.46Å; V932-L936 PolarHBondContact O-N 3.31Å; V932-L936 VanDerWaalsContact O-N 3.13Å; R933-L936 WeakPolarHBondContact O-CA 3.11Å; R933-L936 WeakPolarHBondContact O-CB 3.44Å; R933-L936 PolarHBondContact O-N 3.12Å; M934-L936 VanDerWaalsContact C-N 3.29Å; M934-L936 PolarHBondContact O-N 3.1Å; L936-Y939 PolarHBondContact O-N 3.11Å; L936-I940 WeakPolarHBondContact O-CB 3.49Å; L936-I940 WeakPolarHBondContact O-CD1 3.3Å; L936-I940 VanDerWaalsContact O-CG1 3.29Å; L936-I940 WeakPolarHBondContact O-CG1 3.31Å; L936-I940 PolarHBondContact O-N 3.31Å; L936-I940 VanDerWaalsContact O-N 3.13Å; L936-E1015 WeakPolarHBondContact CD1-OE1 3.47Å; L936-I1227 HydrophobicContact CD1-CD1 3.98Å; L936-K1372 CarbonylContact C-O 3.04Å; L936-K1372 VanDerWaalsContact CA-C 3.5Å; L936-K1372 WeakPolarHBondContact CA-O 3.28Å; L936-I1374 HydrophobicContact CD1-CD1 3.41Å; L936-I1374 VanDerWaalsContact CD1-CD1 3.41Å; L936-I1374 HydrophobicContact CD1-CG1 3.9Å; L936-I1374 HydrophobicContact CD2-CD1 4.39Å; L936-I1374 HydrophobicContact CG-CD1 4.04Å; L936-I1374 HydrophobicContact CG-CG1 4.02Å |
| 937 | E | 55.5 | Low | 59.2 | Low | 28.5 Ų | 28.5 | 61.7 Ų | 61.7 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -83.9 | -14.9 | -178.9 | -58.1 | 163.1 | 177.7 | 0 | 0 | 114.9 | T848 R933 M934 I940 N941 K1372 | T848-E937 WeakPolarHBondContact CB-OE1 3.35Å; T848-E937 WeakPolarHBondContact CB-OE2 3.37Å; R933-E937 WeakPolarHBondContact CG-OE1 3.41Å; R933-E937 IonicContact CZ-OE1 3.23Å; R933-E937 VanDerWaalsContact NE-CD 3.35Å; R933-E937 IonicContact NE-OE1 3.22Å; R933-E937 PolarHBondContact NE-OE1 2.99Å; R933-E937 IonicContact NH1-OE1 3.03Å; R933-E937 PolarHBondContact NH1-OE1 2.91Å; R933-E937 IonicContact NH2-OE1 3.19Å; R933-E937 PolarHBondContact NH2-OE1 3.29Å; R933-E937 WeakPolarHBondContact O-CB 3.36Å; R933-E937 WeakPolarHBondContact O-CG 3.47Å; R933-E937 PolarHBondContact O-N 3.17Å; R933-E937 VanDerWaalsContact O-N 3.09Å; M934-E937 HydrophobicContact CE-CB 4.24Å; M934-E937 WeakPolarHBondContact CE-OE2 3.49Å; M934-E937 PolarHBondContact O-N 3.01Å; E937-I940 PolarHBondContact O-N 3.42Å; E937-N941 WeakPolarHBondContact O-CB 3.3Å; E937-N941 PolarHBondContact O-N 3.18Å; E937-N941 PolarHBondContact O-ND2 3.32Å; E937-K1372 VanDerWaalsContact N-CB 3.31Å; E937-K1372 VanDerWaalsContact N-CG 3.35Å; E937-K1372 WeakPolarHBondContact O-CD 3.3Å; E937-K1372 WeakPolarHBondContact O-CE 3.28Å; E937-K1372 PolarHBondContact O-NZ 2.85Å; E937-K1372 WeakPolarHBondContact OE2-CE 3.5Å; E937-K1372 IonicContact OE2-NZ 3.61Å; E937-K1372 PolarHBondContact OE2-NZ 3.33Å |
| 938 | M | 55.4 | Low | 57.8 | Low | 40 Ų | 40 | 61.9 Ų | 61.9 | 20% | 0.197 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -87.8 | -37.3 | 172.6 | -91.5 | -174.6 | 80.3 | 0 | 0 | 111.6 | M934 I940 N941 D942 D945 C946 N1370 D1371 K1372 | M934-M938 HydrophobicContact CE-CG 4.03Å; M934-M938 HydrophobicContact CE-SD 3.69Å; M934-M938 VanDerWaalsContact O-CB 3.28Å; M934-M938 WeakPolarHBondContact O-CB 3.42Å; M934-M938 VanDerWaalsContact O-CG 3.26Å; M934-M938 WeakPolarHBondContact O-CG 3.28Å; M934-M938 PolarHBondContact O-N 3.16Å; M938-I940 PolarHBondContact O-N 3.12Å; M938-N941 VanDerWaalsContact C-N 3.32Å; M938-N941 HydrophobicContact CB-CB 4.48Å; M938-N941 CarbonylContact O-C 3.2Å; M938-N941 WeakPolarHBondContact O-CA 3.33Å; M938-N941 PolarHBondContact O-N 3.03Å; M938-D942 HydrophobicContact CE-CB 4.37Å; M938-D942 HydrophobicContact CG-CB 4.08Å; M938-D942 WeakPolarHBondContact CG-OD2 3.21Å; M938-D942 CarbonylContact O-C 3.53Å; M938-D942 WeakPolarHBondContact O-CA 3.49Å; M938-D942 PolarHBondContact O-N 3.25Å; M938-D945 HydrophobicContact CE-CB 4.45Å; M938-D945 WeakPolarHBondContact CE-OD2 3.48Å; M938-C946 HydrophobicContact CE-CB 3.93Å; M938-C946 WeakPolarHBondContact CE-SG 3.3Å; M938-N1370 HydrophobicContact CE-CB 4.29Å; M938-D1371 HydrophobicContact CB-CB 3.8Å; M938-D1371 HydrophobicContact CE-CB 3.85Å; M938-D1371 HydrophobicContact CG-CB 4.15Å; M938-D1371 HydrophobicContact SD-CB 3.76Å; M938-K1372 HydrophobicContact CB-CB 3.89Å; M938-K1372 HydrophobicContact CB-CD 3.6Å; M938-K1372 HydrophobicContact CB-CG 4.2Å |
| 939 | Y | 50.8 | Low | 56.6 | Low | 125.75 Ų | 125.75 | 61.7 Ų | 61.7 | 49% | 0.493 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66 | -22.8 | 173 | -162.2 | -93.2 | 0 | 0 | 0 | 112.9 | N935 L936 N941 Q1178 Q1179 D1371 K1372 Q1373 F1407 | N935-Y939 VanDerWaalsContact O-CB 3.24Å; N935-Y939 WeakPolarHBondContact O-CB 3.36Å; N935-Y939 PolarHBondContact O-N 3.13Å; N935-Y939 VanDerWaalsContact O-N 3.11Å; L936-Y939 PolarHBondContact O-N 3.11Å; Y939-N941 VanDerWaalsContact C-N 3.32Å; Y939-Q1178 VanDerWaalsContact OH-CA 3.32Å; Y939-Q1178 WeakPolarHBondContact OH-CA 3.38Å; Y939-Q1179 WeakPolarHBondContact OH-CB 3.4Å; Y939-Q1179 PolarHBondContact OH-N 3.18Å; Y939-D1371 WeakPolarHBondContact CB-O 3.12Å; Y939-D1371 PolarHBondContact N-O 2.91Å; Y939-K1372 VanDerWaalsContact CB-CA 3.49Å; Y939-K1372 WeakPolarHBondContact CB-O 3.14Å; Y939-K1372 PolarHBondContact N-O 3.49Å; Y939-Q1373 HydrophobicContact CD1-CB 3.86Å; Y939-Q1373 HydrophobicContact CG-CB 4.08Å; Y939-F1407 HydrophobicContact CE1-CD2 4.2Å; Y939-F1407 AromaticContact CE1-CE2 3.59Å; Y939-F1407 HydrophobicContact CE1-CE2 3.59Å; Y939-F1407 AromaticContact CZ-CE2 3.61Å; Y939-F1407 WeakPolarHBondContact OH-CE2 3.18Å; Y939-F1407 WeakPolarHBondContact OH-CZ 2.95Å |
| 940 | I | 50.3 | Low | 55.5 | Low | 108.75 Ų | 108.75 | 65.3 Ų | 65.3 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -79.5 | -25.7 | 173.2 | -67.1 | 170.9 | 0 | 0 | 0 | 111.9 | L936 E937 M938 Q1373 C1749 | L936-I940 WeakPolarHBondContact O-CB 3.49Å; L936-I940 WeakPolarHBondContact O-CD1 3.3Å; L936-I940 VanDerWaalsContact O-CG1 3.29Å; L936-I940 WeakPolarHBondContact O-CG1 3.31Å; L936-I940 PolarHBondContact O-N 3.31Å; L936-I940 VanDerWaalsContact O-N 3.13Å; E937-I940 PolarHBondContact O-N 3.42Å; M938-I940 PolarHBondContact O-N 3.12Å; I940-Q1373 HydrophobicContact CG1-CB 4.35Å; I940-Q1373 HydrophobicContact CG1-CG 4.38Å; I940-C1749 HydrophobicContact CG2-CB 4.17Å |
| 941 | N | 49 | Very low | 54.4 | Low | 70 Ų | 70 | 69.1 Ų | 69.1 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -111.7 | -36.5 | -170 | -63.1 | -59.2 | 0 | 0 | 0 | 114.9 | L856 R859 E937 M938 Y939 E1750 N1751 | L856-N941 HydrophobicContact CD1-CB 4.35Å; L856-N941 HydrophobicContact CD2-CB 3.74Å; R859-N941 PolarHBondContact NH1-ND2 2.89Å; E937-N941 WeakPolarHBondContact O-CB 3.3Å; E937-N941 PolarHBondContact O-N 3.18Å; E937-N941 PolarHBondContact O-ND2 3.32Å; M938-N941 VanDerWaalsContact C-N 3.32Å; M938-N941 HydrophobicContact CB-CB 4.48Å; M938-N941 CarbonylContact O-C 3.2Å; M938-N941 WeakPolarHBondContact O-CA 3.33Å; M938-N941 PolarHBondContact O-N 3.03Å; Y939-N941 VanDerWaalsContact C-N 3.32Å; N941-E1750 PolarHBondContact ND2-O 3.22Å; N941-E1750 PolarHBondContact OD1-N 2.83Å; N941-E1750 PolarHBondContact OD1-O 3.04Å; N941-N1751 HydrophobicContact CB-CB 3.66Å; N941-N1751 WeakPolarHBondContact O-CB 3.44Å; N941-N1751 PolarHBondContact O-ND2 3.26Å; N941-N1751 PolarHBondContact OD1-N 3.22Å |
| 942 | D | 44.9 | Very low | 53.5 | Low | 46 Ų | 46 | 71.3 Ų | 71.3 | 25% | 0.246 | 38% | 0.38 | C | S | . | . | trans | -115.5 | 101.5 | -177.9 | -63.5 | -39.3 | 0 | 0 | 0 | 109.2 | K860 M938 S944 N1751 | K860-D942 WeakPolarHBondContact CE-OD2 3.43Å; K860-D942 IonicContact NZ-OD1 2.59Å; K860-D942 IonicContact NZ-OD2 3.49Å; K860-D942 PolarHBondContact NZ-OD2 3.09Å; M938-D942 HydrophobicContact CE-CB 4.37Å; M938-D942 HydrophobicContact CG-CB 4.08Å; M938-D942 WeakPolarHBondContact CG-OD2 3.21Å; M938-D942 CarbonylContact O-C 3.53Å; M938-D942 WeakPolarHBondContact O-CA 3.49Å; M938-D942 PolarHBondContact O-N 3.25Å; D942-S944 PolarHBondContact O-N 3.07Å; D942-N1751 PolarHBondContact OD1-ND2 3.36Å | ||
| 943 | A | 38.5 | Very low | 52.6 | Low | 88.75 Ų | 88.75 | 75.2 Ų | 75.2 | 73% | 0.733 | 39% | 0.389 | S | S | * | . | trans | -71.8 | 37.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D945 E1754 | A943-D945 PolarHBondContact O-N 3.23Å; A943-E1754 VanDerWaalsContact CB-OE2 3.3Å; A943-E1754 WeakPolarHBondContact CB-OE2 3.48Å; A943-E1754 PolarHBondContact N-OE2 3.47Å | ||
| 944 | S | 42.4 | Very low | 51.8 | Low | 81.5 Ų | 81.5 | 75.8 Ų | 75.8 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -134.7 | 71.2 | 179.6 | 53 | 0 | 0 | 0 | 0 | 115.7 | D942 C946 E1754 | D942-S944 PolarHBondContact O-N 3.07Å; S944-C946 PolarHBondContact O-N 3.18Å; S944-E1754 PolarHBondContact OG-OE1 3.37Å |
| 945 | D | 48.1 | Very low | 51.4 | Low | 121.5 Ų | 121.5 | 76.1 Ų | 76.1 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -15.5 | -11.1 | 178.9 | -78.3 | -7 | 0 | 0 | 0 | 117.8 | M938 A943 I947 | M938-D945 HydrophobicContact CE-CB 4.45Å; M938-D945 WeakPolarHBondContact CE-OD2 3.48Å; A943-D945 PolarHBondContact O-N 3.23Å; D945-I947 VanDerWaalsContact C-N 3.27Å; D945-I947 PolarHBondContact O-N 3.28Å |
| 946 | C | 49.5 | Very low | 51 | Low | 54.5 Ų | 54.5 | 77 Ų | 77 | 37% | 0.368 | 41% | 0.414 | S | S | . | . | trans | -95.1 | 98.9 | -175.3 | -105.7 | 0 | 0 | 0 | 0 | 113 | M938 S944 N1370 | M938-C946 HydrophobicContact CE-CB 3.93Å; M938-C946 WeakPolarHBondContact CE-SG 3.3Å; S944-C946 PolarHBondContact O-N 3.18Å; C946-N1370 VanDerWaalsContact CB-O 3.28Å; C946-N1370 WeakPolarHBondContact CB-O 3.42Å | ||
| 947 | I | 51 | Low | 51 | Low | 76.5 Ų | 76.5 | 77.3 Ų | 77.3 | 39% | 0.392 | 42% | 0.422 | S | S | . | . | trans | -69.2 | 127.4 | 174.8 | -55 | 171.9 | 0 | 0 | 0 | 109.6 | D945 R951 S952 I954 | D945-I947 VanDerWaalsContact C-N 3.27Å; D945-I947 PolarHBondContact O-N 3.28Å; I947-R951 VanDerWaalsContact CG2-C 3.43Å; I947-R951 HydrophobicContact CG2-CB 3.49Å; I947-R951 VanDerWaalsContact CG2-CB 3.47Å; I947-R951 WeakPolarHBondContact CG2-O 3.26Å; I947-S952 WeakPolarHBondContact O-CB 3.37Å; I947-S952 PolarHBondContact O-OG 2.93Å; I947-I954 HydrophobicContact CD1-CG1 4.41Å; I947-I954 HydrophobicContact CG2-CD1 4.38Å; I947-I954 HydrophobicContact CG2-CG1 4.44Å | ||
| 948 | P | 52.8 | Low | 51.1 | Low | 26.75 Ų | 26.75 | 78.1 Ų | 78.1 | 17% | 0.174 | 43% | 0.425 | C | S | . | . | trans | -59.5 | 144.8 | 177.4 | 0.5 | -0.8 | 0 | 0 | 0 | 111.8 | N935 K950 R951 S952 | N935-P948 HydrophobicContact CB-CB 4.48Å; N935-P948 HydrophobicContact CB-CG 4.06Å; N935-P948 VanDerWaalsContact ND2-CG 3.28Å; N935-P948 WeakPolarHBondContact ND2-CG 3.48Å; P948-K950 VanDerWaalsContact C-N 3.29Å; P948-K950 PolarHBondContact O-N 2.89Å; P948-K950 VanDerWaalsContact O-N 3.08Å; P948-R951 HydrophobicContact CG-CB 4.45Å; P948-R951 CarbonylContact O-C 3.35Å; P948-R951 VanDerWaalsContact O-CA 3.29Å; P948-R951 WeakPolarHBondContact O-CA 3.4Å; P948-R951 WeakPolarHBondContact O-CB 3.45Å; P948-R951 PolarHBondContact O-N 3.34Å; P948-S952 PolarHBondContact O-N 3.02Å; P948-S952 VanDerWaalsContact O-N 3.1Å; P948-S952 PolarHBondContact O-OG 3.14Å | ||
| 949 | L | 53.8 | Low | 51.5 | Low | 73 Ų | 73 | 81.6 Ų | 81.6 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.6 | -174.3 | -152.7 | 91.6 | 0 | 0 | 0 | 114.7 | T931 N935 R951 S952 W953 | T931-L949 HydrophobicContact CG2-CD2 3.98Å; N935-L949 PolarHBondContact OD1-N 3.4Å; L949-R951 VanDerWaalsContact C-N 3.3Å; L949-R951 PolarHBondContact O-N 3.22Å; L949-R951 VanDerWaalsContact O-N 3.07Å; L949-S952 VanDerWaalsContact CA-OG 3.3Å; L949-S952 WeakPolarHBondContact CA-OG 3.41Å; L949-S952 WeakPolarHBondContact CB-OG 3.14Å; L949-S952 WeakPolarHBondContact CD1-OG 3.3Å; L949-S952 WeakPolarHBondContact CG-OG 3.34Å; L949-S952 PolarHBondContact O-N 3.43Å; L949-S952 VanDerWaalsContact O-N 3.11Å; L949-S952 PolarHBondContact O-OG 3.37Å; L949-W953 WeakPolarHBondContact O-CB 3.35Å; L949-W953 PolarHBondContact O-N 2.97Å |
| 950 | K | 52.4 | Low | 52.1 | Low | 145.5 Ų | 145.5 | 76.1 Ų | 76.1 | 63% | 0.633 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -7.9 | 173.2 | -133.2 | -164 | 175.9 | -167.3 | 0 | 113.8 | P948 W953 | P948-K950 VanDerWaalsContact C-N 3.29Å; P948-K950 PolarHBondContact O-N 2.89Å; P948-K950 VanDerWaalsContact O-N 3.08Å; K950-W953 VanDerWaalsContact O-CD1 3.28Å; K950-W953 PolarHBondContact O-NE1 2.87Å |
| 951 | R | 52.8 | Low | 52.7 | Low | 86.25 Ų | 86.25 | 72.2 Ų | 72.2 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -5.2 | 172.7 | -70.8 | -172 | 160.9 | 167.1 | 0.8 | 113 | I947 P948 L949 W953 I954 N1010 E1015 A1176 T1177 Q1178 | I947-R951 VanDerWaalsContact CG2-C 3.43Å; I947-R951 HydrophobicContact CG2-CB 3.49Å; I947-R951 VanDerWaalsContact CG2-CB 3.47Å; I947-R951 WeakPolarHBondContact CG2-O 3.26Å; P948-R951 HydrophobicContact CG-CB 4.45Å; P948-R951 CarbonylContact O-C 3.35Å; P948-R951 VanDerWaalsContact O-CA 3.29Å; P948-R951 WeakPolarHBondContact O-CA 3.4Å; P948-R951 WeakPolarHBondContact O-CB 3.45Å; P948-R951 PolarHBondContact O-N 3.34Å; L949-R951 VanDerWaalsContact C-N 3.3Å; L949-R951 PolarHBondContact O-N 3.22Å; L949-R951 VanDerWaalsContact O-N 3.07Å; R951-W953 VanDerWaalsContact C-N 3.3Å; R951-W953 CarbonylContact O-C 3.38Å; R951-W953 PolarHBondContact O-N 3.04Å; R951-W953 VanDerWaalsContact O-N 3.11Å; R951-I954 HydrophobicContact CG-CD1 4.35Å; R951-I954 WeakPolarHBondContact O-CB 3.38Å; R951-I954 WeakPolarHBondContact O-CG2 3.27Å; R951-I954 PolarHBondContact O-N 2.96Å; R951-N1010 PolarHBondContact O-ND2 3.16Å; R951-E1015 IonicContact CZ-OE1 3.25Å; R951-E1015 IonicContact CZ-OE2 3.93Å; R951-E1015 IonicContact NE-OE1 2.96Å; R951-E1015 PolarHBondContact NE-OE1 3.12Å; R951-E1015 IonicContact NH1-OE1 3.59Å; R951-E1015 PolarHBondContact NH1-OE1 3.24Å; R951-E1015 IonicContact NH1-OE2 4Å; R951-E1015 PolarHBondContact NH1-OE2 2.66Å; R951-E1015 VanDerWaalsContact NH2-CD 3.28Å; R951-E1015 IonicContact NH2-OE1 2.73Å; R951-E1015 PolarHBondContact NH2-OE1 3.26Å; R951-E1015 IonicContact NH2-OE2 3.12Å; R951-E1015 PolarHBondContact NH2-OE2 3.45Å; R951-A1176 PolarHBondContact NH2-O 3.25Å; R951-T1177 VanDerWaalsContact CZ-C 3.48Å; R951-T1177 PolarHBondContact NH1-O 2.87Å; R951-T1177 PolarHBondContact NH2-O 3.45Å; R951-Q1178 WeakPolarHBondContact CD-O 3.08Å; R951-Q1178 PolarHBondContact NE-O 3Å |
| 952 | S | 54.6 | Low | 53.4 | Low | 67.25 Ų | 67.25 | 69 Ų | 69 | 47% | 0.47 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -75.8 | -3.7 | -176.5 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | I947 P948 L949 I954 | I947-S952 WeakPolarHBondContact O-CB 3.37Å; I947-S952 PolarHBondContact O-OG 2.93Å; P948-S952 PolarHBondContact O-N 3.02Å; P948-S952 VanDerWaalsContact O-N 3.1Å; P948-S952 PolarHBondContact O-OG 3.14Å; L949-S952 VanDerWaalsContact CA-OG 3.3Å; L949-S952 WeakPolarHBondContact CA-OG 3.41Å; L949-S952 WeakPolarHBondContact CB-OG 3.14Å; L949-S952 WeakPolarHBondContact CD1-OG 3.3Å; L949-S952 WeakPolarHBondContact CG-OG 3.34Å; L949-S952 PolarHBondContact O-N 3.43Å; L949-S952 VanDerWaalsContact O-N 3.11Å; L949-S952 PolarHBondContact O-OG 3.37Å; S952-I954 PolarHBondContact O-N 2.71Å |
| 953 | W | 51.5 | Low | 54.1 | Low | 135 Ų | 135 | 67.7 Ų | 67.7 | 51% | 0.511 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -104.5 | 130 | 167.3 | 96.7 | -15.8 | 0 | 0 | 0 | 110.2 | L949 K950 R951 G955 N1010 E1099 L1100 | L949-W953 WeakPolarHBondContact O-CB 3.35Å; L949-W953 PolarHBondContact O-N 2.97Å; K950-W953 VanDerWaalsContact O-CD1 3.28Å; K950-W953 PolarHBondContact O-NE1 2.87Å; R951-W953 VanDerWaalsContact C-N 3.3Å; R951-W953 CarbonylContact O-C 3.38Å; R951-W953 PolarHBondContact O-N 3.04Å; R951-W953 VanDerWaalsContact O-N 3.11Å; W953-G955 PolarHBondContact O-N 3.32Å; W953-N1010 VanDerWaalsContact CD1-OD1 3.27Å; W953-N1010 VanDerWaalsContact CD2-ND2 3.27Å; W953-N1010 PolarHBondContact NE1-ND2 3.35Å; W953-N1010 PolarHBondContact NE1-OD1 3.03Å; W953-N1010 WeakPolarHBondContact O-CB 3.41Å; W953-N1010 PolarHBondContact O-ND2 3.13Å; W953-N1010 VanDerWaalsContact O-ND2 3.12Å; W953-N1010 PolarHBondContact O-OD1 3.2Å; W953-E1099 VanDerWaalsContact CH2-CD 3.48Å; W953-E1099 HydrophobicContact CH2-CG 4.09Å; W953-L1100 HydrophobicContact CZ2-CD1 3.92Å |
| 954 | I | 49.9 | Very low | 54.9 | Low | 89 Ų | 89 | 63.8 Ų | 63.8 | 46% | 0.456 | 34% | 0.344 | S | S | . | . | trans | -67.5 | 97 | 168.3 | -72.8 | 172.5 | 0 | 0 | 0 | 109.5 | I947 R951 S952 H1008 G1009 N1010 | I947-I954 HydrophobicContact CD1-CG1 4.41Å; I947-I954 HydrophobicContact CG2-CD1 4.38Å; I947-I954 HydrophobicContact CG2-CG1 4.44Å; R951-I954 HydrophobicContact CG-CD1 4.35Å; R951-I954 WeakPolarHBondContact O-CB 3.38Å; R951-I954 WeakPolarHBondContact O-CG2 3.27Å; R951-I954 PolarHBondContact O-N 2.96Å; S952-I954 PolarHBondContact O-N 2.71Å; I954-H1008 HydrophobicContact CG2-CB 3.75Å; I954-H1008 CarbonylContact O-C 3.44Å; I954-H1008 VanDerWaalsContact O-C 3.27Å; I954-H1008 WeakPolarHBondContact O-CB 3.43Å; I954-H1008 VanDerWaalsContact O-CG 3.31Å; I954-H1008 PolarHBondContact O-ND1 2.83Å; I954-G1009 PolarHBondContact O-N 3.05Å; I954-N1010 WeakPolarHBondContact O-CB 3.21Å; I954-N1010 PolarHBondContact O-N 2.92Å; I954-N1010 PolarHBondContact O-ND2 3.12Å; I954-N1010 PolarHBondContact O-OD1 3.38Å | ||
| 955 | G | 55.2 | Low | 55.4 | Low | 25.5 Ų | 25.5 | 63.8 Ų | 63.8 | 26% | 0.263 | 34% | 0.335 | S | S | . | . | trans | -135.2 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W953 S957 H1008 N1010 L1100 | W953-G955 PolarHBondContact O-N 3.32Å; G955-S957 PolarHBondContact O-N 2.87Å; G955-H1008 PolarHBondContact O-CE1 3.36Å; G955-H1008 VanDerWaalsContact O-CE1 3.29Å; G955-N1010 WeakPolarHBondContact CA-ND2 3.21Å; G955-N1010 WeakPolarHBondContact CA-OD1 2.95Å; G955-N1010 PolarHBondContact N-ND2 3.28Å; G955-L1100 VanDerWaalsContact CA-CD1 3.41Å; G955-L1100 WeakPolarHBondContact O-CD1 3.48Å | ||
| 956 | S | 53.4 | Low | 55.2 | Low | 58.5 Ų | 58.5 | 60.2 Ų | 60.2 | 41% | 0.409 | 33% | 0.326 | S | S | . | . | trans | -79.3 | 142.7 | 172.4 | 40.5 | 0 | 0 | 0 | 0 | 112 | F958 H1008 G1009 I1096 D1097 L1100 F1115 | S956-F958 WeakPolarHBondContact OG-CE2 3.3Å; S956-H1008 CarbonylContact O-C 3.44Å; S956-H1008 WeakPolarHBondContact O-CA 3.36Å; S956-G1009 PolarHBondContact O-N 2.92Å; S956-I1096 PolarHBondContact OG-O 2.91Å; S956-D1097 WeakPolarHBondContact CB-OD1 3.02Å; S956-D1097 VanDerWaalsContact OG-CA 3.22Å; S956-D1097 WeakPolarHBondContact OG-CA 3.11Å; S956-D1097 PolarHBondContact OG-N 2.84Å; S956-D1097 PolarHBondContact OG-OD1 2.89Å; S956-L1100 VanDerWaalsContact N-CD1 3.33Å; S956-L1100 VanDerWaalsContact O-CB 3.25Å; S956-L1100 WeakPolarHBondContact O-CB 3.37Å; S956-L1100 VanDerWaalsContact O-CD1 3.3Å; S956-L1100 WeakPolarHBondContact O-CD1 3.42Å; S956-L1100 WeakPolarHBondContact O-CD2 3.35Å; S956-L1100 WeakPolarHBondContact O-CG 3.46Å; S956-F1115 WeakPolarHBondContact OG-CE2 3.38Å; S956-F1115 WeakPolarHBondContact OG-CZ 3.3Å | ||
| 957 | S | 59.5 | Low | 55 | Low | 74.25 Ų | 74.25 | 58.8 Ų | 58.8 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 136.1 | 172.6 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | G955 V1007 | G955-S957 PolarHBondContact O-N 2.87Å; S957-V1007 CarbonylContact C-O 3.57Å; S957-V1007 VanDerWaalsContact CA-O 3.25Å; S957-V1007 WeakPolarHBondContact CA-O 3.41Å; S957-V1007 WeakPolarHBondContact CB-O 2.97Å; S957-V1007 PolarHBondContact OG-O 2.91Å |
| 958 | F | 57.7 | Low | 54.4 | Low | 46.25 Ų | 46.25 | 57.6 Ų | 57.6 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 156.7 | 170.8 | 60.9 | -104.3 | 0 | 0 | 0 | 112 | S956 L960 V1007 I1079 L1100 L1101 L1104 F1105 F1115 L1131 T1463 T1464 N1465 N1466 | S956-F958 WeakPolarHBondContact OG-CE2 3.3Å; F958-L960 HydrophobicContact CD2-CB 4.36Å; F958-L960 HydrophobicContact CE2-CB 4.1Å; F958-L960 HydrophobicContact CE2-CD1 4.05Å; F958-L960 HydrophobicContact CE2-CG 4.29Å; F958-L960 HydrophobicContact CZ-CB 4.1Å; F958-L960 HydrophobicContact CZ-CD1 3.9Å; F958-L960 PolarHBondContact O-N 3.38Å; F958-V1007 HydrophobicContact CD2-CG2 4.05Å; F958-V1007 HydrophobicContact CE1-CG1 4.45Å; F958-V1007 HydrophobicContact CE2-CB 4.24Å; F958-V1007 HydrophobicContact CE2-CG1 4.29Å; F958-V1007 HydrophobicContact CE2-CG2 3.67Å; F958-V1007 HydrophobicContact CZ-CB 4.3Å; F958-V1007 HydrophobicContact CZ-CG1 3.93Å; F958-V1007 HydrophobicContact CZ-CG2 3.98Å; F958-V1007 PolarHBondContact N-O 3.22Å; F958-V1007 PolarHBondContact O-N 3.31Å; F958-V1007 VanDerWaalsContact O-O 3.07Å; F958-I1079 HydrophobicContact CD2-CG1 4.35Å; F958-I1079 HydrophobicContact CE2-CD1 3.68Å; F958-I1079 HydrophobicContact CE2-CG1 3.81Å; F958-I1079 HydrophobicContact CZ-CD1 4.31Å; F958-L1100 HydrophobicContact CD1-CD2 3.46Å; F958-L1100 VanDerWaalsContact CD1-CD2 3.46Å; F958-L1100 HydrophobicContact CE1-CD2 3.81Å; F958-L1101 HydrophobicContact CB-CD1 4.48Å; F958-L1101 HydrophobicContact CB-CG 4.18Å; F958-L1101 HydrophobicContact CD1-CB 4.46Å; F958-L1101 HydrophobicContact CD1-CD2 4.09Å; F958-L1101 HydrophobicContact CD1-CG 3.77Å; F958-L1101 HydrophobicContact CD2-CD2 3.46Å; F958-L1101 VanDerWaalsContact CD2-CD2 3.46Å; F958-L1101 HydrophobicContact CD2-CG 3.87Å; F958-L1101 HydrophobicContact CE1-CB 4.41Å; F958-L1101 HydrophobicContact CE1-CD2 3.99Å; F958-L1101 HydrophobicContact CE1-CG 4Å; F958-L1101 HydrophobicContact CE2-CD2 3.75Å; F958-L1101 HydrophobicContact CE2-CG 4.1Å; F958-L1101 HydrophobicContact CG-CD1 4.45Å; F958-L1101 HydrophobicContact CG-CD2 3.82Å; F958-L1101 HydrophobicContact CG-CG 3.67Å; F958-L1101 HydrophobicContact CZ-CD2 3.62Å; F958-L1101 HydrophobicContact CZ-CG 4.07Å; F958-L1104 HydrophobicContact CE1-CB 3.6Å; F958-L1104 HydrophobicContact CE1-CD1 3.95Å; F958-L1104 HydrophobicContact CE1-CD2 3.83Å; F958-L1104 HydrophobicContact CE1-CG 3.97Å; F958-L1104 HydrophobicContact CE2-CD2 4.45Å; F958-L1104 HydrophobicContact CZ-CB 3.54Å; F958-L1104 HydrophobicContact CZ-CD1 4.45Å; F958-L1104 HydrophobicContact CZ-CD2 3.49Å; F958-L1104 VanDerWaalsContact CZ-CD2 3.49Å; F958-L1104 HydrophobicContact CZ-CG 3.98Å; F958-F1105 AromaticContact CD1-CZ 3.93Å; F958-F1105 HydrophobicContact CD1-CZ 3.93Å; F958-F1105 HydrophobicContact CE1-CE1 4.11Å; F958-F1105 AromaticContact CE1-CZ 3.53Å; F958-F1105 HydrophobicContact CE1-CZ 3.53Å; F958-F1105 HydrophobicContact CE2-CE1 4.13Å; F958-F1105 HydrophobicContact CE2-CZ 4.31Å; F958-F1105 HydrophobicContact CG-CZ 4.46Å; F958-F1105 AromaticContact CZ-CE1 3.8Å; F958-F1105 HydrophobicContact CZ-CE1 3.8Å; F958-F1105 AromaticContact CZ-CZ 3.73Å; F958-F1105 HydrophobicContact CZ-CZ 3.73Å; F958-F1115 HydrophobicContact CB-CE2 4.22Å; F958-F1115 HydrophobicContact CD1-CE2 4.16Å; F958-F1115 HydrophobicContact CD1-CZ 4.36Å; F958-F1115 HydrophobicContact CG-CE2 4.43Å; F958-L1131 HydrophobicContact CD2-CD1 3.49Å; F958-L1131 VanDerWaalsContact CD2-CD1 3.49Å; F958-L1131 HydrophobicContact CE2-CD1 3.46Å; F958-L1131 VanDerWaalsContact CE2-CD1 3.46Å; F958-L1131 HydrophobicContact CG-CD1 4.46Å; F958-L1131 HydrophobicContact CZ-CD1 4.41Å; F958-T1463 HydrophobicContact CE2-CG2 3.93Å; F958-T1463 HydrophobicContact CZ-CG2 4.05Å; F958-T1464 WeakPolarHBondContact CD2-OG1 3.14Å; F958-T1464 HydrophobicContact CE2-CG2 4.38Å; F958-T1464 WeakPolarHBondContact CE2-OG1 3.41Å; F958-T1464 CarbonylContact O-C 3.15Å; F958-T1464 WeakPolarHBondContact O-CB 3.3Å; F958-T1464 PolarHBondContact O-OG1 3.31Å; F958-N1465 CarbonylContact C-O 3.01Å; F958-N1465 PolarHBondContact O-N 3.26Å; F958-N1466 PolarHBondContact N-OD1 3.26Å; F958-N1466 VanDerWaalsContact N-OD1 3.13Å |
| 959 | F | 62.5 | Low | 53.7 | Low | 114 Ų | 114 | 60.3 Ų | 60.3 | 50% | 0.5 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123.3 | -174.2 | -77.7 | -84.2 | 0 | 0 | 0 | 109.6 | T961 T1004 L1005 I1006 M1072 N1465 N1466 | F959-T961 PolarHBondContact O-N 2.94Å; F959-T961 VanDerWaalsContact O-N 3.16Å; F959-T961 PolarHBondContact O-OG1 2.93Å; F959-T961 VanDerWaalsContact O-OG1 3.13Å; F959-T1004 HydrophobicContact CB-CG2 4.05Å; F959-T1004 HydrophobicContact CD1-CG2 3.78Å; F959-T1004 WeakPolarHBondContact CD1-OG1 3.3Å; F959-T1004 HydrophobicContact CG-CG2 4.32Å; F959-L1005 CarbonylContact C-O 3.5Å; F959-L1005 WeakPolarHBondContact CA-O 3.37Å; F959-L1005 WeakPolarHBondContact CD1-O 3.41Å; F959-L1005 VanDerWaalsContact CE1-O 3.23Å; F959-L1005 WeakPolarHBondContact CE1-O 3.31Å; F959-I1006 HydrophobicContact CD1-CD1 4.42Å; F959-I1006 HydrophobicContact CD1-CG1 3.69Å; F959-I1006 HydrophobicContact CE1-CD1 3.7Å; F959-I1006 HydrophobicContact CE1-CG1 3.75Å; F959-I1006 VanDerWaalsContact CE1-CG1 3.47Å; F959-I1006 HydrophobicContact CZ-CD1 4.18Å; F959-I1006 HydrophobicContact CZ-CG1 4.19Å; F959-M1072 HydrophobicContact CD2-CE 4.2Å; F959-M1072 HydrophobicContact CD2-SD 3.76Å; F959-M1072 HydrophobicContact CE2-CE 3.5Å; F959-M1072 HydrophobicContact CE2-SD 3.67Å; F959-M1072 HydrophobicContact CZ-CE 4.36Å; F959-N1465 CarbonylContact C-O 3.58Å; F959-N1465 VanDerWaalsContact C-O 3.24Å; F959-N1465 WeakPolarHBondContact CA-O 3.44Å; F959-N1465 PolarHBondContact N-O 3.5Å; F959-N1466 WeakPolarHBondContact CA-ND2 3.49Å; F959-N1466 WeakPolarHBondContact CD1-ND2 3.11Å |
| 960 | L | 65.2 | Low | 52.9 | Low | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.3 | 177.9 | -173.1 | 108.4 | 0 | 0 | 0 | 109.9 | F958 V962 I987 T1004 L1005 V1007 L1016 L1075 L1077 I1079 N1098 L1101 L1104 F1108 L1131 L1133 N1466 | F958-L960 HydrophobicContact CD2-CB 4.36Å; F958-L960 HydrophobicContact CE2-CB 4.1Å; F958-L960 HydrophobicContact CE2-CD1 4.05Å; F958-L960 HydrophobicContact CE2-CG 4.29Å; F958-L960 HydrophobicContact CZ-CB 4.1Å; F958-L960 HydrophobicContact CZ-CD1 3.9Å; F958-L960 PolarHBondContact O-N 3.38Å; L960-V962 HydrophobicContact CD2-CG2 3.83Å; L960-V962 VanDerWaalsContact CD2-CG2 3.47Å; L960-V962 HydrophobicContact CG-CG2 3.94Å; L960-I987 HydrophobicContact CB-CD1 4.5Å; L960-I987 HydrophobicContact CD1-CD1 4.05Å; L960-I987 HydrophobicContact CD2-CD1 3.92Å; L960-I987 HydrophobicContact CG-CD1 3.49Å; L960-I987 VanDerWaalsContact CG-CD1 3.49Å; L960-T1004 WeakPolarHBondContact O-CA 3.37Å; L960-L1005 WeakPolarHBondContact CA-O 3.3Å; L960-L1005 HydrophobicContact CB-CD1 4.24Å; L960-L1005 VanDerWaalsContact CB-O 3.25Å; L960-L1005 WeakPolarHBondContact CB-O 3.24Å; L960-L1005 HydrophobicContact CD2-CB 4.42Å; L960-L1005 HydrophobicContact CD2-CD1 4.04Å; L960-L1005 PolarHBondContact N-O 2.93Å; L960-L1005 WeakPolarHBondContact O-CA 3.5Å; L960-L1005 WeakPolarHBondContact O-CB 3.33Å; L960-L1005 WeakPolarHBondContact O-CG 3.15Å; L960-L1005 PolarHBondContact O-N 3.14Å; L960-V1007 HydrophobicContact CB-CB 4.41Å; L960-V1007 HydrophobicContact CB-CG2 3.76Å; L960-V1007 VanDerWaalsContact CB-CG2 3.48Å; L960-V1007 HydrophobicContact CD1-CG2 4.28Å; L960-V1007 HydrophobicContact CD2-CG2 4.04Å; L960-V1007 HydrophobicContact CG-CG2 4.4Å; L960-L1016 HydrophobicContact CD1-CD1 4.25Å; L960-L1016 HydrophobicContact CD2-CD1 3.92Å; L960-L1016 HydrophobicContact CD2-CD2 3.9Å; L960-L1016 HydrophobicContact CD2-CG 4.41Å; L960-L1075 HydrophobicContact CD1-CD2 3.87Å; L960-L1075 HydrophobicContact CG-CD2 4.27Å; L960-L1077 HydrophobicContact CD1-CD1 3.63Å; L960-L1077 HydrophobicContact CD1-CD2 4.24Å; L960-L1077 HydrophobicContact CD2-CD1 3.35Å; L960-L1077 HydrophobicContact CG-CD1 3.44Å; L960-L1077 VanDerWaalsContact CG-CD1 3.44Å; L960-I1079 HydrophobicContact CD1-CD1 3.94Å; L960-I1079 HydrophobicContact CD1-CG1 4.28Å; L960-N1098 HydrophobicContact CD2-CB 4.28Å; L960-N1098 VanDerWaalsContact CD2-CG 3.42Å; L960-N1098 WeakPolarHBondContact CD2-ND2 3.16Å; L960-N1098 WeakPolarHBondContact CD2-OD1 3.45Å; L960-L1101 HydrophobicContact CD2-CD2 4.37Å; L960-L1104 HydrophobicContact CB-CD2 4.13Å; L960-L1104 HydrophobicContact CD1-CD2 3.74Å; L960-L1104 HydrophobicContact CD2-CD2 3.63Å; L960-L1104 HydrophobicContact CG-CD2 3.97Å; L960-F1108 HydrophobicContact CD1-CE2 4.05Å; L960-F1108 HydrophobicContact CD1-CZ 4.08Å; L960-F1108 HydrophobicContact CD2-CE2 4.39Å; L960-F1108 HydrophobicContact CD2-CZ 4.06Å; L960-L1131 HydrophobicContact CD1-CB 3.97Å; L960-L1133 HydrophobicContact CD1-CD1 3.87Å; L960-L1133 HydrophobicContact CD1-CG 4.09Å; L960-L1133 HydrophobicContact CD2-CD1 4.16Å; L960-L1133 HydrophobicContact CG-CD1 4.49Å; L960-N1466 HydrophobicContact CB-CB 4.16Å |
| 961 | T | 61.5 | Low | 52 | Low | 26.25 Ų | 26.25 | 55.4 Ų | 55.4 | 16% | 0.161 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.3 | -176.2 | -39.3 | 0 | 0 | 0 | 0 | 108.6 | F959 T963 I987 I1003 T1004 Q1074 L1075 E1076 L1077 R1078 I1079 I1080 H1130 L1131 E1132 L1133 | F959-T961 PolarHBondContact O-N 2.94Å; F959-T961 VanDerWaalsContact O-N 3.16Å; F959-T961 PolarHBondContact O-OG1 2.93Å; F959-T961 VanDerWaalsContact O-OG1 3.13Å; T961-T963 HydrophobicContact CG2-CG2 4.31Å; T961-I987 VanDerWaalsContact O-CD1 3.3Å; T961-I987 WeakPolarHBondContact O-CD1 3.44Å; T961-I1003 CarbonylContact C-O 3.13Å; T961-I1003 VanDerWaalsContact CA-O 3.31Å; T961-I1003 WeakPolarHBondContact CA-O 3.43Å; T961-T1004 HydrophobicContact CG2-CG2 3.85Å; T961-T1004 WeakPolarHBondContact OG1-CA 3.2Å; T961-T1004 VanDerWaalsContact OG1-CB 3.29Å; T961-T1004 WeakPolarHBondContact OG1-CB 3.33Å; T961-T1004 PolarHBondContact OG1-OG1 2.97Å; T961-Q1074 PolarHBondContact OG1-NE2 3.46Å; T961-L1075 PolarHBondContact N-O 2.92Å; T961-E1076 CarbonylContact O-C 3.52Å; T961-E1076 WeakPolarHBondContact O-CA 3.28Å; T961-L1077 CarbonylContact O-C 3.6Å; T961-L1077 WeakPolarHBondContact O-CA 3.15Å; T961-L1077 PolarHBondContact O-N 3.47Å; T961-R1078 VanDerWaalsContact C-C 3.41Å; T961-R1078 VanDerWaalsContact C-N 3.27Å; T961-R1078 CarbonylContact C-O 3.46Å; T961-R1078 WeakPolarHBondContact CA-O 3.34Å; T961-R1078 WeakPolarHBondContact CB-O 3.38Å; T961-R1078 HydrophobicContact CG2-CB 4.35Å; T961-R1078 WeakPolarHBondContact CG2-O 3.45Å; T961-R1078 CarbonylContact O-C 3.51Å; T961-R1078 WeakPolarHBondContact O-CA 3.47Å; T961-R1078 PolarHBondContact O-N 2.7Å; T961-I1079 PolarHBondContact O-N 3.2Å; T961-I1080 HydrophobicContact CG2-CD1 4.43Å; T961-H1130 PolarHBondContact OG1-CE1 2.94Å; T961-H1130 PolarHBondContact OG1-ND1 3.3Å; T961-L1131 PolarHBondContact N-O 2.97Å; T961-E1132 WeakPolarHBondContact O-CA 3.19Å; T961-L1133 PolarHBondContact O-N 3.36Å |
| 962 | V | 64.9 | Low | 50.9 | Low | 2.25 Ų | 2.25 | 54.9 Ų | 54.9 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 0 | -162 | 164.7 | 0 | 0 | 0 | 0 | 109.7 | L960 C964 D985 I986 I987 T1002 I1003 L1005 L1020 E1076 L1077 R1078 I1079 L1133 A1135 | L960-V962 HydrophobicContact CD2-CG2 3.83Å; L960-V962 VanDerWaalsContact CD2-CG2 3.47Å; L960-V962 HydrophobicContact CG-CG2 3.94Å; V962-C964 PolarHBondContact O-N 3.16Å; V962-D985 VanDerWaalsContact CA-C 3.44Å; V962-D985 WeakPolarHBondContact CG1-O 3.35Å; V962-D985 WeakPolarHBondContact O-CA 3.47Å; V962-I986 CarbonylContact C-O 3.59Å; V962-I987 VanDerWaalsContact CA-N 3.31Å; V962-I987 HydrophobicContact CG2-CD1 4.42Å; V962-I987 VanDerWaalsContact CG2-N 3.32Å; V962-T1002 CarbonylContact O-C 3.48Å; V962-T1002 VanDerWaalsContact O-CA 3.26Å; V962-T1002 WeakPolarHBondContact O-CA 3.39Å; V962-I1003 HydrophobicContact CB-CB 4.13Å; V962-I1003 HydrophobicContact CB-CD1 4.3Å; V962-I1003 HydrophobicContact CB-CG1 3.79Å; V962-I1003 VanDerWaalsContact CB-O 3.29Å; V962-I1003 WeakPolarHBondContact CB-O 3.03Å; V962-I1003 HydrophobicContact CG1-CB 4.23Å; V962-I1003 HydrophobicContact CG1-CD1 3.71Å; V962-I1003 HydrophobicContact CG1-CG1 3.69Å; V962-I1003 WeakPolarHBondContact CG1-O 3.35Å; V962-I1003 HydrophobicContact CG2-CB 4.03Å; V962-I1003 WeakPolarHBondContact CG2-O 3.35Å; V962-I1003 PolarHBondContact N-O 3.17Å; V962-I1003 PolarHBondContact O-N 3.12Å; V962-L1005 HydrophobicContact CG2-CD1 3.89Å; V962-L1005 HydrophobicContact CG2-CD2 4.36Å; V962-L1005 HydrophobicContact CG2-CG 4.17Å; V962-L1020 HydrophobicContact CB-CD2 4.22Å; V962-L1020 HydrophobicContact CG1-CD1 3.84Å; V962-L1020 HydrophobicContact CG1-CD2 3.89Å; V962-L1020 HydrophobicContact CG2-CD1 4.25Å; V962-L1020 HydrophobicContact CG2-CD2 3.89Å; V962-E1076 CarbonylContact C-O 2.89Å; V962-E1076 CarbonylContact O-C 3.42Å; V962-E1076 WeakPolarHBondContact O-CA 3.49Å; V962-E1076 WeakPolarHBondContact O-CB 3.47Å; V962-E1076 VanDerWaalsContact O-O 3.08Å; V962-L1077 CarbonylContact C-O 3.58Å; V962-L1077 VanDerWaalsContact CA-O 3.24Å; V962-L1077 WeakPolarHBondContact CA-O 3.41Å; V962-L1077 HydrophobicContact CB-CB 4.47Å; V962-L1077 HydrophobicContact CG1-CB 4.4Å; V962-L1077 HydrophobicContact CG2-CB 4.19Å; V962-L1077 HydrophobicContact CG2-CD1 4.15Å; V962-L1077 PolarHBondContact O-N 3.49Å; V962-R1078 PolarHBondContact O-N 2.98Å; V962-I1079 HydrophobicContact CG1-CD1 3.38Å; V962-I1079 HydrophobicContact CG1-CG1 3.97Å; V962-L1133 CarbonylContact C-O 3.5Å; V962-L1133 VanDerWaalsContact CA-O 3.22Å; V962-L1133 WeakPolarHBondContact CA-O 3.3Å; V962-L1133 HydrophobicContact CB-CD2 4.37Å; V962-L1133 HydrophobicContact CG1-CD1 3.31Å; V962-L1133 HydrophobicContact CG1-CD2 3.49Å; V962-L1133 VanDerWaalsContact CG1-CD2 3.49Å; V962-L1133 HydrophobicContact CG1-CG 3.89Å; V962-A1135 HydrophobicContact CG1-CB 3.49Å; V962-A1135 VanDerWaalsContact CG1-CB 3.49Å |
| 963 | T | 58 | Low | 49.8 | Very low | 19.5 Ų | 19.5 | 55.9 Ų | 55.9 | 12% | 0.12 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 108.9 | 0 | 71.2 | 0 | 0 | 0 | 0 | 113 | T961 Q965 D985 I986 V1001 T1002 Q1074 L1075 E1076 L1077 R1078 I1079 E1132 L1133 S1134 A1135 | T961-T963 HydrophobicContact CG2-CG2 4.31Å; T963-Q965 VanDerWaalsContact C-N 3.3Å; T963-Q965 PolarHBondContact O-N 3.13Å; T963-Q965 WeakPolarHBondContact OG1-CA 3.48Å; T963-Q965 PolarHBondContact OG1-N 2.92Å; T963-D985 VanDerWaalsContact CB-CG 3.49Å; T963-D985 HydrophobicContact CG2-CB 3.63Å; T963-D985 WeakPolarHBondContact CG2-O 3.44Å; T963-D985 WeakPolarHBondContact O-CB 2.88Å; T963-D985 WeakPolarHBondContact OG1-CB 3.32Å; T963-D985 PolarHBondContact OG1-OD1 3.13Å; T963-D985 VanDerWaalsContact OG1-OD1 3.05Å; T963-D985 PolarHBondContact OG1-OD2 3.14Å; T963-D985 VanDerWaalsContact OG1-OD2 3.05Å; T963-I986 CarbonylContact C-O 3.48Å; T963-I986 WeakPolarHBondContact CA-O 3.09Å; T963-I986 HydrophobicContact CG2-CB 4.04Å; T963-I986 HydrophobicContact CG2-CG1 3.44Å; T963-I986 VanDerWaalsContact CG2-CG1 3.44Å; T963-I986 PolarHBondContact N-O 2.89Å; T963-V1001 CarbonylContact C-O 3.47Å; T963-V1001 VanDerWaalsContact CA-O 3.22Å; T963-V1001 WeakPolarHBondContact CA-O 3.43Å; T963-T1002 HydrophobicContact CG2-CG2 3.76Å; T963-T1002 VanDerWaalsContact CG2-CG2 3.42Å; T963-Q1074 CarbonylContact C-O 3.6Å; T963-Q1074 VanDerWaalsContact C-O 3.28Å; T963-Q1074 CarbonylContact O-C 2.81Å; T963-Q1074 VanDerWaalsContact O-C 3.3Å; T963-L1075 CarbonylContact O-C 3.37Å; T963-L1075 WeakPolarHBondContact O-CA 3.38Å; T963-L1075 PolarHBondContact O-N 3.02Å; T963-E1076 HydrophobicContact CG2-CG 4.17Å; T963-E1076 PolarHBondContact O-N 3.31Å; T963-L1077 PolarHBondContact N-O 2.95Å; T963-L1077 PolarHBondContact OG1-O 2.97Å; T963-R1078 CarbonylContact O-C 3.6Å; T963-R1078 WeakPolarHBondContact O-CA 3.43Å; T963-R1078 VanDerWaalsContact OG1-CA 3.29Å; T963-R1078 WeakPolarHBondContact OG1-CA 3.44Å; T963-R1078 WeakPolarHBondContact OG1-CG 3.2Å; T963-I1079 PolarHBondContact O-N 3Å; T963-E1132 HydrophobicContact CG2-CG 4.41Å; T963-E1132 VanDerWaalsContact CG2-OE1 3.25Å; T963-E1132 WeakPolarHBondContact CG2-OE1 3.32Å; T963-L1133 PolarHBondContact N-O 3.05Å; T963-S1134 WeakPolarHBondContact O-CA 3.38Å; T963-S1134 WeakPolarHBondContact OG1-CA 3.35Å; T963-A1135 PolarHBondContact O-N 3.42Å | |
| 964 | C | 56.1 | Low | 48.7 | Very low | 6.25 Ų | 6.25 | 55.9 Ų | 55.9 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 102.8 | 162.1 | -52.5 | 0 | 0 | 0 | 0 | 112.6 | V962 L967 I986 T1000 V1001 Q1074 L1075 I1079 E1132 L1133 A1135 | V962-C964 PolarHBondContact O-N 3.16Å; C964-L967 HydrophobicContact CB-CB 4.37Å; C964-L967 HydrophobicContact CB-CD1 3.8Å; C964-L967 HydrophobicContact CB-CD2 4.45Å; C964-I986 HydrophobicContact CB-CB 4.25Å; C964-I986 HydrophobicContact CB-CD1 3.65Å; C964-I986 HydrophobicContact CB-CG1 4Å; C964-T1000 CarbonylContact O-C 3.53Å; C964-T1000 WeakPolarHBondContact O-CA 3.47Å; C964-T1000 WeakPolarHBondContact O-CB 3.41Å; C964-V1001 HydrophobicContact CB-CB 4.28Å; C964-V1001 HydrophobicContact CB-CG1 4.38Å; C964-V1001 WeakPolarHBondContact CB-O 3.36Å; C964-V1001 PolarHBondContact N-O 3.36Å; C964-V1001 PolarHBondContact O-N 2.98Å; C964-V1001 VanDerWaalsContact O-N 3.11Å; C964-V1001 VanDerWaalsContact SG-CG1 3.59Å; C964-Q1074 CarbonylContact C-O 3.3Å; C964-Q1074 WeakPolarHBondContact CA-O 3.36Å; C964-Q1074 PolarHBondContact N-O 3.39Å; C964-Q1074 VanDerWaalsContact N-O 3.09Å; C964-L1075 HydrophobicContact CB-CG 4.39Å; C964-L1075 WeakPolarHBondContact SG-CD2 3.48Å; C964-I1079 CarbonylContact C-O 3.49Å; C964-I1079 HydrophobicContact CB-CB 4.42Å; C964-E1132 WeakPolarHBondContact CB-O 3.28Å; C964-E1132 PolarHBondContact SG-O 3.28Å; C964-L1133 HydrophobicContact CB-CG 4.39Å; C964-A1135 WeakPolarHBondContact CA-O 3.41Å |
| 965 | Q | 52.6 | Low | 47.6 | Very low | 81.75 Ų | 81.75 | 55.9 Ų | 55.9 | 38% | 0.382 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.9 | 177 | -78.6 | -171.6 | -4.7 | 0 | 0 | 109.8 | T963 D984 D985 T1000 M1072 Y1073 Q1074 R1078 I1079 I1080 N1081 S1134 A1135 | T963-Q965 VanDerWaalsContact C-N 3.3Å; T963-Q965 PolarHBondContact O-N 3.13Å; T963-Q965 WeakPolarHBondContact OG1-CA 3.48Å; T963-Q965 PolarHBondContact OG1-N 2.92Å; Q965-D984 PolarHBondContact NE2-OD1 3.35Å; Q965-D985 WeakPolarHBondContact CB-OD2 3.21Å; Q965-D985 WeakPolarHBondContact CG-OD2 3.08Å; Q965-D985 VanDerWaalsContact NE2-CG 3.29Å; Q965-D985 PolarHBondContact NE2-OD1 2.8Å; Q965-D985 PolarHBondContact NE2-OD2 3.41Å; Q965-T1000 HydrophobicContact CB-CG2 4.31Å; Q965-T1000 HydrophobicContact CG-CG2 3.96Å; Q965-M1072 VanDerWaalsContact O-O 3.05Å; Q965-Y1073 WeakPolarHBondContact O-CA 3.48Å; Q965-Q1074 HydrophobicContact CB-CB 4.09Å; Q965-Q1074 PolarHBondContact N-O 3.33Å; Q965-Q1074 PolarHBondContact O-N 3.18Å; Q965-R1078 HydrophobicContact CG-CG 4.45Å; Q965-R1078 VanDerWaalsContact NE2-NH1 3.19Å; Q965-I1079 PolarHBondContact N-O 2.85Å; Q965-I1080 HydrophobicContact CG-CG1 4.47Å; Q965-N1081 WeakPolarHBondContact O-CB 3.43Å; Q965-N1081 PolarHBondContact O-N 3.45Å; Q965-S1134 PolarHBondContact O-OG 3.49Å; Q965-S1134 VanDerWaalsContact O-OG 3.08Å; Q965-A1135 PolarHBondContact N-O 2.9Å |
| 966 | G | 44.4 | Very low | 46.3 | Very low | 45.5 Ų | 45.5 | 61.3 Ų | 61.3 | 47% | 0.469 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 21.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | P968 K999 S1071 Y1073 N1081 | G966-P968 VanDerWaalsContact O-CD 3.25Å; G966-P968 WeakPolarHBondContact O-CD 3.42Å; G966-K999 WeakPolarHBondContact CA-O 3.39Å; G966-K999 PolarHBondContact N-O 3.29Å; G966-S1071 WeakPolarHBondContact O-CB 3.45Å; G966-S1071 PolarHBondContact O-OG 3.22Å; G966-Y1073 WeakPolarHBondContact O-CD1 3.5Å; G966-Y1073 WeakPolarHBondContact O-CE1 3.18Å; G966-N1081 WeakPolarHBondContact O-CB 3.27Å; G966-N1081 PolarHBondContact O-ND2 2.78Å |
| 967 | L | 44 | Very low | 45.1 | Very low | 26 Ų | 26 | 65.3 Ų | 65.3 | 14% | 0.136 | 37% | 0.37 | C | S | . | . | trans | -99.1 | 73.2 | 173.8 | -133.1 | 118.9 | 0 | 0 | 0 | 112.4 | C964 I969 L970 F971 K999 T1000 V1001 C1024 Y1073 V1129 L1131 E1132 | C964-L967 HydrophobicContact CB-CB 4.37Å; C964-L967 HydrophobicContact CB-CD1 3.8Å; C964-L967 HydrophobicContact CB-CD2 4.45Å; L967-I969 VanDerWaalsContact C-N 3.32Å; L967-I969 PolarHBondContact O-N 3Å; L967-L970 HydrophobicContact CD1-CD1 4.09Å; L967-L970 HydrophobicContact CD2-CB 4.04Å; L967-L970 HydrophobicContact CD2-CD1 3.97Å; L967-L970 HydrophobicContact CD2-CG 3.66Å; L967-L970 HydrophobicContact CG-CB 4.34Å; L967-L970 HydrophobicContact CG-CD1 4.02Å; L967-L970 PolarHBondContact O-N 3.23Å; L967-F971 HydrophobicContact CD2-CD2 4.4Å; L967-K999 CarbonylContact C-O 3.38Å; L967-K999 PolarHBondContact N-O 3.2Å; L967-K999 CarbonylContact O-C 3.53Å; L967-T1000 CarbonylContact O-C 3.57Å; L967-T1000 WeakPolarHBondContact O-CA 3.49Å; L967-T1000 PolarHBondContact O-N 2.89Å; L967-V1001 HydrophobicContact CB-CG2 4.19Å; L967-V1001 HydrophobicContact CD2-CB 4.4Å; L967-V1001 HydrophobicContact CD2-CG2 3.77Å; L967-V1001 HydrophobicContact CG-CG2 4.29Å; L967-V1001 VanDerWaalsContact O-CG2 3.29Å; L967-V1001 WeakPolarHBondContact O-CG2 3.49Å; L967-C1024 HydrophobicContact CD1-CB 4.22Å; L967-Y1073 HydrophobicContact CB-CD1 4.27Å; L967-Y1073 HydrophobicContact CB-CE1 4.43Å; L967-Y1073 HydrophobicContact CD1-CD1 3.66Å; L967-Y1073 HydrophobicContact CD1-CE1 4.08Å; L967-Y1073 HydrophobicContact CD1-CG 4.31Å; L967-Y1073 HydrophobicContact CG-CD1 4.03Å; L967-Y1073 HydrophobicContact CG-CE1 4.05Å; L967-V1129 HydrophobicContact CD1-CG1 4.29Å; L967-V1129 HydrophobicContact CD2-CG1 4.31Å; L967-V1129 HydrophobicContact CG-CG1 4.32Å; L967-L1131 HydrophobicContact CD1-CD1 4.16Å; L967-L1131 HydrophobicContact CD1-CD2 3.6Å; L967-L1131 HydrophobicContact CD1-CG 4.33Å; L967-E1132 HydrophobicContact CD1-CB 3.66Å; L967-E1132 HydrophobicContact CD1-CG 4.38Å | ||
| 968 | P | 38.9 | Very low | 43.7 | Very low | 51.5 Ų | 51.5 | 68.8 Ų | 68.8 | 33% | 0.334 | 38% | 0.382 | S | S | . | . | trans | -71.7 | 22.6 | -177.6 | 6 | -0.7 | 0 | 0 | 0 | 113.5 | G966 L970 F971 P972 T973 G998 K999 Y1028 | G966-P968 VanDerWaalsContact O-CD 3.25Å; G966-P968 WeakPolarHBondContact O-CD 3.42Å; P968-L970 VanDerWaalsContact C-N 3.25Å; P968-L970 HydrophobicContact CB-CD1 4.37Å; P968-L970 PolarHBondContact O-N 3.25Å; P968-L970 VanDerWaalsContact O-N 3.14Å; P968-F971 CarbonylContact C-O 3.57Å; P968-F971 WeakPolarHBondContact CA-O 3.47Å; P968-F971 CarbonylContact O-C 3.36Å; P968-F971 PolarHBondContact O-N 2.76Å; P968-F971 VanDerWaalsContact O-N 3.08Å; P968-F971 VanDerWaalsContact O-O 3.09Å; P968-P972 WeakPolarHBondContact O-CA 3.34Å; P968-T973 PolarHBondContact O-N 3.02Å; P968-G998 WeakPolarHBondContact CB-O 3.13Å; P968-K999 HydrophobicContact CG-CB 4.17Å; P968-K999 HydrophobicContact CG-CG 4.1Å; P968-Y1028 HydrophobicContact CG-CE2 4.42Å | ||
| 969 | I | 38.3 | Very low | 42.3 | Very low | 82.25 Ų | 82.25 | 73.7 Ų | 73.7 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -97.5 | 6.4 | -169.9 | -53 | 178.4 | 0 | 0 | 0 | 111.1 | L967 F971 L995 G998 I1068 T1069 S1071 | L967-I969 VanDerWaalsContact C-N 3.32Å; L967-I969 PolarHBondContact O-N 3Å; I969-F971 VanDerWaalsContact C-N 3.3Å; I969-F971 PolarHBondContact N-O 2.95Å; I969-F971 PolarHBondContact O-N 3.36Å; I969-L995 HydrophobicContact CD1-CD2 3.94Å; I969-L995 HydrophobicContact CG1-CD2 4.17Å; I969-L995 HydrophobicContact CG2-CD2 4.26Å; I969-L995 VanDerWaalsContact O-CD2 3.32Å; I969-L995 WeakPolarHBondContact O-CD2 3.47Å; I969-G998 WeakPolarHBondContact CD1-O 3.32Å; I969-I1068 HydrophobicContact CD1-CB 3.88Å; I969-I1068 HydrophobicContact CD1-CG2 3.92Å; I969-I1068 HydrophobicContact CG1-CB 4Å; I969-I1068 HydrophobicContact CG1-CD1 4.23Å; I969-I1068 HydrophobicContact CG1-CG2 4.47Å; I969-I1068 HydrophobicContact CG2-CB 4.08Å; I969-I1068 WeakPolarHBondContact CG2-O 3.48Å; I969-T1069 WeakPolarHBondContact CD1-O 3.35Å; I969-S1071 WeakPolarHBondContact CD1-OG 3.44Å |
| 970 | L | 36.4 | Very low | 40.8 | Very low | 37.75 Ų | 37.75 | 75 Ų | 75 | 20% | 0.198 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 1 | 174.5 | -65.4 | 170.7 | 0 | 0 | 0 | 114.8 | L967 P968 I993 Y994 L995 V1001 G1027 Y1028 Y1073 L1131 | L967-L970 HydrophobicContact CD1-CD1 4.09Å; L967-L970 HydrophobicContact CD2-CB 4.04Å; L967-L970 HydrophobicContact CD2-CD1 3.97Å; L967-L970 HydrophobicContact CD2-CG 3.66Å; L967-L970 HydrophobicContact CG-CB 4.34Å; L967-L970 HydrophobicContact CG-CD1 4.02Å; L967-L970 PolarHBondContact O-N 3.23Å; P968-L970 VanDerWaalsContact C-N 3.25Å; P968-L970 HydrophobicContact CB-CD1 4.37Å; P968-L970 PolarHBondContact O-N 3.25Å; P968-L970 VanDerWaalsContact O-N 3.14Å; L970-I993 HydrophobicContact CB-CD1 3.58Å; L970-I993 HydrophobicContact CB-CG2 4.24Å; L970-I993 HydrophobicContact CD1-CD1 3.97Å; L970-I993 HydrophobicContact CD2-CD1 4.22Å; L970-I993 HydrophobicContact CG-CD1 4.13Å; L970-I993 WeakPolarHBondContact O-CG2 3.28Å; L970-Y994 PolarHBondContact O-N 3.42Å; L970-L995 PolarHBondContact O-N 3.38Å; L970-V1001 HydrophobicContact CB-CB 4.09Å; L970-V1001 HydrophobicContact CB-CG1 3.84Å; L970-V1001 HydrophobicContact CB-CG2 3.37Å; L970-V1001 HydrophobicContact CD1-CG1 3.89Å; L970-V1001 HydrophobicContact CD1-CG2 3.88Å; L970-V1001 HydrophobicContact CG-CG1 4.38Å; L970-V1001 HydrophobicContact CG-CG2 3.72Å; L970-G1027 VanDerWaalsContact CB-O 3.28Å; L970-G1027 WeakPolarHBondContact CB-O 3.26Å; L970-G1027 WeakPolarHBondContact CD1-O 3.42Å; L970-Y1028 HydrophobicContact CD2-CD1 4.24Å; L970-Y1028 HydrophobicContact CD2-CD2 3.79Å; L970-Y1028 HydrophobicContact CD2-CE1 3.88Å; L970-Y1028 HydrophobicContact CD2-CE2 3.68Å; L970-Y1028 HydrophobicContact CD2-CG 4.2Å; L970-Y1073 HydrophobicContact CD1-CE1 4.29Å; L970-L1131 HydrophobicContact CD1-CD1 3.93Å |
| 971 | F | 34.3 | Very low | 39 | Very low | 78.5 Ų | 78.5 | 81.9 Ų | 81.9 | 34% | 0.344 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -121.7 | 82.9 | 167.1 | -77.7 | -82.3 | 0 | 0 | 0 | 113.4 | L967 P968 I969 T973 I993 Y994 V1001 T1002 F1023 | L967-F971 HydrophobicContact CD2-CD2 4.4Å; P968-F971 CarbonylContact C-O 3.57Å; P968-F971 WeakPolarHBondContact CA-O 3.47Å; P968-F971 CarbonylContact O-C 3.36Å; P968-F971 PolarHBondContact O-N 2.76Å; P968-F971 VanDerWaalsContact O-N 3.08Å; P968-F971 VanDerWaalsContact O-O 3.09Å; I969-F971 VanDerWaalsContact C-N 3.3Å; I969-F971 PolarHBondContact N-O 2.95Å; I969-F971 PolarHBondContact O-N 3.36Å; F971-T973 PolarHBondContact O-N 2.95Å; F971-T973 VanDerWaalsContact O-N 3.13Å; F971-I993 HydrophobicContact CZ-CD1 4.22Å; F971-Y994 WeakPolarHBondContact O-CB 3.39Å; F971-V1001 HydrophobicContact CD2-CG2 3.65Å; F971-V1001 HydrophobicContact CE2-CB 4.25Å; F971-V1001 HydrophobicContact CE2-CG1 4.13Å; F971-V1001 HydrophobicContact CE2-CG2 3.86Å; F971-V1001 HydrophobicContact CG-CG2 4.26Å; F971-V1001 HydrophobicContact CZ-CG1 4.17Å; F971-T1002 WeakPolarHBondContact CB-OG1 3.48Å; F971-T1002 WeakPolarHBondContact CD2-O 3.16Å; F971-T1002 WeakPolarHBondContact CD2-OG1 2.95Å; F971-T1002 VanDerWaalsContact CE2-O 3.25Å; F971-T1002 WeakPolarHBondContact CE2-O 2.89Å; F971-T1002 WeakPolarHBondContact CG-OG1 3.37Å; F971-F1023 HydrophobicContact CE2-CE1 4.39Å; F971-F1023 HydrophobicContact CE2-CZ 4.14Å; F971-F1023 HydrophobicContact CZ-CE1 4.17Å; F971-F1023 HydrophobicContact CZ-CE2 4.35Å; F971-F1023 AromaticContact CZ-CZ 3.67Å; F971-F1023 HydrophobicContact CZ-CZ 3.67Å |
| 972 | P | 30.6 | Very low | 37.5 | Very low | 75 Ų | 75 | 85.3 Ų | 85.3 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | trans | -71.1 | 119.7 | -151.4 | 22.2 | -26.7 | 0 | 0 | 0 | 109.9 | P968 N974 Y994 L995 S996 T1000 I1068 | P968-P972 WeakPolarHBondContact O-CA 3.34Å; P972-N974 PolarHBondContact O-N 3.39Å; P972-Y994 WeakPolarHBondContact CD-O 3.38Å; P972-L995 CarbonylContact C-O 3.53Å; P972-L995 VanDerWaalsContact C-O 3.25Å; P972-L995 WeakPolarHBondContact CA-O 3.43Å; P972-L995 HydrophobicContact CB-CB 2.85Å; P972-L995 HydrophobicContact CB-CG 4.29Å; P972-L995 WeakPolarHBondContact CB-O 3.22Å; P972-L995 WeakPolarHBondContact CD-O 3.34Å; P972-L995 HydrophobicContact CG-CB 2.74Å; P972-L995 HydrophobicContact CG-CD1 3.47Å; P972-L995 VanDerWaalsContact CG-CD1 3.47Å; P972-L995 HydrophobicContact CG-CG 3.6Å; P972-L995 WeakPolarHBondContact CG-O 3.39Å; P972-S996 VanDerWaalsContact C-N 3.33Å; P972-S996 VanDerWaalsContact CG-N 3.33Å; P972-T1000 VanDerWaalsContact O-O 3.05Å; P972-I1068 VanDerWaalsContact CA-CD1 3.49Å; P972-I1068 HydrophobicContact CB-CD1 3.31Å | ||
| 973 | T | 31.3 | Very low | 35.8 | Very low | 88.5 Ų | 88.5 | 87.7 Ų | 87.7 | 54% | 0.543 | 51% | 0.514 | S | S | . | . | trans | -124.2 | 92.9 | 153.2 | 41.9 | 0 | 0 | 0 | 0 | 114.9 | P968 F971 C975 L995 D997 K999 T1000 I1068 | P968-T973 PolarHBondContact O-N 3.02Å; F971-T973 PolarHBondContact O-N 2.95Å; F971-T973 VanDerWaalsContact O-N 3.13Å; T973-C975 PolarHBondContact O-N 2.92Å; T973-L995 PolarHBondContact N-O 2.98Å; T973-D997 VanDerWaalsContact C-N 3.32Å; T973-D997 WeakPolarHBondContact CB-O 3.46Å; T973-D997 WeakPolarHBondContact O-CA 3.32Å; T973-D997 PolarHBondContact O-N 3.26Å; T973-D997 PolarHBondContact OG1-O 3.37Å; T973-K999 PolarHBondContact OG1-N 3.46Å; T973-T1000 WeakPolarHBondContact CG2-OG1 3.04Å; T973-I1068 HydrophobicContact CG2-CD1 4.28Å | ||
| 974 | N | 27.6 | Very low | 34.5 | Very low | 134.75 Ų | 134.75 | 91.9 Ų | 91.9 | 72% | 0.721 | 54% | 0.536 | S | S | * | . | trans | -4.9 | 106.1 | 157.8 | -161.3 | 17.1 | 0 | 0 | 0 | 117.3 | P972 N976 S996 | P972-N974 PolarHBondContact O-N 3.39Å; N974-N976 PolarHBondContact O-N 2.81Å; N974-S996 VanDerWaalsContact O-CB 3.24Å; N974-S996 WeakPolarHBondContact O-CB 3.14Å | ||
| 975 | C | 27.7 | Very low | 33.3 | Very low | 89.5 Ų | 89.5 | 95.8 Ų | 95.8 | 61% | 0.605 | 56% | 0.556 | S | S | * | * | trans | -16.8 | 94.5 | 166.1 | -5.9 | 0 | 0 | 0 | 0 | 116.2 | T973 N977 K999 | T973-C975 PolarHBondContact O-N 2.92Å; C975-N977 PolarHBondContact O-N 3.04Å; C975-K999 WeakPolarHBondContact O-CE 3.34Å; C975-K999 PolarHBondContact O-NZ 3.36Å | ||
| 976 | N | 27.4 | Very low | 32.4 | Very low | 140 Ų | 140 | 96.4 Ų | 96.4 | 75% | 0.749 | 56% | 0.561 | S | S | * | * | trans | -130.2 | 103.9 | 178.9 | -101.7 | -2.3 | 0 | 0 | 0 | 113.7 | N974 | N974-N976 PolarHBondContact O-N 2.81Š| ||
| 977 | N | 28.9 | Very low | 31.8 | Very low | 142.25 Ų | 142.25 | 98.9 Ų | 98.9 | 76% | 0.761 | 56% | 0.563 | S | S | * | * | trans | 147.1 | 97.8 | 164.5 | -86.3 | -18.5 | 0 | 0 | 0 | 113.6 | C975 N979 | C975-N977 PolarHBondContact O-N 3.04Å; N977-N979 VanDerWaalsContact C-N 3.33Å; N977-N979 PolarHBondContact O-N 3.11Å | ||
| 978 | N | 28.6 | Very low | 31.4 | Very low | 146 Ų | 146 | 101.3 Ų | 101.3 | 78% | 0.781 | 58% | 0.576 | S | S | * | * | trans | -4.3 | 93.9 | 157.9 | -58.8 | -22.8 | 0 | 0 | 0 | 115.6 | ||||
| 979 | N | 29.9 | Very low | 31.3 | Very low | 149.5 Ų | 149.5 | 104.1 Ų | 104.1 | 80% | 0.799 | 59% | 0.588 | S | S | * | * | trans | 156.6 | 100.8 | 153.9 | -78.8 | -30.5 | 0 | 0 | 0 | 114.3 | N977 | N977-N979 VanDerWaalsContact C-N 3.33Å; N977-N979 PolarHBondContact O-N 3.11Å | ||
| 980 | I | 29.9 | Very low | 31.4 | Very low | 142.25 Ų | 142.25 | 104.4 Ų | 104.4 | 73% | 0.729 | 59% | 0.59 | S | S | * | * | trans | 144.8 | 112.4 | 156.1 | -62.3 | 148.8 | 0 | 0 | 0 | 111.9 | D984 | I980-D984 WeakPolarHBondContact CG2-OD1 3.47Š| ||
| 981 | N | 26.9 | Very low | 31.7 | Very low | 154.5 Ų | 154.5 | 105.6 Ų | 105.6 | 83% | 0.826 | 59% | 0.594 | S | S | * | * | trans | -8.9 | 133.4 | 143.1 | -65.7 | -16.6 | 0 | 0 | 0 | 114.6 | G983 | N981-G983 VanDerWaalsContact C-N 3.32Å; N981-G983 PolarHBondContact O-N 3.34Å; N981-G983 VanDerWaalsContact O-N 3.1Å | ||
| 982 | A | 31 | Very low | 32 | Very low | 96.75 Ų | 96.75 | 105.7 Ų | 105.7 | 80% | 0.8 | 60% | 0.596 | S | S | * | * | trans | -69.6 | 92.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1138 | A982-M1138 HydrophobicContact CB-CE 4.19Å; A982-M1138 HydrophobicContact CB-SD 3.6Å; A982-M1138 WeakPolarHBondContact O-CE 3.35Å | ||
| 983 | G | 29.5 | Very low | 32.6 | Very low | 53.25 Ų | 53.25 | 104.6 Ų | 104.6 | 55% | 0.549 | 59% | 0.585 | S | S | . | * | trans | -170.9 | 27.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N981 D985 K1136 | N981-G983 VanDerWaalsContact C-N 3.32Å; N981-G983 PolarHBondContact O-N 3.34Å; N981-G983 VanDerWaalsContact O-N 3.1Å; G983-D985 PolarHBondContact O-N 3.28Å; G983-D985 VanDerWaalsContact O-N 3.16Å; G983-K1136 WeakPolarHBondContact O-CE 3.41Å; G983-K1136 PolarHBondContact O-NZ 3.11Å | ||
| 984 | D | 30.3 | Very low | 33 | Very low | 107.5 Ų | 107.5 | 105.5 Ų | 105.5 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | trans | -163.2 | 0 | 147.8 | -68.5 | -7.7 | 0 | 0 | 0 | 113 | Q965 I980 I986 E1076 R1078 K1136 | Q965-D984 PolarHBondContact NE2-OD1 3.35Å; I980-D984 WeakPolarHBondContact CG2-OD1 3.47Å; D984-I986 PolarHBondContact O-N 3.05Å; D984-E1076 VanDerWaalsContact C-OE2 3.27Å; D984-E1076 HydrophobicContact CB-CB 3.75Å; D984-E1076 HydrophobicContact CB-CG 3.42Å; D984-E1076 VanDerWaalsContact CB-CG 3.42Å; D984-E1076 VanDerWaalsContact CB-OE1 3.28Å; D984-E1076 WeakPolarHBondContact CB-OE1 3.12Å; D984-R1078 PolarHBondContact O-NE 3.47Å; D984-R1078 PolarHBondContact O-NH2 3.42Å; D984-K1136 IonicContact OD1-NZ 3.69Å; D984-K1136 PolarHBondContact OD1-NZ 2.99Å; D984-K1136 IonicContact OD2-NZ 3.15Å; D984-K1136 PolarHBondContact OD2-NZ 2.95Å | ||
| 985 | D | 30.6 | Very low | 33.6 | Very low | 88 Ų | 88 | 103.9 Ų | 103.9 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | 0 | 0 | 0 | -76.8 | -12.7 | 0 | 0 | 0 | 116.3 | V962 T963 Q965 G983 I987 Y994 T1002 E1076 | V962-D985 VanDerWaalsContact CA-C 3.44Å; V962-D985 WeakPolarHBondContact CG1-O 3.35Å; V962-D985 WeakPolarHBondContact O-CA 3.47Å; T963-D985 VanDerWaalsContact CB-CG 3.49Å; T963-D985 HydrophobicContact CG2-CB 3.63Å; T963-D985 WeakPolarHBondContact CG2-O 3.44Å; T963-D985 WeakPolarHBondContact O-CB 2.88Å; T963-D985 WeakPolarHBondContact OG1-CB 3.32Å; T963-D985 PolarHBondContact OG1-OD1 3.13Å; T963-D985 VanDerWaalsContact OG1-OD1 3.05Å; T963-D985 PolarHBondContact OG1-OD2 3.14Å; T963-D985 VanDerWaalsContact OG1-OD2 3.05Å; Q965-D985 WeakPolarHBondContact CB-OD2 3.21Å; Q965-D985 WeakPolarHBondContact CG-OD2 3.08Å; Q965-D985 VanDerWaalsContact NE2-CG 3.29Å; Q965-D985 PolarHBondContact NE2-OD1 2.8Å; Q965-D985 PolarHBondContact NE2-OD2 3.41Å; G983-D985 PolarHBondContact O-N 3.28Å; G983-D985 VanDerWaalsContact O-N 3.16Å; D985-I987 VanDerWaalsContact C-N 3.31Å; D985-I987 HydrophobicContact CB-CD1 4.49Å; D985-I987 HydrophobicContact CB-CG1 4.06Å; D985-I987 WeakPolarHBondContact O-CG1 3.23Å; D985-I987 PolarHBondContact O-N 3.32Å; D985-Y994 VanDerWaalsContact CG-CE1 3.45Å; D985-Y994 WeakPolarHBondContact OD1-CE1 3.41Å; D985-Y994 VanDerWaalsContact OD2-CE1 3.22Å; D985-Y994 WeakPolarHBondContact OD2-CE1 3.11Å; D985-Y994 PolarHBondContact OD2-OH 3.18Å; D985-T1002 WeakPolarHBondContact O-CA 3.24Å; D985-T1002 WeakPolarHBondContact O-CB 3.42Å; D985-T1002 WeakPolarHBondContact O-CG2 3.06Å; D985-E1076 HydrophobicContact CB-CB 3.72Å; D985-E1076 PolarHBondContact N-OE2 3.19Å | |||
| 986 | I | 34.1 | Very low | 34.2 | Very low | 95.25 Ų | 95.25 | 102.4 Ų | 102.4 | 49% | 0.488 | 56% | 0.56 | S | S | . | * | 0 | 104 | 0 | -48.5 | -178.5 | 0 | 0 | 0 | 114.4 | V962 T963 C964 D984 D988 V1001 I1003 L1075 | V962-I986 CarbonylContact C-O 3.59Å; T963-I986 CarbonylContact C-O 3.48Å; T963-I986 WeakPolarHBondContact CA-O 3.09Å; T963-I986 HydrophobicContact CG2-CB 4.04Å; T963-I986 HydrophobicContact CG2-CG1 3.44Å; T963-I986 VanDerWaalsContact CG2-CG1 3.44Å; T963-I986 PolarHBondContact N-O 2.89Å; C964-I986 HydrophobicContact CB-CB 4.25Å; C964-I986 HydrophobicContact CB-CD1 3.65Å; C964-I986 HydrophobicContact CB-CG1 4Å; D984-I986 PolarHBondContact O-N 3.05Å; I986-D988 PolarHBondContact O-N 3.09Å; I986-V1001 HydrophobicContact CD1-CB 3.82Å; I986-V1001 HydrophobicContact CD1-CG1 3.98Å; I986-V1001 WeakPolarHBondContact CD1-O 3.36Å; I986-V1001 HydrophobicContact CG1-CB 4.48Å; I986-V1001 WeakPolarHBondContact CG1-O 3.48Å; I986-I1003 HydrophobicContact CB-CD1 4.35Å; I986-I1003 HydrophobicContact CB-CG1 4.01Å; I986-I1003 HydrophobicContact CD1-CD1 3.95Å; I986-I1003 HydrophobicContact CD1-CG1 3.94Å; I986-I1003 HydrophobicContact CG1-CD1 4.27Å; I986-I1003 HydrophobicContact CG1-CG1 3.79Å; I986-I1003 HydrophobicContact CG2-CB 3.92Å; I986-I1003 HydrophobicContact CG2-CD1 3.29Å; I986-I1003 HydrophobicContact CG2-CG1 3.39Å; I986-L1075 WeakPolarHBondContact O-CD2 3.43Å | |||
| 987 | I | 31.7 | Very low | 35.1 | Very low | 98.25 Ų | 98.25 | 102.4 Ų | 102.4 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | trans | -109.4 | 114.5 | 167.6 | -18.6 | 155.7 | 0 | 0 | 0 | 109.9 | L960 T961 V962 D985 Q992 L1005 L1075 E1076 L1077 F1108 W1111 L1133 | L960-I987 HydrophobicContact CB-CD1 4.5Å; L960-I987 HydrophobicContact CD1-CD1 4.05Å; L960-I987 HydrophobicContact CD2-CD1 3.92Å; L960-I987 HydrophobicContact CG-CD1 3.49Å; L960-I987 VanDerWaalsContact CG-CD1 3.49Å; T961-I987 VanDerWaalsContact O-CD1 3.3Å; T961-I987 WeakPolarHBondContact O-CD1 3.44Å; V962-I987 VanDerWaalsContact CA-N 3.31Å; V962-I987 HydrophobicContact CG2-CD1 4.42Å; V962-I987 VanDerWaalsContact CG2-N 3.32Å; D985-I987 VanDerWaalsContact C-N 3.31Å; D985-I987 HydrophobicContact CB-CD1 4.49Å; D985-I987 HydrophobicContact CB-CG1 4.06Å; D985-I987 WeakPolarHBondContact O-CG1 3.23Å; D985-I987 PolarHBondContact O-N 3.32Å; I987-Q992 HydrophobicContact CG1-CG 4.4Å; I987-L1005 WeakPolarHBondContact O-CB 2.92Å; I987-L1005 WeakPolarHBondContact O-CD1 3.33Å; I987-L1005 WeakPolarHBondContact O-CD2 3.41Å; I987-L1005 WeakPolarHBondContact O-CG 3.37Å; I987-L1075 HydrophobicContact CG2-CD2 3.31Å; I987-E1076 WeakPolarHBondContact CG1-O 3.21Å; I987-E1076 WeakPolarHBondContact CG2-O 3.45Å; I987-L1077 HydrophobicContact CG1-CB 4.44Å; I987-L1077 HydrophobicContact CG1-CG 4.02Å; I987-F1108 HydrophobicContact CB-CE1 4.47Å; I987-F1108 HydrophobicContact CG2-CE1 4.21Å; I987-W1111 HydrophobicContact CG2-CZ3 4.03Å; I987-L1133 HydrophobicContact CG2-CD2 3.62Å | ||
| 988 | D | 36 | Very low | 36 | Very low | 77 Ų | 77 | 97.9 Ų | 97.9 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | trans | -105 | 127.1 | 176.4 | -152.3 | -11.1 | 0 | 0 | 0 | 113.3 | I986 N990 K991 L1005 L1016 L1020 F1023 | I986-D988 PolarHBondContact O-N 3.09Å; D988-N990 PolarHBondContact O-N 3.02Å; D988-K991 PolarHBondContact N-O 3.12Å; D988-K991 WeakPolarHBondContact O-CB 3.38Å; D988-K991 PolarHBondContact O-N 3.28Å; D988-K991 VanDerWaalsContact O-N 3.13Å; D988-K991 IonicContact OD1-NZ 2.75Å; D988-K991 PolarHBondContact OD1-NZ 2.81Å; D988-K991 WeakPolarHBondContact OD2-CD 3.32Å; D988-K991 VanDerWaalsContact OD2-CE 3.31Å; D988-K991 WeakPolarHBondContact OD2-CE 3.15Å; D988-K991 IonicContact OD2-NZ 3.55Å; D988-K991 PolarHBondContact OD2-NZ 2.92Å; D988-L1005 HydrophobicContact CB-CD2 3.55Å; D988-L1016 WeakPolarHBondContact O-CD1 2.81Å; D988-L1020 HydrophobicContact CB-CD1 4.38Å; D988-L1020 HydrophobicContact CB-CD2 3.84Å; D988-L1020 HydrophobicContact CB-CG 3.75Å; D988-F1023 WeakPolarHBondContact OD2-CD1 3.39Å; D988-F1023 WeakPolarHBondContact OD2-CD2 3.35Å; D988-F1023 VanDerWaalsContact OD2-CG 3.29Å; D988-F1023 WeakPolarHBondContact OD2-CG 3.38Å | ||
| 989 | N | 36.7 | Very low | 36.9 | Very low | 108.75 Ų | 108.75 | 97.4 Ų | 97.4 | 58% | 0.582 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -35.9 | 107.4 | 173.9 | -81 | -34.4 | 0 | 0 | 0 | 115.3 | K991 L1005 I1006 V1007 L1016 Y1019 | N989-K991 VanDerWaalsContact C-N 3.27Å; N989-K991 WeakPolarHBondContact O-CD 3.39Å; N989-K991 WeakPolarHBondContact O-CE 2.94Å; N989-K991 WeakPolarHBondContact O-CG 3.43Å; N989-K991 PolarHBondContact O-N 3.35Å; N989-L1005 HydrophobicContact CB-CB 4.03Å; N989-L1005 VanDerWaalsContact N-CB 3.32Å; N989-I1006 VanDerWaalsContact CB-O 3.24Å; N989-I1006 WeakPolarHBondContact CB-O 3.5Å; N989-I1006 PolarHBondContact ND2-O 2.8Å; N989-V1007 HydrophobicContact CB-CG2 3.67Å; N989-L1016 HydrophobicContact CB-CD1 4.36Å; N989-Y1019 WeakPolarHBondContact OD1-CD1 3.29Å; N989-Y1019 WeakPolarHBondContact OD1-CD2 3.22Å; N989-Y1019 WeakPolarHBondContact OD1-CE1 3.5Å; N989-Y1019 WeakPolarHBondContact OD1-CE2 3.4Å; N989-Y1019 VanDerWaalsContact OD1-CG 3.26Å |
| 990 | N | 40.6 | Very low | 37.9 | Very low | 88.25 Ų | 88.25 | 91.6 Ų | 91.6 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | S | Bend | trans | 54.4 | 17.3 | -178.7 | -62.4 | -51 | 0 | 0 | 0 | 115.5 | D988 T1004 L1005 I1006 F1468 | D988-N990 PolarHBondContact O-N 3.02Å; N990-T1004 WeakPolarHBondContact CB-O 3.46Å; N990-T1004 PolarHBondContact ND2-O 3.08Å; N990-L1005 HydrophobicContact CB-CB 4.24Å; N990-L1005 HydrophobicContact CB-CG 4.18Å; N990-L1005 VanDerWaalsContact N-CB 3.25Å; N990-L1005 WeakPolarHBondContact ND2-CA 3.07Å; N990-I1006 HydrophobicContact CB-CB 4.27Å; N990-I1006 HydrophobicContact CB-CD1 3.87Å; N990-I1006 HydrophobicContact CB-CG1 4.22Å; N990-I1006 VanDerWaalsContact ND2-CG1 3.35Å; N990-I1006 WeakPolarHBondContact ND2-CG1 3.14Å; N990-I1006 PolarHBondContact ND2-N 3.34Å; N990-I1006 VanDerWaalsContact ND2-N 3.17Å; N990-I1006 WeakPolarHBondContact OD1-CD1 3.04Å; N990-I1006 WeakPolarHBondContact OD1-CG1 3.5Å; N990-F1468 HydrophobicContact CB-CE1 4.24Å; N990-F1468 HydrophobicContact CB-CE2 3.96Å; N990-F1468 HydrophobicContact CB-CZ 3.58Å; N990-F1468 WeakPolarHBondContact OD1-CE2 3.29Å |
| 991 | K | 41.2 | Very low | 39 | Very low | 63.25 Ų | 63.25 | 85 Ų | 85 | 28% | 0.275 | 48% | 0.475 | S | S | . | . | trans | -171.2 | 103.9 | 174.2 | -53.7 | -178.9 | -165.6 | 175.9 | 0 | 112.6 | D988 N989 I993 L1005 F1023 H1026 T1029 | D988-K991 PolarHBondContact N-O 3.12Å; D988-K991 WeakPolarHBondContact O-CB 3.38Å; D988-K991 PolarHBondContact O-N 3.28Å; D988-K991 VanDerWaalsContact O-N 3.13Å; D988-K991 IonicContact OD1-NZ 2.75Å; D988-K991 PolarHBondContact OD1-NZ 2.81Å; D988-K991 WeakPolarHBondContact OD2-CD 3.32Å; D988-K991 VanDerWaalsContact OD2-CE 3.31Å; D988-K991 WeakPolarHBondContact OD2-CE 3.15Å; D988-K991 IonicContact OD2-NZ 3.55Å; D988-K991 PolarHBondContact OD2-NZ 2.92Å; N989-K991 VanDerWaalsContact C-N 3.27Å; N989-K991 WeakPolarHBondContact O-CD 3.39Å; N989-K991 WeakPolarHBondContact O-CE 2.94Å; N989-K991 WeakPolarHBondContact O-CG 3.43Å; N989-K991 PolarHBondContact O-N 3.35Å; K991-I993 WeakPolarHBondContact O-CG1 3.33Å; K991-I993 PolarHBondContact O-N 3.16Å; K991-L1005 HydrophobicContact CD-CD2 4.16Å; K991-L1005 HydrophobicContact CG-CD2 4.34Å; K991-L1005 VanDerWaalsContact N-CD2 3.32Å; K991-F1023 HydrophobicContact CB-CE2 4.04Å; K991-F1023 HydrophobicContact CD-CD2 3.67Å; K991-F1023 HydrophobicContact CD-CE2 3.53Å; K991-F1023 HydrophobicContact CD-CZ 4.47Å; K991-F1023 HydrophobicContact CG-CE2 4.23Å; K991-F1023 VanDerWaalsContact NZ-CD2 3.34Å; K991-H1026 HydrophobicContact CD-CB 4.33Å; K991-H1026 WeakPolarHBondContact CD-O 3.36Å; K991-H1026 VanDerWaalsContact CE-O 3.31Å; K991-H1026 WeakPolarHBondContact CE-O 3.47Å; K991-H1026 HydrophobicContact CG-CB 4.14Å; K991-H1026 WeakPolarHBondContact CG-O 3.43Å; K991-H1026 VanDerWaalsContact NZ-CG 3.3Å; K991-H1026 PolarHBondContact NZ-ND1 2.88Å; K991-H1026 PolarHBondContact NZ-O 2.97Å; K991-T1029 HydrophobicContact CB-CG2 4.08Å; K991-T1029 WeakPolarHBondContact CB-OG1 3.34Å; K991-T1029 PolarHBondContact O-OG1 2.86Å | ||
| 992 | Q | 41 | Very low | 40.5 | Very low | 82 Ų | 82 | 78.8 Ų | 78.8 | 38% | 0.383 | 44% | 0.442 | S | S | . | . | trans | -103.6 | 118.4 | 166.8 | -73.6 | -173.9 | -23.7 | 0 | 0 | 111.4 | I987 Y994 I1003 T1004 T1029 S1031 | I987-Q992 HydrophobicContact CG1-CG 4.4Å; Q992-Y994 HydrophobicContact CB-CD2 4.43Å; Q992-Y994 HydrophobicContact CB-CE2 3.89Å; Q992-Y994 PolarHBondContact NE2-OH 2.96Å; Q992-Y994 WeakPolarHBondContact O-CD2 3.29Å; Q992-Y994 PolarHBondContact O-N 3.27Å; Q992-Y994 PolarHBondContact OE1-OH 3.39Å; Q992-I1003 HydrophobicContact CB-CG2 4.35Å; Q992-I1003 CarbonylContact O-C 3.54Å; Q992-I1003 WeakPolarHBondContact O-CA 3.42Å; Q992-I1003 WeakPolarHBondContact O-CG2 3.19Å; Q992-T1004 WeakPolarHBondContact CB-OG1 3.38Å; Q992-T1004 VanDerWaalsContact CD-OG1 3.29Å; Q992-T1004 PolarHBondContact N-O 3.23Å; Q992-T1004 PolarHBondContact O-N 3.15Å; Q992-T1004 PolarHBondContact O-OG1 3.18Å; Q992-T1004 PolarHBondContact OE1-OG1 3.4Å; Q992-T1029 WeakPolarHBondContact CA-OG1 3.38Å; Q992-T1029 PolarHBondContact N-OG1 3.3Å; Q992-S1031 VanDerWaalsContact CD-OG 3.27Å; Q992-S1031 PolarHBondContact OE1-OG 3.46Å | ||
| 993 | I | 43 | Very low | 41.9 | Very low | 50.5 Ų | 50.5 | 74.2 Ų | 74.2 | 26% | 0.259 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.7 | -174.9 | -58.2 | -165.8 | 0 | 0 | 0 | 110.1 | L970 F971 K991 L995 V1001 T1002 I1003 F1023 G1027 T1029 S1030 S1031 | L970-I993 HydrophobicContact CB-CD1 3.58Å; L970-I993 HydrophobicContact CB-CG2 4.24Å; L970-I993 HydrophobicContact CD1-CD1 3.97Å; L970-I993 HydrophobicContact CD2-CD1 4.22Å; L970-I993 HydrophobicContact CG-CD1 4.13Å; L970-I993 WeakPolarHBondContact O-CG2 3.28Å; F971-I993 HydrophobicContact CZ-CD1 4.22Å; K991-I993 WeakPolarHBondContact O-CG1 3.33Å; K991-I993 PolarHBondContact O-N 3.16Å; I993-L995 HydrophobicContact CG2-CD1 4.07Å; I993-V1001 HydrophobicContact CG2-CG1 3.67Å; I993-V1001 WeakPolarHBondContact CG2-O 2.97Å; I993-T1002 CarbonylContact C-O 3.51Å; I993-T1002 VanDerWaalsContact CA-O 3.25Å; I993-T1002 WeakPolarHBondContact CA-O 3.46Å; I993-I1003 HydrophobicContact CB-CG1 4.25Å; I993-I1003 HydrophobicContact CD1-CD1 4.24Å; I993-I1003 HydrophobicContact CD1-CG2 3.67Å; I993-I1003 HydrophobicContact CG1-CD1 3.9Å; I993-I1003 HydrophobicContact CG1-CG1 4.06Å; I993-I1003 HydrophobicContact CG1-CG2 4.01Å; I993-I1003 HydrophobicContact CG2-CG1 4.13Å; I993-F1023 HydrophobicContact CD1-CE2 4.45Å; I993-F1023 HydrophobicContact CD1-CZ 3.96Å; I993-F1023 HydrophobicContact CG1-CZ 3.99Å; I993-G1027 WeakPolarHBondContact CD1-O 3.2Å; I993-G1027 VanDerWaalsContact CG1-C 3.47Å; I993-T1029 CarbonylContact C-O 3.05Å; I993-T1029 WeakPolarHBondContact CA-O 3.13Å; I993-T1029 WeakPolarHBondContact CB-O 3.36Å; I993-T1029 WeakPolarHBondContact CG2-O 3.33Å; I993-T1029 PolarHBondContact N-O 3.48Å; I993-T1029 VanDerWaalsContact O-O 3.09Å; I993-S1030 CarbonylContact O-C 3.38Å; I993-S1030 WeakPolarHBondContact O-CA 3.34Å; I993-S1031 PolarHBondContact O-N 3.43Å |
| 994 | Y | 40.6 | Very low | 43.3 | Very low | 108.75 Ų | 108.75 | 72.9 Ų | 72.9 | 43% | 0.426 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115 | 168.2 | -70.5 | -86.9 | 0 | 0 | 0 | 113.8 | L970 F971 P972 D985 Q992 S996 V1001 T1002 T1004 S1031 N1032 | L970-Y994 PolarHBondContact O-N 3.42Å; F971-Y994 WeakPolarHBondContact O-CB 3.39Å; P972-Y994 WeakPolarHBondContact CD-O 3.38Å; D985-Y994 VanDerWaalsContact CG-CE1 3.45Å; D985-Y994 WeakPolarHBondContact OD1-CE1 3.41Å; D985-Y994 VanDerWaalsContact OD2-CE1 3.22Å; D985-Y994 WeakPolarHBondContact OD2-CE1 3.11Å; D985-Y994 PolarHBondContact OD2-OH 3.18Å; Q992-Y994 HydrophobicContact CB-CD2 4.43Å; Q992-Y994 HydrophobicContact CB-CE2 3.89Å; Q992-Y994 PolarHBondContact NE2-OH 2.96Å; Q992-Y994 WeakPolarHBondContact O-CD2 3.29Å; Q992-Y994 PolarHBondContact O-N 3.27Å; Q992-Y994 PolarHBondContact OE1-OH 3.39Å; Y994-S996 PolarHBondContact O-N 3.1Å; Y994-V1001 CarbonylContact O-C 3.46Å; Y994-T1002 CarbonylContact C-O 3.44Å; Y994-T1002 WeakPolarHBondContact CB-OG1 3.41Å; Y994-T1002 PolarHBondContact N-O 3.35Å; Y994-T1002 VanDerWaalsContact N-O 3.16Å; Y994-T1002 CarbonylContact O-C 3.28Å; Y994-T1002 VanDerWaalsContact O-CA 3.25Å; Y994-T1002 WeakPolarHBondContact O-CA 3.3Å; Y994-T1002 WeakPolarHBondContact O-CB 3.4Å; Y994-T1002 WeakPolarHBondContact O-CG2 3.22Å; Y994-T1002 PolarHBondContact O-N 3.13Å; Y994-T1002 VanDerWaalsContact O-N 3.13Å; Y994-T1002 VanDerWaalsContact O-O 3.12Å; Y994-T1002 PolarHBondContact O-OG1 3.21Å; Y994-T1004 HydrophobicContact CE2-CG2 4.06Å; Y994-S1031 VanDerWaalsContact CD2-C 3.46Å; Y994-S1031 VanDerWaalsContact CD2-N 3.33Å; Y994-S1031 WeakPolarHBondContact CD2-O 3.25Å; Y994-N1032 HydrophobicContact CD2-CB 3.59Å; Y994-N1032 HydrophobicContact CE2-CB 3.75Å; Y994-N1032 HydrophobicContact CG-CB 4.29Å |
| 995 | L | 39.2 | Very low | 44.9 | Very low | 101 Ų | 101 | 68.1 Ų | 68.1 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 72.9 | 177.9 | -54.8 | 122.5 | 0 | 0 | 0 | 114 | I969 L970 P972 T973 I993 D997 G998 V1001 | I969-L995 HydrophobicContact CD1-CD2 3.94Å; I969-L995 HydrophobicContact CG1-CD2 4.17Å; I969-L995 HydrophobicContact CG2-CD2 4.26Å; I969-L995 VanDerWaalsContact O-CD2 3.32Å; I969-L995 WeakPolarHBondContact O-CD2 3.47Å; L970-L995 PolarHBondContact O-N 3.38Å; P972-L995 CarbonylContact C-O 3.53Å; P972-L995 VanDerWaalsContact C-O 3.25Å; P972-L995 WeakPolarHBondContact CA-O 3.43Å; P972-L995 HydrophobicContact CB-CB 2.85Å; P972-L995 HydrophobicContact CB-CG 4.29Å; P972-L995 WeakPolarHBondContact CB-O 3.22Å; P972-L995 WeakPolarHBondContact CD-O 3.34Å; P972-L995 HydrophobicContact CG-CB 2.74Å; P972-L995 HydrophobicContact CG-CD1 3.47Å; P972-L995 VanDerWaalsContact CG-CD1 3.47Å; P972-L995 HydrophobicContact CG-CG 3.6Å; P972-L995 WeakPolarHBondContact CG-O 3.39Å; T973-L995 PolarHBondContact N-O 2.98Å; I993-L995 HydrophobicContact CG2-CD1 4.07Å; L995-D997 CarbonylContact O-C 3.57Å; L995-D997 WeakPolarHBondContact O-CA 3.42Å; L995-D997 PolarHBondContact O-N 3.38Å; L995-G998 PolarHBondContact O-N 3.05Å; L995-V1001 HydrophobicContact CD1-CG1 4.36Å; L995-V1001 HydrophobicContact CD2-CG1 4.44Å; L995-V1001 HydrophobicContact CD2-CG2 4.02Å; L995-V1001 HydrophobicContact CG-CB 4.29Å; L995-V1001 HydrophobicContact CG-CG1 4.03Å; L995-V1001 HydrophobicContact CG-CG2 4.06Å |
| 996 | S | 42 | Very low | 46.3 | Very low | 57 Ų | 57 | 67.9 Ų | 67.9 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.8 | -178.7 | 1.3 | 0 | 0 | 0 | 0 | 112.3 | P972 N974 Y994 G998 T1000 T1002 | P972-S996 VanDerWaalsContact C-N 3.33Å; P972-S996 VanDerWaalsContact CG-N 3.33Å; N974-S996 VanDerWaalsContact O-CB 3.24Å; N974-S996 WeakPolarHBondContact O-CB 3.14Å; Y994-S996 PolarHBondContact O-N 3.1Å; S996-G998 PolarHBondContact O-N 3.17Å; S996-T1000 PolarHBondContact N-O 3.23Å; S996-T1000 PolarHBondContact O-N 3.48Å; S996-T1000 VanDerWaalsContact O-O 3.1Å; S996-T1000 PolarHBondContact O-OG1 2.9Å; S996-T1000 VanDerWaalsContact O-OG1 3.05Å; S996-T1000 PolarHBondContact OG-OG1 3.1Å; S996-T1002 WeakPolarHBondContact OG-CG2 3.35Å |
| 997 | D | 45.9 | Very low | 47.7 | Very low | 140.5 Ų | 140.5 | 64 Ų | 64 | 75% | 0.751 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 49 | 165 | -59.6 | -18.5 | 0 | 0 | 0 | 115.6 | T973 L995 K999 | T973-D997 VanDerWaalsContact C-N 3.32Å; T973-D997 WeakPolarHBondContact CB-O 3.46Å; T973-D997 WeakPolarHBondContact O-CA 3.32Å; T973-D997 PolarHBondContact O-N 3.26Å; T973-D997 PolarHBondContact OG1-O 3.37Å; L995-D997 CarbonylContact O-C 3.57Å; L995-D997 WeakPolarHBondContact O-CA 3.42Å; L995-D997 PolarHBondContact O-N 3.38Å; D997-K999 PolarHBondContact O-N 3.37Å; D997-K999 VanDerWaalsContact O-N 3.14Å |
| 998 | G | 47.5 | Very low | 49.2 | Very low | 47 Ų | 47 | 61.7 Ų | 61.7 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 10.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | P968 I969 L995 S996 | P968-G998 WeakPolarHBondContact CB-O 3.13Å; I969-G998 WeakPolarHBondContact CD1-O 3.32Å; L995-G998 PolarHBondContact O-N 3.05Å; S996-G998 PolarHBondContact O-N 3.17Å |
| 999 | K | 47.5 | Very low | 50.3 | Low | 135.25 Ų | 135.25 | 58.9 Ų | 58.9 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.1 | -14.6 | -180 | -77.3 | 176.6 | -176.4 | 173.5 | 0 | 115.4 | G966 L967 P968 T973 C975 D997 | G966-K999 WeakPolarHBondContact CA-O 3.39Å; G966-K999 PolarHBondContact N-O 3.29Å; L967-K999 CarbonylContact C-O 3.38Å; L967-K999 PolarHBondContact N-O 3.2Å; L967-K999 CarbonylContact O-C 3.53Å; P968-K999 HydrophobicContact CG-CB 4.17Å; P968-K999 HydrophobicContact CG-CG 4.1Å; T973-K999 PolarHBondContact OG1-N 3.46Å; C975-K999 WeakPolarHBondContact O-CE 3.34Å; C975-K999 PolarHBondContact O-NZ 3.36Å; D997-K999 PolarHBondContact O-N 3.37Å; D997-K999 VanDerWaalsContact O-N 3.14Å |
| 1000 | T | 50.1 | Low | 51.3 | Low | 28.25 Ų | 28.25 | 56 Ų | 56 | 17% | 0.173 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143.3 | 179.9 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | C964 Q965 L967 P972 T973 S996 | C964-T1000 CarbonylContact O-C 3.53Å; C964-T1000 WeakPolarHBondContact O-CA 3.47Å; C964-T1000 WeakPolarHBondContact O-CB 3.41Å; Q965-T1000 HydrophobicContact CB-CG2 4.31Å; Q965-T1000 HydrophobicContact CG-CG2 3.96Å; L967-T1000 CarbonylContact O-C 3.57Å; L967-T1000 WeakPolarHBondContact O-CA 3.49Å; L967-T1000 PolarHBondContact O-N 2.89Å; P972-T1000 VanDerWaalsContact O-O 3.05Å; T973-T1000 WeakPolarHBondContact CG2-OG1 3.04Å; S996-T1000 PolarHBondContact N-O 3.23Å; S996-T1000 PolarHBondContact O-N 3.48Å; S996-T1000 VanDerWaalsContact O-O 3.1Å; S996-T1000 PolarHBondContact O-OG1 2.9Å; S996-T1000 VanDerWaalsContact O-OG1 3.05Å; S996-T1000 PolarHBondContact OG-OG1 3.1Å |
| 1001 | V | 54.2 | Low | 52.4 | Low | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 110.3 | 179.7 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | T963 C964 L967 L970 F971 I986 I993 Y994 L995 I1003 | T963-V1001 CarbonylContact C-O 3.47Å; T963-V1001 VanDerWaalsContact CA-O 3.22Å; T963-V1001 WeakPolarHBondContact CA-O 3.43Å; C964-V1001 HydrophobicContact CB-CB 4.28Å; C964-V1001 HydrophobicContact CB-CG1 4.38Å; C964-V1001 WeakPolarHBondContact CB-O 3.36Å; C964-V1001 PolarHBondContact N-O 3.36Å; C964-V1001 PolarHBondContact O-N 2.98Å; C964-V1001 VanDerWaalsContact O-N 3.11Å; C964-V1001 VanDerWaalsContact SG-CG1 3.59Å; L967-V1001 HydrophobicContact CB-CG2 4.19Å; L967-V1001 HydrophobicContact CD2-CB 4.4Å; L967-V1001 HydrophobicContact CD2-CG2 3.77Å; L967-V1001 HydrophobicContact CG-CG2 4.29Å; L967-V1001 VanDerWaalsContact O-CG2 3.29Å; L967-V1001 WeakPolarHBondContact O-CG2 3.49Å; L970-V1001 HydrophobicContact CB-CB 4.09Å; L970-V1001 HydrophobicContact CB-CG1 3.84Å; L970-V1001 HydrophobicContact CB-CG2 3.37Å; L970-V1001 HydrophobicContact CD1-CG1 3.89Å; L970-V1001 HydrophobicContact CD1-CG2 3.88Å; L970-V1001 HydrophobicContact CG-CG1 4.38Å; L970-V1001 HydrophobicContact CG-CG2 3.72Å; F971-V1001 HydrophobicContact CD2-CG2 3.65Å; F971-V1001 HydrophobicContact CE2-CB 4.25Å; F971-V1001 HydrophobicContact CE2-CG1 4.13Å; F971-V1001 HydrophobicContact CE2-CG2 3.86Å; F971-V1001 HydrophobicContact CG-CG2 4.26Å; F971-V1001 HydrophobicContact CZ-CG1 4.17Å; I986-V1001 HydrophobicContact CD1-CB 3.82Å; I986-V1001 HydrophobicContact CD1-CG1 3.98Å; I986-V1001 WeakPolarHBondContact CD1-O 3.36Å; I986-V1001 HydrophobicContact CG1-CB 4.48Å; I986-V1001 WeakPolarHBondContact CG1-O 3.48Å; I993-V1001 HydrophobicContact CG2-CG1 3.67Å; I993-V1001 WeakPolarHBondContact CG2-O 2.97Å; Y994-V1001 CarbonylContact O-C 3.46Å; L995-V1001 HydrophobicContact CD1-CG1 4.36Å; L995-V1001 HydrophobicContact CD2-CG1 4.44Å; L995-V1001 HydrophobicContact CD2-CG2 4.02Å; L995-V1001 HydrophobicContact CG-CB 4.29Å; L995-V1001 HydrophobicContact CG-CG1 4.03Å; L995-V1001 HydrophobicContact CG-CG2 4.06Å; V1001-I1003 HydrophobicContact CG1-CD1 4.3Å; V1001-I1003 HydrophobicContact CG1-CG1 4.06Å |
| 1002 | T | 56.7 | Low | 53.2 | Low | 22.4 Ų | 22.4 | 52.4 Ų | 52.4 | 14% | 0.137 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.8 | -177.4 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | V962 T963 F971 D985 I993 Y994 S996 | V962-T1002 CarbonylContact O-C 3.48Å; V962-T1002 VanDerWaalsContact O-CA 3.26Å; V962-T1002 WeakPolarHBondContact O-CA 3.39Å; T963-T1002 HydrophobicContact CG2-CG2 3.76Å; T963-T1002 VanDerWaalsContact CG2-CG2 3.42Å; F971-T1002 WeakPolarHBondContact CB-OG1 3.48Å; F971-T1002 WeakPolarHBondContact CD2-O 3.16Å; F971-T1002 WeakPolarHBondContact CD2-OG1 2.95Å; F971-T1002 VanDerWaalsContact CE2-O 3.25Å; F971-T1002 WeakPolarHBondContact CE2-O 2.89Å; F971-T1002 WeakPolarHBondContact CG-OG1 3.37Å; D985-T1002 WeakPolarHBondContact O-CA 3.24Å; D985-T1002 WeakPolarHBondContact O-CB 3.42Å; D985-T1002 WeakPolarHBondContact O-CG2 3.06Å; I993-T1002 CarbonylContact C-O 3.51Å; I993-T1002 VanDerWaalsContact CA-O 3.25Å; I993-T1002 WeakPolarHBondContact CA-O 3.46Å; Y994-T1002 CarbonylContact C-O 3.44Å; Y994-T1002 WeakPolarHBondContact CB-OG1 3.41Å; Y994-T1002 PolarHBondContact N-O 3.35Å; Y994-T1002 VanDerWaalsContact N-O 3.16Å; Y994-T1002 CarbonylContact O-C 3.28Å; Y994-T1002 VanDerWaalsContact O-CA 3.25Å; Y994-T1002 WeakPolarHBondContact O-CA 3.3Å; Y994-T1002 WeakPolarHBondContact O-CB 3.4Å; Y994-T1002 WeakPolarHBondContact O-CG2 3.22Å; Y994-T1002 PolarHBondContact O-N 3.13Å; Y994-T1002 VanDerWaalsContact O-N 3.13Å; Y994-T1002 VanDerWaalsContact O-O 3.12Å; Y994-T1002 PolarHBondContact O-OG1 3.21Å; S996-T1002 WeakPolarHBondContact OG-CG2 3.35Å |
| 1003 | I | 60.9 | Low | 54.2 | Low | 1.6 Ų | 1.6 | 50.7 Ų | 50.7 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.4 | -173.2 | -42.2 | 165.3 | 0 | 0 | 0 | 109 | T961 V962 I986 Q992 I993 V1001 L1005 F1023 | T961-I1003 CarbonylContact C-O 3.13Å; T961-I1003 VanDerWaalsContact CA-O 3.31Å; T961-I1003 WeakPolarHBondContact CA-O 3.43Å; V962-I1003 HydrophobicContact CB-CB 4.13Å; V962-I1003 HydrophobicContact CB-CD1 4.3Å; V962-I1003 HydrophobicContact CB-CG1 3.79Å; V962-I1003 VanDerWaalsContact CB-O 3.29Å; V962-I1003 WeakPolarHBondContact CB-O 3.03Å; V962-I1003 HydrophobicContact CG1-CB 4.23Å; V962-I1003 HydrophobicContact CG1-CD1 3.71Å; V962-I1003 HydrophobicContact CG1-CG1 3.69Å; V962-I1003 WeakPolarHBondContact CG1-O 3.35Å; V962-I1003 HydrophobicContact CG2-CB 4.03Å; V962-I1003 WeakPolarHBondContact CG2-O 3.35Å; V962-I1003 PolarHBondContact N-O 3.17Å; V962-I1003 PolarHBondContact O-N 3.12Å; I986-I1003 HydrophobicContact CB-CD1 4.35Å; I986-I1003 HydrophobicContact CB-CG1 4.01Å; I986-I1003 HydrophobicContact CD1-CD1 3.95Å; I986-I1003 HydrophobicContact CD1-CG1 3.94Å; I986-I1003 HydrophobicContact CG1-CD1 4.27Å; I986-I1003 HydrophobicContact CG1-CG1 3.79Å; I986-I1003 HydrophobicContact CG2-CB 3.92Å; I986-I1003 HydrophobicContact CG2-CD1 3.29Å; I986-I1003 HydrophobicContact CG2-CG1 3.39Å; Q992-I1003 HydrophobicContact CB-CG2 4.35Å; Q992-I1003 CarbonylContact O-C 3.54Å; Q992-I1003 WeakPolarHBondContact O-CA 3.42Å; Q992-I1003 WeakPolarHBondContact O-CG2 3.19Å; I993-I1003 HydrophobicContact CB-CG1 4.25Å; I993-I1003 HydrophobicContact CD1-CD1 4.24Å; I993-I1003 HydrophobicContact CD1-CG2 3.67Å; I993-I1003 HydrophobicContact CG1-CD1 3.9Å; I993-I1003 HydrophobicContact CG1-CG1 4.06Å; I993-I1003 HydrophobicContact CG1-CG2 4.01Å; I993-I1003 HydrophobicContact CG2-CG1 4.13Å; V1001-I1003 HydrophobicContact CG1-CD1 4.3Å; V1001-I1003 HydrophobicContact CG1-CG1 4.06Å; I1003-L1005 HydrophobicContact CB-CD1 3.39Å; I1003-L1005 HydrophobicContact CB-CD2 4.32Å; I1003-L1005 HydrophobicContact CB-CG 4.27Å; I1003-L1005 HydrophobicContact CG2-CD1 3.38Å; I1003-L1005 HydrophobicContact CG2-CD2 3.94Å; I1003-L1005 HydrophobicContact CG2-CG 4.06Å; I1003-F1023 HydrophobicContact CB-CD1 3.54Å; I1003-F1023 HydrophobicContact CB-CE1 3.88Å; I1003-F1023 HydrophobicContact CB-CZ 4.49Å; I1003-F1023 HydrophobicContact CD1-CD1 3.86Å; I1003-F1023 HydrophobicContact CD1-CE1 3.59Å; I1003-F1023 HydrophobicContact CD1-CE2 4.22Å; I1003-F1023 HydrophobicContact CD1-CG 4.25Å; I1003-F1023 HydrophobicContact CD1-CZ 3.97Å; I1003-F1023 HydrophobicContact CG1-CD1 4.38Å; I1003-F1023 HydrophobicContact CG1-CE1 3.87Å; I1003-F1023 HydrophobicContact CG1-CE2 3.99Å; I1003-F1023 HydrophobicContact CG1-CZ 3.93Å; I1003-F1023 HydrophobicContact CG2-CD1 3.89Å; I1003-F1023 VanDerWaalsContact CG2-CD1 3.5Å; I1003-F1023 HydrophobicContact CG2-CD2 4.11Å; I1003-F1023 HydrophobicContact CG2-CE1 3.46Å; I1003-F1023 HydrophobicContact CG2-CE2 4.07Å; I1003-F1023 HydrophobicContact CG2-CZ 4.11Å |
| 1004 | T | 60 | Low | 55 | Low | 25.2 Ų | 25.2 | 49.7 Ų | 49.7 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.5 | 173.7 | 16.4 | 0 | 0 | 0 | 0 | 111.6 | F959 L960 T961 N990 Q992 Y994 F1023 | F959-T1004 HydrophobicContact CB-CG2 4.05Å; F959-T1004 HydrophobicContact CD1-CG2 3.78Å; F959-T1004 WeakPolarHBondContact CD1-OG1 3.3Å; F959-T1004 HydrophobicContact CG-CG2 4.32Å; L960-T1004 WeakPolarHBondContact O-CA 3.37Å; T961-T1004 HydrophobicContact CG2-CG2 3.85Å; T961-T1004 WeakPolarHBondContact OG1-CA 3.2Å; T961-T1004 VanDerWaalsContact OG1-CB 3.29Å; T961-T1004 WeakPolarHBondContact OG1-CB 3.33Å; T961-T1004 PolarHBondContact OG1-OG1 2.97Å; N990-T1004 WeakPolarHBondContact CB-O 3.46Å; N990-T1004 PolarHBondContact ND2-O 3.08Å; Q992-T1004 WeakPolarHBondContact CB-OG1 3.38Å; Q992-T1004 VanDerWaalsContact CD-OG1 3.29Å; Q992-T1004 PolarHBondContact N-O 3.23Å; Q992-T1004 PolarHBondContact O-N 3.15Å; Q992-T1004 PolarHBondContact O-OG1 3.18Å; Q992-T1004 PolarHBondContact OE1-OG1 3.4Å; Y994-T1004 HydrophobicContact CE2-CG2 4.06Å; T1004-F1023 WeakPolarHBondContact O-CE1 3.42Å; T1004-F1023 WeakPolarHBondContact O-CZ 3.43Å |
| 1005 | L | 63.3 | Low | 55.9 | Low | 7.4 Ų | 7.4 | 47.5 Ų | 47.5 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.4 | -171 | -60.4 | 164.4 | 0 | 0 | 0 | 114.1 | F959 L960 V962 I987 D988 N989 N990 K991 I1003 V1007 Y1019 L1020 F1023 N1098 N1466 L1467 | F959-L1005 CarbonylContact C-O 3.5Å; F959-L1005 WeakPolarHBondContact CA-O 3.37Å; F959-L1005 WeakPolarHBondContact CD1-O 3.41Å; F959-L1005 VanDerWaalsContact CE1-O 3.23Å; F959-L1005 WeakPolarHBondContact CE1-O 3.31Å; L960-L1005 WeakPolarHBondContact CA-O 3.3Å; L960-L1005 HydrophobicContact CB-CD1 4.24Å; L960-L1005 VanDerWaalsContact CB-O 3.25Å; L960-L1005 WeakPolarHBondContact CB-O 3.24Å; L960-L1005 HydrophobicContact CD2-CB 4.42Å; L960-L1005 HydrophobicContact CD2-CD1 4.04Å; L960-L1005 PolarHBondContact N-O 2.93Å; L960-L1005 WeakPolarHBondContact O-CA 3.5Å; L960-L1005 WeakPolarHBondContact O-CB 3.33Å; L960-L1005 WeakPolarHBondContact O-CG 3.15Å; L960-L1005 PolarHBondContact O-N 3.14Å; V962-L1005 HydrophobicContact CG2-CD1 3.89Å; V962-L1005 HydrophobicContact CG2-CD2 4.36Å; V962-L1005 HydrophobicContact CG2-CG 4.17Å; I987-L1005 WeakPolarHBondContact O-CB 2.92Å; I987-L1005 WeakPolarHBondContact O-CD1 3.33Å; I987-L1005 WeakPolarHBondContact O-CD2 3.41Å; I987-L1005 WeakPolarHBondContact O-CG 3.37Å; D988-L1005 HydrophobicContact CB-CD2 3.55Å; N989-L1005 HydrophobicContact CB-CB 4.03Å; N989-L1005 VanDerWaalsContact N-CB 3.32Å; N990-L1005 HydrophobicContact CB-CB 4.24Å; N990-L1005 HydrophobicContact CB-CG 4.18Å; N990-L1005 VanDerWaalsContact N-CB 3.25Å; N990-L1005 WeakPolarHBondContact ND2-CA 3.07Å; K991-L1005 HydrophobicContact CD-CD2 4.16Å; K991-L1005 HydrophobicContact CG-CD2 4.34Å; K991-L1005 VanDerWaalsContact N-CD2 3.32Å; I1003-L1005 HydrophobicContact CB-CD1 3.39Å; I1003-L1005 HydrophobicContact CB-CD2 4.32Å; I1003-L1005 HydrophobicContact CB-CG 4.27Å; I1003-L1005 HydrophobicContact CG2-CD1 3.38Å; I1003-L1005 HydrophobicContact CG2-CD2 3.94Å; I1003-L1005 HydrophobicContact CG2-CG 4.06Å; L1005-V1007 HydrophobicContact CB-CG1 4.21Å; L1005-V1007 HydrophobicContact CB-CG2 4.27Å; L1005-V1007 PolarHBondContact O-N 3.08Å; L1005-Y1019 HydrophobicContact CD1-CD1 4.16Å; L1005-Y1019 HydrophobicContact CD1-CE1 3.81Å; L1005-Y1019 HydrophobicContact CD2-CD1 3.85Å; L1005-Y1019 HydrophobicContact CD2-CE1 3.64Å; L1005-Y1019 VanDerWaalsContact CD2-CE1 3.44Å; L1005-L1020 HydrophobicContact CD1-CD2 3.8Å; L1005-L1020 HydrophobicContact CD1-CG 4.08Å; L1005-F1023 HydrophobicContact CD2-CB 4.29Å; L1005-F1023 HydrophobicContact CD2-CD1 3.21Å; L1005-F1023 HydrophobicContact CD2-CD2 4.04Å; L1005-F1023 HydrophobicContact CD2-CE1 3.22Å; L1005-F1023 HydrophobicContact CD2-CE2 4.13Å; L1005-F1023 HydrophobicContact CD2-CG 3.6Å; L1005-F1023 HydrophobicContact CD2-CZ 3.74Å; L1005-F1023 HydrophobicContact CG-CD1 4.48Å; L1005-F1023 HydrophobicContact CG-CE1 4.37Å; L1005-N1098 HydrophobicContact CD1-CB 4.11Å; L1005-N1098 WeakPolarHBondContact CD1-ND2 3.44Å; L1005-N1466 VanDerWaalsContact C-CB 3.42Å; L1005-N1466 HydrophobicContact CB-CB 3.78Å; L1005-N1466 WeakPolarHBondContact CB-O 3.34Å; L1005-N1466 WeakPolarHBondContact CD1-O 3.4Å; L1005-N1466 VanDerWaalsContact O-CB 3.29Å; L1005-N1466 WeakPolarHBondContact O-CB 3.28Å; L1005-N1466 PolarHBondContact O-ND2 2.91Å; L1005-L1467 HydrophobicContact CB-CB 3.7Å; L1005-L1467 HydrophobicContact CB-CD1 4.25Å; L1005-L1467 HydrophobicContact CB-CG 3.64Å; L1005-L1467 HydrophobicContact CD1-CB 4.15Å; L1005-L1467 HydrophobicContact CD2-CB 3.71Å; L1005-L1467 HydrophobicContact CD2-CD1 3.3Å; L1005-L1467 HydrophobicContact CD2-CG 3.65Å; L1005-L1467 HydrophobicContact CG-CB 4.04Å; L1005-L1467 HydrophobicContact CG-CD1 4.31Å; L1005-L1467 HydrophobicContact CG-CG 4.16Å |
| 1006 | I | 60.5 | Low | 57.2 | Low | 83.2 Ų | 83.2 | 43.1 Ų | 43.1 | 43% | 0.427 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120 | 172.2 | -50.6 | 179.9 | 0 | 0 | 0 | 110.7 | F959 N989 N990 N1466 L1467 | F959-I1006 HydrophobicContact CD1-CD1 4.42Å; F959-I1006 HydrophobicContact CD1-CG1 3.69Å; F959-I1006 HydrophobicContact CE1-CD1 3.7Å; F959-I1006 HydrophobicContact CE1-CG1 3.75Å; F959-I1006 VanDerWaalsContact CE1-CG1 3.47Å; F959-I1006 HydrophobicContact CZ-CD1 4.18Å; F959-I1006 HydrophobicContact CZ-CG1 4.19Å; N989-I1006 VanDerWaalsContact CB-O 3.24Å; N989-I1006 WeakPolarHBondContact CB-O 3.5Å; N989-I1006 PolarHBondContact ND2-O 2.8Å; N990-I1006 HydrophobicContact CB-CB 4.27Å; N990-I1006 HydrophobicContact CB-CD1 3.87Å; N990-I1006 HydrophobicContact CB-CG1 4.22Å; N990-I1006 VanDerWaalsContact ND2-CG1 3.35Å; N990-I1006 WeakPolarHBondContact ND2-CG1 3.14Å; N990-I1006 PolarHBondContact ND2-N 3.34Å; N990-I1006 VanDerWaalsContact ND2-N 3.17Å; N990-I1006 WeakPolarHBondContact OD1-CD1 3.04Å; N990-I1006 WeakPolarHBondContact OD1-CG1 3.5Å; I1006-N1466 VanDerWaalsContact CA-CB 3.44Å; I1006-N1466 VanDerWaalsContact CA-ND2 3.33Å; I1006-N1466 WeakPolarHBondContact CA-ND2 3.38Å; I1006-L1467 HydrophobicContact CB-CD2 4.07Å; I1006-L1467 VanDerWaalsContact N-CD2 3.3Å; I1006-L1467 VanDerWaalsContact N-CG 3.3Å; I1006-L1467 VanDerWaalsContact O-CA 3.32Å; I1006-L1467 WeakPolarHBondContact O-CA 3.44Å; I1006-L1467 VanDerWaalsContact O-CD2 3.32Å; I1006-L1467 WeakPolarHBondContact O-CD2 3.03Å; I1006-L1467 PolarHBondContact O-N 3.47Å |
| 1007 | V | 63.9 | Low | 58.1 | Low | 13.4 Ų | 13.4 | 43.4 Ų | 43.4 | 8% | 0.081 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 156.8 | 173.1 | -134.9 | 0 | 0 | 0 | 0 | 112 | S957 F958 L960 N989 L1005 L1011 L1016 Y1019 L1101 L1104 N1466 L1467 | S957-V1007 CarbonylContact C-O 3.57Å; S957-V1007 VanDerWaalsContact CA-O 3.25Å; S957-V1007 WeakPolarHBondContact CA-O 3.41Å; S957-V1007 WeakPolarHBondContact CB-O 2.97Å; S957-V1007 PolarHBondContact OG-O 2.91Å; F958-V1007 HydrophobicContact CD2-CG2 4.05Å; F958-V1007 HydrophobicContact CE1-CG1 4.45Å; F958-V1007 HydrophobicContact CE2-CB 4.24Å; F958-V1007 HydrophobicContact CE2-CG1 4.29Å; F958-V1007 HydrophobicContact CE2-CG2 3.67Å; F958-V1007 HydrophobicContact CZ-CB 4.3Å; F958-V1007 HydrophobicContact CZ-CG1 3.93Å; F958-V1007 HydrophobicContact CZ-CG2 3.98Å; F958-V1007 PolarHBondContact N-O 3.22Å; F958-V1007 PolarHBondContact O-N 3.31Å; F958-V1007 VanDerWaalsContact O-O 3.07Å; L960-V1007 HydrophobicContact CB-CB 4.41Å; L960-V1007 HydrophobicContact CB-CG2 3.76Å; L960-V1007 VanDerWaalsContact CB-CG2 3.48Å; L960-V1007 HydrophobicContact CD1-CG2 4.28Å; L960-V1007 HydrophobicContact CD2-CG2 4.04Å; L960-V1007 HydrophobicContact CG-CG2 4.4Å; N989-V1007 HydrophobicContact CB-CG2 3.67Å; L1005-V1007 HydrophobicContact CB-CG1 4.21Å; L1005-V1007 HydrophobicContact CB-CG2 4.27Å; L1005-V1007 PolarHBondContact O-N 3.08Å; V1007-L1011 HydrophobicContact CB-CD2 4.36Å; V1007-L1011 HydrophobicContact CG1-CB 4.08Å; V1007-L1011 HydrophobicContact CG1-CD2 3.61Å; V1007-L1011 VanDerWaalsContact CG1-CD2 3.41Å; V1007-L1011 HydrophobicContact CG1-CG 4.39Å; V1007-L1011 HydrophobicContact CG2-CD2 4.24Å; V1007-L1016 HydrophobicContact CG1-CD1 3.98Å; V1007-L1016 HydrophobicContact CG1-CD2 4.27Å; V1007-L1016 HydrophobicContact CG2-CD1 4.01Å; V1007-L1016 HydrophobicContact CG2-CD2 4.44Å; V1007-Y1019 HydrophobicContact CG1-CE2 4.35Å; V1007-Y1019 WeakPolarHBondContact CG1-OH 3.41Å; V1007-Y1019 HydrophobicContact CG2-CE1 3.94Å; V1007-Y1019 VanDerWaalsContact CG2-CZ 3.47Å; V1007-Y1019 WeakPolarHBondContact CG2-OH 3.13Å; V1007-L1101 HydrophobicContact CB-CD2 4.09Å; V1007-L1101 HydrophobicContact CG2-CD2 3.65Å; V1007-L1104 HydrophobicContact CB-CD1 3.49Å; V1007-L1104 VanDerWaalsContact CB-CD1 3.49Å; V1007-L1104 HydrophobicContact CB-CD2 3.42Å; V1007-L1104 VanDerWaalsContact CB-CD2 3.42Å; V1007-L1104 HydrophobicContact CB-CG 3.99Å; V1007-L1104 HydrophobicContact CG1-CD1 3.47Å; V1007-L1104 VanDerWaalsContact CG1-CD1 3.47Å; V1007-L1104 HydrophobicContact CG1-CD2 3.88Å; V1007-L1104 HydrophobicContact CG1-CG 4.08Å; V1007-L1104 HydrophobicContact CG2-CD2 3.52Å; V1007-N1466 PolarHBondContact N-OD1 2.87Å; V1007-L1467 VanDerWaalsContact CG2-N 3.3Å |
| 1008 | H | 63.2 | Low | 58.7 | Low | 50 Ų | 50 | 39.9 Ų | 39.9 | 23% | 0.231 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.4 | 177.8 | 109.2 | 42.4 | 0 | 0 | 0 | 111.3 | I954 G955 S956 N1010 L1011 L1100 N1465 | I954-H1008 HydrophobicContact CG2-CB 3.75Å; I954-H1008 CarbonylContact O-C 3.44Å; I954-H1008 VanDerWaalsContact O-C 3.27Å; I954-H1008 WeakPolarHBondContact O-CB 3.43Å; I954-H1008 VanDerWaalsContact O-CG 3.31Å; I954-H1008 PolarHBondContact O-ND1 2.83Å; G955-H1008 PolarHBondContact O-CE1 3.36Å; G955-H1008 VanDerWaalsContact O-CE1 3.29Å; S956-H1008 CarbonylContact O-C 3.44Å; S956-H1008 WeakPolarHBondContact O-CA 3.36Å; H1008-N1010 VanDerWaalsContact C-N 3.33Å; H1008-N1010 PolarHBondContact CE1-ND2 2.98Å; H1008-N1010 VanDerWaalsContact CE1-ND2 3.32Å; H1008-N1010 PolarHBondContact ND1-N 3.02Å; H1008-N1010 PolarHBondContact ND1-ND2 3.2Å; H1008-N1010 PolarHBondContact O-N 3.21Å; H1008-L1011 WeakPolarHBondContact CE1-CD1 3.12Å; H1008-L1011 PolarHBondContact CE1-N 2.97Å; H1008-L1011 PolarHBondContact ND1-N 2.8Å; H1008-L1011 VanDerWaalsContact ND1-N 3.16Å; H1008-L1011 WeakPolarHBondContact NE2-CD1 3.36Å; H1008-L1011 WeakPolarHBondContact O-CA 3.31Å; H1008-L1011 VanDerWaalsContact O-CB 3.29Å; H1008-L1011 WeakPolarHBondContact O-CB 3.36Å; H1008-L1011 PolarHBondContact O-N 3.02Å; H1008-L1100 HydrophobicContact CB-CD1 3.97Å; H1008-N1465 PolarHBondContact O-ND2 3.3Å |
| 1009 | G | 57.4 | Low | 59.3 | Low | 19.2 Ų | 19.2 | 42 Ų | 42 | 20% | 0.198 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 6.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | I954 S956 L1100 L1101 V1102 N1103 L1104 | I954-G1009 PolarHBondContact O-N 3.05Å; S956-G1009 PolarHBondContact O-N 2.92Å; G1009-L1100 VanDerWaalsContact CA-CG 3.49Å; G1009-L1100 WeakPolarHBondContact CA-O 2.94Å; G1009-L1101 PolarHBondContact O-N 2.95Å; G1009-V1102 PolarHBondContact O-N 3.41Å; G1009-N1103 WeakPolarHBondContact O-CB 2.85Å; G1009-N1103 PolarHBondContact O-ND2 2.86Å; G1009-L1104 VanDerWaalsContact CA-CD1 3.42Å |
| 1010 | N | 58.9 | Low | 60.1 | Low | 47.4 Ų | 47.4 | 36.2 Ų | 36.2 | 25% | 0.253 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 6.6 | 166.1 | -71.2 | -30.7 | 0 | 0 | 0 | 113.2 | R951 W953 I954 G955 H1008 T1012 N1103 | R951-N1010 PolarHBondContact O-ND2 3.16Å; W953-N1010 VanDerWaalsContact CD1-OD1 3.27Å; W953-N1010 VanDerWaalsContact CD2-ND2 3.27Å; W953-N1010 PolarHBondContact NE1-ND2 3.35Å; W953-N1010 PolarHBondContact NE1-OD1 3.03Å; W953-N1010 WeakPolarHBondContact O-CB 3.41Å; W953-N1010 PolarHBondContact O-ND2 3.13Å; W953-N1010 VanDerWaalsContact O-ND2 3.12Å; W953-N1010 PolarHBondContact O-OD1 3.2Å; I954-N1010 WeakPolarHBondContact O-CB 3.21Å; I954-N1010 PolarHBondContact O-N 2.92Å; I954-N1010 PolarHBondContact O-ND2 3.12Å; I954-N1010 PolarHBondContact O-OD1 3.38Å; G955-N1010 WeakPolarHBondContact CA-ND2 3.21Å; G955-N1010 WeakPolarHBondContact CA-OD1 2.95Å; G955-N1010 PolarHBondContact N-ND2 3.28Å; H1008-N1010 VanDerWaalsContact C-N 3.33Å; H1008-N1010 PolarHBondContact CE1-ND2 2.98Å; H1008-N1010 VanDerWaalsContact CE1-ND2 3.32Å; H1008-N1010 PolarHBondContact ND1-N 3.02Å; H1008-N1010 PolarHBondContact ND1-ND2 3.2Å; H1008-N1010 PolarHBondContact O-N 3.21Å; N1010-T1012 WeakPolarHBondContact O-CG2 3.29Å; N1010-T1012 PolarHBondContact O-N 3.09Å; N1010-N1103 WeakPolarHBondContact CA-ND2 3.47Å; N1010-N1103 PolarHBondContact OD1-ND2 3.36Å |
| 1011 | L | 63.1 | Low | 60.5 | Low | 31.4 Ų | 31.4 | 37.3 Ų | 37.3 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | trans | -66.2 | 132.4 | 169.8 | -169.4 | 76.5 | 0 | 0 | 0 | 108.3 | V1007 H1008 E1015 L1016 Y1019 E1099 L1101 N1103 | V1007-L1011 HydrophobicContact CB-CD2 4.36Å; V1007-L1011 HydrophobicContact CG1-CB 4.08Å; V1007-L1011 HydrophobicContact CG1-CD2 3.61Å; V1007-L1011 VanDerWaalsContact CG1-CD2 3.41Å; V1007-L1011 HydrophobicContact CG1-CG 4.39Å; V1007-L1011 HydrophobicContact CG2-CD2 4.24Å; H1008-L1011 WeakPolarHBondContact CE1-CD1 3.12Å; H1008-L1011 PolarHBondContact CE1-N 2.97Å; H1008-L1011 PolarHBondContact ND1-N 2.8Å; H1008-L1011 VanDerWaalsContact ND1-N 3.16Å; H1008-L1011 WeakPolarHBondContact NE2-CD1 3.36Å; H1008-L1011 WeakPolarHBondContact O-CA 3.31Å; H1008-L1011 VanDerWaalsContact O-CB 3.29Å; H1008-L1011 WeakPolarHBondContact O-CB 3.36Å; H1008-L1011 PolarHBondContact O-N 3.02Å; L1011-E1015 HydrophobicContact CD1-CB 3.55Å; L1011-E1015 VanDerWaalsContact CD1-CB 3.45Å; L1011-E1015 HydrophobicContact CD1-CG 4.31Å; L1011-E1015 HydrophobicContact CD2-CB 4.2Å; L1011-E1015 HydrophobicContact CG-CB 3.93Å; L1011-E1015 HydrophobicContact CG-CG 4.49Å; L1011-L1016 HydrophobicContact CD2-CB 3.91Å; L1011-L1016 HydrophobicContact CD2-CD1 3.97Å; L1011-L1016 HydrophobicContact CD2-CG 4.47Å; L1011-L1016 HydrophobicContact CG-CB 4.38Å; L1011-Y1019 HydrophobicContact CD1-CD2 4.14Å; L1011-Y1019 HydrophobicContact CD1-CE2 3.82Å; L1011-Y1019 HydrophobicContact CD2-CD2 4.49Å; L1011-Y1019 HydrophobicContact CD2-CE1 4.33Å; L1011-Y1019 WeakPolarHBondContact CD2-OH 3.43Å; L1011-E1099 WeakPolarHBondContact CA-OE2 3.01Å; L1011-E1099 HydrophobicContact CB-CB 3.64Å; L1011-E1099 VanDerWaalsContact CB-OE2 3.25Å; L1011-E1099 WeakPolarHBondContact CB-OE2 3.23Å; L1011-E1099 HydrophobicContact CD2-CB 3.81Å; L1011-E1099 HydrophobicContact CG-CB 4.09Å; L1011-E1099 PolarHBondContact N-OE2 3.34Å; L1011-E1099 WeakPolarHBondContact O-CB 2.99Å; L1011-E1099 VanDerWaalsContact O-OE2 3.12Å; L1011-L1101 HydrophobicContact CD2-CD2 4.45Å; L1011-L1101 WeakPolarHBondContact O-CB 3.41Å; L1011-L1101 PolarHBondContact O-N 3.32Å; L1011-N1103 WeakPolarHBondContact O-CB 3.1Å; L1011-N1103 PolarHBondContact O-ND2 2.79Å; L1011-N1103 VanDerWaalsContact O-ND2 3.1Å | ||
| 1012 | T | 59.2 | Low | 60.6 | Low | 43.8 Ų | 43.8 | 40 Ų | 40 | 27% | 0.269 | 22% | 0.215 | S | C | . | . | trans | -82.7 | 157.5 | -179.7 | 71.3 | 0 | 0 | 0 | 0 | 111.3 | N1010 G1014 E1015 L1016 D1097 E1099 L1100 F1107 | N1010-T1012 WeakPolarHBondContact O-CG2 3.29Å; N1010-T1012 PolarHBondContact O-N 3.09Å; T1012-G1014 PolarHBondContact O-N 3.19Å; T1012-G1014 VanDerWaalsContact O-N 3.16Å; T1012-G1014 WeakPolarHBondContact OG1-CA 3.41Å; T1012-G1014 PolarHBondContact OG1-N 2.89Å; T1012-E1015 WeakPolarHBondContact CA-OE2 3.34Å; T1012-E1015 WeakPolarHBondContact CB-OE2 3.11Å; T1012-E1015 VanDerWaalsContact CG2-OE2 3.29Å; T1012-E1015 WeakPolarHBondContact CG2-OE2 3.29Å; T1012-E1015 PolarHBondContact N-OE2 3.21Å; T1012-E1015 VanDerWaalsContact N-OE2 3.12Å; T1012-E1015 WeakPolarHBondContact O-CA 3.4Å; T1012-E1015 WeakPolarHBondContact O-CB 3.32Å; T1012-E1015 PolarHBondContact O-N 3.2Å; T1012-E1015 VanDerWaalsContact O-N 3.13Å; T1012-E1015 VanDerWaalsContact O-O 3.1Å; T1012-E1015 VanDerWaalsContact OG1-CD 3.32Å; T1012-E1015 VanDerWaalsContact OG1-CG 3.24Å; T1012-E1015 WeakPolarHBondContact OG1-CG 3.33Å; T1012-E1015 PolarHBondContact OG1-N 3.01Å; T1012-E1015 VanDerWaalsContact OG1-N 3.12Å; T1012-E1015 PolarHBondContact OG1-OE2 3.03Å; T1012-L1016 PolarHBondContact O-N 3.11Å; T1012-D1097 WeakPolarHBondContact CB-O 3.47Å; T1012-D1097 PolarHBondContact OG1-O 2.97Å; T1012-E1099 CarbonylContact C-O 3.59Å; T1012-E1099 WeakPolarHBondContact CA-O 3.47Å; T1012-E1099 WeakPolarHBondContact CB-O 3.36Å; T1012-E1099 CarbonylContact O-C 3.6Å; T1012-L1100 HydrophobicContact CG2-CD2 4.34Å; T1012-L1100 VanDerWaalsContact O-CA 3.26Å; T1012-L1100 WeakPolarHBondContact O-CA 3.26Å; T1012-L1100 WeakPolarHBondContact O-CB 3.22Å; T1012-L1100 PolarHBondContact O-N 2.84Å; T1012-F1107 HydrophobicContact CG2-CZ 4.07Å | ||
| 1013 | L | 60.5 | Low | 60.6 | Low | 47.4 Ų | 47.4 | 40.7 Ų | 40.7 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -6.1 | 169.4 | -146.8 | 96.1 | 0 | 0 | 0 | 111.5 | L1016 R1017 L1077 L1092 I1096 E1099 L1100 L1101 N1103 L1104 F1107 F1108 W1111 | L1013-L1016 HydrophobicContact CB-CB 4Å; L1013-L1016 HydrophobicContact CD2-CD2 4.17Å; L1013-L1016 HydrophobicContact CG-CB 4.1Å; L1013-L1016 HydrophobicContact CG-CD2 3.97Å; L1013-L1016 PolarHBondContact O-N 2.81Å; L1013-R1017 VanDerWaalsContact O-CB 3.3Å; L1013-R1017 WeakPolarHBondContact O-CB 3.31Å; L1013-R1017 WeakPolarHBondContact O-CD 3.17Å; L1013-R1017 VanDerWaalsContact O-CG 3.29Å; L1013-R1017 WeakPolarHBondContact O-CG 3.36Å; L1013-R1017 PolarHBondContact O-N 3.19Å; L1013-R1017 VanDerWaalsContact O-N 3.17Å; L1013-L1077 HydrophobicContact CD1-CD1 4.26Å; L1013-L1092 HydrophobicContact CD1-CD1 4.31Å; L1013-L1092 HydrophobicContact CD2-CB 4.12Å; L1013-L1092 HydrophobicContact CD2-CD2 4.14Å; L1013-I1096 HydrophobicContact CD2-CB 3.93Å; L1013-I1096 HydrophobicContact CD2-CG2 3.87Å; L1013-E1099 PolarHBondContact N-O 3.29Å; L1013-L1100 HydrophobicContact CB-CG 4.19Å; L1013-L1100 HydrophobicContact CD1-CD2 4.44Å; L1013-L1100 HydrophobicContact CD2-CD1 4.48Å; L1013-L1100 HydrophobicContact CD2-CD2 3.73Å; L1013-L1100 HydrophobicContact CD2-CG 3.82Å; L1013-L1100 HydrophobicContact CG-CB 4.5Å; L1013-L1100 HydrophobicContact CG-CD2 3.63Å; L1013-L1100 HydrophobicContact CG-CG 3.63Å; L1013-L1101 HydrophobicContact CD1-CD1 4.08Å; L1013-N1103 WeakPolarHBondContact CD1-O 3.19Å; L1013-L1104 HydrophobicContact CB-CB 3.23Å; L1013-L1104 HydrophobicContact CB-CD1 4.47Å; L1013-L1104 HydrophobicContact CD1-CD1 4.38Å; L1013-L1104 HydrophobicContact CD1-CD2 4.1Å; L1013-L1104 WeakPolarHBondContact CD1-O 3.16Å; L1013-L1104 WeakPolarHBondContact CD2-O 2.92Å; L1013-L1104 WeakPolarHBondContact CG-O 3.34Å; L1013-F1107 HydrophobicContact CB-CB 3.7Å; L1013-F1107 HydrophobicContact CB-CD1 3.74Å; L1013-F1107 HydrophobicContact CB-CD2 4.17Å; L1013-F1107 HydrophobicContact CB-CE1 4.44Å; L1013-F1107 HydrophobicContact CB-CG 3.58Å; L1013-F1107 HydrophobicContact CD1-CB 4.29Å; L1013-F1107 HydrophobicContact CD1-CD2 3.55Å; L1013-F1107 HydrophobicContact CD1-CE2 3.98Å; L1013-F1107 HydrophobicContact CD1-CG 3.86Å; L1013-F1107 HydrophobicContact CD2-CB 4.46Å; L1013-F1107 HydrophobicContact CG-CB 4.4Å; L1013-F1107 HydrophobicContact CG-CD2 4.45Å; L1013-F1107 HydrophobicContact CG-CG 4.28Å; L1013-F1107 VanDerWaalsContact N-CE1 3.31Å; L1013-F1108 HydrophobicContact CD2-CB 4.32Å; L1013-F1108 HydrophobicContact CD2-CD2 3.29Å; L1013-F1108 HydrophobicContact CD2-CE2 3.81Å; L1013-F1108 HydrophobicContact CD2-CG 4.02Å; L1013-F1108 VanDerWaalsContact CD2-N 3.29Å; L1013-W1111 HydrophobicContact CD1-CH2 3.98Å; L1013-W1111 HydrophobicContact CD1-CZ2 3.41Å; L1013-W1111 VanDerWaalsContact CD1-CZ2 3.41Å; L1013-W1111 HydrophobicContact CD2-CZ2 4.25Å |
| 1014 | G | 60.3 | Low | 60.3 | Low | 27.8 Ų | 27.8 | 42.2 Ų | 42.2 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -81.5 | -43.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1012 R1017 V1018 D1097 | T1012-G1014 PolarHBondContact O-N 3.19Å; T1012-G1014 VanDerWaalsContact O-N 3.16Å; T1012-G1014 WeakPolarHBondContact OG1-CA 3.41Å; T1012-G1014 PolarHBondContact OG1-N 2.89Å; G1014-R1017 WeakPolarHBondContact O-CB 3.32Å; G1014-R1017 PolarHBondContact O-N 3.18Å; G1014-V1018 WeakPolarHBondContact O-CG2 3.37Å; G1014-V1018 PolarHBondContact O-N 3.16Å; G1014-D1097 WeakPolarHBondContact CA-OD2 3.17Å; G1014-D1097 PolarHBondContact N-O 3.33Å |
| 1015 | E | 60.5 | Low | 59.6 | Low | 62.8 Ų | 62.8 | 44.2 Ų | 44.2 | 29% | 0.293 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -76.7 | -38.6 | 175.1 | -63.7 | 147.7 | 145.8 | 0 | 0 | 111.4 | L936 R951 L1011 T1012 R1017 V1018 Y1019 I1096 E1099 L1100 | L936-E1015 WeakPolarHBondContact CD1-OE1 3.47Å; R951-E1015 IonicContact CZ-OE1 3.25Å; R951-E1015 IonicContact CZ-OE2 3.93Å; R951-E1015 IonicContact NE-OE1 2.96Å; R951-E1015 PolarHBondContact NE-OE1 3.12Å; R951-E1015 IonicContact NH1-OE1 3.59Å; R951-E1015 PolarHBondContact NH1-OE1 3.24Å; R951-E1015 IonicContact NH1-OE2 4Å; R951-E1015 PolarHBondContact NH1-OE2 2.66Å; R951-E1015 VanDerWaalsContact NH2-CD 3.28Å; R951-E1015 IonicContact NH2-OE1 2.73Å; R951-E1015 PolarHBondContact NH2-OE1 3.26Å; R951-E1015 IonicContact NH2-OE2 3.12Å; R951-E1015 PolarHBondContact NH2-OE2 3.45Å; L1011-E1015 HydrophobicContact CD1-CB 3.55Å; L1011-E1015 VanDerWaalsContact CD1-CB 3.45Å; L1011-E1015 HydrophobicContact CD1-CG 4.31Å; L1011-E1015 HydrophobicContact CD2-CB 4.2Å; L1011-E1015 HydrophobicContact CG-CB 3.93Å; L1011-E1015 HydrophobicContact CG-CG 4.49Å; T1012-E1015 WeakPolarHBondContact CA-OE2 3.34Å; T1012-E1015 WeakPolarHBondContact CB-OE2 3.11Å; T1012-E1015 VanDerWaalsContact CG2-OE2 3.29Å; T1012-E1015 WeakPolarHBondContact CG2-OE2 3.29Å; T1012-E1015 PolarHBondContact N-OE2 3.21Å; T1012-E1015 VanDerWaalsContact N-OE2 3.12Å; T1012-E1015 WeakPolarHBondContact O-CA 3.4Å; T1012-E1015 WeakPolarHBondContact O-CB 3.32Å; T1012-E1015 PolarHBondContact O-N 3.2Å; T1012-E1015 VanDerWaalsContact O-N 3.13Å; T1012-E1015 VanDerWaalsContact O-O 3.1Å; T1012-E1015 VanDerWaalsContact OG1-CD 3.32Å; T1012-E1015 VanDerWaalsContact OG1-CG 3.24Å; T1012-E1015 WeakPolarHBondContact OG1-CG 3.33Å; T1012-E1015 PolarHBondContact OG1-N 3.01Å; T1012-E1015 VanDerWaalsContact OG1-N 3.12Å; T1012-E1015 PolarHBondContact OG1-OE2 3.03Å; E1015-R1017 VanDerWaalsContact C-N 3.31Å; E1015-R1017 PolarHBondContact O-N 3.36Å; E1015-V1018 CarbonylContact O-C 3.28Å; E1015-V1018 PolarHBondContact O-N 3.16Å; E1015-Y1019 HydrophobicContact CB-CD2 4.5Å; E1015-Y1019 HydrophobicContact CB-CE2 4.44Å; E1015-Y1019 WeakPolarHBondContact O-CB 3.24Å; E1015-Y1019 WeakPolarHBondContact O-CD2 3.05Å; E1015-Y1019 PolarHBondContact O-N 3.14Å; E1015-I1096 HydrophobicContact CB-CD1 4.46Å; E1015-I1096 HydrophobicContact CB-CG2 4.17Å; E1015-E1099 CarbonylContact O-C 3.34Å; E1015-E1099 PolarHBondContact O-N 3.23Å; E1015-L1100 WeakPolarHBondContact O-CB 3.06Å; E1015-L1100 PolarHBondContact O-N 2.83Å |
| 1016 | L | 65.7 | Low | 58.8 | Low | 8.4 Ų | 8.4 | 49.2 Ų | 49.2 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.6 | -49.4 | -178.5 | -173.4 | 82.7 | 0 | 0 | 0 | 111.3 | L960 D988 N989 V1007 L1011 T1012 L1013 V1018 Y1019 L1020 L1077 I1096 D1097 N1098 E1099 L1100 L1101 L1104 F1108 W1111 L1133 | L960-L1016 HydrophobicContact CD1-CD1 4.25Å; L960-L1016 HydrophobicContact CD2-CD1 3.92Å; L960-L1016 HydrophobicContact CD2-CD2 3.9Å; L960-L1016 HydrophobicContact CD2-CG 4.41Å; D988-L1016 WeakPolarHBondContact O-CD1 2.81Å; N989-L1016 HydrophobicContact CB-CD1 4.36Å; V1007-L1016 HydrophobicContact CG1-CD1 3.98Å; V1007-L1016 HydrophobicContact CG1-CD2 4.27Å; V1007-L1016 HydrophobicContact CG2-CD1 4.01Å; V1007-L1016 HydrophobicContact CG2-CD2 4.44Å; L1011-L1016 HydrophobicContact CD2-CB 3.91Å; L1011-L1016 HydrophobicContact CD2-CD1 3.97Å; L1011-L1016 HydrophobicContact CD2-CG 4.47Å; L1011-L1016 HydrophobicContact CG-CB 4.38Å; T1012-L1016 PolarHBondContact O-N 3.11Å; L1013-L1016 HydrophobicContact CB-CB 4Å; L1013-L1016 HydrophobicContact CD2-CD2 4.17Å; L1013-L1016 HydrophobicContact CG-CB 4.1Å; L1013-L1016 HydrophobicContact CG-CD2 3.97Å; L1013-L1016 PolarHBondContact O-N 2.81Å; L1016-V1018 VanDerWaalsContact C-N 3.33Å; L1016-V1018 PolarHBondContact O-N 3.44Å; L1016-Y1019 VanDerWaalsContact O-CB 3.3Å; L1016-Y1019 WeakPolarHBondContact O-CB 3.31Å; L1016-Y1019 PolarHBondContact O-N 3.13Å; L1016-Y1019 VanDerWaalsContact O-N 3.12Å; L1016-L1020 HydrophobicContact CD1-CD1 4.23Å; L1016-L1020 HydrophobicContact CD1-CG 4.02Å; L1016-L1020 HydrophobicContact CD2-CD1 4.38Å; L1016-L1020 HydrophobicContact CG-CD1 4.22Å; L1016-L1020 HydrophobicContact CG-CG 4.42Å; L1016-L1020 WeakPolarHBondContact O-CB 3.39Å; L1016-L1020 WeakPolarHBondContact O-CD1 3.36Å; L1016-L1020 WeakPolarHBondContact O-CG 3.42Å; L1016-L1020 PolarHBondContact O-N 3.22Å; L1016-L1020 VanDerWaalsContact O-N 3.07Å; L1016-L1077 HydrophobicContact CD2-CD1 4.44Å; L1016-I1096 WeakPolarHBondContact CA-O 3.46Å; L1016-I1096 VanDerWaalsContact N-CG2 3.32Å; L1016-I1096 PolarHBondContact N-O 3.08Å; L1016-D1097 VanDerWaalsContact CA-CB 3.46Å; L1016-D1097 HydrophobicContact CB-CB 3.47Å; L1016-D1097 VanDerWaalsContact CB-CB 3.47Å; L1016-D1097 HydrophobicContact CD1-CB 4.3Å; L1016-D1097 HydrophobicContact CD2-CB 3.57Å; L1016-D1097 VanDerWaalsContact CD2-OD1 3.3Å; L1016-D1097 WeakPolarHBondContact CD2-OD1 3.49Å; L1016-D1097 HydrophobicContact CG-CB 3.11Å; L1016-N1098 VanDerWaalsContact CD1-C 3.42Å; L1016-N1098 VanDerWaalsContact CD1-CA 3.5Å; L1016-E1099 VanDerWaalsContact CB-N 3.33Å; L1016-L1100 HydrophobicContact CB-CB 3.46Å; L1016-L1100 VanDerWaalsContact CB-CB 3.46Å; L1016-L1100 HydrophobicContact CD2-CB 4.08Å; L1016-L1100 HydrophobicContact CG-CB 4.14Å; L1016-L1100 WeakPolarHBondContact O-CD1 3.48Å; L1016-L1101 HydrophobicContact CD1-CB 3.09Å; L1016-L1101 HydrophobicContact CD1-CD1 4.48Å; L1016-L1101 HydrophobicContact CD1-CG 4.34Å; L1016-L1101 VanDerWaalsContact CD1-N 3.3Å; L1016-L1101 HydrophobicContact CD2-CB 3.59Å; L1016-L1101 HydrophobicContact CD2-CD1 3.58Å; L1016-L1101 VanDerWaalsContact CD2-CD1 3.47Å; L1016-L1101 HydrophobicContact CD2-CD2 4.23Å; L1016-L1101 HydrophobicContact CD2-CG 4.27Å; L1016-L1101 HydrophobicContact CG-CB 4.05Å; L1016-L1104 HydrophobicContact CD2-CD2 3.63Å; L1016-L1104 HydrophobicContact CD2-CG 3.99Å; L1016-F1108 HydrophobicContact CD2-CE2 4.37Å; L1016-W1111 HydrophobicContact CB-CZ2 4.38Å; L1016-W1111 HydrophobicContact CD2-CH2 4.24Å; L1016-W1111 HydrophobicContact CD2-CZ2 3.78Å; L1016-W1111 HydrophobicContact CG-CH2 4.45Å; L1016-W1111 HydrophobicContact CG-CZ2 3.78Å; L1016-L1133 HydrophobicContact CD2-CD1 3.82Å |
| 1017 | R | 59.8 | Low | 58 | Low | 63.2 Ų | 63.2 | 46.3 Ų | 46.3 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -47.3 | -29.3 | -176.5 | -97.5 | 171.5 | -136.4 | 165.6 | 0.6 | 112.3 | L1013 G1014 E1015 Y1019 L1020 L1021 L1075 L1077 L1092 D1097 L1100 L1101 F1107 N1110 W1111 N1114 F1115 | L1013-R1017 VanDerWaalsContact O-CB 3.3Å; L1013-R1017 WeakPolarHBondContact O-CB 3.31Å; L1013-R1017 WeakPolarHBondContact O-CD 3.17Å; L1013-R1017 VanDerWaalsContact O-CG 3.29Å; L1013-R1017 WeakPolarHBondContact O-CG 3.36Å; L1013-R1017 PolarHBondContact O-N 3.19Å; L1013-R1017 VanDerWaalsContact O-N 3.17Å; G1014-R1017 WeakPolarHBondContact O-CB 3.32Å; G1014-R1017 PolarHBondContact O-N 3.18Å; E1015-R1017 VanDerWaalsContact C-N 3.31Å; E1015-R1017 PolarHBondContact O-N 3.36Å; R1017-Y1019 VanDerWaalsContact C-N 3.27Å; R1017-Y1019 PolarHBondContact O-N 3.09Å; R1017-L1020 PolarHBondContact O-N 3.11Å; R1017-L1021 VanDerWaalsContact O-CB 3.26Å; R1017-L1021 WeakPolarHBondContact O-CB 3.45Å; R1017-L1021 PolarHBondContact O-N 3Å; R1017-L1075 WeakPolarHBondContact CD-O 3.32Å; R1017-L1075 HydrophobicContact CG-CB 3.84Å; R1017-L1075 HydrophobicContact CG-CD2 4.04Å; R1017-L1075 HydrophobicContact CG-CG 4.46Å; R1017-L1075 PolarHBondContact NE-O 3.28Å; R1017-L1077 HydrophobicContact CB-CD1 4.16Å; R1017-L1077 HydrophobicContact CG-CD1 4.35Å; R1017-L1092 PolarHBondContact NH2-O 3.1Å; R1017-D1097 WeakPolarHBondContact CA-OD1 3.24Å; R1017-D1097 IonicContact CZ-OD1 2.69Å; R1017-D1097 PolarHBondContact N-OD1 3.15Å; R1017-D1097 IonicContact NH1-OD1 2.69Å; R1017-D1097 PolarHBondContact NH1-OD1 2.83Å; R1017-D1097 IonicContact NH1-OD2 2.76Å; R1017-D1097 PolarHBondContact NH1-OD2 3.01Å; R1017-D1097 IonicContact NH2-OD1 2.64Å; R1017-D1097 PolarHBondContact NH2-OD1 2.91Å; R1017-L1100 PolarHBondContact NH2-O 2.91Å; R1017-L1101 VanDerWaalsContact NH2-CD2 3.31Å; R1017-L1101 VanDerWaalsContact NH2-CG 3.33Å; R1017-F1107 VanDerWaalsContact NH2-CB 3.29Å; R1017-F1107 PolarHBondContact NH2-O 3.45Å; R1017-N1110 VanDerWaalsContact CZ-O 3.27Å; R1017-N1110 PolarHBondContact NE-O 3.49Å; R1017-N1110 VanDerWaalsContact NE-O 3.08Å; R1017-W1111 HydrophobicContact CG-CB 4.32Å; R1017-W1111 HydrophobicContact CG-CD2 4.45Å; R1017-W1111 HydrophobicContact CG-CG 3.77Å; R1017-N1114 VanDerWaalsContact NH1-CG 3.27Å; R1017-N1114 PolarHBondContact NH1-OD1 3.47Å; R1017-F1115 HydrophobicContact CG-CE2 4.44Å |
| 1018 | V | 59 | Low | 56.7 | Low | 66.8 Ų | 66.8 | 51.6 Ų | 51.6 | 41% | 0.405 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77.6 | -40 | 168.4 | -174.8 | 0 | 0 | 0 | 0 | 113.9 | G1014 E1015 L1016 L1020 L1021 N1022 H1094 N1095 I1096 D1097 | G1014-V1018 WeakPolarHBondContact O-CG2 3.37Å; G1014-V1018 PolarHBondContact O-N 3.16Å; E1015-V1018 CarbonylContact O-C 3.28Å; E1015-V1018 PolarHBondContact O-N 3.16Å; L1016-V1018 VanDerWaalsContact C-N 3.33Å; L1016-V1018 PolarHBondContact O-N 3.44Å; V1018-L1020 PolarHBondContact O-N 3.14Å; V1018-L1021 HydrophobicContact CG1-CB 4.18Å; V1018-L1021 HydrophobicContact CG1-CD2 3.57Å; V1018-L1021 CarbonylContact O-C 3.13Å; V1018-L1021 WeakPolarHBondContact O-CA 3.34Å; V1018-L1021 VanDerWaalsContact O-CB 3.24Å; V1018-L1021 WeakPolarHBondContact O-CB 3.15Å; V1018-L1021 PolarHBondContact O-N 3.08Å; V1018-N1022 WeakPolarHBondContact O-CA 3.35Å; V1018-N1022 VanDerWaalsContact O-CB 3.27Å; V1018-N1022 WeakPolarHBondContact O-CB 3.33Å; V1018-N1022 VanDerWaalsContact O-CG 3.27Å; V1018-N1022 PolarHBondContact O-N 3.23Å; V1018-N1022 PolarHBondContact O-ND2 2.83Å; V1018-N1022 PolarHBondContact O-OD1 3.36Å; V1018-H1094 CarbonylContact C-O 3.32Å; V1018-H1094 WeakPolarHBondContact CB-O 3.13Å; V1018-H1094 HydrophobicContact CG1-CB 3.89Å; V1018-H1094 WeakPolarHBondContact CG1-ND1 3.43Å; V1018-H1094 WeakPolarHBondContact CG1-O 3.41Å; V1018-N1095 VanDerWaalsContact C-CA 3.42Å; V1018-I1096 HydrophobicContact CG2-CB 3.66Å; V1018-I1096 HydrophobicContact CG2-CG2 3.74Å; V1018-D1097 VanDerWaalsContact C-N 3.31Å; V1018-D1097 WeakPolarHBondContact CA-OD2 3.04Å; V1018-D1097 PolarHBondContact N-OD2 2.99Å |
| 1019 | Y | 61.4 | Low | 55.3 | Low | 91.6 Ų | 91.6 | 52.9 Ų | 52.9 | 36% | 0.359 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 173.6 | -140.9 | -64.7 | 0 | 0 | 0 | 113.7 | N989 L1005 V1007 L1011 E1015 L1016 R1017 N1022 F1023 N1095 I1096 D1097 N1098 N1466 L1467 F1468 | N989-Y1019 WeakPolarHBondContact OD1-CD1 3.29Å; N989-Y1019 WeakPolarHBondContact OD1-CD2 3.22Å; N989-Y1019 WeakPolarHBondContact OD1-CE1 3.5Å; N989-Y1019 WeakPolarHBondContact OD1-CE2 3.4Å; N989-Y1019 VanDerWaalsContact OD1-CG 3.26Å; L1005-Y1019 HydrophobicContact CD1-CD1 4.16Å; L1005-Y1019 HydrophobicContact CD1-CE1 3.81Å; L1005-Y1019 HydrophobicContact CD2-CD1 3.85Å; L1005-Y1019 HydrophobicContact CD2-CE1 3.64Å; L1005-Y1019 VanDerWaalsContact CD2-CE1 3.44Å; V1007-Y1019 HydrophobicContact CG1-CE2 4.35Å; V1007-Y1019 WeakPolarHBondContact CG1-OH 3.41Å; V1007-Y1019 HydrophobicContact CG2-CE1 3.94Å; V1007-Y1019 VanDerWaalsContact CG2-CZ 3.47Å; V1007-Y1019 WeakPolarHBondContact CG2-OH 3.13Å; L1011-Y1019 HydrophobicContact CD1-CD2 4.14Å; L1011-Y1019 HydrophobicContact CD1-CE2 3.82Å; L1011-Y1019 HydrophobicContact CD2-CD2 4.49Å; L1011-Y1019 HydrophobicContact CD2-CE1 4.33Å; L1011-Y1019 WeakPolarHBondContact CD2-OH 3.43Å; E1015-Y1019 HydrophobicContact CB-CD2 4.5Å; E1015-Y1019 HydrophobicContact CB-CE2 4.44Å; E1015-Y1019 WeakPolarHBondContact O-CB 3.24Å; E1015-Y1019 WeakPolarHBondContact O-CD2 3.05Å; E1015-Y1019 PolarHBondContact O-N 3.14Å; L1016-Y1019 VanDerWaalsContact O-CB 3.3Å; L1016-Y1019 WeakPolarHBondContact O-CB 3.31Å; L1016-Y1019 PolarHBondContact O-N 3.13Å; L1016-Y1019 VanDerWaalsContact O-N 3.12Å; R1017-Y1019 VanDerWaalsContact C-N 3.27Å; R1017-Y1019 PolarHBondContact O-N 3.09Å; Y1019-N1022 PolarHBondContact O-N 2.98Å; Y1019-F1023 WeakPolarHBondContact O-CB 3.23Å; Y1019-F1023 PolarHBondContact O-N 3.04Å; Y1019-N1095 WeakPolarHBondContact CA-OD1 3.27Å; Y1019-N1095 WeakPolarHBondContact CB-OD1 3.44Å; Y1019-N1095 HydrophobicContact CD2-CB 3.95Å; Y1019-I1096 HydrophobicContact CE2-CB 4.46Å; Y1019-I1096 HydrophobicContact CE2-CG1 3.91Å; Y1019-D1097 VanDerWaalsContact C-CA 3.41Å; Y1019-D1097 CarbonylContact C-O 3.37Å; Y1019-D1097 VanDerWaalsContact CA-CA 3.48Å; Y1019-D1097 WeakPolarHBondContact CD1-O 3.5Å; Y1019-D1097 PolarHBondContact N-OD2 3.33Å; Y1019-D1097 VanDerWaalsContact N-OD2 3.17Å; Y1019-N1098 HydrophobicContact CD1-CB 3.56Å; Y1019-N1098 VanDerWaalsContact CE1-CA 3.5Å; Y1019-N1098 HydrophobicContact CE1-CB 3.45Å; Y1019-N1098 VanDerWaalsContact CE1-CB 3.45Å; Y1019-N1466 WeakPolarHBondContact CE1-O 3.47Å; Y1019-L1467 HydrophobicContact CD1-CB 2.9Å; Y1019-L1467 HydrophobicContact CD1-CG 4.41Å; Y1019-L1467 WeakPolarHBondContact CD1-O 3.3Å; Y1019-L1467 HydrophobicContact CD2-CB 4.45Å; Y1019-L1467 WeakPolarHBondContact CD2-O 3.47Å; Y1019-L1467 HydrophobicContact CE1-CB 3.67Å; Y1019-L1467 WeakPolarHBondContact CE1-O 3.32Å; Y1019-L1467 WeakPolarHBondContact CE2-O 3.3Å; Y1019-L1467 VanDerWaalsContact CG-CA 3.5Å; Y1019-L1467 HydrophobicContact CG-CB 3.44Å; Y1019-L1467 VanDerWaalsContact CG-CB 3.44Å; Y1019-L1467 PolarHBondContact OH-O 2.88Å; Y1019-F1468 HydrophobicContact CD2-CB 3.31Å; Y1019-F1468 VanDerWaalsContact CD2-O 3.23Å; Y1019-F1468 WeakPolarHBondContact CD2-O 3.37Å; Y1019-F1468 HydrophobicContact CE2-CB 4.47Å; Y1019-F1468 WeakPolarHBondContact CE2-O 3.49Å; Y1019-F1468 HydrophobicContact CG-CB 3.59Å |
| 1020 | L | 64.3 | Low | 54.2 | Low | 13 Ų | 13 | 56.1 Ų | 56.1 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -76.6 | -42.8 | 169.9 | -73.7 | 157.2 | 0 | 0 | 0 | 111 | V962 D988 L1005 L1016 R1017 V1018 N1022 F1023 C1024 L1075 L1077 D1097 N1098 L1101 W1111 L1133 | V962-L1020 HydrophobicContact CB-CD2 4.22Å; V962-L1020 HydrophobicContact CG1-CD1 3.84Å; V962-L1020 HydrophobicContact CG1-CD2 3.89Å; V962-L1020 HydrophobicContact CG2-CD1 4.25Å; V962-L1020 HydrophobicContact CG2-CD2 3.89Å; D988-L1020 HydrophobicContact CB-CD1 4.38Å; D988-L1020 HydrophobicContact CB-CD2 3.84Å; D988-L1020 HydrophobicContact CB-CG 3.75Å; L1005-L1020 HydrophobicContact CD1-CD2 3.8Å; L1005-L1020 HydrophobicContact CD1-CG 4.08Å; L1016-L1020 HydrophobicContact CD1-CD1 4.23Å; L1016-L1020 HydrophobicContact CD1-CG 4.02Å; L1016-L1020 HydrophobicContact CD2-CD1 4.38Å; L1016-L1020 HydrophobicContact CG-CD1 4.22Å; L1016-L1020 HydrophobicContact CG-CG 4.42Å; L1016-L1020 WeakPolarHBondContact O-CB 3.39Å; L1016-L1020 WeakPolarHBondContact O-CD1 3.36Å; L1016-L1020 WeakPolarHBondContact O-CG 3.42Å; L1016-L1020 PolarHBondContact O-N 3.22Å; L1016-L1020 VanDerWaalsContact O-N 3.07Å; R1017-L1020 PolarHBondContact O-N 3.11Å; V1018-L1020 PolarHBondContact O-N 3.14Å; L1020-N1022 PolarHBondContact O-N 3.1Å; L1020-F1023 CarbonylContact O-C 3.39Å; L1020-F1023 WeakPolarHBondContact O-CA 3.45Å; L1020-F1023 WeakPolarHBondContact O-CB 3.33Å; L1020-F1023 PolarHBondContact O-N 3.2Å; L1020-C1024 WeakPolarHBondContact O-CA 3.37Å; L1020-C1024 WeakPolarHBondContact O-CB 3.5Å; L1020-C1024 PolarHBondContact O-N 3.08Å; L1020-C1024 PolarHBondContact O-SG 3.17Å; L1020-C1024 VanDerWaalsContact O-SG 3.37Å; L1020-L1075 HydrophobicContact CB-CD2 3.37Å; L1020-L1075 HydrophobicContact CD1-CD2 4.23Å; L1020-L1075 HydrophobicContact CG-CD2 4.47Å; L1020-L1077 HydrophobicContact CD1-CD2 3.72Å; L1020-D1097 WeakPolarHBondContact CA-OD2 2.99Å; L1020-D1097 HydrophobicContact CB-CB 3.79Å; L1020-D1097 HydrophobicContact CD1-CB 4.28Å; L1020-D1097 HydrophobicContact CG-CB 3.92Å; L1020-D1097 VanDerWaalsContact N-CA 3.26Å; L1020-D1097 PolarHBondContact N-O 3.34Å; L1020-D1097 VanDerWaalsContact N-O 3.16Å; L1020-D1097 PolarHBondContact N-OD2 2.87Å; L1020-N1098 WeakPolarHBondContact CD2-ND2 3.19Å; L1020-N1098 WeakPolarHBondContact CG-ND2 3.27Å; L1020-L1101 HydrophobicContact CD1-CD1 4.1Å; L1020-W1111 HydrophobicContact CD1-CE3 4.27Å; L1020-W1111 HydrophobicContact CD1-CH2 3.14Å; L1020-W1111 HydrophobicContact CD1-CZ2 3.57Å; L1020-W1111 HydrophobicContact CD1-CZ3 3.58Å; L1020-W1111 HydrophobicContact CD2-CE3 3.82Å; L1020-W1111 HydrophobicContact CD2-CH2 3.61Å; L1020-W1111 HydrophobicContact CD2-CZ3 3.11Å; L1020-W1111 HydrophobicContact CG-CE3 4.5Å; L1020-W1111 HydrophobicContact CG-CH2 3.95Å; L1020-W1111 HydrophobicContact CG-CZ3 3.87Å; L1020-L1133 HydrophobicContact CD2-CD1 4.32Å; L1020-L1133 HydrophobicContact CD2-CD2 4.09Å |
| 1021 | L | 58.3 | Low | 52.8 | Low | 51.8 Ų | 51.8 | 56.5 Ų | 56.5 | 27% | 0.271 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 176.3 | -162.4 | 88.5 | 0 | 0 | 0 | 111.5 | R1017 V1018 F1023 C1024 L1025 L1075 L1077 D1097 F1115 H1130 L1137 | R1017-L1021 VanDerWaalsContact O-CB 3.26Å; R1017-L1021 WeakPolarHBondContact O-CB 3.45Å; R1017-L1021 PolarHBondContact O-N 3Å; V1018-L1021 HydrophobicContact CG1-CB 4.18Å; V1018-L1021 HydrophobicContact CG1-CD2 3.57Å; V1018-L1021 CarbonylContact O-C 3.13Å; V1018-L1021 WeakPolarHBondContact O-CA 3.34Å; V1018-L1021 VanDerWaalsContact O-CB 3.24Å; V1018-L1021 WeakPolarHBondContact O-CB 3.15Å; V1018-L1021 PolarHBondContact O-N 3.08Å; L1021-F1023 VanDerWaalsContact C-N 3.32Å; L1021-F1023 PolarHBondContact O-N 3.14Å; L1021-C1024 WeakPolarHBondContact O-CB 3.37Å; L1021-C1024 PolarHBondContact O-N 3.27Å; L1021-L1025 HydrophobicContact CD1-CD1 4.06Å; L1021-L1025 HydrophobicContact CD1-CG 4.26Å; L1021-L1025 HydrophobicContact CD2-CD1 4.1Å; L1021-L1025 HydrophobicContact CD2-CG 4.26Å; L1021-L1025 HydrophobicContact CG-CD1 4.08Å; L1021-L1025 HydrophobicContact CG-CG 4.43Å; L1021-L1025 WeakPolarHBondContact O-CB 3.37Å; L1021-L1025 VanDerWaalsContact O-CG 3.26Å; L1021-L1025 WeakPolarHBondContact O-CG 3.35Å; L1021-L1025 PolarHBondContact O-N 3.06Å; L1021-L1075 HydrophobicContact CB-CB 4.5Å; L1021-L1077 HydrophobicContact CD1-CD2 4.32Å; L1021-D1097 VanDerWaalsContact CB-OD2 3.3Å; L1021-D1097 WeakPolarHBondContact CB-OD2 3.2Å; L1021-D1097 PolarHBondContact N-OD2 3.39Å; L1021-F1115 HydrophobicContact CB-CD2 3.9Å; L1021-F1115 HydrophobicContact CB-CE2 3.93Å; L1021-F1115 HydrophobicContact CD1-CB 4Å; L1021-F1115 HydrophobicContact CD1-CD1 4.25Å; L1021-F1115 HydrophobicContact CD1-CD2 3.74Å; L1021-F1115 HydrophobicContact CD1-CE2 4.33Å; L1021-F1115 HydrophobicContact CD1-CG 3.69Å; L1021-F1115 HydrophobicContact CD1-CZ 4.2Å; L1021-F1115 HydrophobicContact CG-CD1 4.49Å; L1021-F1115 HydrophobicContact CG-CD2 3.76Å; L1021-F1115 HydrophobicContact CG-CE2 3.85Å; L1021-F1115 HydrophobicContact CG-CG 4.11Å; L1021-F1115 HydrophobicContact CG-CZ 4.23Å; L1021-H1130 WeakPolarHBondContact CD1-CE1 2.98Å; L1021-L1137 HydrophobicContact CD1-CD1 3.6Å |
| 1022 | N | 55.5 | Low | 51.2 | Low | 62.6 Ų | 62.6 | 60.7 Ų | 60.7 | 34% | 0.335 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.5 | -30.4 | 175 | -88.3 | -17.1 | 0 | 0 | 0 | 112.2 | V1018 Y1019 L1020 L1025 H1026 H1094 N1095 Q1470 | V1018-N1022 WeakPolarHBondContact O-CA 3.35Å; V1018-N1022 VanDerWaalsContact O-CB 3.27Å; V1018-N1022 WeakPolarHBondContact O-CB 3.33Å; V1018-N1022 VanDerWaalsContact O-CG 3.27Å; V1018-N1022 PolarHBondContact O-N 3.23Å; V1018-N1022 PolarHBondContact O-ND2 2.83Å; V1018-N1022 PolarHBondContact O-OD1 3.36Å; Y1019-N1022 PolarHBondContact O-N 2.98Å; L1020-N1022 PolarHBondContact O-N 3.1Å; N1022-L1025 HydrophobicContact CB-CB 4.2Å; N1022-L1025 HydrophobicContact CB-CD1 3.99Å; N1022-L1025 HydrophobicContact CB-CG 4.41Å; N1022-L1025 CarbonylContact O-C 3.5Å; N1022-L1025 VanDerWaalsContact O-CA 3.23Å; N1022-L1025 WeakPolarHBondContact O-CA 3.09Å; N1022-L1025 WeakPolarHBondContact O-CB 3.31Å; N1022-L1025 PolarHBondContact O-N 3.19Å; N1022-H1026 PolarHBondContact ND2-CE1 3.49Å; N1022-H1026 VanDerWaalsContact ND2-CE1 3.32Å; N1022-H1026 PolarHBondContact ND2-ND1 3.01Å; N1022-H1026 VanDerWaalsContact O-CB 3.29Å; N1022-H1026 WeakPolarHBondContact O-CB 3.34Å; N1022-H1026 PolarHBondContact O-CD2 2.95Å; N1022-H1026 PolarHBondContact O-N 3Å; N1022-H1094 WeakPolarHBondContact CB-O 3.49Å; N1022-H1094 VanDerWaalsContact CG-C 3.46Å; N1022-H1094 WeakPolarHBondContact OD1-CA 3.19Å; N1022-H1094 PolarHBondContact OD1-N 3.43Å; N1022-H1094 PolarHBondContact OD1-O 3.47Å; N1022-H1094 VanDerWaalsContact OD1-O 3.13Å; N1022-N1095 HydrophobicContact CB-CB 4.45Å; N1022-N1095 WeakPolarHBondContact CB-OD1 3.45Å; N1022-N1095 WeakPolarHBondContact OD1-CB 3.43Å; N1022-N1095 PolarHBondContact OD1-N 3.35Å; N1022-N1095 VanDerWaalsContact OD1-N 3.09Å; N1022-N1095 PolarHBondContact OD1-ND2 2.94Å; N1022-N1095 PolarHBondContact OD1-OD1 2.93Å; N1022-Q1470 PolarHBondContact ND2-OE1 3.07Å; N1022-Q1470 PolarHBondContact OD1-OE1 2.92Å |
| 1023 | F | 57 | Low | 49.8 | Very low | 37.6 Ų | 37.6 | 65.9 Ų | 65.9 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 171.7 | -168.1 | -96.2 | 0 | 0 | 0 | 112.3 | F971 D988 K991 I993 I1003 T1004 L1005 Y1019 L1020 L1021 L1025 H1026 G1027 L1467 | F971-F1023 HydrophobicContact CE2-CE1 4.39Å; F971-F1023 HydrophobicContact CE2-CZ 4.14Å; F971-F1023 HydrophobicContact CZ-CE1 4.17Å; F971-F1023 HydrophobicContact CZ-CE2 4.35Å; F971-F1023 AromaticContact CZ-CZ 3.67Å; F971-F1023 HydrophobicContact CZ-CZ 3.67Å; D988-F1023 WeakPolarHBondContact OD2-CD1 3.39Å; D988-F1023 WeakPolarHBondContact OD2-CD2 3.35Å; D988-F1023 VanDerWaalsContact OD2-CG 3.29Å; D988-F1023 WeakPolarHBondContact OD2-CG 3.38Å; K991-F1023 HydrophobicContact CB-CE2 4.04Å; K991-F1023 HydrophobicContact CD-CD2 3.67Å; K991-F1023 HydrophobicContact CD-CE2 3.53Å; K991-F1023 HydrophobicContact CD-CZ 4.47Å; K991-F1023 HydrophobicContact CG-CE2 4.23Å; K991-F1023 VanDerWaalsContact NZ-CD2 3.34Å; I993-F1023 HydrophobicContact CD1-CE2 4.45Å; I993-F1023 HydrophobicContact CD1-CZ 3.96Å; I993-F1023 HydrophobicContact CG1-CZ 3.99Å; I1003-F1023 HydrophobicContact CB-CD1 3.54Å; I1003-F1023 HydrophobicContact CB-CE1 3.88Å; I1003-F1023 HydrophobicContact CB-CZ 4.49Å; I1003-F1023 HydrophobicContact CD1-CD1 3.86Å; I1003-F1023 HydrophobicContact CD1-CE1 3.59Å; I1003-F1023 HydrophobicContact CD1-CE2 4.22Å; I1003-F1023 HydrophobicContact CD1-CG 4.25Å; I1003-F1023 HydrophobicContact CD1-CZ 3.97Å; I1003-F1023 HydrophobicContact CG1-CD1 4.38Å; I1003-F1023 HydrophobicContact CG1-CE1 3.87Å; I1003-F1023 HydrophobicContact CG1-CE2 3.99Å; I1003-F1023 HydrophobicContact CG1-CZ 3.93Å; I1003-F1023 HydrophobicContact CG2-CD1 3.89Å; I1003-F1023 VanDerWaalsContact CG2-CD1 3.5Å; I1003-F1023 HydrophobicContact CG2-CD2 4.11Å; I1003-F1023 HydrophobicContact CG2-CE1 3.46Å; I1003-F1023 HydrophobicContact CG2-CE2 4.07Å; I1003-F1023 HydrophobicContact CG2-CZ 4.11Å; T1004-F1023 WeakPolarHBondContact O-CE1 3.42Å; T1004-F1023 WeakPolarHBondContact O-CZ 3.43Å; L1005-F1023 HydrophobicContact CD2-CB 4.29Å; L1005-F1023 HydrophobicContact CD2-CD1 3.21Å; L1005-F1023 HydrophobicContact CD2-CD2 4.04Å; L1005-F1023 HydrophobicContact CD2-CE1 3.22Å; L1005-F1023 HydrophobicContact CD2-CE2 4.13Å; L1005-F1023 HydrophobicContact CD2-CG 3.6Å; L1005-F1023 HydrophobicContact CD2-CZ 3.74Å; L1005-F1023 HydrophobicContact CG-CD1 4.48Å; L1005-F1023 HydrophobicContact CG-CE1 4.37Å; Y1019-F1023 WeakPolarHBondContact O-CB 3.23Å; Y1019-F1023 PolarHBondContact O-N 3.04Å; L1020-F1023 CarbonylContact O-C 3.39Å; L1020-F1023 WeakPolarHBondContact O-CA 3.45Å; L1020-F1023 WeakPolarHBondContact O-CB 3.33Å; L1020-F1023 PolarHBondContact O-N 3.2Å; L1021-F1023 VanDerWaalsContact C-N 3.32Å; L1021-F1023 PolarHBondContact O-N 3.14Å; F1023-L1025 VanDerWaalsContact C-N 3.32Å; F1023-L1025 PolarHBondContact O-N 3.01Å; F1023-H1026 HydrophobicContact CD2-CB 3.63Å; F1023-H1026 HydrophobicContact CE2-CB 4.06Å; F1023-H1026 HydrophobicContact CG-CB 4.44Å; F1023-H1026 PolarHBondContact O-N 3.35Å; F1023-G1027 PolarHBondContact O-N 3.09Å; F1023-G1027 VanDerWaalsContact O-N 3.14Å; F1023-L1467 HydrophobicContact CD2-CD1 3.67Å; F1023-L1467 HydrophobicContact CE2-CD1 3.66Å; F1023-L1467 HydrophobicContact CG-CD1 4.3Å; F1023-L1467 HydrophobicContact CZ-CD1 4.22Å |
| 1024 | C | 53.8 | Low | 48.3 | Very low | 31.2 Ų | 31.2 | 68.3 Ų | 68.3 | 21% | 0.211 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 171.2 | -67.5 | 0 | 0 | 0 | 0 | 112.8 | L967 L1020 L1021 G1027 Y1028 F1115 L1131 L1133 L1137 | L967-C1024 HydrophobicContact CD1-CB 4.22Å; L1020-C1024 WeakPolarHBondContact O-CA 3.37Å; L1020-C1024 WeakPolarHBondContact O-CB 3.5Å; L1020-C1024 PolarHBondContact O-N 3.08Å; L1020-C1024 PolarHBondContact O-SG 3.17Å; L1020-C1024 VanDerWaalsContact O-SG 3.37Å; L1021-C1024 WeakPolarHBondContact O-CB 3.37Å; L1021-C1024 PolarHBondContact O-N 3.27Å; C1024-G1027 PolarHBondContact O-N 2.99Å; C1024-Y1028 WeakPolarHBondContact O-CD2 3.45Å; C1024-Y1028 PolarHBondContact O-N 3.35Å; C1024-F1115 HydrophobicContact CB-CE2 4.17Å; C1024-F1115 HydrophobicContact CB-CZ 4.02Å; C1024-L1131 HydrophobicContact CB-CB 3.53Å; C1024-L1131 HydrophobicContact CB-CD1 3.95Å; C1024-L1131 WeakPolarHBondContact O-CB 3.19Å; C1024-L1131 VanDerWaalsContact O-CD1 3.26Å; C1024-L1131 WeakPolarHBondContact O-CD1 3.39Å; C1024-L1131 PolarHBondContact SG-O 2.87Å; C1024-L1133 WeakPolarHBondContact SG-CD1 3.11Å; C1024-L1137 HydrophobicContact CB-CD1 4.39Å |
| 1025 | L | 45.6 | Very low | 46.8 | Very low | 69 Ų | 69 | 74.4 Ų | 74.4 | 36% | 0.361 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.6 | -29.3 | 177.6 | -67.8 | 172.2 | 0 | 0 | 0 | 112.6 | L1021 N1022 F1023 G1027 Y1028 T1029 I1068 Y1073 F1115 | L1021-L1025 HydrophobicContact CD1-CD1 4.06Å; L1021-L1025 HydrophobicContact CD1-CG 4.26Å; L1021-L1025 HydrophobicContact CD2-CD1 4.1Å; L1021-L1025 HydrophobicContact CD2-CG 4.26Å; L1021-L1025 HydrophobicContact CG-CD1 4.08Å; L1021-L1025 HydrophobicContact CG-CG 4.43Å; L1021-L1025 WeakPolarHBondContact O-CB 3.37Å; L1021-L1025 VanDerWaalsContact O-CG 3.26Å; L1021-L1025 WeakPolarHBondContact O-CG 3.35Å; L1021-L1025 PolarHBondContact O-N 3.06Å; N1022-L1025 HydrophobicContact CB-CB 4.2Å; N1022-L1025 HydrophobicContact CB-CD1 3.99Å; N1022-L1025 HydrophobicContact CB-CG 4.41Å; N1022-L1025 CarbonylContact O-C 3.5Å; N1022-L1025 VanDerWaalsContact O-CA 3.23Å; N1022-L1025 WeakPolarHBondContact O-CA 3.09Å; N1022-L1025 WeakPolarHBondContact O-CB 3.31Å; N1022-L1025 PolarHBondContact O-N 3.19Å; F1023-L1025 VanDerWaalsContact C-N 3.32Å; F1023-L1025 PolarHBondContact O-N 3.01Å; L1025-G1027 VanDerWaalsContact C-N 3.33Å; L1025-G1027 PolarHBondContact O-N 3.29Å; L1025-G1027 VanDerWaalsContact O-N 3.08Å; L1025-Y1028 WeakPolarHBondContact O-CB 3.34Å; L1025-Y1028 PolarHBondContact O-N 2.98Å; L1025-Y1028 VanDerWaalsContact O-N 3.12Å; L1025-T1029 PolarHBondContact O-N 3.07Å; L1025-I1068 HydrophobicContact CD2-CG2 4.48Å; L1025-Y1073 HydrophobicContact CD2-CD2 3.63Å; L1025-Y1073 HydrophobicContact CD2-CE2 3.93Å; L1025-F1115 HydrophobicContact CD2-CE1 4.34Å; L1025-F1115 HydrophobicContact CD2-CZ 4.44Å; L1025-F1115 HydrophobicContact CG-CZ 4.49Å |
| 1026 | H | 46.9 | Very low | 45.4 | Very low | 111.6 Ų | 111.6 | 78.6 Ų | 78.6 | 52% | 0.517 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -76.6 | -33 | 177.7 | -87 | -39.7 | 0 | 0 | 0 | 113.7 | K991 N1022 F1023 Y1028 T1029 S1030 F1468 | K991-H1026 HydrophobicContact CD-CB 4.33Å; K991-H1026 WeakPolarHBondContact CD-O 3.36Å; K991-H1026 VanDerWaalsContact CE-O 3.31Å; K991-H1026 WeakPolarHBondContact CE-O 3.47Å; K991-H1026 HydrophobicContact CG-CB 4.14Å; K991-H1026 WeakPolarHBondContact CG-O 3.43Å; K991-H1026 VanDerWaalsContact NZ-CG 3.3Å; K991-H1026 PolarHBondContact NZ-ND1 2.88Å; K991-H1026 PolarHBondContact NZ-O 2.97Å; N1022-H1026 PolarHBondContact ND2-CE1 3.49Å; N1022-H1026 VanDerWaalsContact ND2-CE1 3.32Å; N1022-H1026 PolarHBondContact ND2-ND1 3.01Å; N1022-H1026 VanDerWaalsContact O-CB 3.29Å; N1022-H1026 WeakPolarHBondContact O-CB 3.34Å; N1022-H1026 PolarHBondContact O-CD2 2.95Å; N1022-H1026 PolarHBondContact O-N 3Å; F1023-H1026 HydrophobicContact CD2-CB 3.63Å; F1023-H1026 HydrophobicContact CE2-CB 4.06Å; F1023-H1026 HydrophobicContact CG-CB 4.44Å; F1023-H1026 PolarHBondContact O-N 3.35Å; H1026-Y1028 VanDerWaalsContact C-N 3.31Å; H1026-Y1028 PolarHBondContact O-N 3.11Å; H1026-T1029 WeakPolarHBondContact CA-OG1 3.36Å; H1026-T1029 PolarHBondContact O-N 3.29Å; H1026-T1029 VanDerWaalsContact O-N 3.1Å; H1026-T1029 PolarHBondContact O-OG1 3.05Å; H1026-T1029 VanDerWaalsContact O-OG1 3.06Å; H1026-S1030 PolarHBondContact O-N 3.14Å; H1026-F1468 AromaticContact CD2-CD1 3.9Å; H1026-F1468 AromaticContact CD2-CE1 3.68Å; H1026-F1468 AromaticContact NE2-CE1 3.83Å |
| 1027 | G | 44.4 | Very low | 43.6 | Very low | 22.4 Ų | 22.4 | 85.9 Ų | 85.9 | 23% | 0.231 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.8 | -25.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | L970 I993 F1023 C1024 L1025 S1030 S1031 | L970-G1027 VanDerWaalsContact CB-O 3.28Å; L970-G1027 WeakPolarHBondContact CB-O 3.26Å; L970-G1027 WeakPolarHBondContact CD1-O 3.42Å; I993-G1027 WeakPolarHBondContact CD1-O 3.2Å; I993-G1027 VanDerWaalsContact CG1-C 3.47Å; F1023-G1027 PolarHBondContact O-N 3.09Å; F1023-G1027 VanDerWaalsContact O-N 3.14Å; C1024-G1027 PolarHBondContact O-N 2.99Å; L1025-G1027 VanDerWaalsContact C-N 3.33Å; L1025-G1027 PolarHBondContact O-N 3.29Å; L1025-G1027 VanDerWaalsContact O-N 3.08Å; G1027-S1030 PolarHBondContact O-N 3.34Å; G1027-S1031 PolarHBondContact O-N 3.03Å |
| 1028 | Y | 35.1 | Very low | 42.1 | Very low | 125 Ų | 125 | 86.4 Ų | 86.4 | 49% | 0.49 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -93 | -27.2 | 178.4 | -117.2 | -91.7 | 0 | 0 | 0 | 114.4 | P968 L970 C1024 L1025 H1026 S1030 S1031 N1032 S1127 F1128 V1129 | P968-Y1028 HydrophobicContact CG-CE2 4.42Å; L970-Y1028 HydrophobicContact CD2-CD1 4.24Å; L970-Y1028 HydrophobicContact CD2-CD2 3.79Å; L970-Y1028 HydrophobicContact CD2-CE1 3.88Å; L970-Y1028 HydrophobicContact CD2-CE2 3.68Å; L970-Y1028 HydrophobicContact CD2-CG 4.2Å; C1024-Y1028 WeakPolarHBondContact O-CD2 3.45Å; C1024-Y1028 PolarHBondContact O-N 3.35Å; L1025-Y1028 WeakPolarHBondContact O-CB 3.34Å; L1025-Y1028 PolarHBondContact O-N 2.98Å; L1025-Y1028 VanDerWaalsContact O-N 3.12Å; H1026-Y1028 VanDerWaalsContact C-N 3.31Å; H1026-Y1028 PolarHBondContact O-N 3.11Å; Y1028-S1030 VanDerWaalsContact C-N 3.3Å; Y1028-S1030 PolarHBondContact O-N 3.28Å; Y1028-S1031 WeakPolarHBondContact O-CB 3.3Å; Y1028-S1031 PolarHBondContact O-N 3.16Å; Y1028-S1031 VanDerWaalsContact O-N 3.14Å; Y1028-S1031 PolarHBondContact O-OG 3.46Å; Y1028-N1032 PolarHBondContact O-N 3.45Å; Y1028-S1127 WeakPolarHBondContact CD1-O 3.37Å; Y1028-S1127 WeakPolarHBondContact CE1-O 3.42Å; Y1028-F1128 VanDerWaalsContact CE1-O 3.3Å; Y1028-F1128 WeakPolarHBondContact CE1-O 3.45Å; Y1028-F1128 PolarHBondContact OH-O 2.8Å; Y1028-V1129 HydrophobicContact CD1-CG2 4.03Å; Y1028-V1129 HydrophobicContact CD2-CG2 3.32Å; Y1028-V1129 HydrophobicContact CE1-CG2 3.92Å; Y1028-V1129 HydrophobicContact CE2-CG2 3.23Å; Y1028-V1129 HydrophobicContact CG-CG2 3.74Å |
| 1029 | T | 34.9 | Very low | 40.6 | Very low | 76.2 Ų | 76.2 | 89.9 Ų | 89.9 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -76.1 | -23.9 | -176.4 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | K991 Q992 I993 L1025 H1026 S1031 | K991-T1029 HydrophobicContact CB-CG2 4.08Å; K991-T1029 WeakPolarHBondContact CB-OG1 3.34Å; K991-T1029 PolarHBondContact O-OG1 2.86Å; Q992-T1029 WeakPolarHBondContact CA-OG1 3.38Å; Q992-T1029 PolarHBondContact N-OG1 3.3Å; I993-T1029 CarbonylContact C-O 3.05Å; I993-T1029 WeakPolarHBondContact CA-O 3.13Å; I993-T1029 WeakPolarHBondContact CB-O 3.36Å; I993-T1029 WeakPolarHBondContact CG2-O 3.33Å; I993-T1029 PolarHBondContact N-O 3.48Å; I993-T1029 VanDerWaalsContact O-O 3.09Å; L1025-T1029 PolarHBondContact O-N 3.07Å; H1026-T1029 WeakPolarHBondContact CA-OG1 3.36Å; H1026-T1029 PolarHBondContact O-N 3.29Å; H1026-T1029 VanDerWaalsContact O-N 3.1Å; H1026-T1029 PolarHBondContact O-OG1 3.05Å; H1026-T1029 VanDerWaalsContact O-OG1 3.06Å; T1029-S1031 VanDerWaalsContact C-N 3.31Å; T1029-S1031 PolarHBondContact O-N 3.34Å |
| 1030 | S | 33.7 | Very low | 39 | Very low | 86.4 Ų | 86.4 | 92.6 Ų | 92.6 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 2.8 | -177.1 | -114.7 | 0 | 0 | 0 | 0 | 114.6 | I993 H1026 G1027 Y1028 N1032 | I993-S1030 CarbonylContact O-C 3.38Å; I993-S1030 WeakPolarHBondContact O-CA 3.34Å; H1026-S1030 PolarHBondContact O-N 3.14Å; G1027-S1030 PolarHBondContact O-N 3.34Å; Y1028-S1030 VanDerWaalsContact C-N 3.3Å; Y1028-S1030 PolarHBondContact O-N 3.28Å; S1030-N1032 VanDerWaalsContact C-N 3.33Å; S1030-N1032 PolarHBondContact O-N 3.01Å |
| 1031 | S | 29.6 | Very low | 37.3 | Very low | 55.8 Ų | 55.8 | 98.1 Ų | 98.1 | 39% | 0.39 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -107.2 | -7.9 | 177.9 | 177 | 0 | 0 | 0 | 0 | 114.1 | Q992 I993 Y994 G1027 Y1028 T1029 N1033 S1034 | Q992-S1031 VanDerWaalsContact CD-OG 3.27Å; Q992-S1031 PolarHBondContact OE1-OG 3.46Å; I993-S1031 PolarHBondContact O-N 3.43Å; Y994-S1031 VanDerWaalsContact CD2-C 3.46Å; Y994-S1031 VanDerWaalsContact CD2-N 3.33Å; Y994-S1031 WeakPolarHBondContact CD2-O 3.25Å; G1027-S1031 PolarHBondContact O-N 3.03Å; Y1028-S1031 WeakPolarHBondContact O-CB 3.3Å; Y1028-S1031 PolarHBondContact O-N 3.16Å; Y1028-S1031 VanDerWaalsContact O-N 3.14Å; Y1028-S1031 PolarHBondContact O-OG 3.46Å; T1029-S1031 VanDerWaalsContact C-N 3.31Å; T1029-S1031 PolarHBondContact O-N 3.34Å; S1031-N1033 VanDerWaalsContact C-N 3.31Å; S1031-N1033 PolarHBondContact O-N 3.1Å; S1031-S1034 PolarHBondContact O-N 3.4Å; S1031-S1034 PolarHBondContact O-OG 2.85Å |
| 1032 | N | 28.5 | Very low | 35.7 | Very low | 120.6 Ų | 120.6 | 99.6 Ų | 99.6 | 65% | 0.645 | 59% | 0.593 | S | S | * | * | trans | -104.7 | 32.4 | -173.8 | -85.8 | 4 | 0 | 0 | 0 | 114.4 | Y994 Y1028 S1030 S1034 | Y994-N1032 HydrophobicContact CD2-CB 3.59Å; Y994-N1032 HydrophobicContact CE2-CB 3.75Å; Y994-N1032 HydrophobicContact CG-CB 4.29Å; Y1028-N1032 PolarHBondContact O-N 3.45Å; S1030-N1032 VanDerWaalsContact C-N 3.33Å; S1030-N1032 PolarHBondContact O-N 3.01Å; N1032-S1034 PolarHBondContact O-N 3.24Å | ||
| 1033 | N | 30.4 | Very low | 34.3 | Very low | 152.6 Ų | 152.6 | 100.4 Ų | 100.4 | 82% | 0.816 | 62% | 0.617 | S | S | * | * | trans | -114.8 | 47.3 | -177 | -84.7 | -8.6 | 0 | 0 | 0 | 115.7 | S1031 N1035 | S1031-N1033 VanDerWaalsContact C-N 3.31Å; S1031-N1033 PolarHBondContact O-N 3.1Å; N1033-N1035 VanDerWaalsContact C-N 3.32Å; N1033-N1035 PolarHBondContact O-N 2.93Å; N1033-N1035 VanDerWaalsContact O-N 3.1Å | ||
| 1034 | S | 28.7 | Very low | 32.8 | Very low | 98.6 Ų | 98.6 | 109.8 Ų | 109.8 | 69% | 0.69 | 65% | 0.651 | S | S | * | * | trans | -129.1 | 66.6 | 169.3 | 44.3 | 0 | 0 | 0 | 0 | 115.5 | S1031 N1032 | S1031-S1034 PolarHBondContact O-N 3.4Å; S1031-S1034 PolarHBondContact O-OG 2.85Å; N1032-S1034 PolarHBondContact O-N 3.24Å | ||
| 1035 | N | 29.6 | Very low | 31.5 | Very low | 155.4 Ų | 155.4 | 114.4 Ų | 114.4 | 83% | 0.831 | 68% | 0.678 | S | S | * | * | trans | -153.5 | 74.8 | 159.8 | -100.6 | -5.8 | 0 | 0 | 0 | 115 | N1033 N1037 | N1033-N1035 VanDerWaalsContact C-N 3.32Å; N1033-N1035 PolarHBondContact O-N 2.93Å; N1033-N1035 VanDerWaalsContact O-N 3.1Å; N1035-N1037 PolarHBondContact O-N 3.41Å | ||
| 1036 | D | 30 | Very low | 30.6 | Very low | 150.6 Ų | 150.6 | 116.6 Ų | 116.6 | 81% | 0.805 | 69% | 0.694 | S | S | * | * | trans | -125.6 | 105.3 | 159.8 | -99.2 | -35.9 | 0 | 0 | 0 | 115 | G1038 | D1036-G1038 PolarHBondContact O-N 3.48Š| ||
| 1037 | N | 29.3 | Very low | 29.6 | Very low | 161.2 Ų | 161.2 | 116.9 Ų | 116.9 | 86% | 0.862 | 71% | 0.709 | S | S | * | * | trans | -99.2 | 107.6 | 158.4 | -88.3 | -50.6 | 0 | 0 | 0 | 113.7 | N1035 N1039 | N1035-N1037 PolarHBondContact O-N 3.41Å; N1037-N1039 PolarHBondContact O-N 3.09Å | ||
| 1038 | G | 27.7 | Very low | 28.7 | Very low | 74.2 Ų | 74.2 | 119.7 Ų | 119.7 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | -131.4 | 123 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1036 | D1036-G1038 PolarHBondContact O-N 3.48Š| ||
| 1039 | N | 28.4 | Very low | 28.2 | Very low | 140.2 Ų | 140.2 | 117 Ų | 117 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | trans | -122.8 | 118.4 | 160.1 | -116.7 | -16 | 0 | 0 | 0 | 116.5 | N1037 C1041 I1057 | N1037-N1039 PolarHBondContact O-N 3.09Å; N1039-C1041 PolarHBondContact O-N 3.16Å; N1039-I1057 VanDerWaalsContact ND2-CG1 3.25Å; N1039-I1057 WeakPolarHBondContact ND2-CG1 3.45Å | ||
| 1040 | N | 27.8 | Very low | 27.8 | Very low | 148 Ų | 148 | 119 Ų | 119 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 78 | 122.5 | 137.7 | -85.3 | -32.6 | 0 | 0 | 0 | 118.8 | ||||
| 1041 | C | 27.2 | Very low | 27.4 | Very low | 128.8 Ų | 128.8 | 119.9 Ų | 119.9 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | trans | 155.9 | 132.2 | 160.3 | -72.4 | 0 | 0 | 0 | 0 | 113.4 | N1039 G1043 | N1039-C1041 PolarHBondContact O-N 3.16Å; C1041-G1043 PolarHBondContact O-N 2.99Å | ||
| 1042 | G | 25.6 | Very low | 27.2 | Very low | 83.6 Ų | 83.6 | 122.4 Ų | 122.4 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | cis | 159.6 | 95.8 | 27.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1043 | G | 26.8 | Very low | 27.1 | Very low | 80 Ų | 80 | 121.7 Ų | 121.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -134.4 | 126.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1041 V1045 | C1041-G1043 PolarHBondContact O-N 2.99Å; G1043-V1045 PolarHBondContact O-N 3.44Å | ||
| 1044 | R | 24.1 | Very low | 26.8 | Very low | 234.6 Ų | 234.6 | 120 Ų | 120 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -124.7 | 123.2 | 158.4 | -176 | -175.3 | 178.5 | -173.2 | 0.6 | 111.4 | ||||
| 1045 | V | 27 | Very low | 26.7 | Very low | 127.8 Ų | 127.8 | 120.7 Ų | 120.7 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | 138.8 | 119.6 | 151.9 | -174.5 | 0 | 0 | 0 | 0 | 113.4 | G1043 | G1043-V1045 PolarHBondContact O-N 3.44Š| ||
| 1046 | T | 26.2 | Very low | 26.4 | Very low | 114.8 Ų | 114.8 | 116.7 Ų | 116.7 | 70% | 0.704 | 79% | 0.794 | S | S | * | * | 159.4 | 121.3 | 117.9 | 52.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 1047 | S | 26.2 | Very low | 26.1 | Very low | 118.2 Ų | 118.2 | 116.4 Ų | 116.4 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 77 | 128.9 | 136.7 | 60 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1048 | G | 25.4 | Very low | 25.8 | Very low | 81.6 Ų | 81.6 | 117 Ų | 117 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | 132.8 | 140.9 | 61 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1049 | G | 25.3 | Very low | 25.7 | Very low | 68.2 Ų | 68.2 | 118.4 Ų | 118.4 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | cis | 143.8 | 155.8 | 6.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1050 | S | 25.9 | Very low | 25.4 | Very low | 116.8 Ų | 116.8 | 120 Ų | 120 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | 72.3 | 119.7 | 129.9 | -13.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1051 | S | 25.7 | Very low | 25.2 | Very low | 106.6 Ų | 106.6 | 118.8 Ų | 118.8 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | 97.5 | 135 | 96.6 | 53.9 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1052 | S | 25.5 | Very low | 25.1 | Very low | 108.2 Ų | 108.2 | 119.5 Ų | 119.5 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | 91.3 | 131.9 | 129.5 | 54 | 0 | 0 | 0 | 0 | 116.2 | S1054 | S1052-S1054 PolarHBondContact O-N 3.4Š| |||
| 1053 | S | 25.3 | Very low | 25 | Very low | 106.6 Ų | 106.6 | 122.5 Ų | 122.5 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | 163 | 123.3 | 138.6 | 54.4 | 0 | 0 | 0 | 0 | 114.9 | S1055 | S1053-S1055 PolarHBondContact O-N 3.28Š| ||
| 1054 | S | 25 | Very low | 24.9 | Very low | 116.2 Ų | 116.2 | 124.2 Ų | 124.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 45.3 | 124.9 | 145.2 | 62.7 | 0 | 0 | 0 | 0 | 115.1 | S1052 G1056 | S1052-S1054 PolarHBondContact O-N 3.4Å; S1054-G1056 PolarHBondContact O-N 2.85Å | ||
| 1055 | S | 26.3 | Very low | 24.9 | Very low | 112.8 Ų | 112.8 | 117.7 Ų | 117.7 | 79% | 0.789 | 76% | 0.758 | S | S | * | * | -145.9 | 137 | 120.1 | 47.9 | 0 | 0 | 0 | 0 | 109.9 | S1053 I1057 | S1053-S1055 PolarHBondContact O-N 3.28Å; S1055-I1057 PolarHBondContact O-N 2.83Å | |||
| 1056 | G | 24 | Very low | 24.8 | Very low | 72 Ų | 72 | 119.7 Ų | 119.7 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | 146.1 | 82.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S1054 Q1058 | S1054-G1056 PolarHBondContact O-N 2.85Å; G1056-Q1058 PolarHBondContact O-N 3.44Å | ||
| 1057 | I | 23.9 | Very low | 24.7 | Very low | 144 Ų | 144 | 118.5 Ų | 118.5 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | -56.3 | 118.7 | 129.7 | -66.8 | 170.8 | 0 | 0 | 0 | 108.9 | N1039 S1055 C1059 | N1039-I1057 VanDerWaalsContact ND2-CG1 3.25Å; N1039-I1057 WeakPolarHBondContact ND2-CG1 3.45Å; S1055-I1057 PolarHBondContact O-N 2.83Å; I1057-C1059 PolarHBondContact O-N 3.12Å | |||
| 1058 | Q | 23.4 | Very low | 24.8 | Very low | 173.2 Ų | 173.2 | 118.1 Ų | 118.1 | 81% | 0.809 | 74% | 0.742 | S | S | * | * | trans | -75.5 | 126.7 | 168.6 | -125.4 | 165.3 | -26.1 | 0 | 0 | 110.5 | G1056 Q1060 | G1056-Q1058 PolarHBondContact O-N 3.44Å; Q1058-Q1060 PolarHBondContact O-N 3.22Å | ||
| 1059 | C | 23.7 | Very low | 24.9 | Very low | 103.4 Ų | 103.4 | 119 Ų | 119 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | trans | -90.6 | 122 | 138.3 | -78.2 | 0 | 0 | 0 | 0 | 109.2 | I1057 D1061 | I1057-C1059 PolarHBondContact O-N 3.12Å; C1059-D1061 PolarHBondContact O-N 3.16Å | ||
| 1060 | Q | 23.4 | Very low | 25 | Very low | 173.6 Ų | 173.6 | 121.1 Ų | 121.1 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | trans | -102.9 | 115.9 | 150.2 | -96.2 | 166.7 | -43.6 | 0 | 0 | 110.3 | Q1058 N1062 | Q1058-Q1060 PolarHBondContact O-N 3.22Å; Q1060-N1062 PolarHBondContact O-N 3.17Å | ||
| 1061 | D | 23.6 | Very low | 25.1 | Very low | 123.8 Ų | 123.8 | 118.6 Ų | 118.6 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | trans | -48.5 | 141 | 148.8 | -63.6 | -52.6 | 0 | 0 | 0 | 112.4 | C1059 N1063 | C1059-D1061 PolarHBondContact O-N 3.16Å; D1061-N1063 PolarHBondContact O-N 2.91Å; D1061-N1063 PolarHBondContact O-ND2 3.33Å | ||
| 1062 | N | 24.7 | Very low | 25.2 | Very low | 143.6 Ų | 143.6 | 117.9 Ų | 117.9 | 77% | 0.768 | 70% | 0.695 | S | S | * | * | trans | -158.9 | 111.9 | 135.6 | -87.6 | -44.4 | 0 | 0 | 0 | 112.5 | Q1060 V1064 | Q1060-N1062 PolarHBondContact O-N 3.17Å; N1062-V1064 PolarHBondContact O-N 3.09Å | ||
| 1063 | N | 24.2 | Very low | 25.6 | Very low | 146.6 Ų | 146.6 | 115.6 Ų | 115.6 | 78% | 0.784 | 67% | 0.67 | S | S | * | * | trans | -5.1 | 86.1 | 157.5 | -69.1 | -37.6 | 0 | 0 | 0 | 114.3 | D1061 S1065 | D1061-N1063 PolarHBondContact O-N 2.91Å; D1061-N1063 PolarHBondContact O-ND2 3.33Å; N1063-S1065 PolarHBondContact O-N 3.1Å | ||
| 1064 | V | 24.4 | Very low | 26.1 | Very low | 115.6 Ų | 115.6 | 113.7 Ų | 113.7 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | -66.5 | 89.7 | 128.4 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | N1062 H1066 | N1062-V1064 PolarHBondContact O-N 3.09Å; V1064-H1066 VanDerWaalsContact C-N 3.29Å; V1064-H1066 PolarHBondContact O-CD2 3.4Å; V1064-H1066 VanDerWaalsContact O-CD2 3.31Å; V1064-H1066 PolarHBondContact O-N 3.41Å | |||
| 1065 | S | 24 | Very low | 26.8 | Very low | 98.2 Ų | 98.2 | 109.6 Ų | 109.6 | 69% | 0.687 | 62% | 0.618 | S | S | * | * | trans | -96.3 | 104.7 | 168.4 | 51.8 | 0 | 0 | 0 | 0 | 109 | N1063 S1067 | N1063-S1065 PolarHBondContact O-N 3.1Å; S1065-S1067 PolarHBondContact O-N 2.95Å | ||
| 1066 | H | 25.1 | Very low | 27.4 | Very low | 169.4 Ų | 169.4 | 105.7 Ų | 105.7 | 78% | 0.784 | 59% | 0.588 | S | S | * | * | trans | -65.4 | 92.6 | 163.6 | -71.2 | -74.3 | 0 | 0 | 0 | 112.2 | V1064 I1068 | V1064-H1066 VanDerWaalsContact C-N 3.29Å; V1064-H1066 PolarHBondContact O-CD2 3.4Å; V1064-H1066 VanDerWaalsContact O-CD2 3.31Å; V1064-H1066 PolarHBondContact O-N 3.41Å; H1066-I1068 VanDerWaalsContact C-N 3.27Å; H1066-I1068 PolarHBondContact O-N 2.97Å | ||
| 1067 | S | 24.7 | Very low | 28.2 | Very low | 90.2 Ų | 90.2 | 102.9 Ų | 102.9 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | trans | -123.8 | 102 | 164.9 | 55.2 | 0 | 0 | 0 | 0 | 111 | S1065 T1069 | S1065-S1067 PolarHBondContact O-N 2.95Å; S1067-T1069 PolarHBondContact O-N 3.29Å; S1067-T1069 VanDerWaalsContact O-N 3.15Å; S1067-T1069 PolarHBondContact O-OG1 2.9Å | ||
| 1068 | I | 27.5 | Very low | 28.9 | Very low | 110 Ų | 110 | 100.5 Ų | 100.5 | 56% | 0.564 | 54% | 0.538 | S | S | * | . | trans | -96.8 | 105.5 | 134.8 | -65.8 | 153.7 | 0 | 0 | 0 | 107 | I969 P972 T973 L1025 H1066 N1070 Y1073 | I969-I1068 HydrophobicContact CD1-CB 3.88Å; I969-I1068 HydrophobicContact CD1-CG2 3.92Å; I969-I1068 HydrophobicContact CG1-CB 4Å; I969-I1068 HydrophobicContact CG1-CD1 4.23Å; I969-I1068 HydrophobicContact CG1-CG2 4.47Å; I969-I1068 HydrophobicContact CG2-CB 4.08Å; I969-I1068 WeakPolarHBondContact CG2-O 3.48Å; P972-I1068 VanDerWaalsContact CA-CD1 3.49Å; P972-I1068 HydrophobicContact CB-CD1 3.31Å; T973-I1068 HydrophobicContact CG2-CD1 4.28Å; L1025-I1068 HydrophobicContact CD2-CG2 4.48Å; H1066-I1068 VanDerWaalsContact C-N 3.27Å; H1066-I1068 PolarHBondContact O-N 2.97Å; I1068-N1070 WeakPolarHBondContact CG2-OD1 3.3Å; I1068-N1070 PolarHBondContact O-N 3.4Å; I1068-Y1073 HydrophobicContact CB-CE2 4.36Å; I1068-Y1073 HydrophobicContact CD1-CE2 3.83Å; I1068-Y1073 HydrophobicContact CG1-CE2 3.86Å; I1068-Y1073 HydrophobicContact CG2-CD2 3.7Å; I1068-Y1073 HydrophobicContact CG2-CE2 3.5Å | ||
| 1069 | T | 26.5 | Very low | 29.6 | Very low | 99.6 Ų | 99.6 | 93.4 Ų | 93.4 | 61% | 0.611 | 51% | 0.505 | S | S | * | . | trans | -63.5 | 123.7 | 156.5 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | I969 S1067 S1071 M1072 F1139 S1141 | I969-T1069 WeakPolarHBondContact CD1-O 3.35Å; S1067-T1069 PolarHBondContact O-N 3.29Å; S1067-T1069 VanDerWaalsContact O-N 3.15Å; S1067-T1069 PolarHBondContact O-OG1 2.9Å; T1069-S1071 PolarHBondContact O-N 3Å; T1069-S1071 PolarHBondContact OG1-OG 3.34Å; T1069-M1072 PolarHBondContact O-N 3.3Å; T1069-F1139 WeakPolarHBondContact CA-O 3.46Å; T1069-F1139 VanDerWaalsContact CB-O 3.24Å; T1069-F1139 WeakPolarHBondContact CB-O 3.36Å; T1069-F1139 VanDerWaalsContact CG2-O 3.3Å; T1069-F1139 WeakPolarHBondContact CG2-O 3.2Å; T1069-S1141 PolarHBondContact OG1-O 3.3Å | ||
| 1070 | N | 27.5 | Very low | 30.2 | Very low | 112.2 Ų | 112.2 | 92.1 Ų | 92.1 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | trans | -1.2 | 84.8 | 170.1 | -70.3 | 8.9 | 0 | 0 | 0 | 114.2 | I1068 M1072 T1140 S1141 N1142 | I1068-N1070 WeakPolarHBondContact CG2-OD1 3.3Å; I1068-N1070 PolarHBondContact O-N 3.4Å; N1070-M1072 VanDerWaalsContact C-N 3.33Å; N1070-M1072 HydrophobicContact CB-CE 4.48Å; N1070-M1072 HydrophobicContact CB-CG 4.4Å; N1070-M1072 PolarHBondContact N-SD 3.49Å; N1070-M1072 WeakPolarHBondContact O-CG 3.32Å; N1070-M1072 PolarHBondContact O-N 3.28Å; N1070-T1140 WeakPolarHBondContact OD1-CA 3.41Å; N1070-S1141 WeakPolarHBondContact OD1-CA 3.32Å; N1070-S1141 PolarHBondContact OD1-N 3.25Å; N1070-N1142 PolarHBondContact ND2-OD1 3.28Å | ||
| 1071 | S | 28.7 | Very low | 30.7 | Very low | 65.4 Ų | 65.4 | 87.4 Ų | 87.4 | 46% | 0.457 | 47% | 0.471 | S | S | . | . | trans | -91.9 | 99.1 | 159.5 | 37.1 | 0 | 0 | 0 | 0 | 110.7 | G966 I969 T1069 Y1073 W1111 | G966-S1071 WeakPolarHBondContact O-CB 3.45Å; G966-S1071 PolarHBondContact O-OG 3.22Å; I969-S1071 WeakPolarHBondContact CD1-OG 3.44Å; T1069-S1071 PolarHBondContact O-N 3Å; T1069-S1071 PolarHBondContact OG1-OG 3.34Å; S1071-Y1073 VanDerWaalsContact C-N 3.35Å; S1071-Y1073 VanDerWaalsContact CB-CE2 3.5Å; S1071-Y1073 WeakPolarHBondContact O-CD2 3.21Å; S1071-Y1073 VanDerWaalsContact O-CE2 3.27Å; S1071-Y1073 WeakPolarHBondContact O-CE2 3.41Å; S1071-Y1073 PolarHBondContact O-N 3.16Å; S1071-Y1073 VanDerWaalsContact OG-CE1 3.25Å; S1071-Y1073 WeakPolarHBondContact OG-CE1 3.41Å; S1071-Y1073 PolarHBondContact OG-OH 3.13Å; S1071-W1111 CarbonylContact C-O 3.16Å | ||
| 1072 | M | 28.7 | Very low | 31.1 | Very low | 91.8 Ų | 91.8 | 86.6 Ų | 86.6 | 45% | 0.452 | 47% | 0.47 | S | S | . | . | trans | -92 | 72.6 | -177.7 | -79.6 | -150.7 | -149.4 | 0 | 0 | 110.7 | F959 Q965 T1069 N1070 Q1074 W1111 T1112 M1138 F1139 T1140 | F959-M1072 HydrophobicContact CD2-CE 4.2Å; F959-M1072 HydrophobicContact CD2-SD 3.76Å; F959-M1072 HydrophobicContact CE2-CE 3.5Å; F959-M1072 HydrophobicContact CE2-SD 3.67Å; F959-M1072 HydrophobicContact CZ-CE 4.36Å; Q965-M1072 VanDerWaalsContact O-O 3.05Å; T1069-M1072 PolarHBondContact O-N 3.3Å; N1070-M1072 VanDerWaalsContact C-N 3.33Å; N1070-M1072 HydrophobicContact CB-CE 4.48Å; N1070-M1072 HydrophobicContact CB-CG 4.4Å; N1070-M1072 PolarHBondContact N-SD 3.49Å; N1070-M1072 WeakPolarHBondContact O-CG 3.32Å; N1070-M1072 PolarHBondContact O-N 3.28Å; M1072-Q1074 PolarHBondContact O-N 2.99Å; M1072-Q1074 VanDerWaalsContact O-N 3.11Å; M1072-W1111 PolarHBondContact N-O 3.41Å; M1072-W1111 VanDerWaalsContact N-O 3.12Å; M1072-T1112 HydrophobicContact CB-CG2 3.18Å; M1072-T1112 HydrophobicContact CE-CG2 4.31Å; M1072-M1138 HydrophobicContact SD-CB 4.49Å; M1072-F1139 WeakPolarHBondContact SD-CA 3.12Å; M1072-T1140 PolarHBondContact O-N 2.89Å; M1072-T1140 VanDerWaalsContact O-N 3.14Å; M1072-T1140 PolarHBondContact O-OG1 3.2Å; M1072-T1140 VanDerWaalsContact O-OG1 3.12Å | ||
| 1073 | Y | 32.6 | Very low | 31.4 | Very low | 59 Ų | 59 | 85.7 Ų | 85.7 | 23% | 0.231 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 110.6 | 179 | -70.7 | -67.6 | 0 | 0 | 0 | 109.5 | Q965 G966 L967 L970 L1025 I1068 S1071 L1075 W1111 T1112 N1114 F1115 V1129 H1130 E1132 L1137 M1138 F1139 | Q965-Y1073 WeakPolarHBondContact O-CA 3.48Å; G966-Y1073 WeakPolarHBondContact O-CD1 3.5Å; G966-Y1073 WeakPolarHBondContact O-CE1 3.18Å; L967-Y1073 HydrophobicContact CB-CD1 4.27Å; L967-Y1073 HydrophobicContact CB-CE1 4.43Å; L967-Y1073 HydrophobicContact CD1-CD1 3.66Å; L967-Y1073 HydrophobicContact CD1-CE1 4.08Å; L967-Y1073 HydrophobicContact CD1-CG 4.31Å; L967-Y1073 HydrophobicContact CG-CD1 4.03Å; L967-Y1073 HydrophobicContact CG-CE1 4.05Å; L970-Y1073 HydrophobicContact CD1-CE1 4.29Å; L1025-Y1073 HydrophobicContact CD2-CD2 3.63Å; L1025-Y1073 HydrophobicContact CD2-CE2 3.93Å; I1068-Y1073 HydrophobicContact CB-CE2 4.36Å; I1068-Y1073 HydrophobicContact CD1-CE2 3.83Å; I1068-Y1073 HydrophobicContact CG1-CE2 3.86Å; I1068-Y1073 HydrophobicContact CG2-CD2 3.7Å; I1068-Y1073 HydrophobicContact CG2-CE2 3.5Å; S1071-Y1073 VanDerWaalsContact C-N 3.35Å; S1071-Y1073 VanDerWaalsContact CB-CE2 3.5Å; S1071-Y1073 WeakPolarHBondContact O-CD2 3.21Å; S1071-Y1073 VanDerWaalsContact O-CE2 3.27Å; S1071-Y1073 WeakPolarHBondContact O-CE2 3.41Å; S1071-Y1073 PolarHBondContact O-N 3.16Å; S1071-Y1073 VanDerWaalsContact OG-CE1 3.25Å; S1071-Y1073 WeakPolarHBondContact OG-CE1 3.41Å; S1071-Y1073 PolarHBondContact OG-OH 3.13Å; Y1073-L1075 VanDerWaalsContact C-N 3.29Å; Y1073-L1075 PolarHBondContact O-N 3.35Å; Y1073-W1111 HydrophobicContact CD2-CB 4.27Å; Y1073-W1111 AromaticContact CD2-CD2 3.67Å; Y1073-W1111 HydrophobicContact CD2-CD2 3.67Å; Y1073-W1111 AromaticContact CD2-CE3 3.52Å; Y1073-W1111 HydrophobicContact CD2-CE3 3.52Å; Y1073-W1111 HydrophobicContact CD2-CG 4.07Å; Y1073-W1111 HydrophobicContact CD2-CH2 4.39Å; Y1073-W1111 AromaticContact CD2-CZ3 3.88Å; Y1073-W1111 HydrophobicContact CD2-CZ3 3.88Å; Y1073-W1111 HydrophobicContact CG-CD2 4.4Å; Y1073-W1111 AromaticContact CG-CE3 3.97Å; Y1073-W1111 HydrophobicContact CG-CE3 3.97Å; Y1073-W1111 HydrophobicContact CG-CZ3 4.44Å; Y1073-T1112 VanDerWaalsContact CA-CG2 3.44Å; Y1073-T1112 HydrophobicContact CD1-CG2 3.38Å; Y1073-T1112 VanDerWaalsContact CE1-CA 3.45Å; Y1073-T1112 HydrophobicContact CE1-CG2 4.23Å; Y1073-T1112 HydrophobicContact CG-CG2 3.69Å; Y1073-N1114 VanDerWaalsContact OH-C 3.22Å; Y1073-N1114 WeakPolarHBondContact OH-CA 3.28Å; Y1073-N1114 PolarHBondContact OH-N 2.98Å; Y1073-F1115 HydrophobicContact CE1-CB 4.12Å; Y1073-F1115 PolarHBondContact OH-N 2.69Å; Y1073-V1129 HydrophobicContact CD2-CB 4.48Å; Y1073-V1129 HydrophobicContact CD2-CG1 3.52Å; Y1073-V1129 VanDerWaalsContact CD2-CG1 3.44Å; Y1073-V1129 HydrophobicContact CE2-CB 4.28Å; Y1073-V1129 HydrophobicContact CE2-CG1 3.68Å; Y1073-V1129 HydrophobicContact CE2-CG2 4.04Å; Y1073-V1129 HydrophobicContact CG-CG1 4.2Å; Y1073-H1130 PolarHBondContact N-O 2.88Å; Y1073-E1132 PolarHBondContact O-N 3.33Å; Y1073-L1137 HydrophobicContact CD1-CD1 4.31Å; Y1073-L1137 HydrophobicContact CD1-CD2 4.17Å; Y1073-L1137 HydrophobicContact CD1-CG 3.85Å; Y1073-L1137 HydrophobicContact CE1-CD2 4.1Å; Y1073-L1137 HydrophobicContact CE1-CG 4.44Å; Y1073-L1137 HydrophobicContact CG-CD1 4.22Å; Y1073-L1137 HydrophobicContact CG-CD2 4.25Å; Y1073-L1137 HydrophobicContact CG-CG 4.24Å; Y1073-M1138 HydrophobicContact CD1-SD 4.18Å; Y1073-F1139 HydrophobicContact CD1-CD2 4.47Å; Y1073-F1139 HydrophobicContact CE1-CB 4.48Å; Y1073-F1139 AromaticContact CE1-CD2 3.96Å; Y1073-F1139 HydrophobicContact CE1-CD2 4.02Å; Y1073-F1139 HydrophobicContact CE1-CE2 4.11Å |
| 1074 | Q | 36.4 | Very low | 31.7 | Very low | 67.6 Ų | 67.6 | 86 Ų | 86 | 32% | 0.316 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 115.1 | 158.9 | -171.9 | -173 | -19.6 | 0 | 0 | 109.7 | T961 T963 C964 Q965 M1072 E1076 H1094 F1115 E1132 S1134 M1138 T1140 | T961-Q1074 PolarHBondContact OG1-NE2 3.46Å; T963-Q1074 CarbonylContact C-O 3.6Å; T963-Q1074 VanDerWaalsContact C-O 3.28Å; T963-Q1074 CarbonylContact O-C 2.81Å; T963-Q1074 VanDerWaalsContact O-C 3.3Å; C964-Q1074 CarbonylContact C-O 3.3Å; C964-Q1074 WeakPolarHBondContact CA-O 3.36Å; C964-Q1074 PolarHBondContact N-O 3.39Å; C964-Q1074 VanDerWaalsContact N-O 3.09Å; Q965-Q1074 HydrophobicContact CB-CB 4.09Å; Q965-Q1074 PolarHBondContact N-O 3.33Å; Q965-Q1074 PolarHBondContact O-N 3.18Å; M1072-Q1074 PolarHBondContact O-N 2.99Å; M1072-Q1074 VanDerWaalsContact O-N 3.11Å; Q1074-E1076 VanDerWaalsContact CA-N 3.3Å; Q1074-E1076 HydrophobicContact CG-CB 3.82Å; Q1074-E1076 HydrophobicContact CG-CG 3.73Å; Q1074-E1076 PolarHBondContact O-N 3.15Å; Q1074-H1094 PolarHBondContact NE2-NE2 3.36Å; Q1074-H1094 VanDerWaalsContact NE2-NE2 3.17Å; Q1074-H1094 PolarHBondContact OE1-NE2 3.39Å; Q1074-F1115 HydrophobicContact CG-CB 4.14Å; Q1074-F1115 HydrophobicContact CG-CD1 4.5Å; Q1074-F1115 HydrophobicContact CG-CG 4.15Å; Q1074-E1132 CarbonylContact C-O 2.94Å; Q1074-E1132 VanDerWaalsContact C-O 3.28Å; Q1074-E1132 VanDerWaalsContact CA-O 3.31Å; Q1074-E1132 WeakPolarHBondContact CA-O 3.34Å; Q1074-E1132 PolarHBondContact NE2-OE2 3.42Å; Q1074-S1134 WeakPolarHBondContact CG-OG 3.24Å; Q1074-S1134 PolarHBondContact NE2-OG 3.23Å; Q1074-S1134 VanDerWaalsContact NE2-OG 3.14Å; Q1074-M1138 HydrophobicContact CB-CB 4.49Å; Q1074-M1138 PolarHBondContact N-O 3.18Å; Q1074-M1138 WeakPolarHBondContact O-CB 3.43Å; Q1074-M1138 PolarHBondContact O-N 3.08Å; Q1074-T1140 HydrophobicContact CB-CG2 3.97Å |
| 1075 | L | 38.7 | Very low | 31.9 | Very low | 28.6 Ų | 28.6 | 86.2 Ų | 86.2 | 15% | 0.15 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 95.4 | 167.1 | -145.4 | 117 | 0 | 0 | 0 | 109.3 | L960 T961 T963 C964 I986 I987 R1017 L1020 L1021 Y1073 L1077 L1101 L1131 E1132 L1133 S1134 A1135 K1136 L1137 | L960-L1075 HydrophobicContact CD1-CD2 3.87Å; L960-L1075 HydrophobicContact CG-CD2 4.27Å; T961-L1075 PolarHBondContact N-O 2.92Å; T963-L1075 CarbonylContact O-C 3.37Å; T963-L1075 WeakPolarHBondContact O-CA 3.38Å; T963-L1075 PolarHBondContact O-N 3.02Å; C964-L1075 HydrophobicContact CB-CG 4.39Å; C964-L1075 WeakPolarHBondContact SG-CD2 3.48Å; I986-L1075 WeakPolarHBondContact O-CD2 3.43Å; I987-L1075 HydrophobicContact CG2-CD2 3.31Å; R1017-L1075 WeakPolarHBondContact CD-O 3.32Å; R1017-L1075 HydrophobicContact CG-CB 3.84Å; R1017-L1075 HydrophobicContact CG-CD2 4.04Å; R1017-L1075 HydrophobicContact CG-CG 4.46Å; R1017-L1075 PolarHBondContact NE-O 3.28Å; L1020-L1075 HydrophobicContact CB-CD2 3.37Å; L1020-L1075 HydrophobicContact CD1-CD2 4.23Å; L1020-L1075 HydrophobicContact CG-CD2 4.47Å; L1021-L1075 HydrophobicContact CB-CB 4.5Å; Y1073-L1075 VanDerWaalsContact C-N 3.29Å; Y1073-L1075 PolarHBondContact O-N 3.35Å; L1075-L1077 HydrophobicContact CD2-CD1 3.91Å; L1075-L1077 HydrophobicContact CD2-CD2 4.07Å; L1075-L1077 HydrophobicContact CD2-CG 4.18Å; L1075-L1077 HydrophobicContact CG-CD2 4.44Å; L1075-L1077 PolarHBondContact O-N 2.89Å; L1075-L1101 HydrophobicContact CD2-CD1 3.87Å; L1075-L1131 HydrophobicContact CB-CD2 4.41Å; L1075-L1131 HydrophobicContact CD1-CB 3.66Å; L1075-L1131 HydrophobicContact CD1-CD2 3.77Å; L1075-L1131 VanDerWaalsContact CD1-CD2 3.44Å; L1075-L1131 HydrophobicContact CD1-CG 4.15Å; L1075-E1132 WeakPolarHBondContact CB-O 3.48Å; L1075-E1132 PolarHBondContact N-O 3.21Å; L1075-L1133 HydrophobicContact CB-CB 4.05Å; L1075-L1133 HydrophobicContact CB-CD2 3.73Å; L1075-L1133 HydrophobicContact CB-CG 3.56Å; L1075-L1133 HydrophobicContact CD1-CD2 4.46Å; L1075-L1133 HydrophobicContact CD1-CG 4.34Å; L1075-L1133 HydrophobicContact CD2-CD2 4.06Å; L1075-L1133 HydrophobicContact CD2-CG 4.21Å; L1075-L1133 HydrophobicContact CG-CD2 4.28Å; L1075-L1133 HydrophobicContact CG-CG 4.39Å; L1075-L1133 CarbonylContact O-C 3.53Å; L1075-L1133 WeakPolarHBondContact O-CA 3.21Å; L1075-L1133 WeakPolarHBondContact O-CB 3.11Å; L1075-S1134 PolarHBondContact O-N 3.13Å; L1075-S1134 VanDerWaalsContact O-O 3.14Å; L1075-A1135 HydrophobicContact CD1-CB 4.4Å; L1075-A1135 HydrophobicContact CD2-CB 4.44Å; L1075-K1136 CarbonylContact C-O 3.42Å; L1075-K1136 WeakPolarHBondContact CA-O 3.49Å; L1075-L1137 HydrophobicContact CB-CD1 4.45Å; L1075-L1137 HydrophobicContact CD1-CD1 4Å |
| 1076 | E | 39.9 | Very low | 32.1 | Very low | 31.8 Ų | 31.8 | 88.9 Ų | 88.9 | 15% | 0.149 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129.2 | 172.8 | -139.8 | -156.9 | -169.5 | 0 | 0 | 109.8 | T961 V962 T963 D984 D985 I987 Q1074 R1078 F1115 S1134 A1135 K1136 M1138 | T961-E1076 CarbonylContact O-C 3.52Å; T961-E1076 WeakPolarHBondContact O-CA 3.28Å; V962-E1076 CarbonylContact C-O 2.89Å; V962-E1076 CarbonylContact O-C 3.42Å; V962-E1076 WeakPolarHBondContact O-CA 3.49Å; V962-E1076 WeakPolarHBondContact O-CB 3.47Å; V962-E1076 VanDerWaalsContact O-O 3.08Å; T963-E1076 HydrophobicContact CG2-CG 4.17Å; T963-E1076 PolarHBondContact O-N 3.31Å; D984-E1076 VanDerWaalsContact C-OE2 3.27Å; D984-E1076 HydrophobicContact CB-CB 3.75Å; D984-E1076 HydrophobicContact CB-CG 3.42Å; D984-E1076 VanDerWaalsContact CB-CG 3.42Å; D984-E1076 VanDerWaalsContact CB-OE1 3.28Å; D984-E1076 WeakPolarHBondContact CB-OE1 3.12Å; D985-E1076 HydrophobicContact CB-CB 3.72Å; D985-E1076 PolarHBondContact N-OE2 3.19Å; I987-E1076 WeakPolarHBondContact CG1-O 3.21Å; I987-E1076 WeakPolarHBondContact CG2-O 3.45Å; Q1074-E1076 VanDerWaalsContact CA-N 3.3Å; Q1074-E1076 HydrophobicContact CG-CB 3.82Å; Q1074-E1076 HydrophobicContact CG-CG 3.73Å; Q1074-E1076 PolarHBondContact O-N 3.15Å; E1076-R1078 HydrophobicContact CB-CB 3.97Å; E1076-R1078 VanDerWaalsContact CD-NE 3.27Å; E1076-R1078 HydrophobicContact CG-CB 4.03Å; E1076-R1078 HydrophobicContact CG-CG 4.22Å; E1076-R1078 PolarHBondContact O-N 3.49Å; E1076-R1078 IonicContact OE1-CZ 2.99Å; E1076-R1078 IonicContact OE1-NE 3.19Å; E1076-R1078 PolarHBondContact OE1-NE 3.21Å; E1076-R1078 IonicContact OE1-NH2 2.94Å; E1076-R1078 PolarHBondContact OE1-NH2 3.14Å; E1076-R1078 WeakPolarHBondContact OE2-CA 3.4Å; E1076-R1078 WeakPolarHBondContact OE2-CB 3.17Å; E1076-R1078 WeakPolarHBondContact OE2-CD 3.3Å; E1076-R1078 IonicContact OE2-CZ 2.7Å; E1076-R1078 VanDerWaalsContact OE2-CZ 3.32Å; E1076-R1078 PolarHBondContact OE2-N 2.95Å; E1076-R1078 IonicContact OE2-NE 3.35Å; E1076-R1078 PolarHBondContact OE2-NE 3.27Å; E1076-R1078 VanDerWaalsContact OE2-NE 3.09Å; E1076-R1078 IonicContact OE2-NH2 3.36Å; E1076-R1078 PolarHBondContact OE2-NH2 3.16Å; E1076-F1115 HydrophobicContact CG-CE1 4.38Å; E1076-F1115 WeakPolarHBondContact OE2-CE1 3.46Å; E1076-F1115 WeakPolarHBondContact OE2-CZ 3.13Å; E1076-S1134 WeakPolarHBondContact CA-O 3.32Å; E1076-S1134 WeakPolarHBondContact CA-OG 3.44Å; E1076-S1134 VanDerWaalsContact CB-O 3.28Å; E1076-S1134 WeakPolarHBondContact CB-O 3.06Å; E1076-S1134 WeakPolarHBondContact CB-OG 3.43Å; E1076-S1134 WeakPolarHBondContact CG-O 3.25Å; E1076-A1135 CarbonylContact O-C 3.59Å; E1076-A1135 VanDerWaalsContact O-CA 3.23Å; E1076-A1135 WeakPolarHBondContact O-CA 3.32Å; E1076-K1136 HydrophobicContact CB-CB 4.48Å; E1076-K1136 HydrophobicContact CG-CB 4.05Å; E1076-K1136 VanDerWaalsContact CG-N 3.32Å; E1076-K1136 PolarHBondContact N-O 3.19Å; E1076-K1136 PolarHBondContact O-N 2.97Å; E1076-K1136 WeakPolarHBondContact OE1-CA 3.18Å; E1076-K1136 WeakPolarHBondContact OE1-CB 3.13Å; E1076-K1136 VanDerWaalsContact OE1-CD 3.25Å; E1076-K1136 WeakPolarHBondContact OE1-CD 3.24Å; E1076-K1136 PolarHBondContact OE1-N 3.17Å; E1076-K1136 VanDerWaalsContact OE1-O 3.04Å; E1076-M1138 HydrophobicContact CG-CG 3.91Å |
| 1077 | L | 40.5 | Very low | 32.3 | Very low | 12.8 Ų | 12.8 | 85.4 Ų | 85.4 | 7% | 0.067 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 97 | 168.4 | -69.9 | 141.2 | 0 | 0 | 0 | 109.4 | L960 T961 V962 T963 I987 L1013 L1016 R1017 L1020 L1021 L1075 I1079 L1092 F1105 F1108 E1132 L1133 S1134 A1135 K1136 | L960-L1077 HydrophobicContact CD1-CD1 3.63Å; L960-L1077 HydrophobicContact CD1-CD2 4.24Å; L960-L1077 HydrophobicContact CD2-CD1 3.35Å; L960-L1077 HydrophobicContact CG-CD1 3.44Å; L960-L1077 VanDerWaalsContact CG-CD1 3.44Å; T961-L1077 CarbonylContact O-C 3.6Å; T961-L1077 WeakPolarHBondContact O-CA 3.15Å; T961-L1077 PolarHBondContact O-N 3.47Å; V962-L1077 CarbonylContact C-O 3.58Å; V962-L1077 VanDerWaalsContact CA-O 3.24Å; V962-L1077 WeakPolarHBondContact CA-O 3.41Å; V962-L1077 HydrophobicContact CB-CB 4.47Å; V962-L1077 HydrophobicContact CG1-CB 4.4Å; V962-L1077 HydrophobicContact CG2-CB 4.19Å; V962-L1077 HydrophobicContact CG2-CD1 4.15Å; V962-L1077 PolarHBondContact O-N 3.49Å; T963-L1077 PolarHBondContact N-O 2.95Å; T963-L1077 PolarHBondContact OG1-O 2.97Å; I987-L1077 HydrophobicContact CG1-CB 4.44Å; I987-L1077 HydrophobicContact CG1-CG 4.02Å; L1013-L1077 HydrophobicContact CD1-CD1 4.26Å; L1016-L1077 HydrophobicContact CD2-CD1 4.44Å; R1017-L1077 HydrophobicContact CB-CD1 4.16Å; R1017-L1077 HydrophobicContact CG-CD1 4.35Å; L1020-L1077 HydrophobicContact CD1-CD2 3.72Å; L1021-L1077 HydrophobicContact CD1-CD2 4.32Å; L1075-L1077 HydrophobicContact CD2-CD1 3.91Å; L1075-L1077 HydrophobicContact CD2-CD2 4.07Å; L1075-L1077 HydrophobicContact CD2-CG 4.18Å; L1075-L1077 HydrophobicContact CG-CD2 4.44Å; L1075-L1077 PolarHBondContact O-N 2.89Å; L1077-I1079 VanDerWaalsContact C-CD1 3.49Å; L1077-I1079 VanDerWaalsContact C-N 3.35Å; L1077-I1079 HydrophobicContact CB-CD1 4.2Å; L1077-I1079 HydrophobicContact CD2-CD1 4.45Å; L1077-I1079 PolarHBondContact O-N 3.12Å; L1077-L1092 HydrophobicContact CB-CB 4.34Å; L1077-L1092 HydrophobicContact CB-CD1 4.1Å; L1077-F1105 HydrophobicContact CD2-CD1 4.14Å; L1077-F1105 HydrophobicContact CD2-CE1 3.73Å; L1077-F1105 HydrophobicContact CD2-CZ 4.5Å; L1077-F1108 HydrophobicContact CD1-CD1 4.06Å; L1077-F1108 HydrophobicContact CD1-CE1 3.72Å; L1077-F1108 VanDerWaalsContact CD1-CE1 3.48Å; L1077-F1108 HydrophobicContact CD1-CZ 4.13Å; L1077-F1108 HydrophobicContact CD2-CD1 3.69Å; L1077-F1108 HydrophobicContact CD2-CD2 3.78Å; L1077-F1108 HydrophobicContact CD2-CE1 3.55Å; L1077-F1108 HydrophobicContact CD2-CE2 3.47Å; L1077-F1108 VanDerWaalsContact CD2-CE2 3.47Å; L1077-F1108 HydrophobicContact CD2-CG 3.89Å; L1077-F1108 HydrophobicContact CD2-CZ 3.4Å; L1077-F1108 HydrophobicContact CG-CD1 4.17Å; L1077-F1108 HydrophobicContact CG-CE1 4.03Å; L1077-F1108 HydrophobicContact CG-CZ 4.29Å; L1077-E1132 CarbonylContact O-C 3.49Å; L1077-E1132 VanDerWaalsContact O-C 3.32Å; L1077-E1132 WeakPolarHBondContact O-CA 2.93Å; L1077-E1132 WeakPolarHBondContact O-CG 3.29Å; L1077-L1133 HydrophobicContact CB-CB 4.09Å; L1077-L1133 HydrophobicContact CB-CD2 4.26Å; L1077-L1133 HydrophobicContact CD1-CB 4.14Å; L1077-L1133 HydrophobicContact CD1-CD2 4.44Å; L1077-L1133 HydrophobicContact CD2-CD2 3.9Å; L1077-L1133 HydrophobicContact CG-CD2 4.45Å; L1077-L1133 CarbonylContact O-C 3.38Å; L1077-L1133 WeakPolarHBondContact O-CA 3.34Å; L1077-L1133 PolarHBondContact O-N 3.06Å; L1077-S1134 CarbonylContact C-O 3.47Å; L1077-S1134 VanDerWaalsContact C-O 3.25Å; L1077-S1134 WeakPolarHBondContact CA-O 3.45Å; L1077-S1134 PolarHBondContact N-O 2.86Å; L1077-S1134 PolarHBondContact O-N 2.78Å; L1077-A1135 HydrophobicContact CB-CB 3.82Å; L1077-A1135 HydrophobicContact CD1-CB 3.69Å; L1077-A1135 HydrophobicContact CD2-CB 3.69Å; L1077-A1135 VanDerWaalsContact CD2-CB 3.47Å; L1077-A1135 HydrophobicContact CG-CB 4.32Å; L1077-K1136 CarbonylContact C-O 2.86Å; L1077-K1136 PolarHBondContact O-N 3.37Å |
| 1078 | R | 39.5 | Very low | 32.4 | Very low | 94.2 Ų | 94.2 | 87.9 Ų | 87.9 | 36% | 0.355 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112.6 | 171.4 | -109.3 | -172.3 | -137.4 | -147.8 | 3.9 | 110.8 | T961 V962 T963 Q965 D984 E1076 I1080 E1132 L1133 S1134 K1136 M1138 | T961-R1078 VanDerWaalsContact C-C 3.41Å; T961-R1078 VanDerWaalsContact C-N 3.27Å; T961-R1078 CarbonylContact C-O 3.46Å; T961-R1078 WeakPolarHBondContact CA-O 3.34Å; T961-R1078 WeakPolarHBondContact CB-O 3.38Å; T961-R1078 HydrophobicContact CG2-CB 4.35Å; T961-R1078 WeakPolarHBondContact CG2-O 3.45Å; T961-R1078 CarbonylContact O-C 3.51Å; T961-R1078 WeakPolarHBondContact O-CA 3.47Å; T961-R1078 PolarHBondContact O-N 2.7Å; V962-R1078 PolarHBondContact O-N 2.98Å; T963-R1078 CarbonylContact O-C 3.6Å; T963-R1078 WeakPolarHBondContact O-CA 3.43Å; T963-R1078 VanDerWaalsContact OG1-CA 3.29Å; T963-R1078 WeakPolarHBondContact OG1-CA 3.44Å; T963-R1078 WeakPolarHBondContact OG1-CG 3.2Å; Q965-R1078 HydrophobicContact CG-CG 4.45Å; Q965-R1078 VanDerWaalsContact NE2-NH1 3.19Å; D984-R1078 PolarHBondContact O-NE 3.47Å; D984-R1078 PolarHBondContact O-NH2 3.42Å; E1076-R1078 HydrophobicContact CB-CB 3.97Å; E1076-R1078 VanDerWaalsContact CD-NE 3.27Å; E1076-R1078 HydrophobicContact CG-CB 4.03Å; E1076-R1078 HydrophobicContact CG-CG 4.22Å; E1076-R1078 PolarHBondContact O-N 3.49Å; E1076-R1078 IonicContact OE1-CZ 2.99Å; E1076-R1078 IonicContact OE1-NE 3.19Å; E1076-R1078 PolarHBondContact OE1-NE 3.21Å; E1076-R1078 IonicContact OE1-NH2 2.94Å; E1076-R1078 PolarHBondContact OE1-NH2 3.14Å; E1076-R1078 WeakPolarHBondContact OE2-CA 3.4Å; E1076-R1078 WeakPolarHBondContact OE2-CB 3.17Å; E1076-R1078 WeakPolarHBondContact OE2-CD 3.3Å; E1076-R1078 IonicContact OE2-CZ 2.7Å; E1076-R1078 VanDerWaalsContact OE2-CZ 3.32Å; E1076-R1078 PolarHBondContact OE2-N 2.95Å; E1076-R1078 IonicContact OE2-NE 3.35Å; E1076-R1078 PolarHBondContact OE2-NE 3.27Å; E1076-R1078 VanDerWaalsContact OE2-NE 3.09Å; E1076-R1078 IonicContact OE2-NH2 3.36Å; E1076-R1078 PolarHBondContact OE2-NH2 3.16Å; R1078-I1080 HydrophobicContact CB-CD1 4.32Å; R1078-I1080 HydrophobicContact CB-CG1 3.91Å; R1078-I1080 HydrophobicContact CG-CD1 4.44Å; R1078-I1080 HydrophobicContact CG-CG1 4.28Å; R1078-I1080 PolarHBondContact O-N 2.98Å; R1078-E1132 WeakPolarHBondContact CA-OE2 2.96Å; R1078-E1132 WeakPolarHBondContact CG-OE1 3.32Å; R1078-E1132 VanDerWaalsContact CG-OE2 3.27Å; R1078-E1132 WeakPolarHBondContact CG-OE2 2.97Å; R1078-L1133 CarbonylContact O-C 3.5Å; R1078-L1133 VanDerWaalsContact O-CA 3.27Å; R1078-L1133 WeakPolarHBondContact O-CA 3.35Å; R1078-S1134 WeakPolarHBondContact CB-OG 3.14Å; R1078-S1134 PolarHBondContact N-O 2.91Å; R1078-S1134 PolarHBondContact O-N 3Å; R1078-S1134 PolarHBondContact O-OG 3.25Å; R1078-K1136 VanDerWaalsContact CA-O 3.28Å; R1078-K1136 WeakPolarHBondContact CA-O 2.92Å; R1078-K1136 PolarHBondContact N-O 3.36Å; R1078-M1138 PolarHBondContact NH1-O 2.9Å |
| 1079 | I | 38.2 | Very low | 32.4 | Very low | 23 Ų | 23 | 89.6 Ų | 89.6 | 12% | 0.118 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 111.9 | 168.8 | -64.7 | 157.2 | 0 | 0 | 0 | 108.7 | F958 L960 T961 V962 T963 C964 Q965 L1077 N1081 I1091 L1092 L1101 L1104 F1105 F1107 F1108 V1129 H1130 L1131 E1132 L1133 L1137 | F958-I1079 HydrophobicContact CD2-CG1 4.35Å; F958-I1079 HydrophobicContact CE2-CD1 3.68Å; F958-I1079 HydrophobicContact CE2-CG1 3.81Å; F958-I1079 HydrophobicContact CZ-CD1 4.31Å; L960-I1079 HydrophobicContact CD1-CD1 3.94Å; L960-I1079 HydrophobicContact CD1-CG1 4.28Å; T961-I1079 PolarHBondContact O-N 3.2Å; V962-I1079 HydrophobicContact CG1-CD1 3.38Å; V962-I1079 HydrophobicContact CG1-CG1 3.97Å; T963-I1079 PolarHBondContact O-N 3Å; C964-I1079 CarbonylContact C-O 3.49Å; C964-I1079 HydrophobicContact CB-CB 4.42Å; Q965-I1079 PolarHBondContact N-O 2.85Å; L1077-I1079 VanDerWaalsContact C-CD1 3.49Å; L1077-I1079 VanDerWaalsContact C-N 3.35Å; L1077-I1079 HydrophobicContact CB-CD1 4.2Å; L1077-I1079 HydrophobicContact CD2-CD1 4.45Å; L1077-I1079 PolarHBondContact O-N 3.12Å; I1079-N1081 HydrophobicContact CG2-CB 4.22Å; I1079-N1081 PolarHBondContact O-N 3.29Å; I1079-I1091 HydrophobicContact CD1-CG2 4.46Å; I1079-L1092 HydrophobicContact CD1-CD1 4.41Å; I1079-L1092 HydrophobicContact CG1-CD1 4.01Å; I1079-L1101 HydrophobicContact CD1-CD2 3.78Å; I1079-L1101 HydrophobicContact CD1-CG 3.93Å; I1079-L1101 HydrophobicContact CG1-CD2 4.3Å; I1079-L1101 HydrophobicContact CG2-CD2 3.58Å; I1079-L1104 HydrophobicContact CD1-CD2 4.47Å; I1079-F1105 HydrophobicContact CD1-CD2 4.16Å; I1079-F1105 HydrophobicContact CD1-CE1 4.3Å; I1079-F1105 HydrophobicContact CD1-CE2 3.63Å; I1079-F1105 HydrophobicContact CD1-CZ 3.5Å; I1079-F1105 VanDerWaalsContact CD1-CZ 3.41Å; I1079-F1105 HydrophobicContact CG1-CZ 4.28Å; I1079-F1107 HydrophobicContact CD1-CB 3.63Å; I1079-F1107 HydrophobicContact CD1-CD2 3.74Å; I1079-F1107 HydrophobicContact CD1-CG 3.86Å; I1079-F1108 HydrophobicContact CB-CZ 4.4Å; I1079-F1108 HydrophobicContact CD1-CE2 4.13Å; I1079-F1108 HydrophobicContact CD1-CZ 4.46Å; I1079-F1108 HydrophobicContact CG1-CE2 4.41Å; I1079-F1108 HydrophobicContact CG1-CZ 4.29Å; I1079-F1108 HydrophobicContact CG2-CE1 3.7Å; I1079-F1108 HydrophobicContact CG2-CE2 4.04Å; I1079-F1108 HydrophobicContact CG2-CZ 3.38Å; I1079-V1129 VanDerWaalsContact CG2-O 3.25Å; I1079-V1129 WeakPolarHBondContact CG2-O 3.33Å; I1079-H1130 HydrophobicContact CB-CB 3.53Å; I1079-H1130 HydrophobicContact CD1-CB 3.72Å; I1079-H1130 WeakPolarHBondContact CD1-ND1 3.08Å; I1079-H1130 HydrophobicContact CG1-CB 3.32Å; I1079-H1130 HydrophobicContact CG2-CB 3.33Å; I1079-L1131 HydrophobicContact CG2-CB 4.01Å; I1079-L1131 HydrophobicContact CG2-CD1 4.45Å; I1079-L1131 HydrophobicContact CG2-CD2 3.3Å; I1079-L1131 HydrophobicContact CG2-CG 4.1Å; I1079-E1132 CarbonylContact C-O 3.53Å; I1079-E1132 WeakPolarHBondContact CA-O 3.42Å; I1079-E1132 PolarHBondContact N-OE2 3.26Å; I1079-E1132 WeakPolarHBondContact O-CB 3.01Å; I1079-E1132 PolarHBondContact O-N 2.66Å; I1079-L1133 HydrophobicContact CD1-CD1 4.21Å; I1079-L1133 HydrophobicContact CD1-CG 4.32Å; I1079-L1133 HydrophobicContact CG1-CD1 3.85Å; I1079-L1133 HydrophobicContact CG1-CD2 3.94Å; I1079-L1133 HydrophobicContact CG1-CG 3.59Å; I1079-L1137 WeakPolarHBondContact O-CD1 3.25Å; I1079-L1137 WeakPolarHBondContact O-CD2 3.17Å; I1079-L1137 WeakPolarHBondContact O-CG 2.97Å |
| 1080 | I | 36.2 | Very low | 32.6 | Very low | 77.2 Ų | 77.2 | 89.7 Ų | 89.7 | 40% | 0.396 | 48% | 0.481 | S | S | . | . | trans | -89.9 | 117.6 | 173.2 | -56.2 | 178.3 | 0 | 0 | 0 | 108.3 | T961 Q965 R1078 V1082 E1132 F1139 | T961-I1080 HydrophobicContact CG2-CD1 4.43Å; Q965-I1080 HydrophobicContact CG-CG1 4.47Å; R1078-I1080 HydrophobicContact CB-CD1 4.32Å; R1078-I1080 HydrophobicContact CB-CG1 3.91Å; R1078-I1080 HydrophobicContact CG-CD1 4.44Å; R1078-I1080 HydrophobicContact CG-CG1 4.28Å; R1078-I1080 PolarHBondContact O-N 2.98Å; I1080-V1082 HydrophobicContact CB-CG2 4.45Å; I1080-V1082 HydrophobicContact CG2-CG2 3.82Å; I1080-V1082 PolarHBondContact O-N 3.33Å; I1080-V1082 VanDerWaalsContact O-N 3.16Å; I1080-E1132 HydrophobicContact CB-CB 4.14Å; I1080-E1132 HydrophobicContact CD1-CB 4.28Å; I1080-E1132 HydrophobicContact CG1-CB 4.47Å; I1080-E1132 VanDerWaalsContact CG1-OE2 3.31Å; I1080-E1132 WeakPolarHBondContact CG1-OE2 2.91Å; I1080-E1132 PolarHBondContact N-O 2.89Å; I1080-E1132 VanDerWaalsContact N-O 3.12Å; I1080-E1132 PolarHBondContact N-OE2 3.23Å; I1080-E1132 VanDerWaalsContact N-OE2 3.09Å; I1080-E1132 PolarHBondContact O-N 3.47Å; I1080-F1139 HydrophobicContact CB-CZ 4.35Å; I1080-F1139 HydrophobicContact CG2-CE1 4.16Å; I1080-F1139 HydrophobicContact CG2-CE2 4.07Å; I1080-F1139 HydrophobicContact CG2-CZ 3.44Å; I1080-F1139 VanDerWaalsContact CG2-CZ 3.44Å | ||
| 1081 | N | 32.5 | Very low | 32.7 | Very low | 75.4 Ų | 75.4 | 90.3 Ų | 90.3 | 40% | 0.403 | 48% | 0.483 | S | S | . | . | trans | -109.7 | 121.3 | 165 | -159.8 | 4.4 | 0 | 0 | 0 | 109.8 | Q965 G966 I1079 E1083 N1098 V1129 F1139 | Q965-N1081 WeakPolarHBondContact O-CB 3.43Å; Q965-N1081 PolarHBondContact O-N 3.45Å; G966-N1081 WeakPolarHBondContact O-CB 3.27Å; G966-N1081 PolarHBondContact O-ND2 2.78Å; I1079-N1081 HydrophobicContact CG2-CB 4.22Å; I1079-N1081 PolarHBondContact O-N 3.29Å; N1081-E1083 VanDerWaalsContact C-N 3.34Å; N1081-E1083 PolarHBondContact O-N 3.11Å; N1081-E1083 PolarHBondContact OD1-N 2.82Å; N1081-N1098 PolarHBondContact ND2-OD1 3.31Å; N1081-V1129 HydrophobicContact CB-CG1 4.48Å; N1081-F1139 VanDerWaalsContact O-CE2 3.29Å; N1081-F1139 WeakPolarHBondContact O-CE2 3.39Å | ||
| 1082 | V | 33.2 | Very low | 33 | Very low | 106.4 Ų | 106.4 | 92 Ų | 92 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | trans | -92.1 | 89.5 | -169.2 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | I1080 Q1084 F1139 | I1080-V1082 HydrophobicContact CB-CG2 4.45Å; I1080-V1082 HydrophobicContact CG2-CG2 3.82Å; I1080-V1082 PolarHBondContact O-N 3.33Å; I1080-V1082 VanDerWaalsContact O-N 3.16Å; V1082-Q1084 PolarHBondContact O-N 2.93Å; V1082-Q1084 VanDerWaalsContact O-N 3.13Å; V1082-F1139 HydrophobicContact CG2-CZ 4.44Å | ||
| 1083 | E | 30.7 | Very low | 33.4 | Very low | 124.8 Ų | 124.8 | 93.5 Ų | 93.5 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | trans | -95.5 | 87.7 | -173.5 | -84.3 | 179.1 | -176.6 | 0 | 0 | 113.7 | N1081 T1085 I1091 N1110 S1127 | N1081-E1083 VanDerWaalsContact C-N 3.34Å; N1081-E1083 PolarHBondContact O-N 3.11Å; N1081-E1083 PolarHBondContact OD1-N 2.82Å; E1083-T1085 PolarHBondContact O-N 2.66Å; E1083-I1091 HydrophobicContact CB-CD1 4.24Å; E1083-I1091 HydrophobicContact CB-CG2 4.25Å; E1083-I1091 WeakPolarHBondContact OE2-CG1 2.82Å; E1083-I1091 WeakPolarHBondContact OE2-CG2 3.25Å; E1083-N1110 PolarHBondContact OE2-ND2 2.75Å; E1083-S1127 PolarHBondContact OE2-OG 3.19Å | ||
| 1084 | Q | 29.6 | Very low | 33.5 | Very low | 153.8 Ų | 153.8 | 95.3 Ų | 95.3 | 72% | 0.719 | 50% | 0.502 | S | S | * | . | trans | -121.5 | 119.4 | 172.1 | -74.6 | -171.2 | -13.7 | 0 | 0 | 111.6 | V1082 N1086 | V1082-Q1084 PolarHBondContact O-N 2.93Å; V1082-Q1084 VanDerWaalsContact O-N 3.13Å; Q1084-N1086 PolarHBondContact O-N 3.4Å | ||
| 1085 | T | 28.4 | Very low | 33.7 | Very low | 119.2 Ų | 119.2 | 97.1 Ų | 97.1 | 73% | 0.731 | 51% | 0.514 | S | S | * | . | trans | -105.1 | 130.9 | 149.4 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | E1083 | E1083-T1085 PolarHBondContact O-N 2.66Š| ||
| 1086 | N | 28.3 | Very low | 33.6 | Very low | 153.8 Ų | 153.8 | 99.7 Ų | 99.7 | 82% | 0.822 | 53% | 0.527 | S | S | * | . | trans | 68.1 | 99.7 | 156.9 | -62.8 | -19.3 | 0 | 0 | 0 | 117.9 | Q1084 | Q1084-N1086 PolarHBondContact O-N 3.4Š| ||
| 1087 | S | 29.3 | Very low | 33.6 | Very low | 95.6 Ų | 95.6 | 100.5 Ų | 100.5 | 67% | 0.669 | 53% | 0.532 | S | S | * | . | trans | 103.4 | 108.5 | 154 | 53.4 | 0 | 0 | 0 | 0 | 116.9 | D1089 | S1087-D1089 PolarHBondContact O-N 2.96Š| ||
| 1088 | N | 27 | Very low | 33.3 | Very low | 144.4 Ų | 144.4 | 103.4 Ų | 103.4 | 77% | 0.772 | 55% | 0.548 | S | S | * | . | trans | 42.7 | 93.1 | 151.6 | -69.2 | -7.9 | 0 | 0 | 0 | 116.8 | C1090 T1463 | N1088-C1090 PolarHBondContact O-N 3.18Å; N1088-T1463 WeakPolarHBondContact ND2-CG2 3.36Å | ||
| 1089 | D | 28.3 | Very low | 33.3 | Very low | 144.4 Ų | 144.4 | 103.3 Ų | 103.3 | 77% | 0.772 | 55% | 0.552 | S | S | * | * | trans | 152.2 | 100.9 | 159.3 | -76.5 | -28.9 | 0 | 0 | 0 | 114.9 | S1087 I1091 | S1087-D1089 PolarHBondContact O-N 2.96Å; D1089-I1091 VanDerWaalsContact C-N 3.32Å; D1089-I1091 PolarHBondContact O-N 2.91Å | ||
| 1090 | C | 29.5 | Very low | 33.4 | Very low | 103.2 Ų | 103.2 | 104.7 Ų | 104.7 | 70% | 0.697 | 56% | 0.559 | S | S | * | * | trans | -49.1 | 105.6 | 162.9 | -85.6 | 0 | 0 | 0 | 0 | 116.9 | N1088 L1092 | N1088-C1090 PolarHBondContact O-N 3.18Å; C1090-L1092 PolarHBondContact O-N 3.13Å; C1090-L1092 VanDerWaalsContact O-N 3.12Å | ||
| 1091 | I | 31.4 | Very low | 33.5 | Very low | 123 Ų | 123 | 102.7 Ų | 102.7 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | trans | -19.5 | 92.1 | 156.1 | -57.7 | 168.8 | 0 | 0 | 0 | 115.2 | I1079 E1083 D1089 H1093 I1096 F1107 | I1079-I1091 HydrophobicContact CD1-CG2 4.46Å; E1083-I1091 HydrophobicContact CB-CD1 4.24Å; E1083-I1091 HydrophobicContact CB-CG2 4.25Å; E1083-I1091 WeakPolarHBondContact OE2-CG1 2.82Å; E1083-I1091 WeakPolarHBondContact OE2-CG2 3.25Å; D1089-I1091 VanDerWaalsContact C-N 3.32Å; D1089-I1091 PolarHBondContact O-N 2.91Å; I1091-H1093 PolarHBondContact O-N 3.5Å; I1091-I1096 VanDerWaalsContact O-CD1 3.27Å; I1091-I1096 WeakPolarHBondContact O-CD1 3.34Å; I1091-F1107 HydrophobicContact CG2-CD1 3.79Å; I1091-F1107 HydrophobicContact CG2-CD2 4.25Å; I1091-F1107 HydrophobicContact CG2-CE1 3.51Å; I1091-F1107 HydrophobicContact CG2-CE2 4.01Å; I1091-F1107 HydrophobicContact CG2-CG 4.16Å; I1091-F1107 HydrophobicContact CG2-CZ 3.63Å | ||
| 1092 | L | 34.7 | Very low | 33.9 | Very low | 101.6 Ų | 101.6 | 102.3 Ų | 102.3 | 53% | 0.532 | 55% | 0.549 | S | S | . | . | trans | -1.5 | 116 | 148.3 | -71.5 | 170.6 | 0 | 0 | 0 | 117.1 | L1013 R1017 L1077 I1079 C1090 H1094 L1104 L1133 | L1013-L1092 HydrophobicContact CD1-CD1 4.31Å; L1013-L1092 HydrophobicContact CD2-CB 4.12Å; L1013-L1092 HydrophobicContact CD2-CD2 4.14Å; R1017-L1092 PolarHBondContact NH2-O 3.1Å; L1077-L1092 HydrophobicContact CB-CB 4.34Å; L1077-L1092 HydrophobicContact CB-CD1 4.1Å; I1079-L1092 HydrophobicContact CD1-CD1 4.41Å; I1079-L1092 HydrophobicContact CG1-CD1 4.01Å; C1090-L1092 PolarHBondContact O-N 3.13Å; C1090-L1092 VanDerWaalsContact O-N 3.12Å; L1092-H1094 VanDerWaalsContact C-N 3.29Å; L1092-H1094 WeakPolarHBondContact O-CA 3.41Å; L1092-H1094 PolarHBondContact O-N 2.86Å; L1092-L1104 HydrophobicContact CD1-CD2 3.83Å; L1092-L1104 HydrophobicContact CD2-CD2 3.37Å; L1092-L1104 HydrophobicContact CG-CD2 4.26Å; L1092-L1133 HydrophobicContact CD1-CD2 3.6Å | ||
| 1093 | H | 35.8 | Very low | 34.3 | Very low | 123.8 Ų | 123.8 | 100.2 Ų | 100.2 | 57% | 0.573 | 53% | 0.534 | S | S | * | . | trans | -30.9 | 101.1 | 169.5 | -136.6 | -81 | 0 | 0 | 0 | 117.1 | I1091 N1095 I1096 D1097 Q1470 I1471 | I1091-H1093 PolarHBondContact O-N 3.5Å; H1093-N1095 PolarHBondContact ND1-OD1 3.08Å; H1093-N1095 VanDerWaalsContact ND1-OD1 3.16Å; H1093-N1095 PolarHBondContact O-N 3.26Å; H1093-I1096 HydrophobicContact CB-CD1 4.26Å; H1093-I1096 HydrophobicContact CB-CG1 4.45Å; H1093-I1096 VanDerWaalsContact O-CB 3.29Å; H1093-I1096 WeakPolarHBondContact O-CB 3.45Å; H1093-I1096 WeakPolarHBondContact O-CG1 3.32Å; H1093-I1096 PolarHBondContact O-N 3.05Å; H1093-D1097 PolarHBondContact N-OD2 2.99Å; H1093-Q1470 VanDerWaalsContact CA-OE1 3.26Å; H1093-Q1470 VanDerWaalsContact CD2-CD 3.49Å; H1093-Q1470 VanDerWaalsContact CD2-CG 3.42Å; H1093-Q1470 WeakPolarHBondContact CD2-CG 3.48Å; H1093-Q1470 VanDerWaalsContact CE1-C 3.46Å; H1093-Q1470 WeakPolarHBondContact NE2-CG 3.27Å; H1093-I1471 VanDerWaalsContact CE1-C 3.41Å; H1093-I1471 PolarHBondContact CE1-N 2.83Å; H1093-I1471 VanDerWaalsContact CE1-N 3.31Å | ||
| 1094 | H | 36.4 | Very low | 34.8 | Very low | 96.8 Ų | 96.8 | 95.9 Ų | 95.9 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | trans | -91 | 37.7 | 172.4 | -107.4 | -42.1 | 0 | 0 | 0 | 115.1 | V1018 N1022 Q1074 L1092 I1096 D1097 N1098 E1132 Q1470 | V1018-H1094 CarbonylContact C-O 3.32Å; V1018-H1094 WeakPolarHBondContact CB-O 3.13Å; V1018-H1094 HydrophobicContact CG1-CB 3.89Å; V1018-H1094 WeakPolarHBondContact CG1-ND1 3.43Å; V1018-H1094 WeakPolarHBondContact CG1-O 3.41Å; N1022-H1094 WeakPolarHBondContact CB-O 3.49Å; N1022-H1094 VanDerWaalsContact CG-C 3.46Å; N1022-H1094 WeakPolarHBondContact OD1-CA 3.19Å; N1022-H1094 PolarHBondContact OD1-N 3.43Å; N1022-H1094 PolarHBondContact OD1-O 3.47Å; N1022-H1094 VanDerWaalsContact OD1-O 3.13Å; Q1074-H1094 PolarHBondContact NE2-NE2 3.36Å; Q1074-H1094 VanDerWaalsContact NE2-NE2 3.17Å; Q1074-H1094 PolarHBondContact OE1-NE2 3.39Å; L1092-H1094 VanDerWaalsContact C-N 3.29Å; L1092-H1094 WeakPolarHBondContact O-CA 3.41Å; L1092-H1094 PolarHBondContact O-N 2.86Å; H1094-I1096 PolarHBondContact O-N 2.73Å; H1094-D1097 VanDerWaalsContact C-OD1 3.29Å; H1094-D1097 WeakPolarHBondContact CA-OD1 3.18Å; H1094-D1097 IonicContact ND1-OD2 2.79Å; H1094-D1097 WeakPolarHBondContact O-CB 2.95Å; H1094-D1097 PolarHBondContact O-N 3.47Å; H1094-D1097 VanDerWaalsContact O-OD1 3.08Å; H1094-N1098 PolarHBondContact ND1-ND2 3.28Å; H1094-N1098 VanDerWaalsContact ND1-ND2 3.18Å; H1094-N1098 PolarHBondContact O-ND2 2.84Å; H1094-E1132 IonicContact CD2-OE1 3.9Å; H1094-E1132 PolarHBondContact CD2-OE1 3.31Å; H1094-E1132 VanDerWaalsContact CD2-OE1 3.31Å; H1094-E1132 IonicContact CE1-OE1 3.09Å; H1094-E1132 IonicContact NE2-OE1 3.89Å; H1094-E1132 PolarHBondContact NE2-OE1 3.09Å; H1094-Q1470 CarbonylContact C-O 2.83Å; H1094-Q1470 WeakPolarHBondContact CA-O 3.22Å; H1094-Q1470 PolarHBondContact ND1-O 3.47Å | ||
| 1095 | N | 39.1 | Very low | 35.2 | Very low | 104.6 Ų | 104.6 | 92.3 Ų | 92.3 | 56% | 0.559 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -109.3 | 2.5 | -177.7 | -91.1 | -15.1 | 0 | 0 | 0 | 115.4 | V1018 Y1019 N1022 H1093 N1098 E1099 F1468 N1469 Q1470 | V1018-N1095 VanDerWaalsContact C-CA 3.42Å; Y1019-N1095 WeakPolarHBondContact CA-OD1 3.27Å; Y1019-N1095 WeakPolarHBondContact CB-OD1 3.44Å; Y1019-N1095 HydrophobicContact CD2-CB 3.95Å; N1022-N1095 HydrophobicContact CB-CB 4.45Å; N1022-N1095 WeakPolarHBondContact CB-OD1 3.45Å; N1022-N1095 WeakPolarHBondContact OD1-CB 3.43Å; N1022-N1095 PolarHBondContact OD1-N 3.35Å; N1022-N1095 VanDerWaalsContact OD1-N 3.09Å; N1022-N1095 PolarHBondContact OD1-ND2 2.94Å; N1022-N1095 PolarHBondContact OD1-OD1 2.93Å; H1093-N1095 PolarHBondContact ND1-OD1 3.08Å; H1093-N1095 VanDerWaalsContact ND1-OD1 3.16Å; H1093-N1095 PolarHBondContact O-N 3.26Å; N1095-N1098 PolarHBondContact OD1-ND2 3.48Å; N1095-E1099 PolarHBondContact O-N 3.36Å; N1095-F1468 HydrophobicContact CB-CB 4.39Å; N1095-F1468 WeakPolarHBondContact ND2-CD1 3.07Å; N1095-N1469 WeakPolarHBondContact CB-O 3.41Å; N1095-N1469 PolarHBondContact ND2-O 3.39Å; N1095-Q1470 HydrophobicContact CB-CB 3.89Å; N1095-Q1470 PolarHBondContact N-O 3.12Å; N1095-Q1470 PolarHBondContact O-N 2.77Å |
| 1096 | I | 37.7 | Very low | 35.7 | Very low | 83 Ų | 83 | 92.5 Ų | 92.5 | 43% | 0.426 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -108.4 | -21.8 | 176.9 | -69.1 | 178.6 | 0 | 0 | 0 | 112.9 | S956 L1013 E1015 L1016 V1018 Y1019 I1091 H1093 H1094 N1098 E1099 L1100 L1467 | S956-I1096 PolarHBondContact OG-O 2.91Å; L1013-I1096 HydrophobicContact CD2-CB 3.93Å; L1013-I1096 HydrophobicContact CD2-CG2 3.87Å; E1015-I1096 HydrophobicContact CB-CD1 4.46Å; E1015-I1096 HydrophobicContact CB-CG2 4.17Å; L1016-I1096 WeakPolarHBondContact CA-O 3.46Å; L1016-I1096 VanDerWaalsContact N-CG2 3.32Å; L1016-I1096 PolarHBondContact N-O 3.08Å; V1018-I1096 HydrophobicContact CG2-CB 3.66Å; V1018-I1096 HydrophobicContact CG2-CG2 3.74Å; Y1019-I1096 HydrophobicContact CE2-CB 4.46Å; Y1019-I1096 HydrophobicContact CE2-CG1 3.91Å; I1091-I1096 VanDerWaalsContact O-CD1 3.27Å; I1091-I1096 WeakPolarHBondContact O-CD1 3.34Å; H1093-I1096 HydrophobicContact CB-CD1 4.26Å; H1093-I1096 HydrophobicContact CB-CG1 4.45Å; H1093-I1096 VanDerWaalsContact O-CB 3.29Å; H1093-I1096 WeakPolarHBondContact O-CB 3.45Å; H1093-I1096 WeakPolarHBondContact O-CG1 3.32Å; H1093-I1096 PolarHBondContact O-N 3.05Å; H1094-I1096 PolarHBondContact O-N 2.73Å; I1096-N1098 VanDerWaalsContact C-N 3.29Å; I1096-N1098 PolarHBondContact O-N 3.27Å; I1096-N1098 VanDerWaalsContact O-N 3.07Å; I1096-E1099 HydrophobicContact CG2-CB 3.83Å; I1096-E1099 HydrophobicContact CG2-CG 3.54Å; I1096-E1099 VanDerWaalsContact O-CB 3.29Å; I1096-E1099 WeakPolarHBondContact O-CB 3.24Å; I1096-E1099 PolarHBondContact O-N 3.08Å; I1096-E1099 VanDerWaalsContact O-N 3.16Å; I1096-L1100 PolarHBondContact O-N 2.77Å; I1096-L1100 VanDerWaalsContact O-N 3.08Å; I1096-L1467 CarbonylContact C-O 3.59Å; I1096-L1467 WeakPolarHBondContact CA-O 3.47Å |
| 1097 | D | 38.8 | Very low | 36.3 | Very low | 49 Ų | 49 | 89.3 Ų | 89.3 | 26% | 0.262 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -7.7 | 178.2 | -49.5 | -22.4 | 0 | 0 | 0 | 116.9 | S956 T1012 G1014 L1016 R1017 V1018 Y1019 L1020 L1021 H1093 H1094 L1100 L1101 L1467 | S956-D1097 WeakPolarHBondContact CB-OD1 3.02Å; S956-D1097 VanDerWaalsContact OG-CA 3.22Å; S956-D1097 WeakPolarHBondContact OG-CA 3.11Å; S956-D1097 PolarHBondContact OG-N 2.84Å; S956-D1097 PolarHBondContact OG-OD1 2.89Å; T1012-D1097 WeakPolarHBondContact CB-O 3.47Å; T1012-D1097 PolarHBondContact OG1-O 2.97Å; G1014-D1097 WeakPolarHBondContact CA-OD2 3.17Å; G1014-D1097 PolarHBondContact N-O 3.33Å; L1016-D1097 VanDerWaalsContact CA-CB 3.46Å; L1016-D1097 HydrophobicContact CB-CB 3.47Å; L1016-D1097 VanDerWaalsContact CB-CB 3.47Å; L1016-D1097 HydrophobicContact CD1-CB 4.3Å; L1016-D1097 HydrophobicContact CD2-CB 3.57Å; L1016-D1097 VanDerWaalsContact CD2-OD1 3.3Å; L1016-D1097 WeakPolarHBondContact CD2-OD1 3.49Å; L1016-D1097 HydrophobicContact CG-CB 3.11Å; R1017-D1097 WeakPolarHBondContact CA-OD1 3.24Å; R1017-D1097 IonicContact CZ-OD1 2.69Å; R1017-D1097 PolarHBondContact N-OD1 3.15Å; R1017-D1097 IonicContact NH1-OD1 2.69Å; R1017-D1097 PolarHBondContact NH1-OD1 2.83Å; R1017-D1097 IonicContact NH1-OD2 2.76Å; R1017-D1097 PolarHBondContact NH1-OD2 3.01Å; R1017-D1097 IonicContact NH2-OD1 2.64Å; R1017-D1097 PolarHBondContact NH2-OD1 2.91Å; V1018-D1097 VanDerWaalsContact C-N 3.31Å; V1018-D1097 WeakPolarHBondContact CA-OD2 3.04Å; V1018-D1097 PolarHBondContact N-OD2 2.99Å; Y1019-D1097 VanDerWaalsContact C-CA 3.41Å; Y1019-D1097 CarbonylContact C-O 3.37Å; Y1019-D1097 VanDerWaalsContact CA-CA 3.48Å; Y1019-D1097 WeakPolarHBondContact CD1-O 3.5Å; Y1019-D1097 PolarHBondContact N-OD2 3.33Å; Y1019-D1097 VanDerWaalsContact N-OD2 3.17Å; L1020-D1097 WeakPolarHBondContact CA-OD2 2.99Å; L1020-D1097 HydrophobicContact CB-CB 3.79Å; L1020-D1097 HydrophobicContact CD1-CB 4.28Å; L1020-D1097 HydrophobicContact CG-CB 3.92Å; L1020-D1097 VanDerWaalsContact N-CA 3.26Å; L1020-D1097 PolarHBondContact N-O 3.34Å; L1020-D1097 VanDerWaalsContact N-O 3.16Å; L1020-D1097 PolarHBondContact N-OD2 2.87Å; L1021-D1097 VanDerWaalsContact CB-OD2 3.3Å; L1021-D1097 WeakPolarHBondContact CB-OD2 3.2Å; L1021-D1097 PolarHBondContact N-OD2 3.39Å; H1093-D1097 PolarHBondContact N-OD2 2.99Å; H1094-D1097 VanDerWaalsContact C-OD1 3.29Å; H1094-D1097 WeakPolarHBondContact CA-OD1 3.18Å; H1094-D1097 IonicContact ND1-OD2 2.79Å; H1094-D1097 WeakPolarHBondContact O-CB 2.95Å; H1094-D1097 PolarHBondContact O-N 3.47Å; H1094-D1097 VanDerWaalsContact O-OD1 3.08Å; D1097-L1100 WeakPolarHBondContact O-CB 3.48Å; D1097-L1100 PolarHBondContact O-N 3.28Å; D1097-L1101 PolarHBondContact O-N 3.08Å; D1097-L1467 CarbonylContact C-O 3.32Å; D1097-L1467 PolarHBondContact N-O 3.4Å |
| 1098 | N | 35.3 | Very low | 36.7 | Very low | 74.4 Ų | 74.4 | 87 Ų | 87 | 40% | 0.398 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -89.9 | -15.5 | 168.8 | -80.3 | -43.7 | 0 | 0 | 0 | 115.5 | L960 L1005 L1016 Y1019 L1020 N1081 H1094 N1095 I1096 L1100 L1101 V1102 N1465 N1466 L1467 | L960-N1098 HydrophobicContact CD2-CB 4.28Å; L960-N1098 VanDerWaalsContact CD2-CG 3.42Å; L960-N1098 WeakPolarHBondContact CD2-ND2 3.16Å; L960-N1098 WeakPolarHBondContact CD2-OD1 3.45Å; L1005-N1098 HydrophobicContact CD1-CB 4.11Å; L1005-N1098 WeakPolarHBondContact CD1-ND2 3.44Å; L1016-N1098 VanDerWaalsContact CD1-C 3.42Å; L1016-N1098 VanDerWaalsContact CD1-CA 3.5Å; Y1019-N1098 HydrophobicContact CD1-CB 3.56Å; Y1019-N1098 VanDerWaalsContact CE1-CA 3.5Å; Y1019-N1098 HydrophobicContact CE1-CB 3.45Å; Y1019-N1098 VanDerWaalsContact CE1-CB 3.45Å; L1020-N1098 WeakPolarHBondContact CD2-ND2 3.19Å; L1020-N1098 WeakPolarHBondContact CG-ND2 3.27Å; N1081-N1098 PolarHBondContact ND2-OD1 3.31Å; H1094-N1098 PolarHBondContact ND1-ND2 3.28Å; H1094-N1098 VanDerWaalsContact ND1-ND2 3.18Å; H1094-N1098 PolarHBondContact O-ND2 2.84Å; N1095-N1098 PolarHBondContact OD1-ND2 3.48Å; I1096-N1098 VanDerWaalsContact C-N 3.29Å; I1096-N1098 PolarHBondContact O-N 3.27Å; I1096-N1098 VanDerWaalsContact O-N 3.07Å; N1098-L1100 VanDerWaalsContact C-N 3.31Å; N1098-L1100 PolarHBondContact O-N 3.48Å; N1098-L1101 WeakPolarHBondContact O-CB 3.47Å; N1098-L1101 PolarHBondContact O-N 3.29Å; N1098-V1102 WeakPolarHBondContact O-CB 3.08Å; N1098-V1102 VanDerWaalsContact O-CG2 3.26Å; N1098-V1102 WeakPolarHBondContact O-CG2 3.12Å; N1098-V1102 PolarHBondContact O-N 3.08Å; N1098-V1102 VanDerWaalsContact O-N 3.08Å; N1098-N1465 PolarHBondContact O-OD1 3.04Å; N1098-N1466 WeakPolarHBondContact CB-O 3.07Å; N1098-L1467 PolarHBondContact N-O 3.16Å |
| 1099 | E | 38.8 | Very low | 37.1 | Very low | 91.4 Ų | 91.4 | 84.6 Ų | 84.6 | 43% | 0.427 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -83.1 | -23.5 | 173.9 | -140.4 | -174.7 | -171.6 | 0 | 0 | 113.5 | W953 L1011 T1012 L1013 E1015 L1016 N1095 I1096 L1101 V1102 N1103 N1465 | W953-E1099 VanDerWaalsContact CH2-CD 3.48Å; W953-E1099 HydrophobicContact CH2-CG 4.09Å; L1011-E1099 WeakPolarHBondContact CA-OE2 3.01Å; L1011-E1099 HydrophobicContact CB-CB 3.64Å; L1011-E1099 VanDerWaalsContact CB-OE2 3.25Å; L1011-E1099 WeakPolarHBondContact CB-OE2 3.23Å; L1011-E1099 HydrophobicContact CD2-CB 3.81Å; L1011-E1099 HydrophobicContact CG-CB 4.09Å; L1011-E1099 PolarHBondContact N-OE2 3.34Å; L1011-E1099 WeakPolarHBondContact O-CB 2.99Å; L1011-E1099 VanDerWaalsContact O-OE2 3.12Å; T1012-E1099 CarbonylContact C-O 3.59Å; T1012-E1099 WeakPolarHBondContact CA-O 3.47Å; T1012-E1099 WeakPolarHBondContact CB-O 3.36Å; T1012-E1099 CarbonylContact O-C 3.6Å; L1013-E1099 PolarHBondContact N-O 3.29Å; E1015-E1099 CarbonylContact O-C 3.34Å; E1015-E1099 PolarHBondContact O-N 3.23Å; L1016-E1099 VanDerWaalsContact CB-N 3.33Å; N1095-E1099 PolarHBondContact O-N 3.36Å; I1096-E1099 HydrophobicContact CG2-CB 3.83Å; I1096-E1099 HydrophobicContact CG2-CG 3.54Å; I1096-E1099 VanDerWaalsContact O-CB 3.29Å; I1096-E1099 WeakPolarHBondContact O-CB 3.24Å; I1096-E1099 PolarHBondContact O-N 3.08Å; I1096-E1099 VanDerWaalsContact O-N 3.16Å; E1099-L1101 VanDerWaalsContact C-N 3.34Å; E1099-L1101 PolarHBondContact O-N 2.8Å; E1099-V1102 HydrophobicContact CG-CB 4.19Å; E1099-V1102 CarbonylContact O-C 3.57Å; E1099-V1102 WeakPolarHBondContact O-CA 3.19Å; E1099-V1102 PolarHBondContact O-N 3.17Å; E1099-N1103 HydrophobicContact CB-CB 4.39Å; E1099-N1103 HydrophobicContact CG-CB 3.88Å; E1099-N1103 WeakPolarHBondContact O-CB 3.15Å; E1099-N1103 PolarHBondContact O-N 2.89Å; E1099-N1103 PolarHBondContact O-ND2 3.04Å; E1099-N1103 PolarHBondContact OE1-ND2 3.22Å; E1099-N1103 VanDerWaalsContact OE1-ND2 3.11Å; E1099-N1103 PolarHBondContact OE2-ND2 3.27Å; E1099-N1103 VanDerWaalsContact OE2-ND2 3.12Å; E1099-N1465 VanDerWaalsContact CD-OD1 3.25Å; E1099-N1465 HydrophobicContact CG-CB 4.35Å; E1099-N1465 VanDerWaalsContact CG-CG 3.48Å; E1099-N1465 WeakPolarHBondContact CG-OD1 2.97Å; E1099-N1465 VanDerWaalsContact OE1-CB 3.23Å; E1099-N1465 WeakPolarHBondContact OE1-CB 3.47Å; E1099-N1465 VanDerWaalsContact OE1-CG 3.25Å; E1099-N1465 PolarHBondContact OE2-ND2 2.92Å |
| 1100 | L | 39.8 | Very low | 37.4 | Very low | 52 Ų | 52 | 83 Ų | 83 | 27% | 0.272 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.8 | -15.3 | 171 | -116.9 | 163 | 0 | 0 | 0 | 113 | W953 G955 S956 F958 H1008 G1009 T1012 L1013 E1015 L1016 R1017 I1096 D1097 N1098 V1102 N1103 L1104 | W953-L1100 HydrophobicContact CZ2-CD1 3.92Å; G955-L1100 VanDerWaalsContact CA-CD1 3.41Å; G955-L1100 WeakPolarHBondContact O-CD1 3.48Å; S956-L1100 VanDerWaalsContact N-CD1 3.33Å; S956-L1100 VanDerWaalsContact O-CB 3.25Å; S956-L1100 WeakPolarHBondContact O-CB 3.37Å; S956-L1100 VanDerWaalsContact O-CD1 3.3Å; S956-L1100 WeakPolarHBondContact O-CD1 3.42Å; S956-L1100 WeakPolarHBondContact O-CD2 3.35Å; S956-L1100 WeakPolarHBondContact O-CG 3.46Å; F958-L1100 HydrophobicContact CD1-CD2 3.46Å; F958-L1100 VanDerWaalsContact CD1-CD2 3.46Å; F958-L1100 HydrophobicContact CE1-CD2 3.81Å; H1008-L1100 HydrophobicContact CB-CD1 3.97Å; G1009-L1100 VanDerWaalsContact CA-CG 3.49Å; G1009-L1100 WeakPolarHBondContact CA-O 2.94Å; T1012-L1100 HydrophobicContact CG2-CD2 4.34Å; T1012-L1100 VanDerWaalsContact O-CA 3.26Å; T1012-L1100 WeakPolarHBondContact O-CA 3.26Å; T1012-L1100 WeakPolarHBondContact O-CB 3.22Å; T1012-L1100 PolarHBondContact O-N 2.84Å; L1013-L1100 HydrophobicContact CB-CG 4.19Å; L1013-L1100 HydrophobicContact CD1-CD2 4.44Å; L1013-L1100 HydrophobicContact CD2-CD1 4.48Å; L1013-L1100 HydrophobicContact CD2-CD2 3.73Å; L1013-L1100 HydrophobicContact CD2-CG 3.82Å; L1013-L1100 HydrophobicContact CG-CB 4.5Å; L1013-L1100 HydrophobicContact CG-CD2 3.63Å; L1013-L1100 HydrophobicContact CG-CG 3.63Å; E1015-L1100 WeakPolarHBondContact O-CB 3.06Å; E1015-L1100 PolarHBondContact O-N 2.83Å; L1016-L1100 HydrophobicContact CB-CB 3.46Å; L1016-L1100 VanDerWaalsContact CB-CB 3.46Å; L1016-L1100 HydrophobicContact CD2-CB 4.08Å; L1016-L1100 HydrophobicContact CG-CB 4.14Å; L1016-L1100 WeakPolarHBondContact O-CD1 3.48Å; R1017-L1100 PolarHBondContact NH2-O 2.91Å; I1096-L1100 PolarHBondContact O-N 2.77Å; I1096-L1100 VanDerWaalsContact O-N 3.08Å; D1097-L1100 WeakPolarHBondContact O-CB 3.48Å; D1097-L1100 PolarHBondContact O-N 3.28Å; N1098-L1100 VanDerWaalsContact C-N 3.31Å; N1098-L1100 PolarHBondContact O-N 3.48Å; L1100-V1102 VanDerWaalsContact C-N 3.33Å; L1100-V1102 HydrophobicContact CB-CG1 3.78Å; L1100-V1102 HydrophobicContact CD1-CG1 4.38Å; L1100-V1102 PolarHBondContact O-N 3.07Å; L1100-V1102 VanDerWaalsContact O-N 3.14Å; L1100-N1103 WeakPolarHBondContact O-CB 3.2Å; L1100-N1103 PolarHBondContact O-N 3.13Å; L1100-L1104 PolarHBondContact O-N 3.18Å |
| 1101 | L | 39.8 | Very low | 37.7 | Very low | 36.4 Ų | 36.4 | 81.4 Ų | 81.4 | 19% | 0.191 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -78.5 | -28.7 | -179.9 | -128.6 | 115.4 | 0 | 0 | 0 | 111.3 | F958 L960 V1007 G1009 L1011 L1013 L1016 R1017 L1020 L1075 I1079 D1097 N1098 E1099 N1103 L1104 F1105 L1137 | F958-L1101 HydrophobicContact CB-CD1 4.48Å; F958-L1101 HydrophobicContact CB-CG 4.18Å; F958-L1101 HydrophobicContact CD1-CB 4.46Å; F958-L1101 HydrophobicContact CD1-CD2 4.09Å; F958-L1101 HydrophobicContact CD1-CG 3.77Å; F958-L1101 HydrophobicContact CD2-CD2 3.46Å; F958-L1101 VanDerWaalsContact CD2-CD2 3.46Å; F958-L1101 HydrophobicContact CD2-CG 3.87Å; F958-L1101 HydrophobicContact CE1-CB 4.41Å; F958-L1101 HydrophobicContact CE1-CD2 3.99Å; F958-L1101 HydrophobicContact CE1-CG 4Å; F958-L1101 HydrophobicContact CE2-CD2 3.75Å; F958-L1101 HydrophobicContact CE2-CG 4.1Å; F958-L1101 HydrophobicContact CG-CD1 4.45Å; F958-L1101 HydrophobicContact CG-CD2 3.82Å; F958-L1101 HydrophobicContact CG-CG 3.67Å; F958-L1101 HydrophobicContact CZ-CD2 3.62Å; F958-L1101 HydrophobicContact CZ-CG 4.07Å; L960-L1101 HydrophobicContact CD2-CD2 4.37Å; V1007-L1101 HydrophobicContact CB-CD2 4.09Å; V1007-L1101 HydrophobicContact CG2-CD2 3.65Å; G1009-L1101 PolarHBondContact O-N 2.95Å; L1011-L1101 HydrophobicContact CD2-CD2 4.45Å; L1011-L1101 WeakPolarHBondContact O-CB 3.41Å; L1011-L1101 PolarHBondContact O-N 3.32Å; L1013-L1101 HydrophobicContact CD1-CD1 4.08Å; L1016-L1101 HydrophobicContact CD1-CB 3.09Å; L1016-L1101 HydrophobicContact CD1-CD1 4.48Å; L1016-L1101 HydrophobicContact CD1-CG 4.34Å; L1016-L1101 VanDerWaalsContact CD1-N 3.3Å; L1016-L1101 HydrophobicContact CD2-CB 3.59Å; L1016-L1101 HydrophobicContact CD2-CD1 3.58Å; L1016-L1101 VanDerWaalsContact CD2-CD1 3.47Å; L1016-L1101 HydrophobicContact CD2-CD2 4.23Å; L1016-L1101 HydrophobicContact CD2-CG 4.27Å; L1016-L1101 HydrophobicContact CG-CB 4.05Å; R1017-L1101 VanDerWaalsContact NH2-CD2 3.31Å; R1017-L1101 VanDerWaalsContact NH2-CG 3.33Å; L1020-L1101 HydrophobicContact CD1-CD1 4.1Å; L1075-L1101 HydrophobicContact CD2-CD1 3.87Å; I1079-L1101 HydrophobicContact CD1-CD2 3.78Å; I1079-L1101 HydrophobicContact CD1-CG 3.93Å; I1079-L1101 HydrophobicContact CG1-CD2 4.3Å; I1079-L1101 HydrophobicContact CG2-CD2 3.58Å; D1097-L1101 PolarHBondContact O-N 3.08Å; N1098-L1101 WeakPolarHBondContact O-CB 3.47Å; N1098-L1101 PolarHBondContact O-N 3.29Å; E1099-L1101 VanDerWaalsContact C-N 3.34Å; E1099-L1101 PolarHBondContact O-N 2.8Å; L1101-N1103 VanDerWaalsContact C-N 3.3Å; L1101-N1103 PolarHBondContact O-N 2.96Å; L1101-L1104 HydrophobicContact CD1-CD1 3.39Å; L1101-L1104 HydrophobicContact CD1-CG 4.03Å; L1101-L1104 HydrophobicContact CG-CD1 4.05Å; L1101-L1104 WeakPolarHBondContact O-CA 3.02Å; L1101-L1104 VanDerWaalsContact O-CB 3.31Å; L1101-L1104 WeakPolarHBondContact O-CB 3.25Å; L1101-L1104 WeakPolarHBondContact O-CG 3.46Å; L1101-L1104 PolarHBondContact O-N 2.96Å; L1101-L1104 VanDerWaalsContact O-N 3.1Å; L1101-F1105 HydrophobicContact CB-CD2 4.44Å; L1101-F1105 HydrophobicContact CB-CE2 4.23Å; L1101-F1105 HydrophobicContact CB-CZ 4.46Å; L1101-F1105 HydrophobicContact CD2-CE2 3.98Å; L1101-F1105 HydrophobicContact CD2-CZ 3.88Å; L1101-F1105 HydrophobicContact CG-CD2 4.42Å; L1101-F1105 HydrophobicContact CG-CE1 4.47Å; L1101-F1105 HydrophobicContact CG-CE2 3.97Å; L1101-F1105 HydrophobicContact CG-CZ 3.64Å; L1101-F1105 VanDerWaalsContact O-CD2 3.24Å; L1101-F1105 WeakPolarHBondContact O-CD2 3.17Å; L1101-F1105 WeakPolarHBondContact O-CE2 2.9Å; L1101-F1105 PolarHBondContact O-N 3.5Å; L1101-L1137 HydrophobicContact CD2-CD1 4.32Å |
| 1102 | V | 40.3 | Very low | 37.9 | Very low | 67.6 Ų | 67.6 | 78.7 Ų | 78.7 | 41% | 0.41 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -79.6 | -44 | 172.3 | 161.2 | 0 | 0 | 0 | 0 | 111.8 | G1009 N1098 E1099 L1100 L1104 F1105 L1106 F1169 | G1009-V1102 PolarHBondContact O-N 3.41Å; N1098-V1102 WeakPolarHBondContact O-CB 3.08Å; N1098-V1102 VanDerWaalsContact O-CG2 3.26Å; N1098-V1102 WeakPolarHBondContact O-CG2 3.12Å; N1098-V1102 PolarHBondContact O-N 3.08Å; N1098-V1102 VanDerWaalsContact O-N 3.08Å; E1099-V1102 HydrophobicContact CG-CB 4.19Å; E1099-V1102 CarbonylContact O-C 3.57Å; E1099-V1102 WeakPolarHBondContact O-CA 3.19Å; E1099-V1102 PolarHBondContact O-N 3.17Å; L1100-V1102 VanDerWaalsContact C-N 3.33Å; L1100-V1102 HydrophobicContact CB-CG1 3.78Å; L1100-V1102 HydrophobicContact CD1-CG1 4.38Å; L1100-V1102 PolarHBondContact O-N 3.07Å; L1100-V1102 VanDerWaalsContact O-N 3.14Å; V1102-L1104 PolarHBondContact O-N 3.16Å; V1102-L1104 VanDerWaalsContact O-N 3.14Å; V1102-F1105 HydrophobicContact CB-CE2 4.29Å; V1102-F1105 HydrophobicContact CG2-CD2 3.77Å; V1102-F1105 HydrophobicContact CG2-CE2 3.62Å; V1102-F1105 WeakPolarHBondContact O-CB 3.31Å; V1102-F1105 VanDerWaalsContact O-CD2 3.28Å; V1102-F1105 WeakPolarHBondContact O-CD2 3.48Å; V1102-F1105 WeakPolarHBondContact O-CG 3.5Å; V1102-F1105 PolarHBondContact O-N 3.12Å; V1102-L1106 HydrophobicContact CG1-CD1 3.94Å; V1102-L1106 HydrophobicContact CG1-CG 4.36Å; V1102-L1106 WeakPolarHBondContact O-CB 3.33Å; V1102-L1106 VanDerWaalsContact O-CG 3.24Å; V1102-L1106 WeakPolarHBondContact O-CG 3.48Å; V1102-L1106 PolarHBondContact O-N 3.21Å; V1102-F1169 HydrophobicContact CG1-CE2 4.11Å; V1102-F1169 HydrophobicContact CG1-CZ 4.14Å; V1102-F1169 HydrophobicContact CG2-CE2 4.33Å |
| 1103 | N | 40.7 | Very low | 37.8 | Very low | 60.4 Ų | 60.4 | 81.9 Ų | 81.9 | 32% | 0.323 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.1 | -22.9 | -177.8 | -88.6 | -34 | 0 | 0 | 0 | 113.1 | G1009 N1010 L1011 L1013 E1099 L1100 L1101 F1105 L1106 F1107 | G1009-N1103 WeakPolarHBondContact O-CB 2.85Å; G1009-N1103 PolarHBondContact O-ND2 2.86Å; N1010-N1103 WeakPolarHBondContact CA-ND2 3.47Å; N1010-N1103 PolarHBondContact OD1-ND2 3.36Å; L1011-N1103 WeakPolarHBondContact O-CB 3.1Å; L1011-N1103 PolarHBondContact O-ND2 2.79Å; L1011-N1103 VanDerWaalsContact O-ND2 3.1Å; L1013-N1103 WeakPolarHBondContact CD1-O 3.19Å; E1099-N1103 HydrophobicContact CB-CB 4.39Å; E1099-N1103 HydrophobicContact CG-CB 3.88Å; E1099-N1103 WeakPolarHBondContact O-CB 3.15Å; E1099-N1103 PolarHBondContact O-N 2.89Å; E1099-N1103 PolarHBondContact O-ND2 3.04Å; E1099-N1103 PolarHBondContact OE1-ND2 3.22Å; E1099-N1103 VanDerWaalsContact OE1-ND2 3.11Å; E1099-N1103 PolarHBondContact OE2-ND2 3.27Å; E1099-N1103 VanDerWaalsContact OE2-ND2 3.12Å; L1100-N1103 WeakPolarHBondContact O-CB 3.2Å; L1100-N1103 PolarHBondContact O-N 3.13Å; L1101-N1103 VanDerWaalsContact C-N 3.3Å; L1101-N1103 PolarHBondContact O-N 2.96Å; N1103-F1105 PolarHBondContact O-N 3.04Å; N1103-L1106 WeakPolarHBondContact O-CD1 3.19Å; N1103-L1106 PolarHBondContact O-N 3.21Å; N1103-F1107 WeakPolarHBondContact O-CD2 3.3Å; N1103-F1107 VanDerWaalsContact O-CE2 3.3Å; N1103-F1107 WeakPolarHBondContact O-CE2 3.47Å |
| 1104 | L | 41.2 | Very low | 37.6 | Very low | 35.2 Ų | 35.2 | 80.3 Ų | 80.3 | 18% | 0.184 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -86.7 | -18.8 | 171.7 | -100.1 | 141.6 | 0 | 0 | 0 | 113.8 | F958 L960 V1007 G1009 L1013 L1016 I1079 L1092 L1100 L1101 V1102 L1106 F1107 F1108 L1133 | F958-L1104 HydrophobicContact CE1-CB 3.6Å; F958-L1104 HydrophobicContact CE1-CD1 3.95Å; F958-L1104 HydrophobicContact CE1-CD2 3.83Å; F958-L1104 HydrophobicContact CE1-CG 3.97Å; F958-L1104 HydrophobicContact CE2-CD2 4.45Å; F958-L1104 HydrophobicContact CZ-CB 3.54Å; F958-L1104 HydrophobicContact CZ-CD1 4.45Å; F958-L1104 HydrophobicContact CZ-CD2 3.49Å; F958-L1104 VanDerWaalsContact CZ-CD2 3.49Å; F958-L1104 HydrophobicContact CZ-CG 3.98Å; L960-L1104 HydrophobicContact CB-CD2 4.13Å; L960-L1104 HydrophobicContact CD1-CD2 3.74Å; L960-L1104 HydrophobicContact CD2-CD2 3.63Å; L960-L1104 HydrophobicContact CG-CD2 3.97Å; V1007-L1104 HydrophobicContact CB-CD1 3.49Å; V1007-L1104 VanDerWaalsContact CB-CD1 3.49Å; V1007-L1104 HydrophobicContact CB-CD2 3.42Å; V1007-L1104 VanDerWaalsContact CB-CD2 3.42Å; V1007-L1104 HydrophobicContact CB-CG 3.99Å; V1007-L1104 HydrophobicContact CG1-CD1 3.47Å; V1007-L1104 VanDerWaalsContact CG1-CD1 3.47Å; V1007-L1104 HydrophobicContact CG1-CD2 3.88Å; V1007-L1104 HydrophobicContact CG1-CG 4.08Å; V1007-L1104 HydrophobicContact CG2-CD2 3.52Å; G1009-L1104 VanDerWaalsContact CA-CD1 3.42Å; L1013-L1104 HydrophobicContact CB-CB 3.23Å; L1013-L1104 HydrophobicContact CB-CD1 4.47Å; L1013-L1104 HydrophobicContact CD1-CD1 4.38Å; L1013-L1104 HydrophobicContact CD1-CD2 4.1Å; L1013-L1104 WeakPolarHBondContact CD1-O 3.16Å; L1013-L1104 WeakPolarHBondContact CD2-O 2.92Å; L1013-L1104 WeakPolarHBondContact CG-O 3.34Å; L1016-L1104 HydrophobicContact CD2-CD2 3.63Å; L1016-L1104 HydrophobicContact CD2-CG 3.99Å; I1079-L1104 HydrophobicContact CD1-CD2 4.47Å; L1092-L1104 HydrophobicContact CD1-CD2 3.83Å; L1092-L1104 HydrophobicContact CD2-CD2 3.37Å; L1092-L1104 HydrophobicContact CG-CD2 4.26Å; L1100-L1104 PolarHBondContact O-N 3.18Å; L1101-L1104 HydrophobicContact CD1-CD1 3.39Å; L1101-L1104 HydrophobicContact CD1-CG 4.03Å; L1101-L1104 HydrophobicContact CG-CD1 4.05Å; L1101-L1104 WeakPolarHBondContact O-CA 3.02Å; L1101-L1104 VanDerWaalsContact O-CB 3.31Å; L1101-L1104 WeakPolarHBondContact O-CB 3.25Å; L1101-L1104 WeakPolarHBondContact O-CG 3.46Å; L1101-L1104 PolarHBondContact O-N 2.96Å; L1101-L1104 VanDerWaalsContact O-N 3.1Å; V1102-L1104 PolarHBondContact O-N 3.16Å; V1102-L1104 VanDerWaalsContact O-N 3.14Å; L1104-L1106 VanDerWaalsContact C-N 3.28Å; L1104-L1106 HydrophobicContact CD2-CB 3.96Å; L1104-L1106 CarbonylContact O-C 3.12Å; L1104-L1106 VanDerWaalsContact O-C 3.25Å; L1104-L1106 PolarHBondContact O-N 3.27Å; L1104-L1106 VanDerWaalsContact O-N 3.15Å; L1104-F1107 HydrophobicContact CB-CD2 4.15Å; L1104-F1107 HydrophobicContact CD1-CE2 4.11Å; L1104-F1107 HydrophobicContact CD2-CD2 4.27Å; L1104-F1107 HydrophobicContact CD2-CE2 4.28Å; L1104-F1107 WeakPolarHBondContact O-CD2 3.19Å; L1104-F1107 PolarHBondContact O-N 3.04Å; L1104-F1107 VanDerWaalsContact O-N 3.12Å; L1104-F1108 HydrophobicContact CD2-CE2 4.33Å; L1104-F1108 VanDerWaalsContact O-CD2 3.26Å; L1104-F1108 WeakPolarHBondContact O-CD2 3.4Å; L1104-F1108 WeakPolarHBondContact O-CE2 3.49Å; L1104-L1133 HydrophobicContact CD1-CD1 3.98Å; L1104-L1133 HydrophobicContact CD1-CD2 4.36Å |
| 1105 | F | 38 | Very low | 37.5 | Very low | 78 Ų | 78 | 79.6 Ų | 79.6 | 34% | 0.342 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.6 | -27.3 | 173.8 | -85 | -48.7 | 0 | 0 | 0 | 112.2 | F958 L1077 I1079 L1101 V1102 N1103 F1107 F1108 W1111 F1115 L1131 A1135 L1137 | F958-F1105 AromaticContact CD1-CZ 3.93Å; F958-F1105 HydrophobicContact CD1-CZ 3.93Å; F958-F1105 HydrophobicContact CE1-CE1 4.11Å; F958-F1105 AromaticContact CE1-CZ 3.53Å; F958-F1105 HydrophobicContact CE1-CZ 3.53Å; F958-F1105 HydrophobicContact CE2-CE1 4.13Å; F958-F1105 HydrophobicContact CE2-CZ 4.31Å; F958-F1105 HydrophobicContact CG-CZ 4.46Å; F958-F1105 AromaticContact CZ-CE1 3.8Å; F958-F1105 HydrophobicContact CZ-CE1 3.8Å; F958-F1105 AromaticContact CZ-CZ 3.73Å; F958-F1105 HydrophobicContact CZ-CZ 3.73Å; L1077-F1105 HydrophobicContact CD2-CD1 4.14Å; L1077-F1105 HydrophobicContact CD2-CE1 3.73Å; L1077-F1105 HydrophobicContact CD2-CZ 4.5Å; I1079-F1105 HydrophobicContact CD1-CD2 4.16Å; I1079-F1105 HydrophobicContact CD1-CE1 4.3Å; I1079-F1105 HydrophobicContact CD1-CE2 3.63Å; I1079-F1105 HydrophobicContact CD1-CZ 3.5Å; I1079-F1105 VanDerWaalsContact CD1-CZ 3.41Å; I1079-F1105 HydrophobicContact CG1-CZ 4.28Å; L1101-F1105 HydrophobicContact CB-CD2 4.44Å; L1101-F1105 HydrophobicContact CB-CE2 4.23Å; L1101-F1105 HydrophobicContact CB-CZ 4.46Å; L1101-F1105 HydrophobicContact CD2-CE2 3.98Å; L1101-F1105 HydrophobicContact CD2-CZ 3.88Å; L1101-F1105 HydrophobicContact CG-CD2 4.42Å; L1101-F1105 HydrophobicContact CG-CE1 4.47Å; L1101-F1105 HydrophobicContact CG-CE2 3.97Å; L1101-F1105 HydrophobicContact CG-CZ 3.64Å; L1101-F1105 VanDerWaalsContact O-CD2 3.24Å; L1101-F1105 WeakPolarHBondContact O-CD2 3.17Å; L1101-F1105 WeakPolarHBondContact O-CE2 2.9Å; L1101-F1105 PolarHBondContact O-N 3.5Å; V1102-F1105 HydrophobicContact CB-CE2 4.29Å; V1102-F1105 HydrophobicContact CG2-CD2 3.77Å; V1102-F1105 HydrophobicContact CG2-CE2 3.62Å; V1102-F1105 WeakPolarHBondContact O-CB 3.31Å; V1102-F1105 VanDerWaalsContact O-CD2 3.28Å; V1102-F1105 WeakPolarHBondContact O-CD2 3.48Å; V1102-F1105 WeakPolarHBondContact O-CG 3.5Å; V1102-F1105 PolarHBondContact O-N 3.12Å; N1103-F1105 PolarHBondContact O-N 3.04Å; F1105-F1107 VanDerWaalsContact C-N 3.27Å; F1105-F1107 PolarHBondContact O-N 3.08Å; F1105-F1107 VanDerWaalsContact O-N 3.17Å; F1105-F1108 HydrophobicContact CD1-CD2 4.27Å; F1105-F1108 HydrophobicContact CD1-CE2 4.33Å; F1105-F1108 WeakPolarHBondContact O-CB 2.78Å; F1105-F1108 PolarHBondContact O-N 3.32Å; F1105-W1111 HydrophobicContact CB-CH2 4.31Å; F1105-W1111 HydrophobicContact CB-CZ2 4.44Å; F1105-W1111 HydrophobicContact CB-CZ3 4.4Å; F1105-W1111 AromaticContact CD1-CH2 3.44Å; F1105-W1111 HydrophobicContact CD1-CH2 3.44Å; F1105-W1111 VanDerWaalsContact CD1-CH2 3.44Å; F1105-W1111 HydrophobicContact CD1-CZ2 4.07Å; F1105-W1111 AromaticContact CD1-CZ3 3.94Å; F1105-W1111 HydrophobicContact CD1-CZ3 3.94Å; F1105-W1111 HydrophobicContact CD2-CH2 4.16Å; F1105-W1111 AromaticContact CD2-CZ2 3.93Å; F1105-W1111 HydrophobicContact CD2-CZ2 3.93Å; F1105-W1111 AromaticContact CE1-CH2 3.69Å; F1105-W1111 HydrophobicContact CE1-CH2 3.69Å; F1105-W1111 HydrophobicContact CE1-CZ2 4.32Å; F1105-W1111 HydrophobicContact CE2-CH2 4.34Å; F1105-W1111 HydrophobicContact CE2-CZ2 4.12Å; F1105-W1111 AromaticContact CG-CH2 3.71Å; F1105-W1111 HydrophobicContact CG-CH2 3.71Å; F1105-W1111 AromaticContact CG-CZ2 3.89Å; F1105-W1111 HydrophobicContact CG-CZ2 3.89Å; F1105-W1111 HydrophobicContact CG-CZ3 4.23Å; F1105-W1111 HydrophobicContact CZ-CH2 4.12Å; F1105-W1111 HydrophobicContact CZ-CZ2 4.29Å; F1105-F1115 HydrophobicContact CE2-CD1 4.36Å; F1105-F1115 HydrophobicContact CE2-CD2 4.4Å; F1105-F1115 AromaticContact CE2-CE1 3.73Å; F1105-F1115 HydrophobicContact CE2-CE1 3.73Å; F1105-F1115 AromaticContact CE2-CE2 3.77Å; F1105-F1115 HydrophobicContact CE2-CE2 3.77Å; F1105-F1115 AromaticContact CE2-CZ 3.4Å; F1105-F1115 HydrophobicContact CE2-CZ 3.4Å; F1105-F1115 VanDerWaalsContact CE2-CZ 3.4Å; F1105-F1115 AromaticContact CZ-CE2 3.81Å; F1105-F1115 HydrophobicContact CZ-CE2 3.81Å; F1105-F1115 AromaticContact CZ-CZ 3.78Å; F1105-F1115 HydrophobicContact CZ-CZ 3.78Å; F1105-L1131 HydrophobicContact CD1-CD1 4.4Å; F1105-L1131 HydrophobicContact CD1-CD2 4.39Å; F1105-L1131 HydrophobicContact CE1-CD1 3.73Å; F1105-L1131 HydrophobicContact CE1-CD2 4.49Å; F1105-A1135 HydrophobicContact CD1-CB 3.72Å; F1105-A1135 HydrophobicContact CE1-CB 3.67Å; F1105-L1137 HydrophobicContact CE2-CD1 4.1Å; F1105-L1137 HydrophobicContact CZ-CD1 4.34Å |
| 1106 | L | 40.6 | Very low | 37.2 | Very low | 123.4 Ų | 123.4 | 78.4 Ų | 78.4 | 65% | 0.646 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -4.1 | 177.2 | -81.7 | 159 | 0 | 0 | 0 | 114.6 | V1102 N1103 L1104 | V1102-L1106 HydrophobicContact CG1-CD1 3.94Å; V1102-L1106 HydrophobicContact CG1-CG 4.36Å; V1102-L1106 WeakPolarHBondContact O-CB 3.33Å; V1102-L1106 VanDerWaalsContact O-CG 3.24Å; V1102-L1106 WeakPolarHBondContact O-CG 3.48Å; V1102-L1106 PolarHBondContact O-N 3.21Å; N1103-L1106 WeakPolarHBondContact O-CD1 3.19Å; N1103-L1106 PolarHBondContact O-N 3.21Å; L1104-L1106 VanDerWaalsContact C-N 3.28Å; L1104-L1106 HydrophobicContact CD2-CB 3.96Å; L1104-L1106 CarbonylContact O-C 3.12Å; L1104-L1106 VanDerWaalsContact O-C 3.25Å; L1104-L1106 PolarHBondContact O-N 3.27Å; L1104-L1106 VanDerWaalsContact O-N 3.15Å |
| 1107 | F | 39.5 | Very low | 37.1 | Very low | 87.6 Ų | 87.6 | 79.2 Ų | 79.2 | 38% | 0.384 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -14.5 | 177.9 | -63 | -92.9 | 0 | 0 | 0 | 114 | T1012 L1013 R1017 I1079 I1091 N1103 L1104 F1105 P1109 N1110 W1111 | T1012-F1107 HydrophobicContact CG2-CZ 4.07Å; L1013-F1107 HydrophobicContact CB-CB 3.7Å; L1013-F1107 HydrophobicContact CB-CD1 3.74Å; L1013-F1107 HydrophobicContact CB-CD2 4.17Å; L1013-F1107 HydrophobicContact CB-CE1 4.44Å; L1013-F1107 HydrophobicContact CB-CG 3.58Å; L1013-F1107 HydrophobicContact CD1-CB 4.29Å; L1013-F1107 HydrophobicContact CD1-CD2 3.55Å; L1013-F1107 HydrophobicContact CD1-CE2 3.98Å; L1013-F1107 HydrophobicContact CD1-CG 3.86Å; L1013-F1107 HydrophobicContact CD2-CB 4.46Å; L1013-F1107 HydrophobicContact CG-CB 4.4Å; L1013-F1107 HydrophobicContact CG-CD2 4.45Å; L1013-F1107 HydrophobicContact CG-CG 4.28Å; L1013-F1107 VanDerWaalsContact N-CE1 3.31Å; R1017-F1107 VanDerWaalsContact NH2-CB 3.29Å; R1017-F1107 PolarHBondContact NH2-O 3.45Å; I1079-F1107 HydrophobicContact CD1-CB 3.63Å; I1079-F1107 HydrophobicContact CD1-CD2 3.74Å; I1079-F1107 HydrophobicContact CD1-CG 3.86Å; I1091-F1107 HydrophobicContact CG2-CD1 3.79Å; I1091-F1107 HydrophobicContact CG2-CD2 4.25Å; I1091-F1107 HydrophobicContact CG2-CE1 3.51Å; I1091-F1107 HydrophobicContact CG2-CE2 4.01Å; I1091-F1107 HydrophobicContact CG2-CG 4.16Å; I1091-F1107 HydrophobicContact CG2-CZ 3.63Å; N1103-F1107 WeakPolarHBondContact O-CD2 3.3Å; N1103-F1107 VanDerWaalsContact O-CE2 3.3Å; N1103-F1107 WeakPolarHBondContact O-CE2 3.47Å; L1104-F1107 HydrophobicContact CB-CD2 4.15Å; L1104-F1107 HydrophobicContact CD1-CE2 4.11Å; L1104-F1107 HydrophobicContact CD2-CD2 4.27Å; L1104-F1107 HydrophobicContact CD2-CE2 4.28Å; L1104-F1107 WeakPolarHBondContact O-CD2 3.19Å; L1104-F1107 PolarHBondContact O-N 3.04Å; L1104-F1107 VanDerWaalsContact O-N 3.12Å; F1105-F1107 VanDerWaalsContact C-N 3.27Å; F1105-F1107 PolarHBondContact O-N 3.08Å; F1105-F1107 VanDerWaalsContact O-N 3.17Å; F1107-P1109 WeakPolarHBondContact O-CD 3.47Å; F1107-N1110 WeakPolarHBondContact O-CB 3.46Å; F1107-N1110 PolarHBondContact O-N 3.18Å; F1107-W1111 PolarHBondContact O-N 3.35Å; F1107-W1111 PolarHBondContact O-NE1 3.41Å |
| 1108 | F | 37.6 | Very low | 36.7 | Very low | 45.8 Ų | 45.8 | 83 Ų | 83 | 20% | 0.201 | 42% | 0.418 | C | S | . | . | trans | -90.6 | 65.5 | -177.9 | -80.3 | -87.9 | 0 | 0 | 0 | 113.3 | L960 I987 L1013 L1016 L1077 I1079 L1104 F1105 N1110 W1111 L1131 L1133 L1216 | L960-F1108 HydrophobicContact CD1-CE2 4.05Å; L960-F1108 HydrophobicContact CD1-CZ 4.08Å; L960-F1108 HydrophobicContact CD2-CE2 4.39Å; L960-F1108 HydrophobicContact CD2-CZ 4.06Å; I987-F1108 HydrophobicContact CB-CE1 4.47Å; I987-F1108 HydrophobicContact CG2-CE1 4.21Å; L1013-F1108 HydrophobicContact CD2-CB 4.32Å; L1013-F1108 HydrophobicContact CD2-CD2 3.29Å; L1013-F1108 HydrophobicContact CD2-CE2 3.81Å; L1013-F1108 HydrophobicContact CD2-CG 4.02Å; L1013-F1108 VanDerWaalsContact CD2-N 3.29Å; L1016-F1108 HydrophobicContact CD2-CE2 4.37Å; L1077-F1108 HydrophobicContact CD1-CD1 4.06Å; L1077-F1108 HydrophobicContact CD1-CE1 3.72Å; L1077-F1108 VanDerWaalsContact CD1-CE1 3.48Å; L1077-F1108 HydrophobicContact CD1-CZ 4.13Å; L1077-F1108 HydrophobicContact CD2-CD1 3.69Å; L1077-F1108 HydrophobicContact CD2-CD2 3.78Å; L1077-F1108 HydrophobicContact CD2-CE1 3.55Å; L1077-F1108 HydrophobicContact CD2-CE2 3.47Å; L1077-F1108 VanDerWaalsContact CD2-CE2 3.47Å; L1077-F1108 HydrophobicContact CD2-CG 3.89Å; L1077-F1108 HydrophobicContact CD2-CZ 3.4Å; L1077-F1108 HydrophobicContact CG-CD1 4.17Å; L1077-F1108 HydrophobicContact CG-CE1 4.03Å; L1077-F1108 HydrophobicContact CG-CZ 4.29Å; I1079-F1108 HydrophobicContact CB-CZ 4.4Å; I1079-F1108 HydrophobicContact CD1-CE2 4.13Å; I1079-F1108 HydrophobicContact CD1-CZ 4.46Å; I1079-F1108 HydrophobicContact CG1-CE2 4.41Å; I1079-F1108 HydrophobicContact CG1-CZ 4.29Å; I1079-F1108 HydrophobicContact CG2-CE1 3.7Å; I1079-F1108 HydrophobicContact CG2-CE2 4.04Å; I1079-F1108 HydrophobicContact CG2-CZ 3.38Å; L1104-F1108 HydrophobicContact CD2-CE2 4.33Å; L1104-F1108 VanDerWaalsContact O-CD2 3.26Å; L1104-F1108 WeakPolarHBondContact O-CD2 3.4Å; L1104-F1108 WeakPolarHBondContact O-CE2 3.49Å; F1105-F1108 HydrophobicContact CD1-CD2 4.27Å; F1105-F1108 HydrophobicContact CD1-CE2 4.33Å; F1105-F1108 WeakPolarHBondContact O-CB 2.78Å; F1105-F1108 PolarHBondContact O-N 3.32Å; F1108-N1110 PolarHBondContact O-N 3.14Å; F1108-N1110 VanDerWaalsContact O-N 3.11Å; F1108-W1111 HydrophobicContact CB-CE3 3.99Å; F1108-W1111 HydrophobicContact CB-CZ3 4.42Å; F1108-W1111 AromaticContact CD1-CD2 3.93Å; F1108-W1111 HydrophobicContact CD1-CD2 4.07Å; F1108-W1111 AromaticContact CD1-CE2 3.9Å; F1108-W1111 AromaticContact CD1-CE3 3.9Å; F1108-W1111 HydrophobicContact CD1-CE3 3.9Å; F1108-W1111 AromaticContact CD1-CH2 3.78Å; F1108-W1111 HydrophobicContact CD1-CH2 4.1Å; F1108-W1111 AromaticContact CD1-CZ2 3.86Å; F1108-W1111 HydrophobicContact CD1-CZ2 3.86Å; F1108-W1111 AromaticContact CD1-CZ3 3.76Å; F1108-W1111 HydrophobicContact CD1-CZ3 3.9Å; F1108-W1111 HydrophobicContact CD2-CZ2 4.22Å; F1108-W1111 HydrophobicContact CE1-CD2 4.25Å; F1108-W1111 AromaticContact CE1-CE2 3.97Å; F1108-W1111 AromaticContact CE1-CE3 3.75Å; F1108-W1111 HydrophobicContact CE1-CE3 3.75Å; F1108-W1111 AromaticContact CE1-CH2 3.35Å; F1108-W1111 HydrophobicContact CE1-CH2 3.35Å; F1108-W1111 AromaticContact CE1-CZ2 3.47Å; F1108-W1111 HydrophobicContact CE1-CZ2 3.89Å; F1108-W1111 VanDerWaalsContact CE1-CZ2 3.47Å; F1108-W1111 AromaticContact CE1-CZ3 3.26Å; F1108-W1111 HydrophobicContact CE1-CZ3 3.26Å; F1108-W1111 AromaticContact CE2-CH2 3.89Å; F1108-W1111 HydrophobicContact CE2-CH2 3.89Å; F1108-W1111 AromaticContact CE2-CZ2 3.84Å; F1108-W1111 HydrophobicContact CE2-CZ2 3.84Å; F1108-W1111 HydrophobicContact CE2-CZ3 4.36Å; F1108-W1111 HydrophobicContact CG-CD2 4.49Å; F1108-W1111 HydrophobicContact CG-CZ2 4.19Å; F1108-W1111 HydrophobicContact CZ-CE3 4.26Å; F1108-W1111 AromaticContact CZ-CH2 3.23Å; F1108-W1111 HydrophobicContact CZ-CH2 3.23Å; F1108-W1111 AromaticContact CZ-CZ2 3.66Å; F1108-W1111 HydrophobicContact CZ-CZ2 3.66Å; F1108-W1111 AromaticContact CZ-CZ3 3.67Å; F1108-W1111 HydrophobicContact CZ-CZ3 3.67Å; F1108-W1111 WeakPolarHBondContact O-CB 3.25Å; F1108-W1111 VanDerWaalsContact O-CG 3.29Å; F1108-W1111 PolarHBondContact O-N 3.29Å; F1108-L1131 HydrophobicContact CD2-CD2 3.89Å; F1108-L1131 HydrophobicContact CE1-CD2 4.24Å; F1108-L1131 HydrophobicContact CE2-CD2 3.44Å; F1108-L1131 VanDerWaalsContact CE2-CD2 3.44Å; F1108-L1131 HydrophobicContact CG-CD2 4.45Å; F1108-L1131 HydrophobicContact CZ-CD2 3.63Å; F1108-L1133 HydrophobicContact CD1-CB 4.37Å; F1108-L1133 HydrophobicContact CD1-CD2 4.03Å; F1108-L1133 HydrophobicContact CE1-CD2 4Å; F1108-L1216 HydrophobicContact CE1-CD2 4.3Å | ||
| 1109 | P | 35.5 | Very low | 36.5 | Very low | 95 Ų | 95 | 87.2 Ų | 87.2 | 62% | 0.617 | 43% | 0.428 | S | S | * | . | trans | -75.4 | -19.8 | -173.5 | 2.4 | 4.9 | 0 | 0 | 0 | 114.4 | F1107 W1111 T1112 | F1107-P1109 WeakPolarHBondContact O-CD 3.47Å; P1109-W1111 VanDerWaalsContact C-N 3.35Å; P1109-W1111 PolarHBondContact O-N 3.37Å; P1109-W1111 VanDerWaalsContact O-N 3.09Å; P1109-T1112 PolarHBondContact O-OG1 2.82Å | ||
| 1110 | N | 35.4 | Very low | 36.1 | Very low | 110.4 Ų | 110.4 | 89.5 Ų | 89.5 | 59% | 0.59 | 44% | 0.443 | S | S | * | . | trans | -100.8 | 35.8 | -174.2 | -68.4 | -26.9 | 0 | 0 | 0 | 112.6 | R1017 E1083 F1107 F1108 T1112 R1113 N1114 | R1017-N1110 VanDerWaalsContact CZ-O 3.27Å; R1017-N1110 PolarHBondContact NE-O 3.49Å; R1017-N1110 VanDerWaalsContact NE-O 3.08Å; E1083-N1110 PolarHBondContact OE2-ND2 2.75Å; F1107-N1110 WeakPolarHBondContact O-CB 3.46Å; F1107-N1110 PolarHBondContact O-N 3.18Å; F1108-N1110 PolarHBondContact O-N 3.14Å; F1108-N1110 VanDerWaalsContact O-N 3.11Å; N1110-T1112 PolarHBondContact O-N 3.14Å; N1110-R1113 PolarHBondContact O-N 3.35Å; N1110-R1113 VanDerWaalsContact O-N 3.1Å; N1110-N1114 PolarHBondContact O-N 2.96Å | ||
| 1111 | W | 35.6 | Very low | 35.8 | Very low | 70.2 Ų | 70.2 | 95 Ų | 95 | 27% | 0.266 | 47% | 0.467 | S | S | . | . | trans | -77.6 | 136.4 | 177.8 | -96.8 | 24.6 | 0 | 0 | 0 | 111.4 | I987 L1013 L1016 R1017 L1020 S1071 M1072 Y1073 F1105 F1107 F1108 P1109 R1113 N1114 F1115 L1131 L1133 | I987-W1111 HydrophobicContact CG2-CZ3 4.03Å; L1013-W1111 HydrophobicContact CD1-CH2 3.98Å; L1013-W1111 HydrophobicContact CD1-CZ2 3.41Å; L1013-W1111 VanDerWaalsContact CD1-CZ2 3.41Å; L1013-W1111 HydrophobicContact CD2-CZ2 4.25Å; L1016-W1111 HydrophobicContact CB-CZ2 4.38Å; L1016-W1111 HydrophobicContact CD2-CH2 4.24Å; L1016-W1111 HydrophobicContact CD2-CZ2 3.78Å; L1016-W1111 HydrophobicContact CG-CH2 4.45Å; L1016-W1111 HydrophobicContact CG-CZ2 3.78Å; R1017-W1111 HydrophobicContact CG-CB 4.32Å; R1017-W1111 HydrophobicContact CG-CD2 4.45Å; R1017-W1111 HydrophobicContact CG-CG 3.77Å; L1020-W1111 HydrophobicContact CD1-CE3 4.27Å; L1020-W1111 HydrophobicContact CD1-CH2 3.14Å; L1020-W1111 HydrophobicContact CD1-CZ2 3.57Å; L1020-W1111 HydrophobicContact CD1-CZ3 3.58Å; L1020-W1111 HydrophobicContact CD2-CE3 3.82Å; L1020-W1111 HydrophobicContact CD2-CH2 3.61Å; L1020-W1111 HydrophobicContact CD2-CZ3 3.11Å; L1020-W1111 HydrophobicContact CG-CE3 4.5Å; L1020-W1111 HydrophobicContact CG-CH2 3.95Å; L1020-W1111 HydrophobicContact CG-CZ3 3.87Å; S1071-W1111 CarbonylContact C-O 3.16Å; M1072-W1111 PolarHBondContact N-O 3.41Å; M1072-W1111 VanDerWaalsContact N-O 3.12Å; Y1073-W1111 HydrophobicContact CD2-CB 4.27Å; Y1073-W1111 AromaticContact CD2-CD2 3.67Å; Y1073-W1111 HydrophobicContact CD2-CD2 3.67Å; Y1073-W1111 AromaticContact CD2-CE3 3.52Å; Y1073-W1111 HydrophobicContact CD2-CE3 3.52Å; Y1073-W1111 HydrophobicContact CD2-CG 4.07Å; Y1073-W1111 HydrophobicContact CD2-CH2 4.39Å; Y1073-W1111 AromaticContact CD2-CZ3 3.88Å; Y1073-W1111 HydrophobicContact CD2-CZ3 3.88Å; Y1073-W1111 HydrophobicContact CG-CD2 4.4Å; Y1073-W1111 AromaticContact CG-CE3 3.97Å; Y1073-W1111 HydrophobicContact CG-CE3 3.97Å; Y1073-W1111 HydrophobicContact CG-CZ3 4.44Å; F1105-W1111 HydrophobicContact CB-CH2 4.31Å; F1105-W1111 HydrophobicContact CB-CZ2 4.44Å; F1105-W1111 HydrophobicContact CB-CZ3 4.4Å; F1105-W1111 AromaticContact CD1-CH2 3.44Å; F1105-W1111 HydrophobicContact CD1-CH2 3.44Å; F1105-W1111 VanDerWaalsContact CD1-CH2 3.44Å; F1105-W1111 HydrophobicContact CD1-CZ2 4.07Å; F1105-W1111 AromaticContact CD1-CZ3 3.94Å; F1105-W1111 HydrophobicContact CD1-CZ3 3.94Å; F1105-W1111 HydrophobicContact CD2-CH2 4.16Å; F1105-W1111 AromaticContact CD2-CZ2 3.93Å; F1105-W1111 HydrophobicContact CD2-CZ2 3.93Å; F1105-W1111 AromaticContact CE1-CH2 3.69Å; F1105-W1111 HydrophobicContact CE1-CH2 3.69Å; F1105-W1111 HydrophobicContact CE1-CZ2 4.32Å; F1105-W1111 HydrophobicContact CE2-CH2 4.34Å; F1105-W1111 HydrophobicContact CE2-CZ2 4.12Å; F1105-W1111 AromaticContact CG-CH2 3.71Å; F1105-W1111 HydrophobicContact CG-CH2 3.71Å; F1105-W1111 AromaticContact CG-CZ2 3.89Å; F1105-W1111 HydrophobicContact CG-CZ2 3.89Å; F1105-W1111 HydrophobicContact CG-CZ3 4.23Å; F1105-W1111 HydrophobicContact CZ-CH2 4.12Å; F1105-W1111 HydrophobicContact CZ-CZ2 4.29Å; F1107-W1111 PolarHBondContact O-N 3.35Å; F1107-W1111 PolarHBondContact O-NE1 3.41Å; F1108-W1111 HydrophobicContact CB-CE3 3.99Å; F1108-W1111 HydrophobicContact CB-CZ3 4.42Å; F1108-W1111 AromaticContact CD1-CD2 3.93Å; F1108-W1111 HydrophobicContact CD1-CD2 4.07Å; F1108-W1111 AromaticContact CD1-CE2 3.9Å; F1108-W1111 AromaticContact CD1-CE3 3.9Å; F1108-W1111 HydrophobicContact CD1-CE3 3.9Å; F1108-W1111 AromaticContact CD1-CH2 3.78Å; F1108-W1111 HydrophobicContact CD1-CH2 4.1Å; F1108-W1111 AromaticContact CD1-CZ2 3.86Å; F1108-W1111 HydrophobicContact CD1-CZ2 3.86Å; F1108-W1111 AromaticContact CD1-CZ3 3.76Å; F1108-W1111 HydrophobicContact CD1-CZ3 3.9Å; F1108-W1111 HydrophobicContact CD2-CZ2 4.22Å; F1108-W1111 HydrophobicContact CE1-CD2 4.25Å; F1108-W1111 AromaticContact CE1-CE2 3.97Å; F1108-W1111 AromaticContact CE1-CE3 3.75Å; F1108-W1111 HydrophobicContact CE1-CE3 3.75Å; F1108-W1111 AromaticContact CE1-CH2 3.35Å; F1108-W1111 HydrophobicContact CE1-CH2 3.35Å; F1108-W1111 AromaticContact CE1-CZ2 3.47Å; F1108-W1111 HydrophobicContact CE1-CZ2 3.89Å; F1108-W1111 VanDerWaalsContact CE1-CZ2 3.47Å; F1108-W1111 AromaticContact CE1-CZ3 3.26Å; F1108-W1111 HydrophobicContact CE1-CZ3 3.26Å; F1108-W1111 AromaticContact CE2-CH2 3.89Å; F1108-W1111 HydrophobicContact CE2-CH2 3.89Å; F1108-W1111 AromaticContact CE2-CZ2 3.84Å; F1108-W1111 HydrophobicContact CE2-CZ2 3.84Å; F1108-W1111 HydrophobicContact CE2-CZ3 4.36Å; F1108-W1111 HydrophobicContact CG-CD2 4.49Å; F1108-W1111 HydrophobicContact CG-CZ2 4.19Å; F1108-W1111 HydrophobicContact CZ-CE3 4.26Å; F1108-W1111 AromaticContact CZ-CH2 3.23Å; F1108-W1111 HydrophobicContact CZ-CH2 3.23Å; F1108-W1111 AromaticContact CZ-CZ2 3.66Å; F1108-W1111 HydrophobicContact CZ-CZ2 3.66Å; F1108-W1111 AromaticContact CZ-CZ3 3.67Å; F1108-W1111 HydrophobicContact CZ-CZ3 3.67Å; F1108-W1111 WeakPolarHBondContact O-CB 3.25Å; F1108-W1111 VanDerWaalsContact O-CG 3.29Å; F1108-W1111 PolarHBondContact O-N 3.29Å; P1109-W1111 VanDerWaalsContact C-N 3.35Å; P1109-W1111 PolarHBondContact O-N 3.37Å; P1109-W1111 VanDerWaalsContact O-N 3.09Å; W1111-R1113 VanDerWaalsContact C-N 3.28Å; W1111-R1113 PolarHBondContact O-N 3.12Å; W1111-R1113 VanDerWaalsContact O-N 3.13Å; W1111-N1114 PolarHBondContact O-N 3.4Å; W1111-F1115 HydrophobicContact CE3-CD1 4.1Å; W1111-F1115 HydrophobicContact CZ2-CB 3.99Å; W1111-F1115 AromaticContact CZ2-CD2 3.67Å; W1111-F1115 HydrophobicContact CZ2-CD2 3.67Å; W1111-F1115 HydrophobicContact CZ2-CE2 4.34Å; W1111-F1115 AromaticContact CZ2-CG 3.84Å; W1111-F1115 HydrophobicContact CZ2-CG 3.84Å; W1111-F1115 HydrophobicContact CZ3-CD1 4.19Å; W1111-F1115 HydrophobicContact CZ3-CE1 4.26Å; W1111-F1115 WeakPolarHBondContact O-CB 3.48Å; W1111-F1115 PolarHBondContact O-N 3.1Å; W1111-L1131 HydrophobicContact CH2-CD1 4.18Å; W1111-L1131 HydrophobicContact CH2-CD2 4.25Å; W1111-L1131 HydrophobicContact CH2-CG 4.38Å; W1111-L1131 HydrophobicContact CZ3-CD2 3.88Å; W1111-L1131 HydrophobicContact CZ3-CG 4.33Å; W1111-L1133 HydrophobicContact CB-CD1 3.77Å; W1111-L1133 HydrophobicContact CD2-CD1 4.43Å; W1111-L1133 HydrophobicContact CD2-CD2 4.46Å; W1111-L1133 HydrophobicContact CE3-CD1 3.79Å; W1111-L1133 HydrophobicContact CE3-CD2 3.59Å; W1111-L1133 HydrophobicContact CE3-CG 4.23Å; W1111-L1133 HydrophobicContact CG-CD1 4.48Å; W1111-L1133 HydrophobicContact CZ3-CD2 3.91Å; W1111-L1133 VanDerWaalsContact CZ3-CD2 3.47Å | ||
| 1112 | T | 35.3 | Very low | 35.3 | Very low | 65.6 Ų | 65.6 | 99 Ų | 99 | 40% | 0.402 | 49% | 0.487 | S | S | . | . | trans | -50.8 | 93.8 | -178.1 | 61.5 | 0 | 0 | 0 | 0 | 114 | M1072 Y1073 P1109 N1110 N1114 F1115 L1116 L1131 L1133 M1138 | M1072-T1112 HydrophobicContact CB-CG2 3.18Å; M1072-T1112 HydrophobicContact CE-CG2 4.31Å; Y1073-T1112 VanDerWaalsContact CA-CG2 3.44Å; Y1073-T1112 HydrophobicContact CD1-CG2 3.38Å; Y1073-T1112 VanDerWaalsContact CE1-CA 3.45Å; Y1073-T1112 HydrophobicContact CE1-CG2 4.23Å; Y1073-T1112 HydrophobicContact CG-CG2 3.69Å; P1109-T1112 PolarHBondContact O-OG1 2.82Å; N1110-T1112 PolarHBondContact O-N 3.14Å; T1112-N1114 PolarHBondContact O-N 2.89Å; T1112-F1115 PolarHBondContact O-N 2.87Å; T1112-L1116 VanDerWaalsContact O-CD1 3.29Å; T1112-L1116 WeakPolarHBondContact O-CD1 3.17Å; T1112-L1116 WeakPolarHBondContact O-CG 3.35Å; T1112-L1131 WeakPolarHBondContact CG2-O 3.3Å; T1112-L1133 HydrophobicContact CG2-CD1 4.21Å; T1112-M1138 HydrophobicContact CG2-CE 3.89Å; T1112-M1138 HydrophobicContact CG2-CG 4.01Å; T1112-M1138 HydrophobicContact CG2-SD 4.04Å | ||
| 1113 | R | 32.6 | Very low | 34.8 | Very low | 169.4 Ų | 169.4 | 102.3 Ų | 102.3 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -80.7 | -40.2 | 164.6 | -126.6 | 176.5 | -179.5 | 141.9 | 2.6 | 113.5 | N1110 W1111 F1115 L1116 D1117 F1139 T1140 L1159 | N1110-R1113 PolarHBondContact O-N 3.35Å; N1110-R1113 VanDerWaalsContact O-N 3.1Å; W1111-R1113 VanDerWaalsContact C-N 3.28Å; W1111-R1113 PolarHBondContact O-N 3.12Å; W1111-R1113 VanDerWaalsContact O-N 3.13Å; R1113-F1115 VanDerWaalsContact C-N 3.26Å; R1113-F1115 PolarHBondContact O-N 3.23Å; R1113-F1115 VanDerWaalsContact O-N 3.16Å; R1113-L1116 HydrophobicContact CG-CD1 4.32Å; R1113-L1116 WeakPolarHBondContact O-CD1 3.46Å; R1113-L1116 WeakPolarHBondContact O-CG 3.37Å; R1113-L1116 PolarHBondContact O-N 3.16Å; R1113-D1117 WeakPolarHBondContact CG-OD2 3.25Å; R1113-D1117 IonicContact NE-OD2 3.69Å; R1113-D1117 PolarHBondContact O-N 3.3Å; R1113-D1117 VanDerWaalsContact O-N 3.1Å; R1113-F1139 HydrophobicContact CG-CE1 3.9Å; R1113-T1140 PolarHBondContact NH2-OG1 2.9Å; R1113-L1159 HydrophobicContact CB-CD1 3.63Å |
| 1114 | N | 32.5 | Very low | 34.3 | Very low | 89.6 Ų | 89.6 | 106.3 Ų | 106.3 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.2 | -2.7 | -174.7 | -65.6 | 32.7 | 0 | 0 | 0 | 115.3 | R1017 Y1073 N1110 W1111 T1112 L1116 D1117 N1118 | R1017-N1114 VanDerWaalsContact NH1-CG 3.27Å; R1017-N1114 PolarHBondContact NH1-OD1 3.47Å; Y1073-N1114 VanDerWaalsContact OH-C 3.22Å; Y1073-N1114 WeakPolarHBondContact OH-CA 3.28Å; Y1073-N1114 PolarHBondContact OH-N 2.98Å; N1110-N1114 PolarHBondContact O-N 2.96Å; W1111-N1114 PolarHBondContact O-N 3.4Å; T1112-N1114 PolarHBondContact O-N 2.89Å; N1114-L1116 PolarHBondContact O-N 3.01Å; N1114-L1116 VanDerWaalsContact O-N 3.12Å; N1114-D1117 PolarHBondContact O-N 2.93Å; N1114-N1118 HydrophobicContact CB-CB 4.47Å; N1114-N1118 WeakPolarHBondContact CB-OD1 3.06Å; N1114-N1118 PolarHBondContact ND2-OD1 3.3Å; N1114-N1118 PolarHBondContact O-N 3.21Å |
| 1115 | F | 33.8 | Very low | 33.9 | Very low | 83.4 Ų | 83.4 | 111.8 Ų | 111.8 | 37% | 0.366 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.3 | -14 | 169 | -169.4 | -91.3 | 0 | 0 | 0 | 112.1 | S956 F958 R1017 L1021 C1024 L1025 Y1073 Q1074 E1076 F1105 W1111 T1112 R1113 L1131 | S956-F1115 WeakPolarHBondContact OG-CE2 3.38Å; S956-F1115 WeakPolarHBondContact OG-CZ 3.3Å; F958-F1115 HydrophobicContact CB-CE2 4.22Å; F958-F1115 HydrophobicContact CD1-CE2 4.16Å; F958-F1115 HydrophobicContact CD1-CZ 4.36Å; F958-F1115 HydrophobicContact CG-CE2 4.43Å; R1017-F1115 HydrophobicContact CG-CE2 4.44Å; L1021-F1115 HydrophobicContact CB-CD2 3.9Å; L1021-F1115 HydrophobicContact CB-CE2 3.93Å; L1021-F1115 HydrophobicContact CD1-CB 4Å; L1021-F1115 HydrophobicContact CD1-CD1 4.25Å; L1021-F1115 HydrophobicContact CD1-CD2 3.74Å; L1021-F1115 HydrophobicContact CD1-CE2 4.33Å; L1021-F1115 HydrophobicContact CD1-CG 3.69Å; L1021-F1115 HydrophobicContact CD1-CZ 4.2Å; L1021-F1115 HydrophobicContact CG-CD1 4.49Å; L1021-F1115 HydrophobicContact CG-CD2 3.76Å; L1021-F1115 HydrophobicContact CG-CE2 3.85Å; L1021-F1115 HydrophobicContact CG-CG 4.11Å; L1021-F1115 HydrophobicContact CG-CZ 4.23Å; C1024-F1115 HydrophobicContact CB-CE2 4.17Å; C1024-F1115 HydrophobicContact CB-CZ 4.02Å; L1025-F1115 HydrophobicContact CD2-CE1 4.34Å; L1025-F1115 HydrophobicContact CD2-CZ 4.44Å; L1025-F1115 HydrophobicContact CG-CZ 4.49Å; Y1073-F1115 HydrophobicContact CE1-CB 4.12Å; Y1073-F1115 PolarHBondContact OH-N 2.69Å; Q1074-F1115 HydrophobicContact CG-CB 4.14Å; Q1074-F1115 HydrophobicContact CG-CD1 4.5Å; Q1074-F1115 HydrophobicContact CG-CG 4.15Å; E1076-F1115 HydrophobicContact CG-CE1 4.38Å; E1076-F1115 WeakPolarHBondContact OE2-CE1 3.46Å; E1076-F1115 WeakPolarHBondContact OE2-CZ 3.13Å; F1105-F1115 HydrophobicContact CE2-CD1 4.36Å; F1105-F1115 HydrophobicContact CE2-CD2 4.4Å; F1105-F1115 AromaticContact CE2-CE1 3.73Å; F1105-F1115 HydrophobicContact CE2-CE1 3.73Å; F1105-F1115 AromaticContact CE2-CE2 3.77Å; F1105-F1115 HydrophobicContact CE2-CE2 3.77Å; F1105-F1115 AromaticContact CE2-CZ 3.4Å; F1105-F1115 HydrophobicContact CE2-CZ 3.4Å; F1105-F1115 VanDerWaalsContact CE2-CZ 3.4Å; F1105-F1115 AromaticContact CZ-CE2 3.81Å; F1105-F1115 HydrophobicContact CZ-CE2 3.81Å; F1105-F1115 AromaticContact CZ-CZ 3.78Å; F1105-F1115 HydrophobicContact CZ-CZ 3.78Å; W1111-F1115 HydrophobicContact CE3-CD1 4.1Å; W1111-F1115 HydrophobicContact CZ2-CB 3.99Å; W1111-F1115 AromaticContact CZ2-CD2 3.67Å; W1111-F1115 HydrophobicContact CZ2-CD2 3.67Å; W1111-F1115 HydrophobicContact CZ2-CE2 4.34Å; W1111-F1115 AromaticContact CZ2-CG 3.84Å; W1111-F1115 HydrophobicContact CZ2-CG 3.84Å; W1111-F1115 HydrophobicContact CZ3-CD1 4.19Å; W1111-F1115 HydrophobicContact CZ3-CE1 4.26Å; W1111-F1115 WeakPolarHBondContact O-CB 3.48Å; W1111-F1115 PolarHBondContact O-N 3.1Å; T1112-F1115 PolarHBondContact O-N 2.87Å; R1113-F1115 VanDerWaalsContact C-N 3.26Å; R1113-F1115 PolarHBondContact O-N 3.23Å; R1113-F1115 VanDerWaalsContact O-N 3.16Å; F1115-L1131 HydrophobicContact CE1-CD1 4.36Å |
| 1116 | L | 33.1 | Very low | 33.4 | Very low | 79.6 Ų | 79.6 | 113.4 Ų | 113.4 | 42% | 0.417 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | -20.1 | 178.6 | -67.7 | 173 | 0 | 0 | 0 | 112.9 | T1112 R1113 N1114 N1118 R1119 F1128 F1139 | T1112-L1116 VanDerWaalsContact O-CD1 3.29Å; T1112-L1116 WeakPolarHBondContact O-CD1 3.17Å; T1112-L1116 WeakPolarHBondContact O-CG 3.35Å; R1113-L1116 HydrophobicContact CG-CD1 4.32Å; R1113-L1116 WeakPolarHBondContact O-CD1 3.46Å; R1113-L1116 WeakPolarHBondContact O-CG 3.37Å; R1113-L1116 PolarHBondContact O-N 3.16Å; N1114-L1116 PolarHBondContact O-N 3.01Å; N1114-L1116 VanDerWaalsContact O-N 3.12Å; L1116-N1118 VanDerWaalsContact C-N 3.34Å; L1116-N1118 PolarHBondContact O-N 2.95Å; L1116-N1118 VanDerWaalsContact O-N 3.1Å; L1116-R1119 WeakPolarHBondContact O-CD 3.46Å; L1116-R1119 WeakPolarHBondContact O-CG 3.25Å; L1116-R1119 PolarHBondContact O-N 2.64Å; L1116-R1119 PolarHBondContact O-NE 3.32Å; L1116-F1128 HydrophobicContact CD2-CE1 4.25Å; L1116-F1128 HydrophobicContact CD2-CZ 3.72Å; L1116-F1139 HydrophobicContact CD2-CZ 4.21Å |
| 1117 | D | 34.1 | Very low | 32.9 | Very low | 98.2 Ų | 98.2 | 111.5 Ų | 111.5 | 53% | 0.525 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -78.3 | -17.5 | 177.7 | -69.6 | -23.3 | 0 | 0 | 0 | 115.7 | R1113 N1114 R1119 | R1113-D1117 WeakPolarHBondContact CG-OD2 3.25Å; R1113-D1117 IonicContact NE-OD2 3.69Å; R1113-D1117 PolarHBondContact O-N 3.3Å; R1113-D1117 VanDerWaalsContact O-N 3.1Å; N1114-D1117 PolarHBondContact O-N 2.93Å; D1117-R1119 PolarHBondContact O-N 3.26Å; D1117-R1119 VanDerWaalsContact O-N 3.13Å |
| 1118 | N | 30.7 | Very low | 32.3 | Very low | 129.2 Ų | 129.2 | 114.5 Ų | 114.5 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | trans | -87.3 | 54.2 | -177.7 | -88.7 | -8.5 | 0 | 0 | 0 | 114.1 | N1114 L1116 D1120 I1122 | N1114-N1118 HydrophobicContact CB-CB 4.47Å; N1114-N1118 WeakPolarHBondContact CB-OD1 3.06Å; N1114-N1118 PolarHBondContact ND2-OD1 3.3Å; N1114-N1118 PolarHBondContact O-N 3.21Å; L1116-N1118 VanDerWaalsContact C-N 3.34Å; L1116-N1118 PolarHBondContact O-N 2.95Å; L1116-N1118 VanDerWaalsContact O-N 3.1Å; N1118-D1120 VanDerWaalsContact C-N 3.29Å; N1118-I1122 WeakPolarHBondContact O-CD1 3.36Å; N1118-I1122 WeakPolarHBondContact O-CG1 3.37Å | ||
| 1119 | R | 31.2 | Very low | 31.9 | Very low | 161.8 Ų | 161.8 | 115.4 Ų | 115.4 | 61% | 0.611 | 59% | 0.589 | S | S | * | * | trans | -123.5 | -6.8 | 173 | -88.5 | -167.1 | -175.8 | -174.7 | 10.4 | 114.4 | L1116 D1117 H1121 I1122 S1181 | L1116-R1119 WeakPolarHBondContact O-CD 3.46Å; L1116-R1119 WeakPolarHBondContact O-CG 3.25Å; L1116-R1119 PolarHBondContact O-N 2.64Å; L1116-R1119 PolarHBondContact O-NE 3.32Å; D1117-R1119 PolarHBondContact O-N 3.26Å; D1117-R1119 VanDerWaalsContact O-N 3.13Å; R1119-H1121 VanDerWaalsContact C-N 3.25Å; R1119-H1121 CarbonylContact C-O 3.6Å; R1119-H1121 CarbonylContact O-C 3.17Å; R1119-H1121 PolarHBondContact O-N 3.07Å; R1119-I1122 PolarHBondContact O-N 3.06Å; R1119-S1181 PolarHBondContact NH2-O 3.33Å | ||
| 1120 | D | 31.4 | Very low | 31.7 | Very low | 141 Ų | 141 | 116.5 Ų | 116.5 | 75% | 0.754 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -56.9 | 1.3 | 176.2 | -70.5 | -15.4 | 0 | 0 | 0 | 115.3 | N1118 | N1118-D1120 VanDerWaalsContact C-N 3.29Š|
| 1121 | H | 32.4 | Very low | 31.6 | Very low | 166.8 Ų | 166.8 | 113.1 Ų | 113.1 | 77% | 0.772 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -122.3 | 72.1 | 171.6 | -69 | -21.4 | 0 | 0 | 0 | 111.6 | R1119 N1123 | R1119-H1121 VanDerWaalsContact C-N 3.25Å; R1119-H1121 CarbonylContact C-O 3.6Å; R1119-H1121 CarbonylContact O-C 3.17Å; R1119-H1121 PolarHBondContact O-N 3.07Å; H1121-N1123 VanDerWaalsContact C-N 3.27Å; H1121-N1123 PolarHBondContact O-N 2.95Å |
| 1122 | I | 30.7 | Very low | 31.5 | Very low | 120.2 Ų | 120.2 | 113.1 Ų | 113.1 | 62% | 0.616 | 57% | 0.57 | S | S | * | * | trans | -112.9 | 96.2 | 154.8 | -63 | 158.5 | 0 | 0 | 0 | 110.8 | N1118 R1119 N1124 V1126 Q1178 Q1179 | N1118-I1122 WeakPolarHBondContact O-CD1 3.36Å; N1118-I1122 WeakPolarHBondContact O-CG1 3.37Å; R1119-I1122 PolarHBondContact O-N 3.06Å; I1122-N1124 PolarHBondContact O-N 3.23Å; I1122-V1126 HydrophobicContact CG2-CB 4.47Å; I1122-Q1178 HydrophobicContact CB-CG 4.16Å; I1122-Q1178 HydrophobicContact CD1-CB 4.41Å; I1122-Q1178 HydrophobicContact CD1-CG 3.53Å; I1122-Q1178 HydrophobicContact CG1-CG 3.7Å; I1122-Q1178 HydrophobicContact CG2-CG 4.06Å; I1122-Q1179 HydrophobicContact CB-CG 4.37Å; I1122-Q1179 PolarHBondContact O-NE2 3.29Å | ||
| 1123 | N | 29.5 | Very low | 31.6 | Very low | 136.8 Ų | 136.8 | 111.7 Ų | 111.7 | 73% | 0.732 | 56% | 0.56 | S | S | * | * | trans | -31.8 | 119.8 | 154.8 | -73.9 | -17.6 | 0 | 0 | 0 | 113.3 | H1121 D1125 | H1121-N1123 VanDerWaalsContact C-N 3.27Å; H1121-N1123 PolarHBondContact O-N 2.95Å; N1123-D1125 VanDerWaalsContact C-N 3.34Å; N1123-D1125 PolarHBondContact O-N 3.33Å; N1123-D1125 VanDerWaalsContact O-N 3.13Å | ||
| 1124 | N | 30.3 | Very low | 31.8 | Very low | 144.8 Ų | 144.8 | 105 Ų | 105 | 77% | 0.774 | 54% | 0.539 | S | S | * | . | trans | -9.7 | 71.4 | 162.8 | -67.5 | -7.8 | 0 | 0 | 0 | 116.5 | I1122 V1126 | I1122-N1124 PolarHBondContact O-N 3.23Å; N1124-V1126 VanDerWaalsContact C-N 3.26Å; N1124-V1126 PolarHBondContact O-N 3.12Å | ||
| 1125 | D | 31.3 | Very low | 32 | Very low | 150.4 Ų | 150.4 | 103.1 Ų | 103.1 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | trans | -152.6 | 42.7 | 153.1 | -65.3 | -28.4 | 0 | 0 | 0 | 116.8 | N1123 S1127 S1180 | N1123-D1125 VanDerWaalsContact C-N 3.34Å; N1123-D1125 PolarHBondContact O-N 3.33Å; N1123-D1125 VanDerWaalsContact O-N 3.13Å; D1125-S1127 PolarHBondContact O-N 3.18Å; D1125-S1180 WeakPolarHBondContact O-CB 2.91Å; D1125-S1180 PolarHBondContact O-OG 3.45Å | ||
| 1126 | V | 29.4 | Very low | 32.1 | Very low | 111.6 Ų | 111.6 | 104.5 Ų | 104.5 | 68% | 0.676 | 54% | 0.542 | S | S | * | . | trans | -80.6 | 129.5 | 169.5 | -174.9 | 0 | 0 | 0 | 0 | 112.8 | I1122 N1124 F1128 S1180 | I1122-V1126 HydrophobicContact CG2-CB 4.47Å; N1124-V1126 VanDerWaalsContact C-N 3.26Å; N1124-V1126 PolarHBondContact O-N 3.12Å; V1126-F1128 PolarHBondContact O-N 2.98Å; V1126-S1180 VanDerWaalsContact C-OG 3.27Å; V1126-S1180 CarbonylContact O-C 3.59Å; V1126-S1180 WeakPolarHBondContact O-CB 3.48Å; V1126-S1180 PolarHBondContact O-OG 2.86Å; V1126-S1180 VanDerWaalsContact O-OG 3.09Å | ||
| 1127 | S | 29.4 | Very low | 32.1 | Very low | 83.6 Ų | 83.6 | 105 Ų | 105 | 59% | 0.585 | 55% | 0.545 | S | S | * | . | trans | -90 | 146.3 | -171.6 | 14.8 | 0 | 0 | 0 | 0 | 113.4 | Y1028 E1083 D1125 V1129 S1180 | Y1028-S1127 WeakPolarHBondContact CD1-O 3.37Å; Y1028-S1127 WeakPolarHBondContact CE1-O 3.42Å; E1083-S1127 PolarHBondContact OE2-OG 3.19Å; D1125-S1127 PolarHBondContact O-N 3.18Å; S1127-V1129 PolarHBondContact O-N 3.25Å; S1127-S1180 CarbonylContact C-O 3.22Å; S1127-S1180 WeakPolarHBondContact CA-O 3.36Å; S1127-S1180 VanDerWaalsContact O-O 3.12Å | ||
| 1128 | F | 25.7 | Very low | 32 | Very low | 150.6 Ų | 150.6 | 103.9 Ų | 103.9 | 66% | 0.661 | 54% | 0.537 | S | S | * | . | trans | -57.9 | 129.8 | 176.2 | -105.4 | -103.1 | 0 | 0 | 0 | 114 | Y1028 L1116 V1126 H1130 S1180 S1181 | Y1028-F1128 VanDerWaalsContact CE1-O 3.3Å; Y1028-F1128 WeakPolarHBondContact CE1-O 3.45Å; Y1028-F1128 PolarHBondContact OH-O 2.8Å; L1116-F1128 HydrophobicContact CD2-CE1 4.25Å; L1116-F1128 HydrophobicContact CD2-CZ 3.72Å; V1126-F1128 PolarHBondContact O-N 2.98Å; F1128-H1130 PolarHBondContact O-N 3.34Å; F1128-S1180 VanDerWaalsContact CD2-C 3.4Å; F1128-S1180 WeakPolarHBondContact CD2-O 3.47Å; F1128-S1180 PolarHBondContact N-O 3.41Å; F1128-S1181 WeakPolarHBondContact CB-OG 3.26Å; F1128-S1181 WeakPolarHBondContact CD1-OG 3.42Å; F1128-S1181 WeakPolarHBondContact CD2-OG 3.48Å; F1128-S1181 WeakPolarHBondContact CG-OG 3.44Å; F1128-S1181 WeakPolarHBondContact CZ-O 3.25Å | ||
| 1129 | V | 30.7 | Very low | 31.9 | Very low | 65.2 Ų | 65.2 | 103.6 Ų | 103.6 | 40% | 0.395 | 53% | 0.53 | S | S | . | . | trans | -103.1 | 121.7 | 163.8 | -178 | 0 | 0 | 0 | 0 | 108.9 | L967 Y1028 Y1073 I1079 N1081 S1127 L1131 | L967-V1129 HydrophobicContact CD1-CG1 4.29Å; L967-V1129 HydrophobicContact CD2-CG1 4.31Å; L967-V1129 HydrophobicContact CG-CG1 4.32Å; Y1028-V1129 HydrophobicContact CD1-CG2 4.03Å; Y1028-V1129 HydrophobicContact CD2-CG2 3.32Å; Y1028-V1129 HydrophobicContact CE1-CG2 3.92Å; Y1028-V1129 HydrophobicContact CE2-CG2 3.23Å; Y1028-V1129 HydrophobicContact CG-CG2 3.74Å; Y1073-V1129 HydrophobicContact CD2-CB 4.48Å; Y1073-V1129 HydrophobicContact CD2-CG1 3.52Å; Y1073-V1129 VanDerWaalsContact CD2-CG1 3.44Å; Y1073-V1129 HydrophobicContact CE2-CB 4.28Å; Y1073-V1129 HydrophobicContact CE2-CG1 3.68Å; Y1073-V1129 HydrophobicContact CE2-CG2 4.04Å; Y1073-V1129 HydrophobicContact CG-CG1 4.2Å; I1079-V1129 VanDerWaalsContact CG2-O 3.25Å; I1079-V1129 WeakPolarHBondContact CG2-O 3.33Å; N1081-V1129 HydrophobicContact CB-CG1 4.48Å; S1127-V1129 PolarHBondContact O-N 3.25Å; V1129-L1131 HydrophobicContact CB-CD1 3.92Å; V1129-L1131 HydrophobicContact CB-CG 4.44Å; V1129-L1131 HydrophobicContact CG1-CD1 3.68Å; V1129-L1131 HydrophobicContact CG1-CD2 4.15Å; V1129-L1131 HydrophobicContact CG1-CG 4.05Å; V1129-L1131 PolarHBondContact O-N 3.08Å | ||
| 1130 | H | 30.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 99.8 Ų | 99.8 | 55% | 0.546 | 53% | 0.525 | S | S | . | . | trans | -75.2 | 123 | 171.6 | -126.2 | -86.3 | 0 | 0 | 0 | 112 | T961 L1021 Y1073 I1079 F1128 E1132 | T961-H1130 PolarHBondContact OG1-CE1 2.94Å; T961-H1130 PolarHBondContact OG1-ND1 3.3Å; L1021-H1130 WeakPolarHBondContact CD1-CE1 2.98Å; Y1073-H1130 PolarHBondContact N-O 2.88Å; I1079-H1130 HydrophobicContact CB-CB 3.53Å; I1079-H1130 HydrophobicContact CD1-CB 3.72Å; I1079-H1130 WeakPolarHBondContact CD1-ND1 3.08Å; I1079-H1130 HydrophobicContact CG1-CB 3.32Å; I1079-H1130 HydrophobicContact CG2-CB 3.33Å; F1128-H1130 PolarHBondContact O-N 3.34Å; H1130-E1132 HydrophobicContact CB-CG 4.38Å; H1130-E1132 PolarHBondContact O-N 3.15Å | ||
| 1131 | L | 32.2 | Very low | 31.6 | Very low | 38.4 Ų | 38.4 | 97.7 Ų | 97.7 | 20% | 0.201 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.7 | 173 | -90.5 | 158.4 | 0 | 0 | 0 | 109.8 | F958 L960 T961 L967 L970 C1024 L1075 I1079 F1105 F1108 W1111 T1112 F1115 V1129 | F958-L1131 HydrophobicContact CD2-CD1 3.49Å; F958-L1131 VanDerWaalsContact CD2-CD1 3.49Å; F958-L1131 HydrophobicContact CE2-CD1 3.46Å; F958-L1131 VanDerWaalsContact CE2-CD1 3.46Å; F958-L1131 HydrophobicContact CG-CD1 4.46Å; F958-L1131 HydrophobicContact CZ-CD1 4.41Å; L960-L1131 HydrophobicContact CD1-CB 3.97Å; T961-L1131 PolarHBondContact N-O 2.97Å; L967-L1131 HydrophobicContact CD1-CD1 4.16Å; L967-L1131 HydrophobicContact CD1-CD2 3.6Å; L967-L1131 HydrophobicContact CD1-CG 4.33Å; L970-L1131 HydrophobicContact CD1-CD1 3.93Å; C1024-L1131 HydrophobicContact CB-CB 3.53Å; C1024-L1131 HydrophobicContact CB-CD1 3.95Å; C1024-L1131 WeakPolarHBondContact O-CB 3.19Å; C1024-L1131 VanDerWaalsContact O-CD1 3.26Å; C1024-L1131 WeakPolarHBondContact O-CD1 3.39Å; C1024-L1131 PolarHBondContact SG-O 2.87Å; L1075-L1131 HydrophobicContact CB-CD2 4.41Å; L1075-L1131 HydrophobicContact CD1-CB 3.66Å; L1075-L1131 HydrophobicContact CD1-CD2 3.77Å; L1075-L1131 VanDerWaalsContact CD1-CD2 3.44Å; L1075-L1131 HydrophobicContact CD1-CG 4.15Å; I1079-L1131 HydrophobicContact CG2-CB 4.01Å; I1079-L1131 HydrophobicContact CG2-CD1 4.45Å; I1079-L1131 HydrophobicContact CG2-CD2 3.3Å; I1079-L1131 HydrophobicContact CG2-CG 4.1Å; F1105-L1131 HydrophobicContact CD1-CD1 4.4Å; F1105-L1131 HydrophobicContact CD1-CD2 4.39Å; F1105-L1131 HydrophobicContact CE1-CD1 3.73Å; F1105-L1131 HydrophobicContact CE1-CD2 4.49Å; F1108-L1131 HydrophobicContact CD2-CD2 3.89Å; F1108-L1131 HydrophobicContact CE1-CD2 4.24Å; F1108-L1131 HydrophobicContact CE2-CD2 3.44Å; F1108-L1131 VanDerWaalsContact CE2-CD2 3.44Å; F1108-L1131 HydrophobicContact CG-CD2 4.45Å; F1108-L1131 HydrophobicContact CZ-CD2 3.63Å; W1111-L1131 HydrophobicContact CH2-CD1 4.18Å; W1111-L1131 HydrophobicContact CH2-CD2 4.25Å; W1111-L1131 HydrophobicContact CH2-CG 4.38Å; W1111-L1131 HydrophobicContact CZ3-CD2 3.88Å; W1111-L1131 HydrophobicContact CZ3-CG 4.33Å; T1112-L1131 WeakPolarHBondContact CG2-O 3.3Å; F1115-L1131 HydrophobicContact CE1-CD1 4.36Å; V1129-L1131 HydrophobicContact CB-CD1 3.92Å; V1129-L1131 HydrophobicContact CB-CG 4.44Å; V1129-L1131 HydrophobicContact CG1-CD1 3.68Å; V1129-L1131 HydrophobicContact CG1-CD2 4.15Å; V1129-L1131 HydrophobicContact CG1-CG 4.05Å; V1129-L1131 PolarHBondContact O-N 3.08Å |
| 1132 | E | 34.3 | Very low | 31.4 | Very low | 70.2 Ų | 70.2 | 96.9 Ų | 96.9 | 33% | 0.328 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.5 | 178.9 | -163.1 | 175.2 | -173.4 | 0 | 0 | 112.1 | T961 T963 C964 L967 Y1073 Q1074 L1075 L1077 R1078 I1079 I1080 H1094 H1130 S1134 | T961-E1132 WeakPolarHBondContact O-CA 3.19Å; T963-E1132 HydrophobicContact CG2-CG 4.41Å; T963-E1132 VanDerWaalsContact CG2-OE1 3.25Å; T963-E1132 WeakPolarHBondContact CG2-OE1 3.32Å; C964-E1132 WeakPolarHBondContact CB-O 3.28Å; C964-E1132 PolarHBondContact SG-O 3.28Å; L967-E1132 HydrophobicContact CD1-CB 3.66Å; L967-E1132 HydrophobicContact CD1-CG 4.38Å; Y1073-E1132 PolarHBondContact O-N 3.33Å; Q1074-E1132 CarbonylContact C-O 2.94Å; Q1074-E1132 VanDerWaalsContact C-O 3.28Å; Q1074-E1132 VanDerWaalsContact CA-O 3.31Å; Q1074-E1132 WeakPolarHBondContact CA-O 3.34Å; Q1074-E1132 PolarHBondContact NE2-OE2 3.42Å; L1075-E1132 WeakPolarHBondContact CB-O 3.48Å; L1075-E1132 PolarHBondContact N-O 3.21Å; L1077-E1132 CarbonylContact O-C 3.49Å; L1077-E1132 VanDerWaalsContact O-C 3.32Å; L1077-E1132 WeakPolarHBondContact O-CA 2.93Å; L1077-E1132 WeakPolarHBondContact O-CG 3.29Å; R1078-E1132 WeakPolarHBondContact CA-OE2 2.96Å; R1078-E1132 WeakPolarHBondContact CG-OE1 3.32Å; R1078-E1132 VanDerWaalsContact CG-OE2 3.27Å; R1078-E1132 WeakPolarHBondContact CG-OE2 2.97Å; I1079-E1132 CarbonylContact C-O 3.53Å; I1079-E1132 WeakPolarHBondContact CA-O 3.42Å; I1079-E1132 PolarHBondContact N-OE2 3.26Å; I1079-E1132 WeakPolarHBondContact O-CB 3.01Å; I1079-E1132 PolarHBondContact O-N 2.66Å; I1080-E1132 HydrophobicContact CB-CB 4.14Å; I1080-E1132 HydrophobicContact CD1-CB 4.28Å; I1080-E1132 HydrophobicContact CG1-CB 4.47Å; I1080-E1132 VanDerWaalsContact CG1-OE2 3.31Å; I1080-E1132 WeakPolarHBondContact CG1-OE2 2.91Å; I1080-E1132 PolarHBondContact N-O 2.89Å; I1080-E1132 VanDerWaalsContact N-O 3.12Å; I1080-E1132 PolarHBondContact N-OE2 3.23Å; I1080-E1132 VanDerWaalsContact N-OE2 3.09Å; I1080-E1132 PolarHBondContact O-N 3.47Å; H1094-E1132 IonicContact CD2-OE1 3.9Å; H1094-E1132 PolarHBondContact CD2-OE1 3.31Å; H1094-E1132 VanDerWaalsContact CD2-OE1 3.31Å; H1094-E1132 IonicContact CE1-OE1 3.09Å; H1094-E1132 IonicContact NE2-OE1 3.89Å; H1094-E1132 PolarHBondContact NE2-OE1 3.09Å; H1130-E1132 HydrophobicContact CB-CG 4.38Å; H1130-E1132 PolarHBondContact O-N 3.15Å; E1132-S1134 VanDerWaalsContact CD-OG 3.26Å; E1132-S1134 WeakPolarHBondContact CG-OG 3.29Å; E1132-S1134 WeakPolarHBondContact OE1-CB 3.14Å; E1132-S1134 PolarHBondContact OE1-OG 3.46Å |
| 1133 | L | 36.9 | Very low | 31.1 | Very low | 37.4 Ų | 37.4 | 99.5 Ų | 99.5 | 20% | 0.196 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.8 | 170.5 | -80.3 | 118.2 | 0 | 0 | 0 | 111.6 | L960 T961 V962 T963 C964 I987 L1016 L1020 C1024 L1075 L1077 R1078 I1079 L1092 L1104 F1108 W1111 T1112 A1135 | L960-L1133 HydrophobicContact CD1-CD1 3.87Å; L960-L1133 HydrophobicContact CD1-CG 4.09Å; L960-L1133 HydrophobicContact CD2-CD1 4.16Å; L960-L1133 HydrophobicContact CG-CD1 4.49Å; T961-L1133 PolarHBondContact O-N 3.36Å; V962-L1133 CarbonylContact C-O 3.5Å; V962-L1133 VanDerWaalsContact CA-O 3.22Å; V962-L1133 WeakPolarHBondContact CA-O 3.3Å; V962-L1133 HydrophobicContact CB-CD2 4.37Å; V962-L1133 HydrophobicContact CG1-CD1 3.31Å; V962-L1133 HydrophobicContact CG1-CD2 3.49Å; V962-L1133 VanDerWaalsContact CG1-CD2 3.49Å; V962-L1133 HydrophobicContact CG1-CG 3.89Å; T963-L1133 PolarHBondContact N-O 3.05Å; C964-L1133 HydrophobicContact CB-CG 4.39Å; I987-L1133 HydrophobicContact CG2-CD2 3.62Å; L1016-L1133 HydrophobicContact CD2-CD1 3.82Å; L1020-L1133 HydrophobicContact CD2-CD1 4.32Å; L1020-L1133 HydrophobicContact CD2-CD2 4.09Å; C1024-L1133 WeakPolarHBondContact SG-CD1 3.11Å; L1075-L1133 HydrophobicContact CB-CB 4.05Å; L1075-L1133 HydrophobicContact CB-CD2 3.73Å; L1075-L1133 HydrophobicContact CB-CG 3.56Å; L1075-L1133 HydrophobicContact CD1-CD2 4.46Å; L1075-L1133 HydrophobicContact CD1-CG 4.34Å; L1075-L1133 HydrophobicContact CD2-CD2 4.06Å; L1075-L1133 HydrophobicContact CD2-CG 4.21Å; L1075-L1133 HydrophobicContact CG-CD2 4.28Å; L1075-L1133 HydrophobicContact CG-CG 4.39Å; L1075-L1133 CarbonylContact O-C 3.53Å; L1075-L1133 WeakPolarHBondContact O-CA 3.21Å; L1075-L1133 WeakPolarHBondContact O-CB 3.11Å; L1077-L1133 HydrophobicContact CB-CB 4.09Å; L1077-L1133 HydrophobicContact CB-CD2 4.26Å; L1077-L1133 HydrophobicContact CD1-CB 4.14Å; L1077-L1133 HydrophobicContact CD1-CD2 4.44Å; L1077-L1133 HydrophobicContact CD2-CD2 3.9Å; L1077-L1133 HydrophobicContact CG-CD2 4.45Å; L1077-L1133 CarbonylContact O-C 3.38Å; L1077-L1133 WeakPolarHBondContact O-CA 3.34Å; L1077-L1133 PolarHBondContact O-N 3.06Å; R1078-L1133 CarbonylContact O-C 3.5Å; R1078-L1133 VanDerWaalsContact O-CA 3.27Å; R1078-L1133 WeakPolarHBondContact O-CA 3.35Å; I1079-L1133 HydrophobicContact CD1-CD1 4.21Å; I1079-L1133 HydrophobicContact CD1-CG 4.32Å; I1079-L1133 HydrophobicContact CG1-CD1 3.85Å; I1079-L1133 HydrophobicContact CG1-CD2 3.94Å; I1079-L1133 HydrophobicContact CG1-CG 3.59Å; L1092-L1133 HydrophobicContact CD1-CD2 3.6Å; L1104-L1133 HydrophobicContact CD1-CD1 3.98Å; L1104-L1133 HydrophobicContact CD1-CD2 4.36Å; F1108-L1133 HydrophobicContact CD1-CB 4.37Å; F1108-L1133 HydrophobicContact CD1-CD2 4.03Å; F1108-L1133 HydrophobicContact CE1-CD2 4Å; W1111-L1133 HydrophobicContact CB-CD1 3.77Å; W1111-L1133 HydrophobicContact CD2-CD1 4.43Å; W1111-L1133 HydrophobicContact CD2-CD2 4.46Å; W1111-L1133 HydrophobicContact CE3-CD1 3.79Å; W1111-L1133 HydrophobicContact CE3-CD2 3.59Å; W1111-L1133 HydrophobicContact CE3-CG 4.23Å; W1111-L1133 HydrophobicContact CG-CD1 4.48Å; W1111-L1133 HydrophobicContact CZ3-CD2 3.91Å; W1111-L1133 VanDerWaalsContact CZ3-CD2 3.47Å; T1112-L1133 HydrophobicContact CG2-CD1 4.21Å; L1133-A1135 PolarHBondContact O-N 3.06Å |
| 1134 | S | 37.1 | Very low | 30.9 | Very low | 27.2 Ų | 27.2 | 100.7 Ų | 100.7 | 19% | 0.19 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.5 | 170.9 | 61 | 0 | 0 | 0 | 0 | 111.5 | T963 Q965 Q1074 L1075 E1076 L1077 R1078 E1132 K1136 | T963-S1134 WeakPolarHBondContact O-CA 3.38Å; T963-S1134 WeakPolarHBondContact OG1-CA 3.35Å; Q965-S1134 PolarHBondContact O-OG 3.49Å; Q965-S1134 VanDerWaalsContact O-OG 3.08Å; Q1074-S1134 WeakPolarHBondContact CG-OG 3.24Å; Q1074-S1134 PolarHBondContact NE2-OG 3.23Å; Q1074-S1134 VanDerWaalsContact NE2-OG 3.14Å; L1075-S1134 PolarHBondContact O-N 3.13Å; L1075-S1134 VanDerWaalsContact O-O 3.14Å; E1076-S1134 WeakPolarHBondContact CA-O 3.32Å; E1076-S1134 WeakPolarHBondContact CA-OG 3.44Å; E1076-S1134 VanDerWaalsContact CB-O 3.28Å; E1076-S1134 WeakPolarHBondContact CB-O 3.06Å; E1076-S1134 WeakPolarHBondContact CB-OG 3.43Å; E1076-S1134 WeakPolarHBondContact CG-O 3.25Å; L1077-S1134 CarbonylContact C-O 3.47Å; L1077-S1134 VanDerWaalsContact C-O 3.25Å; L1077-S1134 WeakPolarHBondContact CA-O 3.45Å; L1077-S1134 PolarHBondContact N-O 2.86Å; L1077-S1134 PolarHBondContact O-N 2.78Å; R1078-S1134 WeakPolarHBondContact CB-OG 3.14Å; R1078-S1134 PolarHBondContact N-O 2.91Å; R1078-S1134 PolarHBondContact O-N 3Å; R1078-S1134 PolarHBondContact O-OG 3.25Å; E1132-S1134 VanDerWaalsContact CD-OG 3.26Å; E1132-S1134 WeakPolarHBondContact CG-OG 3.29Å; E1132-S1134 WeakPolarHBondContact OE1-CB 3.14Å; E1132-S1134 PolarHBondContact OE1-OG 3.46Å; S1134-K1136 PolarHBondContact O-N 3.12Å |
| 1135 | A | 36 | Very low | 30.6 | Very low | 50.8 Ų | 50.8 | 98.9 Ų | 98.9 | 42% | 0.42 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 120.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V962 T963 C964 Q965 L1075 E1076 L1077 F1105 L1133 L1137 | V962-A1135 HydrophobicContact CG1-CB 3.49Å; V962-A1135 VanDerWaalsContact CG1-CB 3.49Å; T963-A1135 PolarHBondContact O-N 3.42Å; C964-A1135 WeakPolarHBondContact CA-O 3.41Å; Q965-A1135 PolarHBondContact N-O 2.9Å; L1075-A1135 HydrophobicContact CD1-CB 4.4Å; L1075-A1135 HydrophobicContact CD2-CB 4.44Å; E1076-A1135 CarbonylContact O-C 3.59Å; E1076-A1135 VanDerWaalsContact O-CA 3.23Å; E1076-A1135 WeakPolarHBondContact O-CA 3.32Å; L1077-A1135 HydrophobicContact CB-CB 3.82Å; L1077-A1135 HydrophobicContact CD1-CB 3.69Å; L1077-A1135 HydrophobicContact CD2-CB 3.69Å; L1077-A1135 VanDerWaalsContact CD2-CB 3.47Å; L1077-A1135 HydrophobicContact CG-CB 4.32Å; F1105-A1135 HydrophobicContact CD1-CB 3.72Å; F1105-A1135 HydrophobicContact CE1-CB 3.67Å; L1133-A1135 PolarHBondContact O-N 3.06Å; A1135-L1137 PolarHBondContact O-N 3.37Å |
| 1136 | K | 36.8 | Very low | 30.2 | Very low | 112.8 Ų | 112.8 | 96.5 Ų | 96.5 | 49% | 0.49 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.9 | 178.4 | -162.8 | 178.2 | 166.2 | -168.9 | 0 | 110.3 | G983 D984 L1075 E1076 L1077 R1078 S1134 M1138 | G983-K1136 WeakPolarHBondContact O-CE 3.41Å; G983-K1136 PolarHBondContact O-NZ 3.11Å; D984-K1136 IonicContact OD1-NZ 3.69Å; D984-K1136 PolarHBondContact OD1-NZ 2.99Å; D984-K1136 IonicContact OD2-NZ 3.15Å; D984-K1136 PolarHBondContact OD2-NZ 2.95Å; L1075-K1136 CarbonylContact C-O 3.42Å; L1075-K1136 WeakPolarHBondContact CA-O 3.49Å; E1076-K1136 HydrophobicContact CB-CB 4.48Å; E1076-K1136 HydrophobicContact CG-CB 4.05Å; E1076-K1136 VanDerWaalsContact CG-N 3.32Å; E1076-K1136 PolarHBondContact N-O 3.19Å; E1076-K1136 PolarHBondContact O-N 2.97Å; E1076-K1136 WeakPolarHBondContact OE1-CA 3.18Å; E1076-K1136 WeakPolarHBondContact OE1-CB 3.13Å; E1076-K1136 VanDerWaalsContact OE1-CD 3.25Å; E1076-K1136 WeakPolarHBondContact OE1-CD 3.24Å; E1076-K1136 PolarHBondContact OE1-N 3.17Å; E1076-K1136 VanDerWaalsContact OE1-O 3.04Å; L1077-K1136 CarbonylContact C-O 2.86Å; L1077-K1136 PolarHBondContact O-N 3.37Å; R1078-K1136 VanDerWaalsContact CA-O 3.28Å; R1078-K1136 WeakPolarHBondContact CA-O 2.92Å; R1078-K1136 PolarHBondContact N-O 3.36Å; S1134-K1136 PolarHBondContact O-N 3.12Å; K1136-M1138 HydrophobicContact CD-CG 4.47Å; K1136-M1138 HydrophobicContact CD-SD 4.13Å; K1136-M1138 HydrophobicContact CG-CG 4.29Å; K1136-M1138 PolarHBondContact O-N 3.39Å |
| 1137 | L | 33.5 | Very low | 30 | Very low | 90.6 Ų | 90.6 | 96.3 Ų | 96.3 | 47% | 0.474 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.1 | 173.9 | -155.6 | 90.3 | 0 | 0 | 0 | 110.3 | L1021 C1024 Y1073 L1075 I1079 L1101 F1105 A1135 F1139 | L1021-L1137 HydrophobicContact CD1-CD1 3.6Å; C1024-L1137 HydrophobicContact CB-CD1 4.39Å; Y1073-L1137 HydrophobicContact CD1-CD1 4.31Å; Y1073-L1137 HydrophobicContact CD1-CD2 4.17Å; Y1073-L1137 HydrophobicContact CD1-CG 3.85Å; Y1073-L1137 HydrophobicContact CE1-CD2 4.1Å; Y1073-L1137 HydrophobicContact CE1-CG 4.44Å; Y1073-L1137 HydrophobicContact CG-CD1 4.22Å; Y1073-L1137 HydrophobicContact CG-CD2 4.25Å; Y1073-L1137 HydrophobicContact CG-CG 4.24Å; L1075-L1137 HydrophobicContact CB-CD1 4.45Å; L1075-L1137 HydrophobicContact CD1-CD1 4Å; I1079-L1137 WeakPolarHBondContact O-CD1 3.25Å; I1079-L1137 WeakPolarHBondContact O-CD2 3.17Å; I1079-L1137 WeakPolarHBondContact O-CG 2.97Å; L1101-L1137 HydrophobicContact CD2-CD1 4.32Å; F1105-L1137 HydrophobicContact CE2-CD1 4.1Å; F1105-L1137 HydrophobicContact CZ-CD1 4.34Å; A1135-L1137 PolarHBondContact O-N 3.37Å; L1137-F1139 HydrophobicContact CD2-CD2 4.47Å; L1137-F1139 HydrophobicContact CD2-CE2 3.58Å; L1137-F1139 HydrophobicContact CD2-CZ 4.02Å; L1137-F1139 HydrophobicContact CG-CE2 4.06Å; L1137-F1139 HydrophobicContact CG-CZ 4.44Å |
| 1138 | M | 31.9 | Very low | 29.8 | Very low | 74.6 Ų | 74.6 | 98.1 Ų | 98.1 | 37% | 0.367 | 54% | 0.543 | S | S | . | . | trans | -120.5 | 134.2 | 173.4 | -71.4 | -107.9 | -50 | 0 | 0 | 109.9 | A982 M1072 Y1073 Q1074 E1076 R1078 T1112 K1136 T1140 | A982-M1138 HydrophobicContact CB-CE 4.19Å; A982-M1138 HydrophobicContact CB-SD 3.6Å; A982-M1138 WeakPolarHBondContact O-CE 3.35Å; M1072-M1138 HydrophobicContact SD-CB 4.49Å; Y1073-M1138 HydrophobicContact CD1-SD 4.18Å; Q1074-M1138 HydrophobicContact CB-CB 4.49Å; Q1074-M1138 PolarHBondContact N-O 3.18Å; Q1074-M1138 WeakPolarHBondContact O-CB 3.43Å; Q1074-M1138 PolarHBondContact O-N 3.08Å; E1076-M1138 HydrophobicContact CG-CG 3.91Å; R1078-M1138 PolarHBondContact NH1-O 2.9Å; T1112-M1138 HydrophobicContact CG2-CE 3.89Å; T1112-M1138 HydrophobicContact CG2-CG 4.01Å; T1112-M1138 HydrophobicContact CG2-SD 4.04Å; K1136-M1138 HydrophobicContact CD-CG 4.47Å; K1136-M1138 HydrophobicContact CD-SD 4.13Å; K1136-M1138 HydrophobicContact CG-CG 4.29Å; K1136-M1138 PolarHBondContact O-N 3.39Å; M1138-T1140 HydrophobicContact CE-CG2 4.41Å | ||
| 1139 | F | 29.4 | Very low | 29.8 | Very low | 123.6 Ų | 123.6 | 96.5 Ų | 96.5 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | trans | -111.7 | 141.9 | 152 | -117.9 | -85.6 | 0 | 0 | 0 | 109.6 | T1069 M1072 Y1073 I1080 N1081 V1082 R1113 L1116 L1137 S1141 | T1069-F1139 WeakPolarHBondContact CA-O 3.46Å; T1069-F1139 VanDerWaalsContact CB-O 3.24Å; T1069-F1139 WeakPolarHBondContact CB-O 3.36Å; T1069-F1139 VanDerWaalsContact CG2-O 3.3Å; T1069-F1139 WeakPolarHBondContact CG2-O 3.2Å; M1072-F1139 WeakPolarHBondContact SD-CA 3.12Å; Y1073-F1139 HydrophobicContact CD1-CD2 4.47Å; Y1073-F1139 HydrophobicContact CE1-CB 4.48Å; Y1073-F1139 AromaticContact CE1-CD2 3.96Å; Y1073-F1139 HydrophobicContact CE1-CD2 4.02Å; Y1073-F1139 HydrophobicContact CE1-CE2 4.11Å; I1080-F1139 HydrophobicContact CB-CZ 4.35Å; I1080-F1139 HydrophobicContact CG2-CE1 4.16Å; I1080-F1139 HydrophobicContact CG2-CE2 4.07Å; I1080-F1139 HydrophobicContact CG2-CZ 3.44Å; I1080-F1139 VanDerWaalsContact CG2-CZ 3.44Å; N1081-F1139 VanDerWaalsContact O-CE2 3.29Å; N1081-F1139 WeakPolarHBondContact O-CE2 3.39Å; V1082-F1139 HydrophobicContact CG2-CZ 4.44Å; R1113-F1139 HydrophobicContact CG-CE1 3.9Å; L1116-F1139 HydrophobicContact CD2-CZ 4.21Å; L1137-F1139 HydrophobicContact CD2-CD2 4.47Å; L1137-F1139 HydrophobicContact CD2-CE2 3.58Å; L1137-F1139 HydrophobicContact CD2-CZ 4.02Å; L1137-F1139 HydrophobicContact CG-CE2 4.06Å; L1137-F1139 HydrophobicContact CG-CZ 4.44Å; F1139-S1141 PolarHBondContact O-N 2.87Å | ||
| 1140 | T | 29.6 | Very low | 29.5 | Very low | 80.4 Ų | 80.4 | 102 Ų | 102 | 49% | 0.493 | 57% | 0.567 | S | S | . | * | trans | -92.5 | 125.6 | 178.4 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | N1070 M1072 Q1074 R1113 M1138 N1142 | N1070-T1140 WeakPolarHBondContact OD1-CA 3.41Å; M1072-T1140 PolarHBondContact O-N 2.89Å; M1072-T1140 VanDerWaalsContact O-N 3.14Å; M1072-T1140 PolarHBondContact O-OG1 3.2Å; M1072-T1140 VanDerWaalsContact O-OG1 3.12Å; Q1074-T1140 HydrophobicContact CB-CG2 3.97Å; R1113-T1140 PolarHBondContact NH2-OG1 2.9Å; M1138-T1140 HydrophobicContact CE-CG2 4.41Å; T1140-N1142 PolarHBondContact O-N 2.74Å | ||
| 1141 | S | 25.7 | Very low | 29.2 | Very low | 98 Ų | 98 | 101.6 Ų | 101.6 | 69% | 0.685 | 58% | 0.577 | S | S | * | * | trans | -112.7 | 117.9 | 168.7 | 63.5 | 0 | 0 | 0 | 0 | 111.7 | T1069 N1070 F1139 E1143 | T1069-S1141 PolarHBondContact OG1-O 3.3Å; N1070-S1141 WeakPolarHBondContact OD1-CA 3.32Å; N1070-S1141 PolarHBondContact OD1-N 3.25Å; F1139-S1141 PolarHBondContact O-N 2.87Å; S1141-E1143 PolarHBondContact O-N 2.74Å; S1141-E1143 VanDerWaalsContact O-N 3.1Å | ||
| 1142 | N | 27.7 | Very low | 28.8 | Very low | 149 Ų | 149 | 104.5 Ų | 104.5 | 80% | 0.797 | 60% | 0.601 | S | S | * | * | trans | -109 | 106.4 | 174.5 | -97.9 | 8.4 | 0 | 0 | 0 | 111.8 | N1070 T1140 | N1070-N1142 PolarHBondContact ND2-OD1 3.28Å; T1140-N1142 PolarHBondContact O-N 2.74Å | ||
| 1143 | E | 25 | Very low | 28.3 | Very low | 175.8 Ų | 175.8 | 107.3 Ų | 107.3 | 82% | 0.821 | 62% | 0.623 | S | S | * | * | trans | -78.3 | 129 | 150.4 | -76.6 | -167.5 | 165.9 | 0 | 0 | 116.4 | S1141 | S1141-E1143 PolarHBondContact O-N 2.74Å; S1141-E1143 VanDerWaalsContact O-N 3.1Å | ||
| 1144 | L | 24.9 | Very low | 27.8 | Very low | 162.2 Ų | 162.2 | 111.6 Ų | 111.6 | 85% | 0.849 | 65% | 0.651 | S | S | * | * | trans | 111.2 | 119.3 | 153.8 | -111.9 | 94.4 | 0 | 0 | 0 | 115.8 | S1146 | L1144-S1146 PolarHBondContact O-N 2.76Å; L1144-S1146 VanDerWaalsContact O-N 3.14Å | ||
| 1145 | S | 23.7 | Very low | 27.2 | Very low | 107.2 Ų | 107.2 | 116.7 Ų | 116.7 | 75% | 0.75 | 68% | 0.681 | S | S | * | * | trans | -126.1 | 129.4 | 158.3 | 48.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1146 | S | 24.5 | Very low | 26.8 | Very low | 99.2 Ų | 99.2 | 120 Ų | 120 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | trans | -108.1 | 131.2 | 170.7 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | L1144 T1148 I1199 S1200 N1201 | L1144-S1146 PolarHBondContact O-N 2.76Å; L1144-S1146 VanDerWaalsContact O-N 3.14Å; S1146-T1148 PolarHBondContact O-N 2.93Å; S1146-I1199 CarbonylContact C-O 2.85Å; S1146-I1199 CarbonylContact O-C 2.79Å; S1146-S1200 CarbonylContact C-O 3.51Å; S1146-S1200 CarbonylContact O-C 3.07Å; S1146-S1200 WeakPolarHBondContact O-CA 3.14Å; S1146-S1200 PolarHBondContact O-N 3.49Å; S1146-N1201 CarbonylContact C-O 3.42Å; S1146-N1201 WeakPolarHBondContact CB-O 3.38Å; S1146-N1201 PolarHBondContact OG-O 3.34Å | ||
| 1147 | S | 23.5 | Very low | 26.2 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -133.7 | 114.4 | 155.1 | 64.3 | 0 | 0 | 0 | 0 | 117.4 | S1200 N1201 | S1147-S1200 CarbonylContact C-O 3.58Å; S1147-S1200 WeakPolarHBondContact CA-O 3.39Å; S1147-S1200 PolarHBondContact N-O 3.33Å; S1147-S1200 VanDerWaalsContact N-O 3.1Å; S1147-N1201 PolarHBondContact N-O 3.39Å | ||
| 1148 | T | 25.5 | Very low | 25.7 | Very low | 121.6 Ų | 121.6 | 119.5 Ų | 119.5 | 75% | 0.746 | 73% | 0.728 | S | S | * | * | trans | 177.8 | 133.4 | 158.5 | 42.8 | 0 | 0 | 0 | 0 | 114 | S1146 S1200 N1201 | S1146-T1148 PolarHBondContact O-N 2.93Å; T1148-S1200 CarbonylContact C-O 3.35Å; T1148-S1200 PolarHBondContact N-O 2.91Å; T1148-S1200 CarbonylContact O-C 3.4Å; T1148-S1200 PolarHBondContact O-OG 3.13Å; T1148-N1201 VanDerWaalsContact O-CB 3.24Å; T1148-N1201 WeakPolarHBondContact O-CB 3.27Å; T1148-N1201 PolarHBondContact O-OD1 2.62Å | ||
| 1149 | T | 25.6 | Very low | 25.2 | Very low | 117.8 Ų | 117.8 | 123.2 Ų | 123.2 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | trans | -137.4 | 143.3 | 147.1 | 52.2 | 0 | 0 | 0 | 0 | 114.8 | N1201 | T1149-N1201 PolarHBondContact N-ND2 3.48Å; T1149-N1201 PolarHBondContact O-ND2 3.47Å | ||
| 1150 | E | 24.7 | Very low | 24.9 | Very low | 180.6 Ų | 180.6 | 126.4 Ų | 126.4 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | trans | 78 | 126.1 | 146.7 | -73.8 | 176.9 | -173.5 | 0 | 0 | 117.5 | ||||
| 1151 | S | 24.4 | Very low | 24.5 | Very low | 108.6 Ų | 108.6 | 131.5 Ų | 131.5 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 126.1 | 135.6 | 140 | 64.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1152 | S | 24.1 | Very low | 24.3 | Very low | 100.8 Ų | 100.8 | 131 Ų | 131 | 71% | 0.705 | 78% | 0.778 | S | S | * | * | trans | 56.4 | 120.1 | 155.5 | 61.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1153 | T | 24.9 | Very low | 24.1 | Very low | 127.2 Ų | 127.2 | 128.2 Ų | 128.2 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | 72.5 | 104.7 | 121.4 | 52.1 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1154 | T | 25.5 | Very low | 24 | Very low | 127.6 Ų | 127.6 | 127.9 Ų | 127.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 96.7 | 136.2 | 131.5 | 38.4 | 0 | 0 | 0 | 0 | 117.4 | P1156 | T1154-P1156 WeakPolarHBondContact O-CD 3.36Š| ||
| 1155 | T | 25.1 | Very low | 23.9 | Very low | 134.8 Ų | 134.8 | 128.2 Ų | 128.2 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | -151.6 | 153.8 | 139.6 | 42.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1156 | P | 26.7 | Very low | 23.9 | Very low | 120.2 Ų | 120.2 | 129.1 Ų | 129.1 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | -126.5 | 160.1 | -151.5 | 38.3 | -23 | 0 | 0 | 0 | 115.7 | T1154 | T1154-P1156 WeakPolarHBondContact O-CD 3.36Š| ||
| 1157 | G | 23.5 | Very low | 23.8 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | trans | 141.6 | 103.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1159 | G1157-L1159 PolarHBondContact O-N 3.36Š| ||
| 1158 | S | 23.6 | Very low | 23.8 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -118.5 | 128.8 | 152.7 | 62 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1159 | L | 21.7 | Very low | 23.8 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | trans | -119.8 | 123.5 | 165.5 | -79.3 | 166.2 | 0 | 0 | 0 | 111.4 | R1113 G1157 F1161 | R1113-L1159 HydrophobicContact CB-CD1 3.63Å; G1157-L1159 PolarHBondContact O-N 3.36Å; L1159-F1161 PolarHBondContact O-N 2.71Å | ||
| 1160 | Q | 22.3 | Very low | 23.6 | Very low | 189.6 Ų | 189.6 | 132.6 Ų | 132.6 | 89% | 0.886 | 73% | 0.732 | S | S | * | * | trans | -116.7 | 127.7 | 169.1 | -82.6 | -178.2 | -39.2 | 0 | 0 | 110.8 | S1162 | Q1160-S1162 VanDerWaalsContact C-N 3.31Å; Q1160-S1162 PolarHBondContact O-N 3.01Å | ||
| 1161 | F | 22.4 | Very low | 23.5 | Very low | 187.4 Ų | 187.4 | 129.9 Ų | 129.9 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -105.8 | 142.7 | 163.6 | -85.8 | -79.9 | 0 | 0 | 0 | 110.4 | L1159 S1163 | L1159-F1161 PolarHBondContact O-N 2.71Å; F1161-S1163 PolarHBondContact O-N 3.15Å | ||
| 1162 | S | 22 | Very low | 23.5 | Very low | 89.4 Ų | 89.4 | 131.2 Ų | 131.2 | 63% | 0.625 | 72% | 0.72 | S | S | * | * | trans | -86.5 | 124.3 | 177.9 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | Q1160 Y1164 | Q1160-S1162 VanDerWaalsContact C-N 3.31Å; Q1160-S1162 PolarHBondContact O-N 3.01Å; S1162-Y1164 WeakPolarHBondContact O-CD2 3.19Å; S1162-Y1164 PolarHBondContact O-N 3.17Å; S1162-Y1164 VanDerWaalsContact O-N 3.14Å; S1162-Y1164 WeakPolarHBondContact OG-CE2 3.41Å | ||
| 1163 | S | 22.3 | Very low | 23.5 | Very low | 89.4 Ų | 89.4 | 132.8 Ų | 132.8 | 63% | 0.625 | 72% | 0.717 | S | S | * | * | trans | -80.5 | 95.7 | 171.7 | 78 | 0 | 0 | 0 | 0 | 115 | F1161 Y1165 K1316 | F1161-S1163 PolarHBondContact O-N 3.15Å; S1163-Y1165 PolarHBondContact O-N 3.05Å; S1163-Y1165 VanDerWaalsContact O-N 3.08Å; S1163-Y1165 WeakPolarHBondContact OG-CD2 3.46Å; S1163-K1316 VanDerWaalsContact OG-CD 3.31Å; S1163-K1316 WeakPolarHBondContact OG-CD 3.21Å; S1163-K1316 PolarHBondContact OG-NZ 3.46Å | ||
| 1164 | Y | 23 | Very low | 23.4 | Very low | 170.2 Ų | 170.2 | 131.5 Ų | 131.5 | 67% | 0.667 | 71% | 0.708 | S | S | * | * | trans | -89.2 | 104.8 | 167.5 | -93.1 | -92.3 | 0 | 0 | 0 | 114.1 | S1162 L1166 K1316 | S1162-Y1164 WeakPolarHBondContact O-CD2 3.19Å; S1162-Y1164 PolarHBondContact O-N 3.17Å; S1162-Y1164 VanDerWaalsContact O-N 3.14Å; S1162-Y1164 WeakPolarHBondContact OG-CE2 3.41Å; Y1164-L1166 PolarHBondContact O-N 3.38Å; Y1164-L1166 VanDerWaalsContact O-N 3.12Å; Y1164-K1316 VanDerWaalsContact CB-CD 3.47Å; Y1164-K1316 VanDerWaalsContact CB-CE 3.45Å; Y1164-K1316 WeakPolarHBondContact O-CB 3.27Å | ||
| 1165 | Y | 23.5 | Very low | 23.3 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 66% | 0.655 | 70% | 0.701 | S | S | * | * | trans | -94 | 130.1 | 159.4 | -94.6 | -103.9 | 0 | 0 | 0 | 114.2 | S1163 K1167 H1315 K1316 | S1163-Y1165 PolarHBondContact O-N 3.05Å; S1163-Y1165 VanDerWaalsContact O-N 3.08Å; S1163-Y1165 WeakPolarHBondContact OG-CD2 3.46Å; Y1165-K1167 PolarHBondContact O-N 3.07Å; Y1165-H1315 CarbonylContact O-C 3.15Å; Y1165-H1315 WeakPolarHBondContact O-CA 3.46Å; Y1165-H1315 PolarHBondContact O-ND1 3.37Å; Y1165-K1316 PolarHBondContact O-N 3.1Å | ||
| 1166 | L | 22.5 | Very low | 23.2 | Very low | 127.6 Ų | 127.6 | 128 Ų | 128 | 67% | 0.668 | 69% | 0.69 | S | S | * | * | trans | -40.9 | 57.5 | 146.6 | -89.1 | 169.3 | 0 | 0 | 0 | 115.3 | Y1164 V1168 P1313 L1314 H1315 | Y1164-L1166 PolarHBondContact O-N 3.38Å; Y1164-L1166 VanDerWaalsContact O-N 3.12Å; L1166-V1168 WeakPolarHBondContact O-CG2 3.43Å; L1166-V1168 PolarHBondContact O-N 3.07Å; L1166-V1168 VanDerWaalsContact O-N 3.13Å; L1166-P1313 HydrophobicContact CD2-CB 3.44Å; L1166-P1313 VanDerWaalsContact CD2-CB 3.44Å; L1166-P1313 HydrophobicContact CD2-CG 4.34Å; L1166-L1314 VanDerWaalsContact CB-C 3.48Å; L1166-L1314 WeakPolarHBondContact CB-O 3.16Å; L1166-L1314 WeakPolarHBondContact CD1-O 3.3Å; L1166-H1315 VanDerWaalsContact N-CG 3.33Å; L1166-H1315 PolarHBondContact N-ND1 2.91Å | ||
| 1167 | K | 22.5 | Very low | 23 | Very low | 157.6 Ų | 157.6 | 126.8 Ų | 126.8 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | trans | -57.7 | 105 | 164.8 | -100.3 | 176 | 179.8 | 176.9 | 0 | 114 | Y1165 F1169 T1279 H1315 | Y1165-K1167 PolarHBondContact O-N 3.07Å; K1167-F1169 PolarHBondContact NZ-O 2.86Å; K1167-F1169 PolarHBondContact O-N 3.37Å; K1167-T1279 VanDerWaalsContact NZ-CG2 3.28Å; K1167-H1315 HydrophobicContact CB-CB 3.85Å | ||
| 1168 | V | 24.5 | Very low | 23 | Very low | 101.6 Ų | 101.6 | 129.3 Ų | 129.3 | 62% | 0.616 | 67% | 0.672 | S | S | * | * | trans | -118.9 | 120.4 | 165.6 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | L1166 D1170 P1313 | L1166-V1168 WeakPolarHBondContact O-CG2 3.43Å; L1166-V1168 PolarHBondContact O-N 3.07Å; L1166-V1168 VanDerWaalsContact O-N 3.13Å; V1168-D1170 PolarHBondContact O-N 3.39Å; V1168-P1313 HydrophobicContact CB-CB 3.81Å; V1168-P1313 HydrophobicContact CG2-CB 3.54Å; V1168-P1313 PolarHBondContact N-O 3.23Å | ||
| 1169 | F | 24 | Very low | 23 | Very low | 148.6 Ų | 148.6 | 130 Ų | 130 | 65% | 0.652 | 66% | 0.662 | S | S | * | * | trans | -175.6 | 89.3 | 168.3 | -74.9 | -69.9 | 0 | 0 | 0 | 114.6 | V1102 K1167 N1171 P1313 P1398 | V1102-F1169 HydrophobicContact CG1-CE2 4.11Å; V1102-F1169 HydrophobicContact CG1-CZ 4.14Å; V1102-F1169 HydrophobicContact CG2-CE2 4.33Å; K1167-F1169 PolarHBondContact NZ-O 2.86Å; K1167-F1169 PolarHBondContact O-N 3.37Å; F1169-N1171 PolarHBondContact O-N 2.87Å; F1169-P1313 HydrophobicContact CD2-CB 4.37Å; F1169-P1313 HydrophobicContact CE2-CB 3.96Å; F1169-P1313 HydrophobicContact CE2-CG 3.84Å; F1169-P1398 HydrophobicContact CE1-CG 4.04Å | ||
| 1170 | D | 22.3 | Very low | 23.1 | Very low | 111.4 Ų | 111.4 | 126.3 Ų | 126.3 | 60% | 0.596 | 65% | 0.649 | S | S | * | * | trans | -135 | 130.9 | 166.2 | -84.7 | -35.1 | 0 | 0 | 0 | 112.1 | V1168 T1279 R1282 L1356 | V1168-D1170 PolarHBondContact O-N 3.39Å; D1170-T1279 WeakPolarHBondContact OD2-CA 3.23Å; D1170-T1279 PolarHBondContact OD2-N 3.18Å; D1170-R1282 VanDerWaalsContact OD1-CD 3.24Å; D1170-R1282 WeakPolarHBondContact OD1-CD 3.5Å; D1170-R1282 IonicContact OD1-CZ 2.69Å; D1170-R1282 IonicContact OD1-NE 3.76Å; D1170-R1282 IonicContact OD1-NH1 2.74Å; D1170-R1282 PolarHBondContact OD1-NH1 3.43Å; D1170-R1282 WeakPolarHBondContact OD2-CB 3.34Å; D1170-R1282 WeakPolarHBondContact OD2-CD 3.15Å; D1170-R1282 WeakPolarHBondContact OD2-CG 3.12Å; D1170-L1356 WeakPolarHBondContact OD1-CD2 3.35Å | ||
| 1171 | N | 23.6 | Very low | 23.2 | Very low | 123.6 Ų | 123.6 | 121.4 Ų | 121.4 | 66% | 0.661 | 64% | 0.636 | S | S | * | * | trans | 99.9 | 92.8 | 163.3 | -69.7 | -2.6 | 0 | 0 | 0 | 116.3 | F1169 I1276 N1278 | F1169-N1171 PolarHBondContact O-N 2.87Å; N1171-I1276 WeakPolarHBondContact OD1-CG2 3.07Å; N1171-N1278 PolarHBondContact ND2-OD1 3.07Å | ||
| 1172 | I | 24.4 | Very low | 23.3 | Very low | 134.2 Ų | 134.2 | 117.4 Ų | 117.4 | 69% | 0.688 | 63% | 0.631 | S | S | * | * | trans | -129.9 | 101.6 | 160.9 | -59.8 | 174.4 | 0 | 0 | 0 | 109.5 | V1174 T1357 | I1172-V1174 HydrophobicContact CG2-CG2 3.59Å; I1172-V1174 PolarHBondContact O-N 3.17Å; I1172-V1174 VanDerWaalsContact O-N 3.13Å; I1172-T1357 WeakPolarHBondContact O-CG2 3.35Å | ||
| 1173 | E | 22.5 | Very low | 23.4 | Very low | 134.4 Ų | 134.4 | 120.3 Ų | 120.3 | 63% | 0.628 | 64% | 0.639 | S | S | * | * | trans | -72.2 | 142 | 157.3 | -104.1 | 165.9 | 170.9 | 0 | 0 | 111.1 | N1175 T1357 K1358 P1359 N1360 S1399 | E1173-N1175 PolarHBondContact O-N 2.86Å; E1173-T1357 HydrophobicContact CB-CG2 4.26Å; E1173-T1357 HydrophobicContact CG-CG2 4.25Å; E1173-T1357 WeakPolarHBondContact OE1-CB 3.27Å; E1173-T1357 PolarHBondContact OE1-OG1 2.95Å; E1173-T1357 VanDerWaalsContact OE2-CB 3.29Å; E1173-T1357 WeakPolarHBondContact OE2-CB 3.19Å; E1173-T1357 PolarHBondContact OE2-OG1 2.64Å; E1173-K1358 VanDerWaalsContact OE2-CA 3.27Å; E1173-K1358 WeakPolarHBondContact OE2-CA 3.47Å; E1173-K1358 PolarHBondContact OE2-N 2.83Å; E1173-P1359 WeakPolarHBondContact OE2-CA 3.23Å; E1173-N1360 PolarHBondContact OE2-N 3.5Å; E1173-S1399 WeakPolarHBondContact CA-OG 3.26Å | ||
| 1174 | V | 24.1 | Very low | 23.5 | Very low | 100.8 Ų | 100.8 | 123.4 Ų | 123.4 | 61% | 0.611 | 65% | 0.647 | S | S | * | * | trans | -122.1 | 109 | 170.3 | 177.1 | 0 | 0 | 0 | 0 | 110 | I1172 A1176 N1360 F1366 S1399 K1403 | I1172-V1174 HydrophobicContact CG2-CG2 3.59Å; I1172-V1174 PolarHBondContact O-N 3.17Å; I1172-V1174 VanDerWaalsContact O-N 3.13Å; V1174-A1176 PolarHBondContact O-N 3.38Å; V1174-N1360 WeakPolarHBondContact CG1-ND2 3.16Å; V1174-N1360 WeakPolarHBondContact CG2-ND2 3.24Å; V1174-N1360 WeakPolarHBondContact CG2-OD1 3.45Å; V1174-F1366 HydrophobicContact CB-CZ 4.42Å; V1174-F1366 HydrophobicContact CG1-CE1 4.12Å; V1174-F1366 HydrophobicContact CG1-CZ 3.71Å; V1174-F1366 HydrophobicContact CG2-CE2 4.38Å; V1174-F1366 HydrophobicContact CG2-CZ 3.86Å; V1174-S1399 CarbonylContact C-O 3.6Å; V1174-S1399 PolarHBondContact N-OG 3.35Å; V1174-S1399 VanDerWaalsContact N-OG 3.1Å; V1174-K1403 WeakPolarHBondContact O-CD 3.37Å; V1174-K1403 WeakPolarHBondContact O-CE 3.39Å; V1174-K1403 WeakPolarHBondContact O-CG 3.23Å; V1174-K1403 PolarHBondContact O-NZ 3.13Å | ||
| 1175 | N | 22.5 | Very low | 23.6 | Very low | 118.8 Ų | 118.8 | 119.7 Ų | 119.7 | 64% | 0.635 | 65% | 0.652 | S | S | * | * | trans | -45 | 123.5 | 159 | -69.3 | -35.5 | 0 | 0 | 0 | 114.4 | E1173 T1177 I1374 N1375 S1399 K1403 | E1173-N1175 PolarHBondContact O-N 2.86Å; N1175-T1177 PolarHBondContact O-N 3.47Å; N1175-I1374 HydrophobicContact CB-CB 4.28Å; N1175-I1374 HydrophobicContact CB-CD1 3.65Å; N1175-I1374 HydrophobicContact CB-CG1 3.73Å; N1175-I1374 HydrophobicContact CB-CG2 3.81Å; N1175-N1375 PolarHBondContact OD1-ND2 2.74Å; N1175-S1399 PolarHBondContact N-O 3.32Å; N1175-K1403 WeakPolarHBondContact O-CE 3.4Å; N1175-K1403 PolarHBondContact O-NZ 3.31Å | ||
| 1176 | A | 22.5 | Very low | 23.6 | Very low | 69.8 Ų | 69.8 | 119.9 Ų | 119.9 | 58% | 0.577 | 66% | 0.663 | S | S | * | * | trans | -112.5 | 120.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | R951 V1174 Q1178 I1374 N1375 K1403 | R951-A1176 PolarHBondContact NH2-O 3.25Å; V1174-A1176 PolarHBondContact O-N 3.38Å; A1176-Q1178 PolarHBondContact O-N 2.76Å; A1176-I1374 VanDerWaalsContact CB-CA 3.5Å; A1176-I1374 WeakPolarHBondContact CB-O 3.18Å; A1176-N1375 VanDerWaalsContact CB-OD1 3.26Å; A1176-N1375 WeakPolarHBondContact CB-OD1 3.14Å; A1176-K1403 WeakPolarHBondContact O-CE 3.3Å | ||
| 1177 | T | 23.5 | Very low | 23.7 | Very low | 96.2 Ų | 96.2 | 117.2 Ų | 117.2 | 59% | 0.59 | 67% | 0.666 | S | S | * | * | trans | 63.8 | 123.8 | 146.9 | 44.3 | 0 | 0 | 0 | 0 | 117.6 | R951 N1175 Q1373 K1403 H1406 F1407 | R951-T1177 VanDerWaalsContact CZ-C 3.48Å; R951-T1177 PolarHBondContact NH1-O 2.87Å; R951-T1177 PolarHBondContact NH2-O 3.45Å; N1175-T1177 PolarHBondContact O-N 3.47Å; T1177-Q1373 HydrophobicContact CG2-CB 4.45Å; T1177-Q1373 HydrophobicContact CG2-CG 3.97Å; T1177-Q1373 VanDerWaalsContact OG1-CB 3.3Å; T1177-Q1373 WeakPolarHBondContact OG1-CB 3.49Å; T1177-Q1373 PolarHBondContact OG1-O 3.44Å; T1177-K1403 PolarHBondContact N-O 3.07Å; T1177-H1406 HydrophobicContact CG2-CB 4.38Å; T1177-F1407 HydrophobicContact CG2-CD2 4.1Å | ||
| 1178 | Q | 24.2 | Very low | 23.7 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 60% | 0.598 | 68% | 0.675 | S | S | * | * | trans | 73.1 | 157.3 | 140.8 | -82.3 | 172.2 | 2.3 | 0 | 0 | 113 | Y939 R951 I1122 A1176 F1407 I1408 N1411 | Y939-Q1178 VanDerWaalsContact OH-CA 3.32Å; Y939-Q1178 WeakPolarHBondContact OH-CA 3.38Å; R951-Q1178 WeakPolarHBondContact CD-O 3.08Å; R951-Q1178 PolarHBondContact NE-O 3Å; I1122-Q1178 HydrophobicContact CB-CG 4.16Å; I1122-Q1178 HydrophobicContact CD1-CB 4.41Å; I1122-Q1178 HydrophobicContact CD1-CG 3.53Å; I1122-Q1178 HydrophobicContact CG1-CG 3.7Å; I1122-Q1178 HydrophobicContact CG2-CG 4.06Å; A1176-Q1178 PolarHBondContact O-N 2.76Å; Q1178-F1407 VanDerWaalsContact CB-C 3.47Å; Q1178-F1407 HydrophobicContact CB-CB 3.42Å; Q1178-F1407 VanDerWaalsContact CB-CB 3.42Å; Q1178-F1407 HydrophobicContact CB-CD1 2.32Å; Q1178-F1407 HydrophobicContact CB-CD2 2.33Å; Q1178-F1407 HydrophobicContact CB-CE1 2.28Å; Q1178-F1407 HydrophobicContact CB-CE2 2.31Å; Q1178-F1407 HydrophobicContact CB-CG 2.29Å; Q1178-F1407 HydrophobicContact CB-CZ 2.29Å; Q1178-F1407 VanDerWaalsContact CB-O 3.31Å; Q1178-F1407 WeakPolarHBondContact CB-O 2.98Å; Q1178-F1407 HydrophobicContact CG-CB 3.92Å; Q1178-F1407 HydrophobicContact CG-CD1 2.7Å; Q1178-F1407 HydrophobicContact CG-CD2 3.8Å; Q1178-F1407 HydrophobicContact CG-CE1 2.79Å; Q1178-F1407 HydrophobicContact CG-CE2 3.87Å; Q1178-F1407 HydrophobicContact CG-CG 3.21Å; Q1178-F1407 HydrophobicContact CG-CZ 3.43Å; Q1178-F1407 VanDerWaalsContact CG-CZ 3.43Å; Q1178-F1407 WeakPolarHBondContact O-CE1 3.41Å; Q1178-F1407 PolarHBondContact OE1-O 3.49Å; Q1178-F1407 VanDerWaalsContact OE1-O 3.04Å; Q1178-I1408 VanDerWaalsContact CD-CA 3.41Å; Q1178-I1408 VanDerWaalsContact NE2-C 3.32Å; Q1178-I1408 PolarHBondContact NE2-O 3.33Å; Q1178-I1408 PolarHBondContact OE1-O 2.99Å; Q1178-N1411 VanDerWaalsContact OE1-N 3.13Å | ||
| 1179 | Q | 23.5 | Very low | 23.6 | Very low | 131.4 Ų | 131.4 | 122.4 Ų | 122.4 | 61% | 0.614 | 68% | 0.68 | S | S | * | * | -144.1 | 156.5 | -88 | -123.5 | 166.8 | -12.7 | 0 | 0 | 109.1 | Y939 I1122 F1407 N1411 | Y939-Q1179 WeakPolarHBondContact OH-CB 3.4Å; Y939-Q1179 PolarHBondContact OH-N 3.18Å; I1122-Q1179 HydrophobicContact CB-CG 4.37Å; I1122-Q1179 PolarHBondContact O-NE2 3.29Å; Q1179-F1407 HydrophobicContact CB-CE1 3.89Å; Q1179-F1407 HydrophobicContact CB-CE2 4.44Å; Q1179-F1407 HydrophobicContact CB-CZ 3.11Å; Q1179-F1407 VanDerWaalsContact CD-CZ 3.42Å; Q1179-F1407 HydrophobicContact CG-CE1 4.25Å; Q1179-F1407 HydrophobicContact CG-CZ 3.49Å; Q1179-F1407 VanDerWaalsContact CG-CZ 3.49Å; Q1179-N1411 VanDerWaalsContact CG-OD1 3.26Å; Q1179-N1411 WeakPolarHBondContact CG-OD1 3.33Å; Q1179-N1411 VanDerWaalsContact NE2-CG 3.33Å; Q1179-N1411 PolarHBondContact NE2-ND2 2.85Å; Q1179-N1411 PolarHBondContact NE2-OD1 2.57Å; Q1179-N1411 PolarHBondContact OE1-OD1 3.17Å; Q1179-N1411 VanDerWaalsContact OE1-OD1 3.06Å | |||
| 1180 | S | 23.4 | Very low | 23.7 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 52% | 0.524 | 68% | 0.683 | S | S | . | * | trans | 156.3 | 138.2 | 145.1 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | D1125 V1126 S1127 F1128 | D1125-S1180 WeakPolarHBondContact O-CB 2.91Å; D1125-S1180 PolarHBondContact O-OG 3.45Å; V1126-S1180 VanDerWaalsContact C-OG 3.27Å; V1126-S1180 CarbonylContact O-C 3.59Å; V1126-S1180 WeakPolarHBondContact O-CB 3.48Å; V1126-S1180 PolarHBondContact O-OG 2.86Å; V1126-S1180 VanDerWaalsContact O-OG 3.09Å; S1127-S1180 CarbonylContact C-O 3.22Å; S1127-S1180 WeakPolarHBondContact CA-O 3.36Å; S1127-S1180 VanDerWaalsContact O-O 3.12Å; F1128-S1180 VanDerWaalsContact CD2-C 3.4Å; F1128-S1180 WeakPolarHBondContact CD2-O 3.47Å; F1128-S1180 PolarHBondContact N-O 3.41Å | ||
| 1181 | S | 23.4 | Very low | 23.7 | Very low | 88 Ų | 88 | 122.5 Ų | 122.5 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | 100.7 | 133.7 | 110.5 | 63.9 | 0 | 0 | 0 | 0 | 115.8 | R1119 F1128 | R1119-S1181 PolarHBondContact NH2-O 3.33Å; F1128-S1181 WeakPolarHBondContact CB-OG 3.26Å; F1128-S1181 WeakPolarHBondContact CD1-OG 3.42Å; F1128-S1181 WeakPolarHBondContact CD2-OG 3.48Å; F1128-S1181 WeakPolarHBondContact CG-OG 3.44Å; F1128-S1181 WeakPolarHBondContact CZ-O 3.25Å | |||
| 1182 | S | 25.2 | Very low | 23.8 | Very low | 102.6 Ų | 102.6 | 122.3 Ų | 122.3 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | 149.5 | 139.3 | 92.1 | 60.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1183 | D | 23.1 | Very low | 23.8 | Very low | 150 Ų | 150 | 122.2 Ų | 122.2 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | trans | -102.3 | 150 | -177.3 | -68.6 | -65.5 | 0 | 0 | 0 | 113.2 | ||||
| 1184 | I | 24.6 | Very low | 23.9 | Very low | 154.4 Ų | 154.4 | 122.1 Ų | 122.1 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | trans | -164.5 | 126.8 | 138.4 | -72 | 169.8 | 0 | 0 | 0 | 113 | L1186 | I1184-L1186 PolarHBondContact O-N 2.98Š| ||
| 1185 | A | 24.7 | Very low | 24 | Very low | 92 Ų | 92 | 122.7 Ų | 122.7 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | trans | 106.4 | 123.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G1187 | A1185-G1187 PolarHBondContact O-N 3.35Š| ||
| 1186 | L | 23.7 | Very low | 24 | Very low | 172.2 Ų | 172.2 | 123 Ų | 123 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | trans | -137.5 | 132.8 | 172.3 | -94.5 | 166.3 | 0 | 0 | 0 | 111.9 | I1184 | I1184-L1186 PolarHBondContact O-N 2.98Š| ||
| 1187 | G | 25.2 | Very low | 24.2 | Very low | 70.6 Ų | 70.6 | 125.6 Ų | 125.6 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | trans | 169.3 | 136.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1185 L1189 | A1185-G1187 PolarHBondContact O-N 3.35Å; G1187-L1189 PolarHBondContact O-N 3.3Å | ||
| 1188 | R | 23.2 | Very low | 24.2 | Very low | 229 Ų | 229 | 127.1 Ų | 127.1 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | trans | -100.2 | 143.5 | 171.4 | -109.8 | -173.6 | 175.8 | -172.9 | -0.8 | 113.6 | ||||
| 1189 | L | 22.7 | Very low | 24.3 | Very low | 139.6 Ų | 139.6 | 128 Ų | 128 | 73% | 0.731 | 73% | 0.731 | S | S | * | * | trans | -174.7 | 147.4 | 152.5 | -78.8 | 171.1 | 0 | 0 | 0 | 114.5 | G1187 | G1187-L1189 PolarHBondContact O-N 3.3Š| ||
| 1190 | H | 24.7 | Very low | 24.5 | Very low | 151.8 Ų | 151.8 | 126 Ų | 126 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -117.5 | 151.5 | 143.9 | -98.2 | -64.7 | 0 | 0 | 0 | 114 | T1192 | H1190-T1192 PolarHBondContact O-N 3Š| ||
| 1191 | T | 23.8 | Very low | 24.6 | Very low | 109.4 Ų | 109.4 | 128.5 Ų | 128.5 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | -52.7 | 122.5 | 129 | 47.6 | 0 | 0 | 0 | 0 | 115 | P1457 | T1191-P1457 WeakPolarHBondContact O-CB 3.49Å; T1191-P1457 VanDerWaalsContact O-CG 3.25Å; T1191-P1457 WeakPolarHBondContact O-CG 3.08Å | |||
| 1192 | T | 24.2 | Very low | 24.9 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | 152.5 | 133.2 | 134.8 | 43.8 | 0 | 0 | 0 | 0 | 114.8 | H1190 P1457 | H1190-T1192 PolarHBondContact O-N 3Å; T1192-P1457 WeakPolarHBondContact O-CD 3.4Å; T1192-P1457 VanDerWaalsContact O-CG 3.27Å; T1192-P1457 WeakPolarHBondContact O-CG 2.94Å | ||
| 1193 | D | 24.3 | Very low | 25 | Very low | 131.4 Ų | 131.4 | 131.8 Ų | 131.8 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | trans | -140.4 | 151.5 | 157.1 | -77.6 | -54.4 | 0 | 0 | 0 | 112.8 | M1456 | D1193-M1456 WeakPolarHBondContact O-CA 3.44Å; D1193-M1456 PolarHBondContact O-N 2.85Å | ||
| 1194 | N | 24.9 | Very low | 25.3 | Very low | 131.2 Ų | 131.2 | 131 Ų | 131 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | -175.5 | 148.2 | 105.7 | -94.5 | -58.8 | 0 | 0 | 0 | 113.4 | |||||
| 1195 | T | 26.1 | Very low | 25.5 | Very low | 114.2 Ų | 114.2 | 129.8 Ų | 129.8 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | 84.6 | 127.6 | 148.6 | 53.5 | 0 | 0 | 0 | 0 | 118.8 | N1454 | T1195-N1454 WeakPolarHBondContact CG2-OD1 3.02Å; T1195-N1454 PolarHBondContact OG1-ND2 2.69Å | ||
| 1196 | T | 24 | Very low | 25.6 | Very low | 125.8 Ų | 125.8 | 132.5 Ų | 132.5 | 77% | 0.772 | 73% | 0.734 | S | S | * | * | trans | 51.1 | 142.4 | 137.1 | 58.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1197 | T | 25.6 | Very low | 25.8 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | trans | 174.2 | 114.1 | 142.8 | 41.9 | 0 | 0 | 0 | 0 | 114.3 | I1199 | T1197-I1199 PolarHBondContact O-N 3.29Š| ||
| 1198 | T | 24 | Very low | 25.8 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -6.9 | 140.2 | 135.9 | 42.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1199 | I | 26.9 | Very low | 26 | Very low | 148.2 Ų | 148.2 | 129.9 Ų | 129.9 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | trans | 131.7 | 129.7 | 162.4 | -63.3 | 167.8 | 0 | 0 | 0 | 111.9 | S1146 T1197 | S1146-I1199 CarbonylContact C-O 2.85Å; S1146-I1199 CarbonylContact O-C 2.79Å; T1197-I1199 PolarHBondContact O-N 3.29Å | ||
| 1200 | S | 26 | Very low | 26.2 | Very low | 89.2 Ų | 89.2 | 129.8 Ų | 129.8 | 62% | 0.624 | 72% | 0.724 | S | S | * | * | trans | -116.7 | 153.1 | -147 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | S1146 S1147 T1148 N1202 | S1146-S1200 CarbonylContact C-O 3.51Å; S1146-S1200 CarbonylContact O-C 3.07Å; S1146-S1200 WeakPolarHBondContact O-CA 3.14Å; S1146-S1200 PolarHBondContact O-N 3.49Å; S1147-S1200 CarbonylContact C-O 3.58Å; S1147-S1200 WeakPolarHBondContact CA-O 3.39Å; S1147-S1200 PolarHBondContact N-O 3.33Å; S1147-S1200 VanDerWaalsContact N-O 3.1Å; T1148-S1200 CarbonylContact C-O 3.35Å; T1148-S1200 PolarHBondContact N-O 2.91Å; T1148-S1200 CarbonylContact O-C 3.4Å; T1148-S1200 PolarHBondContact O-OG 3.13Å; S1200-N1202 PolarHBondContact O-N 2.82Å | ||
| 1201 | N | 27.2 | Very low | 26.4 | Very low | 126.6 Ų | 126.6 | 130.3 Ų | 130.3 | 68% | 0.677 | 73% | 0.732 | S | S | * | * | trans | 39.6 | 137.2 | 147.3 | -70.8 | 4.7 | 0 | 0 | 0 | 118.9 | S1146 S1147 T1148 T1149 N1203 | S1146-N1201 CarbonylContact C-O 3.42Å; S1146-N1201 WeakPolarHBondContact CB-O 3.38Å; S1146-N1201 PolarHBondContact OG-O 3.34Å; S1147-N1201 PolarHBondContact N-O 3.39Å; T1148-N1201 VanDerWaalsContact O-CB 3.24Å; T1148-N1201 WeakPolarHBondContact O-CB 3.27Å; T1148-N1201 PolarHBondContact O-OD1 2.62Å; T1149-N1201 PolarHBondContact N-ND2 3.48Å; T1149-N1201 PolarHBondContact O-ND2 3.47Å; N1201-N1203 PolarHBondContact O-N 3.32Å | ||
| 1202 | N | 29.2 | Very low | 26.5 | Very low | 130.4 Ų | 130.4 | 133.3 Ų | 133.3 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | -166.2 | 131.2 | 70.2 | -104.7 | -11.7 | 0 | 0 | 0 | 114 | S1200 N1204 | S1200-N1202 PolarHBondContact O-N 2.82Å; N1202-N1204 PolarHBondContact O-N 2.76Å | |||
| 1203 | N | 27.7 | Very low | 26.6 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | trans | 27.9 | 125 | 142.9 | -63.7 | -5.1 | 0 | 0 | 0 | 117.7 | N1201 | N1201-N1203 PolarHBondContact O-N 3.32Š| ||
| 1204 | N | 29.3 | Very low | 26.9 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | -175.7 | 121.2 | 89.9 | -89.1 | -25.7 | 0 | 0 | 0 | 113.8 | N1202 | N1202-N1204 PolarHBondContact O-N 2.76Š| |||
| 1205 | N | 27.4 | Very low | 27 | Very low | 128.2 Ų | 128.2 | 136.4 Ų | 136.4 | 69% | 0.686 | 74% | 0.744 | S | S | * | * | trans | 53.8 | 125.1 | 135.4 | -60.7 | -7.3 | 0 | 0 | 0 | 118.7 | ||||
| 1206 | N | 27.9 | Very low | 27 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | 113.7 | 135.6 | 130 | -69.4 | -16.4 | 0 | 0 | 0 | 116.2 | |||||
| 1207 | S | 26.5 | Very low | 27.2 | Very low | 105.6 Ų | 105.6 | 134.5 Ų | 134.5 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | 114 | 126.5 | 137 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1208 | L | 26 | Very low | 27.6 | Very low | 148.6 Ų | 148.6 | 131.6 Ų | 131.6 | 78% | 0.778 | 71% | 0.714 | S | S | * | * | -161.8 | 149.8 | 119.5 | -124.6 | 78.4 | 0 | 0 | 0 | 110.1 | D1210 | L1208-D1210 VanDerWaalsContact CD2-OD1 3.29Å; L1208-D1210 WeakPolarHBondContact CD2-OD1 3.46Å | |||
| 1209 | E | 27 | Very low | 27.8 | Very low | 162.8 Ų | 162.8 | 132 Ų | 132 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | trans | 55.6 | 114.2 | 164.3 | -68.8 | 166 | 178.4 | 0 | 0 | 114.7 | ||||
| 1210 | D | 26.8 | Very low | 28.1 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | 36 | 112.3 | 126.9 | -62.4 | -19.9 | 0 | 0 | 0 | 115 | L1208 | L1208-D1210 VanDerWaalsContact CD2-OD1 3.29Å; L1208-D1210 WeakPolarHBondContact CD2-OD1 3.46Å | |||
| 1211 | D | 28.4 | Very low | 28.5 | Very low | 162.6 Ų | 162.6 | 132 Ų | 132 | 87% | 0.87 | 69% | 0.693 | S | S | * | * | -167.2 | 111.9 | 128.3 | -90.9 | -27.5 | 0 | 0 | 0 | 110.7 | |||||
| 1212 | E | 26.7 | Very low | 28.8 | Very low | 171.8 Ų | 171.8 | 129.9 Ų | 129.9 | 80% | 0.803 | 68% | 0.681 | S | S | * | * | trans | -103.2 | 106 | 171.3 | -77.3 | -90.1 | 171.6 | 0 | 0 | 113 | ||||
| 1213 | D | 27.1 | Very low | 28.8 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | trans | -165.1 | 120.1 | 156.5 | -119.9 | -11.1 | 0 | 0 | 0 | 113.2 | ||||
| 1214 | H | 29.5 | Very low | 29.1 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | trans | -174 | 124.8 | 170.7 | -64.1 | -26 | 0 | 0 | 0 | 114.5 | ||||
| 1215 | L | 27.5 | Very low | 29.5 | Very low | 150.2 Ų | 150.2 | 121.9 Ų | 121.9 | 79% | 0.786 | 64% | 0.638 | S | S | * | * | trans | -100.8 | 115 | 164.1 | -76.8 | 118.6 | 0 | 0 | 0 | 113.2 | ||||
| 1216 | L | 26.5 | Very low | 29.9 | Very low | 117.2 Ų | 117.2 | 118.7 Ų | 118.7 | 61% | 0.614 | 62% | 0.621 | S | S | * | * | trans | -112 | 129.3 | 159.6 | -71.9 | 164.5 | 0 | 0 | 0 | 112 | F1108 S1218 L1220 | F1108-L1216 HydrophobicContact CE1-CD2 4.3Å; L1216-S1218 VanDerWaalsContact C-N 3.28Å; L1216-S1218 WeakPolarHBondContact CD2-OG 3.38Å; L1216-S1218 PolarHBondContact O-N 3.07Å; L1216-L1220 HydrophobicContact CB-CB 3.46Å; L1216-L1220 VanDerWaalsContact CB-CB 3.46Å; L1216-L1220 HydrophobicContact CB-CD1 3.97Å; L1216-L1220 HydrophobicContact CB-CD2 4.14Å; L1216-L1220 HydrophobicContact CB-CG 4.02Å; L1216-L1220 HydrophobicContact CD1-CD1 3.95Å; L1216-L1220 HydrophobicContact CD1-CD2 3.72Å; L1216-L1220 HydrophobicContact CD1-CG 4.27Å; L1216-L1220 HydrophobicContact CD2-CD1 4.38Å; L1216-L1220 HydrophobicContact CG-CD1 4.3Å | ||
| 1217 | P | 28.7 | Very low | 30.3 | Very low | 82.8 Ų | 82.8 | 114.5 Ų | 114.5 | 54% | 0.538 | 60% | 0.598 | S | S | . | * | -115.2 | 78.1 | 120.5 | 25.7 | -18.3 | 0 | 0 | 0 | 115.3 | E1219 L1220 K1221 | P1217-E1219 HydrophobicContact CB-CB 4.44Å; P1217-E1219 PolarHBondContact O-N 3.39Å; P1217-L1220 HydrophobicContact CB-CB 4.43Å; P1217-L1220 HydrophobicContact CG-CB 4.22Å; P1217-L1220 HydrophobicContact CG-CD1 4.1Å; P1217-L1220 CarbonylContact O-C 3Å; P1217-L1220 WeakPolarHBondContact O-CA 3.15Å; P1217-L1220 PolarHBondContact O-N 2.81Å; P1217-K1221 PolarHBondContact O-N 3.07Å | |||
| 1218 | S | 32.7 | Very low | 30.9 | Very low | 64 Ų | 64 | 114.2 Ų | 114.2 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -80.7 | -31.6 | -178.6 | 28.9 | 0 | 0 | 0 | 0 | 114.6 | L1216 L1220 K1221 I1222 | L1216-S1218 VanDerWaalsContact C-N 3.28Å; L1216-S1218 WeakPolarHBondContact CD2-OG 3.38Å; L1216-S1218 PolarHBondContact O-N 3.07Å; S1218-L1220 VanDerWaalsContact C-N 3.29Å; S1218-L1220 PolarHBondContact O-N 3.02Å; S1218-K1221 PolarHBondContact O-N 3.01Å; S1218-I1222 WeakPolarHBondContact O-CD1 3.35Å; S1218-I1222 VanDerWaalsContact O-CG1 3.22Å; S1218-I1222 WeakPolarHBondContact O-CG1 3.28Å; S1218-I1222 PolarHBondContact O-N 3.13Å |
| 1219 | E | 29.7 | Very low | 31.4 | Very low | 134.6 Ų | 134.6 | 115 Ų | 115 | 63% | 0.629 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.3 | -32.3 | -173.8 | -62.1 | -174.4 | 152.8 | 0 | 0 | 113.4 | P1217 K1221 I1222 F1223 | P1217-E1219 HydrophobicContact CB-CB 4.44Å; P1217-E1219 PolarHBondContact O-N 3.39Å; E1219-K1221 VanDerWaalsContact C-N 3.32Å; E1219-K1221 PolarHBondContact O-N 3.26Å; E1219-I1222 WeakPolarHBondContact O-CB 3.27Å; E1219-I1222 PolarHBondContact O-N 3.1Å; E1219-I1222 VanDerWaalsContact O-N 3.08Å; E1219-F1223 WeakPolarHBondContact O-CD2 3.3Å; E1219-F1223 PolarHBondContact O-N 2.98Å |
| 1220 | L | 31.6 | Very low | 31.9 | Very low | 85 Ų | 85 | 111.8 Ų | 111.8 | 45% | 0.445 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.2 | -36.7 | 179.3 | -91.5 | 148.9 | 0 | 0 | 0 | 113.1 | L1216 P1217 S1218 I1222 F1223 D1224 D1280 | L1216-L1220 HydrophobicContact CB-CB 3.46Å; L1216-L1220 VanDerWaalsContact CB-CB 3.46Å; L1216-L1220 HydrophobicContact CB-CD1 3.97Å; L1216-L1220 HydrophobicContact CB-CD2 4.14Å; L1216-L1220 HydrophobicContact CB-CG 4.02Å; L1216-L1220 HydrophobicContact CD1-CD1 3.95Å; L1216-L1220 HydrophobicContact CD1-CD2 3.72Å; L1216-L1220 HydrophobicContact CD1-CG 4.27Å; L1216-L1220 HydrophobicContact CD2-CD1 4.38Å; L1216-L1220 HydrophobicContact CG-CD1 4.3Å; P1217-L1220 HydrophobicContact CB-CB 4.43Å; P1217-L1220 HydrophobicContact CG-CB 4.22Å; P1217-L1220 HydrophobicContact CG-CD1 4.1Å; P1217-L1220 CarbonylContact O-C 3Å; P1217-L1220 WeakPolarHBondContact O-CA 3.15Å; P1217-L1220 PolarHBondContact O-N 2.81Å; S1218-L1220 VanDerWaalsContact C-N 3.29Å; S1218-L1220 PolarHBondContact O-N 3.02Å; L1220-I1222 VanDerWaalsContact C-N 3.3Å; L1220-I1222 PolarHBondContact O-N 3.02Å; L1220-F1223 HydrophobicContact CD2-CB 4Å; L1220-F1223 HydrophobicContact CG-CB 4.33Å; L1220-F1223 HydrophobicContact CG-CD2 4.17Å; L1220-F1223 CarbonylContact O-C 3.48Å; L1220-F1223 WeakPolarHBondContact O-CA 3.09Å; L1220-F1223 WeakPolarHBondContact O-CB 3.42Å; L1220-F1223 PolarHBondContact O-N 3.08Å; L1220-D1224 WeakPolarHBondContact O-CB 3.4Å; L1220-D1224 PolarHBondContact O-N 3.05Å; L1220-D1280 VanDerWaalsContact CD2-OD1 3.31Å; L1220-D1280 WeakPolarHBondContact CD2-OD1 3.3Å |
| 1221 | K | 34.1 | Very low | 32.2 | Very low | 153.4 Ų | 153.4 | 110.8 Ų | 110.8 | 67% | 0.667 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.1 | -26.7 | 172.1 | -72.6 | -171.8 | 175.8 | -176.2 | 0 | 112.7 | P1217 S1218 E1219 D1224 S1225 | P1217-K1221 PolarHBondContact O-N 3.07Å; S1218-K1221 PolarHBondContact O-N 3.01Å; E1219-K1221 VanDerWaalsContact C-N 3.32Å; E1219-K1221 PolarHBondContact O-N 3.26Å; K1221-D1224 PolarHBondContact O-N 3.05Å; K1221-S1225 VanDerWaalsContact O-CB 3.26Å; K1221-S1225 WeakPolarHBondContact O-CB 3.32Å; K1221-S1225 PolarHBondContact O-N 3.05Å; K1221-S1225 PolarHBondContact O-OG 3.36Å |
| 1222 | I | 34 | Very low | 32.6 | Very low | 82 Ų | 82 | 109.5 Ų | 109.5 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.5 | -38.7 | 174.4 | -63.7 | 170.4 | 0 | 0 | 0 | 110.5 | S1218 E1219 L1220 S1225 I1226 | S1218-I1222 WeakPolarHBondContact O-CD1 3.35Å; S1218-I1222 VanDerWaalsContact O-CG1 3.22Å; S1218-I1222 WeakPolarHBondContact O-CG1 3.28Å; S1218-I1222 PolarHBondContact O-N 3.13Å; E1219-I1222 WeakPolarHBondContact O-CB 3.27Å; E1219-I1222 PolarHBondContact O-N 3.1Å; E1219-I1222 VanDerWaalsContact O-N 3.08Å; L1220-I1222 VanDerWaalsContact C-N 3.3Å; L1220-I1222 PolarHBondContact O-N 3.02Å; I1222-S1225 WeakPolarHBondContact O-CB 3.24Å; I1222-S1225 PolarHBondContact O-N 3.35Å; I1222-S1225 PolarHBondContact O-OG 3.16Å; I1222-I1226 HydrophobicContact CG2-CD1 3.82Å; I1222-I1226 HydrophobicContact CG2-CG1 4.36Å; I1222-I1226 WeakPolarHBondContact O-CB 3.29Å; I1222-I1226 WeakPolarHBondContact O-CD1 3.43Å; I1222-I1226 VanDerWaalsContact O-CG1 3.26Å; I1222-I1226 WeakPolarHBondContact O-CG1 3.28Å; I1222-I1226 PolarHBondContact O-N 3.1Å; I1222-I1226 VanDerWaalsContact O-N 3.09Å |
| 1223 | F | 30.3 | Very low | 33.1 | Very low | 103 Ų | 103 | 107.6 Ų | 107.6 | 45% | 0.452 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 176.6 | -82.1 | -75.1 | 0 | 0 | 0 | 113.2 | E1219 L1220 S1225 I1226 I1227 T1279 I1283 | E1219-F1223 WeakPolarHBondContact O-CD2 3.3Å; E1219-F1223 PolarHBondContact O-N 2.98Å; L1220-F1223 HydrophobicContact CD2-CB 4Å; L1220-F1223 HydrophobicContact CG-CB 4.33Å; L1220-F1223 HydrophobicContact CG-CD2 4.17Å; L1220-F1223 CarbonylContact O-C 3.48Å; L1220-F1223 WeakPolarHBondContact O-CA 3.09Å; L1220-F1223 WeakPolarHBondContact O-CB 3.42Å; L1220-F1223 PolarHBondContact O-N 3.08Å; F1223-S1225 VanDerWaalsContact C-N 3.29Å; F1223-S1225 PolarHBondContact O-N 3.23Å; F1223-I1226 HydrophobicContact CD1-CD1 4.45Å; F1223-I1226 WeakPolarHBondContact O-CB 3.48Å; F1223-I1226 PolarHBondContact O-N 3.04Å; F1223-I1226 VanDerWaalsContact O-N 3.16Å; F1223-I1227 WeakPolarHBondContact O-CD1 3.45Å; F1223-I1227 VanDerWaalsContact O-CG1 3.22Å; F1223-I1227 WeakPolarHBondContact O-CG1 3.33Å; F1223-I1227 PolarHBondContact O-N 3.24Å; F1223-I1227 VanDerWaalsContact O-N 3.08Å; F1223-T1279 HydrophobicContact CE1-CG2 4.03Å; F1223-T1279 HydrophobicContact CE2-CG2 4.39Å; F1223-T1279 HydrophobicContact CZ-CG2 3.64Å; F1223-I1283 HydrophobicContact CE1-CD1 4.47Å |
| 1224 | D | 34.6 | Very low | 33.4 | Very low | 64.2 Ų | 64.2 | 107.3 Ų | 107.3 | 34% | 0.343 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.3 | -70.2 | -28 | 0 | 0 | 0 | 110.4 | K841 L1220 K1221 I1226 I1227 D1228 K1317 | K841-D1224 IonicContact NZ-OD2 2.72Å; K841-D1224 PolarHBondContact NZ-OD2 3.21Å; L1220-D1224 WeakPolarHBondContact O-CB 3.4Å; L1220-D1224 PolarHBondContact O-N 3.05Å; K1221-D1224 PolarHBondContact O-N 3.05Å; D1224-I1226 VanDerWaalsContact C-N 3.34Å; D1224-I1226 PolarHBondContact O-N 3.13Å; D1224-I1226 VanDerWaalsContact O-N 3.13Å; D1224-I1227 CarbonylContact O-C 3.56Å; D1224-I1227 WeakPolarHBondContact O-CA 3.3Å; D1224-I1227 WeakPolarHBondContact O-CB 3.4Å; D1224-I1227 PolarHBondContact O-N 3.09Å; D1224-I1227 VanDerWaalsContact O-N 3.07Å; D1224-D1228 WeakPolarHBondContact O-CB 3.29Å; D1224-D1228 PolarHBondContact O-N 3.33Å; D1224-D1228 VanDerWaalsContact O-N 3.16Å; D1224-K1317 WeakPolarHBondContact OD1-CE 2.76Å; D1224-K1317 IonicContact OD1-NZ 3.07Å; D1224-K1317 PolarHBondContact OD1-NZ 3.44Å |
| 1225 | S | 36.9 | Very low | 33.7 | Very low | 58 Ų | 58 | 106.4 Ų | 106.4 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.6 | -20.6 | 176.5 | 76.4 | 0 | 0 | 0 | 0 | 114.8 | K1221 I1222 F1223 R1229 | K1221-S1225 VanDerWaalsContact O-CB 3.26Å; K1221-S1225 WeakPolarHBondContact O-CB 3.32Å; K1221-S1225 PolarHBondContact O-N 3.05Å; K1221-S1225 PolarHBondContact O-OG 3.36Å; I1222-S1225 WeakPolarHBondContact O-CB 3.24Å; I1222-S1225 PolarHBondContact O-N 3.35Å; I1222-S1225 PolarHBondContact O-OG 3.16Å; F1223-S1225 VanDerWaalsContact C-N 3.29Å; F1223-S1225 PolarHBondContact O-N 3.23Å; S1225-R1229 WeakPolarHBondContact O-CB 3.26Å; S1225-R1229 WeakPolarHBondContact O-CD 3.23Å; S1225-R1229 WeakPolarHBondContact O-CG 3.22Å; S1225-R1229 PolarHBondContact O-N 3.17Å; S1225-R1229 VanDerWaalsContact O-N 3.12Å; S1225-R1229 PolarHBondContact O-NE 2.93Å; S1225-R1229 PolarHBondContact OG-NH2 3.41Å |
| 1226 | I | 35.7 | Very low | 34 | Very low | 62.6 Ų | 62.6 | 105.9 Ų | 105.9 | 32% | 0.321 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -82 | -33.5 | 173 | -71.5 | 168.5 | 0 | 0 | 0 | 110.6 | I1222 F1223 D1224 R1229 N1230 | I1222-I1226 HydrophobicContact CG2-CD1 3.82Å; I1222-I1226 HydrophobicContact CG2-CG1 4.36Å; I1222-I1226 WeakPolarHBondContact O-CB 3.29Å; I1222-I1226 WeakPolarHBondContact O-CD1 3.43Å; I1222-I1226 VanDerWaalsContact O-CG1 3.26Å; I1222-I1226 WeakPolarHBondContact O-CG1 3.28Å; I1222-I1226 PolarHBondContact O-N 3.1Å; I1222-I1226 VanDerWaalsContact O-N 3.09Å; F1223-I1226 HydrophobicContact CD1-CD1 4.45Å; F1223-I1226 WeakPolarHBondContact O-CB 3.48Å; F1223-I1226 PolarHBondContact O-N 3.04Å; F1223-I1226 VanDerWaalsContact O-N 3.16Å; D1224-I1226 VanDerWaalsContact C-N 3.34Å; D1224-I1226 PolarHBondContact O-N 3.13Å; D1224-I1226 VanDerWaalsContact O-N 3.13Å; I1226-R1229 PolarHBondContact O-N 3.07Å; I1226-N1230 WeakPolarHBondContact O-CB 3.21Å; I1226-N1230 PolarHBondContact O-N 2.96Å; I1226-N1230 VanDerWaalsContact O-N 3.17Å; I1226-N1230 PolarHBondContact O-ND2 3.31Å |
| 1227 | I | 36.4 | Very low | 34.3 | Very low | 61 Ų | 61 | 103.6 Ų | 103.6 | 31% | 0.313 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74.4 | -47.1 | 178.4 | -66.9 | 168.8 | 0 | 0 | 0 | 110 | V932 L936 F1223 D1224 R1229 N1230 F1231 T1279 K1317 | V932-I1227 HydrophobicContact CG1-CD1 4.22Å; V932-I1227 HydrophobicContact CG1-CG1 4.25Å; L936-I1227 HydrophobicContact CD1-CD1 3.98Å; F1223-I1227 WeakPolarHBondContact O-CD1 3.45Å; F1223-I1227 VanDerWaalsContact O-CG1 3.22Å; F1223-I1227 WeakPolarHBondContact O-CG1 3.33Å; F1223-I1227 PolarHBondContact O-N 3.24Å; F1223-I1227 VanDerWaalsContact O-N 3.08Å; D1224-I1227 CarbonylContact O-C 3.56Å; D1224-I1227 WeakPolarHBondContact O-CA 3.3Å; D1224-I1227 WeakPolarHBondContact O-CB 3.4Å; D1224-I1227 PolarHBondContact O-N 3.09Å; D1224-I1227 VanDerWaalsContact O-N 3.07Å; I1227-R1229 VanDerWaalsContact C-N 3.34Å; I1227-R1229 PolarHBondContact O-N 3Å; I1227-N1230 WeakPolarHBondContact O-CB 3.29Å; I1227-N1230 PolarHBondContact O-N 2.96Å; I1227-F1231 HydrophobicContact CG2-CD2 3.8Å; I1227-F1231 HydrophobicContact CG2-CE2 3.82Å; I1227-F1231 VanDerWaalsContact O-CD2 3.25Å; I1227-F1231 WeakPolarHBondContact O-CD2 3.48Å; I1227-F1231 PolarHBondContact O-N 2.93Å; I1227-F1231 VanDerWaalsContact O-N 3.16Å; I1227-T1279 HydrophobicContact CD1-CG2 3.72Å; I1227-K1317 HydrophobicContact CD1-CB 4.02Å; I1227-K1317 HydrophobicContact CD1-CD 4.16Å; I1227-K1317 HydrophobicContact CG2-CB 4.4Å; I1227-K1317 HydrophobicContact CG2-CD 3.84Å |
| 1228 | D | 39.3 | Very low | 34.5 | Very low | 97.4 Ų | 97.4 | 105.1 Ų | 105.1 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 179 | -66.6 | -22.9 | 0 | 0 | 0 | 112.1 | R929 D1224 N1230 F1231 E1232 K1317 | R929-D1228 IonicContact CZ-OD1 3.92Å; R929-D1228 IonicContact NH2-OD1 2.94Å; R929-D1228 PolarHBondContact NH2-OD1 2.76Å; D1224-D1228 WeakPolarHBondContact O-CB 3.29Å; D1224-D1228 PolarHBondContact O-N 3.33Å; D1224-D1228 VanDerWaalsContact O-N 3.16Å; D1228-N1230 PolarHBondContact O-N 3.16Å; D1228-F1231 WeakPolarHBondContact O-CA 2.93Å; D1228-F1231 WeakPolarHBondContact O-CB 3.49Å; D1228-F1231 PolarHBondContact O-N 3.28Å; D1228-E1232 WeakPolarHBondContact O-CG 3.34Å; D1228-E1232 PolarHBondContact O-N 3.19Å; D1228-E1232 VanDerWaalsContact O-N 3.09Å; D1228-K1317 IonicContact OD1-NZ 2.81Å; D1228-K1317 PolarHBondContact OD1-NZ 3.02Å |
| 1229 | R | 35.3 | Very low | 34.4 | Very low | 166.2 Ų | 166.2 | 108.4 Ų | 108.4 | 63% | 0.627 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.4 | -37.2 | 177.9 | -116.7 | 179.9 | -167.8 | 168.1 | -1.2 | 113.8 | S1225 I1226 I1227 F1231 E1232 E1233 | S1225-R1229 WeakPolarHBondContact O-CB 3.26Å; S1225-R1229 WeakPolarHBondContact O-CD 3.23Å; S1225-R1229 WeakPolarHBondContact O-CG 3.22Å; S1225-R1229 PolarHBondContact O-N 3.17Å; S1225-R1229 VanDerWaalsContact O-N 3.12Å; S1225-R1229 PolarHBondContact O-NE 2.93Å; S1225-R1229 PolarHBondContact OG-NH2 3.41Å; I1226-R1229 PolarHBondContact O-N 3.07Å; I1227-R1229 VanDerWaalsContact C-N 3.34Å; I1227-R1229 PolarHBondContact O-N 3Å; R1229-F1231 VanDerWaalsContact C-N 3.29Å; R1229-F1231 PolarHBondContact O-N 2.99Å; R1229-F1231 VanDerWaalsContact O-N 3.12Å; R1229-E1232 PolarHBondContact O-N 3.14Å; R1229-E1233 WeakPolarHBondContact O-CB 3.26Å; R1229-E1233 WeakPolarHBondContact O-CG 3.35Å; R1229-E1233 PolarHBondContact O-N 3.09Å |
| 1230 | N | 37.2 | Very low | 34.4 | Very low | 95 Ų | 95 | 109 Ų | 109 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.1 | -19.3 | 176.4 | -73.4 | -47.7 | 0 | 0 | 0 | 112.4 | I1226 I1227 D1228 E1232 E1233 E1234 | I1226-N1230 WeakPolarHBondContact O-CB 3.21Å; I1226-N1230 PolarHBondContact O-N 2.96Å; I1226-N1230 VanDerWaalsContact O-N 3.17Å; I1226-N1230 PolarHBondContact O-ND2 3.31Å; I1227-N1230 WeakPolarHBondContact O-CB 3.29Å; I1227-N1230 PolarHBondContact O-N 2.96Å; D1228-N1230 PolarHBondContact O-N 3.16Å; N1230-E1232 VanDerWaalsContact C-N 3.34Å; N1230-E1233 PolarHBondContact O-N 3.2Å; N1230-E1234 PolarHBondContact O-N 3.38Å |
| 1231 | F | 34.9 | Very low | 34.2 | Very low | 116.8 Ų | 116.8 | 112.6 Ų | 112.6 | 51% | 0.512 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -85.3 | -29.2 | 176 | -104.5 | -83.5 | 0 | 0 | 0 | 113.7 | K928 R929 I1227 D1228 R1229 E1233 E1234 Q1235 F1321 | K928-F1231 HydrophobicContact CB-CE1 4.38Å; K928-F1231 HydrophobicContact CB-CZ 4.04Å; K928-F1231 HydrophobicContact CD-CE1 3.48Å; K928-F1231 VanDerWaalsContact CD-CE1 3.48Å; K928-F1231 HydrophobicContact CD-CZ 3.59Å; K928-F1231 VanDerWaalsContact CE-CE1 3.5Å; K928-F1231 HydrophobicContact CG-CE1 3.99Å; K928-F1231 HydrophobicContact CG-CZ 3.58Å; R929-F1231 HydrophobicContact CG-CE2 3.92Å; R929-F1231 HydrophobicContact CG-CZ 3.83Å; I1227-F1231 HydrophobicContact CG2-CD2 3.8Å; I1227-F1231 HydrophobicContact CG2-CE2 3.82Å; I1227-F1231 VanDerWaalsContact O-CD2 3.25Å; I1227-F1231 WeakPolarHBondContact O-CD2 3.48Å; I1227-F1231 PolarHBondContact O-N 2.93Å; I1227-F1231 VanDerWaalsContact O-N 3.16Å; D1228-F1231 WeakPolarHBondContact O-CA 2.93Å; D1228-F1231 WeakPolarHBondContact O-CB 3.49Å; D1228-F1231 PolarHBondContact O-N 3.28Å; R1229-F1231 VanDerWaalsContact C-N 3.29Å; R1229-F1231 PolarHBondContact O-N 2.99Å; R1229-F1231 VanDerWaalsContact O-N 3.12Å; F1231-E1233 VanDerWaalsContact C-N 3.29Å; F1231-E1233 PolarHBondContact O-N 3.39Å; F1231-E1234 PolarHBondContact O-N 2.94Å; F1231-Q1235 PolarHBondContact O-NE2 3.17Å; F1231-F1321 HydrophobicContact CE2-CD2 4.05Å |
| 1232 | E | 36 | Very low | 33.9 | Very low | 136.8 Ų | 136.8 | 110.6 Ų | 110.6 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -76.8 | -37 | 174 | -69.4 | -148.7 | 140.7 | 0 | 0 | 112.3 | D1228 R1229 N1230 E1234 Q1235 L1236 | D1228-E1232 WeakPolarHBondContact O-CG 3.34Å; D1228-E1232 PolarHBondContact O-N 3.19Å; D1228-E1232 VanDerWaalsContact O-N 3.09Å; R1229-E1232 PolarHBondContact O-N 3.14Å; N1230-E1232 VanDerWaalsContact C-N 3.34Å; E1232-E1234 VanDerWaalsContact C-N 3.3Å; E1232-E1234 PolarHBondContact O-N 3.19Å; E1232-Q1235 WeakPolarHBondContact O-CB 3.28Å; E1232-Q1235 PolarHBondContact O-N 2.94Å; E1232-Q1235 VanDerWaalsContact O-N 3.14Å; E1232-L1236 HydrophobicContact CB-CD1 4.33Å; E1232-L1236 PolarHBondContact O-N 3.12Å; E1232-L1236 VanDerWaalsContact O-N 3.12Å |
| 1233 | E | 36.5 | Very low | 33.4 | Very low | 131 Ų | 131 | 116.5 Ų | 116.5 | 61% | 0.612 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.5 | -29.6 | 179.7 | -71.2 | -174.3 | 169.8 | 0 | 0 | 113.1 | R1229 N1230 F1231 Q1235 L1236 A1237 | R1229-E1233 WeakPolarHBondContact O-CB 3.26Å; R1229-E1233 WeakPolarHBondContact O-CG 3.35Å; R1229-E1233 PolarHBondContact O-N 3.09Å; N1230-E1233 PolarHBondContact O-N 3.2Å; F1231-E1233 VanDerWaalsContact C-N 3.29Å; F1231-E1233 PolarHBondContact O-N 3.39Å; E1233-Q1235 VanDerWaalsContact C-N 3.32Å; E1233-Q1235 PolarHBondContact O-N 3.33Å; E1233-L1236 PolarHBondContact O-N 3.12Å; E1233-L1236 VanDerWaalsContact O-N 3.17Å; E1233-A1237 WeakPolarHBondContact O-CB 3.3Å; E1233-A1237 PolarHBondContact O-N 3.27Å |
| 1234 | E | 34.4 | Very low | 33.1 | Very low | 135.2 Ų | 135.2 | 118.1 Ų | 118.1 | 63% | 0.632 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.4 | -19 | 174.9 | -100.9 | -174.9 | 173.6 | 0 | 0 | 113.7 | K928 N1230 F1231 E1232 A1237 N1238 F1321 | K928-E1234 IonicContact NZ-OE1 3.79Å; K928-E1234 PolarHBondContact NZ-OE1 3.49Å; K928-E1234 IonicContact NZ-OE2 2.98Å; K928-E1234 PolarHBondContact NZ-OE2 3.2Å; N1230-E1234 PolarHBondContact O-N 3.38Å; F1231-E1234 PolarHBondContact O-N 2.94Å; E1232-E1234 VanDerWaalsContact C-N 3.3Å; E1232-E1234 PolarHBondContact O-N 3.19Å; E1234-A1237 WeakPolarHBondContact O-CB 3.28Å; E1234-N1238 PolarHBondContact O-N 3.47Å; E1234-N1238 PolarHBondContact O-ND2 3.37Å; E1234-F1321 WeakPolarHBondContact OE2-CE2 3.14Å; E1234-F1321 WeakPolarHBondContact OE2-CZ 3.21Å |
| 1235 | Q | 35.1 | Very low | 32.7 | Very low | 138 Ų | 138 | 118.2 Ų | 118.2 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -90.7 | -27.7 | 175.2 | -73.6 | -168.2 | 64.6 | 0 | 0 | 113.6 | F1231 E1232 E1233 A1237 N1238 | F1231-Q1235 PolarHBondContact O-NE2 3.17Å; E1232-Q1235 WeakPolarHBondContact O-CB 3.28Å; E1232-Q1235 PolarHBondContact O-N 2.94Å; E1232-Q1235 VanDerWaalsContact O-N 3.14Å; E1233-Q1235 VanDerWaalsContact C-N 3.32Å; E1233-Q1235 PolarHBondContact O-N 3.33Å; Q1235-A1237 VanDerWaalsContact C-N 3.28Å; Q1235-A1237 PolarHBondContact O-N 3.27Å; Q1235-N1238 WeakPolarHBondContact O-CB 3.33Å; Q1235-N1238 PolarHBondContact O-N 3.26Å; Q1235-N1238 VanDerWaalsContact O-N 3.09Å; Q1235-N1238 PolarHBondContact O-ND2 3.02Å; Q1235-N1238 PolarHBondContact O-OD1 3.31Å |
| 1236 | L | 33.7 | Very low | 32.1 | Very low | 139.8 Ų | 139.8 | 120.6 Ų | 120.6 | 73% | 0.732 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.3 | -22 | 178.9 | -83.5 | 164.9 | 0 | 0 | 0 | 113.5 | E1232 E1233 N1238 | E1232-L1236 HydrophobicContact CB-CD1 4.33Å; E1232-L1236 PolarHBondContact O-N 3.12Å; E1232-L1236 VanDerWaalsContact O-N 3.12Å; E1233-L1236 PolarHBondContact O-N 3.12Å; E1233-L1236 VanDerWaalsContact O-N 3.17Å; L1236-N1238 VanDerWaalsContact C-N 3.3Å; L1236-N1238 PolarHBondContact O-N 3.13Å; L1236-N1238 VanDerWaalsContact O-N 3.15Å |
| 1237 | A | 33 | Very low | 31.6 | Very low | 69 Ų | 69 | 125 Ų | 125 | 57% | 0.57 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -20.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E1233 E1234 Q1235 N1239 | E1233-A1237 WeakPolarHBondContact O-CB 3.3Å; E1233-A1237 PolarHBondContact O-N 3.27Å; E1234-A1237 WeakPolarHBondContact O-CB 3.28Å; Q1235-A1237 VanDerWaalsContact C-N 3.28Å; Q1235-A1237 PolarHBondContact O-N 3.27Å; A1237-N1239 PolarHBondContact O-N 3.42Å |
| 1238 | N | 32.8 | Very low | 31 | Very low | 113.6 Ų | 113.6 | 129 Ų | 129 | 61% | 0.607 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -4.6 | -169.9 | -89 | -27.9 | 0 | 0 | 0 | 115.8 | E1234 Q1235 L1236 N1240 | E1234-N1238 PolarHBondContact O-N 3.47Å; E1234-N1238 PolarHBondContact O-ND2 3.37Å; Q1235-N1238 WeakPolarHBondContact O-CB 3.33Å; Q1235-N1238 PolarHBondContact O-N 3.26Å; Q1235-N1238 VanDerWaalsContact O-N 3.09Å; Q1235-N1238 PolarHBondContact O-ND2 3.02Å; Q1235-N1238 PolarHBondContact O-OD1 3.31Å; L1236-N1238 VanDerWaalsContact C-N 3.3Å; L1236-N1238 PolarHBondContact O-N 3.13Å; L1236-N1238 VanDerWaalsContact O-N 3.15Å; N1238-N1240 VanDerWaalsContact C-N 3.28Å; N1238-N1240 PolarHBondContact O-N 3.18Å |
| 1239 | N | 30.8 | Very low | 30.4 | Very low | 134.4 Ų | 134.4 | 129.7 Ų | 129.7 | 72% | 0.719 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -113.8 | 79.6 | 178.5 | -89.6 | -32.9 | 0 | 0 | 0 | 114.2 | A1237 | A1237-N1239 PolarHBondContact O-N 3.42Š|
| 1240 | N | 30 | Very low | 29.9 | Very low | 147.4 Ų | 147.4 | 128.3 Ų | 128.3 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | trans | 154.6 | 94.7 | 155.2 | -77.8 | -42.9 | 0 | 0 | 0 | 116.3 | N1238 | N1238-N1240 VanDerWaalsContact C-N 3.28Å; N1238-N1240 PolarHBondContact O-N 3.18Å | ||
| 1241 | N | 26.7 | Very low | 29.4 | Very low | 158.8 Ų | 158.8 | 129.1 Ų | 129.1 | 85% | 0.849 | 72% | 0.72 | S | S | * | * | trans | -149 | 100.6 | 159.5 | -87.6 | -33.5 | 0 | 0 | 0 | 115.2 | ||||
| 1242 | S | 27.4 | Very low | 29 | Very low | 111.8 Ų | 111.8 | 132.3 Ų | 132.3 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | trans | 174.1 | 120.3 | 136.1 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1243 | K | 25.2 | Very low | 28.5 | Very low | 206.4 Ų | 206.4 | 133.5 Ų | 133.5 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | trans | 48.7 | 112.3 | 154.3 | -95.4 | 175.1 | 177.9 | 175.4 | 0 | 116.7 | G1245 | K1243-G1245 PolarHBondContact O-N 2.8Š| ||
| 1244 | C | 23.2 | Very low | 28 | Very low | 136.4 Ų | 136.4 | 135.5 Ų | 135.5 | 92% | 0.922 | 75% | 0.75 | S | S | * | * | trans | 89.1 | 131.1 | 147.3 | -145.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1245 | G | 25.3 | Very low | 27.7 | Very low | 67.2 Ų | 67.2 | 135.6 Ų | 135.6 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | trans | -148 | 144.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1243 L1247 | K1243-G1245 PolarHBondContact O-N 2.8Å; G1245-L1247 PolarHBondContact O-N 3.01Å | ||
| 1246 | S | 25 | Very low | 27.3 | Very low | 107.2 Ų | 107.2 | 134.9 Ų | 134.9 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | trans | -33.3 | 117.4 | 174.5 | 100.8 | 0 | 0 | 0 | 0 | 114.6 | L1248 K1518 | S1246-L1248 PolarHBondContact O-N 2.96Å; S1246-K1518 VanDerWaalsContact C-NZ 3.26Å; S1246-K1518 PolarHBondContact O-NZ 2.74Å | ||
| 1247 | L | 24.5 | Very low | 26.9 | Very low | 154.6 Ų | 154.6 | 135.1 Ų | 135.1 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | trans | 150.9 | 136.3 | 146 | -83.1 | 162.6 | 0 | 0 | 0 | 113.5 | G1245 K1518 | G1245-L1247 PolarHBondContact O-N 3.01Å; L1247-K1518 WeakPolarHBondContact O-CE 3.43Å; L1247-K1518 PolarHBondContact O-NZ 2.69Å | ||
| 1248 | L | 25.5 | Very low | 26.6 | Very low | 146.4 Ų | 146.4 | 136.4 Ų | 136.4 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -155.6 | 146.8 | 141.3 | -111.1 | 167.2 | 0 | 0 | 0 | 107.8 | S1246 | S1246-L1248 PolarHBondContact O-N 2.96Š| ||
| 1249 | V | 26.6 | Very low | 26.3 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | 161.9 | 134 | 136 | 158 | 0 | 0 | 0 | 0 | 113 | S1251 | V1249-S1251 PolarHBondContact O-N 3.37Š| ||
| 1250 | D | 24.5 | Very low | 26.1 | Very low | 135.8 Ų | 135.8 | 136 Ų | 136 | 73% | 0.726 | 77% | 0.771 | S | S | * | * | trans | 19.3 | 130.7 | 153.4 | -65.2 | -37.1 | 0 | 0 | 0 | 117.7 | ||||
| 1251 | S | 27.3 | Very low | 25.9 | Very low | 111.8 Ų | 111.8 | 136.1 Ų | 136.1 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | -149.2 | 124.5 | 102.3 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | V1249 L1253 | V1249-S1251 PolarHBondContact O-N 3.37Å; S1251-L1253 PolarHBondContact O-N 2.92Å; S1251-L1253 VanDerWaalsContact O-N 3.11Å | |||
| 1252 | K | 25.4 | Very low | 25.8 | Very low | 185.2 Ų | 185.2 | 136.8 Ų | 136.8 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -34.6 | 128.2 | 158.7 | -71.8 | 170.2 | 176.1 | 164.3 | 0 | 114.8 | ||||
| 1253 | L | 26.4 | Very low | 25.6 | Very low | 162.2 Ų | 162.2 | 136 Ų | 136 | 85% | 0.849 | 76% | 0.759 | S | S | * | * | trans | -160 | 117.5 | 137.5 | -92.3 | 163 | 0 | 0 | 0 | 111.1 | S1251 I1255 | S1251-L1253 PolarHBondContact O-N 2.92Å; S1251-L1253 VanDerWaalsContact O-N 3.11Å; L1253-I1255 PolarHBondContact O-N 3.16Å | ||
| 1254 | K | 24.6 | Very low | 25.5 | Very low | 173.2 Ų | 173.2 | 131.4 Ų | 131.4 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -79.2 | 119.1 | 144 | -88.2 | -179.1 | 171 | -154.1 | 0 | 112.7 | D1256 | K1254-D1256 WeakPolarHBondContact CG-OD1 3.45Å; K1254-D1256 IonicContact NZ-OD1 2.69Å; K1254-D1256 PolarHBondContact NZ-OD1 2.65Å; K1254-D1256 IonicContact NZ-OD2 2.69Å; K1254-D1256 PolarHBondContact NZ-OD2 3.31Å | ||
| 1255 | I | 28.8 | Very low | 25.6 | Very low | 135.8 Ų | 135.8 | 131.6 Ų | 131.6 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | trans | -156.1 | 107.2 | 146.7 | -63 | -179.3 | 0 | 0 | 0 | 108.2 | L1253 | L1253-I1255 PolarHBondContact O-N 3.16Š| ||
| 1256 | D | 25.9 | Very low | 25.6 | Very low | 123.4 Ų | 123.4 | 135.6 Ų | 135.6 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | 53.1 | 128.2 | 128.3 | -64 | -12.5 | 0 | 0 | 0 | 118.2 | K1254 S1258 Q1431 | K1254-D1256 WeakPolarHBondContact CG-OD1 3.45Å; K1254-D1256 IonicContact NZ-OD1 2.69Å; K1254-D1256 PolarHBondContact NZ-OD1 2.65Å; K1254-D1256 IonicContact NZ-OD2 2.69Å; K1254-D1256 PolarHBondContact NZ-OD2 3.31Å; D1256-S1258 PolarHBondContact O-N 3.02Å; D1256-Q1431 PolarHBondContact OD2-NE2 2.92Å | |||
| 1257 | D | 27 | Very low | 25.6 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -75.1 | 130.8 | 170.5 | -64.4 | -57.2 | 0 | 0 | 0 | 114.8 | G1432 F1433 V1434 | D1257-G1432 WeakPolarHBondContact CA-O 3.14Å; D1257-F1433 HydrophobicContact CB-CD1 3.48Å; D1257-F1433 VanDerWaalsContact CB-CD1 3.48Å; D1257-F1433 HydrophobicContact CB-CD2 3.79Å; D1257-F1433 HydrophobicContact CB-CE1 3.3Å; D1257-F1433 HydrophobicContact CB-CE2 3.62Å; D1257-F1433 HydrophobicContact CB-CG 3.71Å; D1257-F1433 HydrophobicContact CB-CZ 3.37Å; D1257-F1433 WeakPolarHBondContact OD1-CA 3.38Å; D1257-F1433 VanDerWaalsContact OD1-CD1 3.24Å; D1257-F1433 WeakPolarHBondContact OD1-CD1 3.46Å; D1257-F1433 WeakPolarHBondContact OD2-CE1 3.32Å; D1257-V1434 PolarHBondContact OD1-N 3.33Å | ||
| 1258 | S | 25.7 | Very low | 25.6 | Very low | 95.6 Ų | 95.6 | 135.8 Ų | 135.8 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | trans | -156.5 | 138.7 | 146.9 | 22.6 | 0 | 0 | 0 | 0 | 113 | D1256 A1260 G1432 F1433 | D1256-S1258 PolarHBondContact O-N 3.02Å; S1258-A1260 PolarHBondContact O-N 2.86Å; S1258-G1432 PolarHBondContact N-O 3.2Å; S1258-G1432 PolarHBondContact OG-N 2.89Å; S1258-G1432 PolarHBondContact OG-O 3.49Å; S1258-F1433 VanDerWaalsContact C-CD2 3.45Å; S1258-F1433 WeakPolarHBondContact O-CD2 3.49Å | ||
| 1259 | D | 26.5 | Very low | 25.7 | Very low | 151.8 Ų | 151.8 | 135.4 Ų | 135.4 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | trans | 63.4 | 82.9 | 158.8 | -60.3 | -17 | 0 | 0 | 0 | 120.5 | L1261 F1433 H1540 | D1259-L1261 PolarHBondContact O-N 3.35Å; D1259-F1433 WeakPolarHBondContact O-CD2 3.43Å; D1259-H1540 PolarHBondContact O-CD2 3.47Å | ||
| 1260 | A | 27.2 | Very low | 25.6 | Very low | 88.6 Ų | 88.6 | 135.7 Ų | 135.7 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | trans | -94.3 | 120.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1258 K1262 F1433 H1540 | S1258-A1260 PolarHBondContact O-N 2.86Å; A1260-K1262 PolarHBondContact O-N 3.11Å; A1260-K1262 VanDerWaalsContact O-N 3.09Å; A1260-F1433 HydrophobicContact CB-CD2 4.04Å; A1260-F1433 HydrophobicContact CB-CE2 3.81Å; A1260-F1433 HydrophobicContact CB-CZ 4.38Å; A1260-H1540 VanDerWaalsContact CA-CE1 3.49Å; A1260-H1540 WeakPolarHBondContact CA-CE1 3.16Å; A1260-H1540 WeakPolarHBondContact CA-NE2 3.38Å | ||
| 1261 | L | 25.5 | Very low | 25.8 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | trans | -91.8 | 129 | 164.2 | -83.1 | 139.3 | 0 | 0 | 0 | 110.9 | D1259 C1263 H1540 V1544 | D1259-L1261 PolarHBondContact O-N 3.35Å; L1261-C1263 PolarHBondContact O-N 3.22Å; L1261-H1540 PolarHBondContact O-ND1 2.69Å; L1261-V1544 HydrophobicContact CB-CG2 3.92Å | ||
| 1262 | K | 25.1 | Very low | 25.7 | Very low | 173.8 Ų | 173.8 | 140.8 Ų | 140.8 | 76% | 0.756 | 72% | 0.721 | S | S | * | * | trans | -51.3 | 100.7 | 138.1 | -83.9 | -178.6 | -173.4 | 173 | 0 | 111.7 | A1260 T1264 | A1260-K1262 PolarHBondContact O-N 3.11Å; A1260-K1262 VanDerWaalsContact O-N 3.09Å; K1262-T1264 PolarHBondContact O-N 3.25Å | ||
| 1263 | C | 21.9 | Very low | 25.7 | Very low | 94.4 Ų | 94.4 | 134.3 Ų | 134.3 | 64% | 0.638 | 71% | 0.707 | S | S | * | * | trans | -67.3 | 97 | 147.4 | -144.4 | 0 | 0 | 0 | 0 | 110.1 | L1261 Q1265 L1543 V1544 I1547 | L1261-C1263 PolarHBondContact O-N 3.22Å; C1263-Q1265 VanDerWaalsContact C-N 3.28Å; C1263-Q1265 PolarHBondContact O-N 3.18Å; C1263-L1543 WeakPolarHBondContact CA-O 3.31Å; C1263-L1543 WeakPolarHBondContact CB-O 3.02Å; C1263-L1543 PolarHBondContact SG-O 3.29Å; C1263-V1544 CarbonylContact C-O 3.58Å; C1263-V1544 VanDerWaalsContact CA-C 3.41Å; C1263-V1544 WeakPolarHBondContact CA-O 3.29Å; C1263-V1544 PolarHBondContact N-O 2.97Å; C1263-I1547 HydrophobicContact CB-CB 3.97Å; C1263-I1547 HydrophobicContact CB-CD1 3.99Å; C1263-I1547 HydrophobicContact CB-CG1 4.26Å; C1263-I1547 VanDerWaalsContact O-CB 3.23Å; C1263-I1547 WeakPolarHBondContact O-CB 2.85Å; C1263-I1547 VanDerWaalsContact O-CG2 3.24Å; C1263-I1547 WeakPolarHBondContact O-CG2 3.12Å; C1263-I1547 VanDerWaalsContact SG-CB 3.52Å; C1263-I1547 WeakPolarHBondContact SG-CG1 3.17Å; C1263-I1547 PolarHBondContact SG-N 3.15Å; C1263-I1547 VanDerWaalsContact SG-N 3.37Å | ||
| 1264 | T | 23.9 | Very low | 25.7 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | trans | -120.6 | 96.6 | 170 | 21.8 | 0 | 0 | 0 | 0 | 110.2 | K1262 Q1266 V1544 L1545 K1548 | K1262-T1264 PolarHBondContact O-N 3.25Å; T1264-Q1266 VanDerWaalsContact C-N 3.34Å; T1264-Q1266 PolarHBondContact O-N 3.26Å; T1264-Q1266 VanDerWaalsContact O-N 3.1Å; T1264-V1544 PolarHBondContact N-O 3.08Å; T1264-L1545 PolarHBondContact N-O 3.36Å; T1264-L1545 VanDerWaalsContact N-O 3.15Å; T1264-K1548 VanDerWaalsContact C-CB 3.47Å; T1264-K1548 HydrophobicContact CG2-CD 3.74Å; T1264-K1548 VanDerWaalsContact CG2-CE 3.48Å; T1264-K1548 HydrophobicContact CG2-CG 3.76Å | ||
| 1265 | Q | 25.4 | Very low | 25.9 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 66% | 0.664 | 69% | 0.687 | S | S | * | * | trans | -57.1 | 106 | 153.7 | -72.2 | 173.4 | -26.3 | 0 | 0 | 112.2 | C1263 L1267 L1545 L1546 K1548 M1549 | C1263-Q1265 VanDerWaalsContact C-N 3.28Å; C1263-Q1265 PolarHBondContact O-N 3.18Å; Q1265-L1267 VanDerWaalsContact C-N 3.29Å; Q1265-L1267 PolarHBondContact O-N 3.33Å; Q1265-L1545 HydrophobicContact CG-CB 3.74Å; Q1265-L1545 HydrophobicContact CG-CD2 4.34Å; Q1265-L1545 HydrophobicContact CG-CG 4.18Å; Q1265-L1545 VanDerWaalsContact CG-O 3.22Å; Q1265-L1545 WeakPolarHBondContact CG-O 3.28Å; Q1265-L1545 PolarHBondContact N-O 2.84Å; Q1265-L1545 VanDerWaalsContact OE1-C 3.24Å; Q1265-L1545 PolarHBondContact OE1-O 3.34Å; Q1265-L1545 VanDerWaalsContact OE1-O 3.08Å; Q1265-L1546 PolarHBondContact OE1-O 2.7Å; Q1265-K1548 CarbonylContact O-C 3.5Å; Q1265-K1548 WeakPolarHBondContact O-CB 3.27Å; Q1265-M1549 HydrophobicContact CB-CG 4Å; Q1265-M1549 HydrophobicContact CG-CG 4.37Å; Q1265-M1549 PolarHBondContact O-N 3.12Å | ||
| 1266 | Q | 24.6 | Very low | 26.1 | Very low | 150.6 Ų | 150.6 | 128.9 Ų | 128.9 | 70% | 0.704 | 68% | 0.677 | S | S | * | * | trans | -78.6 | 119.7 | 160.8 | -148.3 | 157.4 | -19.9 | 0 | 0 | 109.7 | T1264 D1268 K1548 I1552 | T1264-Q1266 VanDerWaalsContact C-N 3.34Å; T1264-Q1266 PolarHBondContact O-N 3.26Å; T1264-Q1266 VanDerWaalsContact O-N 3.1Å; Q1266-D1268 WeakPolarHBondContact CG-OD1 3.27Å; Q1266-D1268 PolarHBondContact NE2-OD1 3.02Å; Q1266-D1268 PolarHBondContact O-N 3.17Å; Q1266-D1268 VanDerWaalsContact O-N 3.14Å; Q1266-K1548 HydrophobicContact CB-CB 4.24Å; Q1266-K1548 HydrophobicContact CB-CD 3.9Å; Q1266-K1548 HydrophobicContact CG-CD 4.12Å; Q1266-I1552 HydrophobicContact CB-CD1 4.35Å; Q1266-I1552 HydrophobicContact CB-CG1 4.38Å; Q1266-I1552 HydrophobicContact CG-CD1 3.31Å; Q1266-I1552 HydrophobicContact CG-CG1 3.55Å | ||
| 1267 | L | 25.6 | Very low | 26.6 | Very low | 135.4 Ų | 135.4 | 125.9 Ų | 125.9 | 71% | 0.709 | 66% | 0.658 | S | S | * | * | trans | -96.5 | 104.4 | -174.9 | -89.9 | 168 | 0 | 0 | 0 | 111 | Q1265 M1269 M1549 I1552 | Q1265-L1267 VanDerWaalsContact C-N 3.29Å; Q1265-L1267 PolarHBondContact O-N 3.33Å; L1267-M1269 PolarHBondContact O-N 3.16Å; L1267-M1549 HydrophobicContact CD1-CE 4.09Å; L1267-M1549 HydrophobicContact CD1-SD 3.35Å; L1267-M1549 WeakPolarHBondContact CD1-SD 3.11Å; L1267-M1549 HydrophobicContact CG-CE 4.27Å; L1267-M1549 HydrophobicContact CG-SD 4.01Å; L1267-I1552 HydrophobicContact CB-CB 4.16Å; L1267-I1552 HydrophobicContact CB-CG1 4.38Å; L1267-I1552 HydrophobicContact CB-CG2 3.99Å; L1267-I1552 VanDerWaalsContact N-CG1 3.25Å; L1267-I1552 WeakPolarHBondContact O-CG2 2.11Å | ||
| 1268 | D | 25.2 | Very low | 27.3 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | trans | -57.1 | 124.8 | 168.7 | -86.2 | -33.9 | 0 | 0 | 0 | 114.5 | Q1266 D1270 I1552 F1555 | Q1266-D1268 WeakPolarHBondContact CG-OD1 3.27Å; Q1266-D1268 PolarHBondContact NE2-OD1 3.02Å; Q1266-D1268 PolarHBondContact O-N 3.17Å; Q1266-D1268 VanDerWaalsContact O-N 3.14Å; D1268-D1270 PolarHBondContact O-N 3.18Å; D1268-D1270 VanDerWaalsContact O-N 3.12Å; D1268-I1552 VanDerWaalsContact CA-CG2 3.49Å; D1268-I1552 HydrophobicContact CB-CD1 3.79Å; D1268-I1552 VanDerWaalsContact OD1-CD1 3.26Å; D1268-I1552 WeakPolarHBondContact OD1-CD1 2.12Å; D1268-I1552 WeakPolarHBondContact OD2-CD1 3.47Å; D1268-F1555 WeakPolarHBondContact OD1-CB 3.35Å | ||
| 1269 | M | 26.5 | Very low | 28.2 | Very low | 138.2 Ų | 138.2 | 121.1 Ų | 121.1 | 68% | 0.681 | 63% | 0.628 | S | S | * | * | trans | -97.7 | 128.4 | 162.8 | -75.7 | -72.2 | -66.7 | 0 | 0 | 110.8 | L1267 R1271 I1552 | L1267-M1269 PolarHBondContact O-N 3.16Å; M1269-R1271 PolarHBondContact O-N 2.95Å; M1269-R1271 VanDerWaalsContact O-N 3.07Å; M1269-I1552 HydrophobicContact CG-CG2 3.95Å; M1269-I1552 WeakPolarHBondContact CG-O 3.46Å | ||
| 1270 | D | 25.8 | Very low | 29.1 | Very low | 117 Ų | 117 | 117.6 Ų | 117.6 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | trans | 10.8 | 105.9 | 163.1 | -63.7 | -28.9 | 0 | 0 | 0 | 115.8 | D1268 E1272 S1556 | D1268-D1270 PolarHBondContact O-N 3.18Å; D1268-D1270 VanDerWaalsContact O-N 3.12Å; D1270-E1272 PolarHBondContact O-N 3.33Å; D1270-S1556 WeakPolarHBondContact OD2-CA 2.87Å; D1270-S1556 WeakPolarHBondContact OD2-CB 2.83Å; D1270-S1556 PolarHBondContact OD2-OG 3.05Å | ||
| 1271 | R | 26.8 | Very low | 30.2 | Very low | 213.6 Ų | 213.6 | 117.1 Ų | 117.1 | 81% | 0.806 | 59% | 0.591 | S | S | * | * | trans | -134.2 | 96 | 149.6 | -81.4 | 177.9 | -168.1 | -160 | -0.3 | 112.5 | M1269 E1274 Q1559 | M1269-R1271 PolarHBondContact O-N 2.95Å; M1269-R1271 VanDerWaalsContact O-N 3.07Å; R1271-E1274 IonicContact CZ-OE1 3.24Å; R1271-E1274 IonicContact CZ-OE2 2.64Å; R1271-E1274 IonicContact NE-OE2 2.64Å; R1271-E1274 IonicContact NH1-OE1 3.52Å; R1271-E1274 PolarHBondContact NH1-OE1 3.44Å; R1271-E1274 IonicContact NH1-OE2 3.6Å; R1271-E1274 PolarHBondContact NH1-OE2 3.02Å; R1271-Q1559 VanDerWaalsContact CZ-OE1 3.24Å; R1271-Q1559 VanDerWaalsContact NH2-OE1 3.08Å | ||
| 1272 | E | 25.8 | Very low | 31.3 | Very low | 142 Ų | 142 | 113 Ų | 113 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -131.1 | 100.7 | 173.9 | -70.3 | -177.5 | 162.2 | 0 | 0 | 109.3 | K841 R929 D1270 E1274 | K841-E1272 WeakPolarHBondContact CD-OE1 3.37Å; K841-E1272 WeakPolarHBondContact CE-OE1 3.37Å; K841-E1272 WeakPolarHBondContact CE-OE2 3.36Å; K841-E1272 VanDerWaalsContact NZ-CG 3.34Å; K841-E1272 IonicContact NZ-OE1 3.19Å; K841-E1272 PolarHBondContact NZ-OE1 3.08Å; K841-E1272 IonicContact NZ-OE2 3.82Å; R929-E1272 IonicContact CZ-OE2 2.72Å; R929-E1272 IonicContact NH1-OE2 2.72Å; R929-E1272 PolarHBondContact NH1-OE2 3.11Å; D1270-E1272 PolarHBondContact O-N 3.33Å; E1272-E1274 HydrophobicContact CB-CG 4.02Å; E1272-E1274 WeakPolarHBondContact O-CG 3.09Å; E1272-E1274 PolarHBondContact O-N 2.74Å; E1272-E1274 VanDerWaalsContact O-N 3.1Å |
| 1273 | G | 26 | Very low | 32.5 | Very low | 49.2 Ų | 49.2 | 106.1 Ų | 106.1 | 51% | 0.507 | 54% | 0.537 | S | S | . | . | trans | 83.5 | 64.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | F1275 | G1273-F1275 VanDerWaalsContact C-CD1 3.43Å; G1273-F1275 VanDerWaalsContact C-N 3.32Å; G1273-F1275 VanDerWaalsContact CA-CE1 3.49Å; G1273-F1275 WeakPolarHBondContact O-CD2 3.35Å; G1273-F1275 PolarHBondContact O-N 3.37Å | ||
| 1274 | E | 26.6 | Very low | 33.9 | Very low | 119.8 Ų | 119.8 | 106 Ų | 106 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | trans | -100.1 | 117.8 | 164.7 | -67.4 | -173.1 | 131.4 | 0 | 0 | 109.8 | R929 R1271 E1272 I1276 W1351 K1358 P1359 | R929-E1274 IonicContact CZ-OE1 3.4Å; R929-E1274 IonicContact NH2-OE1 2.69Å; R929-E1274 PolarHBondContact NH2-OE1 3.2Å; R1271-E1274 IonicContact CZ-OE1 3.24Å; R1271-E1274 IonicContact CZ-OE2 2.64Å; R1271-E1274 IonicContact NE-OE2 2.64Å; R1271-E1274 IonicContact NH1-OE1 3.52Å; R1271-E1274 PolarHBondContact NH1-OE1 3.44Å; R1271-E1274 IonicContact NH1-OE2 3.6Å; R1271-E1274 PolarHBondContact NH1-OE2 3.02Å; E1272-E1274 HydrophobicContact CB-CG 4.02Å; E1272-E1274 WeakPolarHBondContact O-CG 3.09Å; E1272-E1274 PolarHBondContact O-N 2.74Å; E1272-E1274 VanDerWaalsContact O-N 3.1Å; E1274-I1276 HydrophobicContact CB-CD1 4.44Å; E1274-I1276 HydrophobicContact CB-CG1 4.19Å; E1274-I1276 PolarHBondContact O-N 3.25Å; E1274-W1351 VanDerWaalsContact C-C 3.47Å; E1274-W1351 CarbonylContact C-O 3.6Å; E1274-W1351 VanDerWaalsContact CA-CD2 3.46Å; E1274-W1351 VanDerWaalsContact CA-CZ3 3.42Å; E1274-W1351 HydrophobicContact CB-CB 4.05Å; E1274-W1351 HydrophobicContact CB-CD2 3.65Å; E1274-W1351 HydrophobicContact CB-CE3 2.89Å; E1274-W1351 HydrophobicContact CB-CG 4.2Å; E1274-W1351 HydrophobicContact CB-CH2 4.43Å; E1274-W1351 HydrophobicContact CB-CZ3 3.3Å; E1274-W1351 HydrophobicContact CG-CE3 4.27Å; E1274-W1351 CarbonylContact O-C 3.54Å; E1274-W1351 VanDerWaalsContact O-C 3.32Å; E1274-K1358 WeakPolarHBondContact OE2-CE 3.24Å; E1274-K1358 IonicContact OE2-NZ 2.79Å; E1274-K1358 PolarHBondContact OE2-NZ 2.73Å; E1274-P1359 HydrophobicContact CB-CG 4.34Å | ||
| 1275 | F | 29.2 | Very low | 35.2 | Very low | 142 Ų | 142 | 103.1 Ų | 103.1 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | trans | -85.7 | 71.1 | 172.2 | -81.9 | -96.2 | 0 | 0 | 0 | 113.4 | G1273 F1277 W1351 F1352 H1353 H1354 L1355 L1356 | G1273-F1275 VanDerWaalsContact C-CD1 3.43Å; G1273-F1275 VanDerWaalsContact C-N 3.32Å; G1273-F1275 VanDerWaalsContact CA-CE1 3.49Å; G1273-F1275 WeakPolarHBondContact O-CD2 3.35Å; G1273-F1275 PolarHBondContact O-N 3.37Å; F1275-F1277 VanDerWaalsContact C-N 3.31Å; F1275-F1277 PolarHBondContact O-N 3.11Å; F1275-W1351 VanDerWaalsContact CA-CD2 3.41Å; F1275-W1351 HydrophobicContact CB-CD2 4.35Å; F1275-W1351 HydrophobicContact CB-CG 4.38Å; F1275-W1351 HydrophobicContact CB-CZ2 4.4Å; F1275-W1351 VanDerWaalsContact N-CG 3.28Å; F1275-W1351 PolarHBondContact N-O 2.94Å; F1275-W1351 PolarHBondContact O-NE1 3.23Å; F1275-F1352 CarbonylContact C-O 2.75Å; F1275-F1352 VanDerWaalsContact C-O 3.24Å; F1275-F1352 WeakPolarHBondContact CA-O 3.09Å; F1275-H1353 CarbonylContact C-O 3.48Å; F1275-H1354 HydrophobicContact CB-CB 3.58Å; F1275-H1354 HydrophobicContact CD1-CB 4.19Å; F1275-H1354 AromaticContact CD1-CG 3.99Å; F1275-H1354 AromaticContact CD1-ND1 3.76Å; F1275-H1354 HydrophobicContact CD2-CB 3.51Å; F1275-H1354 AromaticContact CD2-CD2 3.91Å; F1275-H1354 AromaticContact CD2-CG 3.83Å; F1275-H1354 AromaticContact CE1-CE1 3.7Å; F1275-H1354 AromaticContact CE1-ND1 3.92Å; F1275-H1354 AromaticContact CE1-NE2 3.86Å; F1275-H1354 HydrophobicContact CE2-CB 4.19Å; F1275-H1354 AromaticContact CE2-CD2 3.67Å; F1275-H1354 HydrophobicContact CG-CB 3.53Å; F1275-H1354 AromaticContact CG-CG 3.82Å; F1275-H1354 AromaticContact CZ-CD2 3.77Å; F1275-H1354 AromaticContact CZ-NE2 3.68Å; F1275-H1354 CarbonylContact O-C 3.4Å; F1275-L1355 HydrophobicContact CB-CB 4.35Å; F1275-L1355 CarbonylContact O-C 3.03Å; F1275-L1355 WeakPolarHBondContact O-CA 3.17Å; F1275-L1355 VanDerWaalsContact O-CB 3.3Å; F1275-L1355 WeakPolarHBondContact O-CB 3.48Å; F1275-L1355 PolarHBondContact O-N 2.84Å; F1275-L1356 PolarHBondContact O-N 2.55Å | ||
| 1276 | I | 31.1 | Very low | 36.6 | Very low | 95.6 Ų | 95.6 | 96.9 Ų | 96.9 | 49% | 0.49 | 48% | 0.476 | S | S | . | . | trans | -94.3 | 108.4 | 175.2 | -51.2 | 170.8 | 0 | 0 | 0 | 109.3 | N1171 E1274 N1278 Q1281 W1351 F1352 H1353 L1356 K1358 | N1171-I1276 WeakPolarHBondContact OD1-CG2 3.07Å; E1274-I1276 HydrophobicContact CB-CD1 4.44Å; E1274-I1276 HydrophobicContact CB-CG1 4.19Å; E1274-I1276 PolarHBondContact O-N 3.25Å; I1276-N1278 PolarHBondContact O-N 2.89Å; I1276-Q1281 PolarHBondContact O-OE1 3.36Å; I1276-W1351 HydrophobicContact CB-CB 4.19Å; I1276-W1351 VanDerWaalsContact CB-CD1 3.48Å; I1276-W1351 HydrophobicContact CB-CG 4.16Å; I1276-W1351 VanDerWaalsContact CB-N 3.27Å; I1276-W1351 HydrophobicContact CD1-CB 4.48Å; I1276-W1351 VanDerWaalsContact CD1-N 3.31Å; I1276-W1351 HydrophobicContact CG1-CB 3.57Å; I1276-W1351 HydrophobicContact CG1-CG 3.59Å; I1276-W1351 VanDerWaalsContact N-CB 3.3Å; I1276-F1352 PolarHBondContact N-O 3.44Å; I1276-F1352 CarbonylContact O-C 3.58Å; I1276-F1352 WeakPolarHBondContact O-CA 3.45Å; I1276-F1352 WeakPolarHBondContact O-CB 3.14Å; I1276-F1352 PolarHBondContact O-N 3Å; I1276-H1353 CarbonylContact C-O 3.54Å; I1276-H1353 WeakPolarHBondContact CA-O 3.1Å; I1276-H1353 PolarHBondContact O-N 2.98Å; I1276-H1353 VanDerWaalsContact O-N 3.1Å; I1276-L1356 HydrophobicContact CG2-CD2 3.94Å; I1276-L1356 WeakPolarHBondContact CG2-O 3.48Å; I1276-K1358 HydrophobicContact CD1-CB 3.95Å; I1276-K1358 HydrophobicContact CD1-CD 4.4Å; I1276-K1358 HydrophobicContact CG1-CB 3.89Å | ||
| 1277 | F | 36.8 | Very low | 38 | Very low | 59.6 Ų | 59.6 | 91.6 Ų | 91.6 | 26% | 0.261 | 45% | 0.453 | S | S | . | . | trans | -64.3 | 122.2 | 161.1 | -78.5 | -80.9 | 0 | 0 | 0 | 110.1 | F1275 Q1281 R1282 F1285 H1353 L1355 L1356 M1396 | F1275-F1277 VanDerWaalsContact C-N 3.31Å; F1275-F1277 PolarHBondContact O-N 3.11Å; F1277-Q1281 HydrophobicContact CB-CB 4Å; F1277-Q1281 HydrophobicContact CD1-CB 3.89Å; F1277-R1282 HydrophobicContact CB-CG 3.87Å; F1277-R1282 VanDerWaalsContact O-CZ 3.29Å; F1277-R1282 PolarHBondContact O-NE 3.1Å; F1277-R1282 PolarHBondContact O-NH2 3.02Å; F1277-F1285 HydrophobicContact CD1-CB 3.6Å; F1277-F1285 HydrophobicContact CD1-CD1 4.43Å; F1277-F1285 HydrophobicContact CD1-CD2 4.41Å; F1277-F1285 AromaticContact CD1-CG 3.92Å; F1277-F1285 HydrophobicContact CD1-CG 3.92Å; F1277-F1285 HydrophobicContact CE1-CB 3.65Å; F1277-F1285 AromaticContact CE1-CD1 3.64Å; F1277-F1285 HydrophobicContact CE1-CD1 3.64Å; F1277-F1285 AromaticContact CE1-CD2 3.35Å; F1277-F1285 HydrophobicContact CE1-CD2 3.91Å; F1277-F1285 HydrophobicContact CE1-CE1 4.23Å; F1277-F1285 AromaticContact CE1-CE2 3.97Å; F1277-F1285 HydrophobicContact CE1-CE2 3.97Å; F1277-F1285 AromaticContact CE1-CG 3.14Å; F1277-F1285 HydrophobicContact CE1-CG 3.64Å; F1277-F1285 HydrophobicContact CE1-CZ 4.37Å; F1277-F1285 HydrophobicContact CE2-CD1 4.26Å; F1277-F1285 HydrophobicContact CE2-CE1 4.44Å; F1277-F1285 HydrophobicContact CZ-CB 4.16Å; F1277-F1285 AromaticContact CZ-CD1 3.51Å; F1277-F1285 HydrophobicContact CZ-CD1 3.51Å; F1277-F1285 AromaticContact CZ-CD2 3.75Å; F1277-F1285 HydrophobicContact CZ-CD2 4.06Å; F1277-F1285 AromaticContact CZ-CE1 3.7Å; F1277-F1285 HydrophobicContact CZ-CE1 3.7Å; F1277-F1285 AromaticContact CZ-CE2 3.92Å; F1277-F1285 HydrophobicContact CZ-CE2 3.92Å; F1277-F1285 AromaticContact CZ-CG 3.53Å; F1277-F1285 HydrophobicContact CZ-CG 3.9Å; F1277-F1285 AromaticContact CZ-CZ 3.89Å; F1277-F1285 HydrophobicContact CZ-CZ 3.89Å; F1277-H1353 VanDerWaalsContact CD2-O 3.26Å; F1277-H1353 WeakPolarHBondContact CD2-O 3.12Å; F1277-H1353 HydrophobicContact CE1-CB 4.2Å; F1277-H1353 AromaticContact CE1-CD2 3.53Å; F1277-H1353 VanDerWaalsContact CE2-C 3.43Å; F1277-H1353 WeakPolarHBondContact CE2-O 3.45Å; F1277-H1353 HydrophobicContact CZ-CB 4.4Å; F1277-H1353 AromaticContact CZ-CD2 3.26Å; F1277-H1353 WeakPolarHBondContact CZ-CD2 3.37Å; F1277-H1353 AromaticContact CZ-NE2 3.71Å; F1277-H1353 PolarHBondContact N-O 2.77Å; F1277-H1353 VanDerWaalsContact N-O 3.1Å; F1277-L1355 WeakPolarHBondContact CD2-O 3.04Å; F1277-L1356 HydrophobicContact CB-CD2 3.95Å; F1277-L1356 HydrophobicContact CD2-CD1 4.05Å; F1277-L1356 HydrophobicContact CD2-CD2 4.02Å; F1277-L1356 WeakPolarHBondContact O-CD2 3.44Å; F1277-M1396 HydrophobicContact CB-CE 4.37Å; F1277-M1396 HydrophobicContact CD2-CE 3.93Å; F1277-M1396 VanDerWaalsContact CD2-CE 3.49Å; F1277-M1396 HydrophobicContact CE2-CE 3.73Å; F1277-M1396 HydrophobicContact CG-CE 3.98Å; F1277-M1396 HydrophobicContact CZ-CE 4.31Å | ||
| 1278 | N | 42.5 | Very low | 39.4 | Very low | 77 Ų | 77 | 87.2 Ų | 87.2 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | trans | -67.3 | 156.6 | 170.9 | -168.1 | 23.5 | 0 | 0 | 0 | 110.4 | N1171 I1276 D1280 Q1281 R1282 S1348 | N1171-N1278 PolarHBondContact ND2-OD1 3.07Å; I1276-N1278 PolarHBondContact O-N 2.89Å; N1278-D1280 VanDerWaalsContact C-N 3.27Å; N1278-D1280 PolarHBondContact ND2-OD2 3.24Å; N1278-D1280 PolarHBondContact O-N 3.02Å; N1278-D1280 VanDerWaalsContact O-N 3.11Å; N1278-D1280 PolarHBondContact OD1-N 2.93Å; N1278-D1280 VanDerWaalsContact OD1-N 3.13Å; N1278-Q1281 HydrophobicContact CB-CG 4.17Å; N1278-Q1281 VanDerWaalsContact N-OE1 3.16Å; N1278-Q1281 CarbonylContact O-C 3.53Å; N1278-Q1281 WeakPolarHBondContact O-CA 3.32Å; N1278-Q1281 WeakPolarHBondContact O-CB 3.19Å; N1278-Q1281 PolarHBondContact O-N 3.13Å; N1278-Q1281 WeakPolarHBondContact OD1-CB 3.4Å; N1278-Q1281 VanDerWaalsContact OD1-CG 3.29Å; N1278-Q1281 WeakPolarHBondContact OD1-CG 3.33Å; N1278-Q1281 PolarHBondContact OD1-N 3.04Å; N1278-R1282 WeakPolarHBondContact O-CG 3.34Å; N1278-R1282 PolarHBondContact O-N 3.19Å; N1278-S1348 WeakPolarHBondContact ND2-CB 3.43Å | ||
| 1279 | T | 44.7 | Very low | 40.8 | Very low | 63 Ų | 63 | 82.1 Ų | 82.1 | 39% | 0.387 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -52 | -41.4 | -173.7 | -41.9 | 0 | 0 | 0 | 0 | 113.1 | K1167 D1170 F1223 I1227 Q1281 R1282 I1283 | K1167-T1279 VanDerWaalsContact NZ-CG2 3.28Å; D1170-T1279 WeakPolarHBondContact OD2-CA 3.23Å; D1170-T1279 PolarHBondContact OD2-N 3.18Å; F1223-T1279 HydrophobicContact CE1-CG2 4.03Å; F1223-T1279 HydrophobicContact CE2-CG2 4.39Å; F1223-T1279 HydrophobicContact CZ-CG2 3.64Å; I1227-T1279 HydrophobicContact CD1-CG2 3.72Å; T1279-Q1281 VanDerWaalsContact C-N 3.32Å; T1279-Q1281 PolarHBondContact O-N 3.19Å; T1279-R1282 WeakPolarHBondContact O-CB 3.37Å; T1279-R1282 PolarHBondContact O-N 3.19Å; T1279-R1282 VanDerWaalsContact O-N 3.15Å; T1279-I1283 HydrophobicContact CG2-CD1 4.36Å; T1279-I1283 VanDerWaalsContact O-CG1 3.27Å; T1279-I1283 WeakPolarHBondContact O-CG1 3.26Å; T1279-I1283 PolarHBondContact O-N 2.92Å; T1279-I1283 VanDerWaalsContact O-N 3.14Å |
| 1280 | D | 44.7 | Very low | 42.1 | Very low | 79.8 Ų | 79.8 | 76.1 Ų | 76.1 | 43% | 0.427 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 177.7 | -55.3 | -42.8 | 0 | 0 | 0 | 112.2 | L1220 N1278 R1282 I1283 E1284 H1315 K1317 F1503 | L1220-D1280 VanDerWaalsContact CD2-OD1 3.31Å; L1220-D1280 WeakPolarHBondContact CD2-OD1 3.3Å; N1278-D1280 VanDerWaalsContact C-N 3.27Å; N1278-D1280 PolarHBondContact ND2-OD2 3.24Å; N1278-D1280 PolarHBondContact O-N 3.02Å; N1278-D1280 VanDerWaalsContact O-N 3.11Å; N1278-D1280 PolarHBondContact OD1-N 2.93Å; N1278-D1280 VanDerWaalsContact OD1-N 3.13Å; D1280-R1282 VanDerWaalsContact C-N 3.29Å; D1280-R1282 PolarHBondContact O-N 3.1Å; D1280-I1283 CarbonylContact O-C 3.1Å; D1280-I1283 WeakPolarHBondContact O-CB 3.12Å; D1280-I1283 PolarHBondContact O-N 3.14Å; D1280-I1283 VanDerWaalsContact O-N 3.15Å; D1280-E1284 WeakPolarHBondContact O-CB 3.4Å; D1280-E1284 PolarHBondContact O-N 3.25Å; D1280-H1315 IonicContact OD1-CE1 3.52Å; D1280-H1315 PolarHBondContact OD1-CE1 2.79Å; D1280-H1315 IonicContact OD1-CG 2.7Å; D1280-H1315 IonicContact OD1-ND1 3.39Å; D1280-H1315 PolarHBondContact OD1-ND1 3.4Å; D1280-K1317 HydrophobicContact CB-CD 3.98Å; D1280-K1317 VanDerWaalsContact CG-NZ 3.27Å; D1280-K1317 WeakPolarHBondContact OD1-CB 3.46Å; D1280-K1317 VanDerWaalsContact OD1-CD 3.29Å; D1280-K1317 WeakPolarHBondContact OD1-CD 3.31Å; D1280-K1317 VanDerWaalsContact OD1-CG 3.25Å; D1280-K1317 WeakPolarHBondContact OD1-CG 3.15Å; D1280-K1317 WeakPolarHBondContact OD2-CD 3.48Å; D1280-K1317 WeakPolarHBondContact OD2-CE 3.43Å; D1280-K1317 IonicContact OD2-NZ 3.36Å; D1280-K1317 PolarHBondContact OD2-NZ 3.19Å; D1280-F1503 HydrophobicContact CB-CE1 4.37Å; D1280-F1503 WeakPolarHBondContact O-CZ 3.09Å |
| 1281 | Q | 50.7 | Low | 43.4 | Very low | 76.2 Ų | 76.2 | 76.7 Ų | 76.7 | 36% | 0.356 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68 | -31.8 | 176.8 | -61.4 | 176.2 | -40.2 | 0 | 0 | 111.9 | I1276 F1277 N1278 T1279 I1283 F1285 Q1349 F1503 | I1276-Q1281 PolarHBondContact O-OE1 3.36Å; F1277-Q1281 HydrophobicContact CB-CB 4Å; F1277-Q1281 HydrophobicContact CD1-CB 3.89Å; N1278-Q1281 HydrophobicContact CB-CG 4.17Å; N1278-Q1281 VanDerWaalsContact N-OE1 3.16Å; N1278-Q1281 CarbonylContact O-C 3.53Å; N1278-Q1281 WeakPolarHBondContact O-CA 3.32Å; N1278-Q1281 WeakPolarHBondContact O-CB 3.19Å; N1278-Q1281 PolarHBondContact O-N 3.13Å; N1278-Q1281 WeakPolarHBondContact OD1-CB 3.4Å; N1278-Q1281 VanDerWaalsContact OD1-CG 3.29Å; N1278-Q1281 WeakPolarHBondContact OD1-CG 3.33Å; N1278-Q1281 PolarHBondContact OD1-N 3.04Å; T1279-Q1281 VanDerWaalsContact C-N 3.32Å; T1279-Q1281 PolarHBondContact O-N 3.19Å; Q1281-I1283 VanDerWaalsContact C-N 3.27Å; Q1281-F1285 WeakPolarHBondContact O-CB 3.34Å; Q1281-F1285 PolarHBondContact O-N 3.05Å; Q1281-Q1349 VanDerWaalsContact CD-CG 3.49Å; Q1281-Q1349 HydrophobicContact CG-CG 4.35Å; Q1281-F1503 HydrophobicContact CB-CE2 4.02Å; Q1281-F1503 HydrophobicContact CB-CZ 4.16Å; Q1281-F1503 HydrophobicContact CG-CD2 4.43Å; Q1281-F1503 HydrophobicContact CG-CE2 3.71Å; Q1281-F1503 HydrophobicContact CG-CZ 3.82Å |
| 1282 | R | 48.2 | Very low | 44.7 | Very low | 64.8 Ų | 64.8 | 69.1 Ų | 69.1 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 170.4 | -71 | -179.6 | -175.3 | 175.3 | -2.5 | 110.5 | D1170 F1277 N1278 T1279 D1280 F1285 L1286 L1356 M1396 | D1170-R1282 VanDerWaalsContact OD1-CD 3.24Å; D1170-R1282 WeakPolarHBondContact OD1-CD 3.5Å; D1170-R1282 IonicContact OD1-CZ 2.69Å; D1170-R1282 IonicContact OD1-NE 3.76Å; D1170-R1282 IonicContact OD1-NH1 2.74Å; D1170-R1282 PolarHBondContact OD1-NH1 3.43Å; D1170-R1282 WeakPolarHBondContact OD2-CB 3.34Å; D1170-R1282 WeakPolarHBondContact OD2-CD 3.15Å; D1170-R1282 WeakPolarHBondContact OD2-CG 3.12Å; F1277-R1282 HydrophobicContact CB-CG 3.87Å; F1277-R1282 VanDerWaalsContact O-CZ 3.29Å; F1277-R1282 PolarHBondContact O-NE 3.1Å; F1277-R1282 PolarHBondContact O-NH2 3.02Å; N1278-R1282 WeakPolarHBondContact O-CG 3.34Å; N1278-R1282 PolarHBondContact O-N 3.19Å; T1279-R1282 WeakPolarHBondContact O-CB 3.37Å; T1279-R1282 PolarHBondContact O-N 3.19Å; T1279-R1282 VanDerWaalsContact O-N 3.15Å; D1280-R1282 VanDerWaalsContact C-N 3.29Å; D1280-R1282 PolarHBondContact O-N 3.1Å; R1282-F1285 PolarHBondContact O-N 3.24Å; R1282-L1286 HydrophobicContact CB-CD1 4.48Å; R1282-L1286 VanDerWaalsContact O-CB 3.23Å; R1282-L1286 WeakPolarHBondContact O-CB 3.42Å; R1282-L1286 WeakPolarHBondContact O-CD1 3.42Å; R1282-L1286 VanDerWaalsContact O-CG 3.27Å; R1282-L1286 WeakPolarHBondContact O-CG 3.12Å; R1282-L1286 PolarHBondContact O-N 3.12Å; R1282-L1356 HydrophobicContact CG-CD2 4.37Å; R1282-M1396 HydrophobicContact CB-CE 3.61Å; R1282-M1396 HydrophobicContact CG-CE 3.89Å; R1282-M1396 PolarHBondContact NH2-O 3.05Å |
| 1283 | I | 49.5 | Very low | 45.9 | Very low | 28.6 Ų | 28.6 | 62.5 Ų | 62.5 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 179 | -65.9 | 166 | 0 | 0 | 0 | 110.6 | F1223 T1279 D1280 Q1281 F1285 L1286 L1287 L1309 M1312 H1315 L1318 I1322 | F1223-I1283 HydrophobicContact CE1-CD1 4.47Å; T1279-I1283 HydrophobicContact CG2-CD1 4.36Å; T1279-I1283 VanDerWaalsContact O-CG1 3.27Å; T1279-I1283 WeakPolarHBondContact O-CG1 3.26Å; T1279-I1283 PolarHBondContact O-N 2.92Å; T1279-I1283 VanDerWaalsContact O-N 3.14Å; D1280-I1283 CarbonylContact O-C 3.1Å; D1280-I1283 WeakPolarHBondContact O-CB 3.12Å; D1280-I1283 PolarHBondContact O-N 3.14Å; D1280-I1283 VanDerWaalsContact O-N 3.15Å; Q1281-I1283 VanDerWaalsContact C-N 3.27Å; I1283-F1285 VanDerWaalsContact C-N 3.34Å; I1283-F1285 PolarHBondContact O-N 3.24Å; I1283-L1286 PolarHBondContact O-N 3.08Å; I1283-L1287 HydrophobicContact CG2-CD1 4Å; I1283-L1287 HydrophobicContact CG2-CG 4.41Å; I1283-L1287 WeakPolarHBondContact O-CB 3.35Å; I1283-L1287 VanDerWaalsContact O-CG 3.28Å; I1283-L1287 WeakPolarHBondContact O-CG 3.41Å; I1283-L1287 PolarHBondContact O-N 3.08Å; I1283-L1309 HydrophobicContact CG2-CD2 4.43Å; I1283-M1312 HydrophobicContact CG1-SD 4.29Å; I1283-H1315 HydrophobicContact CD1-CB 3.7Å; I1283-L1318 HydrophobicContact CD1-CD1 3.9Å; I1283-L1318 HydrophobicContact CD1-CD2 3.96Å; I1283-L1318 HydrophobicContact CG1-CD1 4.03Å; I1283-L1318 HydrophobicContact CG1-CD2 4.31Å; I1283-L1318 HydrophobicContact CG2-CD1 4.27Å; I1283-L1318 HydrophobicContact CG2-CD2 4.2Å; I1283-I1322 HydrophobicContact CG2-CD1 4.47Å |
| 1284 | E | 52 | Low | 47 | Very low | 91.8 Ų | 91.8 | 63 Ų | 63 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.9 | -173.2 | 176.7 | 173.4 | 0 | 0 | 112.3 | D1280 L1286 L1287 N1288 S1502 F1503 | D1280-E1284 WeakPolarHBondContact O-CB 3.4Å; D1280-E1284 PolarHBondContact O-N 3.25Å; E1284-L1286 VanDerWaalsContact C-N 3.34Å; E1284-L1287 WeakPolarHBondContact O-CB 3.49Å; E1284-L1287 PolarHBondContact O-N 3.03Å; E1284-N1288 WeakPolarHBondContact O-CB 3.32Å; E1284-N1288 PolarHBondContact O-N 3.16Å; E1284-N1288 PolarHBondContact O-ND2 3.25Å; E1284-S1502 VanDerWaalsContact OE1-CB 3.25Å; E1284-S1502 WeakPolarHBondContact OE1-CB 3.26Å; E1284-S1502 PolarHBondContact OE1-OG 3.07Å; E1284-S1502 WeakPolarHBondContact OE2-CB 3.23Å; E1284-S1502 PolarHBondContact OE2-OG 3.41Å; E1284-F1503 HydrophobicContact CB-CE1 4.43Å; E1284-F1503 HydrophobicContact CB-CE2 3.54Å; E1284-F1503 HydrophobicContact CB-CZ 3.38Å; E1284-F1503 HydrophobicContact CG-CE2 3.85Å; E1284-F1503 HydrophobicContact CG-CZ 4.06Å; E1284-F1503 VanDerWaalsContact OE1-CD2 3.22Å; E1284-F1503 WeakPolarHBondContact OE1-CD2 3.32Å; E1284-F1503 VanDerWaalsContact OE1-CE2 3.23Å; E1284-F1503 WeakPolarHBondContact OE1-CE2 3.03Å; E1284-F1503 WeakPolarHBondContact OE2-CE2 3.17Å; E1284-F1503 WeakPolarHBondContact OE2-CZ 2.12Å |
| 1285 | F | 51.9 | Low | 48 | Very low | 48.4 Ų | 48.4 | 60.3 Ų | 60.3 | 21% | 0.212 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 174.8 | -178.4 | -101.3 | 0 | 0 | 0 | 112.1 | F1277 Q1281 R1282 I1283 L1287 N1288 L1289 H1353 L1355 L1392 M1396 L1499 | F1277-F1285 HydrophobicContact CD1-CB 3.6Å; F1277-F1285 HydrophobicContact CD1-CD1 4.43Å; F1277-F1285 HydrophobicContact CD1-CD2 4.41Å; F1277-F1285 AromaticContact CD1-CG 3.92Å; F1277-F1285 HydrophobicContact CD1-CG 3.92Å; F1277-F1285 HydrophobicContact CE1-CB 3.65Å; F1277-F1285 AromaticContact CE1-CD1 3.64Å; F1277-F1285 HydrophobicContact CE1-CD1 3.64Å; F1277-F1285 AromaticContact CE1-CD2 3.35Å; F1277-F1285 HydrophobicContact CE1-CD2 3.91Å; F1277-F1285 HydrophobicContact CE1-CE1 4.23Å; F1277-F1285 AromaticContact CE1-CE2 3.97Å; F1277-F1285 HydrophobicContact CE1-CE2 3.97Å; F1277-F1285 AromaticContact CE1-CG 3.14Å; F1277-F1285 HydrophobicContact CE1-CG 3.64Å; F1277-F1285 HydrophobicContact CE1-CZ 4.37Å; F1277-F1285 HydrophobicContact CE2-CD1 4.26Å; F1277-F1285 HydrophobicContact CE2-CE1 4.44Å; F1277-F1285 HydrophobicContact CZ-CB 4.16Å; F1277-F1285 AromaticContact CZ-CD1 3.51Å; F1277-F1285 HydrophobicContact CZ-CD1 3.51Å; F1277-F1285 AromaticContact CZ-CD2 3.75Å; F1277-F1285 HydrophobicContact CZ-CD2 4.06Å; F1277-F1285 AromaticContact CZ-CE1 3.7Å; F1277-F1285 HydrophobicContact CZ-CE1 3.7Å; F1277-F1285 AromaticContact CZ-CE2 3.92Å; F1277-F1285 HydrophobicContact CZ-CE2 3.92Å; F1277-F1285 AromaticContact CZ-CG 3.53Å; F1277-F1285 HydrophobicContact CZ-CG 3.9Å; F1277-F1285 AromaticContact CZ-CZ 3.89Å; F1277-F1285 HydrophobicContact CZ-CZ 3.89Å; Q1281-F1285 WeakPolarHBondContact O-CB 3.34Å; Q1281-F1285 PolarHBondContact O-N 3.05Å; R1282-F1285 PolarHBondContact O-N 3.24Å; I1283-F1285 VanDerWaalsContact C-N 3.34Å; I1283-F1285 PolarHBondContact O-N 3.24Å; F1285-L1287 VanDerWaalsContact C-N 3.32Å; F1285-L1287 PolarHBondContact O-N 3.06Å; F1285-N1288 CarbonylContact O-C 2.6Å; F1285-N1288 PolarHBondContact O-N 2.99Å; F1285-N1288 VanDerWaalsContact O-N 3.11Å; F1285-L1289 HydrophobicContact CE1-CB 4.48Å; F1285-L1289 HydrophobicContact CE1-CD1 4.46Å; F1285-L1289 HydrophobicContact CE1-CD2 4.34Å; F1285-L1289 WeakPolarHBondContact O-CB 3.37Å; F1285-L1289 PolarHBondContact O-N 3Å; F1285-H1353 AromaticContact CE2-CD2 3.87Å; F1285-L1355 HydrophobicContact CE2-CD2 4.18Å; F1285-L1392 HydrophobicContact CE1-CB 4.45Å; F1285-L1392 HydrophobicContact CE1-CD1 3.83Å; F1285-L1392 HydrophobicContact CE1-CD2 3.82Å; F1285-L1392 HydrophobicContact CE1-CG 4.26Å; F1285-L1392 HydrophobicContact CZ-CB 4.5Å; F1285-L1392 HydrophobicContact CZ-CD1 3.81Å; F1285-L1392 HydrophobicContact CZ-CD2 3.84Å; F1285-L1392 HydrophobicContact CZ-CG 4.33Å; F1285-M1396 HydrophobicContact CD1-CE 4.07Å; F1285-M1396 HydrophobicContact CD1-SD 4.26Å; F1285-M1396 HydrophobicContact CE1-CE 4.26Å; F1285-M1396 HydrophobicContact CE1-SD 3.8Å; F1285-L1499 HydrophobicContact CD2-CD2 4.26Å; F1285-L1499 HydrophobicContact CE2-CD1 4.32Å; F1285-L1499 HydrophobicContact CE2-CD2 4.08Å |
| 1286 | L | 54.1 | Low | 49 | Very low | 11.6 Ų | 11.6 | 56.3 Ų | 56.3 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | 176 | -71.4 | 167.8 | 0 | 0 | 0 | 112.2 | R1282 I1283 E1284 N1288 L1289 S1290 I1305 L1308 L1309 M1312 L1314 M1396 | R1282-L1286 HydrophobicContact CB-CD1 4.48Å; R1282-L1286 VanDerWaalsContact O-CB 3.23Å; R1282-L1286 WeakPolarHBondContact O-CB 3.42Å; R1282-L1286 WeakPolarHBondContact O-CD1 3.42Å; R1282-L1286 VanDerWaalsContact O-CG 3.27Å; R1282-L1286 WeakPolarHBondContact O-CG 3.12Å; R1282-L1286 PolarHBondContact O-N 3.12Å; I1283-L1286 PolarHBondContact O-N 3.08Å; E1284-L1286 VanDerWaalsContact C-N 3.34Å; L1286-N1288 VanDerWaalsContact C-N 3.33Å; L1286-L1289 HydrophobicContact CD2-CD2 4.45Å; L1286-L1289 PolarHBondContact O-N 3.08Å; L1286-S1290 WeakPolarHBondContact O-CB 3.36Å; L1286-S1290 PolarHBondContact O-N 3.3Å; L1286-S1290 PolarHBondContact O-OG 3.22Å; L1286-I1305 HydrophobicContact CB-CG2 4.03Å; L1286-I1305 HydrophobicContact CD2-CG2 4.29Å; L1286-L1308 HydrophobicContact CD1-CD2 3.8Å; L1286-L1308 HydrophobicContact CD1-CG 4.34Å; L1286-L1308 HydrophobicContact CD2-CD2 3.99Å; L1286-L1309 HydrophobicContact CB-CD2 4.39Å; L1286-L1309 HydrophobicContact CD1-CD2 4.26Å; L1286-L1309 HydrophobicContact CD2-CD2 4.02Å; L1286-L1309 VanDerWaalsContact CD2-CD2 3.49Å; L1286-L1309 HydrophobicContact CG-CD2 4.38Å; L1286-M1312 HydrophobicContact CD1-CE 3.77Å; L1286-M1312 HydrophobicContact CD1-SD 4.14Å; L1286-M1312 VanDerWaalsContact CD1-SD 3.56Å; L1286-M1312 HydrophobicContact CD2-CE 3.82Å; L1286-M1312 HydrophobicContact CD2-SD 3.82Å; L1286-M1312 HydrophobicContact CG-SD 4.26Å; L1286-L1314 HydrophobicContact CD1-CD1 4.31Å; L1286-L1314 HydrophobicContact CD1-CD2 4.27Å; L1286-M1396 HydrophobicContact CD1-CE 4.16Å; L1286-M1396 HydrophobicContact CD2-CE 4.4Å; L1286-M1396 HydrophobicContact CD2-SD 4.43Å; L1286-M1396 HydrophobicContact CG-CE 4.05Å |
| 1287 | L | 55 | Low | 49.7 | Very low | 38.8 Ų | 38.8 | 58.6 Ų | 58.6 | 20% | 0.203 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 172.7 | -75.1 | 168.2 | 0 | 0 | 0 | 111.9 | I1283 E1284 F1285 S1290 R1291 L1309 L1318 F1321 I1322 | I1283-L1287 HydrophobicContact CG2-CD1 4Å; I1283-L1287 HydrophobicContact CG2-CG 4.41Å; I1283-L1287 WeakPolarHBondContact O-CB 3.35Å; I1283-L1287 VanDerWaalsContact O-CG 3.28Å; I1283-L1287 WeakPolarHBondContact O-CG 3.41Å; I1283-L1287 PolarHBondContact O-N 3.08Å; E1284-L1287 WeakPolarHBondContact O-CB 3.49Å; E1284-L1287 PolarHBondContact O-N 3.03Å; F1285-L1287 VanDerWaalsContact C-N 3.32Å; F1285-L1287 PolarHBondContact O-N 3.06Å; L1287-S1290 WeakPolarHBondContact CA-OG 3.37Å; L1287-S1290 PolarHBondContact O-N 2.93Å; L1287-S1290 PolarHBondContact O-OG 2.97Å; L1287-S1290 VanDerWaalsContact O-OG 3.09Å; L1287-R1291 WeakPolarHBondContact O-CB 3.36Å; L1287-R1291 WeakPolarHBondContact O-CD 3.18Å; L1287-R1291 VanDerWaalsContact O-CG 3.27Å; L1287-R1291 WeakPolarHBondContact O-CG 3.41Å; L1287-R1291 PolarHBondContact O-N 3.21Å; L1287-L1309 HydrophobicContact CD2-CD1 4.12Å; L1287-L1318 HydrophobicContact CD1-CD1 4.41Å; L1287-F1321 HydrophobicContact CD1-CD1 4.32Å; L1287-F1321 HydrophobicContact CD1-CE1 4.45Å; L1287-F1321 HydrophobicContact CD1-CG 4.43Å; L1287-F1321 HydrophobicContact CD2-CE1 4.45Å; L1287-I1322 HydrophobicContact CD2-CG1 4.25Å; L1287-I1322 HydrophobicContact CD2-CG2 3.93Å |
| 1288 | N | 54.4 | Low | 50.1 | Low | 43.8 Ų | 43.8 | 59.4 Ų | 59.4 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.4 | -35.8 | 175.8 | -72.4 | -28.5 | 0 | 0 | 0 | 112.4 | E1284 F1285 L1286 S1290 R1291 I1292 L1499 | E1284-N1288 WeakPolarHBondContact O-CB 3.32Å; E1284-N1288 PolarHBondContact O-N 3.16Å; E1284-N1288 PolarHBondContact O-ND2 3.25Å; F1285-N1288 CarbonylContact O-C 2.6Å; F1285-N1288 PolarHBondContact O-N 2.99Å; F1285-N1288 VanDerWaalsContact O-N 3.11Å; L1286-N1288 VanDerWaalsContact C-N 3.33Å; N1288-S1290 VanDerWaalsContact C-N 3.32Å; N1288-S1290 PolarHBondContact O-N 2.98Å; N1288-R1291 WeakPolarHBondContact O-CB 3.46Å; N1288-R1291 PolarHBondContact O-N 3.24Å; N1288-R1291 PolarHBondContact OD1-NH1 3.14Å; N1288-R1291 VanDerWaalsContact OD1-NH1 3.08Å; N1288-I1292 WeakPolarHBondContact O-CB 3.35Å; N1288-I1292 WeakPolarHBondContact O-CD1 3.23Å; N1288-I1292 VanDerWaalsContact O-CG1 3.27Å; N1288-I1292 WeakPolarHBondContact O-CG1 3.32Å; N1288-I1292 PolarHBondContact O-N 3.27Å; N1288-I1292 VanDerWaalsContact O-N 3.13Å; N1288-L1499 HydrophobicContact CB-CD2 4.32Å |
| 1289 | L | 55.1 | Low | 50.4 | Low | 23.4 Ų | 23.4 | 59.3 Ų | 59.3 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 172.6 | -168.8 | 71.1 | 0 | 0 | 0 | 111.6 | F1285 L1286 I1292 A1293 I1305 I1389 | F1285-L1289 HydrophobicContact CE1-CB 4.48Å; F1285-L1289 HydrophobicContact CE1-CD1 4.46Å; F1285-L1289 HydrophobicContact CE1-CD2 4.34Å; F1285-L1289 WeakPolarHBondContact O-CB 3.37Å; F1285-L1289 PolarHBondContact O-N 3Å; L1286-L1289 HydrophobicContact CD2-CD2 4.45Å; L1286-L1289 PolarHBondContact O-N 3.08Å; L1289-I1292 CarbonylContact O-C 3.32Å; L1289-I1292 PolarHBondContact O-N 3.09Å; L1289-A1293 WeakPolarHBondContact O-CB 3.38Å; L1289-A1293 PolarHBondContact O-N 3.08Å; L1289-I1305 HydrophobicContact CB-CD1 4.14Å; L1289-I1305 HydrophobicContact CD2-CD1 3.69Å; L1289-I1305 HydrophobicContact CD2-CG1 4.28Å; L1289-I1305 HydrophobicContact CD2-CG2 3.86Å; L1289-I1305 HydrophobicContact CG-CD1 3.65Å; L1289-I1305 HydrophobicContact CG-CG2 3.93Å; L1289-I1389 HydrophobicContact CD1-CG1 4.28Å |
| 1290 | S | 53.2 | Low | 50.6 | Low | 12.4 Ų | 12.4 | 61 Ų | 61 | 9% | 0.087 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.5 | -35.6 | 174.9 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | L1286 L1287 N1288 I1292 A1293 L1294 | L1286-S1290 WeakPolarHBondContact O-CB 3.36Å; L1286-S1290 PolarHBondContact O-N 3.3Å; L1286-S1290 PolarHBondContact O-OG 3.22Å; L1287-S1290 WeakPolarHBondContact CA-OG 3.37Å; L1287-S1290 PolarHBondContact O-N 2.93Å; L1287-S1290 PolarHBondContact O-OG 2.97Å; L1287-S1290 VanDerWaalsContact O-OG 3.09Å; N1288-S1290 VanDerWaalsContact C-N 3.32Å; N1288-S1290 PolarHBondContact O-N 2.98Å; S1290-I1292 VanDerWaalsContact C-N 3.31Å; S1290-I1292 PolarHBondContact O-N 2.68Å; S1290-A1293 WeakPolarHBondContact O-CB 3.35Å; S1290-A1293 PolarHBondContact O-N 3.08Å; S1290-L1294 VanDerWaalsContact O-CB 3.3Å; S1290-L1294 WeakPolarHBondContact O-CB 3.23Å; S1290-L1294 WeakPolarHBondContact O-CD1 3.49Å; S1290-L1294 WeakPolarHBondContact O-CG 3.31Å; S1290-L1294 PolarHBondContact O-N 3.33Å |
| 1291 | R | 53.4 | Low | 50.8 | Low | 128.6 Ų | 128.6 | 58.1 Ų | 58.1 | 49% | 0.485 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 169.5 | -75.7 | 165.8 | 172.8 | 169.2 | -4.1 | 112.2 | L1287 N1288 A1293 L1294 A1295 L1329 | L1287-R1291 WeakPolarHBondContact O-CB 3.36Å; L1287-R1291 WeakPolarHBondContact O-CD 3.18Å; L1287-R1291 VanDerWaalsContact O-CG 3.27Å; L1287-R1291 WeakPolarHBondContact O-CG 3.41Å; L1287-R1291 PolarHBondContact O-N 3.21Å; N1288-R1291 WeakPolarHBondContact O-CB 3.46Å; N1288-R1291 PolarHBondContact O-N 3.24Å; N1288-R1291 PolarHBondContact OD1-NH1 3.14Å; N1288-R1291 VanDerWaalsContact OD1-NH1 3.08Å; R1291-A1293 VanDerWaalsContact C-N 3.35Å; R1291-L1294 PolarHBondContact O-N 3.11Å; R1291-A1295 WeakPolarHBondContact O-CB 3.27Å; R1291-A1295 PolarHBondContact O-N 3.14Å; R1291-L1329 HydrophobicContact CG-CD1 4.34Å |
| 1292 | I | 52.7 | Low | 50.7 | Low | 54 Ų | 54 | 58.2 Ų | 58.2 | 28% | 0.277 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 175.6 | -69.5 | 162.2 | 0 | 0 | 0 | 110.8 | N1288 L1289 S1290 L1294 A1295 L1296 W1351 L1355 L1385 L1499 | N1288-I1292 WeakPolarHBondContact O-CB 3.35Å; N1288-I1292 WeakPolarHBondContact O-CD1 3.23Å; N1288-I1292 VanDerWaalsContact O-CG1 3.27Å; N1288-I1292 WeakPolarHBondContact O-CG1 3.32Å; N1288-I1292 PolarHBondContact O-N 3.27Å; N1288-I1292 VanDerWaalsContact O-N 3.13Å; L1289-I1292 CarbonylContact O-C 3.32Å; L1289-I1292 PolarHBondContact O-N 3.09Å; S1290-I1292 VanDerWaalsContact C-N 3.31Å; S1290-I1292 PolarHBondContact O-N 2.68Å; I1292-L1294 VanDerWaalsContact C-N 3.31Å; I1292-L1294 PolarHBondContact O-N 2.99Å; I1292-A1295 CarbonylContact O-C 3.56Å; I1292-A1295 PolarHBondContact O-N 2.97Å; I1292-A1295 VanDerWaalsContact O-N 3.13Å; I1292-L1296 HydrophobicContact CG2-CD1 3.88Å; I1292-L1296 HydrophobicContact CG2-CG 4.33Å; I1292-L1296 WeakPolarHBondContact O-CB 3.18Å; I1292-L1296 VanDerWaalsContact O-CG 3.32Å; I1292-L1296 WeakPolarHBondContact O-CG 3.38Å; I1292-L1296 PolarHBondContact O-N 3.16Å; I1292-L1296 VanDerWaalsContact O-N 3.13Å; I1292-W1351 HydrophobicContact CG2-CH2 3.72Å; I1292-W1351 HydrophobicContact CG2-CZ2 3.99Å; I1292-L1355 HydrophobicContact CD1-CD1 3.71Å; I1292-L1355 HydrophobicContact CD1-CD2 3.55Å; I1292-L1355 HydrophobicContact CD1-CG 4.28Å; I1292-L1355 HydrophobicContact CG1-CD1 4.16Å; I1292-L1385 HydrophobicContact CG2-CD1 4.38Å; I1292-L1499 HydrophobicContact CD1-CD2 4.16Å |
| 1293 | A | 51.6 | Low | 50.9 | Low | 3.4 Ų | 3.4 | 59.8 Ų | 59.8 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1289 S1290 R1291 A1295 L1296 N1297 H1298 V1301 Y1302 I1305 | L1289-A1293 WeakPolarHBondContact O-CB 3.38Å; L1289-A1293 PolarHBondContact O-N 3.08Å; S1290-A1293 WeakPolarHBondContact O-CB 3.35Å; S1290-A1293 PolarHBondContact O-N 3.08Å; R1291-A1293 VanDerWaalsContact C-N 3.35Å; A1293-A1295 VanDerWaalsContact C-N 3.34Å; A1293-A1295 PolarHBondContact O-N 3.1Å; A1293-L1296 PolarHBondContact O-N 2.92Å; A1293-N1297 PolarHBondContact O-N 2.86Å; A1293-H1298 PolarHBondContact O-N 2.89Å; A1293-V1301 HydrophobicContact CB-CB 4.14Å; A1293-V1301 HydrophobicContact CB-CG1 3.95Å; A1293-Y1302 HydrophobicContact CB-CD2 3.79Å; A1293-I1305 HydrophobicContact CB-CB 4.32Å; A1293-I1305 HydrophobicContact CB-CD1 3.62Å; A1293-I1305 VanDerWaalsContact CB-CD1 3.42Å; A1293-I1305 HydrophobicContact CB-CG1 4.39Å; A1293-I1305 HydrophobicContact CB-CG2 4.03Å |
| 1294 | L | 49.3 | Very low | 50.9 | Low | 59.8 Ų | 59.8 | 60.7 Ų | 60.7 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.1 | -37 | 173.1 | -78.1 | 169 | 0 | 0 | 0 | 112.6 | S1290 R1291 I1292 L1296 N1297 Y1302 L1326 L1329 V1330 I1383 | S1290-L1294 VanDerWaalsContact O-CB 3.3Å; S1290-L1294 WeakPolarHBondContact O-CB 3.23Å; S1290-L1294 WeakPolarHBondContact O-CD1 3.49Å; S1290-L1294 WeakPolarHBondContact O-CG 3.31Å; S1290-L1294 PolarHBondContact O-N 3.33Å; R1291-L1294 PolarHBondContact O-N 3.11Å; I1292-L1294 VanDerWaalsContact C-N 3.31Å; I1292-L1294 PolarHBondContact O-N 2.99Å; L1294-L1296 VanDerWaalsContact C-N 3.28Å; L1294-L1296 PolarHBondContact O-N 3.21Å; L1294-N1297 PolarHBondContact O-N 2.92Å; L1294-Y1302 HydrophobicContact CD1-CD2 3.7Å; L1294-Y1302 HydrophobicContact CD1-CE2 3.62Å; L1294-Y1302 HydrophobicContact CD2-CD1 4.21Å; L1294-Y1302 HydrophobicContact CD2-CD2 3.92Å; L1294-Y1302 HydrophobicContact CD2-CE1 4.41Å; L1294-Y1302 HydrophobicContact CD2-CE2 4Å; L1294-Y1302 HydrophobicContact CD2-CG 3.83Å; L1294-Y1302 HydrophobicContact CG-CD2 3.53Å; L1294-Y1302 HydrophobicContact CG-CE2 3.93Å; L1294-Y1302 HydrophobicContact CG-CG 4.06Å; L1294-L1326 HydrophobicContact CD1-CD2 3.59Å; L1294-L1326 VanDerWaalsContact CD1-CD2 3.48Å; L1294-L1326 HydrophobicContact CD2-CD2 3.92Å; L1294-L1326 HydrophobicContact CG-CD2 3.9Å; L1294-L1329 HydrophobicContact CD1-CB 3.67Å; L1294-L1329 HydrophobicContact CD1-CD1 3.93Å; L1294-L1329 HydrophobicContact CD1-CD2 4.29Å; L1294-L1329 HydrophobicContact CD1-CG 4.34Å; L1294-L1329 HydrophobicContact CD2-CB 4.32Å; L1294-V1330 HydrophobicContact CD2-CG2 3.79Å; L1294-V1330 VanDerWaalsContact CD2-CG2 3.49Å; L1294-I1383 HydrophobicContact CD1-CD1 4.45Å; L1294-I1383 HydrophobicContact CD1-CG2 4.49Å |
| 1295 | A | 48.6 | Very low | 50.9 | Low | 64 Ų | 64 | 56.9 Ų | 56.9 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.7 | -31.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1291 I1292 A1293 N1297 F1366 | R1291-A1295 WeakPolarHBondContact O-CB 3.27Å; R1291-A1295 PolarHBondContact O-N 3.14Å; I1292-A1295 CarbonylContact O-C 3.56Å; I1292-A1295 PolarHBondContact O-N 2.97Å; I1292-A1295 VanDerWaalsContact O-N 3.13Å; A1293-A1295 VanDerWaalsContact C-N 3.34Å; A1293-A1295 PolarHBondContact O-N 3.1Å; A1295-N1297 PolarHBondContact O-N 3.41Å; A1295-F1366 HydrophobicContact CB-CE1 4.41Å |
| 1296 | L | 48.9 | Very low | 51 | Low | 57.6 Ų | 57.6 | 56.4 Ų | 56.4 | 30% | 0.302 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8 | -179.5 | -70.8 | 171 | 0 | 0 | 0 | 114 | I1292 A1293 L1294 H1298 V1301 W1351 L1385 | I1292-L1296 HydrophobicContact CG2-CD1 3.88Å; I1292-L1296 HydrophobicContact CG2-CG 4.33Å; I1292-L1296 WeakPolarHBondContact O-CB 3.18Å; I1292-L1296 VanDerWaalsContact O-CG 3.32Å; I1292-L1296 WeakPolarHBondContact O-CG 3.38Å; I1292-L1296 PolarHBondContact O-N 3.16Å; I1292-L1296 VanDerWaalsContact O-N 3.13Å; A1293-L1296 PolarHBondContact O-N 2.92Å; L1294-L1296 VanDerWaalsContact C-N 3.28Å; L1294-L1296 PolarHBondContact O-N 3.21Å; L1296-H1298 VanDerWaalsContact C-N 3.26Å; L1296-H1298 WeakPolarHBondContact O-CB 3.27Å; L1296-H1298 PolarHBondContact O-CD2 3.27Å; L1296-H1298 PolarHBondContact O-N 3.28Å; L1296-H1298 VanDerWaalsContact O-N 3.13Å; L1296-V1301 HydrophobicContact CB-CG1 4.34Å; L1296-V1301 HydrophobicContact CD1-CG1 4.19Å; L1296-W1351 HydrophobicContact CD1-CH2 4.23Å; L1296-W1351 HydrophobicContact CD2-CH2 3.89Å; L1296-W1351 HydrophobicContact CG-CH2 4.11Å; L1296-L1385 HydrophobicContact CD1-CD1 4.47Å; L1296-L1385 HydrophobicContact CD1-CD2 3.38Å; L1296-L1385 VanDerWaalsContact CD1-CD2 3.43Å |
| 1297 | N | 46.1 | Very low | 50.9 | Low | 145 Ų | 145 | 59.6 Ų | 59.6 | 78% | 0.775 | 31% | 0.314 | S | S | * | . | trans | 48.2 | 31.5 | 169.8 | -157.6 | 23.5 | 0 | 0 | 0 | 115.7 | A1293 L1294 A1295 S1299 | A1293-N1297 PolarHBondContact O-N 2.86Å; L1294-N1297 PolarHBondContact O-N 2.92Å; A1295-N1297 PolarHBondContact O-N 3.41Å; N1297-S1299 PolarHBondContact O-N 3.37Å | ||
| 1298 | H | 46.4 | Very low | 50.7 | Low | 76 Ų | 76 | 59.2 Ų | 59.2 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | trans | -113.5 | 111.5 | -177.6 | -131.8 | -82.3 | 0 | 0 | 0 | 110.3 | A1293 L1296 N1300 V1301 Y1302 L1376 | A1293-H1298 PolarHBondContact O-N 2.89Å; L1296-H1298 VanDerWaalsContact C-N 3.26Å; L1296-H1298 WeakPolarHBondContact O-CB 3.27Å; L1296-H1298 PolarHBondContact O-CD2 3.27Å; L1296-H1298 PolarHBondContact O-N 3.28Å; L1296-H1298 VanDerWaalsContact O-N 3.13Å; H1298-N1300 VanDerWaalsContact C-N 3.29Å; H1298-N1300 PolarHBondContact O-N 2.99Å; H1298-N1300 VanDerWaalsContact O-N 3.14Å; H1298-V1301 HydrophobicContact CB-CB 4.31Å; H1298-V1301 HydrophobicContact CB-CG2 4.22Å; H1298-V1301 WeakPolarHBondContact O-CB 3.33Å; H1298-V1301 PolarHBondContact O-N 3.18Å; H1298-V1301 VanDerWaalsContact O-N 3.13Å; H1298-Y1302 PolarHBondContact O-N 3.18Å; H1298-Y1302 VanDerWaalsContact O-N 3.15Å; H1298-L1376 VanDerWaalsContact NE2-CB 3.33Å; H1298-L1376 WeakPolarHBondContact NE2-CB 3.46Å | ||
| 1299 | S | 47.1 | Very low | 50.6 | Low | 75.2 Ų | 75.2 | 58 Ų | 58 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -50.6 | -45.7 | -174.6 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | N1297 V1301 Y1302 H1303 | N1297-S1299 PolarHBondContact O-N 3.37Å; S1299-V1301 VanDerWaalsContact C-N 3.33Å; S1299-V1301 PolarHBondContact O-N 3.1Å; S1299-Y1302 PolarHBondContact O-N 3.11Å; S1299-H1303 VanDerWaalsContact O-CB 3.25Å; S1299-H1303 WeakPolarHBondContact O-CB 3.36Å; S1299-H1303 PolarHBondContact O-N 2.99Å |
| 1300 | N | 48.9 | Very low | 50.3 | Low | 98.6 Ų | 98.6 | 61.9 Ų | 61.9 | 53% | 0.527 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | -179 | -66.3 | -11.5 | 0 | 0 | 0 | 113 | H1298 S1304 | H1298-N1300 VanDerWaalsContact C-N 3.29Å; H1298-N1300 PolarHBondContact O-N 2.99Å; H1298-N1300 VanDerWaalsContact O-N 3.14Å; N1300-S1304 VanDerWaalsContact O-CB 3.28Å; N1300-S1304 WeakPolarHBondContact O-CB 3.31Å; N1300-S1304 PolarHBondContact O-N 3.08Å; N1300-S1304 VanDerWaalsContact O-N 3.1Å; N1300-S1304 PolarHBondContact O-OG 3.09Å |
| 1301 | V | 49 | Very low | 50 | Low | 18.8 Ų | 18.8 | 64.2 Ų | 64.2 | 11% | 0.114 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -76.1 | -44.5 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | A1293 L1296 H1298 S1299 H1303 S1304 I1305 Y1382 L1385 | A1293-V1301 HydrophobicContact CB-CB 4.14Å; A1293-V1301 HydrophobicContact CB-CG1 3.95Å; L1296-V1301 HydrophobicContact CB-CG1 4.34Å; L1296-V1301 HydrophobicContact CD1-CG1 4.19Å; H1298-V1301 HydrophobicContact CB-CB 4.31Å; H1298-V1301 HydrophobicContact CB-CG2 4.22Å; H1298-V1301 WeakPolarHBondContact O-CB 3.33Å; H1298-V1301 PolarHBondContact O-N 3.18Å; H1298-V1301 VanDerWaalsContact O-N 3.13Å; S1299-V1301 VanDerWaalsContact C-N 3.33Å; S1299-V1301 PolarHBondContact O-N 3.1Å; V1301-H1303 VanDerWaalsContact C-N 3.34Å; V1301-H1303 PolarHBondContact O-N 3.2Å; V1301-S1304 PolarHBondContact O-N 3.21Å; V1301-I1305 HydrophobicContact CG1-CD1 3.77Å; V1301-I1305 HydrophobicContact CG1-CG1 4.44Å; V1301-I1305 VanDerWaalsContact O-CB 3.29Å; V1301-I1305 WeakPolarHBondContact O-CB 3.42Å; V1301-I1305 VanDerWaalsContact O-CG1 3.27Å; V1301-I1305 WeakPolarHBondContact O-CG1 3.24Å; V1301-I1305 PolarHBondContact O-N 3.18Å; V1301-Y1382 HydrophobicContact CG2-CD2 4.28Å; V1301-Y1382 HydrophobicContact CG2-CE1 4.45Å; V1301-Y1382 HydrophobicContact CG2-CE2 3.7Å; V1301-L1385 HydrophobicContact CG1-CD2 4.3Å |
| 1302 | Y | 50 | Low | 49.5 | Very low | 78.6 Ų | 78.6 | 59.7 Ų | 59.7 | 31% | 0.308 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 173.2 | 178 | -94.8 | 0 | 0 | 0 | 111.7 | A1293 L1294 H1298 S1299 S1304 I1305 M1306 L1326 F1352 Y1387 | A1293-Y1302 HydrophobicContact CB-CD2 3.79Å; L1294-Y1302 HydrophobicContact CD1-CD2 3.7Å; L1294-Y1302 HydrophobicContact CD1-CE2 3.62Å; L1294-Y1302 HydrophobicContact CD2-CD1 4.21Å; L1294-Y1302 HydrophobicContact CD2-CD2 3.92Å; L1294-Y1302 HydrophobicContact CD2-CE1 4.41Å; L1294-Y1302 HydrophobicContact CD2-CE2 4Å; L1294-Y1302 HydrophobicContact CD2-CG 3.83Å; L1294-Y1302 HydrophobicContact CG-CD2 3.53Å; L1294-Y1302 HydrophobicContact CG-CE2 3.93Å; L1294-Y1302 HydrophobicContact CG-CG 4.06Å; H1298-Y1302 PolarHBondContact O-N 3.18Å; H1298-Y1302 VanDerWaalsContact O-N 3.15Å; S1299-Y1302 PolarHBondContact O-N 3.11Å; Y1302-S1304 VanDerWaalsContact C-N 3.33Å; Y1302-S1304 PolarHBondContact O-N 2.78Å; Y1302-I1305 PolarHBondContact O-N 3.19Å; Y1302-I1305 VanDerWaalsContact O-N 3.13Å; Y1302-M1306 HydrophobicContact CD1-CG 4.15Å; Y1302-M1306 HydrophobicContact CD2-CE 4.2Å; Y1302-M1306 HydrophobicContact CD2-CG 4.37Å; Y1302-M1306 HydrophobicContact CE1-CB 4.31Å; Y1302-M1306 HydrophobicContact CE1-CG 3.82Å; Y1302-M1306 HydrophobicContact CE2-CE 3.79Å; Y1302-M1306 VanDerWaalsContact CE2-CE 3.41Å; Y1302-M1306 HydrophobicContact CE2-CG 4.02Å; Y1302-M1306 HydrophobicContact CG-CG 4.45Å; Y1302-M1306 VanDerWaalsContact CZ-CG 3.4Å; Y1302-M1306 VanDerWaalsContact O-CB 3.25Å; Y1302-M1306 WeakPolarHBondContact O-CB 3.16Å; Y1302-M1306 VanDerWaalsContact O-CG 3.26Å; Y1302-M1306 WeakPolarHBondContact O-CG 3.28Å; Y1302-M1306 PolarHBondContact O-N 3.18Å; Y1302-M1306 WeakPolarHBondContact OH-CE 3.43Å; Y1302-L1326 HydrophobicContact CE2-CD1 4.38Å; Y1302-L1326 HydrophobicContact CE2-CD2 4.38Å; Y1302-F1352 HydrophobicContact CE1-CD2 4.35Å; Y1302-F1352 HydrophobicContact CE1-CE2 4.37Å; Y1302-F1352 AromaticContact CZ-CE2 3.93Å; Y1302-F1352 WeakPolarHBondContact OH-CE2 3.5Å; Y1302-Y1387 WeakPolarHBondContact OH-CE2 3.44Å; Y1302-Y1387 PolarHBondContact OH-OH 3.17Å |
| 1303 | H | 51.7 | Low | 48.9 | Very low | 98 Ų | 98 | 61.8 Ų | 61.8 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 177.9 | -166.7 | -13.3 | 0 | 0 | 0 | 111.7 | S1299 V1301 I1305 M1306 Q1307 | S1299-H1303 VanDerWaalsContact O-CB 3.25Å; S1299-H1303 WeakPolarHBondContact O-CB 3.36Å; S1299-H1303 PolarHBondContact O-N 2.99Å; V1301-H1303 VanDerWaalsContact C-N 3.34Å; V1301-H1303 PolarHBondContact O-N 3.2Å; H1303-I1305 VanDerWaalsContact C-N 3.33Å; H1303-I1305 PolarHBondContact O-N 3.06Å; H1303-M1306 PolarHBondContact O-N 3.21Å; H1303-Q1307 PolarHBondContact CD2-NE2 2.87Å; H1303-Q1307 VanDerWaalsContact CD2-NE2 3.3Å; H1303-Q1307 VanDerWaalsContact CE1-CD 3.44Å; H1303-Q1307 PolarHBondContact CE1-NE2 3.49Å; H1303-Q1307 VanDerWaalsContact CE1-NE2 3.33Å; H1303-Q1307 PolarHBondContact CE1-OE1 3.07Å; H1303-Q1307 VanDerWaalsContact CE1-OE1 3.32Å; H1303-Q1307 VanDerWaalsContact ND1-CD 3.35Å; H1303-Q1307 PolarHBondContact ND1-OE1 3.14Å; H1303-Q1307 PolarHBondContact NE2-NE2 2.89Å; H1303-Q1307 VanDerWaalsContact O-CB 3.24Å; H1303-Q1307 WeakPolarHBondContact O-CB 3.22Å; H1303-Q1307 VanDerWaalsContact O-CG 3.26Å; H1303-Q1307 WeakPolarHBondContact O-CG 3.23Å; H1303-Q1307 PolarHBondContact O-N 3.16Å; H1303-Q1307 PolarHBondContact O-OE1 3.06Å |
| 1304 | S | 50.1 | Low | 48.5 | Very low | 47 Ų | 47 | 64.2 Ų | 64.2 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 176.4 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | N1300 V1301 Y1302 Q1307 L1308 | N1300-S1304 VanDerWaalsContact O-CB 3.28Å; N1300-S1304 WeakPolarHBondContact O-CB 3.31Å; N1300-S1304 PolarHBondContact O-N 3.08Å; N1300-S1304 VanDerWaalsContact O-N 3.1Å; N1300-S1304 PolarHBondContact O-OG 3.09Å; V1301-S1304 PolarHBondContact O-N 3.21Å; Y1302-S1304 VanDerWaalsContact C-N 3.33Å; Y1302-S1304 PolarHBondContact O-N 2.78Å; S1304-Q1307 PolarHBondContact O-N 3.33Å; S1304-L1308 WeakPolarHBondContact O-CB 3.25Å; S1304-L1308 WeakPolarHBondContact O-CD1 3.25Å; S1304-L1308 PolarHBondContact O-N 3.19Å; S1304-L1308 VanDerWaalsContact O-N 3.15Å |
| 1305 | I | 51.7 | Low | 48.3 | Very low | 12.2 Ų | 12.2 | 65.5 Ų | 65.5 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -73.6 | -37.2 | 177.8 | -67.6 | 170.5 | 0 | 0 | 0 | 111.2 | L1286 L1289 A1293 V1301 Y1302 H1303 L1308 L1309 I1389 | L1286-I1305 HydrophobicContact CB-CG2 4.03Å; L1286-I1305 HydrophobicContact CD2-CG2 4.29Å; L1289-I1305 HydrophobicContact CB-CD1 4.14Å; L1289-I1305 HydrophobicContact CD2-CD1 3.69Å; L1289-I1305 HydrophobicContact CD2-CG1 4.28Å; L1289-I1305 HydrophobicContact CD2-CG2 3.86Å; L1289-I1305 HydrophobicContact CG-CD1 3.65Å; L1289-I1305 HydrophobicContact CG-CG2 3.93Å; A1293-I1305 HydrophobicContact CB-CB 4.32Å; A1293-I1305 HydrophobicContact CB-CD1 3.62Å; A1293-I1305 VanDerWaalsContact CB-CD1 3.42Å; A1293-I1305 HydrophobicContact CB-CG1 4.39Å; A1293-I1305 HydrophobicContact CB-CG2 4.03Å; V1301-I1305 HydrophobicContact CG1-CD1 3.77Å; V1301-I1305 HydrophobicContact CG1-CG1 4.44Å; V1301-I1305 VanDerWaalsContact O-CB 3.29Å; V1301-I1305 WeakPolarHBondContact O-CB 3.42Å; V1301-I1305 VanDerWaalsContact O-CG1 3.27Å; V1301-I1305 WeakPolarHBondContact O-CG1 3.24Å; V1301-I1305 PolarHBondContact O-N 3.18Å; Y1302-I1305 PolarHBondContact O-N 3.19Å; Y1302-I1305 VanDerWaalsContact O-N 3.13Å; H1303-I1305 VanDerWaalsContact C-N 3.33Å; H1303-I1305 PolarHBondContact O-N 3.06Å; I1305-L1308 CarbonylContact O-C 3.54Å; I1305-L1308 WeakPolarHBondContact O-CA 3.31Å; I1305-L1308 VanDerWaalsContact O-CB 3.32Å; I1305-L1308 WeakPolarHBondContact O-CB 3.32Å; I1305-L1308 PolarHBondContact O-N 3.12Å; I1305-L1309 HydrophobicContact CG2-CD1 4.01Å; I1305-L1309 HydrophobicContact CG2-CG 4.4Å; I1305-L1309 WeakPolarHBondContact O-CB 3.2Å; I1305-L1309 VanDerWaalsContact O-CG 3.27Å; I1305-L1309 WeakPolarHBondContact O-CG 3.38Å; I1305-L1309 PolarHBondContact O-N 3.25Å; I1305-I1389 HydrophobicContact CD1-CD1 3.99Å; I1305-I1389 HydrophobicContact CG1-CD1 4.46Å |
| 1306 | M | 53.7 | Low | 48.4 | Very low | 38.4 Ų | 38.4 | 69.9 Ų | 69.9 | 19% | 0.189 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.2 | -35.5 | 172.9 | -78.1 | -60.9 | -107.7 | 0 | 0 | 112.4 | Y1302 H1303 L1308 L1309 N1310 K1323 L1326 Y1387 | Y1302-M1306 HydrophobicContact CD1-CG 4.15Å; Y1302-M1306 HydrophobicContact CD2-CE 4.2Å; Y1302-M1306 HydrophobicContact CD2-CG 4.37Å; Y1302-M1306 HydrophobicContact CE1-CB 4.31Å; Y1302-M1306 HydrophobicContact CE1-CG 3.82Å; Y1302-M1306 HydrophobicContact CE2-CE 3.79Å; Y1302-M1306 VanDerWaalsContact CE2-CE 3.41Å; Y1302-M1306 HydrophobicContact CE2-CG 4.02Å; Y1302-M1306 HydrophobicContact CG-CG 4.45Å; Y1302-M1306 VanDerWaalsContact CZ-CG 3.4Å; Y1302-M1306 VanDerWaalsContact O-CB 3.25Å; Y1302-M1306 WeakPolarHBondContact O-CB 3.16Å; Y1302-M1306 VanDerWaalsContact O-CG 3.26Å; Y1302-M1306 WeakPolarHBondContact O-CG 3.28Å; Y1302-M1306 PolarHBondContact O-N 3.18Å; Y1302-M1306 WeakPolarHBondContact OH-CE 3.43Å; H1303-M1306 PolarHBondContact O-N 3.21Å; M1306-L1308 VanDerWaalsContact C-N 3.35Å; M1306-L1308 PolarHBondContact O-N 2.91Å; M1306-L1309 PolarHBondContact O-N 3.02Å; M1306-L1309 HydrophobicContact SD-CB 4.42Å; M1306-L1309 HydrophobicContact SD-CD1 4.05Å; M1306-N1310 VanDerWaalsContact O-CB 3.25Å; M1306-N1310 WeakPolarHBondContact O-CB 3.37Å; M1306-N1310 VanDerWaalsContact O-CG 3.27Å; M1306-N1310 PolarHBondContact O-N 3.24Å; M1306-N1310 PolarHBondContact O-ND2 3.2Å; M1306-N1310 VanDerWaalsContact O-ND2 3.09Å; M1306-N1310 PolarHBondContact O-OD1 3.47Å; M1306-K1323 HydrophobicContact CE-CG 4.29Å; M1306-L1326 HydrophobicContact CE-CD1 4.04Å; M1306-L1326 HydrophobicContact SD-CD1 3.74Å; M1306-L1326 VanDerWaalsContact SD-CD1 3.55Å; M1306-Y1387 WeakPolarHBondContact CE-OH 3.39Å |
| 1307 | Q | 52.8 | Low | 48.4 | Very low | 78.8 Ų | 78.8 | 73.3 Ų | 73.3 | 37% | 0.368 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 167.9 | -78.7 | 179.3 | -38.8 | 0 | 0 | 110.9 | H1303 S1304 L1309 N1310 C1311 Q1470 | H1303-Q1307 PolarHBondContact CD2-NE2 2.87Å; H1303-Q1307 VanDerWaalsContact CD2-NE2 3.3Å; H1303-Q1307 VanDerWaalsContact CE1-CD 3.44Å; H1303-Q1307 PolarHBondContact CE1-NE2 3.49Å; H1303-Q1307 VanDerWaalsContact CE1-NE2 3.33Å; H1303-Q1307 PolarHBondContact CE1-OE1 3.07Å; H1303-Q1307 VanDerWaalsContact CE1-OE1 3.32Å; H1303-Q1307 VanDerWaalsContact ND1-CD 3.35Å; H1303-Q1307 PolarHBondContact ND1-OE1 3.14Å; H1303-Q1307 PolarHBondContact NE2-NE2 2.89Å; H1303-Q1307 VanDerWaalsContact O-CB 3.24Å; H1303-Q1307 WeakPolarHBondContact O-CB 3.22Å; H1303-Q1307 VanDerWaalsContact O-CG 3.26Å; H1303-Q1307 WeakPolarHBondContact O-CG 3.23Å; H1303-Q1307 PolarHBondContact O-N 3.16Å; H1303-Q1307 PolarHBondContact O-OE1 3.06Å; S1304-Q1307 PolarHBondContact O-N 3.33Å; Q1307-L1309 VanDerWaalsContact C-N 3.32Å; Q1307-L1309 PolarHBondContact O-N 3.2Å; Q1307-N1310 CarbonylContact O-C 3.45Å; Q1307-N1310 PolarHBondContact O-N 3.03Å; Q1307-N1310 VanDerWaalsContact O-N 3.12Å; Q1307-C1311 WeakPolarHBondContact O-CB 3.35Å; Q1307-C1311 PolarHBondContact O-N 3.06Å; Q1307-C1311 PolarHBondContact O-SG 3.14Å; Q1307-Q1470 PolarHBondContact NE2-O 3.19Å |
| 1308 | L | 50.2 | Low | 48.4 | Very low | 28.8 Ų | 28.8 | 68.1 Ų | 68.1 | 15% | 0.151 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 176.2 | -149.9 | 79.4 | 0 | 0 | 0 | 112 | L1286 S1304 I1305 M1306 N1310 C1311 M1312 I1389 Y1393 W1474 | L1286-L1308 HydrophobicContact CD1-CD2 3.8Å; L1286-L1308 HydrophobicContact CD1-CG 4.34Å; L1286-L1308 HydrophobicContact CD2-CD2 3.99Å; S1304-L1308 WeakPolarHBondContact O-CB 3.25Å; S1304-L1308 WeakPolarHBondContact O-CD1 3.25Å; S1304-L1308 PolarHBondContact O-N 3.19Å; S1304-L1308 VanDerWaalsContact O-N 3.15Å; I1305-L1308 CarbonylContact O-C 3.54Å; I1305-L1308 WeakPolarHBondContact O-CA 3.31Å; I1305-L1308 VanDerWaalsContact O-CB 3.32Å; I1305-L1308 WeakPolarHBondContact O-CB 3.32Å; I1305-L1308 PolarHBondContact O-N 3.12Å; M1306-L1308 VanDerWaalsContact C-N 3.35Å; M1306-L1308 PolarHBondContact O-N 2.91Å; L1308-N1310 PolarHBondContact O-N 3.05Å; L1308-C1311 CarbonylContact O-C 3.08Å; L1308-C1311 WeakPolarHBondContact O-CB 3.32Å; L1308-C1311 PolarHBondContact O-N 3Å; L1308-C1311 VanDerWaalsContact O-N 3.13Å; L1308-M1312 HydrophobicContact CD1-CE 4.06Å; L1308-M1312 HydrophobicContact CD2-CE 4.33Å; L1308-M1312 HydrophobicContact CG-CE 4.19Å; L1308-M1312 WeakPolarHBondContact O-CG 3.21Å; L1308-M1312 PolarHBondContact O-N 2.96Å; L1308-M1312 VanDerWaalsContact O-N 3.08Å; L1308-I1389 HydrophobicContact CD2-CG2 3.69Å; L1308-Y1393 HydrophobicContact CD1-CD1 4.44Å; L1308-Y1393 HydrophobicContact CD1-CD2 3.77Å; L1308-Y1393 VanDerWaalsContact CD1-CD2 3.46Å; L1308-Y1393 HydrophobicContact CD1-CE2 3.82Å; L1308-Y1393 HydrophobicContact CD1-CG 4.03Å; L1308-Y1393 HydrophobicContact CD2-CD2 4.08Å; L1308-Y1393 HydrophobicContact CD2-CE2 4.39Å; L1308-Y1393 HydrophobicContact CG-CD2 3.87Å; L1308-Y1393 VanDerWaalsContact CG-CD2 3.47Å; L1308-Y1393 HydrophobicContact CG-CE2 3.95Å; L1308-Y1393 HydrophobicContact CG-CG 4.35Å; L1308-W1474 HydrophobicContact CD1-CH2 4.13Å |
| 1309 | L | 51.4 | Low | 48.7 | Very low | 19.2 Ų | 19.2 | 67 Ų | 67 | 10% | 0.101 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 178.2 | -75 | 167.3 | 0 | 0 | 0 | 112.8 | I1283 L1286 L1287 I1305 M1306 Q1307 C1311 M1312 L1314 I1322 L1326 | I1283-L1309 HydrophobicContact CG2-CD2 4.43Å; L1286-L1309 HydrophobicContact CB-CD2 4.39Å; L1286-L1309 HydrophobicContact CD1-CD2 4.26Å; L1286-L1309 HydrophobicContact CD2-CD2 4.02Å; L1286-L1309 VanDerWaalsContact CD2-CD2 3.49Å; L1286-L1309 HydrophobicContact CG-CD2 4.38Å; L1287-L1309 HydrophobicContact CD2-CD1 4.12Å; I1305-L1309 HydrophobicContact CG2-CD1 4.01Å; I1305-L1309 HydrophobicContact CG2-CG 4.4Å; I1305-L1309 WeakPolarHBondContact O-CB 3.2Å; I1305-L1309 VanDerWaalsContact O-CG 3.27Å; I1305-L1309 WeakPolarHBondContact O-CG 3.38Å; I1305-L1309 PolarHBondContact O-N 3.25Å; M1306-L1309 PolarHBondContact O-N 3.02Å; M1306-L1309 HydrophobicContact SD-CB 4.42Å; M1306-L1309 HydrophobicContact SD-CD1 4.05Å; Q1307-L1309 VanDerWaalsContact C-N 3.32Å; Q1307-L1309 PolarHBondContact O-N 3.2Å; L1309-C1311 VanDerWaalsContact C-N 3.33Å; L1309-C1311 PolarHBondContact O-N 3.35Å; L1309-M1312 HydrophobicContact CD2-SD 4.4Å; L1309-M1312 WeakPolarHBondContact O-CB 3.41Å; L1309-M1312 PolarHBondContact O-N 3.38Å; L1309-M1312 VanDerWaalsContact O-N 3.1Å; L1309-L1314 HydrophobicContact CD2-CD1 4.35Å; L1309-I1322 HydrophobicContact CD1-CG2 4.04Å; L1309-I1322 HydrophobicContact CD2-CD1 4.25Å; L1309-I1322 HydrophobicContact CD2-CG2 4.24Å; L1309-L1326 HydrophobicContact CD1-CD1 4.17Å |
| 1310 | N | 49.7 | Very low | 49.2 | Very low | 105.8 Ų | 105.8 | 69.4 Ų | 69.4 | 57% | 0.566 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -71.5 | -24.5 | 174.3 | -71.6 | -25 | 0 | 0 | 0 | 112.4 | M1306 Q1307 L1308 M1312 K1323 | M1306-N1310 VanDerWaalsContact O-CB 3.25Å; M1306-N1310 WeakPolarHBondContact O-CB 3.37Å; M1306-N1310 VanDerWaalsContact O-CG 3.27Å; M1306-N1310 PolarHBondContact O-N 3.24Å; M1306-N1310 PolarHBondContact O-ND2 3.2Å; M1306-N1310 VanDerWaalsContact O-ND2 3.09Å; M1306-N1310 PolarHBondContact O-OD1 3.47Å; Q1307-N1310 CarbonylContact O-C 3.45Å; Q1307-N1310 PolarHBondContact O-N 3.03Å; Q1307-N1310 VanDerWaalsContact O-N 3.12Å; L1308-N1310 PolarHBondContact O-N 3.05Å; N1310-M1312 PolarHBondContact O-N 3.2Å; N1310-K1323 VanDerWaalsContact OD1-CE 3.25Å; N1310-K1323 WeakPolarHBondContact OD1-CE 3.4Å; N1310-K1323 PolarHBondContact OD1-NZ 3.49Å |
| 1311 | C | 46.1 | Very low | 49.3 | Very low | 61.4 Ų | 61.4 | 69.1 Ų | 69.1 | 42% | 0.415 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -83.9 | -7.5 | 173.4 | -67.6 | 0 | 0 | 0 | 0 | 113.5 | Q1307 L1308 L1309 P1313 | Q1307-C1311 WeakPolarHBondContact O-CB 3.35Å; Q1307-C1311 PolarHBondContact O-N 3.06Å; Q1307-C1311 PolarHBondContact O-SG 3.14Å; L1308-C1311 CarbonylContact O-C 3.08Å; L1308-C1311 WeakPolarHBondContact O-CB 3.32Å; L1308-C1311 PolarHBondContact O-N 3Å; L1308-C1311 VanDerWaalsContact O-N 3.13Å; L1309-C1311 VanDerWaalsContact C-N 3.33Å; L1309-C1311 PolarHBondContact O-N 3.35Å; C1311-P1313 WeakPolarHBondContact O-CD 3.48Å |
| 1312 | M | 42.9 | Very low | 49.4 | Very low | 33.8 Ų | 33.8 | 69.8 Ų | 69.8 | 17% | 0.167 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -85.5 | 139.6 | 175.5 | -70.6 | -168.4 | 173.9 | 0 | 0 | 111.6 | I1283 L1286 L1308 L1309 N1310 L1314 Y1393 M1396 | I1283-M1312 HydrophobicContact CG1-SD 4.29Å; L1286-M1312 HydrophobicContact CD1-CE 3.77Å; L1286-M1312 HydrophobicContact CD1-SD 4.14Å; L1286-M1312 VanDerWaalsContact CD1-SD 3.56Å; L1286-M1312 HydrophobicContact CD2-CE 3.82Å; L1286-M1312 HydrophobicContact CD2-SD 3.82Å; L1286-M1312 HydrophobicContact CG-SD 4.26Å; L1308-M1312 HydrophobicContact CD1-CE 4.06Å; L1308-M1312 HydrophobicContact CD2-CE 4.33Å; L1308-M1312 HydrophobicContact CG-CE 4.19Å; L1308-M1312 WeakPolarHBondContact O-CG 3.21Å; L1308-M1312 PolarHBondContact O-N 2.96Å; L1308-M1312 VanDerWaalsContact O-N 3.08Å; L1309-M1312 HydrophobicContact CD2-SD 4.4Å; L1309-M1312 WeakPolarHBondContact O-CB 3.41Å; L1309-M1312 PolarHBondContact O-N 3.38Å; L1309-M1312 VanDerWaalsContact O-N 3.1Å; N1310-M1312 PolarHBondContact O-N 3.2Å; M1312-L1314 VanDerWaalsContact C-N 3.32Å; M1312-L1314 HydrophobicContact CB-CD1 3.84Å; M1312-L1314 HydrophobicContact CB-CG 3.81Å; M1312-L1314 HydrophobicContact CG-CD1 4.45Å; M1312-L1314 PolarHBondContact O-N 2.86Å; M1312-L1314 HydrophobicContact SD-CD1 4.09Å; M1312-L1314 HydrophobicContact SD-CG 4.49Å; M1312-Y1393 HydrophobicContact CE-CD2 3.65Å; M1312-Y1393 HydrophobicContact CE-CE2 3.84Å; M1312-Y1393 HydrophobicContact CG-CD2 4.47Å; M1312-Y1393 HydrophobicContact CG-CE2 4.02Å; M1312-M1396 HydrophobicContact CE-SD 4.38Å |
| 1313 | P | 39.9 | Very low | 49.4 | Very low | 96.4 Ų | 96.4 | 71 Ų | 71 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | trans | -70 | 75.7 | 174.7 | 20.2 | -23.1 | 0 | 0 | 0 | 112.4 | L1166 V1168 F1169 C1311 H1315 L1401 | L1166-P1313 HydrophobicContact CD2-CB 3.44Å; L1166-P1313 VanDerWaalsContact CD2-CB 3.44Å; L1166-P1313 HydrophobicContact CD2-CG 4.34Å; V1168-P1313 HydrophobicContact CB-CB 3.81Å; V1168-P1313 HydrophobicContact CG2-CB 3.54Å; V1168-P1313 PolarHBondContact N-O 3.23Å; F1169-P1313 HydrophobicContact CD2-CB 4.37Å; F1169-P1313 HydrophobicContact CE2-CB 3.96Å; F1169-P1313 HydrophobicContact CE2-CG 3.84Å; C1311-P1313 WeakPolarHBondContact O-CD 3.48Å; P1313-H1315 PolarHBondContact O-N 2.94Å; P1313-L1401 HydrophobicContact CB-CD1 4.33Å; P1313-L1401 HydrophobicContact CG-CD1 3.77Å | ||
| 1314 | L | 44.3 | Very low | 49.7 | Very low | 55.6 Ų | 55.6 | 69.5 Ų | 69.5 | 29% | 0.291 | 35% | 0.347 | S | S | . | . | trans | -90.1 | 128.5 | -179.8 | -71 | 166.6 | 0 | 0 | 0 | 110.9 | L1166 L1286 L1309 M1312 K1316 L1318 I1319 I1322 | L1166-L1314 VanDerWaalsContact CB-C 3.48Å; L1166-L1314 WeakPolarHBondContact CB-O 3.16Å; L1166-L1314 WeakPolarHBondContact CD1-O 3.3Å; L1286-L1314 HydrophobicContact CD1-CD1 4.31Å; L1286-L1314 HydrophobicContact CD1-CD2 4.27Å; L1309-L1314 HydrophobicContact CD2-CD1 4.35Å; M1312-L1314 VanDerWaalsContact C-N 3.32Å; M1312-L1314 HydrophobicContact CB-CD1 3.84Å; M1312-L1314 HydrophobicContact CB-CG 3.81Å; M1312-L1314 HydrophobicContact CG-CD1 4.45Å; M1312-L1314 PolarHBondContact O-N 2.86Å; M1312-L1314 HydrophobicContact SD-CD1 4.09Å; M1312-L1314 HydrophobicContact SD-CG 4.49Å; L1314-K1316 PolarHBondContact O-N 2.98Å; L1314-L1318 HydrophobicContact CB-CD2 4.23Å; L1314-L1318 HydrophobicContact CD1-CD2 4.23Å; L1314-L1318 HydrophobicContact CD2-CD2 3.89Å; L1314-L1318 HydrophobicContact CG-CD2 4.32Å; L1314-I1319 HydrophobicContact CB-CD1 4.21Å; L1314-I1319 HydrophobicContact CB-CG1 3.93Å; L1314-I1319 HydrophobicContact CD2-CG1 4.23Å; L1314-I1319 VanDerWaalsContact O-CD1 3.27Å; L1314-I1319 WeakPolarHBondContact O-CD1 3.22Å; L1314-I1322 HydrophobicContact CD1-CD1 4.38Å | ||
| 1315 | H | 45.4 | Very low | 49.7 | Very low | 86.8 Ų | 86.8 | 68.5 Ų | 68.5 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | trans | -64.2 | 141.7 | -176.8 | -168.2 | -103.4 | 0 | 0 | 0 | 112.2 | Y1165 L1166 K1167 D1280 I1283 P1313 K1317 L1318 I1319 | Y1165-H1315 CarbonylContact O-C 3.15Å; Y1165-H1315 WeakPolarHBondContact O-CA 3.46Å; Y1165-H1315 PolarHBondContact O-ND1 3.37Å; L1166-H1315 VanDerWaalsContact N-CG 3.33Å; L1166-H1315 PolarHBondContact N-ND1 2.91Å; K1167-H1315 HydrophobicContact CB-CB 3.85Å; D1280-H1315 IonicContact OD1-CE1 3.52Å; D1280-H1315 PolarHBondContact OD1-CE1 2.79Å; D1280-H1315 IonicContact OD1-CG 2.7Å; D1280-H1315 IonicContact OD1-ND1 3.39Å; D1280-H1315 PolarHBondContact OD1-ND1 3.4Å; I1283-H1315 HydrophobicContact CD1-CB 3.7Å; P1313-H1315 PolarHBondContact O-N 2.94Å; H1315-K1317 WeakPolarHBondContact ND1-CB 3.5Å; H1315-K1317 PolarHBondContact ND1-N 3.13Å; H1315-K1317 PolarHBondContact O-N 3.09Å; H1315-K1317 VanDerWaalsContact O-N 3.11Å; H1315-L1318 HydrophobicContact CB-CB 4.1Å; H1315-L1318 CarbonylContact O-C 3.39Å; H1315-L1318 WeakPolarHBondContact O-CA 3.28Å; H1315-L1318 WeakPolarHBondContact O-CB 3.43Å; H1315-L1318 PolarHBondContact O-N 3.24Å; H1315-I1319 WeakPolarHBondContact O-CG1 3.23Å; H1315-I1319 PolarHBondContact O-N 3.1Å | ||
| 1316 | K | 51.1 | Low | 49.4 | Very low | 155.8 Ų | 155.8 | 69.8 Ų | 69.8 | 68% | 0.677 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -53.5 | -36.2 | -179 | -72.9 | -175 | 177.4 | 176.6 | 0 | 113.6 | S1163 Y1164 Y1165 L1314 L1318 I1319 K1320 | S1163-K1316 VanDerWaalsContact OG-CD 3.31Å; S1163-K1316 WeakPolarHBondContact OG-CD 3.21Å; S1163-K1316 PolarHBondContact OG-NZ 3.46Å; Y1164-K1316 VanDerWaalsContact CB-CD 3.47Å; Y1164-K1316 VanDerWaalsContact CB-CE 3.45Å; Y1164-K1316 WeakPolarHBondContact O-CB 3.27Å; Y1165-K1316 PolarHBondContact O-N 3.1Å; L1314-K1316 PolarHBondContact O-N 2.98Å; K1316-L1318 VanDerWaalsContact C-N 3.34Å; K1316-L1318 PolarHBondContact O-N 3.46Å; K1316-L1318 VanDerWaalsContact O-N 3.17Å; K1316-I1319 PolarHBondContact O-N 3.44Å; K1316-K1320 VanDerWaalsContact O-CB 3.27Å; K1316-K1320 WeakPolarHBondContact O-CB 3.35Å; K1316-K1320 PolarHBondContact O-N 3.1Å |
| 1317 | K | 47.5 | Very low | 49.3 | Very low | 129.4 Ų | 129.4 | 72.4 Ų | 72.4 | 56% | 0.563 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.5 | -34.3 | 173.5 | -72 | -170.9 | -177.3 | 172.1 | 0 | 113 | D1224 I1227 D1228 D1280 H1315 K1320 F1321 | D1224-K1317 WeakPolarHBondContact OD1-CE 2.76Å; D1224-K1317 IonicContact OD1-NZ 3.07Å; D1224-K1317 PolarHBondContact OD1-NZ 3.44Å; I1227-K1317 HydrophobicContact CD1-CB 4.02Å; I1227-K1317 HydrophobicContact CD1-CD 4.16Å; I1227-K1317 HydrophobicContact CG2-CB 4.4Å; I1227-K1317 HydrophobicContact CG2-CD 3.84Å; D1228-K1317 IonicContact OD1-NZ 2.81Å; D1228-K1317 PolarHBondContact OD1-NZ 3.02Å; D1280-K1317 HydrophobicContact CB-CD 3.98Å; D1280-K1317 VanDerWaalsContact CG-NZ 3.27Å; D1280-K1317 WeakPolarHBondContact OD1-CB 3.46Å; D1280-K1317 VanDerWaalsContact OD1-CD 3.29Å; D1280-K1317 WeakPolarHBondContact OD1-CD 3.31Å; D1280-K1317 VanDerWaalsContact OD1-CG 3.25Å; D1280-K1317 WeakPolarHBondContact OD1-CG 3.15Å; D1280-K1317 WeakPolarHBondContact OD2-CD 3.48Å; D1280-K1317 WeakPolarHBondContact OD2-CE 3.43Å; D1280-K1317 IonicContact OD2-NZ 3.36Å; D1280-K1317 PolarHBondContact OD2-NZ 3.19Å; H1315-K1317 WeakPolarHBondContact ND1-CB 3.5Å; H1315-K1317 PolarHBondContact ND1-N 3.13Å; H1315-K1317 PolarHBondContact O-N 3.09Å; H1315-K1317 VanDerWaalsContact O-N 3.11Å; K1317-K1320 PolarHBondContact O-N 3.03Å; K1317-F1321 VanDerWaalsContact O-CB 3.3Å; K1317-F1321 WeakPolarHBondContact O-CB 3.37Å; K1317-F1321 PolarHBondContact O-N 3.12Å |
| 1318 | L | 47.5 | Very low | 49.2 | Very low | 35 Ų | 35 | 75.2 Ų | 75.2 | 18% | 0.183 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -76.2 | -39.6 | 177.4 | -163.6 | 93.2 | 0 | 0 | 0 | 111.6 | I1283 L1287 L1314 H1315 K1316 K1320 F1321 I1322 | I1283-L1318 HydrophobicContact CD1-CD1 3.9Å; I1283-L1318 HydrophobicContact CD1-CD2 3.96Å; I1283-L1318 HydrophobicContact CG1-CD1 4.03Å; I1283-L1318 HydrophobicContact CG1-CD2 4.31Å; I1283-L1318 HydrophobicContact CG2-CD1 4.27Å; I1283-L1318 HydrophobicContact CG2-CD2 4.2Å; L1287-L1318 HydrophobicContact CD1-CD1 4.41Å; L1314-L1318 HydrophobicContact CB-CD2 4.23Å; L1314-L1318 HydrophobicContact CD1-CD2 4.23Å; L1314-L1318 HydrophobicContact CD2-CD2 3.89Å; L1314-L1318 HydrophobicContact CG-CD2 4.32Å; H1315-L1318 HydrophobicContact CB-CB 4.1Å; H1315-L1318 CarbonylContact O-C 3.39Å; H1315-L1318 WeakPolarHBondContact O-CA 3.28Å; H1315-L1318 WeakPolarHBondContact O-CB 3.43Å; H1315-L1318 PolarHBondContact O-N 3.24Å; K1316-L1318 VanDerWaalsContact C-N 3.34Å; K1316-L1318 PolarHBondContact O-N 3.46Å; K1316-L1318 VanDerWaalsContact O-N 3.17Å; L1318-K1320 VanDerWaalsContact C-N 3.29Å; L1318-K1320 PolarHBondContact O-N 3.2Å; L1318-F1321 CarbonylContact O-C 3Å; L1318-F1321 WeakPolarHBondContact O-CB 3.11Å; L1318-F1321 PolarHBondContact O-N 3.23Å; L1318-F1321 VanDerWaalsContact O-N 3.16Å; L1318-I1322 HydrophobicContact CD2-CD1 4.11Å; L1318-I1322 HydrophobicContact CD2-CG1 4.08Å; L1318-I1322 HydrophobicContact CG-CD1 4.21Å; L1318-I1322 WeakPolarHBondContact O-CB 3.33Å; L1318-I1322 VanDerWaalsContact O-CG1 3.27Å; L1318-I1322 WeakPolarHBondContact O-CG1 3.3Å; L1318-I1322 PolarHBondContact O-N 3.28Å |
| 1319 | I | 51.3 | Low | 48.9 | Very low | 52.4 Ų | 52.4 | 77.3 Ų | 77.3 | 27% | 0.269 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 171 | -63.6 | 173.9 | 0 | 0 | 0 | 110 | L1314 H1315 K1316 I1322 K1323 | L1314-I1319 HydrophobicContact CB-CD1 4.21Å; L1314-I1319 HydrophobicContact CB-CG1 3.93Å; L1314-I1319 HydrophobicContact CD2-CG1 4.23Å; L1314-I1319 VanDerWaalsContact O-CD1 3.27Å; L1314-I1319 WeakPolarHBondContact O-CD1 3.22Å; H1315-I1319 WeakPolarHBondContact O-CG1 3.23Å; H1315-I1319 PolarHBondContact O-N 3.1Å; K1316-I1319 PolarHBondContact O-N 3.44Å; I1319-I1322 PolarHBondContact O-N 3.37Å; I1319-K1323 HydrophobicContact CG2-CD 4.31Å; I1319-K1323 WeakPolarHBondContact O-CB 3.35Å; I1319-K1323 VanDerWaalsContact O-CG 3.22Å; I1319-K1323 WeakPolarHBondContact O-CG 3.31Å; I1319-K1323 PolarHBondContact O-N 3.08Å |
| 1320 | K | 57.9 | Low | 48.4 | Very low | 126.8 Ų | 126.8 | 79.5 Ų | 79.5 | 55% | 0.551 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.8 | -45.6 | 173.3 | -169.8 | 177.8 | 177.1 | -167.3 | 0 | 111.7 | K1316 K1317 L1318 I1322 K1323 D1324 | K1316-K1320 VanDerWaalsContact O-CB 3.27Å; K1316-K1320 WeakPolarHBondContact O-CB 3.35Å; K1316-K1320 PolarHBondContact O-N 3.1Å; K1317-K1320 PolarHBondContact O-N 3.03Å; L1318-K1320 VanDerWaalsContact C-N 3.29Å; L1318-K1320 PolarHBondContact O-N 3.2Å; K1320-I1322 VanDerWaalsContact C-N 3.29Å; K1320-I1322 PolarHBondContact O-N 3.27Å; K1320-K1323 CarbonylContact O-C 3.57Å; K1320-K1323 WeakPolarHBondContact O-CA 3.09Å; K1320-K1323 WeakPolarHBondContact O-CB 3.25Å; K1320-K1323 PolarHBondContact O-N 3.23Å; K1320-K1323 VanDerWaalsContact O-N 3.11Å; K1320-D1324 VanDerWaalsContact CE-CG 3.48Å; K1320-D1324 WeakPolarHBondContact CE-OD1 3.44Å; K1320-D1324 VanDerWaalsContact CE-OD2 3.28Å; K1320-D1324 WeakPolarHBondContact CE-OD2 3.44Å; K1320-D1324 WeakPolarHBondContact CG-OD1 3.35Å; K1320-D1324 VanDerWaalsContact CG-OD2 3.3Å; K1320-D1324 WeakPolarHBondContact CG-OD2 3.42Å; K1320-D1324 IonicContact NZ-OD1 2.71Å; K1320-D1324 IonicContact NZ-OD2 3.11Å; K1320-D1324 PolarHBondContact NZ-OD2 3.03Å; K1320-D1324 VanDerWaalsContact O-CB 3.28Å; K1320-D1324 WeakPolarHBondContact O-CB 3.31Å; K1320-D1324 VanDerWaalsContact O-CG 3.27Å; K1320-D1324 PolarHBondContact O-N 3.25Å |
| 1321 | F | 51 | Low | 48 | Very low | 92.6 Ų | 92.6 | 78.9 Ų | 78.9 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 175.5 | 179.9 | -98.2 | 0 | 0 | 0 | 112.4 | F1231 E1234 L1287 K1317 L1318 K1323 D1324 S1325 | F1231-F1321 HydrophobicContact CE2-CD2 4.05Å; E1234-F1321 WeakPolarHBondContact OE2-CE2 3.14Å; E1234-F1321 WeakPolarHBondContact OE2-CZ 3.21Å; L1287-F1321 HydrophobicContact CD1-CD1 4.32Å; L1287-F1321 HydrophobicContact CD1-CE1 4.45Å; L1287-F1321 HydrophobicContact CD1-CG 4.43Å; L1287-F1321 HydrophobicContact CD2-CE1 4.45Å; K1317-F1321 VanDerWaalsContact O-CB 3.3Å; K1317-F1321 WeakPolarHBondContact O-CB 3.37Å; K1317-F1321 PolarHBondContact O-N 3.12Å; L1318-F1321 CarbonylContact O-C 3Å; L1318-F1321 WeakPolarHBondContact O-CB 3.11Å; L1318-F1321 PolarHBondContact O-N 3.23Å; L1318-F1321 VanDerWaalsContact O-N 3.16Å; F1321-K1323 VanDerWaalsContact C-N 3.3Å; F1321-K1323 PolarHBondContact O-N 2.93Å; F1321-D1324 PolarHBondContact O-N 3.17Å; F1321-S1325 WeakPolarHBondContact CE1-OG 3.5Å; F1321-S1325 WeakPolarHBondContact CZ-OG 3.2Å; F1321-S1325 WeakPolarHBondContact O-CA 3.33Å; F1321-S1325 VanDerWaalsContact O-CB 3.23Å; F1321-S1325 WeakPolarHBondContact O-CB 3.35Å; F1321-S1325 PolarHBondContact O-N 2.91Å; F1321-S1325 PolarHBondContact O-OG 3.23Å |
| 1322 | I | 50.1 | Low | 47.9 | Very low | 32.6 Ų | 32.6 | 83.4 Ų | 83.4 | 17% | 0.167 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.9 | -68.8 | 166.8 | 0 | 0 | 0 | 110.6 | I1283 L1287 L1309 L1314 L1318 I1319 K1320 S1325 L1326 | I1283-I1322 HydrophobicContact CG2-CD1 4.47Å; L1287-I1322 HydrophobicContact CD2-CG1 4.25Å; L1287-I1322 HydrophobicContact CD2-CG2 3.93Å; L1309-I1322 HydrophobicContact CD1-CG2 4.04Å; L1309-I1322 HydrophobicContact CD2-CD1 4.25Å; L1309-I1322 HydrophobicContact CD2-CG2 4.24Å; L1314-I1322 HydrophobicContact CD1-CD1 4.38Å; L1318-I1322 HydrophobicContact CD2-CD1 4.11Å; L1318-I1322 HydrophobicContact CD2-CG1 4.08Å; L1318-I1322 HydrophobicContact CG-CD1 4.21Å; L1318-I1322 WeakPolarHBondContact O-CB 3.33Å; L1318-I1322 VanDerWaalsContact O-CG1 3.27Å; L1318-I1322 WeakPolarHBondContact O-CG1 3.3Å; L1318-I1322 PolarHBondContact O-N 3.28Å; I1319-I1322 PolarHBondContact O-N 3.37Å; K1320-I1322 VanDerWaalsContact C-N 3.29Å; K1320-I1322 PolarHBondContact O-N 3.27Å; I1322-S1325 PolarHBondContact O-N 3.46Å; I1322-L1326 HydrophobicContact CG2-CD1 3.96Å; I1322-L1326 HydrophobicContact CG2-CG 4.39Å; I1322-L1326 VanDerWaalsContact O-CB 3.28Å; I1322-L1326 WeakPolarHBondContact O-CB 3.25Å; I1322-L1326 WeakPolarHBondContact O-CD1 3.4Å; I1322-L1326 VanDerWaalsContact O-CG 3.22Å; I1322-L1326 WeakPolarHBondContact O-CG 3.28Å; I1322-L1326 PolarHBondContact O-N 3.23Å |
| 1323 | K | 52.1 | Low | 47.8 | Very low | 104.6 Ų | 104.6 | 88.3 Ų | 88.3 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 173.9 | -77.5 | -180 | 177.2 | -176.7 | 0 | 112.4 | M1306 N1310 I1319 K1320 F1321 S1325 L1326 I1327 | M1306-K1323 HydrophobicContact CE-CG 4.29Å; N1310-K1323 VanDerWaalsContact OD1-CE 3.25Å; N1310-K1323 WeakPolarHBondContact OD1-CE 3.4Å; N1310-K1323 PolarHBondContact OD1-NZ 3.49Å; I1319-K1323 HydrophobicContact CG2-CD 4.31Å; I1319-K1323 WeakPolarHBondContact O-CB 3.35Å; I1319-K1323 VanDerWaalsContact O-CG 3.22Å; I1319-K1323 WeakPolarHBondContact O-CG 3.31Å; I1319-K1323 PolarHBondContact O-N 3.08Å; K1320-K1323 CarbonylContact O-C 3.57Å; K1320-K1323 WeakPolarHBondContact O-CA 3.09Å; K1320-K1323 WeakPolarHBondContact O-CB 3.25Å; K1320-K1323 PolarHBondContact O-N 3.23Å; K1320-K1323 VanDerWaalsContact O-N 3.11Å; F1321-K1323 VanDerWaalsContact C-N 3.3Å; F1321-K1323 PolarHBondContact O-N 2.93Å; K1323-S1325 VanDerWaalsContact C-N 3.31Å; K1323-S1325 PolarHBondContact O-N 3.1Å; K1323-L1326 CarbonylContact O-C 3.54Å; K1323-L1326 WeakPolarHBondContact O-CB 3.03Å; K1323-L1326 PolarHBondContact O-N 3.2Å; K1323-I1327 WeakPolarHBondContact O-CB 3.31Å; K1323-I1327 WeakPolarHBondContact O-CD1 3.36Å; K1323-I1327 VanDerWaalsContact O-CG1 3.29Å; K1323-I1327 WeakPolarHBondContact O-CG1 3.41Å; K1323-I1327 PolarHBondContact O-N 3.4Å |
| 1324 | D | 57.6 | Low | 47.6 | Very low | 65.4 Ų | 65.4 | 89.2 Ų | 89.2 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.1 | -36.7 | -177.5 | -65.8 | -6.2 | 0 | 0 | 0 | 110.8 | K1320 F1321 I1327 Q1328 | K1320-D1324 VanDerWaalsContact CE-CG 3.48Å; K1320-D1324 WeakPolarHBondContact CE-OD1 3.44Å; K1320-D1324 VanDerWaalsContact CE-OD2 3.28Å; K1320-D1324 WeakPolarHBondContact CE-OD2 3.44Å; K1320-D1324 WeakPolarHBondContact CG-OD1 3.35Å; K1320-D1324 VanDerWaalsContact CG-OD2 3.3Å; K1320-D1324 WeakPolarHBondContact CG-OD2 3.42Å; K1320-D1324 IonicContact NZ-OD1 2.71Å; K1320-D1324 IonicContact NZ-OD2 3.11Å; K1320-D1324 PolarHBondContact NZ-OD2 3.03Å; K1320-D1324 VanDerWaalsContact O-CB 3.28Å; K1320-D1324 WeakPolarHBondContact O-CB 3.31Å; K1320-D1324 VanDerWaalsContact O-CG 3.27Å; K1320-D1324 PolarHBondContact O-N 3.25Å; F1321-D1324 PolarHBondContact O-N 3.17Å; D1324-I1327 CarbonylContact O-C 3.27Å; D1324-I1327 PolarHBondContact O-N 3.22Å; D1324-Q1328 WeakPolarHBondContact O-CB 3.33Å; D1324-Q1328 WeakPolarHBondContact O-CG 3.24Å; D1324-Q1328 PolarHBondContact O-N 3.19Å; D1324-Q1328 VanDerWaalsContact O-N 3.08Å |
| 1325 | S | 49.5 | Very low | 47.4 | Very low | 25.8 Ų | 25.8 | 92.7 Ų | 92.7 | 18% | 0.18 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 171.5 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | F1321 I1322 K1323 I1327 Q1328 L1329 E1384 | F1321-S1325 WeakPolarHBondContact CE1-OG 3.5Å; F1321-S1325 WeakPolarHBondContact CZ-OG 3.2Å; F1321-S1325 WeakPolarHBondContact O-CA 3.33Å; F1321-S1325 VanDerWaalsContact O-CB 3.23Å; F1321-S1325 WeakPolarHBondContact O-CB 3.35Å; F1321-S1325 PolarHBondContact O-N 2.91Å; F1321-S1325 PolarHBondContact O-OG 3.23Å; I1322-S1325 PolarHBondContact O-N 3.46Å; K1323-S1325 VanDerWaalsContact C-N 3.31Å; K1323-S1325 PolarHBondContact O-N 3.1Å; S1325-I1327 VanDerWaalsContact C-N 3.34Å; S1325-I1327 PolarHBondContact O-N 3.19Å; S1325-Q1328 PolarHBondContact O-N 3.12Å; S1325-L1329 WeakPolarHBondContact O-CA 3.25Å; S1325-L1329 VanDerWaalsContact O-CB 3.29Å; S1325-L1329 WeakPolarHBondContact O-CB 3.32Å; S1325-L1329 WeakPolarHBondContact O-CD1 3.44Å; S1325-L1329 WeakPolarHBondContact O-CG 3.49Å; S1325-L1329 PolarHBondContact O-N 3.24Å; S1325-L1329 VanDerWaalsContact O-N 3.12Å; S1325-E1384 PolarHBondContact OG-OE1 3.09Å |
| 1326 | L | 45.9 | Very low | 47.1 | Very low | 41.4 Ų | 41.4 | 95.6 Ų | 95.6 | 22% | 0.217 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 172.1 | -79.2 | 167.1 | 0 | 0 | 0 | 111.6 | L1294 Y1302 M1306 L1309 I1322 K1323 L1329 V1330 T1388 | L1294-L1326 HydrophobicContact CD1-CD2 3.59Å; L1294-L1326 VanDerWaalsContact CD1-CD2 3.48Å; L1294-L1326 HydrophobicContact CD2-CD2 3.92Å; L1294-L1326 HydrophobicContact CG-CD2 3.9Å; Y1302-L1326 HydrophobicContact CE2-CD1 4.38Å; Y1302-L1326 HydrophobicContact CE2-CD2 4.38Å; M1306-L1326 HydrophobicContact CE-CD1 4.04Å; M1306-L1326 HydrophobicContact SD-CD1 3.74Å; M1306-L1326 VanDerWaalsContact SD-CD1 3.55Å; L1309-L1326 HydrophobicContact CD1-CD1 4.17Å; I1322-L1326 HydrophobicContact CG2-CD1 3.96Å; I1322-L1326 HydrophobicContact CG2-CG 4.39Å; I1322-L1326 VanDerWaalsContact O-CB 3.28Å; I1322-L1326 WeakPolarHBondContact O-CB 3.25Å; I1322-L1326 WeakPolarHBondContact O-CD1 3.4Å; I1322-L1326 VanDerWaalsContact O-CG 3.22Å; I1322-L1326 WeakPolarHBondContact O-CG 3.28Å; I1322-L1326 PolarHBondContact O-N 3.23Å; K1323-L1326 CarbonylContact O-C 3.54Å; K1323-L1326 WeakPolarHBondContact O-CB 3.03Å; K1323-L1326 PolarHBondContact O-N 3.2Å; L1326-L1329 PolarHBondContact O-N 3.15Å; L1326-V1330 WeakPolarHBondContact O-CB 3.37Å; L1326-V1330 VanDerWaalsContact O-CG2 3.27Å; L1326-V1330 WeakPolarHBondContact O-CG2 3.3Å; L1326-V1330 PolarHBondContact O-N 3.34Å; L1326-V1330 VanDerWaalsContact O-N 3.09Å; L1326-T1388 HydrophobicContact CD2-CG2 3.98Å |
| 1327 | I | 50.3 | Low | 46.3 | Very low | 92.6 Ų | 92.6 | 97.9 Ų | 97.9 | 48% | 0.475 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.1 | -48.9 | 176.6 | -68.9 | 162.7 | 0 | 0 | 0 | 110.5 | K1323 D1324 S1325 L1329 V1330 D1331 | K1323-I1327 WeakPolarHBondContact O-CB 3.31Å; K1323-I1327 WeakPolarHBondContact O-CD1 3.36Å; K1323-I1327 VanDerWaalsContact O-CG1 3.29Å; K1323-I1327 WeakPolarHBondContact O-CG1 3.41Å; K1323-I1327 PolarHBondContact O-N 3.4Å; D1324-I1327 CarbonylContact O-C 3.27Å; D1324-I1327 PolarHBondContact O-N 3.22Å; S1325-I1327 VanDerWaalsContact C-N 3.34Å; S1325-I1327 PolarHBondContact O-N 3.19Å; I1327-L1329 VanDerWaalsContact C-N 3.28Å; I1327-L1329 PolarHBondContact O-N 3.11Å; I1327-V1330 CarbonylContact O-C 3.54Å; I1327-V1330 WeakPolarHBondContact O-CB 3.12Å; I1327-V1330 WeakPolarHBondContact O-CG2 3.21Å; I1327-V1330 PolarHBondContact O-N 3.02Å; I1327-V1330 VanDerWaalsContact O-N 3.09Å; I1327-D1331 VanDerWaalsContact CG2-OD2 3.23Å; I1327-D1331 WeakPolarHBondContact CG2-OD2 3.37Å; I1327-D1331 WeakPolarHBondContact O-CB 3.36Å; I1327-D1331 PolarHBondContact O-N 3.19Å |
| 1328 | Q | 51.7 | Low | 45.6 | Very low | 137.2 Ų | 137.2 | 96.5 Ų | 96.5 | 64% | 0.641 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.7 | -33.7 | 178.3 | -75 | -174.1 | 2.8 | 0 | 0 | 113.5 | D1324 S1325 V1330 D1331 K1332 | D1324-Q1328 WeakPolarHBondContact O-CB 3.33Å; D1324-Q1328 WeakPolarHBondContact O-CG 3.24Å; D1324-Q1328 PolarHBondContact O-N 3.19Å; D1324-Q1328 VanDerWaalsContact O-N 3.08Å; S1325-Q1328 PolarHBondContact O-N 3.12Å; Q1328-V1330 VanDerWaalsContact C-N 3.3Å; Q1328-V1330 PolarHBondContact O-N 3.01Å; Q1328-D1331 PolarHBondContact O-N 3.15Å; Q1328-K1332 VanDerWaalsContact O-CB 3.24Å; Q1328-K1332 WeakPolarHBondContact O-CB 3.35Å; Q1328-K1332 PolarHBondContact O-N 3.32Å; Q1328-K1332 VanDerWaalsContact O-N 3.13Å |
| 1329 | L | 44 | Very low | 45 | Very low | 72.4 Ų | 72.4 | 101 Ų | 101 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.9 | -21.7 | 177.3 | -128.5 | 145.6 | 0 | 0 | 0 | 112.8 | R1291 L1294 S1325 L1326 I1327 K1333 E1384 | R1291-L1329 HydrophobicContact CG-CD1 4.34Å; L1294-L1329 HydrophobicContact CD1-CB 3.67Å; L1294-L1329 HydrophobicContact CD1-CD1 3.93Å; L1294-L1329 HydrophobicContact CD1-CD2 4.29Å; L1294-L1329 HydrophobicContact CD1-CG 4.34Å; L1294-L1329 HydrophobicContact CD2-CB 4.32Å; S1325-L1329 WeakPolarHBondContact O-CA 3.25Å; S1325-L1329 VanDerWaalsContact O-CB 3.29Å; S1325-L1329 WeakPolarHBondContact O-CB 3.32Å; S1325-L1329 WeakPolarHBondContact O-CD1 3.44Å; S1325-L1329 WeakPolarHBondContact O-CG 3.49Å; S1325-L1329 PolarHBondContact O-N 3.24Å; S1325-L1329 VanDerWaalsContact O-N 3.12Å; L1326-L1329 PolarHBondContact O-N 3.15Å; I1327-L1329 VanDerWaalsContact C-N 3.28Å; I1327-L1329 PolarHBondContact O-N 3.11Å; L1329-K1333 WeakPolarHBondContact O-CB 3.33Å; L1329-K1333 WeakPolarHBondContact O-CG 3.47Å; L1329-K1333 PolarHBondContact O-N 3.38Å; L1329-K1333 VanDerWaalsContact O-N 3.12Å; L1329-E1384 HydrophobicContact CD1-CB 3.77Å |
| 1330 | V | 40.8 | Very low | 44.1 | Very low | 65.6 Ų | 65.6 | 105.8 Ų | 105.8 | 40% | 0.398 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.9 | -45.2 | 169.7 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | L1294 L1326 I1327 Q1328 K1332 K1333 I1334 F1352 L1498 | L1294-V1330 HydrophobicContact CD2-CG2 3.79Å; L1294-V1330 VanDerWaalsContact CD2-CG2 3.49Å; L1326-V1330 WeakPolarHBondContact O-CB 3.37Å; L1326-V1330 VanDerWaalsContact O-CG2 3.27Å; L1326-V1330 WeakPolarHBondContact O-CG2 3.3Å; L1326-V1330 PolarHBondContact O-N 3.34Å; L1326-V1330 VanDerWaalsContact O-N 3.09Å; I1327-V1330 CarbonylContact O-C 3.54Å; I1327-V1330 WeakPolarHBondContact O-CB 3.12Å; I1327-V1330 WeakPolarHBondContact O-CG2 3.21Å; I1327-V1330 PolarHBondContact O-N 3.02Å; I1327-V1330 VanDerWaalsContact O-N 3.09Å; Q1328-V1330 VanDerWaalsContact C-N 3.3Å; Q1328-V1330 PolarHBondContact O-N 3.01Å; V1330-K1332 VanDerWaalsContact C-N 3.28Å; V1330-K1332 PolarHBondContact O-N 3.21Å; V1330-K1333 CarbonylContact O-C 3.56Å; V1330-K1333 WeakPolarHBondContact O-CA 3.4Å; V1330-K1333 WeakPolarHBondContact O-CB 3.27Å; V1330-K1333 PolarHBondContact O-N 3.14Å; V1330-K1333 VanDerWaalsContact O-N 3.09Å; V1330-I1334 HydrophobicContact CG1-CD1 3.72Å; V1330-I1334 HydrophobicContact CG1-CG1 4.31Å; V1330-I1334 WeakPolarHBondContact O-CG1 3.42Å; V1330-I1334 PolarHBondContact O-N 3.2Å; V1330-F1352 HydrophobicContact CG2-CE1 3.97Å; V1330-F1352 HydrophobicContact CG2-CZ 4.46Å; V1330-L1498 HydrophobicContact CG2-CD1 4.48Å |
| 1331 | D | 40.7 | Very low | 42.8 | Very low | 94.2 Ų | 94.2 | 108 Ų | 108 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.3 | -43.8 | -176.1 | -71.5 | -23.5 | 0 | 0 | 0 | 112.6 | I1327 Q1328 K1333 I1334 I1335 | I1327-D1331 VanDerWaalsContact CG2-OD2 3.23Å; I1327-D1331 WeakPolarHBondContact CG2-OD2 3.37Å; I1327-D1331 WeakPolarHBondContact O-CB 3.36Å; I1327-D1331 PolarHBondContact O-N 3.19Å; Q1328-D1331 PolarHBondContact O-N 3.15Å; D1331-K1333 VanDerWaalsContact C-N 3.3Å; D1331-K1333 PolarHBondContact O-N 3.19Å; D1331-I1334 WeakPolarHBondContact O-CD1 3.29Å; D1331-I1334 PolarHBondContact O-N 3.23Å; D1331-I1335 WeakPolarHBondContact O-CB 3.26Å; D1331-I1335 WeakPolarHBondContact O-CD1 3.41Å; D1331-I1335 WeakPolarHBondContact O-CG1 3.22Å; D1331-I1335 PolarHBondContact O-N 3Å |
| 1332 | K | 43.5 | Very low | 41.7 | Very low | 155 Ų | 155 | 108.3 Ų | 108.3 | 67% | 0.674 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.6 | -17.6 | -176.6 | -139.6 | 177.7 | 179.8 | 179.6 | 0 | 114.2 | Q1328 V1330 I1334 I1335 E1336 | Q1328-K1332 VanDerWaalsContact O-CB 3.24Å; Q1328-K1332 WeakPolarHBondContact O-CB 3.35Å; Q1328-K1332 PolarHBondContact O-N 3.32Å; Q1328-K1332 VanDerWaalsContact O-N 3.13Å; V1330-K1332 VanDerWaalsContact C-N 3.28Å; V1330-K1332 PolarHBondContact O-N 3.21Å; K1332-I1334 PolarHBondContact O-N 2.82Å; K1332-I1335 PolarHBondContact O-N 3.23Å; K1332-E1336 WeakPolarHBondContact CE-OE1 3.31Å; K1332-E1336 WeakPolarHBondContact O-CB 3.27Å; K1332-E1336 VanDerWaalsContact O-CG 3.32Å; K1332-E1336 WeakPolarHBondContact O-CG 3.33Å; K1332-E1336 PolarHBondContact O-N 3.24Å; K1332-E1336 VanDerWaalsContact O-N 3.15Å |
| 1333 | K | 41.2 | Very low | 40.8 | Very low | 136.6 Ų | 136.6 | 112.4 Ų | 112.4 | 59% | 0.594 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -0.9 | -177.9 | -97.1 | -169.6 | 176.6 | -173.1 | 0 | 114.8 | L1329 V1330 D1331 R1337 N1370 | L1329-K1333 WeakPolarHBondContact O-CB 3.33Å; L1329-K1333 WeakPolarHBondContact O-CG 3.47Å; L1329-K1333 PolarHBondContact O-N 3.38Å; L1329-K1333 VanDerWaalsContact O-N 3.12Å; V1330-K1333 CarbonylContact O-C 3.56Å; V1330-K1333 WeakPolarHBondContact O-CA 3.4Å; V1330-K1333 WeakPolarHBondContact O-CB 3.27Å; V1330-K1333 PolarHBondContact O-N 3.14Å; V1330-K1333 VanDerWaalsContact O-N 3.09Å; D1331-K1333 VanDerWaalsContact C-N 3.3Å; D1331-K1333 PolarHBondContact O-N 3.19Å; K1333-R1337 WeakPolarHBondContact O-CB 3.35Å; K1333-R1337 WeakPolarHBondContact O-CD 3.06Å; K1333-R1337 WeakPolarHBondContact O-CG 3.23Å; K1333-R1337 PolarHBondContact O-N 3.26Å; K1333-N1370 PolarHBondContact NZ-OD1 3.09Å |
| 1334 | I | 36.8 | Very low | 39.7 | Very low | 115.2 Ų | 115.2 | 114.6 Ų | 114.6 | 59% | 0.591 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -86.9 | -29.5 | -176.1 | -67.1 | 172.8 | 0 | 0 | 0 | 112.2 | V1330 D1331 K1332 E1336 R1337 C1338 | V1330-I1334 HydrophobicContact CG1-CD1 3.72Å; V1330-I1334 HydrophobicContact CG1-CG1 4.31Å; V1330-I1334 WeakPolarHBondContact O-CG1 3.42Å; V1330-I1334 PolarHBondContact O-N 3.2Å; D1331-I1334 WeakPolarHBondContact O-CD1 3.29Å; D1331-I1334 PolarHBondContact O-N 3.23Å; K1332-I1334 PolarHBondContact O-N 2.82Å; I1334-E1336 PolarHBondContact O-N 3.13Å; I1334-R1337 PolarHBondContact O-N 3.15Å; I1334-R1337 VanDerWaalsContact O-N 3.13Å; I1334-C1338 PolarHBondContact O-N 2.99Å; I1334-C1338 PolarHBondContact O-SG 3.44Å |
| 1335 | I | 39.3 | Very low | 38.5 | Very low | 129.8 Ų | 129.8 | 115.8 Ų | 115.8 | 67% | 0.666 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -91.4 | -22.8 | -168.2 | -62.1 | 172.2 | 0 | 0 | 0 | 113.7 | D1331 K1332 R1337 C1338 | D1331-I1335 WeakPolarHBondContact O-CB 3.26Å; D1331-I1335 WeakPolarHBondContact O-CD1 3.41Å; D1331-I1335 WeakPolarHBondContact O-CG1 3.22Å; D1331-I1335 PolarHBondContact O-N 3Å; K1332-I1335 PolarHBondContact O-N 3.23Å; I1335-R1337 VanDerWaalsContact C-N 3.26Å; I1335-R1337 PolarHBondContact O-N 3.48Å; I1335-C1338 PolarHBondContact O-N 3.41Å |
| 1336 | E | 39 | Very low | 37.5 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 69% | 0.687 | 62% | 0.618 | S | S | * | * | trans | -83.1 | 82.4 | 174.2 | -67.2 | -179.4 | 154 | 0 | 0 | 115.1 | K1332 I1334 | K1332-E1336 WeakPolarHBondContact CE-OE1 3.31Å; K1332-E1336 WeakPolarHBondContact O-CB 3.27Å; K1332-E1336 VanDerWaalsContact O-CG 3.32Å; K1332-E1336 WeakPolarHBondContact O-CG 3.33Å; K1332-E1336 PolarHBondContact O-N 3.24Å; K1332-E1336 VanDerWaalsContact O-N 3.15Å; I1334-E1336 PolarHBondContact O-N 3.13Å | ||
| 1337 | R | 34 | Very low | 36.8 | Very low | 204.2 Ų | 204.2 | 125.2 Ų | 125.2 | 77% | 0.771 | 64% | 0.637 | S | S | * | * | trans | -116.8 | 96.4 | 162.4 | -81.6 | -175.3 | 175.1 | -178.4 | -3 | 113.7 | K1333 I1334 I1335 N1339 E1340 E1344 | K1333-R1337 WeakPolarHBondContact O-CB 3.35Å; K1333-R1337 WeakPolarHBondContact O-CD 3.06Å; K1333-R1337 WeakPolarHBondContact O-CG 3.23Å; K1333-R1337 PolarHBondContact O-N 3.26Å; I1334-R1337 PolarHBondContact O-N 3.15Å; I1334-R1337 VanDerWaalsContact O-N 3.13Å; I1335-R1337 VanDerWaalsContact C-N 3.26Å; I1335-R1337 PolarHBondContact O-N 3.48Å; R1337-N1339 PolarHBondContact O-N 3.34Å; R1337-E1340 PolarHBondContact O-N 2.84Å; R1337-E1344 IonicContact CZ-OE2 2.91Å; R1337-E1344 VanDerWaalsContact CZ-OE2 3.31Å; R1337-E1344 IonicContact NH1-OE2 3.84Å; R1337-E1344 PolarHBondContact NH1-OE2 2.9Å; R1337-E1344 IonicContact NH2-OE2 3.94Å; R1337-E1344 PolarHBondContact NH2-OE2 2.91Å | ||
| 1338 | C | 33.3 | Very low | 35.9 | Very low | 99.2 Ų | 99.2 | 123.9 Ų | 123.9 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | trans | -134.2 | 93 | 170.1 | -84.6 | 0 | 0 | 0 | 0 | 113.3 | I1334 I1335 S1508 | I1334-C1338 PolarHBondContact O-N 2.99Å; I1334-C1338 PolarHBondContact O-SG 3.44Å; I1335-C1338 PolarHBondContact O-N 3.41Å; C1338-S1508 WeakPolarHBondContact O-CA 3.31Å; C1338-S1508 WeakPolarHBondContact O-CB 3.4Å | ||
| 1339 | N | 36 | Very low | 35.3 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | trans | 23.1 | 79.6 | 158.3 | -61.8 | -12.4 | 0 | 0 | 0 | 116.4 | R1337 S1508 L1509 Y1510 | R1337-N1339 PolarHBondContact O-N 3.34Å; N1339-S1508 CarbonylContact O-C 3.24Å; N1339-L1509 CarbonylContact O-C 3.14Å; N1339-L1509 PolarHBondContact O-N 2.94Å; N1339-Y1510 WeakPolarHBondContact O-CB 3.43Å; N1339-Y1510 PolarHBondContact O-N 3.06Å | ||
| 1340 | E | 32.3 | Very low | 34.9 | Very low | 152.4 Ų | 152.4 | 122.7 Ų | 122.7 | 71% | 0.712 | 63% | 0.632 | S | S | * | * | trans | -148.7 | 151.7 | 164.5 | -105.2 | 179.1 | -173.3 | 0 | 0 | 112 | R1337 S1342 S1508 L1509 Y1510 L1542 | R1337-E1340 PolarHBondContact O-N 2.84Å; E1340-S1342 PolarHBondContact O-N 2.88Å; E1340-S1508 CarbonylContact C-O 3.25Å; E1340-S1508 WeakPolarHBondContact CA-O 3.49Å; E1340-S1508 PolarHBondContact N-O 3.03Å; E1340-L1509 VanDerWaalsContact N-C 3.27Å; E1340-L1509 CarbonylContact O-C 3.56Å; E1340-L1509 VanDerWaalsContact O-O 3.06Å; E1340-Y1510 WeakPolarHBondContact O-CA 3.27Å; E1340-Y1510 PolarHBondContact O-N 3.34Å; E1340-L1542 WeakPolarHBondContact OE2-CD1 3.34Å; E1340-L1542 WeakPolarHBondContact OE2-CD2 3.12Å; E1340-L1542 WeakPolarHBondContact OE2-CG 3.03Å | ||
| 1341 | Q | 29.1 | Very low | 34.7 | Very low | 173.8 Ų | 173.8 | 124 Ų | 124 | 81% | 0.812 | 63% | 0.63 | S | S | * | * | trans | -102.7 | 128.6 | -172.4 | -106.2 | 155.3 | 10.9 | 0 | 0 | 112.7 | T1343 S1508 L1509 | Q1341-T1343 WeakPolarHBondContact CA-OG1 3.33Å; Q1341-T1343 PolarHBondContact N-OG1 3.38Å; Q1341-S1508 PolarHBondContact N-O 3.23Å; Q1341-S1508 VanDerWaalsContact N-O 3.12Å; Q1341-L1509 WeakPolarHBondContact O-CB 3.5Å | ||
| 1342 | S | 28.7 | Very low | 34.3 | Very low | 98.4 Ų | 98.4 | 122.9 Ų | 122.9 | 69% | 0.688 | 62% | 0.621 | S | S | * | * | -178.7 | 146.7 | 114.5 | 58.5 | 0 | 0 | 0 | 0 | 114 | E1340 E1344 | E1340-S1342 PolarHBondContact O-N 2.88Å; S1342-E1344 PolarHBondContact O-N 2.89Å | |||
| 1343 | T | 30.1 | Very low | 34 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 72% | 0.724 | 60% | 0.603 | S | S | * | * | trans | 52.2 | 118.6 | 161.2 | 59.4 | 0 | 0 | 0 | 0 | 118.3 | Q1341 S1508 | Q1341-T1343 WeakPolarHBondContact CA-OG1 3.33Å; Q1341-T1343 PolarHBondContact N-OG1 3.38Å; T1343-S1508 WeakPolarHBondContact CG2-O 3.1Å | ||
| 1344 | E | 30.5 | Very low | 33.7 | Very low | 151 Ų | 151 | 115.3 Ų | 115.3 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | -158.1 | 152.3 | 106.9 | -87.1 | -161.2 | 160.5 | 0 | 0 | 112.3 | R1337 S1342 L1346 S1348 Q1349 | R1337-E1344 IonicContact CZ-OE2 2.91Å; R1337-E1344 VanDerWaalsContact CZ-OE2 3.31Å; R1337-E1344 IonicContact NH1-OE2 3.84Å; R1337-E1344 PolarHBondContact NH1-OE2 2.9Å; R1337-E1344 IonicContact NH2-OE2 3.94Å; R1337-E1344 PolarHBondContact NH2-OE2 2.91Å; S1342-E1344 PolarHBondContact O-N 2.89Å; E1344-L1346 PolarHBondContact O-N 3.46Å; E1344-S1348 PolarHBondContact OE2-OG 2.91Å; E1344-Q1349 PolarHBondContact OE2-NE2 2.97Å | |||
| 1345 | P | 31.3 | Very low | 33.6 | Very low | 90.8 Ų | 90.8 | 113.2 Ų | 113.2 | 59% | 0.59 | 58% | 0.579 | S | S | * | * | trans | -92.2 | 157.9 | -173.5 | 33 | -27.5 | 0 | 0 | 0 | 111.3 | L1347 S1348 | P1345-L1347 CarbonylContact O-C 3.59Å; P1345-L1347 PolarHBondContact O-N 3.04Å; P1345-S1348 PolarHBondContact O-N 3.21Å; P1345-S1348 PolarHBondContact O-OG 2.87Å | ||
| 1346 | L | 30.1 | Very low | 33.2 | Very low | 151 Ų | 151 | 111.4 Ų | 111.4 | 79% | 0.791 | 57% | 0.57 | S | S | * | * | trans | -95.9 | 127.6 | 159.7 | -96.7 | 146 | 0 | 0 | 0 | 113.3 | E1344 S1348 Q1349 | E1344-L1346 PolarHBondContact O-N 3.46Å; L1346-S1348 VanDerWaalsContact CB-OG 3.27Å; L1346-S1348 WeakPolarHBondContact CB-OG 3.24Å; L1346-S1348 PolarHBondContact O-N 3.11Å; L1346-Q1349 WeakPolarHBondContact O-CA 3.37Å; L1346-Q1349 WeakPolarHBondContact O-CB 3.48Å; L1346-Q1349 PolarHBondContact O-N 2.89Å | ||
| 1347 | L | 30.2 | Very low | 33.1 | Very low | 114.6 Ų | 114.6 | 106.9 Ų | 106.9 | 60% | 0.6 | 55% | 0.553 | S | S | * | * | trans | -62.1 | 77.2 | 175.8 | -88.5 | 98.5 | 0 | 0 | 0 | 112.7 | P1345 Q1349 T1350 F1352 H1353 | P1345-L1347 CarbonylContact O-C 3.59Å; P1345-L1347 PolarHBondContact O-N 3.04Å; L1347-Q1349 PolarHBondContact O-N 3.47Å; L1347-T1350 WeakPolarHBondContact CD2-OG1 3.42Å; L1347-T1350 HydrophobicContact CG-CG2 4.15Å; L1347-T1350 WeakPolarHBondContact O-CA 3.41Å; L1347-T1350 VanDerWaalsContact O-CB 3.24Å; L1347-T1350 WeakPolarHBondContact O-CB 3.4Å; L1347-T1350 WeakPolarHBondContact O-CG2 3.47Å; L1347-T1350 PolarHBondContact O-N 3.27Å; L1347-T1350 PolarHBondContact O-OG1 3.24Å; L1347-F1352 HydrophobicContact CD2-CB 4.2Å; L1347-F1352 HydrophobicContact CD2-CD1 3.99Å; L1347-F1352 HydrophobicContact CD2-CG 4.49Å; L1347-H1353 HydrophobicContact CB-CB 4.26Å; L1347-H1353 WeakPolarHBondContact O-CB 3.29Å | ||
| 1348 | S | 31.1 | Very low | 33.1 | Very low | 64.8 Ų | 64.8 | 102.3 Ų | 102.3 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | trans | -99.8 | 155.5 | 148.6 | 67.2 | 0 | 0 | 0 | 0 | 112 | N1278 E1344 P1345 L1346 T1350 | N1278-S1348 WeakPolarHBondContact ND2-CB 3.43Å; E1344-S1348 PolarHBondContact OE2-OG 2.91Å; P1345-S1348 PolarHBondContact O-N 3.21Å; P1345-S1348 PolarHBondContact O-OG 2.87Å; L1346-S1348 VanDerWaalsContact CB-OG 3.27Å; L1346-S1348 WeakPolarHBondContact CB-OG 3.24Å; L1346-S1348 PolarHBondContact O-N 3.11Å; S1348-T1350 PolarHBondContact O-N 2.71Å; S1348-T1350 VanDerWaalsContact O-N 3.12Å | ||
| 1349 | Q | 39 | Very low | 33 | Very low | 120 Ų | 120 | 101.1 Ų | 101.1 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 52.2 | 59.4 | 171.6 | -59.1 | 179 | 20.4 | 0 | 0 | 115.2 | Q1281 E1344 L1346 L1347 W1351 H1354 | Q1281-Q1349 VanDerWaalsContact CD-CG 3.49Å; Q1281-Q1349 HydrophobicContact CG-CG 4.35Å; E1344-Q1349 PolarHBondContact OE2-NE2 2.97Å; L1346-Q1349 WeakPolarHBondContact O-CA 3.37Å; L1346-Q1349 WeakPolarHBondContact O-CB 3.48Å; L1346-Q1349 PolarHBondContact O-N 2.89Å; L1347-Q1349 PolarHBondContact O-N 3.47Å; Q1349-W1351 PolarHBondContact O-N 3.26Å; Q1349-H1354 PolarHBondContact OE1-NE2 3.36Å |
| 1350 | T | 36.8 | Very low | 32.8 | Very low | 63.4 Ų | 63.4 | 100.4 Ų | 100.4 | 39% | 0.389 | 53% | 0.526 | S | S | . | . | trans | -82.5 | 144.7 | 161.8 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | L1347 S1348 F1352 H1353 H1354 K1358 | L1347-T1350 WeakPolarHBondContact CD2-OG1 3.42Å; L1347-T1350 HydrophobicContact CG-CG2 4.15Å; L1347-T1350 WeakPolarHBondContact O-CA 3.41Å; L1347-T1350 VanDerWaalsContact O-CB 3.24Å; L1347-T1350 WeakPolarHBondContact O-CB 3.4Å; L1347-T1350 WeakPolarHBondContact O-CG2 3.47Å; L1347-T1350 PolarHBondContact O-N 3.27Å; L1347-T1350 PolarHBondContact O-OG1 3.24Å; S1348-T1350 PolarHBondContact O-N 2.71Å; S1348-T1350 VanDerWaalsContact O-N 3.12Å; T1350-F1352 HydrophobicContact CG2-CB 3.45Å; T1350-F1352 VanDerWaalsContact CG2-CB 3.45Å; T1350-F1352 HydrophobicContact CG2-CG 4.43Å; T1350-F1352 PolarHBondContact O-N 3.14Å; T1350-F1352 VanDerWaalsContact O-N 3.11Å; T1350-F1352 PolarHBondContact OG1-N 3.4Å; T1350-H1353 WeakPolarHBondContact O-CB 3.44Å; T1350-H1353 PolarHBondContact O-N 3.3Å; T1350-H1353 PolarHBondContact OG1-N 3.31Å; T1350-H1354 PolarHBondContact O-N 3.07Å; T1350-K1358 VanDerWaalsContact O-CD 3.24Å; T1350-K1358 WeakPolarHBondContact O-CD 3.5Å; T1350-K1358 PolarHBondContact O-NZ 3.1Å | ||
| 1351 | W | 35.4 | Very low | 32.7 | Very low | 93.6 Ų | 93.6 | 96.5 Ų | 96.5 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -32 | 168.9 | 92.7 | -45.5 | 0 | 0 | 0 | 111.7 | E1274 F1275 I1276 I1292 L1296 Q1349 H1353 H1354 L1355 T1357 K1358 P1359 F1369 L1385 T1388 I1389 | E1274-W1351 VanDerWaalsContact C-C 3.47Å; E1274-W1351 CarbonylContact C-O 3.6Å; E1274-W1351 VanDerWaalsContact CA-CD2 3.46Å; E1274-W1351 VanDerWaalsContact CA-CZ3 3.42Å; E1274-W1351 HydrophobicContact CB-CB 4.05Å; E1274-W1351 HydrophobicContact CB-CD2 3.65Å; E1274-W1351 HydrophobicContact CB-CE3 2.89Å; E1274-W1351 HydrophobicContact CB-CG 4.2Å; E1274-W1351 HydrophobicContact CB-CH2 4.43Å; E1274-W1351 HydrophobicContact CB-CZ3 3.3Å; E1274-W1351 HydrophobicContact CG-CE3 4.27Å; E1274-W1351 CarbonylContact O-C 3.54Å; E1274-W1351 VanDerWaalsContact O-C 3.32Å; F1275-W1351 VanDerWaalsContact CA-CD2 3.41Å; F1275-W1351 HydrophobicContact CB-CD2 4.35Å; F1275-W1351 HydrophobicContact CB-CG 4.38Å; F1275-W1351 HydrophobicContact CB-CZ2 4.4Å; F1275-W1351 VanDerWaalsContact N-CG 3.28Å; F1275-W1351 PolarHBondContact N-O 2.94Å; F1275-W1351 PolarHBondContact O-NE1 3.23Å; I1276-W1351 HydrophobicContact CB-CB 4.19Å; I1276-W1351 VanDerWaalsContact CB-CD1 3.48Å; I1276-W1351 HydrophobicContact CB-CG 4.16Å; I1276-W1351 VanDerWaalsContact CB-N 3.27Å; I1276-W1351 HydrophobicContact CD1-CB 4.48Å; I1276-W1351 VanDerWaalsContact CD1-N 3.31Å; I1276-W1351 HydrophobicContact CG1-CB 3.57Å; I1276-W1351 HydrophobicContact CG1-CG 3.59Å; I1276-W1351 VanDerWaalsContact N-CB 3.3Å; I1292-W1351 HydrophobicContact CG2-CH2 3.72Å; I1292-W1351 HydrophobicContact CG2-CZ2 3.99Å; L1296-W1351 HydrophobicContact CD1-CH2 4.23Å; L1296-W1351 HydrophobicContact CD2-CH2 3.89Å; L1296-W1351 HydrophobicContact CG-CH2 4.11Å; Q1349-W1351 PolarHBondContact O-N 3.26Å; W1351-H1353 VanDerWaalsContact C-N 3.28Å; W1351-H1353 PolarHBondContact O-N 3Å; W1351-H1354 CarbonylContact O-C 3.44Å; W1351-H1354 WeakPolarHBondContact O-CA 3.38Å; W1351-H1354 WeakPolarHBondContact O-CB 3.24Å; W1351-H1354 PolarHBondContact O-N 3.01Å; W1351-H1354 VanDerWaalsContact O-N 3.11Å; W1351-L1355 HydrophobicContact CD2-CD1 4.12Å; W1351-L1355 VanDerWaalsContact CE2-CD1 3.49Å; W1351-L1355 HydrophobicContact CE3-CD1 4.35Å; W1351-L1355 HydrophobicContact CH2-CD1 3.48Å; W1351-L1355 VanDerWaalsContact CH2-CD1 3.48Å; W1351-L1355 HydrophobicContact CZ2-CB 4.43Å; W1351-L1355 HydrophobicContact CZ2-CD1 3.71Å; W1351-L1355 HydrophobicContact CZ3-CD1 4.06Å; W1351-L1355 HydrophobicContact CZ3-CD2 4.06Å; W1351-L1355 WeakPolarHBondContact O-CB 3.48Å; W1351-L1355 PolarHBondContact O-N 3.23Å; W1351-T1357 VanDerWaalsContact CE2-OG1 3.3Å; W1351-T1357 WeakPolarHBondContact CZ2-OG1 3.22Å; W1351-T1357 PolarHBondContact NE1-OG1 2.65Å; W1351-K1358 HydrophobicContact CB-CB 4.4Å; W1351-K1358 HydrophobicContact CB-CD 3.96Å; W1351-K1358 VanDerWaalsContact CB-CE 3.42Å; W1351-K1358 VanDerWaalsContact CD2-CA 3.44Å; W1351-K1358 VanDerWaalsContact CG-CA 3.47Å; W1351-K1358 HydrophobicContact CG-CB 4.25Å; W1351-K1358 VanDerWaalsContact CG-N 3.34Å; W1351-K1358 VanDerWaalsContact NE1-N 3.1Å; W1351-P1359 HydrophobicContact CE3-CB 3.62Å; W1351-P1359 VanDerWaalsContact CE3-CD 3.41Å; W1351-P1359 HydrophobicContact CE3-CG 3.43Å; W1351-P1359 VanDerWaalsContact CE3-CG 3.43Å; W1351-P1359 HydrophobicContact CH2-CB 4.05Å; W1351-P1359 HydrophobicContact CZ3-CB 3.22Å; W1351-P1359 HydrophobicContact CZ3-CG 3.48Å; W1351-P1359 VanDerWaalsContact CZ3-CG 3.48Å; W1351-F1369 HydrophobicContact CE3-CE1 4.3Å; W1351-F1369 HydrophobicContact CE3-CZ 4.04Å; W1351-F1369 HydrophobicContact CZ3-CE1 4.3Å; W1351-F1369 HydrophobicContact CZ3-CZ 4.35Å; W1351-L1385 HydrophobicContact CH2-CD1 4.23Å; W1351-L1385 HydrophobicContact CZ2-CD1 4.04Å; W1351-T1388 HydrophobicContact CH2-CG2 4.3Å; W1351-I1389 HydrophobicContact CZ2-CD1 4.48Å |
| 1352 | F | 31.9 | Very low | 32.7 | Very low | 70.8 Ų | 70.8 | 90.5 Ų | 90.5 | 31% | 0.311 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -29.9 | 178.1 | -164.1 | -97.9 | 0 | 0 | 0 | 112.2 | F1275 I1276 Y1302 V1330 L1347 T1350 H1354 L1355 L1356 T1388 I1389 | F1275-F1352 CarbonylContact C-O 2.75Å; F1275-F1352 VanDerWaalsContact C-O 3.24Å; F1275-F1352 WeakPolarHBondContact CA-O 3.09Å; I1276-F1352 PolarHBondContact N-O 3.44Å; I1276-F1352 CarbonylContact O-C 3.58Å; I1276-F1352 WeakPolarHBondContact O-CA 3.45Å; I1276-F1352 WeakPolarHBondContact O-CB 3.14Å; I1276-F1352 PolarHBondContact O-N 3Å; Y1302-F1352 HydrophobicContact CE1-CD2 4.35Å; Y1302-F1352 HydrophobicContact CE1-CE2 4.37Å; Y1302-F1352 AromaticContact CZ-CE2 3.93Å; Y1302-F1352 WeakPolarHBondContact OH-CE2 3.5Å; V1330-F1352 HydrophobicContact CG2-CE1 3.97Å; V1330-F1352 HydrophobicContact CG2-CZ 4.46Å; L1347-F1352 HydrophobicContact CD2-CB 4.2Å; L1347-F1352 HydrophobicContact CD2-CD1 3.99Å; L1347-F1352 HydrophobicContact CD2-CG 4.49Å; T1350-F1352 HydrophobicContact CG2-CB 3.45Å; T1350-F1352 VanDerWaalsContact CG2-CB 3.45Å; T1350-F1352 HydrophobicContact CG2-CG 4.43Å; T1350-F1352 PolarHBondContact O-N 3.14Å; T1350-F1352 VanDerWaalsContact O-N 3.11Å; T1350-F1352 PolarHBondContact OG1-N 3.4Å; F1352-H1354 VanDerWaalsContact C-N 3.28Å; F1352-H1354 WeakPolarHBondContact O-CA 3.21Å; F1352-H1354 WeakPolarHBondContact O-CB 3.5Å; F1352-H1354 PolarHBondContact O-N 3.42Å; F1352-L1355 WeakPolarHBondContact O-CB 3.32Å; F1352-L1355 PolarHBondContact O-N 3.07Å; F1352-L1356 HydrophobicContact CD1-CD1 3.78Å; F1352-L1356 HydrophobicContact CD1-CG 4.43Å; F1352-L1356 HydrophobicContact CE1-CD1 3.59Å; F1352-L1356 HydrophobicContact CE1-CG 4.44Å; F1352-L1356 HydrophobicContact CE2-CD1 4.47Å; F1352-L1356 HydrophobicContact CG-CD1 4.45Å; F1352-L1356 HydrophobicContact CZ-CD1 4.12Å; F1352-L1356 WeakPolarHBondContact O-CB 3.09Å; F1352-L1356 VanDerWaalsContact O-CG 3.3Å; F1352-L1356 WeakPolarHBondContact O-CG 3.48Å; F1352-L1356 PolarHBondContact O-N 3.1Å; F1352-L1356 VanDerWaalsContact O-N 3.09Å; F1352-T1388 HydrophobicContact CD2-CG2 4.19Å; F1352-T1388 HydrophobicContact CE2-CG2 3.59Å; F1352-T1388 HydrophobicContact CZ-CG2 4.47Å; F1352-I1389 HydrophobicContact CE2-CD1 4.44Å |
| 1353 | H | 37.8 | Very low | 32.8 | Very low | 61.6 Ų | 61.6 | 89.6 Ų | 89.6 | 29% | 0.285 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.6 | -46.4 | 173.1 | 179.1 | -89.6 | 0 | 0 | 0 | 111.5 | F1275 I1276 F1277 F1285 L1347 T1350 W1351 L1355 L1356 T1357 L1494 | F1275-H1353 CarbonylContact C-O 3.48Å; I1276-H1353 CarbonylContact C-O 3.54Å; I1276-H1353 WeakPolarHBondContact CA-O 3.1Å; I1276-H1353 PolarHBondContact O-N 2.98Å; I1276-H1353 VanDerWaalsContact O-N 3.1Å; F1277-H1353 VanDerWaalsContact CD2-O 3.26Å; F1277-H1353 WeakPolarHBondContact CD2-O 3.12Å; F1277-H1353 HydrophobicContact CE1-CB 4.2Å; F1277-H1353 AromaticContact CE1-CD2 3.53Å; F1277-H1353 VanDerWaalsContact CE2-C 3.43Å; F1277-H1353 WeakPolarHBondContact CE2-O 3.45Å; F1277-H1353 HydrophobicContact CZ-CB 4.4Å; F1277-H1353 AromaticContact CZ-CD2 3.26Å; F1277-H1353 WeakPolarHBondContact CZ-CD2 3.37Å; F1277-H1353 AromaticContact CZ-NE2 3.71Å; F1277-H1353 PolarHBondContact N-O 2.77Å; F1277-H1353 VanDerWaalsContact N-O 3.1Å; F1285-H1353 AromaticContact CE2-CD2 3.87Å; L1347-H1353 HydrophobicContact CB-CB 4.26Å; L1347-H1353 WeakPolarHBondContact O-CB 3.29Å; T1350-H1353 WeakPolarHBondContact O-CB 3.44Å; T1350-H1353 PolarHBondContact O-N 3.3Å; T1350-H1353 PolarHBondContact OG1-N 3.31Å; W1351-H1353 VanDerWaalsContact C-N 3.28Å; W1351-H1353 PolarHBondContact O-N 3Å; H1353-L1355 VanDerWaalsContact C-N 3.33Å; H1353-L1355 PolarHBondContact O-N 3.34Å; H1353-L1355 VanDerWaalsContact O-N 3.13Å; H1353-L1356 PolarHBondContact O-N 3.06Å; H1353-T1357 WeakPolarHBondContact O-CB 3.47Å; H1353-T1357 WeakPolarHBondContact O-CG2 3.34Å; H1353-T1357 PolarHBondContact O-N 3.02Å; H1353-T1357 PolarHBondContact O-OG1 3.21Å; H1353-L1494 WeakPolarHBondContact CE1-CD1 3.25Å; H1353-L1494 WeakPolarHBondContact CE1-CD2 3.15Å |
| 1354 | H | 35.3 | Very low | 32.7 | Very low | 71.2 Ų | 71.2 | 85.8 Ų | 85.8 | 33% | 0.33 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -73.6 | -41.5 | 162.3 | -106.8 | -57 | 0 | 0 | 0 | 113 | F1275 Q1349 T1350 W1351 F1352 L1356 T1357 K1358 L1395 L1490 L1494 | F1275-H1354 HydrophobicContact CB-CB 3.58Å; F1275-H1354 HydrophobicContact CD1-CB 4.19Å; F1275-H1354 AromaticContact CD1-CG 3.99Å; F1275-H1354 AromaticContact CD1-ND1 3.76Å; F1275-H1354 HydrophobicContact CD2-CB 3.51Å; F1275-H1354 AromaticContact CD2-CD2 3.91Å; F1275-H1354 AromaticContact CD2-CG 3.83Å; F1275-H1354 AromaticContact CE1-CE1 3.7Å; F1275-H1354 AromaticContact CE1-ND1 3.92Å; F1275-H1354 AromaticContact CE1-NE2 3.86Å; F1275-H1354 HydrophobicContact CE2-CB 4.19Å; F1275-H1354 AromaticContact CE2-CD2 3.67Å; F1275-H1354 HydrophobicContact CG-CB 3.53Å; F1275-H1354 AromaticContact CG-CG 3.82Å; F1275-H1354 AromaticContact CZ-CD2 3.77Å; F1275-H1354 AromaticContact CZ-NE2 3.68Å; F1275-H1354 CarbonylContact O-C 3.4Å; Q1349-H1354 PolarHBondContact OE1-NE2 3.36Å; T1350-H1354 PolarHBondContact O-N 3.07Å; W1351-H1354 CarbonylContact O-C 3.44Å; W1351-H1354 WeakPolarHBondContact O-CA 3.38Å; W1351-H1354 WeakPolarHBondContact O-CB 3.24Å; W1351-H1354 PolarHBondContact O-N 3.01Å; W1351-H1354 VanDerWaalsContact O-N 3.11Å; F1352-H1354 VanDerWaalsContact C-N 3.28Å; F1352-H1354 WeakPolarHBondContact O-CA 3.21Å; F1352-H1354 WeakPolarHBondContact O-CB 3.5Å; F1352-H1354 PolarHBondContact O-N 3.42Å; H1354-L1356 VanDerWaalsContact C-N 3.31Å; H1354-L1356 PolarHBondContact O-N 3.27Å; H1354-T1357 WeakPolarHBondContact CA-OG1 3.37Å; H1354-T1357 PolarHBondContact O-OG1 3.21Å; H1354-K1358 WeakPolarHBondContact O-CA 3.27Å; H1354-K1358 WeakPolarHBondContact O-CB 3.46Å; H1354-K1358 PolarHBondContact O-N 3.17Å; H1354-K1358 VanDerWaalsContact O-N 3.13Å; H1354-L1395 WeakPolarHBondContact O-CD2 3.15Å; H1354-L1490 WeakPolarHBondContact CE1-CD2 2.94Å; H1354-L1490 VanDerWaalsContact CE1-CG 3.45Å; H1354-L1490 WeakPolarHBondContact CE1-CG 2.87Å; H1354-L1494 WeakPolarHBondContact NE2-CD1 3.24Å |
| 1355 | L | 33.5 | Very low | 32.8 | Very low | 70.4 Ų | 70.4 | 81.4 Ų | 81.4 | 37% | 0.369 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -82.2 | -55.1 | 179.3 | -152.4 | 112.4 | 0 | 0 | 0 | 110.4 | F1275 F1277 F1285 I1292 W1351 F1352 H1353 T1357 L1395 | F1275-L1355 HydrophobicContact CB-CB 4.35Å; F1275-L1355 CarbonylContact O-C 3.03Å; F1275-L1355 WeakPolarHBondContact O-CA 3.17Å; F1275-L1355 VanDerWaalsContact O-CB 3.3Å; F1275-L1355 WeakPolarHBondContact O-CB 3.48Å; F1275-L1355 PolarHBondContact O-N 2.84Å; F1277-L1355 WeakPolarHBondContact CD2-O 3.04Å; F1285-L1355 HydrophobicContact CE2-CD2 4.18Å; I1292-L1355 HydrophobicContact CD1-CD1 3.71Å; I1292-L1355 HydrophobicContact CD1-CD2 3.55Å; I1292-L1355 HydrophobicContact CD1-CG 4.28Å; I1292-L1355 HydrophobicContact CG1-CD1 4.16Å; W1351-L1355 HydrophobicContact CD2-CD1 4.12Å; W1351-L1355 VanDerWaalsContact CE2-CD1 3.49Å; W1351-L1355 HydrophobicContact CE3-CD1 4.35Å; W1351-L1355 HydrophobicContact CH2-CD1 3.48Å; W1351-L1355 VanDerWaalsContact CH2-CD1 3.48Å; W1351-L1355 HydrophobicContact CZ2-CB 4.43Å; W1351-L1355 HydrophobicContact CZ2-CD1 3.71Å; W1351-L1355 HydrophobicContact CZ3-CD1 4.06Å; W1351-L1355 HydrophobicContact CZ3-CD2 4.06Å; W1351-L1355 WeakPolarHBondContact O-CB 3.48Å; W1351-L1355 PolarHBondContact O-N 3.23Å; F1352-L1355 WeakPolarHBondContact O-CB 3.32Å; F1352-L1355 PolarHBondContact O-N 3.07Å; H1353-L1355 VanDerWaalsContact C-N 3.33Å; H1353-L1355 PolarHBondContact O-N 3.34Å; H1353-L1355 VanDerWaalsContact O-N 3.13Å; L1355-T1357 HydrophobicContact CD2-CG2 3.87Å; L1355-T1357 PolarHBondContact O-N 2.69Å; L1355-L1395 CarbonylContact C-O 3.43Å; L1355-L1395 WeakPolarHBondContact CA-O 3.26Å; L1355-L1395 HydrophobicContact CB-CD2 4.1Å; L1355-L1395 HydrophobicContact CD1-CD2 4.28Å; L1355-L1395 HydrophobicContact CG-CD2 3.73Å |
| 1356 | L | 32.5 | Very low | 32.7 | Very low | 91.4 Ų | 91.4 | 82 Ų | 82 | 48% | 0.479 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -87.9 | -18.3 | -179.3 | -83.1 | 160.4 | 0 | 0 | 0 | 115.2 | D1170 F1275 I1276 F1277 R1282 F1352 H1353 H1354 L1395 M1396 | D1170-L1356 WeakPolarHBondContact OD1-CD2 3.35Å; F1275-L1356 PolarHBondContact O-N 2.55Å; I1276-L1356 HydrophobicContact CG2-CD2 3.94Å; I1276-L1356 WeakPolarHBondContact CG2-O 3.48Å; F1277-L1356 HydrophobicContact CB-CD2 3.95Å; F1277-L1356 HydrophobicContact CD2-CD1 4.05Å; F1277-L1356 HydrophobicContact CD2-CD2 4.02Å; F1277-L1356 WeakPolarHBondContact O-CD2 3.44Å; R1282-L1356 HydrophobicContact CG-CD2 4.37Å; F1352-L1356 HydrophobicContact CD1-CD1 3.78Å; F1352-L1356 HydrophobicContact CD1-CG 4.43Å; F1352-L1356 HydrophobicContact CE1-CD1 3.59Å; F1352-L1356 HydrophobicContact CE1-CG 4.44Å; F1352-L1356 HydrophobicContact CE2-CD1 4.47Å; F1352-L1356 HydrophobicContact CG-CD1 4.45Å; F1352-L1356 HydrophobicContact CZ-CD1 4.12Å; F1352-L1356 WeakPolarHBondContact O-CB 3.09Å; F1352-L1356 VanDerWaalsContact O-CG 3.3Å; F1352-L1356 WeakPolarHBondContact O-CG 3.48Å; F1352-L1356 PolarHBondContact O-N 3.1Å; F1352-L1356 VanDerWaalsContact O-N 3.09Å; H1353-L1356 PolarHBondContact O-N 3.06Å; H1354-L1356 VanDerWaalsContact C-N 3.31Å; H1354-L1356 PolarHBondContact O-N 3.27Å; L1356-L1395 VanDerWaalsContact CD1-O 3.26Å; L1356-L1395 WeakPolarHBondContact CD1-O 3.16Å; L1356-M1396 HydrophobicContact CD1-CE 3.74Å; L1356-M1396 WeakPolarHBondContact CD1-O 3.36Å |
| 1357 | T | 35.9 | Very low | 32.7 | Very low | 53.2 Ų | 53.2 | 80.6 Ų | 80.6 | 33% | 0.326 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -110 | -23.2 | -165 | 58.7 | 0 | 0 | 0 | 0 | 115.6 | I1172 E1173 W1351 H1353 H1354 L1355 | I1172-T1357 WeakPolarHBondContact O-CG2 3.35Å; E1173-T1357 HydrophobicContact CB-CG2 4.26Å; E1173-T1357 HydrophobicContact CG-CG2 4.25Å; E1173-T1357 WeakPolarHBondContact OE1-CB 3.27Å; E1173-T1357 PolarHBondContact OE1-OG1 2.95Å; E1173-T1357 VanDerWaalsContact OE2-CB 3.29Å; E1173-T1357 WeakPolarHBondContact OE2-CB 3.19Å; E1173-T1357 PolarHBondContact OE2-OG1 2.64Å; W1351-T1357 VanDerWaalsContact CE2-OG1 3.3Å; W1351-T1357 WeakPolarHBondContact CZ2-OG1 3.22Å; W1351-T1357 PolarHBondContact NE1-OG1 2.65Å; H1353-T1357 WeakPolarHBondContact O-CB 3.47Å; H1353-T1357 WeakPolarHBondContact O-CG2 3.34Å; H1353-T1357 PolarHBondContact O-N 3.02Å; H1353-T1357 PolarHBondContact O-OG1 3.21Å; H1354-T1357 WeakPolarHBondContact CA-OG1 3.37Å; H1354-T1357 PolarHBondContact O-OG1 3.21Å; L1355-T1357 HydrophobicContact CD2-CG2 3.87Å; L1355-T1357 PolarHBondContact O-N 2.69Å |
| 1358 | K | 34.6 | Very low | 32.7 | Very low | 107 Ų | 107 | 80.6 Ų | 80.6 | 47% | 0.465 | 43% | 0.431 | S | S | . | . | trans | -151.1 | 79.9 | 178.4 | -81.5 | 173.9 | -167.7 | -177.6 | 0 | 113.4 | E1173 E1274 I1276 T1350 W1351 H1354 N1360 V1361 | E1173-K1358 VanDerWaalsContact OE2-CA 3.27Å; E1173-K1358 WeakPolarHBondContact OE2-CA 3.47Å; E1173-K1358 PolarHBondContact OE2-N 2.83Å; E1274-K1358 WeakPolarHBondContact OE2-CE 3.24Å; E1274-K1358 IonicContact OE2-NZ 2.79Å; E1274-K1358 PolarHBondContact OE2-NZ 2.73Å; I1276-K1358 HydrophobicContact CD1-CB 3.95Å; I1276-K1358 HydrophobicContact CD1-CD 4.4Å; I1276-K1358 HydrophobicContact CG1-CB 3.89Å; T1350-K1358 VanDerWaalsContact O-CD 3.24Å; T1350-K1358 WeakPolarHBondContact O-CD 3.5Å; T1350-K1358 PolarHBondContact O-NZ 3.1Å; W1351-K1358 HydrophobicContact CB-CB 4.4Å; W1351-K1358 HydrophobicContact CB-CD 3.96Å; W1351-K1358 VanDerWaalsContact CB-CE 3.42Å; W1351-K1358 VanDerWaalsContact CD2-CA 3.44Å; W1351-K1358 VanDerWaalsContact CG-CA 3.47Å; W1351-K1358 HydrophobicContact CG-CB 4.25Å; W1351-K1358 VanDerWaalsContact CG-N 3.34Å; W1351-K1358 VanDerWaalsContact NE1-N 3.1Å; H1354-K1358 WeakPolarHBondContact O-CA 3.27Å; H1354-K1358 WeakPolarHBondContact O-CB 3.46Å; H1354-K1358 PolarHBondContact O-N 3.17Å; H1354-K1358 VanDerWaalsContact O-N 3.13Å; K1358-N1360 VanDerWaalsContact C-N 3.3Å; K1358-N1360 CarbonylContact O-C 3.25Å; K1358-N1360 WeakPolarHBondContact O-CA 3.38Å; K1358-N1360 PolarHBondContact O-N 3.1Å; K1358-N1360 VanDerWaalsContact O-N 3.1Å; K1358-V1361 HydrophobicContact CB-CB 4.15Å; K1358-V1361 HydrophobicContact CB-CG2 4.04Å; K1358-V1361 HydrophobicContact CD-CB 4.39Å; K1358-V1361 HydrophobicContact CD-CG2 4.2Å; K1358-V1361 HydrophobicContact CG-CG2 4.37Å; K1358-V1361 PolarHBondContact O-N 3.12Å; K1358-V1361 VanDerWaalsContact O-N 3.1Å | ||
| 1359 | P | 30.4 | Very low | 32.7 | Very low | 75.2 Ų | 75.2 | 81.8 Ų | 81.8 | 49% | 0.488 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -18.7 | -168.4 | 8.2 | -10.4 | 0 | 0 | 0 | 114.8 | E1173 E1274 W1351 V1361 S1362 | E1173-P1359 WeakPolarHBondContact OE2-CA 3.23Å; E1274-P1359 HydrophobicContact CB-CG 4.34Å; W1351-P1359 HydrophobicContact CE3-CB 3.62Å; W1351-P1359 VanDerWaalsContact CE3-CD 3.41Å; W1351-P1359 HydrophobicContact CE3-CG 3.43Å; W1351-P1359 VanDerWaalsContact CE3-CG 3.43Å; W1351-P1359 HydrophobicContact CH2-CB 4.05Å; W1351-P1359 HydrophobicContact CZ3-CB 3.22Å; W1351-P1359 HydrophobicContact CZ3-CG 3.48Å; W1351-P1359 VanDerWaalsContact CZ3-CG 3.48Å; P1359-V1361 VanDerWaalsContact C-N 3.33Å; P1359-V1361 HydrophobicContact CG-CB 4.42Å; P1359-V1361 PolarHBondContact O-N 2.98Å; P1359-S1362 VanDerWaalsContact O-CB 3.31Å; P1359-S1362 WeakPolarHBondContact O-CB 3.46Å; P1359-S1362 PolarHBondContact O-OG 3.13Å; P1359-S1362 VanDerWaalsContact O-OG 3.11Å |
| 1360 | N | 31.9 | Very low | 32.3 | Very low | 115.4 Ų | 115.4 | 81.1 Ų | 81.1 | 62% | 0.617 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 33.3 | -160.6 | -62.4 | 2.2 | 0 | 0 | 0 | 114.6 | K928 V932 E1173 V1174 K1358 F1366 | K928-N1360 HydrophobicContact CD-CB 3.59Å; K928-N1360 VanDerWaalsContact CE-CB 3.41Å; K928-N1360 WeakPolarHBondContact CE-OD1 3.25Å; K928-N1360 HydrophobicContact CG-CB 4.05Å; K928-N1360 PolarHBondContact NZ-OD1 3.05Å; V932-N1360 HydrophobicContact CB-CB 4.35Å; V932-N1360 HydrophobicContact CG1-CB 4.48Å; V932-N1360 HydrophobicContact CG2-CB 3.1Å; E1173-N1360 PolarHBondContact OE2-N 3.5Å; V1174-N1360 WeakPolarHBondContact CG1-ND2 3.16Å; V1174-N1360 WeakPolarHBondContact CG2-ND2 3.24Å; V1174-N1360 WeakPolarHBondContact CG2-OD1 3.45Å; K1358-N1360 VanDerWaalsContact C-N 3.3Å; K1358-N1360 CarbonylContact O-C 3.25Å; K1358-N1360 WeakPolarHBondContact O-CA 3.38Å; K1358-N1360 PolarHBondContact O-N 3.1Å; K1358-N1360 VanDerWaalsContact O-N 3.1Å; N1360-F1366 HydrophobicContact CB-CE2 4.24Å; N1360-F1366 HydrophobicContact CB-CZ 4.19Å; N1360-F1366 VanDerWaalsContact CG-CZ 3.49Å; N1360-F1366 VanDerWaalsContact OD1-CE2 3.28Å; N1360-F1366 WeakPolarHBondContact OD1-CE2 3.25Å; N1360-F1366 WeakPolarHBondContact OD1-CZ 3.13Å |
| 1361 | V | 30.9 | Very low | 32 | Very low | 70.6 Ų | 70.6 | 83.3 Ų | 83.3 | 43% | 0.428 | 44% | 0.438 | S | S | . | . | trans | -124.7 | 40.5 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 111 | K925 K928 R929 K1358 P1359 T1363 | K925-V1361 HydrophobicContact CB-CG1 3.67Å; K925-V1361 HydrophobicContact CG-CG1 3.75Å; K925-V1361 VanDerWaalsContact O-CG1 3.27Å; K925-V1361 WeakPolarHBondContact O-CG1 2.97Å; K928-V1361 HydrophobicContact CB-CB 4.45Å; K928-V1361 HydrophobicContact CB-CG2 3.67Å; K928-V1361 HydrophobicContact CG-CG2 4.23Å; R929-V1361 HydrophobicContact CB-CG2 4.09Å; R929-V1361 HydrophobicContact CG-CB 4.23Å; R929-V1361 HydrophobicContact CG-CG1 4.15Å; R929-V1361 HydrophobicContact CG-CG2 3.24Å; R929-V1361 VanDerWaalsContact N-CG2 3.34Å; K1358-V1361 HydrophobicContact CB-CB 4.15Å; K1358-V1361 HydrophobicContact CB-CG2 4.04Å; K1358-V1361 HydrophobicContact CD-CB 4.39Å; K1358-V1361 HydrophobicContact CD-CG2 4.2Å; K1358-V1361 HydrophobicContact CG-CG2 4.37Å; K1358-V1361 PolarHBondContact O-N 3.12Å; K1358-V1361 VanDerWaalsContact O-N 3.1Å; P1359-V1361 VanDerWaalsContact C-N 3.33Å; P1359-V1361 HydrophobicContact CG-CB 4.42Å; P1359-V1361 PolarHBondContact O-N 2.98Å; V1361-T1363 PolarHBondContact O-N 3.19Å | ||
| 1362 | S | 29 | Very low | 31.7 | Very low | 47.4 Ų | 47.4 | 85.3 Ų | 85.3 | 33% | 0.331 | 45% | 0.449 | S | S | . | . | trans | -86.5 | 29.5 | 172.7 | 68.7 | 0 | 0 | 0 | 0 | 114.7 | K928 P1359 G1364 V1365 F1366 Q1470 | K928-S1362 VanDerWaalsContact CD-CA 3.42Å; K928-S1362 PolarHBondContact NZ-O 3.28Å; P1359-S1362 VanDerWaalsContact O-CB 3.31Å; P1359-S1362 WeakPolarHBondContact O-CB 3.46Å; P1359-S1362 PolarHBondContact O-OG 3.13Å; P1359-S1362 VanDerWaalsContact O-OG 3.11Å; S1362-G1364 VanDerWaalsContact C-N 3.29Å; S1362-G1364 PolarHBondContact O-N 3.29Å; S1362-V1365 PolarHBondContact O-N 3.42Å; S1362-V1365 VanDerWaalsContact O-N 3.16Å; S1362-F1366 WeakPolarHBondContact O-CD2 3.45Å; S1362-F1366 WeakPolarHBondContact O-CE2 3.49Å; S1362-Q1470 PolarHBondContact OG-NE2 3.49Å | ||
| 1363 | T | 30.1 | Very low | 31.8 | Very low | 79.6 Ų | 79.6 | 89.4 Ų | 89.4 | 49% | 0.488 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -97.7 | -41.6 | -171.1 | 42.5 | 0 | 0 | 0 | 0 | 114.9 | L924 K928 V1361 V1365 E1412 N1466 N1469 | L924-T1363 HydrophobicContact CB-CG2 3.65Å; L924-T1363 HydrophobicContact CD2-CG2 4.41Å; L924-T1363 WeakPolarHBondContact O-CG2 3.31Å; K928-T1363 HydrophobicContact CB-CG2 3.95Å; K928-T1363 WeakPolarHBondContact CD-O 3.38Å; K928-T1363 WeakPolarHBondContact CE-O 3.35Å; K928-T1363 PolarHBondContact NZ-O 3.11Å; K928-T1363 VanDerWaalsContact NZ-O 3.15Å; V1361-T1363 PolarHBondContact O-N 3.19Å; T1363-V1365 CarbonylContact C-O 2.75Å; T1363-V1365 WeakPolarHBondContact CA-O 2.97Å; T1363-V1365 WeakPolarHBondContact CB-O 3.45Å; T1363-V1365 HydrophobicContact CG2-CB 3.94Å; T1363-V1365 HydrophobicContact CG2-CG1 3.77Å; T1363-V1365 WeakPolarHBondContact CG2-O 3.44Å; T1363-V1365 PolarHBondContact O-N 3.49Å; T1363-E1412 WeakPolarHBondContact CB-OE1 3.35Å; T1363-E1412 VanDerWaalsContact CG2-OE1 3.24Å; T1363-E1412 WeakPolarHBondContact CG2-OE1 3.39Å; T1363-E1412 WeakPolarHBondContact CG2-OE2 3.27Å; T1363-N1466 HydrophobicContact CG2-CB 3.87Å; T1363-N1466 WeakPolarHBondContact CG2-ND2 3.33Å; T1363-N1466 WeakPolarHBondContact CG2-OD1 3.47Å; T1363-N1466 PolarHBondContact OG1-ND2 3.21Å; T1363-N1469 HydrophobicContact CG2-CB 4.34Å |
| 1364 | G | 29.3 | Very low | 31.5 | Very low | 39.6 Ų | 39.6 | 91.2 Ų | 91.2 | 41% | 0.408 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -90.2 | -25.7 | -173 | 0 | 0 | 0 | 0 | 0 | 116.5 | S1362 F1366 | S1362-G1364 VanDerWaalsContact C-N 3.29Å; S1362-G1364 PolarHBondContact O-N 3.29Å; G1364-F1366 VanDerWaalsContact C-N 3.3Å; G1364-F1366 VanDerWaalsContact CA-CA 3.41Å; G1364-F1366 PolarHBondContact O-N 3.35Å |
| 1365 | V | 30.5 | Very low | 31.3 | Very low | 57.4 Ų | 57.4 | 92.5 Ų | 92.5 | 35% | 0.348 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -30.4 | -157 | -164.3 | 0 | 0 | 0 | 0 | 113.1 | L924 L927 K928 S1362 T1363 H1367 L1368 F1369 | L924-V1365 HydrophobicContact CD2-CB 4.32Å; L924-V1365 HydrophobicContact CD2-CG1 3.54Å; L927-V1365 VanDerWaalsContact C-C 3.45Å; L927-V1365 CarbonylContact C-O 3.59Å; L927-V1365 HydrophobicContact CB-CB 4.2Å; L927-V1365 HydrophobicContact CD2-CB 3.81Å; L927-V1365 HydrophobicContact CD2-CG2 3.25Å; L927-V1365 HydrophobicContact CG-CB 3.78Å; L927-V1365 HydrophobicContact CG-CG2 3.65Å; L927-V1365 CarbonylContact O-C 3.11Å; K928-V1365 VanDerWaalsContact CA-O 3.26Å; K928-V1365 WeakPolarHBondContact CA-O 3.05Å; K928-V1365 VanDerWaalsContact CB-O 3.23Å; K928-V1365 WeakPolarHBondContact CB-O 3.5Å; K928-V1365 PolarHBondContact N-O 3.07Å; K928-V1365 VanDerWaalsContact N-O 3.07Å; S1362-V1365 PolarHBondContact O-N 3.42Å; S1362-V1365 VanDerWaalsContact O-N 3.16Å; T1363-V1365 CarbonylContact C-O 2.75Å; T1363-V1365 WeakPolarHBondContact CA-O 2.97Å; T1363-V1365 WeakPolarHBondContact CB-O 3.45Å; T1363-V1365 HydrophobicContact CG2-CB 3.94Å; T1363-V1365 HydrophobicContact CG2-CG1 3.77Å; T1363-V1365 WeakPolarHBondContact CG2-O 3.44Å; T1363-V1365 PolarHBondContact O-N 3.49Å; V1365-H1367 VanDerWaalsContact C-N 3.33Å; V1365-H1367 WeakPolarHBondContact CG2-O 3.27Å; V1365-H1367 PolarHBondContact O-N 3.05Å; V1365-L1368 HydrophobicContact CG2-CD2 4.18Å; V1365-L1368 HydrophobicContact CG2-CG 4.44Å; V1365-L1368 VanDerWaalsContact N-N 3.19Å; V1365-L1368 VanDerWaalsContact O-CB 3.3Å; V1365-L1368 WeakPolarHBondContact O-CB 3.27Å; V1365-L1368 PolarHBondContact O-N 3.11Å; V1365-L1368 VanDerWaalsContact O-N 3.08Å; V1365-F1369 HydrophobicContact CG1-CE2 4.26Å; V1365-F1369 WeakPolarHBondContact O-CD2 3.25Å; V1365-F1369 WeakPolarHBondContact O-CE2 3.19Å |
| 1366 | F | 29.5 | Very low | 31.2 | Very low | 104.4 Ų | 104.4 | 93.3 Ų | 93.3 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -68.3 | -10.8 | -179 | -81.4 | -91.4 | 0 | 0 | 0 | 114.2 | L927 K928 T931 V932 N935 V1174 A1295 N1360 S1362 G1364 L1368 F1369 | L927-F1366 PolarHBondContact O-N 2.99Å; K928-F1366 HydrophobicContact CD-CD2 3.86Å; K928-F1366 HydrophobicContact CD-CE2 4.05Å; K928-F1366 HydrophobicContact CG-CB 4.04Å; K928-F1366 HydrophobicContact CG-CD2 3.49Å; K928-F1366 VanDerWaalsContact CG-CD2 3.49Å; K928-F1366 HydrophobicContact CG-CE2 4.08Å; K928-F1366 HydrophobicContact CG-CG 3.97Å; T931-F1366 VanDerWaalsContact CB-O 3.3Å; T931-F1366 WeakPolarHBondContact CB-O 3.03Å; T931-F1366 WeakPolarHBondContact CG2-O 3.48Å; T931-F1366 WeakPolarHBondContact O-CB 3.42Å; T931-F1366 WeakPolarHBondContact O-CD1 3.44Å; V932-F1366 HydrophobicContact CB-CD1 4.46Å; V932-F1366 HydrophobicContact CB-CE1 4.29Å; V932-F1366 HydrophobicContact CG2-CD1 3.86Å; V932-F1366 HydrophobicContact CG2-CD2 4.32Å; V932-F1366 HydrophobicContact CG2-CE1 3.63Å; V932-F1366 HydrophobicContact CG2-CE2 4.2Å; V932-F1366 HydrophobicContact CG2-CG 4.11Å; V932-F1366 HydrophobicContact CG2-CZ 3.77Å; N935-F1366 HydrophobicContact CB-CD1 3.56Å; N935-F1366 HydrophobicContact CB-CE1 3.56Å; N935-F1366 WeakPolarHBondContact ND2-CD1 3.39Å; N935-F1366 WeakPolarHBondContact ND2-CE1 3.27Å; V1174-F1366 HydrophobicContact CB-CZ 4.42Å; V1174-F1366 HydrophobicContact CG1-CE1 4.12Å; V1174-F1366 HydrophobicContact CG1-CZ 3.71Å; V1174-F1366 HydrophobicContact CG2-CE2 4.38Å; V1174-F1366 HydrophobicContact CG2-CZ 3.86Å; A1295-F1366 HydrophobicContact CB-CE1 4.41Å; N1360-F1366 HydrophobicContact CB-CE2 4.24Å; N1360-F1366 HydrophobicContact CB-CZ 4.19Å; N1360-F1366 VanDerWaalsContact CG-CZ 3.49Å; N1360-F1366 VanDerWaalsContact OD1-CE2 3.28Å; N1360-F1366 WeakPolarHBondContact OD1-CE2 3.25Å; N1360-F1366 WeakPolarHBondContact OD1-CZ 3.13Å; S1362-F1366 WeakPolarHBondContact O-CD2 3.45Å; S1362-F1366 WeakPolarHBondContact O-CE2 3.49Å; G1364-F1366 VanDerWaalsContact C-N 3.3Å; G1364-F1366 VanDerWaalsContact CA-CA 3.41Å; G1364-F1366 PolarHBondContact O-N 3.35Å; F1366-L1368 VanDerWaalsContact C-N 3.31Å; F1366-L1368 PolarHBondContact O-N 3.03Å; F1366-L1368 VanDerWaalsContact O-N 3.17Å; F1366-F1369 AromaticContact CD1-CD2 3.76Å; F1366-F1369 HydrophobicContact CD1-CD2 3.76Å; F1366-F1369 AromaticContact CD1-CE2 3.9Å; F1366-F1369 HydrophobicContact CD1-CE2 3.9Å; F1366-F1369 HydrophobicContact CE1-CD2 4.23Å; F1366-F1369 AromaticContact CE1-CE2 3.93Å; F1366-F1369 HydrophobicContact CE1-CE2 3.93Å; F1366-F1369 PolarHBondContact O-N 2.85Å |
| 1367 | H | 30.3 | Very low | 31.1 | Very low | 121.8 Ų | 121.8 | 94.6 Ų | 94.6 | 56% | 0.564 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -81.7 | -5.7 | 177.7 | -123.4 | -55 | 0 | 0 | 0 | 111.8 | M867 L927 F930 T931 M934 V1365 F1369 | M867-H1367 WeakPolarHBondContact CG-CD2 3.5Å; M867-H1367 WeakPolarHBondContact CG-CE1 3.48Å; M867-H1367 WeakPolarHBondContact CG-NE2 3.5Å; M867-H1367 PolarHBondContact SD-CE1 3.29Å; L927-H1367 HydrophobicContact CD1-CB 3.33Å; L927-H1367 VanDerWaalsContact CD1-CD2 3.41Å; L927-H1367 WeakPolarHBondContact CD1-CD2 2.96Å; L927-H1367 HydrophobicContact CG-CB 3.67Å; F930-H1367 AromaticContact CD1-CD2 3.61Å; F930-H1367 AromaticContact CD1-CE1 3.92Å; F930-H1367 AromaticContact CD1-NE2 3.14Å; F930-H1367 WeakPolarHBondContact CD1-NE2 3.49Å; F930-H1367 AromaticContact CE1-CE1 3.92Å; F930-H1367 AromaticContact CE1-NE2 3.3Å; F930-H1367 VanDerWaalsContact CE1-NE2 3.3Å; F930-H1367 WeakPolarHBondContact CE1-NE2 3.36Å; T931-H1367 HydrophobicContact CG2-CB 3.31Å; T931-H1367 WeakPolarHBondContact CG2-CD2 3.36Å; T931-H1367 WeakPolarHBondContact CG2-ND1 3.31Å; M934-H1367 PolarHBondContact SD-CE1 3.31Å; V1365-H1367 VanDerWaalsContact C-N 3.33Å; V1365-H1367 WeakPolarHBondContact CG2-O 3.27Å; V1365-H1367 PolarHBondContact O-N 3.05Å; H1367-F1369 VanDerWaalsContact C-CD1 3.48Å; H1367-F1369 VanDerWaalsContact C-N 3.31Å; H1367-F1369 HydrophobicContact CB-CD1 3.87Å; H1367-F1369 HydrophobicContact CB-CE1 3.48Å; H1367-F1369 VanDerWaalsContact CB-CE1 3.48Å; H1367-F1369 HydrophobicContact CB-CZ 4.47Å; H1367-F1369 AromaticContact CD2-CE1 3.99Å; H1367-F1369 AromaticContact CE1-CD1 3.97Å; H1367-F1369 AromaticContact CG-CD1 3.55Å; H1367-F1369 AromaticContact CG-CE1 3.39Å; H1367-F1369 AromaticContact ND1-CD1 3.3Å; H1367-F1369 VanDerWaalsContact ND1-CD1 3.3Å; H1367-F1369 WeakPolarHBondContact ND1-CD1 3.44Å; H1367-F1369 AromaticContact ND1-CE1 3.68Å; H1367-F1369 WeakPolarHBondContact O-CE1 3.49Å; H1367-F1369 WeakPolarHBondContact O-CZ 3.43Å; H1367-F1369 PolarHBondContact O-N 2.98Å |
| 1368 | L | 30.7 | Very low | 30.8 | Very low | 113.4 Ų | 113.4 | 97.8 Ų | 97.8 | 59% | 0.594 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -81.6 | -8.1 | 169.9 | -103.7 | 97.8 | 0 | 0 | 0 | 113.4 | V1365 F1366 | V1365-L1368 HydrophobicContact CG2-CD2 4.18Å; V1365-L1368 HydrophobicContact CG2-CG 4.44Å; V1365-L1368 VanDerWaalsContact N-N 3.19Å; V1365-L1368 VanDerWaalsContact O-CB 3.3Å; V1365-L1368 WeakPolarHBondContact O-CB 3.27Å; V1365-L1368 PolarHBondContact O-N 3.11Å; V1365-L1368 VanDerWaalsContact O-N 3.08Å; F1366-L1368 VanDerWaalsContact C-N 3.31Å; F1366-L1368 PolarHBondContact O-N 3.03Å; F1366-L1368 VanDerWaalsContact O-N 3.17Å |
| 1369 | F | 30.8 | Very low | 30.7 | Very low | 91.4 Ų | 91.4 | 95.6 Ų | 95.6 | 40% | 0.401 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -87.4 | 2.7 | -178.4 | -71.3 | -79.7 | 0 | 0 | 0 | 114.7 | M867 W1351 V1365 F1366 H1367 D1371 I1374 | M867-F1369 HydrophobicContact CB-CD1 4.38Å; M867-F1369 HydrophobicContact CB-CE1 3.72Å; M867-F1369 HydrophobicContact CB-CZ 4.15Å; M867-F1369 HydrophobicContact CE-CB 4.02Å; M867-F1369 HydrophobicContact CE-CD1 3.16Å; M867-F1369 HydrophobicContact CE-CD2 3.98Å; M867-F1369 HydrophobicContact CE-CE1 3.62Å; M867-F1369 HydrophobicContact CE-CE2 4.38Å; M867-F1369 HydrophobicContact CE-CG 3.38Å; M867-F1369 HydrophobicContact CE-CZ 4.21Å; M867-F1369 HydrophobicContact CG-CD1 3.67Å; M867-F1369 HydrophobicContact CG-CE1 3.37Å; M867-F1369 HydrophobicContact CG-CZ 4.28Å; M867-F1369 HydrophobicContact SD-CD1 3.63Å; M867-F1369 HydrophobicContact SD-CE1 3.99Å; M867-F1369 HydrophobicContact SD-CG 4.38Å; W1351-F1369 HydrophobicContact CE3-CE1 4.3Å; W1351-F1369 HydrophobicContact CE3-CZ 4.04Å; W1351-F1369 HydrophobicContact CZ3-CE1 4.3Å; W1351-F1369 HydrophobicContact CZ3-CZ 4.35Å; V1365-F1369 HydrophobicContact CG1-CE2 4.26Å; V1365-F1369 WeakPolarHBondContact O-CD2 3.25Å; V1365-F1369 WeakPolarHBondContact O-CE2 3.19Å; F1366-F1369 AromaticContact CD1-CD2 3.76Å; F1366-F1369 HydrophobicContact CD1-CD2 3.76Å; F1366-F1369 AromaticContact CD1-CE2 3.9Å; F1366-F1369 HydrophobicContact CD1-CE2 3.9Å; F1366-F1369 HydrophobicContact CE1-CD2 4.23Å; F1366-F1369 AromaticContact CE1-CE2 3.93Å; F1366-F1369 HydrophobicContact CE1-CE2 3.93Å; F1366-F1369 PolarHBondContact O-N 2.85Å; H1367-F1369 VanDerWaalsContact C-CD1 3.48Å; H1367-F1369 VanDerWaalsContact C-N 3.31Å; H1367-F1369 HydrophobicContact CB-CD1 3.87Å; H1367-F1369 HydrophobicContact CB-CE1 3.48Å; H1367-F1369 VanDerWaalsContact CB-CE1 3.48Å; H1367-F1369 HydrophobicContact CB-CZ 4.47Å; H1367-F1369 AromaticContact CD2-CE1 3.99Å; H1367-F1369 AromaticContact CE1-CD1 3.97Å; H1367-F1369 AromaticContact CG-CD1 3.55Å; H1367-F1369 AromaticContact CG-CE1 3.39Å; H1367-F1369 AromaticContact ND1-CD1 3.3Å; H1367-F1369 VanDerWaalsContact ND1-CD1 3.3Å; H1367-F1369 WeakPolarHBondContact ND1-CD1 3.44Å; H1367-F1369 AromaticContact ND1-CE1 3.68Å; H1367-F1369 WeakPolarHBondContact O-CE1 3.49Å; H1367-F1369 WeakPolarHBondContact O-CZ 3.43Å; H1367-F1369 PolarHBondContact O-N 2.98Å; F1369-D1371 VanDerWaalsContact C-N 3.35Å; F1369-I1374 HydrophobicContact CD1-CD1 4.05Å; F1369-I1374 HydrophobicContact CE1-CD1 4.3Å |
| 1370 | N | 30.7 | Very low | 30.9 | Very low | 103.8 Ų | 103.8 | 96.1 Ų | 96.1 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -29.4 | -173.2 | -90.4 | 8.7 | 0 | 0 | 0 | 113.4 | M938 C946 K1333 | M938-N1370 HydrophobicContact CE-CB 4.29Å; C946-N1370 VanDerWaalsContact CB-O 3.28Å; C946-N1370 WeakPolarHBondContact CB-O 3.42Å; K1333-N1370 PolarHBondContact NZ-OD1 3.09Å |
| 1371 | D | 30.2 | Very low | 31.2 | Very low | 110.6 Ų | 110.6 | 95.5 Ų | 95.5 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -116.8 | 11.9 | -150.7 | -75.1 | -18 | 0 | 0 | 0 | 116.4 | M934 N935 M938 Y939 F1369 | M934-D1371 WeakPolarHBondContact CB-OD1 3.02Å; M934-D1371 VanDerWaalsContact CE-OD2 3.28Å; M934-D1371 WeakPolarHBondContact CE-OD2 3.4Å; N935-D1371 VanDerWaalsContact OD1-C 3.32Å; N935-D1371 WeakPolarHBondContact OD1-CA 3.16Å; M938-D1371 HydrophobicContact CB-CB 3.8Å; M938-D1371 HydrophobicContact CE-CB 3.85Å; M938-D1371 HydrophobicContact CG-CB 4.15Å; M938-D1371 HydrophobicContact SD-CB 3.76Å; Y939-D1371 WeakPolarHBondContact CB-O 3.12Å; Y939-D1371 PolarHBondContact N-O 2.91Å; F1369-D1371 VanDerWaalsContact C-N 3.35Å |
| 1372 | K | 30.4 | Very low | 31.4 | Very low | 134.6 Ų | 134.6 | 97.2 Ų | 97.2 | 59% | 0.585 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -149.2 | 111.9 | 166.4 | -69.6 | -176.2 | 167.5 | 179.7 | 0 | 117.2 | R933 M934 N935 L936 E937 M938 Y939 I1374 | R933-K1372 WeakPolarHBondContact O-CE 2.92Å; M934-K1372 VanDerWaalsContact CA-CD 3.45Å; M934-K1372 HydrophobicContact CB-CD 3.84Å; M934-K1372 HydrophobicContact CB-CG 4.2Å; M934-K1372 HydrophobicContact CE-CD 3.95Å; M934-K1372 HydrophobicContact CG-CD 4.11Å; M934-K1372 VanDerWaalsContact O-CG 3.31Å; M934-K1372 WeakPolarHBondContact O-CG 3.42Å; N935-K1372 VanDerWaalsContact C-C 3.46Å; N935-K1372 VanDerWaalsContact CA-CA 3.43Å; N935-K1372 CarbonylContact O-C 3.57Å; N935-K1372 PolarHBondContact OD1-N 3.1Å; L936-K1372 CarbonylContact C-O 3.04Å; L936-K1372 VanDerWaalsContact CA-C 3.5Å; L936-K1372 WeakPolarHBondContact CA-O 3.28Å; E937-K1372 VanDerWaalsContact N-CB 3.31Å; E937-K1372 VanDerWaalsContact N-CG 3.35Å; E937-K1372 WeakPolarHBondContact O-CD 3.3Å; E937-K1372 WeakPolarHBondContact O-CE 3.28Å; E937-K1372 PolarHBondContact O-NZ 2.85Å; E937-K1372 WeakPolarHBondContact OE2-CE 3.5Å; E937-K1372 IonicContact OE2-NZ 3.61Å; E937-K1372 PolarHBondContact OE2-NZ 3.33Å; M938-K1372 HydrophobicContact CB-CB 3.89Å; M938-K1372 HydrophobicContact CB-CD 3.6Å; M938-K1372 HydrophobicContact CB-CG 4.2Å; Y939-K1372 VanDerWaalsContact CB-CA 3.49Å; Y939-K1372 WeakPolarHBondContact CB-O 3.14Å; Y939-K1372 PolarHBondContact N-O 3.49Å; K1372-I1374 VanDerWaalsContact C-N 3.34Å; K1372-I1374 PolarHBondContact O-N 3.07Å |
| 1373 | Q | 32.5 | Very low | 31.9 | Very low | 157.2 Ų | 157.2 | 97.8 Ų | 97.8 | 74% | 0.735 | 51% | 0.506 | S | S | * | . | trans | -71.1 | 123.7 | 167.5 | -86.3 | 171 | -51.4 | 0 | 0 | 112.1 | N935 Y939 I940 T1177 N1375 | N935-Q1373 PolarHBondContact O-N 2.69Å; Y939-Q1373 HydrophobicContact CD1-CB 3.86Å; Y939-Q1373 HydrophobicContact CG-CB 4.08Å; I940-Q1373 HydrophobicContact CG1-CB 4.35Å; I940-Q1373 HydrophobicContact CG1-CG 4.38Å; T1177-Q1373 HydrophobicContact CG2-CB 4.45Å; T1177-Q1373 HydrophobicContact CG2-CG 3.97Å; T1177-Q1373 VanDerWaalsContact OG1-CB 3.3Å; T1177-Q1373 WeakPolarHBondContact OG1-CB 3.49Å; T1177-Q1373 PolarHBondContact OG1-O 3.44Å; Q1373-N1375 PolarHBondContact O-N 3.45Å | ||
| 1374 | I | 33 | Very low | 32.3 | Very low | 100 Ų | 100 | 98.9 Ų | 98.9 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | trans | -95.3 | 128.2 | 171.9 | -61.4 | 178.4 | 0 | 0 | 0 | 108.6 | L936 N1175 A1176 F1369 K1372 L1376 H1406 | L936-I1374 HydrophobicContact CD1-CD1 3.41Å; L936-I1374 VanDerWaalsContact CD1-CD1 3.41Å; L936-I1374 HydrophobicContact CD1-CG1 3.9Å; L936-I1374 HydrophobicContact CD2-CD1 4.39Å; L936-I1374 HydrophobicContact CG-CD1 4.04Å; L936-I1374 HydrophobicContact CG-CG1 4.02Å; N1175-I1374 HydrophobicContact CB-CB 4.28Å; N1175-I1374 HydrophobicContact CB-CD1 3.65Å; N1175-I1374 HydrophobicContact CB-CG1 3.73Å; N1175-I1374 HydrophobicContact CB-CG2 3.81Å; A1176-I1374 VanDerWaalsContact CB-CA 3.5Å; A1176-I1374 WeakPolarHBondContact CB-O 3.18Å; F1369-I1374 HydrophobicContact CD1-CD1 4.05Å; F1369-I1374 HydrophobicContact CE1-CD1 4.3Å; K1372-I1374 VanDerWaalsContact C-N 3.34Å; K1372-I1374 PolarHBondContact O-N 3.07Å; I1374-L1376 VanDerWaalsContact C-N 3.35Å; I1374-L1376 HydrophobicContact CG2-CD1 4.13Å; I1374-L1376 PolarHBondContact O-N 3.13Å; I1374-H1406 PolarHBondContact O-CD2 2.86Å | ||
| 1375 | N | 30.4 | Very low | 32.8 | Very low | 99 Ų | 99 | 99.8 Ų | 99.8 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | trans | -72.7 | 0 | -179.9 | -104.2 | 7.4 | 0 | 0 | 0 | 111.7 | N1175 A1176 Q1373 E1377 N1378 V1402 I1478 T1479 | N1175-N1375 PolarHBondContact OD1-ND2 2.74Å; A1176-N1375 VanDerWaalsContact CB-OD1 3.26Å; A1176-N1375 WeakPolarHBondContact CB-OD1 3.14Å; Q1373-N1375 PolarHBondContact O-N 3.45Å; N1375-E1377 VanDerWaalsContact C-N 3.26Å; N1375-E1377 HydrophobicContact CB-CG 4.28Å; N1375-E1377 WeakPolarHBondContact CB-OE2 3.21Å; N1375-E1377 PolarHBondContact ND2-OE2 3.24Å; N1375-E1377 PolarHBondContact O-N 3.18Å; N1375-E1377 VanDerWaalsContact O-N 3.12Å; N1375-N1378 PolarHBondContact O-N 2.95Å; N1375-V1402 HydrophobicContact CB-CG1 3.8Å; N1375-V1402 VanDerWaalsContact CG-CG1 3.42Å; N1375-V1402 WeakPolarHBondContact ND2-CG1 3.24Å; N1375-V1402 PolarHBondContact OD1-O 3.4Å; N1375-I1478 HydrophobicContact CB-CG2 3.77Å; N1375-T1479 HydrophobicContact CB-CG2 4.47Å; N1375-T1479 VanDerWaalsContact O-CG2 3.29Å; N1375-T1479 WeakPolarHBondContact O-CG2 3.4Å | ||
| 1376 | L | 31 | Very low | 33.3 | Very low | 86.8 Ų | 86.8 | 100.4 Ų | 100.4 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 9.3 | 0 | -121.6 | 104.6 | 0 | 0 | 0 | 116 | H1298 I1374 N1378 T1379 Y1382 I1478 T1479 | H1298-L1376 VanDerWaalsContact NE2-CB 3.33Å; H1298-L1376 WeakPolarHBondContact NE2-CB 3.46Å; I1374-L1376 VanDerWaalsContact C-N 3.35Å; I1374-L1376 HydrophobicContact CG2-CD1 4.13Å; I1374-L1376 PolarHBondContact O-N 3.13Å; L1376-N1378 VanDerWaalsContact C-N 3.32Å; L1376-N1378 PolarHBondContact O-N 2.92Å; L1376-T1379 VanDerWaalsContact C-OG1 3.29Å; L1376-T1379 WeakPolarHBondContact CA-OG1 3.41Å; L1376-T1379 HydrophobicContact CB-CG2 4Å; L1376-T1379 HydrophobicContact CD2-CG2 4.04Å; L1376-T1379 HydrophobicContact CG-CG2 3.86Å; L1376-T1379 VanDerWaalsContact O-CB 3.24Å; L1376-T1379 WeakPolarHBondContact O-CB 3.31Å; L1376-T1379 WeakPolarHBondContact O-CG2 3.2Å; L1376-T1379 PolarHBondContact O-N 3.28Å; L1376-T1379 PolarHBondContact O-OG1 3Å; L1376-Y1382 HydrophobicContact CD2-CD2 3.65Å; L1376-Y1382 HydrophobicContact CD2-CE2 4.31Å; L1376-Y1382 HydrophobicContact CD2-CG 4.19Å; L1376-I1478 CarbonylContact O-C 3.39Å; L1376-I1478 WeakPolarHBondContact O-CA 3.1Å; L1376-I1478 WeakPolarHBondContact O-CB 2.95Å; L1376-I1478 VanDerWaalsContact O-CG2 3.28Å; L1376-I1478 WeakPolarHBondContact O-CG2 3.37Å; L1376-T1479 VanDerWaalsContact CA-OG1 3.23Å; L1376-T1479 WeakPolarHBondContact CA-OG1 2.95Å; L1376-T1479 PolarHBondContact O-N 2.89Å | |
| 1377 | E | 30.3 | Very low | 33.8 | Very low | 119.2 Ų | 119.2 | 98.9 Ų | 98.9 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -22.4 | -177.6 | -78.9 | 176.1 | 127.2 | 0 | 0 | 115.6 | N1375 T1379 Y1387 S1475 D1476 S1477 I1478 T1479 I1480 T1481 | N1375-E1377 VanDerWaalsContact C-N 3.26Å; N1375-E1377 HydrophobicContact CB-CG 4.28Å; N1375-E1377 WeakPolarHBondContact CB-OE2 3.21Å; N1375-E1377 PolarHBondContact ND2-OE2 3.24Å; N1375-E1377 PolarHBondContact O-N 3.18Å; N1375-E1377 VanDerWaalsContact O-N 3.12Å; E1377-T1379 VanDerWaalsContact C-N 3.29Å; E1377-T1379 PolarHBondContact O-N 3.42Å; E1377-Y1387 WeakPolarHBondContact OE1-CD1 3.42Å; E1377-Y1387 WeakPolarHBondContact OE1-CE1 3.38Å; E1377-S1475 CarbonylContact C-O 3.58Å; E1377-S1475 WeakPolarHBondContact CA-O 3.02Å; E1377-D1476 WeakPolarHBondContact CG-O 3.47Å; E1377-S1477 VanDerWaalsContact OE2-O 3.11Å; E1377-I1478 VanDerWaalsContact CG-N 3.26Å; E1377-I1478 WeakPolarHBondContact OE2-CA 3.28Å; E1377-I1478 PolarHBondContact OE2-N 3.15Å; E1377-T1479 VanDerWaalsContact CB-C 3.41Å; E1377-T1479 VanDerWaalsContact CB-CA 3.49Å; E1377-T1479 PolarHBondContact N-OG1 3.17Å; E1377-T1479 WeakPolarHBondContact OE2-CA 3.07Å; E1377-T1479 PolarHBondContact OE2-N 2.84Å; E1377-I1480 HydrophobicContact CB-CB 4.24Å; E1377-I1480 VanDerWaalsContact CD-CA 3.42Å; E1377-I1480 HydrophobicContact CG-CB 4.1Å; E1377-I1480 WeakPolarHBondContact OE1-CA 3.03Å; E1377-I1480 WeakPolarHBondContact OE1-CB 3.33Å; E1377-I1480 WeakPolarHBondContact OE1-CG2 3.11Å; E1377-I1480 PolarHBondContact OE1-N 3.47Å; E1377-I1480 VanDerWaalsContact OE1-N 3.15Å; E1377-I1480 WeakPolarHBondContact OE2-CA 3.38Å; E1377-I1480 PolarHBondContact OE2-N 2.61Å; E1377-T1481 VanDerWaalsContact CD-N 3.3Å; E1377-T1481 PolarHBondContact OE1-N 2.88Å; E1377-T1481 VanDerWaalsContact OE1-N 3.08Å; E1377-T1481 VanDerWaalsContact OE2-CB 3.24Å; E1377-T1481 WeakPolarHBondContact OE2-CB 3.08Å; E1377-T1481 PolarHBondContact OE2-N 3.35Å; E1377-T1481 PolarHBondContact OE2-OG1 3.33Å |
| 1378 | N | 30.9 | Very low | 34.4 | Very low | 119.2 Ų | 119.2 | 95.3 Ų | 95.3 | 64% | 0.637 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -117 | 51.2 | 168.5 | -85.4 | -26.8 | 0 | 0 | 0 | 114.9 | N1375 L1376 P1380 N1381 Y1382 S1475 D1476 I1480 | N1375-N1378 PolarHBondContact O-N 2.95Å; L1376-N1378 VanDerWaalsContact C-N 3.32Å; L1376-N1378 PolarHBondContact O-N 2.92Å; N1378-P1380 VanDerWaalsContact C-CD 3.46Å; N1378-P1380 VanDerWaalsContact C-N 3.34Å; N1378-P1380 WeakPolarHBondContact O-CD 3.34Å; N1378-N1381 PolarHBondContact O-N 3.37Å; N1378-Y1382 HydrophobicContact CB-CD2 3.97Å; N1378-Y1382 HydrophobicContact CB-CE2 3.8Å; N1378-Y1382 VanDerWaalsContact O-CD2 3.24Å; N1378-Y1382 WeakPolarHBondContact O-CD2 3.06Å; N1378-Y1382 PolarHBondContact O-N 3.28Å; N1378-S1475 PolarHBondContact N-O 3.25Å; N1378-D1476 CarbonylContact C-O 3.52Å; N1378-D1476 PolarHBondContact N-O 3Å; N1378-D1476 VanDerWaalsContact O-CB 3.29Å; N1378-D1476 WeakPolarHBondContact O-CB 3.21Å; N1378-I1480 WeakPolarHBondContact OD1-CD1 3.21Å |
| 1379 | T | 32.4 | Very low | 35.1 | Very low | 62 Ų | 62 | 92.1 Ų | 92.1 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -87 | -64.9 | 173.9 | 16.8 | 0 | 0 | 0 | 0 | 116.1 | L1376 E1377 N1381 Y1382 I1383 Y1387 | L1376-T1379 VanDerWaalsContact C-OG1 3.29Å; L1376-T1379 WeakPolarHBondContact CA-OG1 3.41Å; L1376-T1379 HydrophobicContact CB-CG2 4Å; L1376-T1379 HydrophobicContact CD2-CG2 4.04Å; L1376-T1379 HydrophobicContact CG-CG2 3.86Å; L1376-T1379 VanDerWaalsContact O-CB 3.24Å; L1376-T1379 WeakPolarHBondContact O-CB 3.31Å; L1376-T1379 WeakPolarHBondContact O-CG2 3.2Å; L1376-T1379 PolarHBondContact O-N 3.28Å; L1376-T1379 PolarHBondContact O-OG1 3Å; E1377-T1379 VanDerWaalsContact C-N 3.29Å; E1377-T1379 PolarHBondContact O-N 3.42Å; T1379-N1381 VanDerWaalsContact C-N 3.34Å; T1379-N1381 PolarHBondContact O-N 2.92Å; T1379-N1381 VanDerWaalsContact O-N 3.17Å; T1379-Y1382 WeakPolarHBondContact O-CA 3.44Å; T1379-Y1382 WeakPolarHBondContact O-CB 3.45Å; T1379-Y1382 PolarHBondContact O-N 3.14Å; T1379-I1383 HydrophobicContact CG2-CD1 3.95Å; T1379-I1383 HydrophobicContact CG2-CG1 4.31Å; T1379-I1383 WeakPolarHBondContact O-CB 3.42Å; T1379-I1383 WeakPolarHBondContact O-CD1 3.17Å; T1379-I1383 VanDerWaalsContact O-CG1 3.26Å; T1379-I1383 WeakPolarHBondContact O-CG1 3.36Å; T1379-I1383 PolarHBondContact O-N 3.12Å; T1379-Y1387 PolarHBondContact OG1-OH 3.24Å |
| 1380 | P | 34.1 | Very low | 35.7 | Very low | 85.4 Ų | 85.4 | 90.7 Ų | 90.7 | 56% | 0.555 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.6 | -47.6 | -175.2 | 5.1 | -7.2 | 0 | 0 | 0 | 115.4 | N1378 Y1382 I1383 E1384 | N1378-P1380 VanDerWaalsContact C-CD 3.46Å; N1378-P1380 VanDerWaalsContact C-N 3.34Å; N1378-P1380 WeakPolarHBondContact O-CD 3.34Å; P1380-Y1382 VanDerWaalsContact C-N 3.3Å; P1380-Y1382 PolarHBondContact O-N 3.1Å; P1380-Y1382 VanDerWaalsContact O-N 3.16Å; P1380-I1383 VanDerWaalsContact C-CB 3.41Å; P1380-I1383 WeakPolarHBondContact O-CA 3.17Å; P1380-I1383 WeakPolarHBondContact O-CB 3.2Å; P1380-I1383 WeakPolarHBondContact O-CG2 3.5Å; P1380-I1383 PolarHBondContact O-N 3.17Å; P1380-E1384 VanDerWaalsContact O-CB 3.27Å; P1380-E1384 WeakPolarHBondContact O-CB 3.35Å; P1380-E1384 PolarHBondContact O-N 3.02Å |
| 1381 | N | 37.4 | Very low | 36.3 | Very low | 102.4 Ų | 102.4 | 88.3 Ų | 88.3 | 55% | 0.548 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -76 | -30.8 | -177.7 | -67.3 | 12.2 | 0 | 0 | 0 | 114 | N1378 T1379 I1383 E1384 L1385 | N1378-N1381 PolarHBondContact O-N 3.37Å; T1379-N1381 VanDerWaalsContact C-N 3.34Å; T1379-N1381 PolarHBondContact O-N 2.92Å; T1379-N1381 VanDerWaalsContact O-N 3.17Å; N1381-I1383 PolarHBondContact O-N 3.05Å; N1381-E1384 VanDerWaalsContact C-N 3.34Å; N1381-E1384 HydrophobicContact CB-CG 4.28Å; N1381-E1384 PolarHBondContact ND2-OE2 3.28Å; N1381-E1384 WeakPolarHBondContact O-CB 3.42Å; N1381-E1384 PolarHBondContact O-N 3.43Å; N1381-L1385 WeakPolarHBondContact O-CA 3.34Å; N1381-L1385 WeakPolarHBondContact O-CB 3.33Å; N1381-L1385 PolarHBondContact O-N 3.03Å; N1381-L1385 VanDerWaalsContact O-N 3.08Å |
| 1382 | Y | 36.5 | Very low | 36.8 | Very low | 107 Ų | 107 | 86.1 Ų | 86.1 | 42% | 0.42 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 172.1 | -166 | -101.6 | 0 | 0 | 0 | 111.4 | V1301 L1376 N1378 T1379 P1380 E1384 L1385 L1386 | V1301-Y1382 HydrophobicContact CG2-CD2 4.28Å; V1301-Y1382 HydrophobicContact CG2-CE1 4.45Å; V1301-Y1382 HydrophobicContact CG2-CE2 3.7Å; L1376-Y1382 HydrophobicContact CD2-CD2 3.65Å; L1376-Y1382 HydrophobicContact CD2-CE2 4.31Å; L1376-Y1382 HydrophobicContact CD2-CG 4.19Å; N1378-Y1382 HydrophobicContact CB-CD2 3.97Å; N1378-Y1382 HydrophobicContact CB-CE2 3.8Å; N1378-Y1382 VanDerWaalsContact O-CD2 3.24Å; N1378-Y1382 WeakPolarHBondContact O-CD2 3.06Å; N1378-Y1382 PolarHBondContact O-N 3.28Å; T1379-Y1382 WeakPolarHBondContact O-CA 3.44Å; T1379-Y1382 WeakPolarHBondContact O-CB 3.45Å; T1379-Y1382 PolarHBondContact O-N 3.14Å; P1380-Y1382 VanDerWaalsContact C-N 3.3Å; P1380-Y1382 PolarHBondContact O-N 3.1Å; P1380-Y1382 VanDerWaalsContact O-N 3.16Å; Y1382-E1384 PolarHBondContact O-N 3.23Å; Y1382-L1385 CarbonylContact O-C 3.4Å; Y1382-L1385 PolarHBondContact O-N 3.13Å; Y1382-L1386 HydrophobicContact CD1-CB 4.43Å; Y1382-L1386 HydrophobicContact CD1-CD1 3.93Å; Y1382-L1386 HydrophobicContact CD1-CD2 4.46Å; Y1382-L1386 HydrophobicContact CD2-CD1 4.37Å; Y1382-L1386 HydrophobicContact CE1-CB 4.25Å; Y1382-L1386 HydrophobicContact CE1-CD1 3.44Å; Y1382-L1386 VanDerWaalsContact CE1-CD1 3.41Å; Y1382-L1386 HydrophobicContact CE1-CD2 4.05Å; Y1382-L1386 HydrophobicContact CE1-CG 4.38Å; Y1382-L1386 HydrophobicContact CE2-CB 4.4Å; Y1382-L1386 HydrophobicContact CE2-CD1 4.1Å; Y1382-L1386 HydrophobicContact CG-CD1 4.36Å; Y1382-L1386 WeakPolarHBondContact O-CB 3.29Å; Y1382-L1386 PolarHBondContact O-N 3.12Å |
| 1383 | I | 39.7 | Very low | 37.3 | Very low | 58.2 Ų | 58.2 | 83 Ų | 83 | 30% | 0.298 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 172.1 | -67.7 | 156.3 | 0 | 0 | 0 | 111.6 | L1294 T1379 P1380 N1381 L1385 L1386 Y1387 T1388 L1484 | L1294-I1383 HydrophobicContact CD1-CD1 4.45Å; L1294-I1383 HydrophobicContact CD1-CG2 4.49Å; T1379-I1383 HydrophobicContact CG2-CD1 3.95Å; T1379-I1383 HydrophobicContact CG2-CG1 4.31Å; T1379-I1383 WeakPolarHBondContact O-CB 3.42Å; T1379-I1383 WeakPolarHBondContact O-CD1 3.17Å; T1379-I1383 VanDerWaalsContact O-CG1 3.26Å; T1379-I1383 WeakPolarHBondContact O-CG1 3.36Å; T1379-I1383 PolarHBondContact O-N 3.12Å; P1380-I1383 VanDerWaalsContact C-CB 3.41Å; P1380-I1383 WeakPolarHBondContact O-CA 3.17Å; P1380-I1383 WeakPolarHBondContact O-CB 3.2Å; P1380-I1383 WeakPolarHBondContact O-CG2 3.5Å; P1380-I1383 PolarHBondContact O-N 3.17Å; N1381-I1383 PolarHBondContact O-N 3.05Å; I1383-L1385 VanDerWaalsContact C-N 3.33Å; I1383-L1385 PolarHBondContact O-N 3.1Å; I1383-L1386 PolarHBondContact O-N 3.1Å; I1383-Y1387 HydrophobicContact CB-CD1 4.16Å; I1383-Y1387 HydrophobicContact CB-CD2 4.03Å; I1383-Y1387 HydrophobicContact CB-CE1 4.16Å; I1383-Y1387 HydrophobicContact CB-CE2 4.11Å; I1383-Y1387 HydrophobicContact CB-CG 4.03Å; I1383-Y1387 HydrophobicContact CD1-CE2 4.45Å; I1383-Y1387 HydrophobicContact CG1-CD1 4.14Å; I1383-Y1387 HydrophobicContact CG1-CD2 3.82Å; I1383-Y1387 HydrophobicContact CG1-CE1 3.66Å; I1383-Y1387 HydrophobicContact CG1-CE2 3.37Å; I1383-Y1387 HydrophobicContact CG1-CG 4.16Å; I1383-Y1387 WeakPolarHBondContact CG1-OH 3.4Å; I1383-Y1387 HydrophobicContact CG2-CD1 3.37Å; I1383-Y1387 HydrophobicContact CG2-CD2 3.9Å; I1383-Y1387 VanDerWaalsContact CG2-CD2 3.49Å; I1383-Y1387 HydrophobicContact CG2-CE1 3.95Å; I1383-Y1387 HydrophobicContact CG2-CE2 3.64Å; I1383-Y1387 HydrophobicContact CG2-CG 4.01Å; I1383-Y1387 CarbonylContact O-C 3.52Å; I1383-Y1387 WeakPolarHBondContact O-CA 3.23Å; I1383-Y1387 VanDerWaalsContact O-CB 3.24Å; I1383-Y1387 WeakPolarHBondContact O-CB 3.26Å; I1383-Y1387 VanDerWaalsContact O-CD2 3.28Å; I1383-Y1387 WeakPolarHBondContact O-CD2 3.24Å; I1383-Y1387 PolarHBondContact O-N 3.03Å; I1383-T1388 PolarHBondContact O-N 2.64Å; I1383-L1484 HydrophobicContact CG1-CD2 4.48Å; I1383-L1484 HydrophobicContact CG2-CD2 3.51Å |
| 1384 | E | 38.4 | Very low | 37.6 | Very low | 103.6 Ų | 103.6 | 78.3 Ų | 78.3 | 48% | 0.484 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 175.8 | -105.3 | -176.5 | 163.8 | 0 | 0 | 111.8 | S1325 L1329 P1380 N1381 Y1382 T1388 | S1325-E1384 PolarHBondContact OG-OE1 3.09Å; L1329-E1384 HydrophobicContact CD1-CB 3.77Å; P1380-E1384 VanDerWaalsContact O-CB 3.27Å; P1380-E1384 WeakPolarHBondContact O-CB 3.35Å; P1380-E1384 PolarHBondContact O-N 3.02Å; N1381-E1384 VanDerWaalsContact C-N 3.34Å; N1381-E1384 HydrophobicContact CB-CG 4.28Å; N1381-E1384 PolarHBondContact ND2-OE2 3.28Å; N1381-E1384 WeakPolarHBondContact O-CB 3.42Å; N1381-E1384 PolarHBondContact O-N 3.43Å; Y1382-E1384 PolarHBondContact O-N 3.23Å; E1384-T1388 WeakPolarHBondContact O-CB 3.35Å; E1384-T1388 WeakPolarHBondContact O-CG2 3.24Å; E1384-T1388 PolarHBondContact O-N 2.91Å; E1384-T1388 PolarHBondContact O-OG1 2.83Å |
| 1385 | L | 39.9 | Very low | 37.8 | Very low | 59.4 Ų | 59.4 | 77.9 Ų | 77.9 | 31% | 0.311 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.2 | -45.2 | 173.9 | -169.7 | 77.9 | 0 | 0 | 0 | 112.3 | I1292 L1296 V1301 W1351 N1381 Y1382 I1383 Y1387 T1388 I1389 | I1292-L1385 HydrophobicContact CG2-CD1 4.38Å; L1296-L1385 HydrophobicContact CD1-CD1 4.47Å; L1296-L1385 HydrophobicContact CD1-CD2 3.38Å; L1296-L1385 VanDerWaalsContact CD1-CD2 3.43Å; V1301-L1385 HydrophobicContact CG1-CD2 4.3Å; W1351-L1385 HydrophobicContact CH2-CD1 4.23Å; W1351-L1385 HydrophobicContact CZ2-CD1 4.04Å; N1381-L1385 WeakPolarHBondContact O-CA 3.34Å; N1381-L1385 WeakPolarHBondContact O-CB 3.33Å; N1381-L1385 PolarHBondContact O-N 3.03Å; N1381-L1385 VanDerWaalsContact O-N 3.08Å; Y1382-L1385 CarbonylContact O-C 3.4Å; Y1382-L1385 PolarHBondContact O-N 3.13Å; I1383-L1385 VanDerWaalsContact C-N 3.33Å; I1383-L1385 PolarHBondContact O-N 3.1Å; L1385-Y1387 VanDerWaalsContact C-N 3.3Å; L1385-Y1387 PolarHBondContact O-N 3Å; L1385-T1388 VanDerWaalsContact CA-OG1 3.28Å; L1385-T1388 WeakPolarHBondContact CA-OG1 3.28Å; L1385-T1388 WeakPolarHBondContact O-CB 3.19Å; L1385-T1388 PolarHBondContact O-N 3.03Å; L1385-T1388 PolarHBondContact O-OG1 3.06Å; L1385-T1388 VanDerWaalsContact O-OG1 3.06Å; L1385-I1389 HydrophobicContact CD1-CD1 3.92Å; L1385-I1389 HydrophobicContact CD1-CG1 4.02Å; L1385-I1389 HydrophobicContact CD2-CD1 4.29Å; L1385-I1389 HydrophobicContact CG-CD1 4.02Å; L1385-I1389 HydrophobicContact CG-CG1 4.1Å; L1385-I1389 WeakPolarHBondContact O-CA 3.48Å; L1385-I1389 WeakPolarHBondContact O-CB 3.37Å; L1385-I1389 WeakPolarHBondContact O-CD1 3.22Å; L1385-I1389 VanDerWaalsContact O-CG1 3.26Å; L1385-I1389 WeakPolarHBondContact O-CG1 3.38Å; L1385-I1389 PolarHBondContact O-N 3.28Å |
| 1386 | L | 40.9 | Very low | 38.1 | Very low | 69.6 Ų | 69.6 | 75.9 Ų | 75.9 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.6 | -114.7 | 111.1 | 0 | 0 | 0 | 111.5 | Y1382 I1383 T1388 I1389 Q1390 | Y1382-L1386 HydrophobicContact CD1-CB 4.43Å; Y1382-L1386 HydrophobicContact CD1-CD1 3.93Å; Y1382-L1386 HydrophobicContact CD1-CD2 4.46Å; Y1382-L1386 HydrophobicContact CD2-CD1 4.37Å; Y1382-L1386 HydrophobicContact CE1-CB 4.25Å; Y1382-L1386 HydrophobicContact CE1-CD1 3.44Å; Y1382-L1386 VanDerWaalsContact CE1-CD1 3.41Å; Y1382-L1386 HydrophobicContact CE1-CD2 4.05Å; Y1382-L1386 HydrophobicContact CE1-CG 4.38Å; Y1382-L1386 HydrophobicContact CE2-CB 4.4Å; Y1382-L1386 HydrophobicContact CE2-CD1 4.1Å; Y1382-L1386 HydrophobicContact CG-CD1 4.36Å; Y1382-L1386 WeakPolarHBondContact O-CB 3.29Å; Y1382-L1386 PolarHBondContact O-N 3.12Å; I1383-L1386 PolarHBondContact O-N 3.1Å; L1386-T1388 VanDerWaalsContact C-N 3.33Å; L1386-T1388 PolarHBondContact O-N 3.41Å; L1386-I1389 CarbonylContact O-C 3.54Å; L1386-I1389 PolarHBondContact O-N 2.98Å; L1386-Q1390 VanDerWaalsContact CG-OE1 3.26Å; L1386-Q1390 WeakPolarHBondContact O-CA 3.44Å; L1386-Q1390 VanDerWaalsContact O-CB 3.28Å; L1386-Q1390 WeakPolarHBondContact O-CB 3.38Å; L1386-Q1390 VanDerWaalsContact O-CG 3.31Å; L1386-Q1390 WeakPolarHBondContact O-CG 3.36Å; L1386-Q1390 PolarHBondContact O-N 3.16Å; L1386-Q1390 PolarHBondContact O-OE1 3.17Å; L1386-Q1390 VanDerWaalsContact O-OE1 3.05Å |
| 1387 | Y | 40.5 | Very low | 38.2 | Very low | 72.6 Ų | 72.6 | 74.7 Ų | 74.7 | 29% | 0.285 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 174.5 | -90.2 | -80.1 | 0 | 0 | 0 | 112.3 | Y1302 M1306 E1377 T1379 I1383 L1385 I1389 Q1390 V1391 D1476 S1477 I1480 L1484 L1492 | Y1302-Y1387 WeakPolarHBondContact OH-CE2 3.44Å; Y1302-Y1387 PolarHBondContact OH-OH 3.17Å; M1306-Y1387 WeakPolarHBondContact CE-OH 3.39Å; E1377-Y1387 WeakPolarHBondContact OE1-CD1 3.42Å; E1377-Y1387 WeakPolarHBondContact OE1-CE1 3.38Å; T1379-Y1387 PolarHBondContact OG1-OH 3.24Å; I1383-Y1387 HydrophobicContact CB-CD1 4.16Å; I1383-Y1387 HydrophobicContact CB-CD2 4.03Å; I1383-Y1387 HydrophobicContact CB-CE1 4.16Å; I1383-Y1387 HydrophobicContact CB-CE2 4.11Å; I1383-Y1387 HydrophobicContact CB-CG 4.03Å; I1383-Y1387 HydrophobicContact CD1-CE2 4.45Å; I1383-Y1387 HydrophobicContact CG1-CD1 4.14Å; I1383-Y1387 HydrophobicContact CG1-CD2 3.82Å; I1383-Y1387 HydrophobicContact CG1-CE1 3.66Å; I1383-Y1387 HydrophobicContact CG1-CE2 3.37Å; I1383-Y1387 HydrophobicContact CG1-CG 4.16Å; I1383-Y1387 WeakPolarHBondContact CG1-OH 3.4Å; I1383-Y1387 HydrophobicContact CG2-CD1 3.37Å; I1383-Y1387 HydrophobicContact CG2-CD2 3.9Å; I1383-Y1387 VanDerWaalsContact CG2-CD2 3.49Å; I1383-Y1387 HydrophobicContact CG2-CE1 3.95Å; I1383-Y1387 HydrophobicContact CG2-CE2 3.64Å; I1383-Y1387 HydrophobicContact CG2-CG 4.01Å; I1383-Y1387 CarbonylContact O-C 3.52Å; I1383-Y1387 WeakPolarHBondContact O-CA 3.23Å; I1383-Y1387 VanDerWaalsContact O-CB 3.24Å; I1383-Y1387 WeakPolarHBondContact O-CB 3.26Å; I1383-Y1387 VanDerWaalsContact O-CD2 3.28Å; I1383-Y1387 WeakPolarHBondContact O-CD2 3.24Å; I1383-Y1387 PolarHBondContact O-N 3.03Å; L1385-Y1387 VanDerWaalsContact C-N 3.3Å; L1385-Y1387 PolarHBondContact O-N 3Å; Y1387-I1389 VanDerWaalsContact C-N 3.35Å; Y1387-I1389 PolarHBondContact O-N 3.15Å; Y1387-Q1390 PolarHBondContact O-N 3.26Å; Y1387-V1391 HydrophobicContact CD1-CG2 3.87Å; Y1387-V1391 HydrophobicContact CE1-CG2 3.55Å; Y1387-V1391 HydrophobicContact CE2-CG2 4.47Å; Y1387-V1391 HydrophobicContact CG-CG2 4.46Å; Y1387-V1391 VanDerWaalsContact O-CA 3.3Å; Y1387-V1391 WeakPolarHBondContact O-CA 3.01Å; Y1387-V1391 VanDerWaalsContact O-CB 3.3Å; Y1387-V1391 WeakPolarHBondContact O-CB 3.33Å; Y1387-V1391 VanDerWaalsContact O-CG2 3.29Å; Y1387-V1391 WeakPolarHBondContact O-CG2 3.2Å; Y1387-V1391 PolarHBondContact O-N 3.23Å; Y1387-D1476 WeakPolarHBondContact CE1-O 3.12Å; Y1387-D1476 PolarHBondContact OH-O 3.42Å; Y1387-S1477 WeakPolarHBondContact CE2-OG 3.32Å; Y1387-S1477 VanDerWaalsContact CZ-OG 3.24Å; Y1387-I1480 HydrophobicContact CD1-CG2 4.38Å; Y1387-L1484 HydrophobicContact CE1-CD1 3.86Å; Y1387-L1492 HydrophobicContact CE1-CD2 4.35Å |
| 1388 | T | 42.8 | Very low | 38.3 | Very low | 45.8 Ų | 45.8 | 71.4 Ų | 71.4 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 173.9 | 3.5 | 0 | 0 | 0 | 0 | 111.3 | L1326 W1351 F1352 I1383 E1384 L1385 L1386 Q1390 V1391 L1392 | L1326-T1388 HydrophobicContact CD2-CG2 3.98Å; W1351-T1388 HydrophobicContact CH2-CG2 4.3Å; F1352-T1388 HydrophobicContact CD2-CG2 4.19Å; F1352-T1388 HydrophobicContact CE2-CG2 3.59Å; F1352-T1388 HydrophobicContact CZ-CG2 4.47Å; I1383-T1388 PolarHBondContact O-N 2.64Å; E1384-T1388 WeakPolarHBondContact O-CB 3.35Å; E1384-T1388 WeakPolarHBondContact O-CG2 3.24Å; E1384-T1388 PolarHBondContact O-N 2.91Å; E1384-T1388 PolarHBondContact O-OG1 2.83Å; L1385-T1388 VanDerWaalsContact CA-OG1 3.28Å; L1385-T1388 WeakPolarHBondContact CA-OG1 3.28Å; L1385-T1388 WeakPolarHBondContact O-CB 3.19Å; L1385-T1388 PolarHBondContact O-N 3.03Å; L1385-T1388 PolarHBondContact O-OG1 3.06Å; L1385-T1388 VanDerWaalsContact O-OG1 3.06Å; L1386-T1388 VanDerWaalsContact C-N 3.33Å; L1386-T1388 PolarHBondContact O-N 3.41Å; T1388-Q1390 PolarHBondContact O-N 2.93Å; T1388-V1391 PolarHBondContact O-N 3.3Å; T1388-L1392 HydrophobicContact CG2-CD1 3.84Å; T1388-L1392 WeakPolarHBondContact O-CB 3.41Å; T1388-L1392 VanDerWaalsContact O-CD1 3.3Å; T1388-L1392 WeakPolarHBondContact O-CD1 3.34Å; T1388-L1392 WeakPolarHBondContact O-CG 3.3Å; T1388-L1392 PolarHBondContact O-N 3.26Å |
| 1389 | I | 43.8 | Very low | 38.3 | Very low | 45.8 Ų | 45.8 | 69.3 Ų | 69.3 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 173.8 | -68.6 | 169.8 | 0 | 0 | 0 | 111.4 | L1289 I1305 L1308 W1351 F1352 L1385 L1386 Y1387 V1391 L1392 Y1393 | L1289-I1389 HydrophobicContact CD1-CG1 4.28Å; I1305-I1389 HydrophobicContact CD1-CD1 3.99Å; I1305-I1389 HydrophobicContact CG1-CD1 4.46Å; L1308-I1389 HydrophobicContact CD2-CG2 3.69Å; W1351-I1389 HydrophobicContact CZ2-CD1 4.48Å; F1352-I1389 HydrophobicContact CE2-CD1 4.44Å; L1385-I1389 HydrophobicContact CD1-CD1 3.92Å; L1385-I1389 HydrophobicContact CD1-CG1 4.02Å; L1385-I1389 HydrophobicContact CD2-CD1 4.29Å; L1385-I1389 HydrophobicContact CG-CD1 4.02Å; L1385-I1389 HydrophobicContact CG-CG1 4.1Å; L1385-I1389 WeakPolarHBondContact O-CA 3.48Å; L1385-I1389 WeakPolarHBondContact O-CB 3.37Å; L1385-I1389 WeakPolarHBondContact O-CD1 3.22Å; L1385-I1389 VanDerWaalsContact O-CG1 3.26Å; L1385-I1389 WeakPolarHBondContact O-CG1 3.38Å; L1385-I1389 PolarHBondContact O-N 3.28Å; L1386-I1389 CarbonylContact O-C 3.54Å; L1386-I1389 PolarHBondContact O-N 2.98Å; Y1387-I1389 VanDerWaalsContact C-N 3.35Å; Y1387-I1389 PolarHBondContact O-N 3.15Å; I1389-V1391 VanDerWaalsContact C-N 3.32Å; I1389-V1391 PolarHBondContact O-N 3.39Å; I1389-L1392 CarbonylContact O-C 3.17Å; I1389-L1392 PolarHBondContact O-N 3.29Å; I1389-Y1393 WeakPolarHBondContact O-CA 3.46Å; I1389-Y1393 WeakPolarHBondContact O-CB 3.38Å; I1389-Y1393 PolarHBondContact O-N 3.09Å |
| 1390 | Q | 44.5 | Very low | 38.2 | Very low | 62.8 Ų | 62.8 | 69.9 Ų | 69.9 | 29% | 0.293 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 176.6 | -76.6 | 173.9 | -45.2 | 0 | 0 | 112.1 | L1386 Y1387 T1388 Y1393 C1394 W1474 S1477 | L1386-Q1390 VanDerWaalsContact CG-OE1 3.26Å; L1386-Q1390 WeakPolarHBondContact O-CA 3.44Å; L1386-Q1390 VanDerWaalsContact O-CB 3.28Å; L1386-Q1390 WeakPolarHBondContact O-CB 3.38Å; L1386-Q1390 VanDerWaalsContact O-CG 3.31Å; L1386-Q1390 WeakPolarHBondContact O-CG 3.36Å; L1386-Q1390 PolarHBondContact O-N 3.16Å; L1386-Q1390 PolarHBondContact O-OE1 3.17Å; L1386-Q1390 VanDerWaalsContact O-OE1 3.05Å; Y1387-Q1390 PolarHBondContact O-N 3.26Å; T1388-Q1390 PolarHBondContact O-N 2.93Å; Q1390-Y1393 WeakPolarHBondContact O-CB 3.41Å; Q1390-Y1393 PolarHBondContact O-N 3.23Å; Q1390-C1394 WeakPolarHBondContact O-CA 3.49Å; Q1390-C1394 WeakPolarHBondContact O-CB 3.36Å; Q1390-C1394 PolarHBondContact O-N 3.02Å; Q1390-C1394 VanDerWaalsContact O-N 3.13Å; Q1390-C1394 PolarHBondContact O-SG 3.3Å; Q1390-C1394 VanDerWaalsContact O-SG 3.41Å; Q1390-W1474 VanDerWaalsContact NE2-CZ3 3.33Å; Q1390-S1477 PolarHBondContact NE2-OG 2.93Å; Q1390-S1477 VanDerWaalsContact NE2-OG 3.12Å |
| 1391 | V | 42.3 | Very low | 38.2 | Very low | 53.4 Ų | 53.4 | 70.3 Ų | 70.3 | 32% | 0.324 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | Y1387 T1388 I1389 Y1393 C1394 L1395 T1481 L1484 L1490 | Y1387-V1391 HydrophobicContact CD1-CG2 3.87Å; Y1387-V1391 HydrophobicContact CE1-CG2 3.55Å; Y1387-V1391 HydrophobicContact CE2-CG2 4.47Å; Y1387-V1391 HydrophobicContact CG-CG2 4.46Å; Y1387-V1391 VanDerWaalsContact O-CA 3.3Å; Y1387-V1391 WeakPolarHBondContact O-CA 3.01Å; Y1387-V1391 VanDerWaalsContact O-CB 3.3Å; Y1387-V1391 WeakPolarHBondContact O-CB 3.33Å; Y1387-V1391 VanDerWaalsContact O-CG2 3.29Å; Y1387-V1391 WeakPolarHBondContact O-CG2 3.2Å; Y1387-V1391 PolarHBondContact O-N 3.23Å; T1388-V1391 PolarHBondContact O-N 3.3Å; I1389-V1391 VanDerWaalsContact C-N 3.32Å; I1389-V1391 PolarHBondContact O-N 3.39Å; V1391-Y1393 VanDerWaalsContact C-N 3.35Å; V1391-Y1393 PolarHBondContact O-N 3.37Å; V1391-Y1393 VanDerWaalsContact O-N 3.16Å; V1391-C1394 CarbonylContact O-C 3.55Å; V1391-C1394 PolarHBondContact O-N 3.18Å; V1391-L1395 HydrophobicContact CG1-CD1 3.91Å; V1391-L1395 HydrophobicContact CG1-CG 4.29Å; V1391-L1395 WeakPolarHBondContact O-CB 3.42Å; V1391-L1395 WeakPolarHBondContact O-CD1 3.38Å; V1391-L1395 VanDerWaalsContact O-CG 3.24Å; V1391-L1395 WeakPolarHBondContact O-CG 3.25Å; V1391-L1395 PolarHBondContact O-N 3.16Å; V1391-T1481 HydrophobicContact CB-CG2 4.39Å; V1391-T1481 HydrophobicContact CG2-CG2 3.76Å; V1391-T1481 WeakPolarHBondContact CG2-OG1 3.24Å; V1391-L1484 HydrophobicContact CG2-CD1 4.08Å; V1391-L1490 HydrophobicContact CG1-CD1 3.96Å |
| 1392 | L | 41 | Very low | 38.1 | Very low | 65 Ų | 65 | 67.7 Ų | 67.7 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 175.5 | -92.3 | 106.4 | 0 | 0 | 0 | 112.4 | F1285 T1388 I1389 C1394 L1395 M1396 | F1285-L1392 HydrophobicContact CE1-CB 4.45Å; F1285-L1392 HydrophobicContact CE1-CD1 3.83Å; F1285-L1392 HydrophobicContact CE1-CD2 3.82Å; F1285-L1392 HydrophobicContact CE1-CG 4.26Å; F1285-L1392 HydrophobicContact CZ-CB 4.5Å; F1285-L1392 HydrophobicContact CZ-CD1 3.81Å; F1285-L1392 HydrophobicContact CZ-CD2 3.84Å; F1285-L1392 HydrophobicContact CZ-CG 4.33Å; T1388-L1392 HydrophobicContact CG2-CD1 3.84Å; T1388-L1392 WeakPolarHBondContact O-CB 3.41Å; T1388-L1392 VanDerWaalsContact O-CD1 3.3Å; T1388-L1392 WeakPolarHBondContact O-CD1 3.34Å; T1388-L1392 WeakPolarHBondContact O-CG 3.3Å; T1388-L1392 PolarHBondContact O-N 3.26Å; I1389-L1392 CarbonylContact O-C 3.17Å; I1389-L1392 PolarHBondContact O-N 3.29Å; L1392-C1394 VanDerWaalsContact C-N 3.34Å; L1392-C1394 PolarHBondContact O-N 3.45Å; L1392-L1395 CarbonylContact O-C 3.59Å; L1392-L1395 VanDerWaalsContact O-C 3.28Å; L1392-L1395 WeakPolarHBondContact O-CA 3.22Å; L1392-L1395 PolarHBondContact O-N 2.98Å; L1392-M1396 HydrophobicContact CD2-SD 4.11Å; L1392-M1396 HydrophobicContact CG-SD 4.37Å; L1392-M1396 WeakPolarHBondContact O-CB 3.37Å; L1392-M1396 VanDerWaalsContact O-CG 3.27Å; L1392-M1396 WeakPolarHBondContact O-CG 3.34Å; L1392-M1396 PolarHBondContact O-N 3.34Å |
| 1393 | Y | 40.6 | Very low | 38 | Very low | 68 Ų | 68 | 67.8 Ų | 67.8 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 176.3 | -174.6 | -97.6 | 0 | 0 | 0 | 111.9 | L1308 M1312 I1389 Q1390 V1391 L1395 M1396 M1397 W1474 | L1308-Y1393 HydrophobicContact CD1-CD1 4.44Å; L1308-Y1393 HydrophobicContact CD1-CD2 3.77Å; L1308-Y1393 VanDerWaalsContact CD1-CD2 3.46Å; L1308-Y1393 HydrophobicContact CD1-CE2 3.82Å; L1308-Y1393 HydrophobicContact CD1-CG 4.03Å; L1308-Y1393 HydrophobicContact CD2-CD2 4.08Å; L1308-Y1393 HydrophobicContact CD2-CE2 4.39Å; L1308-Y1393 HydrophobicContact CG-CD2 3.87Å; L1308-Y1393 VanDerWaalsContact CG-CD2 3.47Å; L1308-Y1393 HydrophobicContact CG-CE2 3.95Å; L1308-Y1393 HydrophobicContact CG-CG 4.35Å; M1312-Y1393 HydrophobicContact CE-CD2 3.65Å; M1312-Y1393 HydrophobicContact CE-CE2 3.84Å; M1312-Y1393 HydrophobicContact CG-CD2 4.47Å; M1312-Y1393 HydrophobicContact CG-CE2 4.02Å; I1389-Y1393 WeakPolarHBondContact O-CA 3.46Å; I1389-Y1393 WeakPolarHBondContact O-CB 3.38Å; I1389-Y1393 PolarHBondContact O-N 3.09Å; Q1390-Y1393 WeakPolarHBondContact O-CB 3.41Å; Q1390-Y1393 PolarHBondContact O-N 3.23Å; V1391-Y1393 VanDerWaalsContact C-N 3.35Å; V1391-Y1393 PolarHBondContact O-N 3.37Å; V1391-Y1393 VanDerWaalsContact O-N 3.16Å; Y1393-L1395 VanDerWaalsContact C-N 3.3Å; Y1393-L1395 PolarHBondContact O-N 3.2Å; Y1393-L1395 VanDerWaalsContact O-N 3.15Å; Y1393-M1396 CarbonylContact O-C 3.21Å; Y1393-M1396 WeakPolarHBondContact O-CA 2.13Å; Y1393-M1396 WeakPolarHBondContact O-CB 3.42Å; Y1393-M1396 PolarHBondContact O-N 3.23Å; Y1393-M1396 VanDerWaalsContact O-N 3.11Å; Y1393-M1397 HydrophobicContact CD1-CE 4.42Å; Y1393-M1397 HydrophobicContact CD1-CG 4.1Å; Y1393-M1397 HydrophobicContact CE1-CE 4.18Å; Y1393-M1397 HydrophobicContact CE1-CG 4.26Å; Y1393-M1397 HydrophobicContact CE2-CE 4.12Å; Y1393-M1397 WeakPolarHBondContact O-CB 3.36Å; Y1393-M1397 VanDerWaalsContact O-CG 3.31Å; Y1393-M1397 WeakPolarHBondContact O-CG 3.44Å; Y1393-M1397 PolarHBondContact O-N 2.98Å; Y1393-M1397 VanDerWaalsContact OH-CE 3.32Å; Y1393-M1397 WeakPolarHBondContact OH-CE 3.25Å; Y1393-W1474 HydrophobicContact CD1-CH2 4.44Å; Y1393-W1474 HydrophobicContact CD1-CZ3 4.18Å; Y1393-W1474 AromaticContact CE1-CH2 3.66Å; Y1393-W1474 HydrophobicContact CE1-CH2 3.66Å; Y1393-W1474 AromaticContact CE1-CZ3 3.82Å; Y1393-W1474 HydrophobicContact CE1-CZ3 3.82Å |
| 1394 | C | 38.7 | Very low | 37.7 | Very low | 59.4 Ų | 59.4 | 70.4 Ų | 70.4 | 40% | 0.401 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.5 | -28 | 173.2 | -70 | 0 | 0 | 0 | 0 | 113.1 | Q1390 V1391 L1392 M1396 T1481 | Q1390-C1394 WeakPolarHBondContact O-CA 3.49Å; Q1390-C1394 WeakPolarHBondContact O-CB 3.36Å; Q1390-C1394 PolarHBondContact O-N 3.02Å; Q1390-C1394 VanDerWaalsContact O-N 3.13Å; Q1390-C1394 PolarHBondContact O-SG 3.3Å; Q1390-C1394 VanDerWaalsContact O-SG 3.41Å; V1391-C1394 CarbonylContact O-C 3.55Å; V1391-C1394 PolarHBondContact O-N 3.18Å; L1392-C1394 VanDerWaalsContact C-N 3.34Å; L1392-C1394 PolarHBondContact O-N 3.45Å; C1394-M1396 VanDerWaalsContact C-N 3.33Å; C1394-T1481 HydrophobicContact CB-CG2 4.32Å |
| 1395 | L | 38 | Very low | 37.5 | Very low | 91.4 Ų | 91.4 | 70.6 Ų | 70.6 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -83.3 | -17.3 | 176.5 | -69.7 | 169.1 | 0 | 0 | 0 | 113.3 | H1354 L1355 L1356 V1391 L1392 Y1393 L1485 L1490 L1493 | H1354-L1395 WeakPolarHBondContact O-CD2 3.15Å; L1355-L1395 CarbonylContact C-O 3.43Å; L1355-L1395 WeakPolarHBondContact CA-O 3.26Å; L1355-L1395 HydrophobicContact CB-CD2 4.1Å; L1355-L1395 HydrophobicContact CD1-CD2 4.28Å; L1355-L1395 HydrophobicContact CG-CD2 3.73Å; L1356-L1395 VanDerWaalsContact CD1-O 3.26Å; L1356-L1395 WeakPolarHBondContact CD1-O 3.16Å; V1391-L1395 HydrophobicContact CG1-CD1 3.91Å; V1391-L1395 HydrophobicContact CG1-CG 4.29Å; V1391-L1395 WeakPolarHBondContact O-CB 3.42Å; V1391-L1395 WeakPolarHBondContact O-CD1 3.38Å; V1391-L1395 VanDerWaalsContact O-CG 3.24Å; V1391-L1395 WeakPolarHBondContact O-CG 3.25Å; V1391-L1395 PolarHBondContact O-N 3.16Å; L1392-L1395 CarbonylContact O-C 3.59Å; L1392-L1395 VanDerWaalsContact O-C 3.28Å; L1392-L1395 WeakPolarHBondContact O-CA 3.22Å; L1392-L1395 PolarHBondContact O-N 2.98Å; Y1393-L1395 VanDerWaalsContact C-N 3.3Å; Y1393-L1395 PolarHBondContact O-N 3.2Å; Y1393-L1395 VanDerWaalsContact O-N 3.15Å; L1395-L1485 HydrophobicContact CD2-CD1 4.41Å; L1395-L1485 HydrophobicContact CD2-CD2 4.3Å; L1395-L1490 HydrophobicContact CD1-CD1 4.04Å; L1395-L1490 HydrophobicContact CD1-CD2 3.68Å; L1395-L1490 HydrophobicContact CD1-CG 4.41Å; L1395-L1490 HydrophobicContact CD2-CD2 3.97Å; L1395-L1490 HydrophobicContact CG-CD2 4.46Å; L1395-L1493 HydrophobicContact CB-CD1 4.41Å; L1395-L1493 HydrophobicContact CB-CD2 3.82Å; L1395-L1493 HydrophobicContact CD1-CD1 4Å; L1395-L1493 HydrophobicContact CD1-CD2 3.89Å; L1395-L1493 HydrophobicContact CD1-CG 4.3Å; L1395-L1493 HydrophobicContact CD2-CD1 3.54Å; L1395-L1493 HydrophobicContact CG-CD1 4.16Å; L1395-L1493 HydrophobicContact CG-CD2 4.25Å |
| 1396 | M | 36.3 | Very low | 37.2 | Very low | 57.6 Ų | 57.6 | 71.5 Ų | 71.5 | 28% | 0.284 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -97 | -9.1 | 179.9 | -69.9 | -118.9 | 79.1 | 0 | 0 | 114.3 | F1277 R1282 F1285 L1286 M1312 L1356 L1392 Y1393 C1394 P1398 L1499 | F1277-M1396 HydrophobicContact CB-CE 4.37Å; F1277-M1396 HydrophobicContact CD2-CE 3.93Å; F1277-M1396 VanDerWaalsContact CD2-CE 3.49Å; F1277-M1396 HydrophobicContact CE2-CE 3.73Å; F1277-M1396 HydrophobicContact CG-CE 3.98Å; F1277-M1396 HydrophobicContact CZ-CE 4.31Å; R1282-M1396 HydrophobicContact CB-CE 3.61Å; R1282-M1396 HydrophobicContact CG-CE 3.89Å; R1282-M1396 PolarHBondContact NH2-O 3.05Å; F1285-M1396 HydrophobicContact CD1-CE 4.07Å; F1285-M1396 HydrophobicContact CD1-SD 4.26Å; F1285-M1396 HydrophobicContact CE1-CE 4.26Å; F1285-M1396 HydrophobicContact CE1-SD 3.8Å; L1286-M1396 HydrophobicContact CD1-CE 4.16Å; L1286-M1396 HydrophobicContact CD2-CE 4.4Å; L1286-M1396 HydrophobicContact CD2-SD 4.43Å; L1286-M1396 HydrophobicContact CG-CE 4.05Å; M1312-M1396 HydrophobicContact CE-SD 4.38Å; L1356-M1396 HydrophobicContact CD1-CE 3.74Å; L1356-M1396 WeakPolarHBondContact CD1-O 3.36Å; L1392-M1396 HydrophobicContact CD2-SD 4.11Å; L1392-M1396 HydrophobicContact CG-SD 4.37Å; L1392-M1396 WeakPolarHBondContact O-CB 3.37Å; L1392-M1396 VanDerWaalsContact O-CG 3.27Å; L1392-M1396 WeakPolarHBondContact O-CG 3.34Å; L1392-M1396 PolarHBondContact O-N 3.34Å; Y1393-M1396 CarbonylContact O-C 3.21Å; Y1393-M1396 WeakPolarHBondContact O-CA 2.13Å; Y1393-M1396 WeakPolarHBondContact O-CB 3.42Å; Y1393-M1396 PolarHBondContact O-N 3.23Å; Y1393-M1396 VanDerWaalsContact O-N 3.11Å; C1394-M1396 VanDerWaalsContact C-N 3.33Å; M1396-P1398 WeakPolarHBondContact O-CD 3.44Å; M1396-L1499 HydrophobicContact CE-CD2 3.6Å; M1396-L1499 HydrophobicContact CG-CD2 4.24Å; M1396-L1499 HydrophobicContact SD-CD2 3.88Å |
| 1397 | M | 33.8 | Very low | 36.8 | Very low | 61.4 Ų | 61.4 | 73.8 Ų | 73.8 | 30% | 0.302 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -80.7 | 129.7 | 177.2 | -86.3 | -67.3 | -168.9 | 0 | 0 | 111.9 | Y1393 S1399 L1401 V1402 Y1405 | Y1393-M1397 HydrophobicContact CD1-CE 4.42Å; Y1393-M1397 HydrophobicContact CD1-CG 4.1Å; Y1393-M1397 HydrophobicContact CE1-CE 4.18Å; Y1393-M1397 HydrophobicContact CE1-CG 4.26Å; Y1393-M1397 HydrophobicContact CE2-CE 4.12Å; Y1393-M1397 WeakPolarHBondContact O-CB 3.36Å; Y1393-M1397 VanDerWaalsContact O-CG 3.31Å; Y1393-M1397 WeakPolarHBondContact O-CG 3.44Å; Y1393-M1397 PolarHBondContact O-N 2.98Å; Y1393-M1397 VanDerWaalsContact OH-CE 3.32Å; Y1393-M1397 WeakPolarHBondContact OH-CE 3.25Å; M1397-S1399 PolarHBondContact O-N 3.11Å; M1397-L1401 HydrophobicContact CE-CD1 4.02Å; M1397-L1401 HydrophobicContact SD-CB 3.96Å; M1397-L1401 HydrophobicContact SD-CD1 3.85Å; M1397-L1401 VanDerWaalsContact SD-CD1 3.57Å; M1397-L1401 HydrophobicContact SD-CG 4.45Å; M1397-V1402 HydrophobicContact CB-CG2 4.35Å; M1397-Y1405 HydrophobicContact CE-CD2 3.98Å; M1397-Y1405 HydrophobicContact CE-CE2 4.11Å |
| 1398 | P | 32.8 | Very low | 36.6 | Very low | 49.4 Ų | 49.4 | 74.5 Ų | 74.5 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | trans | -62.2 | 137.3 | 170.1 | -11.3 | 21.1 | 0 | 0 | 0 | 110.9 | F1169 M1396 C1400 L1401 | F1169-P1398 HydrophobicContact CE1-CG 4.04Å; M1396-P1398 WeakPolarHBondContact O-CD 3.44Å; P1398-C1400 VanDerWaalsContact CB-SG 3.54Å; P1398-C1400 PolarHBondContact O-N 3.13Å; P1398-C1400 VanDerWaalsContact O-N 3.07Å; P1398-L1401 HydrophobicContact CB-CD1 4.36Å; P1398-L1401 HydrophobicContact CG-CD1 4.11Å; P1398-L1401 PolarHBondContact O-N 3.23Å; P1398-L1401 VanDerWaalsContact O-N 3.11Å | ||
| 1399 | S | 31.1 | Very low | 36.2 | Very low | 74.6 Ų | 74.6 | 78.7 Ų | 78.7 | 52% | 0.522 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.1 | -14.9 | -175.6 | 39 | 0 | 0 | 0 | 0 | 114.6 | E1173 V1174 N1175 M1397 K1403 | E1173-S1399 WeakPolarHBondContact CA-OG 3.26Å; V1174-S1399 CarbonylContact C-O 3.6Å; V1174-S1399 PolarHBondContact N-OG 3.35Å; V1174-S1399 VanDerWaalsContact N-OG 3.1Å; N1175-S1399 PolarHBondContact N-O 3.32Å; M1397-S1399 PolarHBondContact O-N 3.11Å; S1399-K1403 WeakPolarHBondContact O-CG 3.25Å |
| 1400 | C | 28.8 | Very low | 35.7 | Very low | 74.6 Ų | 74.6 | 81.4 Ų | 81.4 | 50% | 0.504 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -71.6 | -35.7 | 170.8 | 40.1 | 0 | 0 | 0 | 0 | 113.4 | P1398 K1403 H1404 | P1398-C1400 VanDerWaalsContact CB-SG 3.54Å; P1398-C1400 PolarHBondContact O-N 3.13Å; P1398-C1400 VanDerWaalsContact O-N 3.07Å; C1400-K1403 VanDerWaalsContact O-CB 3.28Å; C1400-K1403 WeakPolarHBondContact O-CB 3.2Å; C1400-K1403 VanDerWaalsContact O-CG 3.25Å; C1400-K1403 WeakPolarHBondContact O-CG 3.42Å; C1400-K1403 PolarHBondContact O-N 3.01Å; C1400-H1404 PolarHBondContact O-N 3.38Å; C1400-H1404 VanDerWaalsContact O-N 3.07Å |
| 1401 | L | 33.5 | Very low | 35.1 | Very low | 93.6 Ų | 93.6 | 83.4 Ų | 83.4 | 49% | 0.49 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.2 | -36.9 | -178.6 | -100 | 158.6 | 0 | 0 | 0 | 112.3 | P1313 M1397 P1398 K1403 H1404 Y1405 | P1313-L1401 HydrophobicContact CB-CD1 4.33Å; P1313-L1401 HydrophobicContact CG-CD1 3.77Å; M1397-L1401 HydrophobicContact CE-CD1 4.02Å; M1397-L1401 HydrophobicContact SD-CB 3.96Å; M1397-L1401 HydrophobicContact SD-CD1 3.85Å; M1397-L1401 VanDerWaalsContact SD-CD1 3.57Å; M1397-L1401 HydrophobicContact SD-CG 4.45Å; P1398-L1401 HydrophobicContact CB-CD1 4.36Å; P1398-L1401 HydrophobicContact CG-CD1 4.11Å; P1398-L1401 PolarHBondContact O-N 3.23Å; P1398-L1401 VanDerWaalsContact O-N 3.11Å; L1401-K1403 VanDerWaalsContact C-N 3.27Å; L1401-K1403 PolarHBondContact O-N 3.17Å; L1401-K1403 VanDerWaalsContact O-N 3.16Å; L1401-H1404 VanDerWaalsContact O-CB 3.29Å; L1401-H1404 WeakPolarHBondContact O-CB 3.39Å; L1401-H1404 PolarHBondContact O-N 2.95Å; L1401-Y1405 PolarHBondContact O-N 3.22Å; L1401-Y1405 VanDerWaalsContact O-N 3.12Å |
| 1402 | V | 35.8 | Very low | 34.5 | Very low | 48 Ų | 48 | 87.2 Ų | 87.2 | 29% | 0.291 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.5 | -35.3 | 176.1 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | N1375 M1397 H1404 Y1405 H1406 I1471 I1478 | N1375-V1402 HydrophobicContact CB-CG1 3.8Å; N1375-V1402 VanDerWaalsContact CG-CG1 3.42Å; N1375-V1402 WeakPolarHBondContact ND2-CG1 3.24Å; N1375-V1402 PolarHBondContact OD1-O 3.4Å; M1397-V1402 HydrophobicContact CB-CG2 4.35Å; V1402-H1404 VanDerWaalsContact C-N 3.31Å; V1402-H1404 PolarHBondContact O-N 3.01Å; V1402-Y1405 PolarHBondContact O-N 3.03Å; V1402-H1406 PolarHBondContact O-CD2 3.1Å; V1402-H1406 PolarHBondContact O-N 3.19Å; V1402-I1471 HydrophobicContact CB-CG2 4.16Å; V1402-I1471 HydrophobicContact CG1-CG2 3.64Å; V1402-I1471 HydrophobicContact CG2-CG2 3.42Å; V1402-I1471 VanDerWaalsContact CG2-CG2 3.42Å; V1402-I1478 HydrophobicContact CG1-CB 4.34Å; V1402-I1478 HydrophobicContact CG1-CD1 3.93Å; V1402-I1478 HydrophobicContact CG1-CG1 4.09Å; V1402-I1478 HydrophobicContact CG1-CG2 3.31Å |
| 1403 | K | 34 | Very low | 34 | Very low | 108.8 Ų | 108.8 | 89.4 Ų | 89.4 | 47% | 0.473 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.8 | -32.5 | 177.3 | -69.1 | -175.2 | 161.4 | 171.3 | 0 | 113.3 | V1174 N1175 A1176 T1177 S1399 C1400 L1401 Y1405 H1406 F1407 F1700 | V1174-K1403 WeakPolarHBondContact O-CD 3.37Å; V1174-K1403 WeakPolarHBondContact O-CE 3.39Å; V1174-K1403 WeakPolarHBondContact O-CG 3.23Å; V1174-K1403 PolarHBondContact O-NZ 3.13Å; N1175-K1403 WeakPolarHBondContact O-CE 3.4Å; N1175-K1403 PolarHBondContact O-NZ 3.31Å; A1176-K1403 WeakPolarHBondContact O-CE 3.3Å; T1177-K1403 PolarHBondContact N-O 3.07Å; S1399-K1403 WeakPolarHBondContact O-CG 3.25Å; C1400-K1403 VanDerWaalsContact O-CB 3.28Å; C1400-K1403 WeakPolarHBondContact O-CB 3.2Å; C1400-K1403 VanDerWaalsContact O-CG 3.25Å; C1400-K1403 WeakPolarHBondContact O-CG 3.42Å; C1400-K1403 PolarHBondContact O-N 3.01Å; L1401-K1403 VanDerWaalsContact C-N 3.27Å; L1401-K1403 PolarHBondContact O-N 3.17Å; L1401-K1403 VanDerWaalsContact O-N 3.16Å; K1403-Y1405 PolarHBondContact O-N 3.34Å; K1403-H1406 PolarHBondContact O-N 2.83Å; K1403-F1407 VanDerWaalsContact O-CB 3.26Å; K1403-F1407 WeakPolarHBondContact O-CB 3.16Å; K1403-F1407 PolarHBondContact O-N 3.23Å; K1403-F1407 VanDerWaalsContact O-N 3.09Å; K1403-F1700 HydrophobicContact CB-CD1 4.07Å; K1403-F1700 HydrophobicContact CB-CE1 4.31Å; K1403-F1700 HydrophobicContact CD-CB 3.95Å; K1403-F1700 HydrophobicContact CD-CD1 3.91Å; K1403-F1700 HydrophobicContact CD-CG 4.29Å; K1403-F1700 PolarHBondContact NZ-O 3.06Å |
| 1404 | H | 35.1 | Very low | 33.6 | Very low | 113 Ų | 113 | 92.4 Ų | 92.4 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.4 | -39.9 | -177.2 | -129.9 | 78.8 | 0 | 0 | 0 | 112.3 | C1400 L1401 V1402 H1406 F1407 I1408 | C1400-H1404 PolarHBondContact O-N 3.38Å; C1400-H1404 VanDerWaalsContact O-N 3.07Å; L1401-H1404 VanDerWaalsContact O-CB 3.29Å; L1401-H1404 WeakPolarHBondContact O-CB 3.39Å; L1401-H1404 PolarHBondContact O-N 2.95Å; V1402-H1404 VanDerWaalsContact C-N 3.31Å; V1402-H1404 PolarHBondContact O-N 3.01Å; H1404-H1406 PolarHBondContact O-N 3.02Å; H1404-F1407 PolarHBondContact O-N 3.15Å; H1404-I1408 WeakPolarHBondContact O-CG1 3.17Å; H1404-I1408 PolarHBondContact O-N 3.39Å |
| 1405 | Y | 32.8 | Very low | 33.1 | Very low | 107.8 Ų | 107.8 | 96.5 Ų | 96.5 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.9 | -33.9 | -178.3 | -142 | -88.3 | 0 | 0 | 0 | 113.4 | M1397 L1401 V1402 K1403 F1407 I1408 K1409 F1462 F1468 I1471 P1472 D1473 W1474 | M1397-Y1405 HydrophobicContact CE-CD2 3.98Å; M1397-Y1405 HydrophobicContact CE-CE2 4.11Å; L1401-Y1405 PolarHBondContact O-N 3.22Å; L1401-Y1405 VanDerWaalsContact O-N 3.12Å; V1402-Y1405 PolarHBondContact O-N 3.03Å; K1403-Y1405 PolarHBondContact O-N 3.34Å; Y1405-F1407 VanDerWaalsContact C-N 3.31Å; Y1405-F1407 PolarHBondContact O-N 2.96Å; Y1405-F1407 VanDerWaalsContact O-N 3.16Å; Y1405-I1408 PolarHBondContact O-N 3.19Å; Y1405-K1409 PolarHBondContact O-N 3.07Å; Y1405-F1462 HydrophobicContact CD2-CB 4.32Å; Y1405-F1462 HydrophobicContact CE2-CB 4.14Å; Y1405-F1468 HydrophobicContact CD1-CD1 4.39Å; Y1405-F1468 AromaticContact CD1-CE1 3.81Å; Y1405-F1468 HydrophobicContact CD1-CE1 3.81Å; Y1405-F1468 AromaticContact CD2-CE1 3.87Å; Y1405-F1468 HydrophobicContact CD2-CE1 3.87Å; Y1405-F1468 AromaticContact CD2-CZ 3.89Å; Y1405-F1468 HydrophobicContact CD2-CZ 3.89Å; Y1405-F1468 HydrophobicContact CE1-CD1 4.39Å; Y1405-F1468 HydrophobicContact CE1-CE1 4.18Å; Y1405-F1468 HydrophobicContact CE2-CE1 4.32Å; Y1405-F1468 HydrophobicContact CE2-CZ 4.33Å; Y1405-F1468 AromaticContact CG-CE1 3.65Å; Y1405-F1468 HydrophobicContact CG-CE1 3.65Å; Y1405-F1468 HydrophobicContact CG-CZ 4.06Å; Y1405-F1468 WeakPolarHBondContact OH-CE1 3.21Å; Y1405-I1471 WeakPolarHBondContact CE2-O 3.03Å; Y1405-I1471 WeakPolarHBondContact OH-CD1 3.26Å; Y1405-I1471 PolarHBondContact OH-O 3.03Å; Y1405-P1472 WeakPolarHBondContact CE2-O 3.2Å; Y1405-P1472 VanDerWaalsContact CZ-O 3.31Å; Y1405-P1472 PolarHBondContact OH-O 3.1Å; Y1405-D1473 WeakPolarHBondContact OH-CA 3.37Å; Y1405-D1473 PolarHBondContact OH-N 2.95Å; Y1405-D1473 PolarHBondContact OH-OD1 3.31Å; Y1405-W1474 HydrophobicContact CD2-CB 4.44Å; Y1405-W1474 AromaticContact CE1-CD1 3.97Å; Y1405-W1474 AromaticContact CE2-CD1 3.98Å |
| 1406 | H | 34.4 | Very low | 32.7 | Very low | 78.8 Ų | 78.8 | 98.9 Ų | 98.9 | 37% | 0.365 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.2 | -27.7 | 177.7 | -112 | -54.9 | 0 | 0 | 0 | 113.2 | T1177 I1374 V1402 K1403 H1404 I1408 K1409 L1410 D1473 W1474 L1573 | T1177-H1406 HydrophobicContact CG2-CB 4.38Å; I1374-H1406 PolarHBondContact O-CD2 2.86Å; V1402-H1406 PolarHBondContact O-CD2 3.1Å; V1402-H1406 PolarHBondContact O-N 3.19Å; K1403-H1406 PolarHBondContact O-N 2.83Å; H1404-H1406 PolarHBondContact O-N 3.02Å; H1406-I1408 PolarHBondContact O-N 3.3Å; H1406-K1409 PolarHBondContact O-N 3.16Å; H1406-L1410 WeakPolarHBondContact O-CB 3.23Å; H1406-L1410 VanDerWaalsContact O-CG 3.28Å; H1406-L1410 WeakPolarHBondContact O-CG 3.47Å; H1406-L1410 PolarHBondContact O-N 3.01Å; H1406-D1473 IonicContact CE1-OD1 2.76Å; H1406-D1473 PolarHBondContact CE1-OD1 2.96Å; H1406-D1473 IonicContact NE2-OD1 3.67Å; H1406-W1474 HydrophobicContact CB-CE3 4.39Å; H1406-L1573 WeakPolarHBondContact CE1-CD1 3.48Å; H1406-L1573 WeakPolarHBondContact ND1-CD1 3.42Å |
| 1407 | F | 33.2 | Very low | 32.3 | Very low | 117 Ų | 117 | 104.1 Ų | 104.1 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -78.3 | -34.5 | -176.7 | -127.5 | -95.2 | 0 | 0 | 0 | 113.3 | Y939 T1177 Q1178 Q1179 K1403 H1404 Y1405 K1409 N1411 | Y939-F1407 HydrophobicContact CE1-CD2 4.2Å; Y939-F1407 AromaticContact CE1-CE2 3.59Å; Y939-F1407 HydrophobicContact CE1-CE2 3.59Å; Y939-F1407 AromaticContact CZ-CE2 3.61Å; Y939-F1407 WeakPolarHBondContact OH-CE2 3.18Å; Y939-F1407 WeakPolarHBondContact OH-CZ 2.95Å; T1177-F1407 HydrophobicContact CG2-CD2 4.1Å; Q1178-F1407 VanDerWaalsContact CB-C 3.47Å; Q1178-F1407 HydrophobicContact CB-CB 3.42Å; Q1178-F1407 VanDerWaalsContact CB-CB 3.42Å; Q1178-F1407 HydrophobicContact CB-CD1 2.32Å; Q1178-F1407 HydrophobicContact CB-CD2 2.33Å; Q1178-F1407 HydrophobicContact CB-CE1 2.28Å; Q1178-F1407 HydrophobicContact CB-CE2 2.31Å; Q1178-F1407 HydrophobicContact CB-CG 2.29Å; Q1178-F1407 HydrophobicContact CB-CZ 2.29Å; Q1178-F1407 VanDerWaalsContact CB-O 3.31Å; Q1178-F1407 WeakPolarHBondContact CB-O 2.98Å; Q1178-F1407 HydrophobicContact CG-CB 3.92Å; Q1178-F1407 HydrophobicContact CG-CD1 2.7Å; Q1178-F1407 HydrophobicContact CG-CD2 3.8Å; Q1178-F1407 HydrophobicContact CG-CE1 2.79Å; Q1178-F1407 HydrophobicContact CG-CE2 3.87Å; Q1178-F1407 HydrophobicContact CG-CG 3.21Å; Q1178-F1407 HydrophobicContact CG-CZ 3.43Å; Q1178-F1407 VanDerWaalsContact CG-CZ 3.43Å; Q1178-F1407 WeakPolarHBondContact O-CE1 3.41Å; Q1178-F1407 PolarHBondContact OE1-O 3.49Å; Q1178-F1407 VanDerWaalsContact OE1-O 3.04Å; Q1179-F1407 HydrophobicContact CB-CE1 3.89Å; Q1179-F1407 HydrophobicContact CB-CE2 4.44Å; Q1179-F1407 HydrophobicContact CB-CZ 3.11Å; Q1179-F1407 VanDerWaalsContact CD-CZ 3.42Å; Q1179-F1407 HydrophobicContact CG-CE1 4.25Å; Q1179-F1407 HydrophobicContact CG-CZ 3.49Å; Q1179-F1407 VanDerWaalsContact CG-CZ 3.49Å; K1403-F1407 VanDerWaalsContact O-CB 3.26Å; K1403-F1407 WeakPolarHBondContact O-CB 3.16Å; K1403-F1407 PolarHBondContact O-N 3.23Å; K1403-F1407 VanDerWaalsContact O-N 3.09Å; H1404-F1407 PolarHBondContact O-N 3.15Å; Y1405-F1407 VanDerWaalsContact C-N 3.31Å; Y1405-F1407 PolarHBondContact O-N 2.96Å; Y1405-F1407 VanDerWaalsContact O-N 3.16Å; F1407-K1409 PolarHBondContact O-N 3.06Å; F1407-N1411 WeakPolarHBondContact CE1-ND2 3.21Å; F1407-N1411 PolarHBondContact O-N 3.04Å; F1407-N1411 PolarHBondContact O-ND2 3.26Å |
| 1408 | I | 35.5 | Very low | 31.9 | Very low | 89.2 Ų | 89.2 | 108.5 Ų | 108.5 | 46% | 0.457 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -34.3 | -175.3 | -65.9 | 170 | 0 | 0 | 0 | 112.8 | Q1178 H1404 Y1405 H1406 L1410 N1411 E1412 N1469 | Q1178-I1408 VanDerWaalsContact CD-CA 3.41Å; Q1178-I1408 VanDerWaalsContact NE2-C 3.32Å; Q1178-I1408 PolarHBondContact NE2-O 3.33Å; Q1178-I1408 PolarHBondContact OE1-O 2.99Å; H1404-I1408 WeakPolarHBondContact O-CG1 3.17Å; H1404-I1408 PolarHBondContact O-N 3.39Å; Y1405-I1408 PolarHBondContact O-N 3.19Å; H1406-I1408 PolarHBondContact O-N 3.3Å; I1408-L1410 VanDerWaalsContact C-N 3.3Å; I1408-L1410 PolarHBondContact O-N 3.16Å; I1408-N1411 WeakPolarHBondContact O-CA 3.38Å; I1408-N1411 WeakPolarHBondContact O-CB 3.41Å; I1408-N1411 PolarHBondContact O-N 2.91Å; I1408-E1412 HydrophobicContact CG2-CG 4.21Å; I1408-E1412 PolarHBondContact O-N 3.44Å; I1408-N1469 HydrophobicContact CD1-CB 4.45Å; I1408-N1469 VanDerWaalsContact CD1-OD1 3.28Å; I1408-N1469 WeakPolarHBondContact CD1-OD1 3.45Å |
| 1409 | K | 33.2 | Very low | 31.6 | Very low | 133.4 Ų | 133.4 | 112.4 Ų | 112.4 | 58% | 0.58 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -81.4 | -10.1 | -173.1 | -158.3 | 171.5 | -177.6 | 173.1 | 0 | 114.5 | Y1405 H1406 F1407 N1411 E1412 D1413 D1473 | Y1405-K1409 PolarHBondContact O-N 3.07Å; H1406-K1409 PolarHBondContact O-N 3.16Å; F1407-K1409 PolarHBondContact O-N 3.06Å; K1409-N1411 VanDerWaalsContact C-N 3.29Å; K1409-N1411 PolarHBondContact O-N 3.22Å; K1409-E1412 PolarHBondContact O-N 3.4Å; K1409-E1412 VanDerWaalsContact O-N 3.11Å; K1409-D1413 PolarHBondContact O-N 2.97Å; K1409-D1473 IonicContact NZ-OD1 3.4Å; K1409-D1473 PolarHBondContact NZ-OD1 3.35Å |
| 1410 | L | 33.1 | Very low | 31.3 | Very low | 101.8 Ų | 101.8 | 114 Ų | 114 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -88.6 | -18.4 | 177.5 | -84.4 | 164.6 | 0 | 0 | 0 | 113.6 | H1406 I1408 H1414 | H1406-L1410 WeakPolarHBondContact O-CB 3.23Å; H1406-L1410 VanDerWaalsContact O-CG 3.28Å; H1406-L1410 WeakPolarHBondContact O-CG 3.47Å; H1406-L1410 PolarHBondContact O-N 3.01Å; I1408-L1410 VanDerWaalsContact C-N 3.3Å; I1408-L1410 PolarHBondContact O-N 3.16Å; L1410-H1414 WeakPolarHBondContact O-CB 3.32Å; L1410-H1414 PolarHBondContact O-CD2 3.16Å; L1410-H1414 PolarHBondContact O-N 3.47Å |
| 1411 | N | 32 | Very low | 31.1 | Very low | 105 Ų | 105 | 116 Ų | 116 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -96.8 | -7.2 | -175.6 | -91.8 | -14.3 | 0 | 0 | 0 | 114.3 | Q1178 Q1179 F1407 I1408 K1409 N1415 | Q1178-N1411 VanDerWaalsContact OE1-N 3.13Å; Q1179-N1411 VanDerWaalsContact CG-OD1 3.26Å; Q1179-N1411 WeakPolarHBondContact CG-OD1 3.33Å; Q1179-N1411 VanDerWaalsContact NE2-CG 3.33Å; Q1179-N1411 PolarHBondContact NE2-ND2 2.85Å; Q1179-N1411 PolarHBondContact NE2-OD1 2.57Å; Q1179-N1411 PolarHBondContact OE1-OD1 3.17Å; Q1179-N1411 VanDerWaalsContact OE1-OD1 3.06Å; F1407-N1411 WeakPolarHBondContact CE1-ND2 3.21Å; F1407-N1411 PolarHBondContact O-N 3.04Å; F1407-N1411 PolarHBondContact O-ND2 3.26Å; I1408-N1411 WeakPolarHBondContact O-CA 3.38Å; I1408-N1411 WeakPolarHBondContact O-CB 3.41Å; I1408-N1411 PolarHBondContact O-N 2.91Å; K1409-N1411 VanDerWaalsContact C-N 3.29Å; K1409-N1411 PolarHBondContact O-N 3.22Å; N1411-N1415 PolarHBondContact O-N 3.34Å; N1411-N1415 PolarHBondContact O-ND2 3.2Å |
| 1412 | E | 31 | Very low | 30.7 | Very low | 133 Ų | 133 | 118.7 Ų | 118.7 | 62% | 0.621 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -90.7 | -30.9 | 175.5 | -68.6 | -172.9 | 142.5 | 0 | 0 | 111.6 | T1363 I1408 K1409 H1414 N1415 Q1416 | T1363-E1412 WeakPolarHBondContact CB-OE1 3.35Å; T1363-E1412 VanDerWaalsContact CG2-OE1 3.24Å; T1363-E1412 WeakPolarHBondContact CG2-OE1 3.39Å; T1363-E1412 WeakPolarHBondContact CG2-OE2 3.27Å; I1408-E1412 HydrophobicContact CG2-CG 4.21Å; I1408-E1412 PolarHBondContact O-N 3.44Å; K1409-E1412 PolarHBondContact O-N 3.4Å; K1409-E1412 VanDerWaalsContact O-N 3.11Å; E1412-H1414 VanDerWaalsContact C-N 3.31Å; E1412-H1414 PolarHBondContact O-N 3.09Å; E1412-N1415 PolarHBondContact O-N 2.82Å; E1412-N1415 VanDerWaalsContact O-N 3.13Å; E1412-Q1416 PolarHBondContact O-N 2.74Å |
| 1413 | D | 31.2 | Very low | 30.2 | Very low | 111.2 Ų | 111.2 | 124.1 Ų | 124.1 | 60% | 0.595 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.8 | -5.9 | -171.6 | -69.6 | -26.7 | 0 | 0 | 0 | 114.3 | K1409 N1415 Q1416 | K1409-D1413 PolarHBondContact O-N 2.97Å; D1413-N1415 VanDerWaalsContact C-N 3.31Å; D1413-N1415 PolarHBondContact O-N 3.06Å; D1413-Q1416 PolarHBondContact O-N 2.76Å |
| 1414 | H | 31.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 122.4 Ų | 122.4 | 61% | 0.606 | 64% | 0.639 | S | S | * | * | trans | -98.6 | 2.9 | -173.8 | -79.5 | -56.3 | 0 | 0 | 0 | 115.9 | L1410 E1412 Q1416 Y1755 | L1410-H1414 WeakPolarHBondContact O-CB 3.32Å; L1410-H1414 PolarHBondContact O-CD2 3.16Å; L1410-H1414 PolarHBondContact O-N 3.47Å; E1412-H1414 VanDerWaalsContact C-N 3.31Å; E1412-H1414 PolarHBondContact O-N 3.09Å; H1414-Q1416 VanDerWaalsContact C-N 3.34Å; H1414-Q1416 PolarHBondContact O-N 2.9Å; H1414-Y1755 AromaticContact CE1-CD2 3.43Å; H1414-Y1755 VanDerWaalsContact CE1-CD2 3.43Å; H1414-Y1755 WeakPolarHBondContact CE1-CD2 3.29Å; H1414-Y1755 AromaticContact CE1-CE2 3.45Å; H1414-Y1755 VanDerWaalsContact CE1-CE2 3.45Å; H1414-Y1755 WeakPolarHBondContact CE1-CE2 3.41Å; H1414-Y1755 AromaticContact CE1-CG 3.97Å; H1414-Y1755 AromaticContact NE2-CD2 3.57Å; H1414-Y1755 AromaticContact NE2-CE2 3.24Å; H1414-Y1755 WeakPolarHBondContact NE2-CE2 3.06Å; H1414-Y1755 AromaticContact NE2-CZ 3.97Å | ||
| 1415 | N | 28.9 | Very low | 29.4 | Very low | 145.2 Ų | 145.2 | 124.4 Ų | 124.4 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | trans | -89 | 33.7 | 176.9 | -91.2 | -37.9 | 0 | 0 | 0 | 113.6 | N1411 E1412 D1413 | N1411-N1415 PolarHBondContact O-N 3.34Å; N1411-N1415 PolarHBondContact O-ND2 3.2Å; E1412-N1415 PolarHBondContact O-N 2.82Å; E1412-N1415 VanDerWaalsContact O-N 3.13Å; D1413-N1415 VanDerWaalsContact C-N 3.31Å; D1413-N1415 PolarHBondContact O-N 3.06Å | ||
| 1416 | Q | 29.8 | Very low | 29 | Very low | 141.6 Ų | 141.6 | 126.8 Ų | 126.8 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | trans | -128 | 51.9 | 170.9 | -74.8 | -171.9 | 8 | 0 | 0 | 115.2 | E1412 D1413 H1414 D1758 | E1412-Q1416 PolarHBondContact O-N 2.74Å; D1413-Q1416 PolarHBondContact O-N 2.76Å; H1414-Q1416 VanDerWaalsContact C-N 3.34Å; H1414-Q1416 PolarHBondContact O-N 2.9Å; Q1416-D1758 WeakPolarHBondContact O-CB 3.18Å | ||
| 1417 | F | 27.1 | Very low | 28.4 | Very low | 166.8 Ų | 166.8 | 130.4 Ų | 130.4 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | trans | -97.4 | 70.4 | 174.2 | -71.1 | -71.1 | 0 | 0 | 0 | 115.7 | D1758 | F1417-D1758 HydrophobicContact CB-CB 4.26Å; F1417-D1758 HydrophobicContact CD2-CB 4.39Å | ||
| 1418 | H | 25.2 | Very low | 28 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | -114.2 | 111.1 | 145.9 | -101.9 | -78.9 | 0 | 0 | 0 | 113 | D1758 S1760 M1761 | H1418-D1758 WeakPolarHBondContact CB-OD1 3.21Å; H1418-D1758 PolarHBondContact CD2-O 3.48Å; H1418-S1760 VanDerWaalsContact CE1-C 3.5Å; H1418-S1760 PolarHBondContact CE1-O 2.95Å; H1418-S1760 WeakPolarHBondContact NE2-CA 3.13Å; H1418-S1760 PolarHBondContact NE2-N 3.09Å; H1418-S1760 PolarHBondContact NE2-O 3.33Å; H1418-M1761 PolarHBondContact CE1-O 3.28Å | ||
| 1419 | T | 26.5 | Very low | 27.4 | Very low | 131.2 Ų | 131.2 | 136.8 Ų | 136.8 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | trans | -148.6 | 134.7 | 152.3 | 30.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1420 | S | 24.9 | Very low | 26.9 | Very low | 108.6 Ų | 108.6 | 135.6 Ų | 135.6 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 164.3 | 155.1 | 169.7 | 84.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1421 | C | 24.9 | Very low | 26.5 | Very low | 117.6 Ų | 117.6 | 138.5 Ų | 138.5 | 80% | 0.795 | 74% | 0.738 | S | S | * | * | cis | -166.5 | 150 | 38.9 | -96.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1422 | N | 25.2 | Very low | 26.1 | Very low | 150.2 Ų | 150.2 | 136.4 Ų | 136.4 | 80% | 0.803 | 74% | 0.74 | S | S | * | * | trans | -24 | 138.5 | 169.2 | -76.1 | -24.8 | 0 | 0 | 0 | 116.6 | ||||
| 1423 | N | 25.7 | Very low | 25.7 | Very low | 161.8 Ų | 161.8 | 139 Ų | 139 | 87% | 0.865 | 75% | 0.75 | S | S | * | * | trans | 135.1 | 129 | 135.6 | -72.1 | -26.9 | 0 | 0 | 0 | 115.3 | ||||
| 1424 | G | 25.2 | Very low | 25.4 | Very low | 71.6 Ų | 71.6 | 139.2 Ų | 139.2 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 179.9 | 110.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1426 | G1424-N1426 PolarHBondContact O-N 3.29Š| ||
| 1425 | N | 25.5 | Very low | 25.2 | Very low | 156.6 Ų | 156.6 | 139.9 Ų | 139.9 | 84% | 0.837 | 76% | 0.762 | S | S | * | * | trans | 1.4 | 121.3 | 166.8 | -60.4 | -15.9 | 0 | 0 | 0 | 117.5 | ||||
| 1426 | N | 25.4 | Very low | 25 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | 169.1 | 129.1 | 142.4 | -93.5 | -17 | 0 | 0 | 0 | 114 | G1424 | G1424-N1426 PolarHBondContact O-N 3.29Š| ||
| 1427 | M | 21.9 | Very low | 24.8 | Very low | 152.8 Ų | 152.8 | 137.7 Ų | 137.7 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -68.6 | 118.3 | 160.1 | -118.1 | 171 | 70.2 | 0 | 0 | 114.7 | ||||
| 1428 | Y | 24.5 | Very low | 24.7 | Very low | 206.8 Ų | 206.8 | 135.6 Ų | 135.6 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -172.6 | 109.7 | 157.6 | -75.5 | -73.4 | 0 | 0 | 0 | 113 | C1430 | Y1428-C1430 PolarHBondContact O-N 3.02Š| ||
| 1429 | N | 23.5 | Very low | 24.7 | Very low | 134.6 Ų | 134.6 | 133.9 Ų | 133.9 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | 27.8 | 108.5 | 129.6 | -95.9 | 7 | 0 | 0 | 0 | 114.8 | |||||
| 1430 | C | 23 | Very low | 24.7 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | -158 | 120.7 | 129.6 | -80.5 | 0 | 0 | 0 | 0 | 112.9 | Y1428 G1432 | Y1428-C1430 PolarHBondContact O-N 3.02Å; C1430-G1432 PolarHBondContact O-N 3.04Å | |||
| 1431 | Q | 24.4 | Very low | 24.8 | Very low | 162.4 Ų | 162.4 | 134.5 Ų | 134.5 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -44.9 | 120.3 | 165.9 | -78.3 | 171.9 | -30.5 | 0 | 0 | 113.5 | D1256 V1434 | D1256-Q1431 PolarHBondContact OD2-NE2 2.92Å; Q1431-V1434 HydrophobicContact CB-CG2 3.76Å; Q1431-V1434 HydrophobicContact CG-CG2 3.83Å | ||
| 1432 | G | 23.3 | Very low | 24.8 | Very low | 59.4 Ų | 59.4 | 135.6 Ų | 135.6 | 61% | 0.612 | 76% | 0.76 | S | S | * | * | 124.3 | 147.7 | 129 | 0 | 0 | 0 | 0 | 0 | 115.5 | D1257 S1258 C1430 | D1257-G1432 WeakPolarHBondContact CA-O 3.14Å; S1258-G1432 PolarHBondContact N-O 3.2Å; S1258-G1432 PolarHBondContact OG-N 2.89Å; S1258-G1432 PolarHBondContact OG-O 3.49Å; C1430-G1432 PolarHBondContact O-N 3.04Å | |||
| 1433 | F | 23.5 | Very low | 25 | Very low | 189.4 Ų | 189.4 | 135.4 Ų | 135.4 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | trans | -152.8 | 113.9 | 154.6 | -101.6 | -80.3 | 0 | 0 | 0 | 110.7 | D1257 S1258 D1259 A1260 | D1257-F1433 HydrophobicContact CB-CD1 3.48Å; D1257-F1433 VanDerWaalsContact CB-CD1 3.48Å; D1257-F1433 HydrophobicContact CB-CD2 3.79Å; D1257-F1433 HydrophobicContact CB-CE1 3.3Å; D1257-F1433 HydrophobicContact CB-CE2 3.62Å; D1257-F1433 HydrophobicContact CB-CG 3.71Å; D1257-F1433 HydrophobicContact CB-CZ 3.37Å; D1257-F1433 WeakPolarHBondContact OD1-CA 3.38Å; D1257-F1433 VanDerWaalsContact OD1-CD1 3.24Å; D1257-F1433 WeakPolarHBondContact OD1-CD1 3.46Å; D1257-F1433 WeakPolarHBondContact OD2-CE1 3.32Å; S1258-F1433 VanDerWaalsContact C-CD2 3.45Å; S1258-F1433 WeakPolarHBondContact O-CD2 3.49Å; D1259-F1433 WeakPolarHBondContact O-CD2 3.43Å; A1260-F1433 HydrophobicContact CB-CD2 4.04Å; A1260-F1433 HydrophobicContact CB-CE2 3.81Å; A1260-F1433 HydrophobicContact CB-CZ 4.38Å | ||
| 1434 | V | 24.3 | Very low | 25 | Very low | 114.8 Ų | 114.8 | 133.9 Ų | 133.9 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | trans | -121.7 | 133.3 | 171 | 156.6 | 0 | 0 | 0 | 0 | 111 | D1257 Q1431 | D1257-V1434 PolarHBondContact OD1-N 3.33Å; Q1431-V1434 HydrophobicContact CB-CG2 3.76Å; Q1431-V1434 HydrophobicContact CG-CG2 3.83Å | ||
| 1435 | L | 26.4 | Very low | 25.2 | Very low | 145.6 Ų | 145.6 | 137.5 Ų | 137.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -74.7 | 145.7 | 172.4 | -146.9 | 76.2 | 0 | 0 | 0 | 110.8 | N1437 | L1435-N1437 PolarHBondContact O-N 3.07Š| ||
| 1436 | P | 25.5 | Very low | 25.4 | Very low | 112.2 Ų | 112.2 | 136.3 Ų | 136.3 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | -103.3 | 118.2 | 158.2 | 8.6 | 4.5 | 0 | 0 | 0 | 112.8 | T1438 | P1436-T1438 PolarHBondContact O-N 2.9Å; P1436-T1438 VanDerWaalsContact O-N 3.11Å | ||
| 1437 | N | 24.6 | Very low | 25.6 | Very low | 129.2 Ų | 129.2 | 135.5 Ų | 135.5 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | 1.9 | 118.7 | 129.6 | -72.7 | -22.1 | 0 | 0 | 0 | 113.6 | L1435 T1439 | L1435-N1437 PolarHBondContact O-N 3.07Å; N1437-T1439 HydrophobicContact CB-CG2 4.32Å; N1437-T1439 PolarHBondContact O-N 3.11Å | |||
| 1438 | T | 25.5 | Very low | 25.9 | Very low | 121.4 Ų | 121.4 | 134.1 Ų | 134.1 | 75% | 0.745 | 74% | 0.738 | S | S | * | * | -128.8 | 122.5 | 126.1 | 36 | 0 | 0 | 0 | 0 | 109 | P1436 T1440 | P1436-T1438 PolarHBondContact O-N 2.9Å; P1436-T1438 VanDerWaalsContact O-N 3.11Å; T1438-T1440 VanDerWaalsContact C-N 3.34Å; T1438-T1440 PolarHBondContact O-N 2.73Å | |||
| 1439 | T | 25.1 | Very low | 26.1 | Very low | 118.2 Ų | 118.2 | 134.9 Ų | 134.9 | 73% | 0.725 | 74% | 0.74 | S | S | * | * | trans | 24.3 | 103.2 | 135.1 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | N1437 T1441 | N1437-T1439 HydrophobicContact CB-CG2 4.32Å; N1437-T1439 PolarHBondContact O-N 3.11Å; T1439-T1441 VanDerWaalsContact C-N 3.26Å; T1439-T1441 PolarHBondContact O-N 3.2Å | ||
| 1440 | T | 25.9 | Very low | 26.2 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -128.7 | 119.6 | 134.3 | 44.6 | 0 | 0 | 0 | 0 | 111.1 | T1438 N1442 | T1438-T1440 VanDerWaalsContact C-N 3.34Å; T1438-T1440 PolarHBondContact O-N 2.73Å; T1440-N1442 PolarHBondContact O-N 2.97Å | ||
| 1441 | T | 26.8 | Very low | 26.4 | Very low | 124.6 Ų | 124.6 | 137.6 Ų | 137.6 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -35.8 | 124 | 153.8 | 44.1 | 0 | 0 | 0 | 0 | 114 | T1439 N1443 | T1439-T1441 VanDerWaalsContact C-N 3.26Å; T1439-T1441 PolarHBondContact O-N 3.2Å; T1441-N1443 PolarHBondContact O-N 3.01Å | ||
| 1442 | N | 26.1 | Very low | 26.5 | Very low | 141.2 Ų | 141.2 | 134.2 Ų | 134.2 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -15.6 | 128.8 | 132.4 | -80.8 | -16.3 | 0 | 0 | 0 | 115.1 | T1440 | T1440-N1442 PolarHBondContact O-N 2.97Š| ||
| 1443 | N | 27.9 | Very low | 26.6 | Very low | 146.6 Ų | 146.6 | 135.6 Ų | 135.6 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | -170.6 | 129.1 | 115 | -102.1 | -17.3 | 0 | 0 | 0 | 113.7 | T1441 | T1441-N1443 PolarHBondContact O-N 3.01Š| |||
| 1444 | N | 27.3 | Very low | 26.7 | Very low | 130.2 Ų | 130.2 | 133.1 Ų | 133.1 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | trans | 15.6 | 129.7 | 158.5 | -61.1 | -21.4 | 0 | 0 | 0 | 117 | ||||
| 1445 | N | 29.3 | Very low | 26.9 | Very low | 146.6 Ų | 146.6 | 133.8 Ų | 133.8 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | 123.9 | 114.9 | 132.9 | -73.2 | -13.7 | 0 | 0 | 0 | 116.1 | ||||
| 1446 | N | 28.5 | Very low | 26.8 | Very low | 132.2 Ų | 132.2 | 134.8 Ų | 134.8 | 71% | 0.707 | 74% | 0.742 | S | S | * | * | trans | 43 | 130.4 | 145.4 | -66.5 | 3 | 0 | 0 | 0 | 116.6 | ||||
| 1447 | D | 30.5 | Very low | 26.8 | Very low | 140.2 Ų | 140.2 | 134 Ų | 134 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | 121.2 | 111.5 | 123.5 | -84.2 | -35.3 | 0 | 0 | 0 | 117.7 | |||||
| 1448 | N | 27.5 | Very low | 26.8 | Very low | 122.8 Ų | 122.8 | 138.8 Ų | 138.8 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | 36.8 | 118.8 | 145.2 | -74.4 | -61.6 | 0 | 0 | 0 | 116.8 | ||||
| 1449 | R | 28.2 | Very low | 26.8 | Very low | 224.4 Ų | 224.4 | 139.1 Ų | 139.1 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | 155 | 115.2 | 130.9 | -81.1 | 166.5 | -165.3 | -175 | 2.1 | 116 | ||||
| 1450 | N | 26.4 | Very low | 26.8 | Very low | 142.4 Ų | 142.4 | 139.4 Ų | 139.4 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | 21.2 | 130.6 | 140.4 | -67 | -11.4 | 0 | 0 | 0 | 118.5 | ||||
| 1451 | I | 26.6 | Very low | 26.7 | Very low | 156.8 Ų | 156.8 | 139.2 Ų | 139.2 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 129.1 | 105.7 | 143.8 | -61.6 | 172.3 | 0 | 0 | 0 | 112.6 | S1453 | I1451-S1453 PolarHBondContact O-N 3.24Š| ||
| 1452 | S | 26.7 | Very low | 26.7 | Very low | 92.2 Ų | 92.2 | 140.7 Ų | 140.7 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | trans | 103.1 | 135.4 | 136.4 | 66.5 | 0 | 0 | 0 | 0 | 118.1 | R1864 | S1452-R1864 VanDerWaalsContact C-CZ 3.43Å; S1452-R1864 PolarHBondContact O-NE 2.82Å; S1452-R1864 VanDerWaalsContact O-NE 3.11Å; S1452-R1864 PolarHBondContact O-NH1 2.98Å; S1452-R1864 PolarHBondContact O-NH2 2.92Å; S1452-R1864 VanDerWaalsContact OG-CZ 3.31Å; S1452-R1864 PolarHBondContact OG-NH1 3.3Å; S1452-R1864 PolarHBondContact OG-NH2 3.19Å | ||
| 1453 | S | 26.1 | Very low | 26.9 | Very low | 88.6 Ų | 88.6 | 139.2 Ų | 139.2 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | trans | 42.5 | 114.4 | 151.7 | 62.2 | 0 | 0 | 0 | 0 | 118.7 | I1451 R1864 | I1451-S1453 PolarHBondContact O-N 3.24Å; S1453-R1864 PolarHBondContact O-NE 2.78Å; S1453-R1864 VanDerWaalsContact O-NE 3.11Å; S1453-R1864 PolarHBondContact OG-NE 2.81Å; S1453-R1864 VanDerWaalsContact OG-NE 3.13Å; S1453-R1864 PolarHBondContact OG-NH2 2.91Å | ||
| 1454 | N | 26.5 | Very low | 26.9 | Very low | 137.4 Ų | 137.4 | 136.9 Ų | 136.9 | 74% | 0.735 | 72% | 0.721 | S | S | * | * | -167.9 | 136.6 | 103.4 | -88.3 | -13.1 | 0 | 0 | 0 | 113.4 | T1195 M1456 | T1195-N1454 WeakPolarHBondContact CG2-OD1 3.02Å; T1195-N1454 PolarHBondContact OG1-ND2 2.69Å; N1454-M1456 PolarHBondContact O-N 3.47Å | |||
| 1455 | T | 27.1 | Very low | 27 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | 68.6 | 94 | 155.7 | 33.8 | 0 | 0 | 0 | 0 | 116.1 | P1457 | T1455-P1457 WeakPolarHBondContact O-CD 3.15Š| ||
| 1456 | M | 25.4 | Very low | 27 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 82% | 0.823 | 69% | 0.693 | S | S | * | * | trans | -56.9 | 138.7 | 148.5 | -106.5 | -140 | 166.6 | 0 | 0 | 112.8 | D1193 N1454 R1458 | D1193-M1456 WeakPolarHBondContact O-CA 3.44Å; D1193-M1456 PolarHBondContact O-N 2.85Å; N1454-M1456 PolarHBondContact O-N 3.47Å; M1456-R1458 PolarHBondContact O-N 3.03Å | ||
| 1457 | P | 25.5 | Very low | 27 | Very low | 96.4 Ų | 96.4 | 129.7 Ų | 129.7 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | trans | -102.3 | 144 | 154.8 | 33.3 | -25.2 | 0 | 0 | 0 | 111.7 | T1191 T1192 T1455 T1459 | T1191-P1457 WeakPolarHBondContact O-CB 3.49Å; T1191-P1457 VanDerWaalsContact O-CG 3.25Å; T1191-P1457 WeakPolarHBondContact O-CG 3.08Å; T1192-P1457 WeakPolarHBondContact O-CD 3.4Å; T1192-P1457 VanDerWaalsContact O-CG 3.27Å; T1192-P1457 WeakPolarHBondContact O-CG 2.94Å; T1455-P1457 WeakPolarHBondContact O-CD 3.15Å; P1457-T1459 VanDerWaalsContact C-N 3.28Å; P1457-T1459 PolarHBondContact O-N 3.19Å | ||
| 1458 | R | 24.5 | Very low | 26.9 | Very low | 228.6 Ų | 228.6 | 128 Ų | 128 | 86% | 0.863 | 67% | 0.669 | S | S | * | * | trans | -38 | 118.8 | 159.2 | -86.4 | 176.1 | 179.9 | 162.7 | -0.1 | 113.6 | M1456 I1460 | M1456-R1458 PolarHBondContact O-N 3.03Å; R1458-I1460 VanDerWaalsContact C-N 3.34Å; R1458-I1460 PolarHBondContact O-N 3.12Å | ||
| 1459 | T | 24.3 | Very low | 27.1 | Very low | 127.8 Ų | 127.8 | 127.9 Ų | 127.9 | 78% | 0.784 | 67% | 0.668 | S | S | * | * | trans | -60.4 | 135.4 | 155.5 | 20.4 | 0 | 0 | 0 | 0 | 111.6 | P1457 D1461 | P1457-T1459 VanDerWaalsContact C-N 3.28Å; P1457-T1459 PolarHBondContact O-N 3.19Å; T1459-D1461 VanDerWaalsContact C-N 3.29Å; T1459-D1461 PolarHBondContact O-N 3.03Å | ||
| 1460 | I | 24.9 | Very low | 27.3 | Very low | 126.4 Ų | 126.4 | 121.7 Ų | 121.7 | 65% | 0.648 | 65% | 0.649 | S | S | * | * | trans | -109.9 | 129.9 | 171.7 | -61.7 | 176 | 0 | 0 | 0 | 107.4 | R1458 F1462 | R1458-I1460 VanDerWaalsContact C-N 3.34Å; R1458-I1460 PolarHBondContact O-N 3.12Å; I1460-F1462 VanDerWaalsContact C-N 3.31Å; I1460-F1462 HydrophobicContact CB-CD2 4.05Å; I1460-F1462 HydrophobicContact CB-CE1 4.15Å; I1460-F1462 HydrophobicContact CB-CE2 3.93Å; I1460-F1462 HydrophobicContact CB-CZ 4.01Å; I1460-F1462 HydrophobicContact CD1-CZ 4.36Å; I1460-F1462 HydrophobicContact CG2-CD1 3.97Å; I1460-F1462 HydrophobicContact CG2-CD2 3.79Å; I1460-F1462 HydrophobicContact CG2-CE1 3.88Å; I1460-F1462 HydrophobicContact CG2-CE2 3.71Å; I1460-F1462 HydrophobicContact CG2-CG 4.16Å; I1460-F1462 HydrophobicContact CG2-CZ 3.98Å; I1460-F1462 WeakPolarHBondContact O-CD2 3.37Å; I1460-F1462 PolarHBondContact O-N 2.98Å | ||
| 1461 | D | 24.4 | Very low | 27.5 | Very low | 122.4 Ų | 122.4 | 118.5 Ų | 118.5 | 66% | 0.655 | 63% | 0.631 | S | S | * | * | trans | -70 | 123.6 | 179.5 | -75.7 | -58.6 | 0 | 0 | 0 | 113.5 | T1459 T1463 T1464 | T1459-D1461 VanDerWaalsContact C-N 3.29Å; T1459-D1461 PolarHBondContact O-N 3.03Å; D1461-T1463 PolarHBondContact O-N 3.4Å; D1461-T1463 VanDerWaalsContact O-N 3.17Å; D1461-T1463 PolarHBondContact OD1-OG1 3.33Å; D1461-T1464 HydrophobicContact CB-CG2 4.17Å; D1461-T1464 PolarHBondContact O-N 3.18Å; D1461-T1464 PolarHBondContact O-OG1 3.31Å | ||
| 1462 | F | 27.7 | Very low | 27.8 | Very low | 156.6 Ų | 156.6 | 114.3 Ų | 114.3 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | trans | -96.7 | 0 | -179.3 | -80.6 | -77.1 | 0 | 0 | 0 | 114.8 | Y1405 I1460 T1464 N1465 F1468 | Y1405-F1462 HydrophobicContact CD2-CB 4.32Å; Y1405-F1462 HydrophobicContact CE2-CB 4.14Å; I1460-F1462 VanDerWaalsContact C-N 3.31Å; I1460-F1462 HydrophobicContact CB-CD2 4.05Å; I1460-F1462 HydrophobicContact CB-CE1 4.15Å; I1460-F1462 HydrophobicContact CB-CE2 3.93Å; I1460-F1462 HydrophobicContact CB-CZ 4.01Å; I1460-F1462 HydrophobicContact CD1-CZ 4.36Å; I1460-F1462 HydrophobicContact CG2-CD1 3.97Å; I1460-F1462 HydrophobicContact CG2-CD2 3.79Å; I1460-F1462 HydrophobicContact CG2-CE1 3.88Å; I1460-F1462 HydrophobicContact CG2-CE2 3.71Å; I1460-F1462 HydrophobicContact CG2-CG 4.16Å; I1460-F1462 HydrophobicContact CG2-CZ 3.98Å; I1460-F1462 WeakPolarHBondContact O-CD2 3.37Å; I1460-F1462 PolarHBondContact O-N 2.98Å; F1462-T1464 VanDerWaalsContact C-N 3.32Å; F1462-T1464 PolarHBondContact O-N 3.17Å; F1462-T1464 VanDerWaalsContact O-N 3.16Å; F1462-N1465 PolarHBondContact O-N 3.45Å; F1462-F1468 AromaticContact CD1-CE2 3.92Å; F1462-F1468 HydrophobicContact CD1-CE2 3.92Å; F1462-F1468 HydrophobicContact CD1-CZ 4.23Å; F1462-F1468 HydrophobicContact CE1-CE2 4.24Å | ||
| 1463 | T | 28.5 | Very low | 28.3 | Very low | 110.2 Ų | 110.2 | 115.4 Ų | 115.4 | 68% | 0.676 | 61% | 0.612 | S | S | * | * | 0 | 4.6 | 0 | 41.9 | 0 | 0 | 0 | 0 | 114.5 | F958 N1088 D1461 | F958-T1463 HydrophobicContact CE2-CG2 3.93Å; F958-T1463 HydrophobicContact CZ-CG2 4.05Å; N1088-T1463 WeakPolarHBondContact ND2-CG2 3.36Å; D1461-T1463 PolarHBondContact O-N 3.4Å; D1461-T1463 VanDerWaalsContact O-N 3.17Å; D1461-T1463 PolarHBondContact OD1-OG1 3.33Å | |||
| 1464 | T | 29.1 | Very low | 29 | Very low | 97.6 Ų | 97.6 | 115.5 Ų | 115.5 | 60% | 0.599 | 60% | 0.599 | S | S | * | * | trans | -143.8 | 42.5 | -166.7 | 51.8 | 0 | 0 | 0 | 0 | 115.9 | F958 D1461 F1462 N1466 | F958-T1464 WeakPolarHBondContact CD2-OG1 3.14Å; F958-T1464 HydrophobicContact CE2-CG2 4.38Å; F958-T1464 WeakPolarHBondContact CE2-OG1 3.41Å; F958-T1464 CarbonylContact O-C 3.15Å; F958-T1464 WeakPolarHBondContact O-CB 3.3Å; F958-T1464 PolarHBondContact O-OG1 3.31Å; D1461-T1464 HydrophobicContact CB-CG2 4.17Å; D1461-T1464 PolarHBondContact O-N 3.18Å; D1461-T1464 PolarHBondContact O-OG1 3.31Å; F1462-T1464 VanDerWaalsContact C-N 3.32Å; F1462-T1464 PolarHBondContact O-N 3.17Å; F1462-T1464 VanDerWaalsContact O-N 3.16Å; T1464-N1466 PolarHBondContact O-N 3.48Å | ||
| 1465 | N | 28.8 | Very low | 29.5 | Very low | 79.4 Ų | 79.4 | 110.8 Ų | 110.8 | 43% | 0.425 | 58% | 0.577 | S | S | . | * | trans | -113.3 | 0 | -177.2 | -111.7 | -20.1 | 0 | 0 | 0 | 114.5 | F958 F959 H1008 N1098 E1099 F1462 L1467 F1468 | F958-N1465 CarbonylContact C-O 3.01Å; F958-N1465 PolarHBondContact O-N 3.26Å; F959-N1465 CarbonylContact C-O 3.58Å; F959-N1465 VanDerWaalsContact C-O 3.24Å; F959-N1465 WeakPolarHBondContact CA-O 3.44Å; F959-N1465 PolarHBondContact N-O 3.5Å; H1008-N1465 PolarHBondContact O-ND2 3.3Å; N1098-N1465 PolarHBondContact O-OD1 3.04Å; E1099-N1465 VanDerWaalsContact CD-OD1 3.25Å; E1099-N1465 HydrophobicContact CG-CB 4.35Å; E1099-N1465 VanDerWaalsContact CG-CG 3.48Å; E1099-N1465 WeakPolarHBondContact CG-OD1 2.97Å; E1099-N1465 VanDerWaalsContact OE1-CB 3.23Å; E1099-N1465 WeakPolarHBondContact OE1-CB 3.47Å; E1099-N1465 VanDerWaalsContact OE1-CG 3.25Å; E1099-N1465 PolarHBondContact OE2-ND2 2.92Å; F1462-N1465 PolarHBondContact O-N 3.45Å; N1465-L1467 PolarHBondContact O-N 3.26Å; N1465-F1468 PolarHBondContact O-N 3.31Å | ||
| 1466 | N | 30.6 | Very low | 30.1 | Very low | 85.4 Ų | 85.4 | 108 Ų | 108 | 46% | 0.457 | 56% | 0.557 | S | S | . | * | 0 | 0 | 0 | -83.1 | -30.7 | 0 | 0 | 0 | 117.4 | F958 F959 L960 L1005 I1006 V1007 Y1019 N1098 T1363 T1464 F1468 N1469 Q1470 | F958-N1466 PolarHBondContact N-OD1 3.26Å; F958-N1466 VanDerWaalsContact N-OD1 3.13Å; F959-N1466 WeakPolarHBondContact CA-ND2 3.49Å; F959-N1466 WeakPolarHBondContact CD1-ND2 3.11Å; L960-N1466 HydrophobicContact CB-CB 4.16Å; L1005-N1466 VanDerWaalsContact C-CB 3.42Å; L1005-N1466 HydrophobicContact CB-CB 3.78Å; L1005-N1466 WeakPolarHBondContact CB-O 3.34Å; L1005-N1466 WeakPolarHBondContact CD1-O 3.4Å; L1005-N1466 VanDerWaalsContact O-CB 3.29Å; L1005-N1466 WeakPolarHBondContact O-CB 3.28Å; L1005-N1466 PolarHBondContact O-ND2 2.91Å; I1006-N1466 VanDerWaalsContact CA-CB 3.44Å; I1006-N1466 VanDerWaalsContact CA-ND2 3.33Å; I1006-N1466 WeakPolarHBondContact CA-ND2 3.38Å; V1007-N1466 PolarHBondContact N-OD1 2.87Å; Y1019-N1466 WeakPolarHBondContact CE1-O 3.47Å; N1098-N1466 WeakPolarHBondContact CB-O 3.07Å; T1363-N1466 HydrophobicContact CG2-CB 3.87Å; T1363-N1466 WeakPolarHBondContact CG2-ND2 3.33Å; T1363-N1466 WeakPolarHBondContact CG2-OD1 3.47Å; T1363-N1466 PolarHBondContact OG1-ND2 3.21Å; T1464-N1466 PolarHBondContact O-N 3.48Å; N1466-F1468 PolarHBondContact O-N 3.15Å; N1466-N1469 PolarHBondContact O-N 2.8Å; N1466-Q1470 PolarHBondContact O-NE2 3.1Å | |||
| 1467 | L | 28.6 | Very low | 30.9 | Very low | 93.8 Ų | 93.8 | 101.6 Ų | 101.6 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -93 | 152.3 | 0 | 0 | 0 | 118.4 | L1005 I1006 V1007 Y1019 F1023 I1096 D1097 N1098 N1465 N1469 Q1470 | L1005-L1467 HydrophobicContact CB-CB 3.7Å; L1005-L1467 HydrophobicContact CB-CD1 4.25Å; L1005-L1467 HydrophobicContact CB-CG 3.64Å; L1005-L1467 HydrophobicContact CD1-CB 4.15Å; L1005-L1467 HydrophobicContact CD2-CB 3.71Å; L1005-L1467 HydrophobicContact CD2-CD1 3.3Å; L1005-L1467 HydrophobicContact CD2-CG 3.65Å; L1005-L1467 HydrophobicContact CG-CB 4.04Å; L1005-L1467 HydrophobicContact CG-CD1 4.31Å; L1005-L1467 HydrophobicContact CG-CG 4.16Å; I1006-L1467 HydrophobicContact CB-CD2 4.07Å; I1006-L1467 VanDerWaalsContact N-CD2 3.3Å; I1006-L1467 VanDerWaalsContact N-CG 3.3Å; I1006-L1467 VanDerWaalsContact O-CA 3.32Å; I1006-L1467 WeakPolarHBondContact O-CA 3.44Å; I1006-L1467 VanDerWaalsContact O-CD2 3.32Å; I1006-L1467 WeakPolarHBondContact O-CD2 3.03Å; I1006-L1467 PolarHBondContact O-N 3.47Å; V1007-L1467 VanDerWaalsContact CG2-N 3.3Å; Y1019-L1467 HydrophobicContact CD1-CB 2.9Å; Y1019-L1467 HydrophobicContact CD1-CG 4.41Å; Y1019-L1467 WeakPolarHBondContact CD1-O 3.3Å; Y1019-L1467 HydrophobicContact CD2-CB 4.45Å; Y1019-L1467 WeakPolarHBondContact CD2-O 3.47Å; Y1019-L1467 HydrophobicContact CE1-CB 3.67Å; Y1019-L1467 WeakPolarHBondContact CE1-O 3.32Å; Y1019-L1467 WeakPolarHBondContact CE2-O 3.3Å; Y1019-L1467 VanDerWaalsContact CG-CA 3.5Å; Y1019-L1467 HydrophobicContact CG-CB 3.44Å; Y1019-L1467 VanDerWaalsContact CG-CB 3.44Å; Y1019-L1467 PolarHBondContact OH-O 2.88Å; F1023-L1467 HydrophobicContact CD2-CD1 3.67Å; F1023-L1467 HydrophobicContact CE2-CD1 3.66Å; F1023-L1467 HydrophobicContact CG-CD1 4.3Å; F1023-L1467 HydrophobicContact CZ-CD1 4.22Å; I1096-L1467 CarbonylContact C-O 3.59Å; I1096-L1467 WeakPolarHBondContact CA-O 3.47Å; D1097-L1467 CarbonylContact C-O 3.32Å; D1097-L1467 PolarHBondContact N-O 3.4Å; N1098-L1467 PolarHBondContact N-O 3.16Å; N1465-L1467 PolarHBondContact O-N 3.26Å; L1467-N1469 VanDerWaalsContact C-N 3.33Å; L1467-N1469 PolarHBondContact O-N 3.19Å; L1467-N1469 VanDerWaalsContact O-N 3.15Å; L1467-Q1470 WeakPolarHBondContact O-CB 3.41Å; L1467-Q1470 PolarHBondContact O-N 3.31Å; L1467-Q1470 VanDerWaalsContact O-N 3.11Å | |
| 1468 | F | 28.4 | Very low | 31.8 | Very low | 104.6 Ų | 104.6 | 99.9 Ų | 99.9 | 46% | 0.459 | 51% | 0.514 | S | S | . | . | G | 310 helix | 0 | -38.5 | 0 | -98.1 | -100.6 | 0 | 0 | 0 | 116.2 | N990 Y1019 H1026 N1095 Y1405 F1462 N1465 N1466 Q1470 I1471 | N990-F1468 HydrophobicContact CB-CE1 4.24Å; N990-F1468 HydrophobicContact CB-CE2 3.96Å; N990-F1468 HydrophobicContact CB-CZ 3.58Å; N990-F1468 WeakPolarHBondContact OD1-CE2 3.29Å; Y1019-F1468 HydrophobicContact CD2-CB 3.31Å; Y1019-F1468 VanDerWaalsContact CD2-O 3.23Å; Y1019-F1468 WeakPolarHBondContact CD2-O 3.37Å; Y1019-F1468 HydrophobicContact CE2-CB 4.47Å; Y1019-F1468 WeakPolarHBondContact CE2-O 3.49Å; Y1019-F1468 HydrophobicContact CG-CB 3.59Å; H1026-F1468 AromaticContact CD2-CD1 3.9Å; H1026-F1468 AromaticContact CD2-CE1 3.68Å; H1026-F1468 AromaticContact NE2-CE1 3.83Å; N1095-F1468 HydrophobicContact CB-CB 4.39Å; N1095-F1468 WeakPolarHBondContact ND2-CD1 3.07Å; Y1405-F1468 HydrophobicContact CD1-CD1 4.39Å; Y1405-F1468 AromaticContact CD1-CE1 3.81Å; Y1405-F1468 HydrophobicContact CD1-CE1 3.81Å; Y1405-F1468 AromaticContact CD2-CE1 3.87Å; Y1405-F1468 HydrophobicContact CD2-CE1 3.87Å; Y1405-F1468 AromaticContact CD2-CZ 3.89Å; Y1405-F1468 HydrophobicContact CD2-CZ 3.89Å; Y1405-F1468 HydrophobicContact CE1-CD1 4.39Å; Y1405-F1468 HydrophobicContact CE1-CE1 4.18Å; Y1405-F1468 HydrophobicContact CE2-CE1 4.32Å; Y1405-F1468 HydrophobicContact CE2-CZ 4.33Å; Y1405-F1468 AromaticContact CG-CE1 3.65Å; Y1405-F1468 HydrophobicContact CG-CE1 3.65Å; Y1405-F1468 HydrophobicContact CG-CZ 4.06Å; Y1405-F1468 WeakPolarHBondContact OH-CE1 3.21Å; F1462-F1468 AromaticContact CD1-CE2 3.92Å; F1462-F1468 HydrophobicContact CD1-CE2 3.92Å; F1462-F1468 HydrophobicContact CD1-CZ 4.23Å; F1462-F1468 HydrophobicContact CE1-CE2 4.24Å; N1465-F1468 PolarHBondContact O-N 3.31Å; N1466-F1468 PolarHBondContact O-N 3.15Å; F1468-Q1470 PolarHBondContact O-N 2.98Å; F1468-Q1470 VanDerWaalsContact O-N 3.1Å; F1468-I1471 HydrophobicContact CB-CD1 4.48Å; F1468-I1471 HydrophobicContact CD1-CD1 3.83Å; F1468-I1471 HydrophobicContact CE1-CD1 3.88Å; F1468-I1471 HydrophobicContact CG-CD1 4.19Å; F1468-I1471 PolarHBondContact O-N 3.21Å; F1468-I1471 VanDerWaalsContact O-N 3.13Å | |
| 1469 | N | 30.3 | Very low | 32.8 | Very low | 119.2 Ų | 119.2 | 91.2 Ų | 91.2 | 64% | 0.637 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -84.4 | 20.2 | 176 | -66.7 | -26 | 0 | 0 | 0 | 113.3 | N1095 T1363 I1408 N1466 L1467 | N1095-N1469 WeakPolarHBondContact CB-O 3.41Å; N1095-N1469 PolarHBondContact ND2-O 3.39Å; T1363-N1469 HydrophobicContact CG2-CB 4.34Å; I1408-N1469 HydrophobicContact CD1-CB 4.45Å; I1408-N1469 VanDerWaalsContact CD1-OD1 3.28Å; I1408-N1469 WeakPolarHBondContact CD1-OD1 3.45Å; N1466-N1469 PolarHBondContact O-N 2.8Å; L1467-N1469 VanDerWaalsContact C-N 3.33Å; L1467-N1469 PolarHBondContact O-N 3.19Å; L1467-N1469 VanDerWaalsContact O-N 3.15Å |
| 1470 | Q | 31.9 | Very low | 33.9 | Very low | 94.8 Ų | 94.8 | 87.7 Ų | 87.7 | 44% | 0.443 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -124 | 13.9 | 172.8 | -68.1 | -172.8 | 14.7 | 0 | 0 | 112.9 | N1022 H1093 H1094 N1095 Q1307 S1362 N1466 L1467 F1468 P1472 | N1022-Q1470 PolarHBondContact ND2-OE1 3.07Å; N1022-Q1470 PolarHBondContact OD1-OE1 2.92Å; H1093-Q1470 VanDerWaalsContact CA-OE1 3.26Å; H1093-Q1470 VanDerWaalsContact CD2-CD 3.49Å; H1093-Q1470 VanDerWaalsContact CD2-CG 3.42Å; H1093-Q1470 WeakPolarHBondContact CD2-CG 3.48Å; H1093-Q1470 VanDerWaalsContact CE1-C 3.46Å; H1093-Q1470 WeakPolarHBondContact NE2-CG 3.27Å; H1094-Q1470 CarbonylContact C-O 2.83Å; H1094-Q1470 WeakPolarHBondContact CA-O 3.22Å; H1094-Q1470 PolarHBondContact ND1-O 3.47Å; N1095-Q1470 HydrophobicContact CB-CB 3.89Å; N1095-Q1470 PolarHBondContact N-O 3.12Å; N1095-Q1470 PolarHBondContact O-N 2.77Å; Q1307-Q1470 PolarHBondContact NE2-O 3.19Å; S1362-Q1470 PolarHBondContact OG-NE2 3.49Å; N1466-Q1470 PolarHBondContact O-NE2 3.1Å; L1467-Q1470 WeakPolarHBondContact O-CB 3.41Å; L1467-Q1470 PolarHBondContact O-N 3.31Å; L1467-Q1470 VanDerWaalsContact O-N 3.11Å; F1468-Q1470 PolarHBondContact O-N 2.98Å; F1468-Q1470 VanDerWaalsContact O-N 3.1Å; Q1470-P1472 WeakPolarHBondContact O-CD 3.47Å |
| 1471 | I | 30.7 | Very low | 34.9 | Very low | 76.2 Ų | 76.2 | 82.5 Ų | 82.5 | 39% | 0.391 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -95.6 | 126.7 | 172.8 | -61.5 | 177.7 | 0 | 0 | 0 | 107.8 | H1093 V1402 Y1405 F1468 D1473 | H1093-I1471 VanDerWaalsContact CE1-C 3.41Å; H1093-I1471 PolarHBondContact CE1-N 2.83Å; H1093-I1471 VanDerWaalsContact CE1-N 3.31Å; V1402-I1471 HydrophobicContact CB-CG2 4.16Å; V1402-I1471 HydrophobicContact CG1-CG2 3.64Å; V1402-I1471 HydrophobicContact CG2-CG2 3.42Å; V1402-I1471 VanDerWaalsContact CG2-CG2 3.42Å; Y1405-I1471 WeakPolarHBondContact CE2-O 3.03Å; Y1405-I1471 WeakPolarHBondContact OH-CD1 3.26Å; Y1405-I1471 PolarHBondContact OH-O 3.03Å; F1468-I1471 HydrophobicContact CB-CD1 4.48Å; F1468-I1471 HydrophobicContact CD1-CD1 3.83Å; F1468-I1471 HydrophobicContact CE1-CD1 3.88Å; F1468-I1471 HydrophobicContact CG-CD1 4.19Å; F1468-I1471 PolarHBondContact O-N 3.21Å; F1468-I1471 VanDerWaalsContact O-N 3.13Å; I1471-D1473 PolarHBondContact O-N 3.34Å |
| 1472 | P | 34.4 | Very low | 36.1 | Very low | 68.2 Ų | 68.2 | 79.3 Ų | 79.3 | 44% | 0.443 | 42% | 0.419 | S | S | . | . | trans | -65.1 | 145.8 | -179.7 | 7.2 | -6.8 | 0 | 0 | 0 | 112 | Y1405 Q1470 W1474 | Y1405-P1472 WeakPolarHBondContact CE2-O 3.2Å; Y1405-P1472 VanDerWaalsContact CZ-O 3.31Å; Y1405-P1472 PolarHBondContact OH-O 3.1Å; Q1470-P1472 WeakPolarHBondContact O-CD 3.47Å; P1472-W1474 PolarHBondContact O-N 3Å; P1472-W1474 PolarHBondContact O-NE1 3.24Å | ||
| 1473 | D | 37.5 | Very low | 37.1 | Very low | 113.8 Ų | 113.8 | 75.7 Ų | 75.7 | 61% | 0.609 | 41% | 0.406 | S | S | * | . | trans | -66.9 | 106.2 | 179.7 | -109.7 | -32.6 | 0 | 0 | 0 | 111.7 | Y1405 H1406 K1409 I1471 S1475 D1476 S1477 | Y1405-D1473 WeakPolarHBondContact OH-CA 3.37Å; Y1405-D1473 PolarHBondContact OH-N 2.95Å; Y1405-D1473 PolarHBondContact OH-OD1 3.31Å; H1406-D1473 IonicContact CE1-OD1 2.76Å; H1406-D1473 PolarHBondContact CE1-OD1 2.96Å; H1406-D1473 IonicContact NE2-OD1 3.67Å; K1409-D1473 IonicContact NZ-OD1 3.4Å; K1409-D1473 PolarHBondContact NZ-OD1 3.35Å; I1471-D1473 PolarHBondContact O-N 3.34Å; D1473-S1475 PolarHBondContact O-N 3.05Å; D1473-S1475 VanDerWaalsContact O-N 3.1Å; D1473-S1475 PolarHBondContact O-OG 2.91Å; D1473-S1475 PolarHBondContact OD1-N 3.12Å; D1473-S1475 PolarHBondContact OD1-OG 3.34Å; D1473-S1475 WeakPolarHBondContact OD2-CB 3.29Å; D1473-S1475 PolarHBondContact OD2-OG 3.49Å; D1473-D1476 WeakPolarHBondContact O-CB 3.14Å; D1473-D1476 PolarHBondContact O-N 3.14Å; D1473-D1476 VanDerWaalsContact O-N 3.14Å; D1473-S1477 PolarHBondContact O-N 3.4Å | ||
| 1474 | W | 39.2 | Very low | 38 | Very low | 91 Ų | 91 | 72.9 Ų | 72.9 | 35% | 0.345 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.7 | -5.6 | 177.9 | -78.7 | 72.4 | 0 | 0 | 0 | 112.7 | L1308 Q1390 Y1393 Y1405 H1406 P1472 D1476 S1477 I1478 I1480 H1704 H1707 | L1308-W1474 HydrophobicContact CD1-CH2 4.13Å; Q1390-W1474 VanDerWaalsContact NE2-CZ3 3.33Å; Y1393-W1474 HydrophobicContact CD1-CH2 4.44Å; Y1393-W1474 HydrophobicContact CD1-CZ3 4.18Å; Y1393-W1474 AromaticContact CE1-CH2 3.66Å; Y1393-W1474 HydrophobicContact CE1-CH2 3.66Å; Y1393-W1474 AromaticContact CE1-CZ3 3.82Å; Y1393-W1474 HydrophobicContact CE1-CZ3 3.82Å; Y1405-W1474 HydrophobicContact CD2-CB 4.44Å; Y1405-W1474 AromaticContact CE1-CD1 3.97Å; Y1405-W1474 AromaticContact CE2-CD1 3.98Å; H1406-W1474 HydrophobicContact CB-CE3 4.39Å; P1472-W1474 PolarHBondContact O-N 3Å; P1472-W1474 PolarHBondContact O-NE1 3.24Å; W1474-D1476 PolarHBondContact O-N 3.14Å; W1474-D1476 VanDerWaalsContact O-N 3.16Å; W1474-S1477 WeakPolarHBondContact O-CB 3.43Å; W1474-S1477 PolarHBondContact O-N 3.21Å; W1474-S1477 PolarHBondContact O-OG 2.96Å; W1474-I1478 HydrophobicContact CB-CD1 4.09Å; W1474-I1478 HydrophobicContact CD2-CD1 4.01Å; W1474-I1478 HydrophobicContact CG-CD1 4.3Å; W1474-I1478 HydrophobicContact CZ2-CD1 4.17Å; W1474-I1478 WeakPolarHBondContact O-CB 3.42Å; W1474-I1478 WeakPolarHBondContact O-CD1 3.5Å; W1474-I1478 VanDerWaalsContact O-CG1 3.31Å; W1474-I1478 WeakPolarHBondContact O-CG1 3.4Å; W1474-I1478 PolarHBondContact O-N 3.01Å; W1474-I1478 VanDerWaalsContact O-N 3.11Å; W1474-I1480 HydrophobicContact CE3-CD1 4.05Å; W1474-I1480 HydrophobicContact CZ3-CD1 3.82Å; W1474-H1704 AromaticContact NE1-ND1 3.47Å; W1474-H1704 PolarHBondContact NE1-ND1 3.32Å; W1474-H1707 HydrophobicContact CH2-CB 4.49Å; W1474-H1707 AromaticContact CH2-CD2 3.59Å; W1474-H1707 AromaticContact CH2-CE1 3.55Å; W1474-H1707 AromaticContact CH2-CG 3.65Å; W1474-H1707 AromaticContact CH2-ND1 3.62Å; W1474-H1707 AromaticContact CH2-NE2 3.53Å; W1474-H1707 HydrophobicContact CZ2-CB 4.14Å; W1474-H1707 AromaticContact CZ2-CG 3.69Å; W1474-H1707 AromaticContact CZ2-ND1 3.66Å |
| 1475 | S | 37.4 | Very low | 39 | Very low | 40.2 Ų | 40.2 | 70.4 Ų | 70.4 | 28% | 0.281 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.4 | -35.2 | 171.1 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | E1377 N1378 D1473 S1477 I1478 T1479 | E1377-S1475 CarbonylContact C-O 3.58Å; E1377-S1475 WeakPolarHBondContact CA-O 3.02Å; N1378-S1475 PolarHBondContact N-O 3.25Å; D1473-S1475 PolarHBondContact O-N 3.05Å; D1473-S1475 VanDerWaalsContact O-N 3.1Å; D1473-S1475 PolarHBondContact O-OG 2.91Å; D1473-S1475 PolarHBondContact OD1-N 3.12Å; D1473-S1475 PolarHBondContact OD1-OG 3.34Å; D1473-S1475 WeakPolarHBondContact OD2-CB 3.29Å; D1473-S1475 PolarHBondContact OD2-OG 3.49Å; S1475-S1477 VanDerWaalsContact C-N 3.3Å; S1475-S1477 PolarHBondContact O-N 3.18Å; S1475-S1477 VanDerWaalsContact O-N 3.14Å; S1475-I1478 WeakPolarHBondContact O-CB 3.21Å; S1475-I1478 PolarHBondContact O-N 3.09Å; S1475-T1479 VanDerWaalsContact O-CB 3.22Å; S1475-T1479 WeakPolarHBondContact O-CB 3.37Å; S1475-T1479 PolarHBondContact O-N 2.95Å; S1475-T1479 VanDerWaalsContact O-N 3.16Å; S1475-T1479 PolarHBondContact O-OG1 3.06Å |
| 1476 | D | 40.2 | Very low | 40 | Very low | 68.8 Ų | 68.8 | 72.4 Ų | 72.4 | 37% | 0.368 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.7 | -23.4 | 178.5 | -76.4 | -13 | 0 | 0 | 0 | 112.3 | E1377 N1378 Y1387 D1473 W1474 I1478 T1479 I1480 | E1377-D1476 WeakPolarHBondContact CG-O 3.47Å; N1378-D1476 CarbonylContact C-O 3.52Å; N1378-D1476 PolarHBondContact N-O 3Å; N1378-D1476 VanDerWaalsContact O-CB 3.29Å; N1378-D1476 WeakPolarHBondContact O-CB 3.21Å; Y1387-D1476 WeakPolarHBondContact CE1-O 3.12Å; Y1387-D1476 PolarHBondContact OH-O 3.42Å; D1473-D1476 WeakPolarHBondContact O-CB 3.14Å; D1473-D1476 PolarHBondContact O-N 3.14Å; D1473-D1476 VanDerWaalsContact O-N 3.14Å; W1474-D1476 PolarHBondContact O-N 3.14Å; W1474-D1476 VanDerWaalsContact O-N 3.16Å; D1476-I1478 VanDerWaalsContact C-N 3.3Å; D1476-I1478 PolarHBondContact O-N 3.15Å; D1476-T1479 WeakPolarHBondContact CA-OG1 3.38Å; D1476-T1479 CarbonylContact O-C 3.58Å; D1476-T1479 WeakPolarHBondContact O-CA 3.42Å; D1476-T1479 WeakPolarHBondContact O-CB 3.31Å; D1476-T1479 PolarHBondContact O-N 3.26Å; D1476-T1479 VanDerWaalsContact O-N 3.08Å; D1476-T1479 PolarHBondContact O-OG1 2.99Å; D1476-T1479 PolarHBondContact OD1-OG1 3.23Å; D1476-I1480 HydrophobicContact CB-CD1 4.43Å; D1476-I1480 HydrophobicContact CB-CG1 4.5Å; D1476-I1480 VanDerWaalsContact O-CB 3.28Å; D1476-I1480 WeakPolarHBondContact O-CB 3.37Å; D1476-I1480 WeakPolarHBondContact O-CD1 3.31Å; D1476-I1480 WeakPolarHBondContact O-CG1 3.31Å; D1476-I1480 PolarHBondContact O-N 3.14Å |
| 1477 | S | 41.8 | Very low | 40.7 | Very low | 32.6 Ų | 32.6 | 70.5 Ų | 70.5 | 23% | 0.228 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -74.8 | -30.1 | 179.1 | -129 | 0 | 0 | 0 | 0 | 113.6 | E1377 Y1387 Q1390 D1473 W1474 S1475 T1479 I1480 T1481 H1704 | E1377-S1477 VanDerWaalsContact OE2-O 3.11Å; Y1387-S1477 WeakPolarHBondContact CE2-OG 3.32Å; Y1387-S1477 VanDerWaalsContact CZ-OG 3.24Å; Q1390-S1477 PolarHBondContact NE2-OG 2.93Å; Q1390-S1477 VanDerWaalsContact NE2-OG 3.12Å; D1473-S1477 PolarHBondContact O-N 3.4Å; W1474-S1477 WeakPolarHBondContact O-CB 3.43Å; W1474-S1477 PolarHBondContact O-N 3.21Å; W1474-S1477 PolarHBondContact O-OG 2.96Å; S1475-S1477 VanDerWaalsContact C-N 3.3Å; S1475-S1477 PolarHBondContact O-N 3.18Å; S1475-S1477 VanDerWaalsContact O-N 3.14Å; S1477-T1479 VanDerWaalsContact C-N 3.31Å; S1477-T1479 PolarHBondContact O-N 2.99Å; S1477-I1480 PolarHBondContact O-N 3.01Å; S1477-T1481 WeakPolarHBondContact O-CB 3.38Å; S1477-T1481 PolarHBondContact O-N 3.14Å; S1477-T1481 PolarHBondContact O-OG1 2.93Å; S1477-H1704 PolarHBondContact OG-CE1 2.74Å |
| 1478 | I | 45.4 | Very low | 41.5 | Very low | 59.8 Ų | 59.8 | 67.2 Ų | 67.2 | 31% | 0.307 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.6 | -41.2 | 176.6 | -65.7 | 168.1 | 0 | 0 | 0 | 111.8 | N1375 L1376 E1377 V1402 W1474 S1475 D1476 I1480 T1481 L1482 H1707 V1708 L1711 | N1375-I1478 HydrophobicContact CB-CG2 3.77Å; L1376-I1478 CarbonylContact O-C 3.39Å; L1376-I1478 WeakPolarHBondContact O-CA 3.1Å; L1376-I1478 WeakPolarHBondContact O-CB 2.95Å; L1376-I1478 VanDerWaalsContact O-CG2 3.28Å; L1376-I1478 WeakPolarHBondContact O-CG2 3.37Å; E1377-I1478 VanDerWaalsContact CG-N 3.26Å; E1377-I1478 WeakPolarHBondContact OE2-CA 3.28Å; E1377-I1478 PolarHBondContact OE2-N 3.15Å; V1402-I1478 HydrophobicContact CG1-CB 4.34Å; V1402-I1478 HydrophobicContact CG1-CD1 3.93Å; V1402-I1478 HydrophobicContact CG1-CG1 4.09Å; V1402-I1478 HydrophobicContact CG1-CG2 3.31Å; W1474-I1478 HydrophobicContact CB-CD1 4.09Å; W1474-I1478 HydrophobicContact CD2-CD1 4.01Å; W1474-I1478 HydrophobicContact CG-CD1 4.3Å; W1474-I1478 HydrophobicContact CZ2-CD1 4.17Å; W1474-I1478 WeakPolarHBondContact O-CB 3.42Å; W1474-I1478 WeakPolarHBondContact O-CD1 3.5Å; W1474-I1478 VanDerWaalsContact O-CG1 3.31Å; W1474-I1478 WeakPolarHBondContact O-CG1 3.4Å; W1474-I1478 PolarHBondContact O-N 3.01Å; W1474-I1478 VanDerWaalsContact O-N 3.11Å; S1475-I1478 WeakPolarHBondContact O-CB 3.21Å; S1475-I1478 PolarHBondContact O-N 3.09Å; D1476-I1478 VanDerWaalsContact C-N 3.3Å; D1476-I1478 PolarHBondContact O-N 3.15Å; I1478-I1480 PolarHBondContact O-N 3.12Å; I1478-T1481 PolarHBondContact O-N 3.24Å; I1478-L1482 HydrophobicContact CG2-CD1 3.97Å; I1478-L1482 HydrophobicContact CG2-CG 4.33Å; I1478-L1482 VanDerWaalsContact O-CB 3.31Å; I1478-L1482 WeakPolarHBondContact O-CB 3.41Å; I1478-L1482 VanDerWaalsContact O-CG 3.25Å; I1478-L1482 WeakPolarHBondContact O-CG 3.32Å; I1478-L1482 PolarHBondContact O-N 3.11Å; I1478-H1707 HydrophobicContact CD1-CB 3.83Å; I1478-H1707 HydrophobicContact CG1-CB 4.28Å; I1478-V1708 HydrophobicContact CB-CG2 4.26Å; I1478-V1708 HydrophobicContact CG2-CB 4.3Å; I1478-V1708 HydrophobicContact CG2-CG2 3.75Å; I1478-L1711 HydrophobicContact CG2-CB 4.02Å; I1478-L1711 HydrophobicContact CG2-CD2 3.62Å; I1478-L1711 HydrophobicContact CG2-CG 4.46Å |
| 1479 | T | 45.4 | Very low | 42.4 | Very low | 46 Ų | 46 | 63.1 Ų | 63.1 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.1 | -30.3 | 177.2 | -27.7 | 0 | 0 | 0 | 0 | 114.6 | N1375 L1376 E1377 S1475 D1476 S1477 L1482 L1483 | N1375-T1479 HydrophobicContact CB-CG2 4.47Å; N1375-T1479 VanDerWaalsContact O-CG2 3.29Å; N1375-T1479 WeakPolarHBondContact O-CG2 3.4Å; L1376-T1479 VanDerWaalsContact CA-OG1 3.23Å; L1376-T1479 WeakPolarHBondContact CA-OG1 2.95Å; L1376-T1479 PolarHBondContact O-N 2.89Å; E1377-T1479 VanDerWaalsContact CB-C 3.41Å; E1377-T1479 VanDerWaalsContact CB-CA 3.49Å; E1377-T1479 PolarHBondContact N-OG1 3.17Å; E1377-T1479 WeakPolarHBondContact OE2-CA 3.07Å; E1377-T1479 PolarHBondContact OE2-N 2.84Å; S1475-T1479 VanDerWaalsContact O-CB 3.22Å; S1475-T1479 WeakPolarHBondContact O-CB 3.37Å; S1475-T1479 PolarHBondContact O-N 2.95Å; S1475-T1479 VanDerWaalsContact O-N 3.16Å; S1475-T1479 PolarHBondContact O-OG1 3.06Å; D1476-T1479 WeakPolarHBondContact CA-OG1 3.38Å; D1476-T1479 CarbonylContact O-C 3.58Å; D1476-T1479 WeakPolarHBondContact O-CA 3.42Å; D1476-T1479 WeakPolarHBondContact O-CB 3.31Å; D1476-T1479 PolarHBondContact O-N 3.26Å; D1476-T1479 VanDerWaalsContact O-N 3.08Å; D1476-T1479 PolarHBondContact O-OG1 2.99Å; D1476-T1479 PolarHBondContact OD1-OG1 3.23Å; S1477-T1479 VanDerWaalsContact C-N 3.31Å; S1477-T1479 PolarHBondContact O-N 2.99Å; T1479-L1482 VanDerWaalsContact C-N 3.33Å; T1479-L1482 VanDerWaalsContact CB-CB 3.46Å; T1479-L1482 HydrophobicContact CG2-CB 3.53Å; T1479-L1482 HydrophobicContact CG2-CD1 3.39Å; T1479-L1482 HydrophobicContact CG2-CG 4.06Å; T1479-L1482 CarbonylContact O-C 3.55Å; T1479-L1482 PolarHBondContact O-N 3.16Å; T1479-L1483 HydrophobicContact CG2-CD1 4.11Å; T1479-L1483 HydrophobicContact CG2-CG 4.37Å; T1479-L1483 WeakPolarHBondContact O-CB 3.43Å; T1479-L1483 WeakPolarHBondContact O-CD1 3.41Å; T1479-L1483 WeakPolarHBondContact O-CG 3.23Å; T1479-L1483 PolarHBondContact O-N 3.11Å; T1479-L1483 VanDerWaalsContact O-N 3.09Å |
| 1480 | I | 46 | Very low | 43.3 | Very low | 55.2 Ų | 55.2 | 59.3 Ų | 59.3 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -73 | -40.7 | 171.2 | -75.6 | 167.5 | 0 | 0 | 0 | 110.4 | E1377 N1378 Y1387 W1474 D1476 S1477 I1478 L1482 L1483 L1484 | E1377-I1480 HydrophobicContact CB-CB 4.24Å; E1377-I1480 VanDerWaalsContact CD-CA 3.42Å; E1377-I1480 HydrophobicContact CG-CB 4.1Å; E1377-I1480 WeakPolarHBondContact OE1-CA 3.03Å; E1377-I1480 WeakPolarHBondContact OE1-CB 3.33Å; E1377-I1480 WeakPolarHBondContact OE1-CG2 3.11Å; E1377-I1480 PolarHBondContact OE1-N 3.47Å; E1377-I1480 VanDerWaalsContact OE1-N 3.15Å; E1377-I1480 WeakPolarHBondContact OE2-CA 3.38Å; E1377-I1480 PolarHBondContact OE2-N 2.61Å; N1378-I1480 WeakPolarHBondContact OD1-CD1 3.21Å; Y1387-I1480 HydrophobicContact CD1-CG2 4.38Å; W1474-I1480 HydrophobicContact CE3-CD1 4.05Å; W1474-I1480 HydrophobicContact CZ3-CD1 3.82Å; D1476-I1480 HydrophobicContact CB-CD1 4.43Å; D1476-I1480 HydrophobicContact CB-CG1 4.5Å; D1476-I1480 VanDerWaalsContact O-CB 3.28Å; D1476-I1480 WeakPolarHBondContact O-CB 3.37Å; D1476-I1480 WeakPolarHBondContact O-CD1 3.31Å; D1476-I1480 WeakPolarHBondContact O-CG1 3.31Å; D1476-I1480 PolarHBondContact O-N 3.14Å; S1477-I1480 PolarHBondContact O-N 3.01Å; I1478-I1480 PolarHBondContact O-N 3.12Å; I1480-L1482 VanDerWaalsContact C-N 3.3Å; I1480-L1482 PolarHBondContact O-N 3.27Å; I1480-L1483 VanDerWaalsContact CA-CB 3.5Å; I1480-L1483 HydrophobicContact CB-CB 4.22Å; I1480-L1483 HydrophobicContact CD1-CD1 4.48Å; I1480-L1483 HydrophobicContact CG1-CB 3.74Å; I1480-L1483 HydrophobicContact CG1-CD1 3.68Å; I1480-L1483 HydrophobicContact CG1-CG 4.24Å; I1480-L1483 CarbonylContact O-C 3.44Å; I1480-L1483 WeakPolarHBondContact O-CA 3.21Å; I1480-L1483 PolarHBondContact O-N 3.16Å; I1480-L1484 HydrophobicContact CG2-CD1 3.94Å; I1480-L1484 HydrophobicContact CG2-CG 4.37Å; I1480-L1484 WeakPolarHBondContact O-CB 3.35Å; I1480-L1484 WeakPolarHBondContact O-CD1 3.49Å; I1480-L1484 VanDerWaalsContact O-CG 3.25Å; I1480-L1484 WeakPolarHBondContact O-CG 3.3Å; I1480-L1484 PolarHBondContact O-N 3.12Å |
| 1481 | T | 47.5 | Very low | 44 | Very low | 16.4 Ų | 16.4 | 58 Ų | 58 | 10% | 0.101 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 169.7 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | E1377 V1391 C1394 S1477 I1478 L1483 L1484 L1485 L1493 Y1565 H1704 V1708 | E1377-T1481 VanDerWaalsContact CD-N 3.3Å; E1377-T1481 PolarHBondContact OE1-N 2.88Å; E1377-T1481 VanDerWaalsContact OE1-N 3.08Å; E1377-T1481 VanDerWaalsContact OE2-CB 3.24Å; E1377-T1481 WeakPolarHBondContact OE2-CB 3.08Å; E1377-T1481 PolarHBondContact OE2-N 3.35Å; E1377-T1481 PolarHBondContact OE2-OG1 3.33Å; V1391-T1481 HydrophobicContact CB-CG2 4.39Å; V1391-T1481 HydrophobicContact CG2-CG2 3.76Å; V1391-T1481 WeakPolarHBondContact CG2-OG1 3.24Å; C1394-T1481 HydrophobicContact CB-CG2 4.32Å; S1477-T1481 WeakPolarHBondContact O-CB 3.38Å; S1477-T1481 PolarHBondContact O-N 3.14Å; S1477-T1481 PolarHBondContact O-OG1 2.93Å; I1478-T1481 PolarHBondContact O-N 3.24Å; T1481-L1483 VanDerWaalsContact C-N 3.26Å; T1481-L1483 PolarHBondContact O-N 3.19Å; T1481-L1484 WeakPolarHBondContact O-CB 3.4Å; T1481-L1484 PolarHBondContact O-N 3.19Å; T1481-L1485 HydrophobicContact CG2-CD1 4.15Å; T1481-L1485 WeakPolarHBondContact O-CB 3.43Å; T1481-L1485 WeakPolarHBondContact O-CD1 3.33Å; T1481-L1485 WeakPolarHBondContact O-CG 3.31Å; T1481-L1485 PolarHBondContact O-N 3.19Å; T1481-L1485 VanDerWaalsContact O-N 3.13Å; T1481-L1493 HydrophobicContact CG2-CD1 3.96Å; T1481-L1493 HydrophobicContact CG2-CD2 4.09Å; T1481-Y1565 HydrophobicContact CG2-CD1 4.34Å; T1481-Y1565 HydrophobicContact CG2-CE1 4.03Å; T1481-H1704 PolarHBondContact OG1-NE2 2.9Å; T1481-V1708 HydrophobicContact CG2-CG1 4.23Å; T1481-V1708 HydrophobicContact CG2-CG2 3.88Å |
| 1482 | L | 48.8 | Very low | 44.8 | Very low | 54.8 Ų | 54.8 | 58.4 Ų | 58.4 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -36.5 | 173.7 | -107.2 | 152.9 | 0 | 0 | 0 | 112.2 | I1478 T1479 I1480 L1484 L1485 R1486 V1708 L1711 T1712 I1717 W1726 | I1478-L1482 HydrophobicContact CG2-CD1 3.97Å; I1478-L1482 HydrophobicContact CG2-CG 4.33Å; I1478-L1482 VanDerWaalsContact O-CB 3.31Å; I1478-L1482 WeakPolarHBondContact O-CB 3.41Å; I1478-L1482 VanDerWaalsContact O-CG 3.25Å; I1478-L1482 WeakPolarHBondContact O-CG 3.32Å; I1478-L1482 PolarHBondContact O-N 3.11Å; T1479-L1482 VanDerWaalsContact C-N 3.33Å; T1479-L1482 VanDerWaalsContact CB-CB 3.46Å; T1479-L1482 HydrophobicContact CG2-CB 3.53Å; T1479-L1482 HydrophobicContact CG2-CD1 3.39Å; T1479-L1482 HydrophobicContact CG2-CG 4.06Å; T1479-L1482 CarbonylContact O-C 3.55Å; T1479-L1482 PolarHBondContact O-N 3.16Å; I1480-L1482 VanDerWaalsContact C-N 3.3Å; I1480-L1482 PolarHBondContact O-N 3.27Å; L1482-L1484 VanDerWaalsContact C-N 3.3Å; L1482-L1484 PolarHBondContact O-N 3.08Å; L1482-L1485 PolarHBondContact O-N 3.03Å; L1482-R1486 HydrophobicContact CD1-CG 4.22Å; L1482-R1486 HydrophobicContact CG-CG 4.47Å; L1482-R1486 WeakPolarHBondContact O-CA 3.23Å; L1482-R1486 VanDerWaalsContact O-CB 3.26Å; L1482-R1486 WeakPolarHBondContact O-CB 3.32Å; L1482-R1486 WeakPolarHBondContact O-CG 3.39Å; L1482-R1486 PolarHBondContact O-N 3.22Å; L1482-V1708 HydrophobicContact CB-CG1 4.14Å; L1482-V1708 HydrophobicContact CD1-CG1 4.38Å; L1482-L1711 HydrophobicContact CD2-CB 4.5Å; L1482-L1711 HydrophobicContact CD2-CD2 3.92Å; L1482-L1711 HydrophobicContact CD2-CG 3.93Å; L1482-T1712 HydrophobicContact CD1-CG2 4.48Å; L1482-T1712 VanDerWaalsContact CD1-OG1 3.31Å; L1482-T1712 WeakPolarHBondContact CD1-OG1 3.39Å; L1482-I1717 HydrophobicContact CD1-CD1 3.94Å; L1482-I1717 HydrophobicContact CD2-CD1 4.13Å; L1482-I1717 HydrophobicContact CG-CD1 4.33Å; L1482-W1726 HydrophobicContact CD1-CH2 4Å; L1482-W1726 HydrophobicContact CD1-CZ2 3.77Å |
| 1483 | L | 48.4 | Very low | 45.3 | Very low | 80.8 Ų | 80.8 | 57.6 Ų | 57.6 | 42% | 0.423 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.9 | -35.9 | 175.8 | -90.4 | 162.4 | 0 | 0 | 0 | 111.8 | T1479 I1480 T1481 R1486 G1487 | T1479-L1483 HydrophobicContact CG2-CD1 4.11Å; T1479-L1483 HydrophobicContact CG2-CG 4.37Å; T1479-L1483 WeakPolarHBondContact O-CB 3.43Å; T1479-L1483 WeakPolarHBondContact O-CD1 3.41Å; T1479-L1483 WeakPolarHBondContact O-CG 3.23Å; T1479-L1483 PolarHBondContact O-N 3.11Å; T1479-L1483 VanDerWaalsContact O-N 3.09Å; I1480-L1483 VanDerWaalsContact CA-CB 3.5Å; I1480-L1483 HydrophobicContact CB-CB 4.22Å; I1480-L1483 HydrophobicContact CD1-CD1 4.48Å; I1480-L1483 HydrophobicContact CG1-CB 3.74Å; I1480-L1483 HydrophobicContact CG1-CD1 3.68Å; I1480-L1483 HydrophobicContact CG1-CG 4.24Å; I1480-L1483 CarbonylContact O-C 3.44Å; I1480-L1483 WeakPolarHBondContact O-CA 3.21Å; I1480-L1483 PolarHBondContact O-N 3.16Å; T1481-L1483 VanDerWaalsContact C-N 3.26Å; T1481-L1483 PolarHBondContact O-N 3.19Å; L1483-R1486 PolarHBondContact O-N 2.96Å; L1483-G1487 WeakPolarHBondContact O-CA 3.35Å; L1483-G1487 PolarHBondContact O-N 3.25Å |
| 1484 | L | 48 | Very low | 45.7 | Very low | 52.4 Ų | 52.4 | 55.3 Ų | 55.3 | 27% | 0.274 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 172.4 | -75 | 164.4 | 0 | 0 | 0 | 111.7 | I1383 Y1387 V1391 I1480 T1481 L1482 R1486 G1487 G1488 A1489 L1493 Y1565 | I1383-L1484 HydrophobicContact CG1-CD2 4.48Å; I1383-L1484 HydrophobicContact CG2-CD2 3.51Å; Y1387-L1484 HydrophobicContact CE1-CD1 3.86Å; V1391-L1484 HydrophobicContact CG2-CD1 4.08Å; I1480-L1484 HydrophobicContact CG2-CD1 3.94Å; I1480-L1484 HydrophobicContact CG2-CG 4.37Å; I1480-L1484 WeakPolarHBondContact O-CB 3.35Å; I1480-L1484 WeakPolarHBondContact O-CD1 3.49Å; I1480-L1484 VanDerWaalsContact O-CG 3.25Å; I1480-L1484 WeakPolarHBondContact O-CG 3.3Å; I1480-L1484 PolarHBondContact O-N 3.12Å; T1481-L1484 WeakPolarHBondContact O-CB 3.4Å; T1481-L1484 PolarHBondContact O-N 3.19Å; L1482-L1484 VanDerWaalsContact C-N 3.3Å; L1482-L1484 PolarHBondContact O-N 3.08Å; L1484-R1486 VanDerWaalsContact C-N 3.33Å; L1484-R1486 PolarHBondContact O-N 3.29Å; L1484-G1487 CarbonylContact O-C 3.49Å; L1484-G1487 WeakPolarHBondContact O-CA 3.46Å; L1484-G1487 PolarHBondContact O-N 3.1Å; L1484-G1487 VanDerWaalsContact O-N 3.11Å; L1484-G1488 PolarHBondContact O-N 3.14Å; L1484-A1489 HydrophobicContact CB-CB 4.1Å; L1484-A1489 HydrophobicContact CD2-CB 4.17Å; L1484-A1489 VanDerWaalsContact O-CB 3.28Å; L1484-A1489 WeakPolarHBondContact O-CB 3.44Å; L1484-A1489 PolarHBondContact O-N 3.03Å; L1484-A1489 VanDerWaalsContact O-N 3.08Å; L1484-L1493 HydrophobicContact CB-CD1 4.23Å; L1484-Y1565 HydrophobicContact CB-CE1 4.32Å; L1484-Y1565 VanDerWaalsContact CB-OH 3.23Å; L1484-Y1565 WeakPolarHBondContact CB-OH 3.18Å; L1484-Y1565 WeakPolarHBondContact CD1-OH 3.39Å |
| 1485 | L | 49.8 | Very low | 45.8 | Very low | 44.2 Ų | 44.2 | 53.6 Ų | 53.6 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 173.1 | -78 | 151.8 | 0 | 0 | 0 | 111.8 | L1395 T1481 L1482 G1487 G1488 L1490 L1493 Y1565 T1568 V1708 W1726 | L1395-L1485 HydrophobicContact CD2-CD1 4.41Å; L1395-L1485 HydrophobicContact CD2-CD2 4.3Å; T1481-L1485 HydrophobicContact CG2-CD1 4.15Å; T1481-L1485 WeakPolarHBondContact O-CB 3.43Å; T1481-L1485 WeakPolarHBondContact O-CD1 3.33Å; T1481-L1485 WeakPolarHBondContact O-CG 3.31Å; T1481-L1485 PolarHBondContact O-N 3.19Å; T1481-L1485 VanDerWaalsContact O-N 3.13Å; L1482-L1485 PolarHBondContact O-N 3.03Å; L1485-G1487 VanDerWaalsContact C-N 3.25Å; L1485-G1487 PolarHBondContact O-N 2.9Å; L1485-G1488 PolarHBondContact O-N 3.3Å; L1485-L1490 HydrophobicContact CD1-CD2 4.11Å; L1485-L1490 HydrophobicContact CD2-CB 4.35Å; L1485-L1490 HydrophobicContact CD2-CD1 3.65Å; L1485-L1490 VanDerWaalsContact CD2-CD1 3.43Å; L1485-L1490 HydrophobicContact CD2-CD2 4.44Å; L1485-L1490 HydrophobicContact CD2-CG 4.45Å; L1485-L1490 HydrophobicContact CG-CD2 3.93Å; L1485-L1493 HydrophobicContact CD1-CD1 4.38Å; L1485-L1493 HydrophobicContact CD2-CD1 3.71Å; L1485-L1493 HydrophobicContact CG-CD1 3.67Å; L1485-Y1565 HydrophobicContact CD1-CD1 4.04Å; L1485-Y1565 HydrophobicContact CD2-CD1 3.46Å; L1485-Y1565 VanDerWaalsContact CD2-CD1 3.46Å; L1485-Y1565 HydrophobicContact CD2-CE1 4.18Å; L1485-Y1565 HydrophobicContact CD2-CG 3.79Å; L1485-Y1565 HydrophobicContact CG-CD1 3.57Å; L1485-Y1565 HydrophobicContact CG-CE1 3.89Å; L1485-Y1565 HydrophobicContact CG-CG 4.39Å; L1485-T1568 HydrophobicContact CD1-CG2 3.52Å; L1485-V1708 HydrophobicContact CD1-CG1 4.13Å; L1485-W1726 HydrophobicContact CB-CD2 3.9Å; L1485-W1726 HydrophobicContact CB-CE3 4.08Å; L1485-W1726 HydrophobicContact CB-CG 4.36Å; L1485-W1726 HydrophobicContact CB-CH2 4.46Å; L1485-W1726 HydrophobicContact CB-CZ2 4.28Å; L1485-W1726 HydrophobicContact CB-CZ3 4.37Å; L1485-W1726 HydrophobicContact CD1-CE3 4.09Å; L1485-W1726 HydrophobicContact CD1-CH2 4.21Å; L1485-W1726 HydrophobicContact CD1-CZ3 3.82Å; L1485-W1726 HydrophobicContact CD2-CD2 4.33Å; L1485-W1726 HydrophobicContact CD2-CE3 3.93Å; L1485-W1726 HydrophobicContact CD2-CZ3 4.49Å; L1485-W1726 HydrophobicContact CG-CE3 4.26Å; L1485-W1726 HydrophobicContact CG-CZ3 4.47Å |
| 1486 | R | 49.5 | Very low | 45.9 | Very low | 121.2 Ų | 121.2 | 53 Ų | 53 | 46% | 0.457 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.9 | -26.9 | 176.6 | -132.9 | 176 | 170.1 | 157.6 | 3.1 | 112.9 | L1482 L1483 L1484 G1488 N1571 I1717 E1721 | L1482-R1486 HydrophobicContact CD1-CG 4.22Å; L1482-R1486 HydrophobicContact CG-CG 4.47Å; L1482-R1486 WeakPolarHBondContact O-CA 3.23Å; L1482-R1486 VanDerWaalsContact O-CB 3.26Å; L1482-R1486 WeakPolarHBondContact O-CB 3.32Å; L1482-R1486 WeakPolarHBondContact O-CG 3.39Å; L1482-R1486 PolarHBondContact O-N 3.22Å; L1483-R1486 PolarHBondContact O-N 2.96Å; L1484-R1486 VanDerWaalsContact C-N 3.33Å; L1484-R1486 PolarHBondContact O-N 3.29Å; R1486-G1488 VanDerWaalsContact C-N 3.26Å; R1486-G1488 PolarHBondContact O-N 3.23Å; R1486-N1571 VanDerWaalsContact CZ-OD1 3.29Å; R1486-N1571 PolarHBondContact NH1-OD1 2.97Å; R1486-N1571 VanDerWaalsContact NH2-CG 3.26Å; R1486-N1571 PolarHBondContact NH2-ND2 3.44Å; R1486-N1571 PolarHBondContact NH2-OD1 2.88Å; R1486-I1717 HydrophobicContact CG-CD1 4.24Å; R1486-E1721 IonicContact CZ-OE1 2.72Å; R1486-E1721 IonicContact CZ-OE2 3.21Å; R1486-E1721 IonicContact NE-OE1 3.68Å; R1486-E1721 PolarHBondContact NE-OE1 3.34Å; R1486-E1721 IonicContact NE-OE2 2.77Å; R1486-E1721 IonicContact NH2-OE1 3.77Å; R1486-E1721 PolarHBondContact NH2-OE1 3.03Å; R1486-E1721 VanDerWaalsContact NH2-OE1 3.14Å; R1486-E1721 IonicContact NH2-OE2 3.13Å; R1486-E1721 PolarHBondContact NH2-OE2 3.39Å |
| 1487 | G | 46.2 | Very low | 45.9 | Very low | 45.6 Ų | 45.6 | 54 Ų | 54 | 47% | 0.47 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 3.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1483 L1484 L1485 A1489 | L1483-G1487 WeakPolarHBondContact O-CA 3.35Å; L1483-G1487 PolarHBondContact O-N 3.25Å; L1484-G1487 CarbonylContact O-C 3.49Å; L1484-G1487 WeakPolarHBondContact O-CA 3.46Å; L1484-G1487 PolarHBondContact O-N 3.1Å; L1484-G1487 VanDerWaalsContact O-N 3.11Å; L1485-G1487 VanDerWaalsContact C-N 3.25Å; L1485-G1487 PolarHBondContact O-N 2.9Å; G1487-A1489 VanDerWaalsContact C-N 3.29Å; G1487-A1489 PolarHBondContact O-N 3.11Å |
| 1488 | G | 44.6 | Very low | 45.7 | Very low | 25 Ų | 25 | 57.5 Ų | 57.5 | 26% | 0.258 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 14.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | L1484 L1485 R1486 L1490 N1491 L1492 | L1484-G1488 PolarHBondContact O-N 3.14Å; L1485-G1488 PolarHBondContact O-N 3.3Å; R1486-G1488 VanDerWaalsContact C-N 3.26Å; R1486-G1488 PolarHBondContact O-N 3.23Å; G1488-L1490 VanDerWaalsContact C-N 3.31Å; G1488-L1490 PolarHBondContact O-N 3.21Å; G1488-L1490 VanDerWaalsContact O-N 3.1Å; G1488-N1491 CarbonylContact O-C 3.51Å; G1488-N1491 WeakPolarHBondContact O-CA 3.14Å; G1488-N1491 WeakPolarHBondContact O-CB 3.25Å; G1488-N1491 PolarHBondContact O-N 3.21Å; G1488-N1491 PolarHBondContact O-ND2 3.07Å; G1488-L1492 PolarHBondContact O-N 3.14Å |
| 1489 | A | 48.5 | Very low | 45.4 | Very low | 19.6 Ų | 19.6 | 57.3 Ų | 57.3 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -18.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1484 G1487 N1491 L1492 L1493 Y1565 | L1484-A1489 HydrophobicContact CB-CB 4.1Å; L1484-A1489 HydrophobicContact CD2-CB 4.17Å; L1484-A1489 VanDerWaalsContact O-CB 3.28Å; L1484-A1489 WeakPolarHBondContact O-CB 3.44Å; L1484-A1489 PolarHBondContact O-N 3.03Å; L1484-A1489 VanDerWaalsContact O-N 3.08Å; G1487-A1489 VanDerWaalsContact C-N 3.29Å; G1487-A1489 PolarHBondContact O-N 3.11Å; A1489-N1491 PolarHBondContact O-N 3.14Å; A1489-N1491 VanDerWaalsContact O-N 3.16Å; A1489-L1492 HydrophobicContact CB-CB 4.34Å; A1489-L1492 HydrophobicContact CB-CD1 3.98Å; A1489-L1492 WeakPolarHBondContact O-CB 3.42Å; A1489-L1492 PolarHBondContact O-N 2.97Å; A1489-L1493 WeakPolarHBondContact O-CB 3.44Å; A1489-L1493 WeakPolarHBondContact O-CG 3.34Å; A1489-L1493 PolarHBondContact O-N 3.24Å; A1489-Y1565 HydrophobicContact CB-CE2 4.11Å |
| 1490 | L | 49.1 | Very low | 44.9 | Very low | 39.6 Ų | 39.6 | 58.5 Ų | 58.5 | 21% | 0.207 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.9 | -37.6 | 176.6 | -164.4 | 77.9 | 0 | 0 | 0 | 112.2 | H1354 V1391 L1395 L1485 G1488 L1492 L1493 L1494 I1562 Y1565 L1727 | H1354-L1490 WeakPolarHBondContact CE1-CD2 2.94Å; H1354-L1490 VanDerWaalsContact CE1-CG 3.45Å; H1354-L1490 WeakPolarHBondContact CE1-CG 2.87Å; V1391-L1490 HydrophobicContact CG1-CD1 3.96Å; L1395-L1490 HydrophobicContact CD1-CD1 4.04Å; L1395-L1490 HydrophobicContact CD1-CD2 3.68Å; L1395-L1490 HydrophobicContact CD1-CG 4.41Å; L1395-L1490 HydrophobicContact CD2-CD2 3.97Å; L1395-L1490 HydrophobicContact CG-CD2 4.46Å; L1485-L1490 HydrophobicContact CD1-CD2 4.11Å; L1485-L1490 HydrophobicContact CD2-CB 4.35Å; L1485-L1490 HydrophobicContact CD2-CD1 3.65Å; L1485-L1490 VanDerWaalsContact CD2-CD1 3.43Å; L1485-L1490 HydrophobicContact CD2-CD2 4.44Å; L1485-L1490 HydrophobicContact CD2-CG 4.45Å; L1485-L1490 HydrophobicContact CG-CD2 3.93Å; G1488-L1490 VanDerWaalsContact C-N 3.31Å; G1488-L1490 PolarHBondContact O-N 3.21Å; G1488-L1490 VanDerWaalsContact O-N 3.1Å; L1490-L1492 VanDerWaalsContact C-N 3.31Å; L1490-L1492 PolarHBondContact O-N 3.03Å; L1490-L1493 WeakPolarHBondContact O-CB 3.27Å; L1490-L1493 PolarHBondContact O-N 2.89Å; L1490-L1493 VanDerWaalsContact O-N 3.16Å; L1490-L1494 HydrophobicContact CD1-CD1 4.14Å; L1490-L1494 HydrophobicContact CD1-CG 4.06Å; L1490-L1494 HydrophobicContact CD2-CD1 3.93Å; L1490-L1494 HydrophobicContact CG-CD1 4.11Å; L1490-L1494 HydrophobicContact CG-CG 4.45Å; L1490-L1494 WeakPolarHBondContact O-CB 3.32Å; L1490-L1494 WeakPolarHBondContact O-CD1 3.42Å; L1490-L1494 VanDerWaalsContact O-CG 3.24Å; L1490-L1494 WeakPolarHBondContact O-CG 3.31Å; L1490-L1494 PolarHBondContact O-N 2.94Å; L1490-I1562 HydrophobicContact CD1-CG2 4.17Å; L1490-Y1565 HydrophobicContact CB-CD2 4.16Å; L1490-Y1565 HydrophobicContact CB-CG 4.41Å; L1490-L1727 HydrophobicContact CD2-CB 4.19Å; L1490-L1727 HydrophobicContact CD2-CD1 4.01Å; L1490-L1727 HydrophobicContact CG-CD1 4.22Å |
| 1491 | N | 45.7 | Very low | 44.3 | Very low | 66.4 Ų | 66.4 | 59.7 Ų | 59.7 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.9 | -30.2 | 174.6 | -71.3 | -24.9 | 0 | 0 | 0 | 112.7 | G1488 A1489 L1493 L1494 S1495 Q1560 Y1725 W1726 L1727 K1728 | G1488-N1491 CarbonylContact O-C 3.51Å; G1488-N1491 WeakPolarHBondContact O-CA 3.14Å; G1488-N1491 WeakPolarHBondContact O-CB 3.25Å; G1488-N1491 PolarHBondContact O-N 3.21Å; G1488-N1491 PolarHBondContact O-ND2 3.07Å; A1489-N1491 PolarHBondContact O-N 3.14Å; A1489-N1491 VanDerWaalsContact O-N 3.16Å; N1491-L1493 VanDerWaalsContact C-N 3.27Å; N1491-L1493 PolarHBondContact O-N 2.88Å; N1491-L1494 CarbonylContact O-C 3.49Å; N1491-L1494 PolarHBondContact O-N 3.03Å; N1491-S1495 WeakPolarHBondContact O-CA 3.25Å; N1491-S1495 WeakPolarHBondContact O-CB 3.44Å; N1491-S1495 PolarHBondContact O-N 3.12Å; N1491-S1495 VanDerWaalsContact O-N 3.17Å; N1491-S1495 PolarHBondContact O-OG 3.25Å; N1491-Q1560 PolarHBondContact O-NE2 3Å; N1491-Y1725 PolarHBondContact ND2-O 2.93Å; N1491-Y1725 VanDerWaalsContact ND2-O 3.09Å; N1491-W1726 PolarHBondContact ND2-O 3.13Å; N1491-L1727 WeakPolarHBondContact OD1-CA 3.35Å; N1491-K1728 PolarHBondContact ND2-N 3.02Å; N1491-K1728 PolarHBondContact OD1-N 3.45Å |
| 1492 | L | 46.9 | Very low | 43.6 | Very low | 85.6 Ų | 85.6 | 61.5 Ų | 61.5 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.4 | -31.8 | 175.1 | -81.4 | 156.1 | 0 | 0 | 0 | 112.5 | Y1387 G1488 A1489 L1490 S1495 S1496 Q1560 | Y1387-L1492 HydrophobicContact CE1-CD2 4.35Å; G1488-L1492 PolarHBondContact O-N 3.14Å; A1489-L1492 HydrophobicContact CB-CB 4.34Å; A1489-L1492 HydrophobicContact CB-CD1 3.98Å; A1489-L1492 WeakPolarHBondContact O-CB 3.42Å; A1489-L1492 PolarHBondContact O-N 2.97Å; L1490-L1492 VanDerWaalsContact C-N 3.31Å; L1490-L1492 PolarHBondContact O-N 3.03Å; L1492-S1495 WeakPolarHBondContact CA-OG 3.25Å; L1492-S1495 PolarHBondContact O-N 3.47Å; L1492-S1495 PolarHBondContact O-OG 2.96Å; L1492-S1496 WeakPolarHBondContact O-CA 3.44Å; L1492-S1496 WeakPolarHBondContact O-CB 3.41Å; L1492-S1496 PolarHBondContact O-N 3.21Å; L1492-Q1560 HydrophobicContact CD2-CG 4.25Å |
| 1493 | L | 45.9 | Very low | 42.7 | Very low | 51.4 Ų | 51.4 | 64.3 Ų | 64.3 | 27% | 0.269 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.3 | -44.2 | 174.3 | -85.2 | 155.5 | 0 | 0 | 0 | 112 | L1395 T1481 L1484 L1485 A1489 L1490 N1491 S1495 S1496 L1499 T1558 F1561 I1562 Y1565 | L1395-L1493 HydrophobicContact CB-CD1 4.41Å; L1395-L1493 HydrophobicContact CB-CD2 3.82Å; L1395-L1493 HydrophobicContact CD1-CD1 4Å; L1395-L1493 HydrophobicContact CD1-CD2 3.89Å; L1395-L1493 HydrophobicContact CD1-CG 4.3Å; L1395-L1493 HydrophobicContact CD2-CD1 3.54Å; L1395-L1493 HydrophobicContact CG-CD1 4.16Å; L1395-L1493 HydrophobicContact CG-CD2 4.25Å; T1481-L1493 HydrophobicContact CG2-CD1 3.96Å; T1481-L1493 HydrophobicContact CG2-CD2 4.09Å; L1484-L1493 HydrophobicContact CB-CD1 4.23Å; L1485-L1493 HydrophobicContact CD1-CD1 4.38Å; L1485-L1493 HydrophobicContact CD2-CD1 3.71Å; L1485-L1493 HydrophobicContact CG-CD1 3.67Å; A1489-L1493 WeakPolarHBondContact O-CB 3.44Å; A1489-L1493 WeakPolarHBondContact O-CG 3.34Å; A1489-L1493 PolarHBondContact O-N 3.24Å; L1490-L1493 WeakPolarHBondContact O-CB 3.27Å; L1490-L1493 PolarHBondContact O-N 2.89Å; L1490-L1493 VanDerWaalsContact O-N 3.16Å; N1491-L1493 VanDerWaalsContact C-N 3.27Å; N1491-L1493 PolarHBondContact O-N 2.88Å; L1493-S1495 VanDerWaalsContact C-N 3.28Å; L1493-S1495 PolarHBondContact O-N 3.1Å; L1493-S1496 VanDerWaalsContact O-CB 3.26Å; L1493-S1496 WeakPolarHBondContact O-CB 3.37Å; L1493-S1496 PolarHBondContact O-N 2.92Å; L1493-S1496 PolarHBondContact O-OG 3.3Å; L1493-L1499 HydrophobicContact CD2-CD1 3.98Å; L1493-L1499 VanDerWaalsContact O-CD1 3.24Å; L1493-L1499 WeakPolarHBondContact O-CD1 3.21Å; L1493-T1558 HydrophobicContact CD2-CG2 3.96Å; L1493-F1561 HydrophobicContact CD1-CB 3.72Å; L1493-I1562 HydrophobicContact CB-CD1 4.1Å; L1493-I1562 HydrophobicContact CB-CG1 3.78Å; L1493-I1562 HydrophobicContact CD1-CG1 4.24Å; L1493-Y1565 HydrophobicContact CD1-CD2 3.86Å; L1493-Y1565 HydrophobicContact CD1-CE2 3.57Å |
| 1494 | L | 46.1 | Very low | 41.8 | Very low | 64.8 Ų | 64.8 | 65.3 Ų | 65.3 | 34% | 0.339 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -76.1 | -17.6 | -176.9 | -68.3 | 167.4 | 0 | 0 | 0 | 113.6 | H1353 H1354 L1490 N1491 S1496 I1562 L1727 I1731 T1734 L1738 Y1953 | H1353-L1494 WeakPolarHBondContact CE1-CD1 3.25Å; H1353-L1494 WeakPolarHBondContact CE1-CD2 3.15Å; H1354-L1494 WeakPolarHBondContact NE2-CD1 3.24Å; L1490-L1494 HydrophobicContact CD1-CD1 4.14Å; L1490-L1494 HydrophobicContact CD1-CG 4.06Å; L1490-L1494 HydrophobicContact CD2-CD1 3.93Å; L1490-L1494 HydrophobicContact CG-CD1 4.11Å; L1490-L1494 HydrophobicContact CG-CG 4.45Å; L1490-L1494 WeakPolarHBondContact O-CB 3.32Å; L1490-L1494 WeakPolarHBondContact O-CD1 3.42Å; L1490-L1494 VanDerWaalsContact O-CG 3.24Å; L1490-L1494 WeakPolarHBondContact O-CG 3.31Å; L1490-L1494 PolarHBondContact O-N 2.94Å; N1491-L1494 CarbonylContact O-C 3.49Å; N1491-L1494 PolarHBondContact O-N 3.03Å; L1494-S1496 PolarHBondContact O-N 3.15Å; L1494-I1562 HydrophobicContact CD2-CD1 4.16Å; L1494-I1562 HydrophobicContact CD2-CG1 4.36Å; L1494-I1562 HydrophobicContact CD2-CG2 3.78Å; L1494-L1727 HydrophobicContact CD1-CD1 3.68Å; L1494-I1731 HydrophobicContact CB-CD1 3.98Å; L1494-T1734 HydrophobicContact CB-CG2 4.26Å; L1494-T1734 HydrophobicContact CD2-CG2 3.82Å; L1494-T1734 HydrophobicContact CG-CG2 4.48Å; L1494-L1738 HydrophobicContact CD2-CD1 4.4Å; L1494-Y1953 HydrophobicContact CD1-CD2 4.31Å; L1494-Y1953 HydrophobicContact CD1-CE2 4.19Å |
| 1495 | S | 41.6 | Very low | 40.8 | Very low | 55.2 Ų | 55.2 | 67.2 Ų | 67.2 | 39% | 0.386 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 7.4 | 172.2 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | N1491 L1492 L1493 P1497 Q1560 | N1491-S1495 WeakPolarHBondContact O-CA 3.25Å; N1491-S1495 WeakPolarHBondContact O-CB 3.44Å; N1491-S1495 PolarHBondContact O-N 3.12Å; N1491-S1495 VanDerWaalsContact O-N 3.17Å; N1491-S1495 PolarHBondContact O-OG 3.25Å; L1492-S1495 WeakPolarHBondContact CA-OG 3.25Å; L1492-S1495 PolarHBondContact O-N 3.47Å; L1492-S1495 PolarHBondContact O-OG 2.96Å; L1493-S1495 VanDerWaalsContact C-N 3.28Å; L1493-S1495 PolarHBondContact O-N 3.1Å; S1495-P1497 WeakPolarHBondContact O-CD 3.44Å; S1495-Q1560 PolarHBondContact OG-NE2 3.24Å |
| 1496 | S | 39.6 | Very low | 39.9 | Very low | 27.6 Ų | 27.6 | 70 Ų | 70 | 19% | 0.193 | 41% | 0.414 | C | S | . | . | trans | -83.2 | 124 | -178 | 102.5 | 0 | 0 | 0 | 0 | 111.6 | L1492 L1493 L1494 L1498 L1499 V1500 | L1492-S1496 WeakPolarHBondContact O-CA 3.44Å; L1492-S1496 WeakPolarHBondContact O-CB 3.41Å; L1492-S1496 PolarHBondContact O-N 3.21Å; L1493-S1496 VanDerWaalsContact O-CB 3.26Å; L1493-S1496 WeakPolarHBondContact O-CB 3.37Å; L1493-S1496 PolarHBondContact O-N 2.92Å; L1493-S1496 PolarHBondContact O-OG 3.3Å; L1494-S1496 PolarHBondContact O-N 3.15Å; S1496-L1498 VanDerWaalsContact C-N 3.28Å; S1496-L1498 PolarHBondContact O-N 3.14Å; S1496-L1498 VanDerWaalsContact O-N 3.13Å; S1496-L1498 PolarHBondContact OG-N 3.08Å; S1496-L1499 PolarHBondContact O-N 3.42Å; S1496-L1499 WeakPolarHBondContact OG-CD1 3.42Å; S1496-V1500 PolarHBondContact O-N 3.05Å | ||
| 1497 | P | 39.5 | Very low | 38.8 | Very low | 88.8 Ų | 88.8 | 68.7 Ų | 68.7 | 58% | 0.577 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -64.2 | -19.5 | -178.1 | -24 | 34.7 | 0 | 0 | 0 | 115 | S1495 L1499 V1500 S1501 M1557 | S1495-P1497 WeakPolarHBondContact O-CD 3.44Å; P1497-L1499 VanDerWaalsContact C-N 3.3Å; P1497-L1499 PolarHBondContact O-N 3.18Å; P1497-V1500 PolarHBondContact O-N 3.27Å; P1497-V1500 VanDerWaalsContact O-N 3.16Å; P1497-S1501 WeakPolarHBondContact O-CA 3.1Å; P1497-S1501 WeakPolarHBondContact O-CB 3.34Å; P1497-S1501 PolarHBondContact O-N 2.9Å; P1497-S1501 PolarHBondContact O-OG 2.82Å; P1497-M1557 HydrophobicContact CB-CE 4.16Å; P1497-M1557 HydrophobicContact CG-CE 4.01Å |
| 1498 | L | 37.8 | Very low | 38 | Very low | 107.6 Ų | 107.6 | 70.7 Ų | 70.7 | 56% | 0.563 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -70.8 | -26.3 | -176.8 | -75.5 | 142.6 | 0 | 0 | 0 | 113.8 | V1330 S1496 V1500 S1501 S1502 F1503 L1554 F1555 | V1330-L1498 HydrophobicContact CG2-CD1 4.48Å; S1496-L1498 VanDerWaalsContact C-N 3.28Å; S1496-L1498 PolarHBondContact O-N 3.14Å; S1496-L1498 VanDerWaalsContact O-N 3.13Å; S1496-L1498 PolarHBondContact OG-N 3.08Å; L1498-V1500 VanDerWaalsContact C-N 3.26Å; L1498-V1500 PolarHBondContact O-N 3.12Å; L1498-S1501 PolarHBondContact O-N 3.46Å; L1498-S1501 PolarHBondContact O-OG 3.4Å; L1498-S1502 PolarHBondContact O-OG 2.85Å; L1498-F1503 HydrophobicContact CD2-CE2 3.65Å; L1498-F1503 HydrophobicContact CD2-CZ 3.49Å; L1498-F1503 VanDerWaalsContact CD2-CZ 3.49Å; L1498-L1554 HydrophobicContact CD2-CD2 4.1Å; L1498-F1555 WeakPolarHBondContact O-CE1 3.23Å; L1498-F1555 WeakPolarHBondContact O-CZ 3.19Å |
| 1499 | L | 38 | Very low | 37.2 | Very low | 54.6 Ų | 54.6 | 75.4 Ų | 75.4 | 29% | 0.286 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -82.9 | -7.6 | 179 | -75.2 | 170.1 | 0 | 0 | 0 | 114 | F1285 N1288 I1292 M1396 L1493 S1496 P1497 S1502 F1503 T1558 I1562 L1738 T1741 | F1285-L1499 HydrophobicContact CD2-CD2 4.26Å; F1285-L1499 HydrophobicContact CE2-CD1 4.32Å; F1285-L1499 HydrophobicContact CE2-CD2 4.08Å; N1288-L1499 HydrophobicContact CB-CD2 4.32Å; I1292-L1499 HydrophobicContact CD1-CD2 4.16Å; M1396-L1499 HydrophobicContact CE-CD2 3.6Å; M1396-L1499 HydrophobicContact CG-CD2 4.24Å; M1396-L1499 HydrophobicContact SD-CD2 3.88Å; L1493-L1499 HydrophobicContact CD2-CD1 3.98Å; L1493-L1499 VanDerWaalsContact O-CD1 3.24Å; L1493-L1499 WeakPolarHBondContact O-CD1 3.21Å; S1496-L1499 PolarHBondContact O-N 3.42Å; S1496-L1499 WeakPolarHBondContact OG-CD1 3.42Å; P1497-L1499 VanDerWaalsContact C-N 3.3Å; P1497-L1499 PolarHBondContact O-N 3.18Å; L1499-S1502 PolarHBondContact O-OG 3.03Å; L1499-F1503 WeakPolarHBondContact O-CD2 3.33Å; L1499-T1558 HydrophobicContact CD2-CG2 4.4Å; L1499-I1562 HydrophobicContact CD1-CD1 3.94Å; L1499-L1738 HydrophobicContact CD1-CD2 4.07Å; L1499-L1738 HydrophobicContact CD2-CD2 4.39Å; L1499-T1741 HydrophobicContact CB-CG2 4.3Å; L1499-T1741 HydrophobicContact CD2-CG2 4.14Å; L1499-T1741 WeakPolarHBondContact O-CG2 3.47Å |
| 1500 | V | 36.3 | Very low | 36.2 | Very low | 72 Ų | 72 | 82.8 Ų | 82.8 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -100.7 | -19.1 | -175.3 | -175.7 | 0 | 0 | 0 | 0 | 112.9 | S1496 P1497 L1498 S1502 F1503 K1548 R1553 N1737 | S1496-V1500 PolarHBondContact O-N 3.05Å; P1497-V1500 PolarHBondContact O-N 3.27Å; P1497-V1500 VanDerWaalsContact O-N 3.16Å; L1498-V1500 VanDerWaalsContact C-N 3.26Å; L1498-V1500 PolarHBondContact O-N 3.12Å; V1500-S1502 VanDerWaalsContact C-N 3.32Å; V1500-S1502 PolarHBondContact O-N 3.35Å; V1500-F1503 CarbonylContact O-C 3.45Å; V1500-F1503 PolarHBondContact O-N 2.93Å; V1500-F1503 VanDerWaalsContact O-N 3.08Å; V1500-K1548 PolarHBondContact O-NZ 3.22Å; V1500-R1553 HydrophobicContact CG1-CB 4.13Å; V1500-R1553 HydrophobicContact CG1-CG 4.4Å; V1500-N1737 HydrophobicContact CG2-CB 4.37Å |
| 1501 | S | 33 | Very low | 35.2 | Very low | 81 Ų | 81 | 88.2 Ų | 88.2 | 57% | 0.566 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -93.1 | 2.6 | -172.5 | 59.1 | 0 | 0 | 0 | 0 | 115.6 | P1497 L1498 F1503 T1504 | P1497-S1501 WeakPolarHBondContact O-CA 3.1Å; P1497-S1501 WeakPolarHBondContact O-CB 3.34Å; P1497-S1501 PolarHBondContact O-N 2.9Å; P1497-S1501 PolarHBondContact O-OG 2.82Å; L1498-S1501 PolarHBondContact O-N 3.46Å; L1498-S1501 PolarHBondContact O-OG 3.4Å; S1501-F1503 PolarHBondContact O-N 3.37Å; S1501-T1504 PolarHBondContact O-N 3.02Å; S1501-T1504 PolarHBondContact O-OG1 2.89Å |
| 1502 | S | 31.7 | Very low | 34.5 | Very low | 52.6 Ų | 52.6 | 93 Ų | 93 | 37% | 0.368 | 52% | 0.516 | S | S | . | . | trans | -84.2 | -6.5 | 179.5 | 41.9 | 0 | 0 | 0 | 0 | 115.1 | E1284 L1498 L1499 V1500 T1504 | E1284-S1502 VanDerWaalsContact OE1-CB 3.25Å; E1284-S1502 WeakPolarHBondContact OE1-CB 3.26Å; E1284-S1502 PolarHBondContact OE1-OG 3.07Å; E1284-S1502 WeakPolarHBondContact OE2-CB 3.23Å; E1284-S1502 PolarHBondContact OE2-OG 3.41Å; L1498-S1502 PolarHBondContact O-OG 2.85Å; L1499-S1502 PolarHBondContact O-OG 3.03Å; V1500-S1502 VanDerWaalsContact C-N 3.32Å; V1500-S1502 PolarHBondContact O-N 3.35Å; S1502-T1504 PolarHBondContact O-N 3.1Å | ||
| 1503 | F | 29.9 | Very low | 33.6 | Very low | 113.8 Ų | 113.8 | 96.1 Ų | 96.1 | 50% | 0.499 | 53% | 0.532 | S | S | . | . | trans | -100.7 | 78.7 | 178 | -78.8 | -82.4 | 0 | 0 | 0 | 113.1 | D1280 Q1281 E1284 L1498 L1499 V1500 S1501 P1505 T1551 R1553 L1554 | D1280-F1503 HydrophobicContact CB-CE1 4.37Å; D1280-F1503 WeakPolarHBondContact O-CZ 3.09Å; Q1281-F1503 HydrophobicContact CB-CE2 4.02Å; Q1281-F1503 HydrophobicContact CB-CZ 4.16Å; Q1281-F1503 HydrophobicContact CG-CD2 4.43Å; Q1281-F1503 HydrophobicContact CG-CE2 3.71Å; Q1281-F1503 HydrophobicContact CG-CZ 3.82Å; E1284-F1503 HydrophobicContact CB-CE1 4.43Å; E1284-F1503 HydrophobicContact CB-CE2 3.54Å; E1284-F1503 HydrophobicContact CB-CZ 3.38Å; E1284-F1503 HydrophobicContact CG-CE2 3.85Å; E1284-F1503 HydrophobicContact CG-CZ 4.06Å; E1284-F1503 VanDerWaalsContact OE1-CD2 3.22Å; E1284-F1503 WeakPolarHBondContact OE1-CD2 3.32Å; E1284-F1503 VanDerWaalsContact OE1-CE2 3.23Å; E1284-F1503 WeakPolarHBondContact OE1-CE2 3.03Å; E1284-F1503 WeakPolarHBondContact OE2-CE2 3.17Å; E1284-F1503 WeakPolarHBondContact OE2-CZ 2.12Å; L1498-F1503 HydrophobicContact CD2-CE2 3.65Å; L1498-F1503 HydrophobicContact CD2-CZ 3.49Å; L1498-F1503 VanDerWaalsContact CD2-CZ 3.49Å; L1499-F1503 WeakPolarHBondContact O-CD2 3.33Å; V1500-F1503 CarbonylContact O-C 3.45Å; V1500-F1503 PolarHBondContact O-N 2.93Å; V1500-F1503 VanDerWaalsContact O-N 3.08Å; S1501-F1503 PolarHBondContact O-N 3.37Å; F1503-P1505 VanDerWaalsContact O-CD 3.26Å; F1503-P1505 WeakPolarHBondContact O-CD 3.36Å; F1503-T1551 HydrophobicContact CB-CG2 3.5Å; F1503-T1551 VanDerWaalsContact CB-CG2 3.5Å; F1503-T1551 HydrophobicContact CD1-CG2 4.15Å; F1503-T1551 HydrophobicContact CD2-CG2 3.59Å; F1503-T1551 HydrophobicContact CE2-CG2 4.27Å; F1503-T1551 HydrophobicContact CG-CG2 3.5Å; F1503-T1551 VanDerWaalsContact CG-CG2 3.5Å; F1503-R1553 VanDerWaalsContact O-CZ 3.3Å; F1503-R1553 PolarHBondContact O-NH1 3.31Å; F1503-R1553 PolarHBondContact O-NH2 3.49Å; F1503-L1554 HydrophobicContact CE2-CD2 3.83Å; F1503-L1554 HydrophobicContact CZ-CD2 3.71Å | ||
| 1504 | T | 29 | Very low | 32.8 | Very low | 101.4 Ų | 101.4 | 100.2 Ų | 100.2 | 62% | 0.622 | 55% | 0.552 | S | S | * | * | trans | -94.4 | 117.3 | 161.4 | 46.3 | 0 | 0 | 0 | 0 | 109.7 | S1501 S1502 T1506 N1981 | S1501-T1504 PolarHBondContact O-N 3.02Å; S1501-T1504 PolarHBondContact O-OG1 2.89Å; S1502-T1504 PolarHBondContact O-N 3.1Å; T1504-T1506 PolarHBondContact O-N 3.26Å; T1504-T1506 VanDerWaalsContact O-N 3.11Å; T1504-N1981 VanDerWaalsContact CB-ND2 3.33Å; T1504-N1981 WeakPolarHBondContact CB-ND2 3.28Å; T1504-N1981 VanDerWaalsContact CG2-ND2 3.34Å; T1504-N1981 WeakPolarHBondContact CG2-ND2 3.29Å; T1504-N1981 PolarHBondContact OG1-ND2 2.9Å | ||
| 1505 | P | 29.1 | Very low | 32 | Very low | 94.2 Ų | 94.2 | 103.4 Ų | 103.4 | 61% | 0.612 | 57% | 0.57 | S | S | * | * | trans | -81.2 | 128.3 | 173.6 | 29.1 | -27.9 | 0 | 0 | 0 | 110 | F1503 S1507 I1547 | F1503-P1505 VanDerWaalsContact O-CD 3.26Å; F1503-P1505 WeakPolarHBondContact O-CD 3.36Å; P1505-S1507 PolarHBondContact O-N 3.27Å; P1505-I1547 HydrophobicContact CB-CD1 4.04Å; P1505-I1547 HydrophobicContact CG-CD1 4.48Å | ||
| 1506 | T | 29 | Very low | 31.3 | Very low | 102.2 Ų | 102.2 | 105.9 Ų | 105.9 | 63% | 0.627 | 59% | 0.586 | S | S | * | * | trans | -106.6 | 110.7 | 178.8 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | T1504 S1508 L1509 L1546 | T1504-T1506 PolarHBondContact O-N 3.26Å; T1504-T1506 VanDerWaalsContact O-N 3.11Å; T1506-S1508 PolarHBondContact O-N 2.9Å; T1506-S1508 PolarHBondContact O-OG 3.27Å; T1506-S1508 PolarHBondContact OG1-OG 3.47Å; T1506-L1509 HydrophobicContact CG2-CD1 4.06Å; T1506-L1509 PolarHBondContact O-N 3.47Å; T1506-L1546 HydrophobicContact CG2-CD2 4.16Å | ||
| 1507 | S | 28.1 | Very low | 30.8 | Very low | 94.2 Ų | 94.2 | 111.2 Ų | 111.2 | 66% | 0.659 | 61% | 0.612 | S | S | * | * | trans | -68.6 | 55.3 | 165.5 | 59 | 0 | 0 | 0 | 0 | 114.9 | P1505 L1509 Y1510 H1511 | P1505-S1507 PolarHBondContact O-N 3.27Å; S1507-L1509 PolarHBondContact O-N 2.98Å; S1507-Y1510 WeakPolarHBondContact O-CB 3.44Å; S1507-Y1510 PolarHBondContact O-N 2.92Å; S1507-H1511 WeakPolarHBondContact O-CB 3.39Å; S1507-H1511 PolarHBondContact O-N 3.46Å | ||
| 1508 | S | 28.4 | Very low | 30.4 | Very low | 86.8 Ų | 86.8 | 114.5 Ų | 114.5 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | trans | -117.3 | -10.9 | 168.4 | 58.9 | 0 | 0 | 0 | 0 | 115.3 | C1338 N1339 E1340 Q1341 T1343 T1506 K1512 | C1338-S1508 WeakPolarHBondContact O-CA 3.31Å; C1338-S1508 WeakPolarHBondContact O-CB 3.4Å; N1339-S1508 CarbonylContact O-C 3.24Å; E1340-S1508 CarbonylContact C-O 3.25Å; E1340-S1508 WeakPolarHBondContact CA-O 3.49Å; E1340-S1508 PolarHBondContact N-O 3.03Å; Q1341-S1508 PolarHBondContact N-O 3.23Å; Q1341-S1508 VanDerWaalsContact N-O 3.12Å; T1343-S1508 WeakPolarHBondContact CG2-O 3.1Å; T1506-S1508 PolarHBondContact O-N 2.9Å; T1506-S1508 PolarHBondContact O-OG 3.27Å; T1506-S1508 PolarHBondContact OG1-OG 3.47Å; S1508-K1512 WeakPolarHBondContact O-CB 3.35Å; S1508-K1512 WeakPolarHBondContact O-CG 3.48Å; S1508-K1512 PolarHBondContact O-N 3.43Å | ||
| 1509 | L | 28.5 | Very low | 30.1 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -95.5 | -6.4 | -178.7 | -85.9 | 169.8 | 0 | 0 | 0 | 116.7 | N1339 E1340 Q1341 T1506 S1507 H1511 K1512 L1513 | N1339-L1509 CarbonylContact O-C 3.14Å; N1339-L1509 PolarHBondContact O-N 2.94Å; E1340-L1509 VanDerWaalsContact N-C 3.27Å; E1340-L1509 CarbonylContact O-C 3.56Å; E1340-L1509 VanDerWaalsContact O-O 3.06Å; Q1341-L1509 WeakPolarHBondContact O-CB 3.5Å; T1506-L1509 HydrophobicContact CG2-CD1 4.06Å; T1506-L1509 PolarHBondContact O-N 3.47Å; S1507-L1509 PolarHBondContact O-N 2.98Å; L1509-H1511 VanDerWaalsContact C-N 3.29Å; L1509-H1511 PolarHBondContact O-N 3.26Å; L1509-K1512 PolarHBondContact O-N 3.2Å; L1509-K1512 VanDerWaalsContact O-N 3.16Å; L1509-L1513 PolarHBondContact O-N 3.49Å |
| 1510 | Y | 27.2 | Very low | 29.6 | Very low | 175.2 Ų | 175.2 | 118.2 Ų | 118.2 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82.6 | -2.4 | -177.9 | -119.6 | -79.8 | 0 | 0 | 0 | 113.6 | N1339 E1340 S1507 K1512 L1513 I1514 H1540 | N1339-Y1510 WeakPolarHBondContact O-CB 3.43Å; N1339-Y1510 PolarHBondContact O-N 3.06Å; E1340-Y1510 WeakPolarHBondContact O-CA 3.27Å; E1340-Y1510 PolarHBondContact O-N 3.34Å; S1507-Y1510 WeakPolarHBondContact O-CB 3.44Å; S1507-Y1510 PolarHBondContact O-N 2.92Å; Y1510-K1512 VanDerWaalsContact C-N 3.33Å; Y1510-K1512 PolarHBondContact O-N 3Å; Y1510-L1513 PolarHBondContact O-N 3.25Å; Y1510-I1514 HydrophobicContact CD1-CD1 4.18Å; Y1510-I1514 WeakPolarHBondContact O-CB 3.46Å; Y1510-I1514 WeakPolarHBondContact O-CG1 3.36Å; Y1510-I1514 PolarHBondContact O-N 3.03Å; Y1510-H1540 AromaticContact CE1-NE2 3.54Å; Y1510-H1540 AromaticContact CZ-CE1 3.75Å; Y1510-H1540 AromaticContact CZ-NE2 3.37Å; Y1510-H1540 PolarHBondContact OH-CE1 3.17Å; Y1510-H1540 PolarHBondContact OH-NE2 3.42Å |
| 1511 | H | 28.9 | Very low | 29.2 | Very low | 153.6 Ų | 153.6 | 118.2 Ų | 118.2 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -107.1 | 17.8 | -175.5 | -147.4 | -69.4 | 0 | 0 | 0 | 115.4 | S1507 L1509 N1515 | S1507-H1511 WeakPolarHBondContact O-CB 3.39Å; S1507-H1511 PolarHBondContact O-N 3.46Å; L1509-H1511 VanDerWaalsContact C-N 3.29Å; L1509-H1511 PolarHBondContact O-N 3.26Å; H1511-N1515 PolarHBondContact ND1-ND2 3.04Å; H1511-N1515 WeakPolarHBondContact O-CB 3.44Å; H1511-N1515 PolarHBondContact O-ND2 2.84Å; H1511-N1515 VanDerWaalsContact O-ND2 3.09Å |
| 1512 | K | 29.2 | Very low | 28.9 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -115.9 | 6.4 | 172.8 | -119.2 | -178.6 | -177.7 | 167.2 | 0 | 114.7 | S1508 L1509 Y1510 I1514 N1515 C1516 | S1508-K1512 WeakPolarHBondContact O-CB 3.35Å; S1508-K1512 WeakPolarHBondContact O-CG 3.48Å; S1508-K1512 PolarHBondContact O-N 3.43Å; L1509-K1512 PolarHBondContact O-N 3.2Å; L1509-K1512 VanDerWaalsContact O-N 3.16Å; Y1510-K1512 VanDerWaalsContact C-N 3.33Å; Y1510-K1512 PolarHBondContact O-N 3Å; K1512-I1514 PolarHBondContact O-N 2.92Å; K1512-N1515 PolarHBondContact O-N 2.82Å; K1512-N1515 VanDerWaalsContact O-N 3.09Å; K1512-C1516 PolarHBondContact O-N 2.71Å |
| 1513 | L | 28.1 | Very low | 28.8 | Very low | 150.6 Ų | 150.6 | 129.6 Ų | 129.6 | 79% | 0.788 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -108.8 | 9.1 | 174.6 | -109.4 | 149.6 | 0 | 0 | 0 | 113.4 | L1509 Y1510 N1515 C1516 | L1509-L1513 PolarHBondContact O-N 3.49Å; Y1510-L1513 PolarHBondContact O-N 3.25Å; L1513-N1515 PolarHBondContact O-N 3.3Å; L1513-N1515 VanDerWaalsContact O-N 3.12Å; L1513-C1516 PolarHBondContact O-N 2.75Å; L1513-C1516 VanDerWaalsContact O-N 3.15Å |
| 1514 | I | 29.5 | Very low | 28.6 | Very low | 137.2 Ų | 137.2 | 128.2 Ų | 128.2 | 70% | 0.704 | 72% | 0.717 | S | S | * | * | trans | -117.1 | 57.4 | 167.8 | -66.8 | 172.5 | 0 | 0 | 0 | 110.7 | Y1510 K1512 | Y1510-I1514 HydrophobicContact CD1-CD1 4.18Å; Y1510-I1514 WeakPolarHBondContact O-CB 3.46Å; Y1510-I1514 WeakPolarHBondContact O-CG1 3.36Å; Y1510-I1514 PolarHBondContact O-N 3.03Å; K1512-I1514 PolarHBondContact O-N 2.92Å | ||
| 1515 | N | 28.9 | Very low | 28.5 | Very low | 133.6 Ų | 133.6 | 131 Ų | 131 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | trans | -139.9 | 50.3 | 169.2 | -96.2 | -14.8 | 0 | 0 | 0 | 113.3 | H1511 K1512 L1513 D1517 N1519 | H1511-N1515 PolarHBondContact ND1-ND2 3.04Å; H1511-N1515 WeakPolarHBondContact O-CB 3.44Å; H1511-N1515 PolarHBondContact O-ND2 2.84Å; H1511-N1515 VanDerWaalsContact O-ND2 3.09Å; K1512-N1515 PolarHBondContact O-N 2.82Å; K1512-N1515 VanDerWaalsContact O-N 3.09Å; L1513-N1515 PolarHBondContact O-N 3.3Å; L1513-N1515 VanDerWaalsContact O-N 3.12Å; N1515-D1517 PolarHBondContact O-N 2.81Å; N1515-N1519 PolarHBondContact O-ND2 3.49Å | ||
| 1516 | C | 27.1 | Very low | 28.4 | Very low | 106.4 Ų | 106.4 | 130.9 Ų | 130.9 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | trans | -102.6 | 120.7 | 175.2 | -79.1 | 0 | 0 | 0 | 0 | 110.5 | K1512 L1513 K1518 N1519 | K1512-C1516 PolarHBondContact O-N 2.71Å; L1513-C1516 PolarHBondContact O-N 2.75Å; L1513-C1516 VanDerWaalsContact O-N 3.15Å; C1516-K1518 PolarHBondContact O-N 3.08Å; C1516-K1518 VanDerWaalsContact O-N 3.09Å; C1516-N1519 PolarHBondContact O-N 2.9Å | ||
| 1517 | D | 29.7 | Very low | 28.4 | Very low | 138.8 Ų | 138.8 | 133.8 Ų | 133.8 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | 156.9 | 88.3 | 160.9 | -77.9 | -21.2 | 0 | 0 | 0 | 115.9 | N1515 | N1515-D1517 PolarHBondContact O-N 2.81Š| ||
| 1518 | K | 31.7 | Very low | 28.4 | Very low | 159.6 Ų | 159.6 | 135 Ų | 135 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | trans | -109.6 | 93.6 | 150.5 | -73.7 | 170.9 | -170.1 | 172.6 | 0 | 114 | S1246 L1247 C1516 | S1246-K1518 VanDerWaalsContact C-NZ 3.26Å; S1246-K1518 PolarHBondContact O-NZ 2.74Å; L1247-K1518 WeakPolarHBondContact O-CE 3.43Å; L1247-K1518 PolarHBondContact O-NZ 2.69Å; C1516-K1518 PolarHBondContact O-N 3.08Å; C1516-K1518 VanDerWaalsContact O-N 3.09Å | ||
| 1519 | N | 31 | Very low | 28.5 | Very low | 156.2 Ų | 156.2 | 138.6 Ų | 138.6 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | 121.4 | 102.5 | 149.8 | -65.4 | -33.3 | 0 | 0 | 0 | 116.1 | N1515 C1516 | N1515-N1519 PolarHBondContact O-ND2 3.49Å; C1516-N1519 PolarHBondContact O-N 2.9Å | ||
| 1520 | G | 27.9 | Very low | 28.4 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | 110.2 | 108 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116 | K1522 | G1520-K1522 PolarHBondContact O-N 2.8Š| ||
| 1521 | G | 27.7 | Very low | 28.5 | Very low | 72.2 Ų | 72.2 | 138 Ų | 138 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | -140.7 | 120.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | H1523 | G1521-H1523 PolarHBondContact O-N 3.01Š| ||
| 1522 | K | 27 | Very low | 28.4 | Very low | 193.4 Ų | 193.4 | 136.7 Ų | 136.7 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | 48.1 | 116.3 | 162.1 | -62.1 | 179.4 | 176.5 | 178.9 | 0 | 116.3 | G1520 | G1520-K1522 PolarHBondContact O-N 2.8Š| ||
| 1523 | H | 28.8 | Very low | 28.4 | Very low | 181 Ų | 181 | 133 Ų | 133 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | 166.6 | 139.7 | 137.9 | -78.2 | -74.7 | 0 | 0 | 0 | 112.4 | G1521 | G1521-H1523 PolarHBondContact O-N 3.01Š| ||
| 1524 | A | 26.6 | Very low | 28.4 | Very low | 83.2 Ų | 83.2 | 136.2 Ų | 136.2 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | cis | -154.6 | 142.4 | -35.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1525 | L | 26.8 | Very low | 28.5 | Very low | 161.6 Ų | 161.6 | 134.1 Ų | 134.1 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | 101.2 | 127 | 155.9 | -72.1 | 155.4 | 0 | 0 | 0 | 114 | H1527 | L1525-H1527 PolarHBondContact O-N 3.36Š| ||
| 1526 | S | 27.2 | Very low | 28.8 | Very low | 90.6 Ų | 90.6 | 132 Ų | 132 | 63% | 0.634 | 74% | 0.738 | S | S | * | * | -156.7 | 144.7 | 107.1 | 62.5 | 0 | 0 | 0 | 0 | 112 | D1528 | S1526-D1528 PolarHBondContact OG-OD2 3.25Š| |||
| 1527 | H | 27.6 | Very low | 29.1 | Very low | 162.8 Ų | 162.8 | 134 Ų | 134 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | -147.6 | 114.8 | 172.2 | -93.9 | -63.7 | 0 | 0 | 0 | 113.3 | L1525 | L1525-H1527 PolarHBondContact O-N 3.36Š| ||
| 1528 | D | 29 | Very low | 29.3 | Very low | 120.4 Ų | 120.4 | 130.1 Ų | 130.1 | 64% | 0.644 | 73% | 0.733 | S | S | * | * | trans | -134.6 | 145.9 | 148.3 | -81 | -34.8 | 0 | 0 | 0 | 113.9 | S1526 L1530 | S1526-D1528 PolarHBondContact OG-OD2 3.25Å; D1528-L1530 PolarHBondContact O-N 3.3Å | ||
| 1529 | H | 30.2 | Very low | 29.6 | Very low | 161.4 Ų | 161.4 | 128.1 Ų | 128.1 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | trans | 27.8 | 107.2 | 167.1 | -69.8 | -60.1 | 0 | 0 | 0 | 116.6 | L1531 D1532 | H1529-L1531 VanDerWaalsContact C-N 3.35Å; H1529-D1532 IonicContact CE1-OD2 2.68Å; H1529-D1532 IonicContact CG-OD2 2.79Å; H1529-D1532 IonicContact ND1-OD2 3.22Å; H1529-D1532 PolarHBondContact ND1-OD2 3.16Å | ||
| 1530 | L | 27.1 | Very low | 29.9 | Very low | 142.2 Ų | 142.2 | 125.8 Ų | 125.8 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | -140.3 | 131.4 | 122.3 | -94.6 | 167.8 | 0 | 0 | 0 | 112 | D1528 S1533 | D1528-L1530 PolarHBondContact O-N 3.3Å; L1530-S1533 PolarHBondContact O-OG 3.19Å | |||
| 1531 | L | 27.9 | Very low | 30.4 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | trans | 61 | 93.5 | 165.4 | -86.6 | 92.9 | 0 | 0 | 0 | 115.2 | H1529 S1533 Y1534 S1535 | H1529-L1531 VanDerWaalsContact C-N 3.35Å; L1531-S1533 VanDerWaalsContact C-N 3.27Å; L1531-S1533 PolarHBondContact O-N 3.29Å; L1531-Y1534 PolarHBondContact O-N 2.99Å; L1531-Y1534 VanDerWaalsContact O-N 3.1Å; L1531-S1535 PolarHBondContact O-N 3.38Å | ||
| 1532 | D | 27.5 | Very low | 31 | Very low | 125.8 Ų | 125.8 | 128.5 Ų | 128.5 | 67% | 0.673 | 69% | 0.69 | S | S | * | * | -120.6 | 123.5 | 105.9 | -83.8 | -30.6 | 0 | 0 | 0 | 113.6 | H1529 Y1534 S1535 S1536 | H1529-D1532 IonicContact CE1-OD2 2.68Å; H1529-D1532 IonicContact CG-OD2 2.79Å; H1529-D1532 IonicContact ND1-OD2 3.22Å; H1529-D1532 PolarHBondContact ND1-OD2 3.16Å; D1532-Y1534 VanDerWaalsContact C-N 3.32Å; D1532-Y1534 PolarHBondContact O-N 3.1Å; D1532-S1535 PolarHBondContact O-OG 3.09Å; D1532-S1536 PolarHBondContact O-N 3.49Å | |||
| 1533 | S | 28.4 | Very low | 31.7 | Very low | 88.4 Ų | 88.4 | 123.2 Ų | 123.2 | 62% | 0.618 | 67% | 0.671 | S | S | * | * | trans | -136.1 | 88.2 | 141.6 | 8.4 | 0 | 0 | 0 | 0 | 112.8 | L1530 L1531 S1536 | L1530-S1533 PolarHBondContact O-OG 3.19Å; L1531-S1533 VanDerWaalsContact C-N 3.27Å; L1531-S1533 PolarHBondContact O-N 3.29Å; S1533-S1536 PolarHBondContact O-OG 3.01Å | ||
| 1534 | Y | 28.7 | Very low | 32.4 | Very low | 218.2 Ų | 218.2 | 117.6 Ų | 117.6 | 86% | 0.856 | 65% | 0.649 | S | S | * | * | trans | -125.1 | 75.4 | 158.8 | -78.7 | -80 | 0 | 0 | 0 | 114.3 | L1531 D1532 S1536 L1537 | L1531-Y1534 PolarHBondContact O-N 2.99Å; L1531-Y1534 VanDerWaalsContact O-N 3.1Å; D1532-Y1534 VanDerWaalsContact C-N 3.32Å; D1532-Y1534 PolarHBondContact O-N 3.1Å; Y1534-S1536 VanDerWaalsContact C-N 3.33Å; Y1534-S1536 PolarHBondContact O-N 2.84Å; Y1534-L1537 PolarHBondContact O-N 2.96Å | ||
| 1535 | S | 31.2 | Very low | 33.2 | Very low | 92.4 Ų | 92.4 | 118.2 Ų | 118.2 | 65% | 0.646 | 64% | 0.64 | S | S | * | * | trans | -98.3 | 67.7 | 165.9 | 58.8 | 0 | 0 | 0 | 0 | 114 | L1531 D1532 L1537 G1538 L1539 | L1531-S1535 PolarHBondContact O-N 3.38Å; D1532-S1535 PolarHBondContact O-OG 3.09Å; S1535-L1537 VanDerWaalsContact C-N 3.29Å; S1535-L1537 PolarHBondContact O-N 3.3Å; S1535-G1538 PolarHBondContact O-N 3.09Å; S1535-L1539 WeakPolarHBondContact O-CB 3.45Å; S1535-L1539 WeakPolarHBondContact O-CD1 3.32Å; S1535-L1539 VanDerWaalsContact O-CG 3.27Å; S1535-L1539 WeakPolarHBondContact O-CG 3.27Å; S1535-L1539 PolarHBondContact O-N 2.99Å | ||
| 1536 | S | 34.8 | Very low | 34 | Very low | 88.4 Ų | 88.4 | 113.6 Ų | 113.6 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -49.1 | 4.9 | 175 | 64 | 0 | 0 | 0 | 0 | 115.9 | D1532 S1533 Y1534 G1538 L1539 H1540 | D1532-S1536 PolarHBondContact O-N 3.49Å; S1533-S1536 PolarHBondContact O-OG 3.01Å; Y1534-S1536 VanDerWaalsContact C-N 3.33Å; Y1534-S1536 PolarHBondContact O-N 2.84Å; S1536-G1538 VanDerWaalsContact C-N 3.3Å; S1536-G1538 PolarHBondContact O-N 3.18Å; S1536-L1539 PolarHBondContact O-N 2.94Å; S1536-H1540 VanDerWaalsContact O-CB 3.23Å; S1536-H1540 WeakPolarHBondContact O-CB 3.34Å; S1536-H1540 PolarHBondContact O-N 2.98Å |
| 1537 | L | 33.6 | Very low | 34.9 | Very low | 150.4 Ų | 150.4 | 113.1 Ų | 113.1 | 79% | 0.787 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -98.9 | -25.4 | 167.2 | -124.5 | 84.5 | 0 | 0 | 0 | 113 | Y1534 S1535 L1539 H1540 L1541 | Y1534-L1537 PolarHBondContact O-N 2.96Å; S1535-L1537 VanDerWaalsContact C-N 3.29Å; S1535-L1537 PolarHBondContact O-N 3.3Å; L1537-L1539 PolarHBondContact O-N 3.11Å; L1537-H1540 PolarHBondContact O-N 3.14Å; L1537-L1541 VanDerWaalsContact O-CB 3.32Å; L1537-L1541 WeakPolarHBondContact O-CB 3.44Å; L1537-L1541 PolarHBondContact O-N 3.19Å; L1537-L1541 VanDerWaalsContact O-N 3.08Å |
| 1538 | G | 35.6 | Very low | 35.5 | Very low | 56.6 Ų | 56.6 | 110 Ų | 110 | 58% | 0.584 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.2 | -36.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1535 S1536 H1540 L1541 L1542 | S1535-G1538 PolarHBondContact O-N 3.09Å; S1536-G1538 VanDerWaalsContact C-N 3.3Å; S1536-G1538 PolarHBondContact O-N 3.18Å; G1538-H1540 VanDerWaalsContact C-N 3.29Å; G1538-H1540 PolarHBondContact O-N 3.15Å; G1538-L1541 PolarHBondContact O-N 3.01Å; G1538-L1542 WeakPolarHBondContact O-CB 3.33Å; G1538-L1542 PolarHBondContact O-N 3.03Å |
| 1539 | L | 36.9 | Very low | 36 | Very low | 117.6 Ų | 117.6 | 109.2 Ų | 109.2 | 62% | 0.616 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -74.5 | -31.4 | -178.9 | -93.3 | 162.1 | 0 | 0 | 0 | 113.4 | S1535 S1536 L1537 L1543 | S1535-L1539 WeakPolarHBondContact O-CB 3.45Å; S1535-L1539 WeakPolarHBondContact O-CD1 3.32Å; S1535-L1539 VanDerWaalsContact O-CG 3.27Å; S1535-L1539 WeakPolarHBondContact O-CG 3.27Å; S1535-L1539 PolarHBondContact O-N 2.99Å; S1536-L1539 PolarHBondContact O-N 2.94Å; L1537-L1539 PolarHBondContact O-N 3.11Å; L1539-L1543 WeakPolarHBondContact O-CA 3.41Å; L1539-L1543 WeakPolarHBondContact O-CB 3.25Å; L1539-L1543 PolarHBondContact O-N 3.22Å |
| 1540 | H | 37.6 | Very low | 36.6 | Very low | 108.2 Ų | 108.2 | 105.6 Ų | 105.6 | 50% | 0.501 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -77.6 | -34.8 | -177 | -150.9 | -8.2 | 0 | 0 | 0 | 113.1 | D1259 A1260 L1261 Y1510 S1536 L1537 G1538 L1542 L1543 V1544 | D1259-H1540 PolarHBondContact O-CD2 3.47Å; A1260-H1540 VanDerWaalsContact CA-CE1 3.49Å; A1260-H1540 WeakPolarHBondContact CA-CE1 3.16Å; A1260-H1540 WeakPolarHBondContact CA-NE2 3.38Å; L1261-H1540 PolarHBondContact O-ND1 2.69Å; Y1510-H1540 AromaticContact CE1-NE2 3.54Å; Y1510-H1540 AromaticContact CZ-CE1 3.75Å; Y1510-H1540 AromaticContact CZ-NE2 3.37Å; Y1510-H1540 PolarHBondContact OH-CE1 3.17Å; Y1510-H1540 PolarHBondContact OH-NE2 3.42Å; S1536-H1540 VanDerWaalsContact O-CB 3.23Å; S1536-H1540 WeakPolarHBondContact O-CB 3.34Å; S1536-H1540 PolarHBondContact O-N 2.98Å; L1537-H1540 PolarHBondContact O-N 3.14Å; G1538-H1540 VanDerWaalsContact C-N 3.29Å; G1538-H1540 PolarHBondContact O-N 3.15Å; H1540-L1542 VanDerWaalsContact C-N 3.34Å; H1540-L1543 PolarHBondContact O-N 3.05Å; H1540-V1544 VanDerWaalsContact O-CB 3.3Å; H1540-V1544 WeakPolarHBondContact O-CB 3.35Å; H1540-V1544 VanDerWaalsContact O-CG2 3.23Å; H1540-V1544 WeakPolarHBondContact O-CG2 3.44Å; H1540-V1544 PolarHBondContact O-N 3.08Å |
| 1541 | L | 38.6 | Very low | 37.3 | Very low | 124.8 Ų | 124.8 | 101.9 Ų | 101.9 | 65% | 0.653 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.8 | -37.7 | 176.6 | -164.1 | 75.6 | 0 | 0 | 0 | 111.6 | L1537 G1538 V1544 L1545 | L1537-L1541 VanDerWaalsContact O-CB 3.32Å; L1537-L1541 WeakPolarHBondContact O-CB 3.44Å; L1537-L1541 PolarHBondContact O-N 3.19Å; L1537-L1541 VanDerWaalsContact O-N 3.08Å; G1538-L1541 PolarHBondContact O-N 3.01Å; L1541-V1544 HydrophobicContact CD1-CG2 4.5Å; L1541-V1544 WeakPolarHBondContact O-CA 3.41Å; L1541-V1544 WeakPolarHBondContact O-CB 3.31Å; L1541-V1544 PolarHBondContact O-N 3.21Å; L1541-L1545 HydrophobicContact CG-CD1 4.34Å; L1541-L1545 VanDerWaalsContact O-CB 3.3Å; L1541-L1545 WeakPolarHBondContact O-CB 3.42Å; L1541-L1545 WeakPolarHBondContact O-CG 3.26Å; L1541-L1545 PolarHBondContact O-N 3.19Å; L1541-L1545 VanDerWaalsContact O-N 3.15Å |
| 1542 | L | 39.5 | Very low | 38.1 | Very low | 85 Ų | 85 | 98.6 Ų | 98.6 | 45% | 0.445 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 177.2 | -166.8 | 108.2 | 0 | 0 | 0 | 111.6 | E1340 G1538 H1540 V1544 L1545 L1546 | E1340-L1542 WeakPolarHBondContact OE2-CD1 3.34Å; E1340-L1542 WeakPolarHBondContact OE2-CD2 3.12Å; E1340-L1542 WeakPolarHBondContact OE2-CG 3.03Å; G1538-L1542 WeakPolarHBondContact O-CB 3.33Å; G1538-L1542 PolarHBondContact O-N 3.03Å; H1540-L1542 VanDerWaalsContact C-N 3.34Å; L1542-V1544 VanDerWaalsContact C-N 3.26Å; L1542-V1544 PolarHBondContact O-N 3.31Å; L1542-V1544 VanDerWaalsContact O-N 3.07Å; L1542-L1545 WeakPolarHBondContact O-CB 3.35Å; L1542-L1545 PolarHBondContact O-N 3.1Å; L1542-L1546 HydrophobicContact CD2-CD1 3.74Å; L1542-L1546 HydrophobicContact CG-CD1 4.19Å; L1542-L1546 HydrophobicContact CG-CG 4.38Å; L1542-L1546 VanDerWaalsContact O-CB 3.25Å; L1542-L1546 WeakPolarHBondContact O-CB 3.27Å; L1542-L1546 WeakPolarHBondContact O-CG 3.4Å; L1542-L1546 PolarHBondContact O-N 3.23Å |
| 1543 | L | 41.6 | Very low | 38.7 | Very low | 83.2 Ų | 83.2 | 97.6 Ų | 97.6 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.8 | -30.5 | 174.8 | -165.5 | 74.8 | 0 | 0 | 0 | 111.9 | C1263 L1539 H1540 L1546 I1547 | C1263-L1543 WeakPolarHBondContact CA-O 3.31Å; C1263-L1543 WeakPolarHBondContact CB-O 3.02Å; C1263-L1543 PolarHBondContact SG-O 3.29Å; L1539-L1543 WeakPolarHBondContact O-CA 3.41Å; L1539-L1543 WeakPolarHBondContact O-CB 3.25Å; L1539-L1543 PolarHBondContact O-N 3.22Å; H1540-L1543 PolarHBondContact O-N 3.05Å; L1543-L1546 PolarHBondContact O-N 2.95Å; L1543-I1547 HydrophobicContact CD2-CD1 4.16Å; L1543-I1547 HydrophobicContact CG-CD1 3.96Å; L1543-I1547 HydrophobicContact CG-CG1 4.4Å; L1543-I1547 VanDerWaalsContact O-CB 3.24Å; L1543-I1547 WeakPolarHBondContact O-CB 3.41Å; L1543-I1547 WeakPolarHBondContact O-CD1 3.27Å; L1543-I1547 WeakPolarHBondContact O-CG1 3.39Å; L1543-I1547 PolarHBondContact O-N 3.28Å; L1543-I1547 VanDerWaalsContact O-N 3.12Å |
| 1544 | V | 44.9 | Very low | 39.5 | Very low | 63.2 Ų | 63.2 | 97 Ų | 97 | 38% | 0.383 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.1 | -32.7 | 174.9 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | L1261 C1263 T1264 H1540 L1541 L1542 L1546 I1547 K1548 | L1261-V1544 HydrophobicContact CB-CG2 3.92Å; C1263-V1544 CarbonylContact C-O 3.58Å; C1263-V1544 VanDerWaalsContact CA-C 3.41Å; C1263-V1544 WeakPolarHBondContact CA-O 3.29Å; C1263-V1544 PolarHBondContact N-O 2.97Å; T1264-V1544 PolarHBondContact N-O 3.08Å; H1540-V1544 VanDerWaalsContact O-CB 3.3Å; H1540-V1544 WeakPolarHBondContact O-CB 3.35Å; H1540-V1544 VanDerWaalsContact O-CG2 3.23Å; H1540-V1544 WeakPolarHBondContact O-CG2 3.44Å; H1540-V1544 PolarHBondContact O-N 3.08Å; L1541-V1544 HydrophobicContact CD1-CG2 4.5Å; L1541-V1544 WeakPolarHBondContact O-CA 3.41Å; L1541-V1544 WeakPolarHBondContact O-CB 3.31Å; L1541-V1544 PolarHBondContact O-N 3.21Å; L1542-V1544 VanDerWaalsContact C-N 3.26Å; L1542-V1544 PolarHBondContact O-N 3.31Å; L1542-V1544 VanDerWaalsContact O-N 3.07Å; V1544-L1546 PolarHBondContact O-N 2.87Å; V1544-I1547 PolarHBondContact O-N 3.03Å; V1544-K1548 WeakPolarHBondContact O-CB 3.42Å; V1544-K1548 PolarHBondContact O-N 3.24Å; V1544-K1548 VanDerWaalsContact O-N 3.12Å |
| 1545 | L | 43.4 | Very low | 40.1 | Very low | 95.2 Ų | 95.2 | 91.8 Ų | 91.8 | 50% | 0.498 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.1 | -45.4 | 174.6 | -86.2 | 147.1 | 0 | 0 | 0 | 112.6 | T1264 Q1265 L1541 L1542 I1547 K1548 M1549 | T1264-L1545 PolarHBondContact N-O 3.36Å; T1264-L1545 VanDerWaalsContact N-O 3.15Å; Q1265-L1545 HydrophobicContact CG-CB 3.74Å; Q1265-L1545 HydrophobicContact CG-CD2 4.34Å; Q1265-L1545 HydrophobicContact CG-CG 4.18Å; Q1265-L1545 VanDerWaalsContact CG-O 3.22Å; Q1265-L1545 WeakPolarHBondContact CG-O 3.28Å; Q1265-L1545 PolarHBondContact N-O 2.84Å; Q1265-L1545 VanDerWaalsContact OE1-C 3.24Å; Q1265-L1545 PolarHBondContact OE1-O 3.34Å; Q1265-L1545 VanDerWaalsContact OE1-O 3.08Å; L1541-L1545 HydrophobicContact CG-CD1 4.34Å; L1541-L1545 VanDerWaalsContact O-CB 3.3Å; L1541-L1545 WeakPolarHBondContact O-CB 3.42Å; L1541-L1545 WeakPolarHBondContact O-CG 3.26Å; L1541-L1545 PolarHBondContact O-N 3.19Å; L1541-L1545 VanDerWaalsContact O-N 3.15Å; L1542-L1545 WeakPolarHBondContact O-CB 3.35Å; L1542-L1545 PolarHBondContact O-N 3.1Å; L1545-I1547 VanDerWaalsContact C-N 3.33Å; L1545-I1547 PolarHBondContact O-N 2.68Å; L1545-K1548 HydrophobicContact CD2-CD 4.22Å; L1545-K1548 WeakPolarHBondContact O-CB 3.1Å; L1545-K1548 PolarHBondContact O-N 3Å; L1545-M1549 VanDerWaalsContact O-CB 3.24Å; L1545-M1549 WeakPolarHBondContact O-CB 3.15Å; L1545-M1549 VanDerWaalsContact O-CG 3.27Å; L1545-M1549 WeakPolarHBondContact O-CG 3.35Å; L1545-M1549 PolarHBondContact O-N 3.07Å |
| 1546 | L | 42.6 | Very low | 40.7 | Very low | 65.8 Ų | 65.8 | 89.7 Ų | 89.7 | 35% | 0.345 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | -179.8 | -79.8 | 165.8 | 0 | 0 | 0 | 113.4 | Q1265 T1506 L1542 L1543 V1544 K1548 M1549 M1550 | Q1265-L1546 PolarHBondContact OE1-O 2.7Å; T1506-L1546 HydrophobicContact CG2-CD2 4.16Å; L1542-L1546 HydrophobicContact CD2-CD1 3.74Å; L1542-L1546 HydrophobicContact CG-CD1 4.19Å; L1542-L1546 HydrophobicContact CG-CG 4.38Å; L1542-L1546 VanDerWaalsContact O-CB 3.25Å; L1542-L1546 WeakPolarHBondContact O-CB 3.27Å; L1542-L1546 WeakPolarHBondContact O-CG 3.4Å; L1542-L1546 PolarHBondContact O-N 3.23Å; L1543-L1546 PolarHBondContact O-N 2.95Å; V1544-L1546 PolarHBondContact O-N 2.87Å; L1546-K1548 VanDerWaalsContact C-N 3.31Å; L1546-K1548 PolarHBondContact O-N 3.07Å; L1546-M1549 CarbonylContact O-C 3.54Å; L1546-M1549 PolarHBondContact O-N 3.06Å; L1546-M1549 VanDerWaalsContact O-N 3.17Å; L1546-M1550 HydrophobicContact CD2-CE 4.1Å; L1546-M1550 HydrophobicContact CD2-CG 4.35Å; L1546-M1550 WeakPolarHBondContact O-CA 3.15Å; L1546-M1550 WeakPolarHBondContact O-CB 3.29Å; L1546-M1550 VanDerWaalsContact O-CG 3.29Å; L1546-M1550 WeakPolarHBondContact O-CG 3.34Å; L1546-M1550 PolarHBondContact O-N 3.09Å |
| 1547 | I | 46.3 | Very low | 40.9 | Very low | 79 Ų | 79 | 88.5 Ų | 88.5 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70 | -36.5 | 179.6 | -73.2 | 168.5 | 0 | 0 | 0 | 112 | C1263 P1505 L1543 V1544 L1545 M1549 M1550 T1551 | C1263-I1547 HydrophobicContact CB-CB 3.97Å; C1263-I1547 HydrophobicContact CB-CD1 3.99Å; C1263-I1547 HydrophobicContact CB-CG1 4.26Å; C1263-I1547 VanDerWaalsContact O-CB 3.23Å; C1263-I1547 WeakPolarHBondContact O-CB 2.85Å; C1263-I1547 VanDerWaalsContact O-CG2 3.24Å; C1263-I1547 WeakPolarHBondContact O-CG2 3.12Å; C1263-I1547 VanDerWaalsContact SG-CB 3.52Å; C1263-I1547 WeakPolarHBondContact SG-CG1 3.17Å; C1263-I1547 PolarHBondContact SG-N 3.15Å; C1263-I1547 VanDerWaalsContact SG-N 3.37Å; P1505-I1547 HydrophobicContact CB-CD1 4.04Å; P1505-I1547 HydrophobicContact CG-CD1 4.48Å; L1543-I1547 HydrophobicContact CD2-CD1 4.16Å; L1543-I1547 HydrophobicContact CG-CD1 3.96Å; L1543-I1547 HydrophobicContact CG-CG1 4.4Å; L1543-I1547 VanDerWaalsContact O-CB 3.24Å; L1543-I1547 WeakPolarHBondContact O-CB 3.41Å; L1543-I1547 WeakPolarHBondContact O-CD1 3.27Å; L1543-I1547 WeakPolarHBondContact O-CG1 3.39Å; L1543-I1547 PolarHBondContact O-N 3.28Å; L1543-I1547 VanDerWaalsContact O-N 3.12Å; V1544-I1547 PolarHBondContact O-N 3.03Å; L1545-I1547 VanDerWaalsContact C-N 3.33Å; L1545-I1547 PolarHBondContact O-N 2.68Å; I1547-M1549 VanDerWaalsContact C-N 3.34Å; I1547-M1549 PolarHBondContact O-N 3.34Å; I1547-M1550 WeakPolarHBondContact O-CB 3.42Å; I1547-M1550 PolarHBondContact O-N 3.3Å; I1547-T1551 HydrophobicContact CG2-CG2 4.2Å; I1547-T1551 WeakPolarHBondContact O-CA 3.46Å; I1547-T1551 VanDerWaalsContact O-CB 3.25Å; I1547-T1551 WeakPolarHBondContact O-CB 3.42Å; I1547-T1551 WeakPolarHBondContact O-CG2 3.39Å; I1547-T1551 PolarHBondContact O-N 2.92Å; I1547-T1551 PolarHBondContact O-OG1 3.16Å |
| 1548 | K | 40.8 | Very low | 41.4 | Very low | 98.4 Ų | 98.4 | 83.9 Ų | 83.9 | 43% | 0.428 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -73.3 | -29.8 | 177.7 | -149 | 176.1 | -175.5 | 176.2 | 0 | 113 | T1264 Q1265 Q1266 V1500 V1544 L1545 L1546 M1550 T1551 I1552 C1749 E1750 | T1264-K1548 VanDerWaalsContact C-CB 3.47Å; T1264-K1548 HydrophobicContact CG2-CD 3.74Å; T1264-K1548 VanDerWaalsContact CG2-CE 3.48Å; T1264-K1548 HydrophobicContact CG2-CG 3.76Å; Q1265-K1548 CarbonylContact O-C 3.5Å; Q1265-K1548 WeakPolarHBondContact O-CB 3.27Å; Q1266-K1548 HydrophobicContact CB-CB 4.24Å; Q1266-K1548 HydrophobicContact CB-CD 3.9Å; Q1266-K1548 HydrophobicContact CG-CD 4.12Å; V1500-K1548 PolarHBondContact O-NZ 3.22Å; V1544-K1548 WeakPolarHBondContact O-CB 3.42Å; V1544-K1548 PolarHBondContact O-N 3.24Å; V1544-K1548 VanDerWaalsContact O-N 3.12Å; L1545-K1548 HydrophobicContact CD2-CD 4.22Å; L1545-K1548 WeakPolarHBondContact O-CB 3.1Å; L1545-K1548 PolarHBondContact O-N 3Å; L1546-K1548 VanDerWaalsContact C-N 3.31Å; L1546-K1548 PolarHBondContact O-N 3.07Å; K1548-M1550 PolarHBondContact O-N 2.75Å; K1548-T1551 WeakPolarHBondContact CA-OG1 3.36Å; K1548-T1551 HydrophobicContact CB-CG2 4.25Å; K1548-T1551 WeakPolarHBondContact CB-OG1 3.24Å; K1548-T1551 HydrophobicContact CD-CG2 4.19Å; K1548-T1551 WeakPolarHBondContact CD-OG1 2.91Å; K1548-T1551 HydrophobicContact CG-CG2 3.65Å; K1548-T1551 VanDerWaalsContact CG-OG1 3.27Å; K1548-T1551 WeakPolarHBondContact CG-OG1 3.49Å; K1548-T1551 PolarHBondContact O-N 3.39Å; K1548-T1551 PolarHBondContact O-OG1 3.08Å; K1548-T1551 VanDerWaalsContact O-OG1 3.07Å; K1548-I1552 HydrophobicContact CG-CD1 3.91Å; K1548-I1552 VanDerWaalsContact O-CB 3.27Å; K1548-I1552 WeakPolarHBondContact O-CB 3.42Å; K1548-I1552 WeakPolarHBondContact O-CD1 3.38Å; K1548-I1552 WeakPolarHBondContact O-CG1 3.34Å; K1548-I1552 PolarHBondContact O-N 3Å; K1548-I1552 VanDerWaalsContact O-N 3.11Å; K1548-C1749 HydrophobicContact CD-CB 3.94Å; K1548-C1749 HydrophobicContact CG-CB 4.23Å; K1548-E1750 IonicContact NZ-OE1 2.68Å; K1548-E1750 PolarHBondContact NZ-OE1 3.41Å |
| 1549 | M | 39.5 | Very low | 41.8 | Very low | 103.8 Ų | 103.8 | 85.6 Ų | 85.6 | 51% | 0.511 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 170 | -77.1 | -93.5 | 137.7 | 0 | 0 | 112 | Q1265 L1267 L1545 L1546 I1547 T1551 R1553 E1937 | Q1265-M1549 HydrophobicContact CB-CG 4Å; Q1265-M1549 HydrophobicContact CG-CG 4.37Å; Q1265-M1549 PolarHBondContact O-N 3.12Å; L1267-M1549 HydrophobicContact CD1-CE 4.09Å; L1267-M1549 HydrophobicContact CD1-SD 3.35Å; L1267-M1549 WeakPolarHBondContact CD1-SD 3.11Å; L1267-M1549 HydrophobicContact CG-CE 4.27Å; L1267-M1549 HydrophobicContact CG-SD 4.01Å; L1545-M1549 VanDerWaalsContact O-CB 3.24Å; L1545-M1549 WeakPolarHBondContact O-CB 3.15Å; L1545-M1549 VanDerWaalsContact O-CG 3.27Å; L1545-M1549 WeakPolarHBondContact O-CG 3.35Å; L1545-M1549 PolarHBondContact O-N 3.07Å; L1546-M1549 CarbonylContact O-C 3.54Å; L1546-M1549 PolarHBondContact O-N 3.06Å; L1546-M1549 VanDerWaalsContact O-N 3.17Å; I1547-M1549 VanDerWaalsContact C-N 3.34Å; I1547-M1549 PolarHBondContact O-N 3.34Å; M1549-T1551 VanDerWaalsContact C-N 3.27Å; M1549-T1551 PolarHBondContact O-N 3.48Å; M1549-R1553 VanDerWaalsContact O-CB 3.24Å; M1549-R1553 WeakPolarHBondContact O-CB 3.34Å; M1549-R1553 WeakPolarHBondContact O-CG 3.38Å; M1549-R1553 PolarHBondContact O-N 3.18Å; M1549-E1937 VanDerWaalsContact CE-O 3.23Å; M1549-E1937 WeakPolarHBondContact CE-O 3.46Å |
| 1550 | M | 41.9 | Very low | 42.1 | Very low | 84 Ų | 84 | 84.3 Ų | 84.3 | 41% | 0.414 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.2 | -35.3 | 177.8 | -72.7 | -146.8 | 91.3 | 0 | 0 | 113.2 | L1546 I1547 K1548 I1552 R1553 L1554 | L1546-M1550 HydrophobicContact CD2-CE 4.1Å; L1546-M1550 HydrophobicContact CD2-CG 4.35Å; L1546-M1550 WeakPolarHBondContact O-CA 3.15Å; L1546-M1550 WeakPolarHBondContact O-CB 3.29Å; L1546-M1550 VanDerWaalsContact O-CG 3.29Å; L1546-M1550 WeakPolarHBondContact O-CG 3.34Å; L1546-M1550 PolarHBondContact O-N 3.09Å; I1547-M1550 WeakPolarHBondContact O-CB 3.42Å; I1547-M1550 PolarHBondContact O-N 3.3Å; K1548-M1550 PolarHBondContact O-N 2.75Å; M1550-I1552 VanDerWaalsContact C-N 3.25Å; M1550-I1552 PolarHBondContact O-N 3.07Å; M1550-I1552 VanDerWaalsContact O-N 3.1Å; M1550-R1553 PolarHBondContact O-N 3.25Å; M1550-L1554 HydrophobicContact CB-CB 4Å; M1550-L1554 HydrophobicContact CB-CD1 4.32Å; M1550-L1554 HydrophobicContact CE-CD1 4.19Å; M1550-L1554 HydrophobicContact CG-CD1 4.16Å; M1550-L1554 WeakPolarHBondContact O-CA 3.38Å; M1550-L1554 WeakPolarHBondContact O-CB 3.4Å; M1550-L1554 WeakPolarHBondContact O-CD1 3.42Å; M1550-L1554 PolarHBondContact O-N 2.97Å; M1550-L1554 HydrophobicContact SD-CB 4.03Å; M1550-L1554 HydrophobicContact SD-CD1 3.59Å; M1550-L1554 VanDerWaalsContact SD-CD1 3.59Å; M1550-L1554 HydrophobicContact SD-CG 4.43Å |
| 1551 | T | 43.1 | Very low | 42.4 | Very low | 66.2 Ų | 66.2 | 84.3 Ų | 84.3 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.7 | -30.3 | -176.6 | 50 | 0 | 0 | 0 | 0 | 113.1 | F1503 I1547 K1548 M1549 R1553 L1554 F1555 | F1503-T1551 HydrophobicContact CB-CG2 3.5Å; F1503-T1551 VanDerWaalsContact CB-CG2 3.5Å; F1503-T1551 HydrophobicContact CD1-CG2 4.15Å; F1503-T1551 HydrophobicContact CD2-CG2 3.59Å; F1503-T1551 HydrophobicContact CE2-CG2 4.27Å; F1503-T1551 HydrophobicContact CG-CG2 3.5Å; F1503-T1551 VanDerWaalsContact CG-CG2 3.5Å; I1547-T1551 HydrophobicContact CG2-CG2 4.2Å; I1547-T1551 WeakPolarHBondContact O-CA 3.46Å; I1547-T1551 VanDerWaalsContact O-CB 3.25Å; I1547-T1551 WeakPolarHBondContact O-CB 3.42Å; I1547-T1551 WeakPolarHBondContact O-CG2 3.39Å; I1547-T1551 PolarHBondContact O-N 2.92Å; I1547-T1551 PolarHBondContact O-OG1 3.16Å; K1548-T1551 WeakPolarHBondContact CA-OG1 3.36Å; K1548-T1551 HydrophobicContact CB-CG2 4.25Å; K1548-T1551 WeakPolarHBondContact CB-OG1 3.24Å; K1548-T1551 HydrophobicContact CD-CG2 4.19Å; K1548-T1551 WeakPolarHBondContact CD-OG1 2.91Å; K1548-T1551 HydrophobicContact CG-CG2 3.65Å; K1548-T1551 VanDerWaalsContact CG-OG1 3.27Å; K1548-T1551 WeakPolarHBondContact CG-OG1 3.49Å; K1548-T1551 PolarHBondContact O-N 3.39Å; K1548-T1551 PolarHBondContact O-OG1 3.08Å; K1548-T1551 VanDerWaalsContact O-OG1 3.07Å; M1549-T1551 VanDerWaalsContact C-N 3.27Å; M1549-T1551 PolarHBondContact O-N 3.48Å; T1551-R1553 PolarHBondContact O-N 3.41Å; T1551-L1554 WeakPolarHBondContact O-CB 3.45Å; T1551-L1554 PolarHBondContact O-N 3.31Å; T1551-L1554 VanDerWaalsContact O-N 3.14Å; T1551-F1555 WeakPolarHBondContact O-CA 3.33Å; T1551-F1555 WeakPolarHBondContact O-CB 3.4Å; T1551-F1555 WeakPolarHBondContact O-CD2 3.44Å; T1551-F1555 PolarHBondContact O-N 2.78Å |
| 1552 | I | 44.6 | Very low | 42.9 | Very low | 76.8 Ų | 76.8 | 82.9 Ų | 82.9 | 39% | 0.394 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -79.5 | -34.9 | -179.6 | -68.7 | -176.2 | 0 | 0 | 0 | 112 | Q1266 L1267 D1268 M1269 K1548 M1550 L1554 F1555 S1556 T1745 Q1939 V1942 | Q1266-I1552 HydrophobicContact CB-CD1 4.35Å; Q1266-I1552 HydrophobicContact CB-CG1 4.38Å; Q1266-I1552 HydrophobicContact CG-CD1 3.31Å; Q1266-I1552 HydrophobicContact CG-CG1 3.55Å; L1267-I1552 HydrophobicContact CB-CB 4.16Å; L1267-I1552 HydrophobicContact CB-CG1 4.38Å; L1267-I1552 HydrophobicContact CB-CG2 3.99Å; L1267-I1552 VanDerWaalsContact N-CG1 3.25Å; L1267-I1552 WeakPolarHBondContact O-CG2 2.11Å; D1268-I1552 VanDerWaalsContact CA-CG2 3.49Å; D1268-I1552 HydrophobicContact CB-CD1 3.79Å; D1268-I1552 VanDerWaalsContact OD1-CD1 3.26Å; D1268-I1552 WeakPolarHBondContact OD1-CD1 2.12Å; D1268-I1552 WeakPolarHBondContact OD2-CD1 3.47Å; M1269-I1552 HydrophobicContact CG-CG2 3.95Å; M1269-I1552 WeakPolarHBondContact CG-O 3.46Å; K1548-I1552 HydrophobicContact CG-CD1 3.91Å; K1548-I1552 VanDerWaalsContact O-CB 3.27Å; K1548-I1552 WeakPolarHBondContact O-CB 3.42Å; K1548-I1552 WeakPolarHBondContact O-CD1 3.38Å; K1548-I1552 WeakPolarHBondContact O-CG1 3.34Å; K1548-I1552 PolarHBondContact O-N 3Å; K1548-I1552 VanDerWaalsContact O-N 3.11Å; M1550-I1552 VanDerWaalsContact C-N 3.25Å; M1550-I1552 PolarHBondContact O-N 3.07Å; M1550-I1552 VanDerWaalsContact O-N 3.1Å; I1552-L1554 PolarHBondContact O-N 3.08Å; I1552-F1555 WeakPolarHBondContact O-CB 3.39Å; I1552-F1555 PolarHBondContact O-N 2.98Å; I1552-F1555 VanDerWaalsContact O-N 3.09Å; I1552-S1556 WeakPolarHBondContact O-CB 3.32Å; I1552-S1556 PolarHBondContact O-N 3.4Å; I1552-S1556 VanDerWaalsContact O-N 3.12Å; I1552-T1745 HydrophobicContact CG1-CG2 4.11Å; I1552-Q1939 HydrophobicContact CD1-CG 3.7Å; I1552-V1942 HydrophobicContact CG2-CG2 3.75Å; I1552-V1942 VanDerWaalsContact O-CG2 3.25Å; I1552-V1942 WeakPolarHBondContact O-CG2 3.26Å |
| 1553 | R | 40.1 | Very low | 43.1 | Very low | 104.8 Ų | 104.8 | 80.2 Ų | 80.2 | 40% | 0.395 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -75.2 | -32.1 | 174.3 | -87.9 | 179.1 | 174.9 | -177.8 | -1.9 | 113.3 | V1500 F1503 M1549 M1550 T1551 F1555 S1556 M1557 S1935 G1936 | V1500-R1553 HydrophobicContact CG1-CB 4.13Å; V1500-R1553 HydrophobicContact CG1-CG 4.4Å; F1503-R1553 VanDerWaalsContact O-CZ 3.3Å; F1503-R1553 PolarHBondContact O-NH1 3.31Å; F1503-R1553 PolarHBondContact O-NH2 3.49Å; M1549-R1553 VanDerWaalsContact O-CB 3.24Å; M1549-R1553 WeakPolarHBondContact O-CB 3.34Å; M1549-R1553 WeakPolarHBondContact O-CG 3.38Å; M1549-R1553 PolarHBondContact O-N 3.18Å; M1550-R1553 PolarHBondContact O-N 3.25Å; T1551-R1553 PolarHBondContact O-N 3.41Å; R1553-F1555 VanDerWaalsContact C-N 3.32Å; R1553-F1555 PolarHBondContact O-N 3.37Å; R1553-F1555 VanDerWaalsContact O-N 3.15Å; R1553-S1556 PolarHBondContact O-N 3.06Å; R1553-M1557 VanDerWaalsContact O-CB 3.29Å; R1553-M1557 WeakPolarHBondContact O-CB 3.35Å; R1553-M1557 VanDerWaalsContact O-CG 3.3Å; R1553-M1557 WeakPolarHBondContact O-CG 3.13Å; R1553-M1557 PolarHBondContact O-N 3.27Å; R1553-M1557 VanDerWaalsContact O-N 3.09Å; R1553-S1935 WeakPolarHBondContact CD-O 3.44Å; R1553-S1935 VanDerWaalsContact CG-O 3.3Å; R1553-S1935 WeakPolarHBondContact CG-O 3.48Å; R1553-S1935 PolarHBondContact NE-O 3.19Å; R1553-G1936 VanDerWaalsContact CA-O 3.3Å; R1553-G1936 WeakPolarHBondContact CA-O 3.3Å |
| 1554 | L | 43.5 | Very low | 43.2 | Very low | 75.2 Ų | 75.2 | 80.3 Ų | 80.3 | 39% | 0.394 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.4 | -35.1 | 178.5 | -144.5 | 69.6 | 0 | 0 | 0 | 112.8 | L1498 F1503 M1550 T1551 I1552 S1556 M1557 T1558 | L1498-L1554 HydrophobicContact CD2-CD2 4.1Å; F1503-L1554 HydrophobicContact CE2-CD2 3.83Å; F1503-L1554 HydrophobicContact CZ-CD2 3.71Å; M1550-L1554 HydrophobicContact CB-CB 4Å; M1550-L1554 HydrophobicContact CB-CD1 4.32Å; M1550-L1554 HydrophobicContact CE-CD1 4.19Å; M1550-L1554 HydrophobicContact CG-CD1 4.16Å; M1550-L1554 WeakPolarHBondContact O-CA 3.38Å; M1550-L1554 WeakPolarHBondContact O-CB 3.4Å; M1550-L1554 WeakPolarHBondContact O-CD1 3.42Å; M1550-L1554 PolarHBondContact O-N 2.97Å; M1550-L1554 HydrophobicContact SD-CB 4.03Å; M1550-L1554 HydrophobicContact SD-CD1 3.59Å; M1550-L1554 VanDerWaalsContact SD-CD1 3.59Å; M1550-L1554 HydrophobicContact SD-CG 4.43Å; T1551-L1554 WeakPolarHBondContact O-CB 3.45Å; T1551-L1554 PolarHBondContact O-N 3.31Å; T1551-L1554 VanDerWaalsContact O-N 3.14Å; I1552-L1554 PolarHBondContact O-N 3.08Å; L1554-S1556 VanDerWaalsContact C-N 3.28Å; L1554-S1556 PolarHBondContact O-N 3.5Å; L1554-M1557 PolarHBondContact O-N 3.2Å; L1554-T1558 HydrophobicContact CD1-CG2 3.71Å; L1554-T1558 HydrophobicContact CD2-CG2 4.22Å; L1554-T1558 HydrophobicContact CG-CG2 3.87Å; L1554-T1558 VanDerWaalsContact O-CB 3.27Å; L1554-T1558 WeakPolarHBondContact O-CB 3.38Å; L1554-T1558 VanDerWaalsContact O-CG2 3.29Å; L1554-T1558 WeakPolarHBondContact O-CG2 3.43Å; L1554-T1558 PolarHBondContact O-N 3.17Å; L1554-T1558 PolarHBondContact O-OG1 3.32Å |
| 1555 | F | 42.3 | Very low | 43.4 | Very low | 108 Ų | 108 | 83.6 Ų | 83.6 | 47% | 0.474 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69 | -39 | -179.4 | -142 | -90.8 | 0 | 0 | 0 | 112.3 | D1268 L1498 T1551 I1552 R1553 M1557 T1558 Q1559 T1741 T1745 V1942 | D1268-F1555 WeakPolarHBondContact OD1-CB 3.35Å; L1498-F1555 WeakPolarHBondContact O-CE1 3.23Å; L1498-F1555 WeakPolarHBondContact O-CZ 3.19Å; T1551-F1555 WeakPolarHBondContact O-CA 3.33Å; T1551-F1555 WeakPolarHBondContact O-CB 3.4Å; T1551-F1555 WeakPolarHBondContact O-CD2 3.44Å; T1551-F1555 PolarHBondContact O-N 2.78Å; I1552-F1555 WeakPolarHBondContact O-CB 3.39Å; I1552-F1555 PolarHBondContact O-N 2.98Å; I1552-F1555 VanDerWaalsContact O-N 3.09Å; R1553-F1555 VanDerWaalsContact C-N 3.32Å; R1553-F1555 PolarHBondContact O-N 3.37Å; R1553-F1555 VanDerWaalsContact O-N 3.15Å; F1555-M1557 VanDerWaalsContact C-N 3.28Å; F1555-M1557 PolarHBondContact O-N 3Å; F1555-T1558 WeakPolarHBondContact O-CB 3.31Å; F1555-T1558 PolarHBondContact O-N 2.94Å; F1555-T1558 VanDerWaalsContact O-N 3.12Å; F1555-T1558 PolarHBondContact O-OG1 3.28Å; F1555-Q1559 HydrophobicContact CD1-CG 4.36Å; F1555-Q1559 VanDerWaalsContact CE1-CD 3.44Å; F1555-Q1559 HydrophobicContact CE1-CG 4.11Å; F1555-Q1559 VanDerWaalsContact CE1-NE2 3.28Å; F1555-Q1559 VanDerWaalsContact CE1-OE1 3.27Å; F1555-Q1559 VanDerWaalsContact CZ-NE2 3.28Å; F1555-Q1559 WeakPolarHBondContact O-CB 3.34Å; F1555-Q1559 VanDerWaalsContact O-CG 3.3Å; F1555-Q1559 WeakPolarHBondContact O-CG 3.24Å; F1555-Q1559 PolarHBondContact O-N 3.32Å; F1555-T1741 HydrophobicContact CD1-CG2 4.03Å; F1555-T1741 HydrophobicContact CE1-CG2 3.47Å; F1555-T1741 VanDerWaalsContact CE1-CG2 3.47Å; F1555-T1741 HydrophobicContact CZ-CG2 4.31Å; F1555-T1745 HydrophobicContact CD2-CG2 4.23Å; F1555-V1942 HydrophobicContact CB-CG1 3.88Å; F1555-V1942 HydrophobicContact CB-CG2 4.08Å |
| 1556 | S | 42.4 | Very low | 43.6 | Very low | 49 Ų | 49 | 81.2 Ų | 81.2 | 34% | 0.343 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 175.4 | 169.5 | 0 | 0 | 0 | 0 | 112.7 | D1270 I1552 R1553 L1554 T1558 Q1559 Q1560 | D1270-S1556 WeakPolarHBondContact OD2-CA 2.87Å; D1270-S1556 WeakPolarHBondContact OD2-CB 2.83Å; D1270-S1556 PolarHBondContact OD2-OG 3.05Å; I1552-S1556 WeakPolarHBondContact O-CB 3.32Å; I1552-S1556 PolarHBondContact O-N 3.4Å; I1552-S1556 VanDerWaalsContact O-N 3.12Å; R1553-S1556 PolarHBondContact O-N 3.06Å; L1554-S1556 VanDerWaalsContact C-N 3.28Å; L1554-S1556 PolarHBondContact O-N 3.5Å; S1556-T1558 PolarHBondContact O-N 3.1Å; S1556-Q1559 PolarHBondContact O-N 2.88Å; S1556-Q1560 WeakPolarHBondContact O-CB 3.37Å; S1556-Q1560 WeakPolarHBondContact O-CG 3.3Å; S1556-Q1560 PolarHBondContact O-N 2.89Å |
| 1557 | M | 40.1 | Very low | 43.8 | Very low | 63.8 Ų | 63.8 | 81.4 Ų | 81.4 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.2 | -31.7 | -176.2 | -70.3 | -71.7 | -163.2 | 0 | 0 | 113.2 | P1497 R1553 L1554 F1555 Q1559 Q1560 F1561 | P1497-M1557 HydrophobicContact CB-CE 4.16Å; P1497-M1557 HydrophobicContact CG-CE 4.01Å; R1553-M1557 VanDerWaalsContact O-CB 3.29Å; R1553-M1557 WeakPolarHBondContact O-CB 3.35Å; R1553-M1557 VanDerWaalsContact O-CG 3.3Å; R1553-M1557 WeakPolarHBondContact O-CG 3.13Å; R1553-M1557 PolarHBondContact O-N 3.27Å; R1553-M1557 VanDerWaalsContact O-N 3.09Å; L1554-M1557 PolarHBondContact O-N 3.2Å; F1555-M1557 VanDerWaalsContact C-N 3.28Å; F1555-M1557 PolarHBondContact O-N 3Å; M1557-Q1559 VanDerWaalsContact C-N 3.34Å; M1557-Q1559 PolarHBondContact O-N 3.1Å; M1557-Q1560 CarbonylContact O-C 3.51Å; M1557-Q1560 PolarHBondContact O-N 2.81Å; M1557-Q1560 VanDerWaalsContact O-N 3.15Å; M1557-F1561 HydrophobicContact CB-CD2 4.45Å; M1557-F1561 WeakPolarHBondContact O-CB 3.23Å; M1557-F1561 VanDerWaalsContact O-CD2 3.26Å; M1557-F1561 WeakPolarHBondContact O-CD2 3.36Å; M1557-F1561 WeakPolarHBondContact O-CG 3.4Å; M1557-F1561 PolarHBondContact O-N 2.92Å |
| 1558 | T | 44.9 | Very low | 43.9 | Very low | 54 Ų | 54 | 80.1 Ų | 80.1 | 33% | 0.331 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -78.5 | -29.5 | -176.4 | 40.8 | 0 | 0 | 0 | 0 | 113.2 | L1493 L1499 L1554 F1555 S1556 Q1560 F1561 I1562 | L1493-T1558 HydrophobicContact CD2-CG2 3.96Å; L1499-T1558 HydrophobicContact CD2-CG2 4.4Å; L1554-T1558 HydrophobicContact CD1-CG2 3.71Å; L1554-T1558 HydrophobicContact CD2-CG2 4.22Å; L1554-T1558 HydrophobicContact CG-CG2 3.87Å; L1554-T1558 VanDerWaalsContact O-CB 3.27Å; L1554-T1558 WeakPolarHBondContact O-CB 3.38Å; L1554-T1558 VanDerWaalsContact O-CG2 3.29Å; L1554-T1558 WeakPolarHBondContact O-CG2 3.43Å; L1554-T1558 PolarHBondContact O-N 3.17Å; L1554-T1558 PolarHBondContact O-OG1 3.32Å; F1555-T1558 WeakPolarHBondContact O-CB 3.31Å; F1555-T1558 PolarHBondContact O-N 2.94Å; F1555-T1558 VanDerWaalsContact O-N 3.12Å; F1555-T1558 PolarHBondContact O-OG1 3.28Å; S1556-T1558 PolarHBondContact O-N 3.1Å; T1558-Q1560 VanDerWaalsContact C-N 3.34Å; T1558-F1561 PolarHBondContact O-N 3.23Å; T1558-I1562 HydrophobicContact CG2-CD1 4.45Å; T1558-I1562 VanDerWaalsContact O-CB 3.3Å; T1558-I1562 WeakPolarHBondContact O-CB 3.29Å; T1558-I1562 WeakPolarHBondContact O-CD1 3.21Å; T1558-I1562 VanDerWaalsContact O-CG1 3.27Å; T1558-I1562 WeakPolarHBondContact O-CG1 3.25Å; T1558-I1562 PolarHBondContact O-N 3.23Å |
| 1559 | Q | 43.8 | Very low | 44.3 | Very low | 92.4 Ų | 92.4 | 80.5 Ų | 80.5 | 43% | 0.432 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.7 | -31.9 | 179 | -95.2 | 175.4 | -37.8 | 0 | 0 | 112.8 | R1271 F1555 S1556 M1557 F1561 I1562 G1563 T1741 V1942 E1945 C1949 | R1271-Q1559 VanDerWaalsContact CZ-OE1 3.24Å; R1271-Q1559 VanDerWaalsContact NH2-OE1 3.08Å; F1555-Q1559 HydrophobicContact CD1-CG 4.36Å; F1555-Q1559 VanDerWaalsContact CE1-CD 3.44Å; F1555-Q1559 HydrophobicContact CE1-CG 4.11Å; F1555-Q1559 VanDerWaalsContact CE1-NE2 3.28Å; F1555-Q1559 VanDerWaalsContact CE1-OE1 3.27Å; F1555-Q1559 VanDerWaalsContact CZ-NE2 3.28Å; F1555-Q1559 WeakPolarHBondContact O-CB 3.34Å; F1555-Q1559 VanDerWaalsContact O-CG 3.3Å; F1555-Q1559 WeakPolarHBondContact O-CG 3.24Å; F1555-Q1559 PolarHBondContact O-N 3.32Å; S1556-Q1559 PolarHBondContact O-N 2.88Å; M1557-Q1559 VanDerWaalsContact C-N 3.34Å; M1557-Q1559 PolarHBondContact O-N 3.1Å; Q1559-F1561 VanDerWaalsContact C-N 3.25Å; Q1559-F1561 PolarHBondContact O-N 3.18Å; Q1559-I1562 WeakPolarHBondContact O-CA 3.04Å; Q1559-I1562 WeakPolarHBondContact O-CB 3.45Å; Q1559-I1562 PolarHBondContact O-N 2.97Å; Q1559-G1563 WeakPolarHBondContact O-CA 3.5Å; Q1559-G1563 PolarHBondContact O-N 3.12Å; Q1559-G1563 VanDerWaalsContact O-N 3.09Å; Q1559-T1741 PolarHBondContact NE2-OG1 3.28Å; Q1559-T1741 VanDerWaalsContact NE2-OG1 3.1Å; Q1559-V1942 PolarHBondContact OE1-O 2.8Å; Q1559-V1942 VanDerWaalsContact OE1-O 3.08Å; Q1559-E1945 HydrophobicContact CB-CB 3.94Å; Q1559-E1945 HydrophobicContact CB-CG 3.46Å; Q1559-E1945 VanDerWaalsContact CB-CG 3.46Å; Q1559-C1949 PolarHBondContact O-SG 2.93Å |
| 1560 | Q | 43.2 | Very low | 44.7 | Very low | 90 Ų | 90 | 76.6 Ų | 76.6 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72 | -32.4 | -179.4 | -99 | 177.6 | -0.1 | 0 | 0 | 113.6 | N1491 L1492 S1495 S1556 M1557 T1558 N1564 E1945 | N1491-Q1560 PolarHBondContact O-NE2 3Å; L1492-Q1560 HydrophobicContact CD2-CG 4.25Å; S1495-Q1560 PolarHBondContact OG-NE2 3.24Å; S1556-Q1560 WeakPolarHBondContact O-CB 3.37Å; S1556-Q1560 WeakPolarHBondContact O-CG 3.3Å; S1556-Q1560 PolarHBondContact O-N 2.89Å; M1557-Q1560 CarbonylContact O-C 3.51Å; M1557-Q1560 PolarHBondContact O-N 2.81Å; M1557-Q1560 VanDerWaalsContact O-N 3.15Å; T1558-Q1560 VanDerWaalsContact C-N 3.34Å; Q1560-N1564 WeakPolarHBondContact O-CB 3.07Å; Q1560-N1564 VanDerWaalsContact O-CG 3.26Å; Q1560-N1564 PolarHBondContact O-N 3.14Å; Q1560-N1564 PolarHBondContact O-ND2 2.98Å; Q1560-E1945 HydrophobicContact CG-CG 3.85Å; Q1560-E1945 WeakPolarHBondContact CG-OE2 3.31Å |
| 1561 | F | 43.4 | Very low | 45 | Very low | 108.4 Ų | 108.4 | 74.2 Ų | 74.2 | 48% | 0.475 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -76.7 | -35.9 | -178.9 | -88.6 | -86.3 | 0 | 0 | 0 | 113.8 | L1493 M1557 T1558 Q1559 G1563 N1564 Y1565 | L1493-F1561 HydrophobicContact CD1-CB 3.72Å; M1557-F1561 HydrophobicContact CB-CD2 4.45Å; M1557-F1561 WeakPolarHBondContact O-CB 3.23Å; M1557-F1561 VanDerWaalsContact O-CD2 3.26Å; M1557-F1561 WeakPolarHBondContact O-CD2 3.36Å; M1557-F1561 WeakPolarHBondContact O-CG 3.4Å; M1557-F1561 PolarHBondContact O-N 2.92Å; T1558-F1561 PolarHBondContact O-N 3.23Å; Q1559-F1561 VanDerWaalsContact C-N 3.25Å; Q1559-F1561 PolarHBondContact O-N 3.18Å; F1561-G1563 PolarHBondContact O-N 3.31Å; F1561-N1564 PolarHBondContact O-N 3.01Å; F1561-Y1565 HydrophobicContact CB-CD2 4.39Å; F1561-Y1565 HydrophobicContact CB-CE2 4.12Å; F1561-Y1565 HydrophobicContact CD1-CD2 4.26Å; F1561-Y1565 HydrophobicContact CE1-CD2 4.26Å; F1561-Y1565 HydrophobicContact CE1-CE2 4.32Å; F1561-Y1565 WeakPolarHBondContact O-CA 3.29Å; F1561-Y1565 WeakPolarHBondContact O-CB 3.36Å; F1561-Y1565 WeakPolarHBondContact O-CD2 3.48Å; F1561-Y1565 VanDerWaalsContact O-CG 3.27Å; F1561-Y1565 PolarHBondContact O-N 3.06Å |
| 1562 | I | 48.4 | Very low | 45.3 | Very low | 94.4 Ų | 94.4 | 73.5 Ų | 73.5 | 48% | 0.484 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.5 | -32.6 | -176.3 | -65.6 | 168.7 | 0 | 0 | 0 | 111.5 | L1490 L1493 L1494 L1499 T1558 Q1559 N1564 Y1565 S1566 L1738 C1949 | L1490-I1562 HydrophobicContact CD1-CG2 4.17Å; L1493-I1562 HydrophobicContact CB-CD1 4.1Å; L1493-I1562 HydrophobicContact CB-CG1 3.78Å; L1493-I1562 HydrophobicContact CD1-CG1 4.24Å; L1494-I1562 HydrophobicContact CD2-CD1 4.16Å; L1494-I1562 HydrophobicContact CD2-CG1 4.36Å; L1494-I1562 HydrophobicContact CD2-CG2 3.78Å; L1499-I1562 HydrophobicContact CD1-CD1 3.94Å; T1558-I1562 HydrophobicContact CG2-CD1 4.45Å; T1558-I1562 VanDerWaalsContact O-CB 3.3Å; T1558-I1562 WeakPolarHBondContact O-CB 3.29Å; T1558-I1562 WeakPolarHBondContact O-CD1 3.21Å; T1558-I1562 VanDerWaalsContact O-CG1 3.27Å; T1558-I1562 WeakPolarHBondContact O-CG1 3.25Å; T1558-I1562 PolarHBondContact O-N 3.23Å; Q1559-I1562 WeakPolarHBondContact O-CA 3.04Å; Q1559-I1562 WeakPolarHBondContact O-CB 3.45Å; Q1559-I1562 PolarHBondContact O-N 2.97Å; I1562-N1564 PolarHBondContact O-N 3.44Å; I1562-Y1565 PolarHBondContact O-N 3.34Å; I1562-S1566 WeakPolarHBondContact O-CB 3.39Å; I1562-S1566 PolarHBondContact O-N 3.26Å; I1562-S1566 PolarHBondContact O-OG 3.24Å; I1562-L1738 HydrophobicContact CD1-CD2 4.24Å; I1562-C1949 HydrophobicContact CG2-CB 4.14Å |
| 1563 | G | 44 | Very low | 45.4 | Very low | 29.2 Ų | 29.2 | 72.5 Ų | 72.5 | 30% | 0.301 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -50.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1559 F1561 Y1565 S1566 I1567 | Q1559-G1563 WeakPolarHBondContact O-CA 3.5Å; Q1559-G1563 PolarHBondContact O-N 3.12Å; Q1559-G1563 VanDerWaalsContact O-N 3.09Å; F1561-G1563 PolarHBondContact O-N 3.31Å; G1563-Y1565 PolarHBondContact O-N 3.02Å; G1563-S1566 PolarHBondContact O-N 3.28Å; G1563-I1567 VanDerWaalsContact O-CB 3.23Å; G1563-I1567 WeakPolarHBondContact O-CB 3.28Å; G1563-I1567 WeakPolarHBondContact O-CD1 3.43Å; G1563-I1567 VanDerWaalsContact O-CG1 3.29Å; G1563-I1567 WeakPolarHBondContact O-CG1 3.28Å; G1563-I1567 PolarHBondContact O-N 3.13Å |
| 1564 | N | 44.6 | Very low | 45.8 | Very low | 84 Ų | 84 | 69.4 Ų | 69.4 | 45% | 0.449 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.8 | -33.7 | -174.5 | -90.5 | -3.7 | 0 | 0 | 0 | 113.6 | Q1560 F1561 I1562 S1566 I1567 T1568 L1701 R2050 | Q1560-N1564 WeakPolarHBondContact O-CB 3.07Å; Q1560-N1564 VanDerWaalsContact O-CG 3.26Å; Q1560-N1564 PolarHBondContact O-N 3.14Å; Q1560-N1564 PolarHBondContact O-ND2 2.98Å; F1561-N1564 PolarHBondContact O-N 3.01Å; I1562-N1564 PolarHBondContact O-N 3.44Å; N1564-S1566 VanDerWaalsContact C-N 3.34Å; N1564-S1566 PolarHBondContact O-N 3.08Å; N1564-I1567 PolarHBondContact O-N 3.08Å; N1564-T1568 WeakPolarHBondContact O-CB 3.37Å; N1564-T1568 PolarHBondContact O-N 2.75Å; N1564-T1568 PolarHBondContact O-OG1 3.19Å; N1564-T1568 VanDerWaalsContact O-OG1 3.1Å; N1564-L1701 HydrophobicContact CB-CD1 3.67Å; N1564-L1701 WeakPolarHBondContact OD1-CD1 3.39Å; N1564-R2050 PolarHBondContact OD1-NH2 3.29Å |
| 1565 | Y | 47.7 | Very low | 46 | Very low | 133.4 Ų | 133.4 | 67.2 Ų | 67.2 | 52% | 0.523 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.2 | -30.5 | -179.9 | -107.6 | -79.2 | 0 | 0 | 0 | 112.8 | T1481 L1484 L1485 A1489 L1490 L1493 F1561 I1562 G1563 T1568 Y1569 | T1481-Y1565 HydrophobicContact CG2-CD1 4.34Å; T1481-Y1565 HydrophobicContact CG2-CE1 4.03Å; L1484-Y1565 HydrophobicContact CB-CE1 4.32Å; L1484-Y1565 VanDerWaalsContact CB-OH 3.23Å; L1484-Y1565 WeakPolarHBondContact CB-OH 3.18Å; L1484-Y1565 WeakPolarHBondContact CD1-OH 3.39Å; L1485-Y1565 HydrophobicContact CD1-CD1 4.04Å; L1485-Y1565 HydrophobicContact CD2-CD1 3.46Å; L1485-Y1565 VanDerWaalsContact CD2-CD1 3.46Å; L1485-Y1565 HydrophobicContact CD2-CE1 4.18Å; L1485-Y1565 HydrophobicContact CD2-CG 3.79Å; L1485-Y1565 HydrophobicContact CG-CD1 3.57Å; L1485-Y1565 HydrophobicContact CG-CE1 3.89Å; L1485-Y1565 HydrophobicContact CG-CG 4.39Å; A1489-Y1565 HydrophobicContact CB-CE2 4.11Å; L1490-Y1565 HydrophobicContact CB-CD2 4.16Å; L1490-Y1565 HydrophobicContact CB-CG 4.41Å; L1493-Y1565 HydrophobicContact CD1-CD2 3.86Å; L1493-Y1565 HydrophobicContact CD1-CE2 3.57Å; F1561-Y1565 HydrophobicContact CB-CD2 4.39Å; F1561-Y1565 HydrophobicContact CB-CE2 4.12Å; F1561-Y1565 HydrophobicContact CD1-CD2 4.26Å; F1561-Y1565 HydrophobicContact CE1-CD2 4.26Å; F1561-Y1565 HydrophobicContact CE1-CE2 4.32Å; F1561-Y1565 WeakPolarHBondContact O-CA 3.29Å; F1561-Y1565 WeakPolarHBondContact O-CB 3.36Å; F1561-Y1565 WeakPolarHBondContact O-CD2 3.48Å; F1561-Y1565 VanDerWaalsContact O-CG 3.27Å; F1561-Y1565 PolarHBondContact O-N 3.06Å; I1562-Y1565 PolarHBondContact O-N 3.34Å; G1563-Y1565 PolarHBondContact O-N 3.02Å; Y1565-T1568 WeakPolarHBondContact CA-OG1 3.41Å; Y1565-T1568 PolarHBondContact O-N 3.16Å; Y1565-T1568 PolarHBondContact O-OG1 2.94Å; Y1565-T1568 VanDerWaalsContact O-OG1 3.05Å; Y1565-Y1569 HydrophobicContact CE1-CD2 4.46Å; Y1565-Y1569 WeakPolarHBondContact O-CB 3.33Å; Y1565-Y1569 PolarHBondContact O-N 3.11Å |
| 1566 | S | 47.6 | Very low | 46.3 | Very low | 44 Ų | 44 | 68 Ų | 68 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73 | -36.1 | -179 | -72.5 | 0 | 0 | 0 | 0 | 113.1 | I1562 G1563 N1564 T1568 Y1569 A1570 | I1562-S1566 WeakPolarHBondContact O-CB 3.39Å; I1562-S1566 PolarHBondContact O-N 3.26Å; I1562-S1566 PolarHBondContact O-OG 3.24Å; G1563-S1566 PolarHBondContact O-N 3.28Å; N1564-S1566 VanDerWaalsContact C-N 3.34Å; N1564-S1566 PolarHBondContact O-N 3.08Å; S1566-T1568 VanDerWaalsContact C-N 3.29Å; S1566-T1568 PolarHBondContact O-N 3.25Å; S1566-Y1569 PolarHBondContact O-N 3.47Å; S1566-A1570 VanDerWaalsContact O-CB 3.28Å; S1566-A1570 WeakPolarHBondContact O-CB 3.33Å; S1566-A1570 PolarHBondContact O-N 3.15Å |
| 1567 | I | 47.9 | Very low | 46.4 | Very low | 71.4 Ų | 71.4 | 69.4 Ų | 69.4 | 37% | 0.366 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 179.9 | -67.3 | 166.8 | 0 | 0 | 0 | 111.1 | G1563 N1564 Y1569 N1571 L1680 L1701 L1702 A1705 W1952 Y2051 | G1563-I1567 VanDerWaalsContact O-CB 3.23Å; G1563-I1567 WeakPolarHBondContact O-CB 3.28Å; G1563-I1567 WeakPolarHBondContact O-CD1 3.43Å; G1563-I1567 VanDerWaalsContact O-CG1 3.29Å; G1563-I1567 WeakPolarHBondContact O-CG1 3.28Å; G1563-I1567 PolarHBondContact O-N 3.13Å; N1564-I1567 PolarHBondContact O-N 3.08Å; I1567-Y1569 VanDerWaalsContact C-N 3.31Å; I1567-Y1569 PolarHBondContact O-N 2.93Å; I1567-N1571 WeakPolarHBondContact CG2-ND2 3.47Å; I1567-N1571 VanDerWaalsContact O-CB 3.27Å; I1567-N1571 WeakPolarHBondContact O-CB 3.25Å; I1567-N1571 VanDerWaalsContact O-CG 3.26Å; I1567-N1571 PolarHBondContact O-N 3.22Å; I1567-N1571 PolarHBondContact O-ND2 3.01Å; I1567-N1571 PolarHBondContact O-OD1 3.23Å; I1567-L1680 HydrophobicContact CG2-CD2 4.37Å; I1567-L1701 HydrophobicContact CD1-CD2 3.73Å; I1567-L1701 HydrophobicContact CD1-CG 4Å; I1567-L1702 HydrophobicContact CG2-CD1 3.84Å; I1567-A1705 HydrophobicContact CB-CB 4.2Å; I1567-A1705 HydrophobicContact CG2-CB 3.66Å; I1567-W1952 HydrophobicContact CD1-CZ2 4.43Å; I1567-W1952 HydrophobicContact CG1-CD2 3.89Å; I1567-W1952 VanDerWaalsContact CG1-CE2 3.49Å; I1567-W1952 HydrophobicContact CG1-CE3 4.37Å; I1567-W1952 HydrophobicContact CG1-CG 4.4Å; I1567-W1952 HydrophobicContact CG1-CH2 4.23Å; I1567-W1952 HydrophobicContact CG1-CZ2 3.7Å; I1567-Y2051 HydrophobicContact CG2-CD2 3.84Å; I1567-Y2051 HydrophobicContact CG2-CE2 4.1Å; I1567-Y2051 HydrophobicContact CG2-CG 4.26Å |
| 1568 | T | 47.9 | Very low | 46.6 | Very low | 51.6 Ų | 51.6 | 69.1 Ų | 69.1 | 32% | 0.317 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 178.4 | -15.8 | 0 | 0 | 0 | 0 | 111.8 | L1485 N1564 Y1565 S1566 A1570 N1571 T1572 Y1699 A1705 V1708 W1726 | L1485-T1568 HydrophobicContact CD1-CG2 3.52Å; N1564-T1568 WeakPolarHBondContact O-CB 3.37Å; N1564-T1568 PolarHBondContact O-N 2.75Å; N1564-T1568 PolarHBondContact O-OG1 3.19Å; N1564-T1568 VanDerWaalsContact O-OG1 3.1Å; Y1565-T1568 WeakPolarHBondContact CA-OG1 3.41Å; Y1565-T1568 PolarHBondContact O-N 3.16Å; Y1565-T1568 PolarHBondContact O-OG1 2.94Å; Y1565-T1568 VanDerWaalsContact O-OG1 3.05Å; S1566-T1568 VanDerWaalsContact C-N 3.29Å; S1566-T1568 PolarHBondContact O-N 3.25Å; T1568-A1570 VanDerWaalsContact C-N 3.33Å; T1568-A1570 PolarHBondContact O-N 3.25Å; T1568-N1571 PolarHBondContact O-N 3.39Å; T1568-T1572 WeakPolarHBondContact O-CB 3.42Å; T1568-T1572 PolarHBondContact O-N 3.01Å; T1568-T1572 PolarHBondContact O-OG1 3.01Å; T1568-Y1699 WeakPolarHBondContact CG2-OH 3.36Å; T1568-A1705 WeakPolarHBondContact OG1-CA 3.47Å; T1568-A1705 WeakPolarHBondContact OG1-CB 3.44Å; T1568-V1708 HydrophobicContact CG2-CB 3.72Å; T1568-V1708 HydrophobicContact CG2-CG1 3.53Å; T1568-W1726 HydrophobicContact CG2-CZ3 4.42Å |
| 1569 | Y | 49 | Very low | 46.5 | Very low | 106 Ų | 106 | 72.2 Ų | 72.2 | 42% | 0.416 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | -179.3 | -151.5 | -96.7 | 0 | 0 | 0 | 111.8 | Y1565 S1566 I1567 N1571 T1572 L1573 V1722 W1726 L1727 L1956 | Y1565-Y1569 HydrophobicContact CE1-CD2 4.46Å; Y1565-Y1569 WeakPolarHBondContact O-CB 3.33Å; Y1565-Y1569 PolarHBondContact O-N 3.11Å; S1566-Y1569 PolarHBondContact O-N 3.47Å; I1567-Y1569 VanDerWaalsContact C-N 3.31Å; I1567-Y1569 PolarHBondContact O-N 2.93Å; Y1569-N1571 VanDerWaalsContact C-N 3.31Å; Y1569-N1571 PolarHBondContact O-N 3.08Å; Y1569-N1571 VanDerWaalsContact O-N 3.09Å; Y1569-T1572 VanDerWaalsContact C-OG1 3.27Å; Y1569-T1572 VanDerWaalsContact CA-OG1 3.27Å; Y1569-T1572 WeakPolarHBondContact CA-OG1 3.09Å; Y1569-T1572 WeakPolarHBondContact O-CB 3.45Å; Y1569-T1572 PolarHBondContact O-N 3.2Å; Y1569-T1572 VanDerWaalsContact O-N 3.15Å; Y1569-T1572 PolarHBondContact O-OG1 3.09Å; Y1569-L1573 HydrophobicContact CD1-CD1 4.15Å; Y1569-L1573 HydrophobicContact CD1-CG 4.32Å; Y1569-L1573 HydrophobicContact CE1-CD1 3.65Å; Y1569-L1573 HydrophobicContact CE1-CG 4.08Å; Y1569-L1573 WeakPolarHBondContact O-CB 3.33Å; Y1569-L1573 WeakPolarHBondContact O-CG 2.81Å; Y1569-L1573 PolarHBondContact O-N 3.15Å; Y1569-V1722 HydrophobicContact CD2-CG1 3.75Å; Y1569-V1722 HydrophobicContact CE2-CG1 3.77Å; Y1569-V1722 WeakPolarHBondContact CE2-O 3.25Å; Y1569-W1726 HydrophobicContact CD2-CB 4.06Å; Y1569-W1726 AromaticContact CD2-CE3 3.96Å; Y1569-W1726 HydrophobicContact CD2-CE3 3.96Å; Y1569-W1726 HydrophobicContact CE2-CB 4.33Å; Y1569-L1727 HydrophobicContact CD1-CD2 4.22Å; Y1569-L1727 HydrophobicContact CE1-CB 4.48Å; Y1569-L1727 HydrophobicContact CE1-CD2 3.84Å; Y1569-L1727 HydrophobicContact CE2-CB 4.11Å; Y1569-L1956 HydrophobicContact CD1-CD1 3.75Å; Y1569-L1956 HydrophobicContact CD1-CD2 3.7Å; Y1569-L1956 HydrophobicContact CD1-CG 4.25Å; Y1569-L1956 HydrophobicContact CE1-CD1 4.35Å; Y1569-L1956 HydrophobicContact CE1-CD2 3.97Å |
| 1570 | A | 48.4 | Very low | 46.4 | Very low | 22 Ų | 22 | 71 Ų | 71 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1566 T1568 T1572 L1573 V1574 I1676 L1680 W1952 L1956 | S1566-A1570 VanDerWaalsContact O-CB 3.28Å; S1566-A1570 WeakPolarHBondContact O-CB 3.33Å; S1566-A1570 PolarHBondContact O-N 3.15Å; T1568-A1570 VanDerWaalsContact C-N 3.33Å; T1568-A1570 PolarHBondContact O-N 3.25Å; A1570-T1572 VanDerWaalsContact C-N 3.31Å; A1570-T1572 PolarHBondContact O-N 3.14Å; A1570-L1573 WeakPolarHBondContact O-CB 3.22Å; A1570-L1573 PolarHBondContact O-N 2.93Å; A1570-L1573 VanDerWaalsContact O-N 3.07Å; A1570-V1574 VanDerWaalsContact O-CB 3.29Å; A1570-V1574 WeakPolarHBondContact O-CB 3.36Å; A1570-V1574 VanDerWaalsContact O-CG2 3.32Å; A1570-V1574 WeakPolarHBondContact O-CG2 3.28Å; A1570-V1574 PolarHBondContact O-N 3.02Å; A1570-V1574 VanDerWaalsContact O-N 3.11Å; A1570-I1676 HydrophobicContact CB-CG2 3.7Å; A1570-L1680 HydrophobicContact CB-CD1 4.34Å; A1570-L1680 HydrophobicContact CB-CD2 4.46Å; A1570-W1952 HydrophobicContact CB-CE3 4.24Å; A1570-W1952 HydrophobicContact CB-CZ3 3.76Å; A1570-L1956 HydrophobicContact CB-CD2 4.21Å |
| 1571 | N | 47.5 | Very low | 46.1 | Very low | 34 Ų | 34 | 70.5 Ų | 70.5 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.5 | -35.6 | 177.6 | -74.5 | -27.4 | 0 | 0 | 0 | 111.9 | R1486 I1567 T1568 Y1569 L1573 V1574 L1575 L1598 L1680 A1709 Y2051 | R1486-N1571 VanDerWaalsContact CZ-OD1 3.29Å; R1486-N1571 PolarHBondContact NH1-OD1 2.97Å; R1486-N1571 VanDerWaalsContact NH2-CG 3.26Å; R1486-N1571 PolarHBondContact NH2-ND2 3.44Å; R1486-N1571 PolarHBondContact NH2-OD1 2.88Å; I1567-N1571 WeakPolarHBondContact CG2-ND2 3.47Å; I1567-N1571 VanDerWaalsContact O-CB 3.27Å; I1567-N1571 WeakPolarHBondContact O-CB 3.25Å; I1567-N1571 VanDerWaalsContact O-CG 3.26Å; I1567-N1571 PolarHBondContact O-N 3.22Å; I1567-N1571 PolarHBondContact O-ND2 3.01Å; I1567-N1571 PolarHBondContact O-OD1 3.23Å; T1568-N1571 PolarHBondContact O-N 3.39Å; Y1569-N1571 VanDerWaalsContact C-N 3.31Å; Y1569-N1571 PolarHBondContact O-N 3.08Å; Y1569-N1571 VanDerWaalsContact O-N 3.09Å; N1571-L1573 VanDerWaalsContact C-N 3.29Å; N1571-L1573 PolarHBondContact O-N 2.98Å; N1571-V1574 PolarHBondContact O-N 2.97Å; N1571-L1575 WeakPolarHBondContact O-CB 3.32Å; N1571-L1575 WeakPolarHBondContact O-CD1 3.32Å; N1571-L1575 VanDerWaalsContact O-CG 3.26Å; N1571-L1575 WeakPolarHBondContact O-CG 3.32Å; N1571-L1575 PolarHBondContact O-N 3.11Å; N1571-L1598 HydrophobicContact CB-CD2 3.69Å; N1571-L1598 VanDerWaalsContact CG-CD2 3.43Å; N1571-L1598 WeakPolarHBondContact OD1-CD2 3.45Å; N1571-L1680 WeakPolarHBondContact ND2-CD2 3.46Å; N1571-A1709 HydrophobicContact CB-CB 3.73Å; N1571-Y2051 HydrophobicContact CB-CE1 4.32Å; N1571-Y2051 WeakPolarHBondContact CB-OH 3.5Å; N1571-Y2051 WeakPolarHBondContact ND2-CE1 3.32Å; N1571-Y2051 PolarHBondContact ND2-OH 3.46Å |
| 1572 | T | 49.1 | Very low | 45.9 | Very low | 51.6 Ų | 51.6 | 69 Ų | 69 | 32% | 0.317 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 177.5 | -30.2 | 0 | 0 | 0 | 0 | 111.5 | T1568 Y1569 A1570 V1574 L1575 Y1576 S1604 A1709 T1712 V1722 W1726 | T1568-T1572 WeakPolarHBondContact O-CB 3.42Å; T1568-T1572 PolarHBondContact O-N 3.01Å; T1568-T1572 PolarHBondContact O-OG1 3.01Å; Y1569-T1572 VanDerWaalsContact C-OG1 3.27Å; Y1569-T1572 VanDerWaalsContact CA-OG1 3.27Å; Y1569-T1572 WeakPolarHBondContact CA-OG1 3.09Å; Y1569-T1572 WeakPolarHBondContact O-CB 3.45Å; Y1569-T1572 PolarHBondContact O-N 3.2Å; Y1569-T1572 VanDerWaalsContact O-N 3.15Å; Y1569-T1572 PolarHBondContact O-OG1 3.09Å; A1570-T1572 VanDerWaalsContact C-N 3.31Å; A1570-T1572 PolarHBondContact O-N 3.14Å; T1572-V1574 VanDerWaalsContact C-N 3.34Å; T1572-V1574 PolarHBondContact O-N 3.08Å; T1572-L1575 PolarHBondContact O-N 3.08Å; T1572-Y1576 HydrophobicContact CG2-CD2 3.87Å; T1572-Y1576 HydrophobicContact CG2-CE2 3.85Å; T1572-Y1576 VanDerWaalsContact O-CB 3.27Å; T1572-Y1576 WeakPolarHBondContact O-CB 3.19Å; T1572-Y1576 VanDerWaalsContact O-CD2 3.23Å; T1572-Y1576 WeakPolarHBondContact O-CD2 3.44Å; T1572-Y1576 PolarHBondContact O-N 3.23Å; T1572-Y1576 VanDerWaalsContact O-N 3.14Å; T1572-S1604 WeakPolarHBondContact CG2-OG 3.34Å; T1572-A1709 WeakPolarHBondContact OG1-CA 3.43Å; T1572-A1709 VanDerWaalsContact OG1-CB 3.27Å; T1572-A1709 WeakPolarHBondContact OG1-CB 3.48Å; T1572-T1712 HydrophobicContact CG2-CG2 3.97Å; T1572-V1722 HydrophobicContact CG2-CG1 3.91Å; T1572-V1722 HydrophobicContact CG2-CG2 3.91Å; T1572-W1726 HydrophobicContact CG2-CH2 4.16Å; T1572-W1726 HydrophobicContact CG2-CZ3 4.19Å |
| 1573 | L | 48.1 | Very low | 45.6 | Very low | 54.6 Ų | 54.6 | 70.7 Ų | 70.7 | 29% | 0.286 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.7 | -32.6 | -179.7 | -142.8 | 133.8 | 0 | 0 | 0 | 113.4 | H1406 Y1569 A1570 N1571 L1575 Y1576 K1577 A1669 I1676 L1719 L1956 | H1406-L1573 WeakPolarHBondContact CE1-CD1 3.48Å; H1406-L1573 WeakPolarHBondContact ND1-CD1 3.42Å; Y1569-L1573 HydrophobicContact CD1-CD1 4.15Å; Y1569-L1573 HydrophobicContact CD1-CG 4.32Å; Y1569-L1573 HydrophobicContact CE1-CD1 3.65Å; Y1569-L1573 HydrophobicContact CE1-CG 4.08Å; Y1569-L1573 WeakPolarHBondContact O-CB 3.33Å; Y1569-L1573 WeakPolarHBondContact O-CG 2.81Å; Y1569-L1573 PolarHBondContact O-N 3.15Å; A1570-L1573 WeakPolarHBondContact O-CB 3.22Å; A1570-L1573 PolarHBondContact O-N 2.93Å; A1570-L1573 VanDerWaalsContact O-N 3.07Å; N1571-L1573 VanDerWaalsContact C-N 3.29Å; N1571-L1573 PolarHBondContact O-N 2.98Å; L1573-L1575 VanDerWaalsContact C-N 3.34Å; L1573-L1575 PolarHBondContact O-N 3.16Å; L1573-Y1576 PolarHBondContact O-N 3.14Å; L1573-Y1576 VanDerWaalsContact O-N 3.13Å; L1573-K1577 HydrophobicContact CD2-CD 4.16Å; L1573-K1577 WeakPolarHBondContact O-CB 3.45Å; L1573-K1577 WeakPolarHBondContact O-CD 3.48Å; L1573-K1577 VanDerWaalsContact O-CG 3.28Å; L1573-K1577 WeakPolarHBondContact O-CG 3.35Å; L1573-K1577 PolarHBondContact O-N 3.29Å; L1573-A1669 HydrophobicContact CD1-CB 4.43Å; L1573-I1676 HydrophobicContact CD1-CD1 4.28Å; L1573-L1719 HydrophobicContact CD2-CD1 3.87Å; L1573-L1956 HydrophobicContact CD1-CD2 4.48Å |
| 1574 | V | 48.9 | Very low | 45.3 | Very low | 39.8 Ų | 39.8 | 77.2 Ų | 77.2 | 24% | 0.241 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 174.3 | 166.4 | 0 | 0 | 0 | 0 | 111 | A1570 N1571 T1572 Y1576 K1577 L1578 F1589 L1598 I1676 L1680 | A1570-V1574 VanDerWaalsContact O-CB 3.29Å; A1570-V1574 WeakPolarHBondContact O-CB 3.36Å; A1570-V1574 VanDerWaalsContact O-CG2 3.32Å; A1570-V1574 WeakPolarHBondContact O-CG2 3.28Å; A1570-V1574 PolarHBondContact O-N 3.02Å; A1570-V1574 VanDerWaalsContact O-N 3.11Å; N1571-V1574 PolarHBondContact O-N 2.97Å; T1572-V1574 VanDerWaalsContact C-N 3.34Å; T1572-V1574 PolarHBondContact O-N 3.08Å; V1574-Y1576 VanDerWaalsContact C-N 3.3Å; V1574-Y1576 PolarHBondContact O-N 3.43Å; V1574-K1577 PolarHBondContact O-N 3.01Å; V1574-L1578 HydrophobicContact CG1-CD1 3.89Å; V1574-L1578 HydrophobicContact CG1-CD2 4.46Å; V1574-L1578 HydrophobicContact CG1-CG 3.96Å; V1574-L1578 WeakPolarHBondContact O-CB 3.28Å; V1574-L1578 VanDerWaalsContact O-CG 3.29Å; V1574-L1578 WeakPolarHBondContact O-CG 3.48Å; V1574-L1578 PolarHBondContact O-N 2.97Å; V1574-F1589 HydrophobicContact CG1-CD2 4.44Å; V1574-F1589 HydrophobicContact CG1-CE1 3.94Å; V1574-F1589 HydrophobicContact CG1-CE2 3.96Å; V1574-F1589 HydrophobicContact CG1-CZ 4.15Å; V1574-L1598 HydrophobicContact CG1-CD2 4.45Å; V1574-I1676 HydrophobicContact CG2-CB 4.36Å; V1574-I1676 HydrophobicContact CG2-CG2 3.7Å; V1574-L1680 HydrophobicContact CG2-CD1 3.98Å |
| 1575 | L | 47.3 | Very low | 45 | Very low | 30.2 Ų | 30.2 | 76.8 Ų | 76.8 | 16% | 0.158 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.3 | -40.4 | 179.7 | -70.9 | 152.4 | 0 | 0 | 0 | 112.2 | N1571 T1572 L1573 K1577 L1578 D1579 Y1595 L1598 L1601 A1602 Y1684 L1706 A1709 Q1710 I1713 T2055 F2059 | N1571-L1575 WeakPolarHBondContact O-CB 3.32Å; N1571-L1575 WeakPolarHBondContact O-CD1 3.32Å; N1571-L1575 VanDerWaalsContact O-CG 3.26Å; N1571-L1575 WeakPolarHBondContact O-CG 3.32Å; N1571-L1575 PolarHBondContact O-N 3.11Å; T1572-L1575 PolarHBondContact O-N 3.08Å; L1573-L1575 VanDerWaalsContact C-N 3.34Å; L1573-L1575 PolarHBondContact O-N 3.16Å; L1575-K1577 VanDerWaalsContact C-N 3.26Å; L1575-K1577 PolarHBondContact O-N 3.28Å; L1575-K1577 VanDerWaalsContact O-N 3.13Å; L1575-L1578 PolarHBondContact O-N 3.18Å; L1575-L1578 VanDerWaalsContact O-N 3.11Å; L1575-D1579 WeakPolarHBondContact O-CB 3.34Å; L1575-D1579 PolarHBondContact O-N 3.41Å; L1575-Y1595 HydrophobicContact CD2-CD2 3.57Å; L1575-Y1595 HydrophobicContact CD2-CE2 3.4Å; L1575-Y1595 VanDerWaalsContact CD2-CE2 3.4Å; L1575-L1598 HydrophobicContact CB-CD2 4.1Å; L1575-L1598 HydrophobicContact CB-CG 4.48Å; L1575-L1598 HydrophobicContact CD1-CB 4.34Å; L1575-L1598 HydrophobicContact CD2-CB 4.17Å; L1575-L1598 HydrophobicContact CD2-CD1 4.37Å; L1575-L1598 HydrophobicContact CD2-CD2 3.87Å; L1575-L1598 HydrophobicContact CD2-CG 3.8Å; L1575-L1598 WeakPolarHBondContact CD2-O 3.33Å; L1575-L1598 HydrophobicContact CG-CB 4.35Å; L1575-L1598 HydrophobicContact CG-CD2 4.04Å; L1575-L1598 HydrophobicContact CG-CG 4.17Å; L1575-L1601 HydrophobicContact CD1-CB 3.57Å; L1575-L1601 HydrophobicContact CD2-CB 3.6Å; L1575-L1601 HydrophobicContact CD2-CD1 4.39Å; L1575-L1601 HydrophobicContact CG-CB 4.24Å; L1575-A1602 HydrophobicContact CB-CB 3.41Å; L1575-A1602 VanDerWaalsContact CB-CB 3.41Å; L1575-A1602 HydrophobicContact CD2-CB 3.77Å; L1575-A1602 HydrophobicContact CG-CB 4.12Å; L1575-Y1684 HydrophobicContact CD1-CD2 4.35Å; L1575-Y1684 HydrophobicContact CD1-CE2 4.26Å; L1575-L1706 HydrophobicContact CD1-CD1 4.39Å; L1575-A1709 HydrophobicContact CD1-CB 3.87Å; L1575-Q1710 HydrophobicContact CD1-CG 4.2Å; L1575-I1713 HydrophobicContact CB-CD1 3.38Å; L1575-I1713 HydrophobicContact CD1-CD1 3.89Å; L1575-I1713 HydrophobicContact CG-CD1 4.14Å; L1575-T2055 HydrophobicContact CD1-CG2 4.38Å; L1575-F2059 HydrophobicContact CB-CE1 4.06Å; L1575-F2059 HydrophobicContact CB-CZ 3.88Å; L1575-F2059 HydrophobicContact CD1-CE1 4.14Å; L1575-F2059 HydrophobicContact CD1-CE2 3.82Å; L1575-F2059 HydrophobicContact CD1-CZ 3.51Å; L1575-F2059 HydrophobicContact CD2-CE1 4.03Å; L1575-F2059 HydrophobicContact CD2-CZ 4.25Å; L1575-F2059 HydrophobicContact CG-CE1 4.28Å; L1575-F2059 HydrophobicContact CG-CZ 4.06Å |
| 1576 | Y | 47.9 | Very low | 44.8 | Very low | 124.8 Ų | 124.8 | 72.6 Ų | 72.6 | 49% | 0.489 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -25.2 | 176.3 | -131.6 | -92.1 | 0 | 0 | 0 | 113.4 | T1572 L1573 V1574 S1580 V1605 K1606 T1712 I1713 I1717 L1719 V1722 | T1572-Y1576 HydrophobicContact CG2-CD2 3.87Å; T1572-Y1576 HydrophobicContact CG2-CE2 3.85Å; T1572-Y1576 VanDerWaalsContact O-CB 3.27Å; T1572-Y1576 WeakPolarHBondContact O-CB 3.19Å; T1572-Y1576 VanDerWaalsContact O-CD2 3.23Å; T1572-Y1576 WeakPolarHBondContact O-CD2 3.44Å; T1572-Y1576 PolarHBondContact O-N 3.23Å; T1572-Y1576 VanDerWaalsContact O-N 3.14Å; L1573-Y1576 PolarHBondContact O-N 3.14Å; L1573-Y1576 VanDerWaalsContact O-N 3.13Å; V1574-Y1576 VanDerWaalsContact C-N 3.3Å; V1574-Y1576 PolarHBondContact O-N 3.43Å; Y1576-S1580 PolarHBondContact O-N 3.18Å; Y1576-S1580 PolarHBondContact O-OG 3.15Å; Y1576-V1605 HydrophobicContact CE2-CG2 4.5Å; Y1576-V1605 VanDerWaalsContact CE2-N 3.27Å; Y1576-V1605 VanDerWaalsContact OH-CA 3.31Å; Y1576-V1605 WeakPolarHBondContact OH-CA 3.13Å; Y1576-K1606 HydrophobicContact CE1-CD 4.24Å; Y1576-K1606 HydrophobicContact CE1-CG 3.96Å; Y1576-K1606 WeakPolarHBondContact OH-CB 3.13Å; Y1576-K1606 WeakPolarHBondContact OH-CD 3.49Å; Y1576-K1606 WeakPolarHBondContact OH-CG 3.21Å; Y1576-K1606 PolarHBondContact OH-N 3.17Å; Y1576-K1606 VanDerWaalsContact OH-N 3.11Å; Y1576-T1712 HydrophobicContact CE2-CG2 4.47Å; Y1576-I1713 HydrophobicContact CE1-CG1 4.14Å; Y1576-I1713 HydrophobicContact CE2-CG1 4.02Å; Y1576-I1717 PolarHBondContact OH-O 3.42Å; Y1576-L1719 HydrophobicContact CD1-CB 4.32Å; Y1576-L1719 HydrophobicContact CD2-CD1 4.02Å; Y1576-L1719 HydrophobicContact CG-CB 4.3Å; Y1576-L1719 HydrophobicContact CG-CD1 4.11Å; Y1576-V1722 HydrophobicContact CE2-CG2 4.14Å |
| 1577 | K | 45 | Very low | 44.6 | Very low | 77.8 Ų | 77.8 | 75.2 Ų | 75.2 | 34% | 0.338 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -85.9 | -18.2 | 177 | -93.6 | -173.8 | 172.1 | -170.4 | 0 | 114.2 | L1573 V1574 L1575 D1579 S1580 T1581 M1585 E1670 I1673 | L1573-K1577 HydrophobicContact CD2-CD 4.16Å; L1573-K1577 WeakPolarHBondContact O-CB 3.45Å; L1573-K1577 WeakPolarHBondContact O-CD 3.48Å; L1573-K1577 VanDerWaalsContact O-CG 3.28Å; L1573-K1577 WeakPolarHBondContact O-CG 3.35Å; L1573-K1577 PolarHBondContact O-N 3.29Å; V1574-K1577 PolarHBondContact O-N 3.01Å; L1575-K1577 VanDerWaalsContact C-N 3.26Å; L1575-K1577 PolarHBondContact O-N 3.28Å; L1575-K1577 VanDerWaalsContact O-N 3.13Å; K1577-D1579 VanDerWaalsContact C-N 3.31Å; K1577-D1579 PolarHBondContact O-N 3.24Å; K1577-S1580 WeakPolarHBondContact O-CB 3.13Å; K1577-S1580 PolarHBondContact O-N 2.9Å; K1577-S1580 PolarHBondContact O-OG 3.31Å; K1577-T1581 PolarHBondContact O-N 3.27Å; K1577-T1581 PolarHBondContact O-OG1 3.38Å; K1577-M1585 HydrophobicContact CB-CE 4.17Å; K1577-M1585 HydrophobicContact CG-CE 4.36Å; K1577-E1670 WeakPolarHBondContact CE-OE1 3.45Å; K1577-E1670 IonicContact NZ-OE1 2.65Å; K1577-E1670 PolarHBondContact NZ-OE1 2.95Å; K1577-E1670 IonicContact NZ-OE2 3.56Å; K1577-E1670 PolarHBondContact NZ-OE2 3.41Å; K1577-I1673 HydrophobicContact CB-CD1 4.45Å; K1577-I1673 HydrophobicContact CD-CD1 3.31Å; K1577-I1673 HydrophobicContact CD-CG1 3.82Å |
| 1578 | L | 43.6 | Very low | 44.5 | Very low | 57.2 Ų | 57.2 | 74.5 Ų | 74.5 | 30% | 0.299 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -81.7 | -25.1 | -179.6 | -83.2 | 159.5 | 0 | 0 | 0 | 113.3 | V1574 L1575 S1580 T1581 F1589 K1590 F1594 Y1595 L1598 | V1574-L1578 HydrophobicContact CG1-CD1 3.89Å; V1574-L1578 HydrophobicContact CG1-CD2 4.46Å; V1574-L1578 HydrophobicContact CG1-CG 3.96Å; V1574-L1578 WeakPolarHBondContact O-CB 3.28Å; V1574-L1578 VanDerWaalsContact O-CG 3.29Å; V1574-L1578 WeakPolarHBondContact O-CG 3.48Å; V1574-L1578 PolarHBondContact O-N 2.97Å; L1575-L1578 PolarHBondContact O-N 3.18Å; L1575-L1578 VanDerWaalsContact O-N 3.11Å; L1578-S1580 VanDerWaalsContact C-N 3.3Å; L1578-S1580 PolarHBondContact O-N 3.02Å; L1578-T1581 PolarHBondContact O-N 3.21Å; L1578-T1581 PolarHBondContact O-OG1 3.39Å; L1578-F1589 HydrophobicContact CB-CD1 4.5Å; L1578-F1589 HydrophobicContact CB-CE1 4.15Å; L1578-F1589 HydrophobicContact CD1-CD2 4.43Å; L1578-F1589 HydrophobicContact CD1-CE1 3.98Å; L1578-F1589 HydrophobicContact CD1-CE2 4.09Å; L1578-F1589 HydrophobicContact CD1-CZ 3.44Å; L1578-F1589 VanDerWaalsContact CD1-CZ 3.44Å; L1578-F1589 HydrophobicContact CD2-CD1 4.01Å; L1578-F1589 HydrophobicContact CD2-CD2 3.96Å; L1578-F1589 HydrophobicContact CD2-CE1 4.02Å; L1578-F1589 HydrophobicContact CD2-CE2 4.26Å; L1578-F1589 HydrophobicContact CD2-CG 4.26Å; L1578-F1589 HydrophobicContact CD2-CZ 3.59Å; L1578-F1589 HydrophobicContact CG-CD2 4.45Å; L1578-F1589 HydrophobicContact CG-CE1 4.44Å; L1578-K1590 WeakPolarHBondContact O-CE 3.34Å; L1578-K1590 PolarHBondContact O-NZ 3.46Å; L1578-F1594 HydrophobicContact CD1-CE1 4.36Å; L1578-Y1595 HydrophobicContact CD1-CD2 4.01Å; L1578-Y1595 HydrophobicContact CD1-CE2 3.73Å; L1578-Y1595 HydrophobicContact CD2-CD2 4.17Å; L1578-Y1595 HydrophobicContact CD2-CE2 3.75Å; L1578-Y1595 HydrophobicContact CG-CE2 4.2Å; L1578-L1598 HydrophobicContact CB-CD2 3.39Å; L1578-L1598 HydrophobicContact CD1-CD1 4.04Å; L1578-L1598 HydrophobicContact CD1-CD2 3.44Å; L1578-L1598 VanDerWaalsContact CD1-CD2 3.44Å; L1578-L1598 HydrophobicContact CD1-CG 4.38Å; L1578-L1598 HydrophobicContact CG-CD2 3.96Å |
| 1579 | D | 42.7 | Very low | 44.3 | Very low | 119 Ų | 119 | 74.7 Ų | 74.7 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -77.4 | -13.6 | 176 | -102.2 | -12.1 | 0 | 0 | 0 | 113.7 | L1575 K1577 T1581 C1586 K1590 Y1595 | L1575-D1579 WeakPolarHBondContact O-CB 3.34Å; L1575-D1579 PolarHBondContact O-N 3.41Å; K1577-D1579 VanDerWaalsContact C-N 3.31Å; K1577-D1579 PolarHBondContact O-N 3.24Å; D1579-T1581 VanDerWaalsContact C-N 3.3Å; D1579-T1581 PolarHBondContact O-N 3.24Å; D1579-C1586 PolarHBondContact OD1-SG 3.35Å; D1579-K1590 IonicContact OD1-NZ 3.31Å; D1579-Y1595 VanDerWaalsContact OD1-CE2 3.28Å; D1579-Y1595 WeakPolarHBondContact OD1-CE2 3.18Å; D1579-Y1595 PolarHBondContact OD1-OH 3.38Å |
| 1580 | S | 42.2 | Very low | 44.2 | Very low | 67.6 Ų | 67.6 | 74.6 Ų | 74.6 | 47% | 0.473 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 8.6 | -173.5 | 67.3 | 0 | 0 | 0 | 0 | 115.2 | Y1576 K1577 L1578 S1582 M1585 | Y1576-S1580 PolarHBondContact O-N 3.18Å; Y1576-S1580 PolarHBondContact O-OG 3.15Å; K1577-S1580 WeakPolarHBondContact O-CB 3.13Å; K1577-S1580 PolarHBondContact O-N 2.9Å; K1577-S1580 PolarHBondContact O-OG 3.31Å; L1578-S1580 VanDerWaalsContact C-N 3.3Å; L1578-S1580 PolarHBondContact O-N 3.02Å; S1580-S1582 PolarHBondContact O-N 3.36Å; S1580-S1582 VanDerWaalsContact O-N 3.16Å; S1580-M1585 WeakPolarHBondContact OG-CE 3.4Å |
| 1581 | T | 36.9 | Very low | 44.1 | Very low | 79.4 Ų | 79.4 | 80.7 Ų | 80.7 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | trans | -97 | 105.5 | -176.6 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | K1577 L1578 D1579 C1586 K1590 I1673 | K1577-T1581 PolarHBondContact O-N 3.27Å; K1577-T1581 PolarHBondContact O-OG1 3.38Å; L1578-T1581 PolarHBondContact O-N 3.21Å; L1578-T1581 PolarHBondContact O-OG1 3.39Å; D1579-T1581 VanDerWaalsContact C-N 3.3Å; D1579-T1581 PolarHBondContact O-N 3.24Å; T1581-C1586 WeakPolarHBondContact O-CB 3.45Å; T1581-C1586 PolarHBondContact O-N 3.09Å; T1581-C1586 PolarHBondContact OG1-SG 3.03Å; T1581-K1590 PolarHBondContact O-NZ 2.82Å; T1581-I1673 HydrophobicContact CG2-CD1 4.27Å | ||
| 1582 | S | 39.5 | Very low | 44.1 | Very low | 77 Ų | 77 | 80.8 Ų | 80.8 | 54% | 0.538 | 42% | 0.417 | S | S | . | . | trans | -69.8 | 131.3 | 172 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | S1580 Y1584 M1585 C1586 N1587 | S1580-S1582 PolarHBondContact O-N 3.36Å; S1580-S1582 VanDerWaalsContact O-N 3.16Å; S1582-Y1584 CarbonylContact O-C 3.12Å; S1582-Y1584 PolarHBondContact O-N 2.87Å; S1582-Y1584 VanDerWaalsContact O-N 3.11Å; S1582-M1585 CarbonylContact O-C 3.34Å; S1582-M1585 VanDerWaalsContact O-CA 3.31Å; S1582-M1585 WeakPolarHBondContact O-CA 3.15Å; S1582-M1585 WeakPolarHBondContact O-CB 3.49Å; S1582-M1585 PolarHBondContact O-N 3.14Å; S1582-M1585 WeakPolarHBondContact OG-CG 3.36Å; S1582-M1585 PolarHBondContact OG-N 2.85Å; S1582-C1586 PolarHBondContact O-N 2.95Å; S1582-N1587 PolarHBondContact O-ND2 3.49Å | ||
| 1583 | D | 41.3 | Very low | 44 | Very low | 130 Ų | 130 | 82.5 Ų | 82.5 | 70% | 0.695 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -44.3 | -29.1 | -179.6 | -62.6 | -48.3 | 0 | 0 | 0 | 116.2 | M1585 C1586 N1587 | D1583-M1585 VanDerWaalsContact C-N 3.33Å; D1583-M1585 PolarHBondContact O-N 3.16Å; D1583-C1586 HydrophobicContact CB-CB 4.18Å; D1583-C1586 WeakPolarHBondContact O-CA 3.23Å; D1583-C1586 VanDerWaalsContact O-CB 3.32Å; D1583-C1586 WeakPolarHBondContact O-CB 3.32Å; D1583-C1586 PolarHBondContact O-N 3.02Å; D1583-C1586 VanDerWaalsContact O-N 3.13Å; D1583-N1587 VanDerWaalsContact O-CB 3.29Å; D1583-N1587 WeakPolarHBondContact O-CB 3.23Å; D1583-N1587 PolarHBondContact O-N 3.07Å; D1583-N1587 VanDerWaalsContact O-N 3.1Å; D1583-N1587 PolarHBondContact O-ND2 3.07Å; D1583-N1587 VanDerWaalsContact O-ND2 3.1Å |
| 1584 | Y | 38.8 | Very low | 44 | Very low | 165.4 Ų | 165.4 | 82.1 Ų | 82.1 | 65% | 0.649 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -69.3 | -40.2 | 178.2 | -160.7 | -93.5 | 0 | 0 | 0 | 113.5 | S1582 C1586 N1587 V1588 | S1582-Y1584 CarbonylContact O-C 3.12Å; S1582-Y1584 PolarHBondContact O-N 2.87Å; S1582-Y1584 VanDerWaalsContact O-N 3.11Å; Y1584-C1586 VanDerWaalsContact C-N 3.28Å; Y1584-C1586 PolarHBondContact O-N 3.13Å; Y1584-N1587 CarbonylContact O-C 3.55Å; Y1584-N1587 WeakPolarHBondContact O-CA 3.23Å; Y1584-N1587 WeakPolarHBondContact O-CB 3.29Å; Y1584-N1587 PolarHBondContact O-N 3.01Å; Y1584-N1587 VanDerWaalsContact O-N 3.09Å; Y1584-V1588 HydrophobicContact CD1-CG2 4.18Å; Y1584-V1588 HydrophobicContact CE1-CG2 3.97Å; Y1584-V1588 WeakPolarHBondContact O-CG2 3.22Å; Y1584-V1588 PolarHBondContact O-N 3.3Å |
| 1585 | M | 38.1 | Very low | 44 | Very low | 75.4 Ų | 75.4 | 83.2 Ų | 83.2 | 37% | 0.371 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.6 | -27.9 | 177.3 | -79.2 | -70 | -156.7 | 0 | 0 | 113 | K1577 S1580 S1582 D1583 N1587 V1588 F1589 E1674 K1678 I1713 | K1577-M1585 HydrophobicContact CB-CE 4.17Å; K1577-M1585 HydrophobicContact CG-CE 4.36Å; S1580-M1585 WeakPolarHBondContact OG-CE 3.4Å; S1582-M1585 CarbonylContact O-C 3.34Å; S1582-M1585 VanDerWaalsContact O-CA 3.31Å; S1582-M1585 WeakPolarHBondContact O-CA 3.15Å; S1582-M1585 WeakPolarHBondContact O-CB 3.49Å; S1582-M1585 PolarHBondContact O-N 3.14Å; S1582-M1585 WeakPolarHBondContact OG-CG 3.36Å; S1582-M1585 PolarHBondContact OG-N 2.85Å; D1583-M1585 VanDerWaalsContact C-N 3.33Å; D1583-M1585 PolarHBondContact O-N 3.16Å; M1585-N1587 VanDerWaalsContact C-N 3.29Å; M1585-N1587 PolarHBondContact O-N 3.27Å; M1585-N1587 VanDerWaalsContact O-N 3.12Å; M1585-V1588 CarbonylContact O-C 3.21Å; M1585-V1588 PolarHBondContact O-N 3.18Å; M1585-V1588 HydrophobicContact SD-CB 4.2Å; M1585-V1588 HydrophobicContact SD-CG1 4.31Å; M1585-V1588 HydrophobicContact SD-CG2 4.28Å; M1585-F1589 WeakPolarHBondContact O-CA 3.5Å; M1585-F1589 WeakPolarHBondContact O-CB 3.29Å; M1585-F1589 PolarHBondContact O-N 2.85Å; M1585-E1674 HydrophobicContact CB-CG 3.7Å; M1585-E1674 HydrophobicContact CE-CG 4.38Å; M1585-E1674 HydrophobicContact CG-CG 4.14Å; M1585-K1678 HydrophobicContact CE-CG 4.18Å; M1585-I1713 HydrophobicContact CE-CD1 3.87Å; M1585-I1713 HydrophobicContact CE-CG1 4.13Å; M1585-I1713 HydrophobicContact CE-CG2 3.64Å |
| 1586 | C | 42.7 | Very low | 44.2 | Very low | 44.8 Ų | 44.8 | 87.6 Ų | 87.6 | 30% | 0.303 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.6 | -33.9 | 175.2 | -148.6 | 0 | 0 | 0 | 0 | 112.2 | D1579 T1581 S1582 D1583 Y1584 V1588 F1589 K1590 | D1579-C1586 PolarHBondContact OD1-SG 3.35Å; T1581-C1586 WeakPolarHBondContact O-CB 3.45Å; T1581-C1586 PolarHBondContact O-N 3.09Å; T1581-C1586 PolarHBondContact OG1-SG 3.03Å; S1582-C1586 PolarHBondContact O-N 2.95Å; D1583-C1586 HydrophobicContact CB-CB 4.18Å; D1583-C1586 WeakPolarHBondContact O-CA 3.23Å; D1583-C1586 VanDerWaalsContact O-CB 3.32Å; D1583-C1586 WeakPolarHBondContact O-CB 3.32Å; D1583-C1586 PolarHBondContact O-N 3.02Å; D1583-C1586 VanDerWaalsContact O-N 3.13Å; Y1584-C1586 VanDerWaalsContact C-N 3.28Å; Y1584-C1586 PolarHBondContact O-N 3.13Å; C1586-V1588 VanDerWaalsContact C-N 3.31Å; C1586-V1588 PolarHBondContact O-N 3.03Å; C1586-F1589 PolarHBondContact O-N 3.26Å; C1586-K1590 VanDerWaalsContact O-CB 3.23Å; C1586-K1590 WeakPolarHBondContact O-CB 3.19Å; C1586-K1590 WeakPolarHBondContact O-CD 3.32Å; C1586-K1590 WeakPolarHBondContact O-CG 3.38Å; C1586-K1590 PolarHBondContact O-N 3.17Å; C1586-K1590 WeakPolarHBondContact SG-CE 3.35Å; C1586-K1590 PolarHBondContact SG-NZ 3.21Å |
| 1587 | N | 44.6 | Very low | 44.2 | Very low | 99.8 Ų | 99.8 | 86 Ų | 86 | 53% | 0.534 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -78 | -30.3 | 180 | -82.3 | -56.7 | 0 | 0 | 0 | 114.8 | S1582 D1583 Y1584 M1585 F1589 K1590 K1591 | S1582-N1587 PolarHBondContact O-ND2 3.49Å; D1583-N1587 VanDerWaalsContact O-CB 3.29Å; D1583-N1587 WeakPolarHBondContact O-CB 3.23Å; D1583-N1587 PolarHBondContact O-N 3.07Å; D1583-N1587 VanDerWaalsContact O-N 3.1Å; D1583-N1587 PolarHBondContact O-ND2 3.07Å; D1583-N1587 VanDerWaalsContact O-ND2 3.1Å; Y1584-N1587 CarbonylContact O-C 3.55Å; Y1584-N1587 WeakPolarHBondContact O-CA 3.23Å; Y1584-N1587 WeakPolarHBondContact O-CB 3.29Å; Y1584-N1587 PolarHBondContact O-N 3.01Å; Y1584-N1587 VanDerWaalsContact O-N 3.09Å; M1585-N1587 VanDerWaalsContact C-N 3.29Å; M1585-N1587 PolarHBondContact O-N 3.27Å; M1585-N1587 VanDerWaalsContact O-N 3.12Å; N1587-F1589 PolarHBondContact O-N 2.9Å; N1587-K1590 PolarHBondContact O-N 3.12Å; N1587-K1591 WeakPolarHBondContact O-CB 3.41Å; N1587-K1591 WeakPolarHBondContact O-CD 3.36Å; N1587-K1591 VanDerWaalsContact O-CE 3.23Å; N1587-K1591 WeakPolarHBondContact O-CE 3.06Å; N1587-K1591 WeakPolarHBondContact O-CG 3.34Å; N1587-K1591 PolarHBondContact O-N 3.09Å; N1587-K1591 VanDerWaalsContact O-N 3.13Å |
| 1588 | V | 44 | Very low | 44.3 | Very low | 55.6 Ų | 55.6 | 83.6 Ų | 83.6 | 34% | 0.337 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -78.8 | -37.5 | -179.9 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | Y1584 M1585 C1586 K1590 K1591 S1592 I1673 | Y1584-V1588 HydrophobicContact CD1-CG2 4.18Å; Y1584-V1588 HydrophobicContact CE1-CG2 3.97Å; Y1584-V1588 WeakPolarHBondContact O-CG2 3.22Å; Y1584-V1588 PolarHBondContact O-N 3.3Å; M1585-V1588 CarbonylContact O-C 3.21Å; M1585-V1588 PolarHBondContact O-N 3.18Å; M1585-V1588 HydrophobicContact SD-CB 4.2Å; M1585-V1588 HydrophobicContact SD-CG1 4.31Å; M1585-V1588 HydrophobicContact SD-CG2 4.28Å; C1586-V1588 VanDerWaalsContact C-N 3.31Å; C1586-V1588 PolarHBondContact O-N 3.03Å; V1588-K1590 VanDerWaalsContact C-N 3.33Å; V1588-K1590 PolarHBondContact O-N 3Å; V1588-K1591 CarbonylContact O-C 3.22Å; V1588-K1591 WeakPolarHBondContact O-CA 3.02Å; V1588-K1591 WeakPolarHBondContact O-CB 2.92Å; V1588-K1591 PolarHBondContact O-N 3.27Å; V1588-K1591 VanDerWaalsContact O-N 3.11Å; V1588-S1592 PolarHBondContact O-N 3.06Å; V1588-S1592 VanDerWaalsContact O-N 3.12Å; V1588-I1673 HydrophobicContact CG1-CG2 4.38Å |
| 1589 | F | 44.4 | Very low | 44.5 | Very low | 57.6 Ų | 57.6 | 84.3 Ų | 84.3 | 25% | 0.253 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -76.9 | -27.4 | 178.6 | -151.8 | -98.6 | 0 | 0 | 0 | 112.3 | V1574 L1578 M1585 C1586 N1587 K1591 S1592 F1594 Y1595 L1598 C1677 L1681 | V1574-F1589 HydrophobicContact CG1-CD2 4.44Å; V1574-F1589 HydrophobicContact CG1-CE1 3.94Å; V1574-F1589 HydrophobicContact CG1-CE2 3.96Å; V1574-F1589 HydrophobicContact CG1-CZ 4.15Å; L1578-F1589 HydrophobicContact CB-CD1 4.5Å; L1578-F1589 HydrophobicContact CB-CE1 4.15Å; L1578-F1589 HydrophobicContact CD1-CD2 4.43Å; L1578-F1589 HydrophobicContact CD1-CE1 3.98Å; L1578-F1589 HydrophobicContact CD1-CE2 4.09Å; L1578-F1589 HydrophobicContact CD1-CZ 3.44Å; L1578-F1589 VanDerWaalsContact CD1-CZ 3.44Å; L1578-F1589 HydrophobicContact CD2-CD1 4.01Å; L1578-F1589 HydrophobicContact CD2-CD2 3.96Å; L1578-F1589 HydrophobicContact CD2-CE1 4.02Å; L1578-F1589 HydrophobicContact CD2-CE2 4.26Å; L1578-F1589 HydrophobicContact CD2-CG 4.26Å; L1578-F1589 HydrophobicContact CD2-CZ 3.59Å; L1578-F1589 HydrophobicContact CG-CD2 4.45Å; L1578-F1589 HydrophobicContact CG-CE1 4.44Å; M1585-F1589 WeakPolarHBondContact O-CA 3.5Å; M1585-F1589 WeakPolarHBondContact O-CB 3.29Å; M1585-F1589 PolarHBondContact O-N 2.85Å; C1586-F1589 PolarHBondContact O-N 3.26Å; N1587-F1589 PolarHBondContact O-N 2.9Å; F1589-K1591 PolarHBondContact O-N 3.27Å; F1589-K1591 VanDerWaalsContact O-N 3.14Å; F1589-S1592 WeakPolarHBondContact O-CA 3.43Å; F1589-S1592 VanDerWaalsContact O-CB 3.3Å; F1589-S1592 WeakPolarHBondContact O-CB 3.23Å; F1589-S1592 PolarHBondContact O-N 3.08Å; F1589-S1592 PolarHBondContact O-OG 3.32Å; F1589-F1594 AromaticContact CE1-CD1 3.95Å; F1589-F1594 HydrophobicContact CE1-CD1 3.95Å; F1589-F1594 AromaticContact CE2-CD1 3.79Å; F1589-F1594 HydrophobicContact CE2-CD1 3.79Å; F1589-F1594 HydrophobicContact CE2-CE1 4.2Å; F1589-F1594 AromaticContact CZ-CD1 3.71Å; F1589-F1594 HydrophobicContact CZ-CD1 3.71Å; F1589-F1594 AromaticContact CZ-CE1 3.8Å; F1589-F1594 HydrophobicContact CZ-CE1 4.14Å; F1589-F1594 HydrophobicContact CZ-CG 4.44Å; F1589-Y1595 AromaticContact CD1-CD2 3.69Å; F1589-Y1595 HydrophobicContact CD1-CD2 3.69Å; F1589-Y1595 HydrophobicContact CD1-CE2 4.37Å; F1589-Y1595 HydrophobicContact CD1-CG 4.24Å; F1589-Y1595 AromaticContact CE1-CD2 3.66Å; F1589-Y1595 HydrophobicContact CE1-CD2 3.79Å; F1589-Y1595 HydrophobicContact CE1-CE2 4.21Å; F1589-Y1595 HydrophobicContact CE1-CG 4.31Å; F1589-Y1595 HydrophobicContact CZ-CD2 4.31Å; F1589-Y1595 WeakPolarHBondContact O-CB 3.3Å; F1589-L1598 HydrophobicContact CE1-CD2 4.27Å; F1589-L1598 HydrophobicContact CZ-CD1 4.36Å; F1589-C1677 HydrophobicContact CD2-CB 3.7Å; F1589-C1677 HydrophobicContact CE2-CB 3.92Å; F1589-C1677 HydrophobicContact CG-CB 4.18Å; F1589-L1681 HydrophobicContact CE2-CB 4.44Å |
| 1590 | K | 48 | Very low | 44.5 | Very low | 102.8 Ų | 102.8 | 82.4 Ų | 82.4 | 45% | 0.447 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -12.4 | 167.9 | -77.2 | 176.4 | 175.9 | 173.2 | 0 | 113.3 | L1578 D1579 T1581 C1586 N1587 V1588 Y1595 E1670 | L1578-K1590 WeakPolarHBondContact O-CE 3.34Å; L1578-K1590 PolarHBondContact O-NZ 3.46Å; D1579-K1590 IonicContact OD1-NZ 3.31Å; T1581-K1590 PolarHBondContact O-NZ 2.82Å; C1586-K1590 VanDerWaalsContact O-CB 3.23Å; C1586-K1590 WeakPolarHBondContact O-CB 3.19Å; C1586-K1590 WeakPolarHBondContact O-CD 3.32Å; C1586-K1590 WeakPolarHBondContact O-CG 3.38Å; C1586-K1590 PolarHBondContact O-N 3.17Å; C1586-K1590 WeakPolarHBondContact SG-CE 3.35Å; C1586-K1590 PolarHBondContact SG-NZ 3.21Å; N1587-K1590 PolarHBondContact O-N 3.12Å; V1588-K1590 VanDerWaalsContact C-N 3.33Å; V1588-K1590 PolarHBondContact O-N 3Å; K1590-Y1595 VanDerWaalsContact CA-CD1 3.45Å; K1590-Y1595 HydrophobicContact CB-CD1 4.26Å; K1590-Y1595 HydrophobicContact CB-CE1 4.05Å; K1590-Y1595 HydrophobicContact CD-CE1 4.27Å; K1590-Y1595 VanDerWaalsContact CE-OH 3.24Å; K1590-Y1595 WeakPolarHBondContact CE-OH 3.27Å; K1590-Y1595 HydrophobicContact CG-CD1 4.21Å; K1590-Y1595 HydrophobicContact CG-CD2 4.26Å; K1590-Y1595 HydrophobicContact CG-CE1 3.64Å; K1590-Y1595 HydrophobicContact CG-CE2 4.05Å; K1590-Y1595 WeakPolarHBondContact O-CD1 3.28Å; K1590-E1670 IonicContact NZ-OE1 2.61Å; K1590-E1670 PolarHBondContact NZ-OE1 3.44Å; K1590-E1670 IonicContact NZ-OE2 3.59Å |
| 1591 | K | 45.5 | Very low | 44.4 | Very low | 150.6 Ų | 150.6 | 83.4 Ų | 83.4 | 66% | 0.655 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 12 | 172.9 | -65.1 | 170.8 | -173.6 | 176.8 | 0 | 114.6 | N1587 V1588 F1589 | N1587-K1591 WeakPolarHBondContact O-CB 3.41Å; N1587-K1591 WeakPolarHBondContact O-CD 3.36Å; N1587-K1591 VanDerWaalsContact O-CE 3.23Å; N1587-K1591 WeakPolarHBondContact O-CE 3.06Å; N1587-K1591 WeakPolarHBondContact O-CG 3.34Å; N1587-K1591 PolarHBondContact O-N 3.09Å; N1587-K1591 VanDerWaalsContact O-N 3.13Å; V1588-K1591 CarbonylContact O-C 3.22Å; V1588-K1591 WeakPolarHBondContact O-CA 3.02Å; V1588-K1591 WeakPolarHBondContact O-CB 2.92Å; V1588-K1591 PolarHBondContact O-N 3.27Å; V1588-K1591 VanDerWaalsContact O-N 3.11Å; F1589-K1591 PolarHBondContact O-N 3.27Å; F1589-K1591 VanDerWaalsContact O-N 3.14Å |
| 1592 | S | 48.1 | Very low | 44.4 | Very low | 35.4 Ų | 35.4 | 81.6 Ų | 81.6 | 25% | 0.248 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -99.4 | 146.9 | 167.5 | 87.1 | 0 | 0 | 0 | 0 | 112.3 | V1588 F1589 F1594 Y1595 Q1596 | V1588-S1592 PolarHBondContact O-N 3.06Å; V1588-S1592 VanDerWaalsContact O-N 3.12Å; F1589-S1592 WeakPolarHBondContact O-CA 3.43Å; F1589-S1592 VanDerWaalsContact O-CB 3.3Å; F1589-S1592 WeakPolarHBondContact O-CB 3.23Å; F1589-S1592 PolarHBondContact O-N 3.08Å; F1589-S1592 PolarHBondContact O-OG 3.32Å; S1592-F1594 PolarHBondContact O-N 3.27Å; S1592-Y1595 PolarHBondContact O-N 2.77Å; S1592-Y1595 PolarHBondContact OG-N 3.28Å; S1592-Q1596 PolarHBondContact O-N 3.05Å; S1592-Q1596 VanDerWaalsContact O-N 3.11Å |
| 1593 | S | 47.1 | Very low | 44.4 | Very low | 88 Ų | 88 | 82.7 Ų | 82.7 | 62% | 0.615 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -45.6 | -18.9 | 167.7 | 54.2 | 0 | 0 | 0 | 0 | 115 | Q1596 L1597 | S1593-Q1596 PolarHBondContact O-N 2.91Å; S1593-L1597 VanDerWaalsContact O-CB 3.32Å; S1593-L1597 WeakPolarHBondContact O-CB 3.34Å; S1593-L1597 PolarHBondContact O-N 3.24Å |
| 1594 | F | 47.1 | Very low | 44 | Very low | 46.8 Ų | 46.8 | 80.4 Ų | 80.4 | 21% | 0.205 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -78.5 | -35.8 | 175.3 | -165.7 | -104.7 | 0 | 0 | 0 | 113.4 | L1578 F1589 S1592 Q1596 L1597 L1598 L1680 L1681 Y1684 L1702 | L1578-F1594 HydrophobicContact CD1-CE1 4.36Å; F1589-F1594 AromaticContact CE1-CD1 3.95Å; F1589-F1594 HydrophobicContact CE1-CD1 3.95Å; F1589-F1594 AromaticContact CE2-CD1 3.79Å; F1589-F1594 HydrophobicContact CE2-CD1 3.79Å; F1589-F1594 HydrophobicContact CE2-CE1 4.2Å; F1589-F1594 AromaticContact CZ-CD1 3.71Å; F1589-F1594 HydrophobicContact CZ-CD1 3.71Å; F1589-F1594 AromaticContact CZ-CE1 3.8Å; F1589-F1594 HydrophobicContact CZ-CE1 4.14Å; F1589-F1594 HydrophobicContact CZ-CG 4.44Å; S1592-F1594 PolarHBondContact O-N 3.27Å; F1594-Q1596 PolarHBondContact O-N 2.92Å; F1594-L1597 HydrophobicContact CD2-CD2 4.33Å; F1594-L1597 WeakPolarHBondContact O-CB 3.28Å; F1594-L1597 PolarHBondContact O-N 3.17Å; F1594-L1598 HydrophobicContact CD1-CD1 4Å; F1594-L1598 HydrophobicContact CE1-CD1 3.7Å; F1594-L1598 HydrophobicContact CE1-CG 4.38Å; F1594-L1598 HydrophobicContact CE2-CD1 4.41Å; F1594-L1598 HydrophobicContact CG-CD1 4.46Å; F1594-L1598 HydrophobicContact CZ-CD1 3.99Å; F1594-L1598 HydrophobicContact CZ-CG 4.38Å; F1594-L1598 WeakPolarHBondContact O-CB 3.39Å; F1594-L1598 PolarHBondContact O-N 3.13Å; F1594-L1680 HydrophobicContact CD2-CD2 3.94Å; F1594-L1680 HydrophobicContact CE1-CB 3.87Å; F1594-L1680 HydrophobicContact CE2-CD2 3.69Å; F1594-L1680 HydrophobicContact CZ-CB 4.42Å; F1594-L1681 HydrophobicContact CB-CD1 4.09Å; F1594-Y1684 HydrophobicContact CB-CD1 3.73Å; F1594-Y1684 HydrophobicContact CB-CD2 4.34Å; F1594-Y1684 HydrophobicContact CB-CE1 4.06Å; F1594-Y1684 HydrophobicContact CB-CG 3.86Å; F1594-Y1684 HydrophobicContact CD2-CD1 4.29Å; F1594-Y1684 AromaticContact CD2-CD2 3.39Å; F1594-Y1684 HydrophobicContact CD2-CD2 3.39Å; F1594-Y1684 AromaticContact CD2-CE2 3.98Å; F1594-Y1684 HydrophobicContact CD2-CE2 3.98Å; F1594-Y1684 AromaticContact CD2-CG 3.55Å; F1594-Y1684 HydrophobicContact CD2-CG 3.55Å; F1594-Y1684 HydrophobicContact CE2-CD2 4.08Å; F1594-Y1684 HydrophobicContact CE2-CG 4.39Å; F1594-Y1684 HydrophobicContact CG-CD1 4.3Å; F1594-Y1684 HydrophobicContact CG-CD2 4.19Å; F1594-Y1684 AromaticContact CG-CG 3.91Å; F1594-Y1684 HydrophobicContact CG-CG 3.91Å; F1594-L1702 HydrophobicContact CE2-CD1 4.31Å; F1594-L1702 HydrophobicContact CE2-CD2 4.01Å; F1594-L1702 HydrophobicContact CE2-CG 4.23Å; F1594-L1702 HydrophobicContact CZ-CD1 4.16Å |
| 1595 | Y | 49.6 | Very low | 43.8 | Very low | 62.4 Ų | 62.4 | 76.1 Ų | 76.1 | 25% | 0.245 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69 | -37.1 | 176.6 | -165.1 | -100.7 | 0 | 0 | 0 | 112.6 | L1575 L1578 D1579 F1589 K1590 S1592 L1597 L1598 I1599 E1670 I1673 | L1575-Y1595 HydrophobicContact CD2-CD2 3.57Å; L1575-Y1595 HydrophobicContact CD2-CE2 3.4Å; L1575-Y1595 VanDerWaalsContact CD2-CE2 3.4Å; L1578-Y1595 HydrophobicContact CD1-CD2 4.01Å; L1578-Y1595 HydrophobicContact CD1-CE2 3.73Å; L1578-Y1595 HydrophobicContact CD2-CD2 4.17Å; L1578-Y1595 HydrophobicContact CD2-CE2 3.75Å; L1578-Y1595 HydrophobicContact CG-CE2 4.2Å; D1579-Y1595 VanDerWaalsContact OD1-CE2 3.28Å; D1579-Y1595 WeakPolarHBondContact OD1-CE2 3.18Å; D1579-Y1595 PolarHBondContact OD1-OH 3.38Å; F1589-Y1595 AromaticContact CD1-CD2 3.69Å; F1589-Y1595 HydrophobicContact CD1-CD2 3.69Å; F1589-Y1595 HydrophobicContact CD1-CE2 4.37Å; F1589-Y1595 HydrophobicContact CD1-CG 4.24Å; F1589-Y1595 AromaticContact CE1-CD2 3.66Å; F1589-Y1595 HydrophobicContact CE1-CD2 3.79Å; F1589-Y1595 HydrophobicContact CE1-CE2 4.21Å; F1589-Y1595 HydrophobicContact CE1-CG 4.31Å; F1589-Y1595 HydrophobicContact CZ-CD2 4.31Å; F1589-Y1595 WeakPolarHBondContact O-CB 3.3Å; K1590-Y1595 VanDerWaalsContact CA-CD1 3.45Å; K1590-Y1595 HydrophobicContact CB-CD1 4.26Å; K1590-Y1595 HydrophobicContact CB-CE1 4.05Å; K1590-Y1595 HydrophobicContact CD-CE1 4.27Å; K1590-Y1595 VanDerWaalsContact CE-OH 3.24Å; K1590-Y1595 WeakPolarHBondContact CE-OH 3.27Å; K1590-Y1595 HydrophobicContact CG-CD1 4.21Å; K1590-Y1595 HydrophobicContact CG-CD2 4.26Å; K1590-Y1595 HydrophobicContact CG-CE1 3.64Å; K1590-Y1595 HydrophobicContact CG-CE2 4.05Å; K1590-Y1595 WeakPolarHBondContact O-CD1 3.28Å; S1592-Y1595 PolarHBondContact O-N 2.77Å; S1592-Y1595 PolarHBondContact OG-N 3.28Å; Y1595-L1597 VanDerWaalsContact C-N 3.31Å; Y1595-L1597 PolarHBondContact O-N 3.01Å; Y1595-L1598 HydrophobicContact CD2-CD2 4.43Å; Y1595-L1598 VanDerWaalsContact O-CB 3.32Å; Y1595-L1598 WeakPolarHBondContact O-CB 3.18Å; Y1595-L1598 PolarHBondContact O-N 3.18Å; Y1595-I1599 HydrophobicContact CD1-CD1 4.01Å; Y1595-I1599 HydrophobicContact CD1-CG1 4.27Å; Y1595-I1599 HydrophobicContact CD2-CD1 4.47Å; Y1595-I1599 HydrophobicContact CE1-CD1 3.32Å; Y1595-I1599 VanDerWaalsContact CE1-CD1 3.4Å; Y1595-I1599 HydrophobicContact CE1-CG1 4.02Å; Y1595-I1599 HydrophobicContact CE2-CD1 4.02Å; Y1595-I1599 HydrophobicContact CE2-CG1 4.15Å; Y1595-I1599 VanDerWaalsContact CZ-CD1 3.45Å; Y1595-I1599 WeakPolarHBondContact O-CB 3.44Å; Y1595-I1599 WeakPolarHBondContact O-CG1 3.34Å; Y1595-I1599 PolarHBondContact O-N 2.98Å; Y1595-I1599 WeakPolarHBondContact OH-CD1 3.31Å; Y1595-E1670 PolarHBondContact OH-OE1 2.71Å; Y1595-I1673 HydrophobicContact CE2-CG2 4.05Å |
| 1596 | Q | 50.2 | Low | 43.5 | Very low | 121.6 Ų | 121.6 | 79 Ų | 79 | 57% | 0.568 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.2 | -37.3 | 174.4 | -92.4 | -147.8 | -18.9 | 0 | 0 | 112.2 | S1592 S1593 F1594 L1598 I1599 S1600 | S1592-Q1596 PolarHBondContact O-N 3.05Å; S1592-Q1596 VanDerWaalsContact O-N 3.11Å; S1593-Q1596 PolarHBondContact O-N 2.91Å; F1594-Q1596 PolarHBondContact O-N 2.92Å; Q1596-L1598 VanDerWaalsContact C-N 3.3Å; Q1596-L1598 PolarHBondContact O-N 2.87Å; Q1596-I1599 PolarHBondContact O-N 3.4Å; Q1596-S1600 WeakPolarHBondContact O-CB 3.39Å; Q1596-S1600 PolarHBondContact O-N 3.42Å; Q1596-S1600 PolarHBondContact O-OG 3.06Å |
| 1597 | L | 48.3 | Very low | 42.7 | Very low | 92.4 Ų | 92.4 | 82.1 Ų | 82.1 | 48% | 0.484 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71 | -36.7 | 176.8 | -165.7 | 116.2 | 0 | 0 | 0 | 111.9 | S1593 F1594 Y1595 I1599 S1600 L1601 Y1684 L1703 L1706 | S1593-L1597 VanDerWaalsContact O-CB 3.32Å; S1593-L1597 WeakPolarHBondContact O-CB 3.34Å; S1593-L1597 PolarHBondContact O-N 3.24Å; F1594-L1597 HydrophobicContact CD2-CD2 4.33Å; F1594-L1597 WeakPolarHBondContact O-CB 3.28Å; F1594-L1597 PolarHBondContact O-N 3.17Å; Y1595-L1597 VanDerWaalsContact C-N 3.31Å; Y1595-L1597 PolarHBondContact O-N 3.01Å; L1597-I1599 VanDerWaalsContact C-N 3.28Å; L1597-I1599 PolarHBondContact O-N 3.1Å; L1597-S1600 PolarHBondContact O-N 3.33Å; L1597-S1600 PolarHBondContact O-OG 3.21Å; L1597-L1601 HydrophobicContact CD1-CD1 4.01Å; L1597-L1601 HydrophobicContact CD2-CD1 4.46Å; L1597-L1601 HydrophobicContact CG-CD1 4.12Å; L1597-L1601 WeakPolarHBondContact O-CD1 3.41Å; L1597-L1601 WeakPolarHBondContact O-CG 3.26Å; L1597-L1601 PolarHBondContact O-N 3.08Å; L1597-Y1684 HydrophobicContact CD2-CE2 4.05Å; L1597-L1703 HydrophobicContact CD2-CD1 4.49Å; L1597-L1706 HydrophobicContact CD2-CD2 4.24Å; L1597-L1706 HydrophobicContact CG-CD2 4.24Å |
| 1598 | L | 47.5 | Very low | 41.9 | Very low | 26.6 Ų | 26.6 | 81.3 Ų | 81.3 | 14% | 0.139 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 176.5 | -110.9 | 131.6 | 0 | 0 | 0 | 112.3 | N1571 V1574 L1575 L1578 F1589 F1594 Y1595 Q1596 S1600 L1601 A1602 I1676 L1706 Q1710 | N1571-L1598 HydrophobicContact CB-CD2 3.69Å; N1571-L1598 VanDerWaalsContact CG-CD2 3.43Å; N1571-L1598 WeakPolarHBondContact OD1-CD2 3.45Å; V1574-L1598 HydrophobicContact CG1-CD2 4.45Å; L1575-L1598 HydrophobicContact CB-CD2 4.1Å; L1575-L1598 HydrophobicContact CB-CG 4.48Å; L1575-L1598 HydrophobicContact CD1-CB 4.34Å; L1575-L1598 HydrophobicContact CD2-CB 4.17Å; L1575-L1598 HydrophobicContact CD2-CD1 4.37Å; L1575-L1598 HydrophobicContact CD2-CD2 3.87Å; L1575-L1598 HydrophobicContact CD2-CG 3.8Å; L1575-L1598 WeakPolarHBondContact CD2-O 3.33Å; L1575-L1598 HydrophobicContact CG-CB 4.35Å; L1575-L1598 HydrophobicContact CG-CD2 4.04Å; L1575-L1598 HydrophobicContact CG-CG 4.17Å; L1578-L1598 HydrophobicContact CB-CD2 3.39Å; L1578-L1598 HydrophobicContact CD1-CD1 4.04Å; L1578-L1598 HydrophobicContact CD1-CD2 3.44Å; L1578-L1598 VanDerWaalsContact CD1-CD2 3.44Å; L1578-L1598 HydrophobicContact CD1-CG 4.38Å; L1578-L1598 HydrophobicContact CG-CD2 3.96Å; F1589-L1598 HydrophobicContact CE1-CD2 4.27Å; F1589-L1598 HydrophobicContact CZ-CD1 4.36Å; F1594-L1598 HydrophobicContact CD1-CD1 4Å; F1594-L1598 HydrophobicContact CE1-CD1 3.7Å; F1594-L1598 HydrophobicContact CE1-CG 4.38Å; F1594-L1598 HydrophobicContact CE2-CD1 4.41Å; F1594-L1598 HydrophobicContact CG-CD1 4.46Å; F1594-L1598 HydrophobicContact CZ-CD1 3.99Å; F1594-L1598 HydrophobicContact CZ-CG 4.38Å; F1594-L1598 WeakPolarHBondContact O-CB 3.39Å; F1594-L1598 PolarHBondContact O-N 3.13Å; Y1595-L1598 HydrophobicContact CD2-CD2 4.43Å; Y1595-L1598 VanDerWaalsContact O-CB 3.32Å; Y1595-L1598 WeakPolarHBondContact O-CB 3.18Å; Y1595-L1598 PolarHBondContact O-N 3.18Å; Q1596-L1598 VanDerWaalsContact C-N 3.3Å; Q1596-L1598 PolarHBondContact O-N 2.87Å; L1598-S1600 WeakPolarHBondContact O-CA 3.41Å; L1598-S1600 PolarHBondContact O-N 2.77Å; L1598-S1600 PolarHBondContact O-OG 2.71Å; L1598-L1601 PolarHBondContact O-N 3.47Å; L1598-L1601 VanDerWaalsContact O-N 3.08Å; L1598-A1602 VanDerWaalsContact O-CB 3.23Å; L1598-A1602 WeakPolarHBondContact O-CB 3.49Å; L1598-A1602 PolarHBondContact O-N 3.4Å; L1598-I1676 HydrophobicContact CD2-CG2 4.39Å; L1598-L1706 HydrophobicContact CD1-CD1 3.43Å; L1598-L1706 VanDerWaalsContact CD1-CD1 3.43Å; L1598-L1706 HydrophobicContact CD1-CD2 4.4Å; L1598-L1706 HydrophobicContact CG-CD1 3.88Å; L1598-Q1710 PolarHBondContact O-NE2 3.03Å |
| 1599 | I | 47.9 | Very low | 41.2 | Very low | 72 Ų | 72 | 82.9 Ų | 82.9 | 37% | 0.369 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 179.9 | -75.7 | -175.7 | 0 | 0 | 0 | 112.5 | Y1595 Q1596 L1597 L1601 A1602 V1603 I1673 | Y1595-I1599 HydrophobicContact CD1-CD1 4.01Å; Y1595-I1599 HydrophobicContact CD1-CG1 4.27Å; Y1595-I1599 HydrophobicContact CD2-CD1 4.47Å; Y1595-I1599 HydrophobicContact CE1-CD1 3.32Å; Y1595-I1599 VanDerWaalsContact CE1-CD1 3.4Å; Y1595-I1599 HydrophobicContact CE1-CG1 4.02Å; Y1595-I1599 HydrophobicContact CE2-CD1 4.02Å; Y1595-I1599 HydrophobicContact CE2-CG1 4.15Å; Y1595-I1599 VanDerWaalsContact CZ-CD1 3.45Å; Y1595-I1599 WeakPolarHBondContact O-CB 3.44Å; Y1595-I1599 WeakPolarHBondContact O-CG1 3.34Å; Y1595-I1599 PolarHBondContact O-N 2.98Å; Y1595-I1599 WeakPolarHBondContact OH-CD1 3.31Å; Q1596-I1599 PolarHBondContact O-N 3.4Å; L1597-I1599 VanDerWaalsContact C-N 3.28Å; L1597-I1599 PolarHBondContact O-N 3.1Å; I1599-L1601 VanDerWaalsContact C-N 3.29Å; I1599-L1601 PolarHBondContact O-N 3.13Å; I1599-A1602 CarbonylContact O-C 3.59Å; I1599-A1602 WeakPolarHBondContact O-CA 3.1Å; I1599-A1602 WeakPolarHBondContact O-CB 3.42Å; I1599-A1602 PolarHBondContact O-N 3.14Å; I1599-V1603 HydrophobicContact CG2-CG2 3.85Å; I1599-V1603 VanDerWaalsContact O-CB 3.27Å; I1599-V1603 WeakPolarHBondContact O-CB 3.43Å; I1599-V1603 WeakPolarHBondContact O-CG2 3.37Å; I1599-V1603 PolarHBondContact O-N 3.3Å; I1599-I1673 HydrophobicContact CG1-CD1 4.04Å |
| 1600 | S | 42.8 | Very low | 40.5 | Very low | 78.6 Ų | 78.6 | 84.8 Ų | 84.8 | 55% | 0.55 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.1 | -29.3 | 177.4 | 2.4 | 0 | 0 | 0 | 0 | 113.7 | Q1596 L1597 L1598 V1603 S1604 | Q1596-S1600 WeakPolarHBondContact O-CB 3.39Å; Q1596-S1600 PolarHBondContact O-N 3.42Å; Q1596-S1600 PolarHBondContact O-OG 3.06Å; L1597-S1600 PolarHBondContact O-N 3.33Å; L1597-S1600 PolarHBondContact O-OG 3.21Å; L1598-S1600 WeakPolarHBondContact O-CA 3.41Å; L1598-S1600 PolarHBondContact O-N 2.77Å; L1598-S1600 PolarHBondContact O-OG 2.71Å; S1600-V1603 PolarHBondContact O-N 2.98Å; S1600-S1604 WeakPolarHBondContact O-CB 3.22Å; S1600-S1604 PolarHBondContact O-N 3.35Å; S1600-S1604 VanDerWaalsContact O-N 3.08Å |
| 1601 | L | 40.8 | Very low | 39.6 | Very low | 88.4 Ų | 88.4 | 84.9 Ų | 84.9 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -84.3 | -27.2 | 174.4 | -82.3 | 111.7 | 0 | 0 | 0 | 113.3 | L1575 L1597 L1598 I1599 V1603 S1604 V1605 L1703 L1706 Q1710 I1713 | L1575-L1601 HydrophobicContact CD1-CB 3.57Å; L1575-L1601 HydrophobicContact CD2-CB 3.6Å; L1575-L1601 HydrophobicContact CD2-CD1 4.39Å; L1575-L1601 HydrophobicContact CG-CB 4.24Å; L1597-L1601 HydrophobicContact CD1-CD1 4.01Å; L1597-L1601 HydrophobicContact CD2-CD1 4.46Å; L1597-L1601 HydrophobicContact CG-CD1 4.12Å; L1597-L1601 WeakPolarHBondContact O-CD1 3.41Å; L1597-L1601 WeakPolarHBondContact O-CG 3.26Å; L1597-L1601 PolarHBondContact O-N 3.08Å; L1598-L1601 PolarHBondContact O-N 3.47Å; L1598-L1601 VanDerWaalsContact O-N 3.08Å; I1599-L1601 VanDerWaalsContact C-N 3.29Å; I1599-L1601 PolarHBondContact O-N 3.13Å; L1601-V1603 VanDerWaalsContact C-N 3.3Å; L1601-V1603 PolarHBondContact O-N 3.07Å; L1601-S1604 PolarHBondContact O-N 2.98Å; L1601-S1604 VanDerWaalsContact O-N 3.08Å; L1601-V1605 WeakPolarHBondContact O-CG2 3.48Å; L1601-V1605 PolarHBondContact O-N 3.03Å; L1601-L1703 HydrophobicContact CD1-CD1 4.42Å; L1601-L1706 HydrophobicContact CD1-CD2 3.95Å; L1601-Q1710 VanDerWaalsContact CB-NE2 3.32Å; L1601-I1713 HydrophobicContact CB-CD1 4.24Å; L1601-I1713 HydrophobicContact CB-CG2 4.23Å; L1601-I1713 HydrophobicContact CD2-CD1 4.19Å; L1601-I1713 WeakPolarHBondContact O-CG2 3.44Å |
| 1602 | A | 37 | Very low | 38.7 | Very low | 41.8 Ų | 41.8 | 87.5 Ų | 87.5 | 35% | 0.345 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -80.8 | -18 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1575 L1598 I1599 S1604 I1673 Q1710 | L1575-A1602 HydrophobicContact CB-CB 3.41Å; L1575-A1602 VanDerWaalsContact CB-CB 3.41Å; L1575-A1602 HydrophobicContact CD2-CB 3.77Å; L1575-A1602 HydrophobicContact CG-CB 4.12Å; L1598-A1602 VanDerWaalsContact O-CB 3.23Å; L1598-A1602 WeakPolarHBondContact O-CB 3.49Å; L1598-A1602 PolarHBondContact O-N 3.4Å; I1599-A1602 CarbonylContact O-C 3.59Å; I1599-A1602 WeakPolarHBondContact O-CA 3.1Å; I1599-A1602 WeakPolarHBondContact O-CB 3.42Å; I1599-A1602 PolarHBondContact O-N 3.14Å; A1602-S1604 PolarHBondContact O-N 3.29Å; A1602-S1604 VanDerWaalsContact O-N 3.16Å; A1602-I1673 HydrophobicContact CB-CD1 3.92Å; A1602-I1673 HydrophobicContact CB-CG1 3.97Å; A1602-Q1710 HydrophobicContact CB-CG 4.37Å |
| 1603 | V | 38.6 | Very low | 37.7 | Very low | 100.6 Ų | 100.6 | 92.3 Ų | 92.3 | 61% | 0.61 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -85.2 | 1.4 | -175.1 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | I1599 S1600 L1601 V1605 K1606 | I1599-V1603 HydrophobicContact CG2-CG2 3.85Å; I1599-V1603 VanDerWaalsContact O-CB 3.27Å; I1599-V1603 WeakPolarHBondContact O-CB 3.43Å; I1599-V1603 WeakPolarHBondContact O-CG2 3.37Å; I1599-V1603 PolarHBondContact O-N 3.3Å; S1600-V1603 PolarHBondContact O-N 2.98Å; L1601-V1603 VanDerWaalsContact C-N 3.3Å; L1601-V1603 PolarHBondContact O-N 3.07Å; V1603-V1605 VanDerWaalsContact C-N 3.26Å; V1603-V1605 PolarHBondContact O-N 3.36Å; V1603-K1606 WeakPolarHBondContact O-CB 3.28Å; V1603-K1606 PolarHBondContact O-N 3.05Å; V1603-K1606 VanDerWaalsContact O-N 3.13Å |
| 1604 | S | 31.9 | Very low | 36.8 | Very low | 80.8 Ų | 80.8 | 94.6 Ų | 94.6 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -97.7 | -3.8 | 173.2 | -123.1 | 0 | 0 | 0 | 0 | 114.7 | T1572 S1600 L1601 A1602 K1606 | T1572-S1604 WeakPolarHBondContact CG2-OG 3.34Å; S1600-S1604 WeakPolarHBondContact O-CB 3.22Å; S1600-S1604 PolarHBondContact O-N 3.35Å; S1600-S1604 VanDerWaalsContact O-N 3.08Å; L1601-S1604 PolarHBondContact O-N 2.98Å; L1601-S1604 VanDerWaalsContact O-N 3.08Å; A1602-S1604 PolarHBondContact O-N 3.29Å; A1602-S1604 VanDerWaalsContact O-N 3.16Å; S1604-K1606 VanDerWaalsContact C-N 3.3Å |
| 1605 | V | 36.1 | Very low | 35.8 | Very low | 76.8 Ų | 76.8 | 100.9 Ų | 100.9 | 47% | 0.465 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.8 | 27.1 | 162.3 | 177.3 | 0 | 0 | 0 | 0 | 114.6 | Y1576 L1601 V1603 I1713 V1714 | Y1576-V1605 HydrophobicContact CE2-CG2 4.5Å; Y1576-V1605 VanDerWaalsContact CE2-N 3.27Å; Y1576-V1605 VanDerWaalsContact OH-CA 3.31Å; Y1576-V1605 WeakPolarHBondContact OH-CA 3.13Å; L1601-V1605 WeakPolarHBondContact O-CG2 3.48Å; L1601-V1605 PolarHBondContact O-N 3.03Å; V1603-V1605 VanDerWaalsContact C-N 3.26Å; V1603-V1605 PolarHBondContact O-N 3.36Å; V1605-I1713 WeakPolarHBondContact CG1-O 3.37Å; V1605-I1713 HydrophobicContact CG2-CG2 3.71Å; V1605-I1713 WeakPolarHBondContact CG2-O 3.36Å; V1605-V1714 HydrophobicContact CB-CG2 4.35Å; V1605-V1714 HydrophobicContact CG1-CB 4.38Å; V1605-V1714 HydrophobicContact CG1-CG1 3.87Å; V1605-V1714 HydrophobicContact CG1-CG2 3.68Å |
| 1606 | K | 31.1 | Very low | 34.8 | Very low | 136.2 Ų | 136.2 | 102.3 Ų | 102.3 | 59% | 0.592 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -18.7 | -172 | -110.8 | 178 | 176.1 | -177.3 | 0 | 115.9 | Y1576 V1603 S1604 S1608 D1665 V1666 A1669 | Y1576-K1606 HydrophobicContact CE1-CD 4.24Å; Y1576-K1606 HydrophobicContact CE1-CG 3.96Å; Y1576-K1606 WeakPolarHBondContact OH-CB 3.13Å; Y1576-K1606 WeakPolarHBondContact OH-CD 3.49Å; Y1576-K1606 WeakPolarHBondContact OH-CG 3.21Å; Y1576-K1606 PolarHBondContact OH-N 3.17Å; Y1576-K1606 VanDerWaalsContact OH-N 3.11Å; V1603-K1606 WeakPolarHBondContact O-CB 3.28Å; V1603-K1606 PolarHBondContact O-N 3.05Å; V1603-K1606 VanDerWaalsContact O-N 3.13Å; S1604-K1606 VanDerWaalsContact C-N 3.3Å; K1606-S1608 VanDerWaalsContact C-N 3.26Å; K1606-S1608 PolarHBondContact O-N 3.28Å; K1606-D1665 PolarHBondContact NZ-O 3.38Å; K1606-V1666 PolarHBondContact NZ-O 3.38Å; K1606-A1669 HydrophobicContact CD-CB 3.77Å |
| 1607 | D | 27 | Very low | 33.7 | Very low | 108.4 Ų | 108.4 | 104 Ų | 104 | 58% | 0.58 | 58% | 0.577 | S | S | * | * | trans | -123.7 | 92.4 | 162.3 | -81.8 | -30.5 | 0 | 0 | 0 | 113.1 | S1609 S1610 | D1607-S1609 VanDerWaalsContact C-N 3.33Å; D1607-S1609 PolarHBondContact O-N 3.01Å; D1607-S1610 PolarHBondContact O-N 2.67Å | ||
| 1608 | S | 27.9 | Very low | 32.7 | Very low | 83.8 Ų | 83.8 | 104.5 Ų | 104.5 | 59% | 0.586 | 58% | 0.584 | S | S | * | * | trans | -99.7 | 47.1 | 178.8 | 60.9 | 0 | 0 | 0 | 0 | 115.7 | K1606 R1612 | K1606-S1608 VanDerWaalsContact C-N 3.26Å; K1606-S1608 PolarHBondContact O-N 3.28Å; S1608-R1612 WeakPolarHBondContact O-CB 3.38Å; S1608-R1612 PolarHBondContact O-NE 3.37Å; S1608-R1612 PolarHBondContact O-NH2 2.95Å; S1608-R1612 PolarHBondContact OG-NH2 3.21Å | ||
| 1609 | S | 29.1 | Very low | 31.8 | Very low | 89.2 Ų | 89.2 | 109 Ų | 109 | 62% | 0.624 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.7 | 17 | 164 | 57.6 | 0 | 0 | 0 | 0 | 116.9 | D1607 | D1607-S1609 VanDerWaalsContact C-N 3.33Å; D1607-S1609 PolarHBondContact O-N 3.01Å |
| 1610 | S | 28.3 | Very low | 30.8 | Very low | 98.4 Ų | 98.4 | 109.9 Ų | 109.9 | 69% | 0.688 | 62% | 0.621 | S | S | * | * | trans | -130.1 | 121.6 | 179.7 | 171.5 | 0 | 0 | 0 | 0 | 112.1 | D1607 R1612 | D1607-S1610 PolarHBondContact O-N 2.67Å; S1610-R1612 PolarHBondContact O-N 2.84Å | ||
| 1611 | C | 29 | Very low | 30.1 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 71% | 0.709 | 63% | 0.632 | S | S | * | * | trans | -129.4 | 96.1 | 164 | -89.2 | 0 | 0 | 0 | 0 | 113 | N1613 F1615 | C1611-N1613 VanDerWaalsContact C-N 3.34Å; C1611-N1613 PolarHBondContact O-N 3.28Å; C1611-F1615 HydrophobicContact CB-CD2 4.23Å; C1611-F1615 HydrophobicContact CB-CE2 4.42Å | ||
| 1612 | R | 27.7 | Very low | 29.4 | Very low | 205 Ų | 205 | 118.8 Ų | 118.8 | 77% | 0.774 | 65% | 0.647 | S | S | * | * | trans | -68.4 | 126 | 161 | -131.2 | 179.7 | -176.5 | -179.3 | 1 | 112.4 | S1608 S1610 D1614 | S1608-R1612 WeakPolarHBondContact O-CB 3.38Å; S1608-R1612 PolarHBondContact O-NE 3.37Å; S1608-R1612 PolarHBondContact O-NH2 2.95Å; S1608-R1612 PolarHBondContact OG-NH2 3.21Å; S1610-R1612 PolarHBondContact O-N 2.84Å; R1612-D1614 IonicContact CZ-OD2 2.75Å; R1612-D1614 IonicContact NE-OD2 3.87Å; R1612-D1614 IonicContact NH2-OD2 2.93Å; R1612-D1614 PolarHBondContact NH2-OD2 2.95Å | ||
| 1613 | N | 27.6 | Very low | 29 | Very low | 134.6 Ų | 134.6 | 124.6 Ų | 124.6 | 72% | 0.72 | 67% | 0.666 | S | S | * | * | trans | 107.7 | 115.1 | -163.6 | -59.3 | -8.3 | 0 | 0 | 0 | 113.3 | C1611 | C1611-N1613 VanDerWaalsContact C-N 3.34Å; C1611-N1613 PolarHBondContact O-N 3.28Å | ||
| 1614 | D | 27.1 | Very low | 28.4 | Very low | 136.4 Ų | 136.4 | 126.6 Ų | 126.6 | 73% | 0.729 | 67% | 0.674 | S | S | * | * | trans | -172.3 | 132.7 | 131.1 | -85.9 | -23.9 | 0 | 0 | 0 | 113.9 | R1612 S1616 | R1612-D1614 IonicContact CZ-OD2 2.75Å; R1612-D1614 IonicContact NE-OD2 3.87Å; R1612-D1614 IonicContact NH2-OD2 2.93Å; R1612-D1614 PolarHBondContact NH2-OD2 2.95Å; D1614-S1616 PolarHBondContact O-N 3.22Å | ||
| 1615 | F | 26.7 | Very low | 28.1 | Very low | 179.6 Ų | 179.6 | 127.6 Ų | 127.6 | 79% | 0.788 | 68% | 0.68 | S | S | * | * | trans | -151.9 | 80.2 | 171.5 | -94.7 | -78.9 | 0 | 0 | 0 | 113.1 | C1611 F1617 T1618 | C1611-F1615 HydrophobicContact CB-CD2 4.23Å; C1611-F1615 HydrophobicContact CB-CE2 4.42Å; F1615-F1617 HydrophobicContact CD1-CD2 4.42Å; F1615-F1617 AromaticContact CD1-CE2 3.92Å; F1615-F1617 HydrophobicContact CD1-CE2 3.92Å; F1615-F1617 PolarHBondContact O-N 3.32Å; F1615-T1618 HydrophobicContact CB-CG2 3.9Å; F1615-T1618 HydrophobicContact CD1-CG2 3.96Å; F1615-T1618 HydrophobicContact CG-CG2 4.32Å; F1615-T1618 PolarHBondContact O-N 3.11Å; F1615-T1618 PolarHBondContact O-OG1 2.92Å | ||
| 1616 | S | 27.4 | Very low | 27.7 | Very low | 91.8 Ų | 91.8 | 131.7 Ų | 131.7 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | trans | -91.6 | 114.2 | 164.9 | 60.2 | 0 | 0 | 0 | 0 | 114 | D1614 T1618 | D1614-S1616 PolarHBondContact O-N 3.22Å; S1616-T1618 PolarHBondContact O-N 3.41Å; S1616-T1618 PolarHBondContact O-OG1 3.13Å | ||
| 1617 | F | 27 | Very low | 27.5 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 69% | 0.689 | 70% | 0.704 | S | S | * | * | trans | -119.6 | 87.5 | 155.3 | -118 | -93 | 0 | 0 | 0 | 111.6 | F1615 N1619 S1620 | F1615-F1617 HydrophobicContact CD1-CD2 4.42Å; F1615-F1617 AromaticContact CD1-CE2 3.92Å; F1615-F1617 HydrophobicContact CD1-CE2 3.92Å; F1615-F1617 PolarHBondContact O-N 3.32Å; F1617-N1619 VanDerWaalsContact C-N 3.26Å; F1617-N1619 HydrophobicContact CD1-CB 4.14Å; F1617-N1619 WeakPolarHBondContact CD1-ND2 3.26Å; F1617-N1619 WeakPolarHBondContact CE1-ND2 3.48Å; F1617-N1619 PolarHBondContact O-N 3.32Å; F1617-S1620 PolarHBondContact O-N 3.33Å; F1617-S1620 PolarHBondContact O-OG 2.99Å | ||
| 1618 | T | 29 | Very low | 27.4 | Very low | 103.4 Ų | 103.4 | 132.8 Ų | 132.8 | 63% | 0.634 | 72% | 0.717 | S | S | * | * | trans | -51.9 | 53.2 | 157 | 57.7 | 0 | 0 | 0 | 0 | 114.6 | F1615 S1616 S1620 L1621 R1622 | F1615-T1618 HydrophobicContact CB-CG2 3.9Å; F1615-T1618 HydrophobicContact CD1-CG2 3.96Å; F1615-T1618 HydrophobicContact CG-CG2 4.32Å; F1615-T1618 PolarHBondContact O-N 3.11Å; F1615-T1618 PolarHBondContact O-OG1 2.92Å; S1616-T1618 PolarHBondContact O-N 3.41Å; S1616-T1618 PolarHBondContact O-OG1 3.13Å; T1618-S1620 VanDerWaalsContact C-N 3.3Å; T1618-S1620 PolarHBondContact O-N 3.17Å; T1618-L1621 PolarHBondContact O-N 2.96Å; T1618-R1622 PolarHBondContact O-N 2.88Å | ||
| 1619 | N | 27.2 | Very low | 27.2 | Very low | 121.6 Ų | 121.6 | 133 Ų | 133 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | trans | -139.3 | 89.9 | 157.6 | -91.5 | -40.8 | 0 | 0 | 0 | 113.6 | F1617 L1621 R1622 Q1623 | F1617-N1619 VanDerWaalsContact C-N 3.26Å; F1617-N1619 HydrophobicContact CD1-CB 4.14Å; F1617-N1619 WeakPolarHBondContact CD1-ND2 3.26Å; F1617-N1619 WeakPolarHBondContact CE1-ND2 3.48Å; F1617-N1619 PolarHBondContact O-N 3.32Å; N1619-L1621 VanDerWaalsContact C-N 3.28Å; N1619-L1621 PolarHBondContact O-N 2.9Å; N1619-R1622 PolarHBondContact O-N 3.39Å; N1619-Q1623 WeakPolarHBondContact O-CG 3.46Å; N1619-Q1623 PolarHBondContact O-N 3.46Å | ||
| 1620 | S | 27.9 | Very low | 27.1 | Very low | 91.2 Ų | 91.2 | 137.2 Ų | 137.2 | 64% | 0.638 | 73% | 0.733 | S | S | * | * | trans | -104 | 47.8 | 169.9 | 37.5 | 0 | 0 | 0 | 0 | 113.3 | F1617 T1618 R1622 Q1623 | F1617-S1620 PolarHBondContact O-N 3.33Å; F1617-S1620 PolarHBondContact O-OG 2.99Å; T1618-S1620 VanDerWaalsContact C-N 3.3Å; T1618-S1620 PolarHBondContact O-N 3.17Å; S1620-R1622 VanDerWaalsContact C-N 3.3Å; S1620-R1622 PolarHBondContact O-N 2.74Å; S1620-Q1623 PolarHBondContact O-N 2.74Å | ||
| 1621 | L | 27.8 | Very low | 26.9 | Very low | 147.2 Ų | 147.2 | 137.6 Ų | 137.6 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | trans | -96 | 74.5 | 164 | -98.2 | 159.6 | 0 | 0 | 0 | 112.3 | T1618 N1619 | T1618-L1621 PolarHBondContact O-N 2.96Å; N1619-L1621 VanDerWaalsContact C-N 3.28Å; N1619-L1621 PolarHBondContact O-N 2.9Å | ||
| 1622 | R | 26.7 | Very low | 26.7 | Very low | 206.2 Ų | 206.2 | 139.8 Ų | 139.8 | 78% | 0.778 | 74% | 0.74 | S | S | * | * | trans | -120.1 | 80.9 | 176.3 | -86 | -174.3 | 177.1 | -169.4 | -0.3 | 115.2 | T1618 N1619 S1620 | T1618-R1622 PolarHBondContact O-N 2.88Å; N1619-R1622 PolarHBondContact O-N 3.39Å; S1620-R1622 VanDerWaalsContact C-N 3.3Å; S1620-R1622 PolarHBondContact O-N 2.74Å | ||
| 1623 | Q | 27.3 | Very low | 26.6 | Very low | 162.8 Ų | 162.8 | 134.4 Ų | 134.4 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | trans | -146.1 | 109 | 135.9 | -98.2 | 170.9 | 1.9 | 0 | 0 | 113.9 | N1619 S1620 S1625 | N1619-Q1623 WeakPolarHBondContact O-CG 3.46Å; N1619-Q1623 PolarHBondContact O-N 3.46Å; S1620-Q1623 PolarHBondContact O-N 2.74Å; Q1623-S1625 PolarHBondContact O-N 3.07Å | ||
| 1624 | N | 26.1 | Very low | 26.5 | Very low | 143.6 Ų | 143.6 | 135.4 Ų | 135.4 | 77% | 0.768 | 74% | 0.738 | S | S | * | * | trans | 20.6 | 104.8 | 165.6 | -61.8 | -20.7 | 0 | 0 | 0 | 116.6 | L1626 | N1624-L1626 PolarHBondContact O-N 3.19Š| ||
| 1625 | S | 26.2 | Very low | 26.5 | Very low | 100.6 Ų | 100.6 | 133.7 Ų | 133.7 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | -142.4 | 119.7 | -83.3 | 49.8 | 0 | 0 | 0 | 0 | 111.5 | Q1623 | Q1623-S1625 PolarHBondContact O-N 3.07Š| |||
| 1626 | L | 26.5 | Very low | 26.5 | Very low | 163.6 Ų | 163.6 | 130.7 Ų | 130.7 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | trans | -29.5 | 160.1 | 156.5 | -111.3 | 76.3 | 0 | 0 | 0 | 113.7 | N1624 L1628 | N1624-L1626 PolarHBondContact O-N 3.19Å; L1626-L1628 PolarHBondContact O-N 3.38Å | ||
| 1627 | P | 28.6 | Very low | 26.4 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | -122.8 | 164.8 | -53.6 | 37.3 | -24 | 0 | 0 | 0 | 113.2 | |||||
| 1628 | L | 23.8 | Very low | 26.3 | Very low | 161.6 Ų | 161.6 | 131.6 Ų | 131.6 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -156.6 | 117 | 130.4 | -146.2 | 68.8 | 0 | 0 | 0 | 112.3 | L1626 Q1630 | L1626-L1628 PolarHBondContact O-N 3.38Å; L1628-Q1630 HydrophobicContact CD1-CB 4.49Å; L1628-Q1630 HydrophobicContact CD2-CB 4.22Å; L1628-Q1630 HydrophobicContact CG-CB 4.17Å | ||
| 1629 | A | 24.9 | Very low | 26.2 | Very low | 86.4 Ų | 86.4 | 132.4 Ų | 132.4 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | -147.4 | 121.8 | 122.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1631 | A1629-S1631 VanDerWaalsContact C-N 3.34Å; A1629-S1631 PolarHBondContact O-N 3.28Å | |||
| 1630 | Q | 25.7 | Very low | 26.2 | Very low | 178.4 Ų | 178.4 | 132.9 Ų | 132.9 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | -116.6 | 124 | 156.9 | -87.6 | 171.2 | -20 | 0 | 0 | 113.5 | L1628 L1632 | L1628-Q1630 HydrophobicContact CD1-CB 4.49Å; L1628-Q1630 HydrophobicContact CD2-CB 4.22Å; L1628-Q1630 HydrophobicContact CG-CB 4.17Å; Q1630-L1632 HydrophobicContact CB-CB 4.4Å; Q1630-L1632 HydrophobicContact CG-CB 3.98Å; Q1630-L1632 HydrophobicContact CG-CD1 4.02Å; Q1630-L1632 HydrophobicContact CG-CG 3.98Å | ||
| 1631 | S | 24.8 | Very low | 26.1 | Very low | 107.2 Ų | 107.2 | 132.6 Ų | 132.6 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | trans | 164.4 | 134 | 150.7 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | A1629 | A1629-S1631 VanDerWaalsContact C-N 3.34Å; A1629-S1631 PolarHBondContact O-N 3.28Å | ||
| 1632 | L | 24.9 | Very low | 26.1 | Very low | 151.2 Ų | 151.2 | 131.6 Ų | 131.6 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | 66.1 | 97.2 | 162.6 | -83.1 | 167.5 | 0 | 0 | 0 | 114.8 | Q1630 | Q1630-L1632 HydrophobicContact CB-CB 4.4Å; Q1630-L1632 HydrophobicContact CG-CB 3.98Å; Q1630-L1632 HydrophobicContact CG-CD1 4.02Å; Q1630-L1632 HydrophobicContact CG-CG 3.98Å | ||
| 1633 | S | 26 | Very low | 26.1 | Very low | 91.8 Ų | 91.8 | 127.8 Ų | 127.8 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | 55.9 | 135.5 | 129.9 | 61.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1634 | D | 25.6 | Very low | 26.2 | Very low | 153.8 Ų | 153.8 | 128.8 Ų | 128.8 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | 162.2 | 135.8 | 97.7 | -78.9 | -39.6 | 0 | 0 | 0 | 113.7 | |||||
| 1635 | S | 26 | Very low | 26.3 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | -152.8 | 144.4 | 108.2 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1636 | T | 26.4 | Very low | 26.5 | Very low | 117.8 Ų | 117.8 | 132.6 Ų | 132.6 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | trans | 25.3 | 137.8 | 164.9 | 54.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1637 | N | 25.8 | Very low | 26.5 | Very low | 140.4 Ų | 140.4 | 130.1 Ų | 130.1 | 75% | 0.751 | 76% | 0.76 | S | S | * | * | 77.2 | 129.4 | 125.7 | -68.8 | -11.6 | 0 | 0 | 0 | 117.9 | T1639 | N1637-T1639 PolarHBondContact O-N 3.16Š| |||
| 1638 | T | 26.1 | Very low | 26.5 | Very low | 126.6 Ų | 126.6 | 133.2 Ų | 133.2 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | -10.1 | 133.1 | 117.5 | 46.7 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1639 | T | 25.4 | Very low | 26.8 | Very low | 120.6 Ų | 120.6 | 131 Ų | 131 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | -146.3 | 160.5 | 110.1 | 20.8 | 0 | 0 | 0 | 0 | 113.4 | N1637 | N1637-T1639 PolarHBondContact O-N 3.16Š| |||
| 1640 | T | 26.6 | Very low | 27 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 61.1 | 134.2 | 150.6 | 35.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1641 | A | 26.7 | Very low | 27.1 | Very low | 86.8 Ų | 86.8 | 129.8 Ų | 129.8 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | -169.9 | 130.9 | 137.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1643 | A1641-T1643 VanDerWaalsContact C-N 3.29Å; A1641-T1643 PolarHBondContact O-N 2.9Å; A1641-T1643 VanDerWaalsContact O-N 3.16Å | ||
| 1642 | T | 27.2 | Very low | 27.3 | Very low | 124.4 Ų | 124.4 | 131.6 Ų | 131.6 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -175.5 | 113.2 | 150.5 | 35.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1643 | T | 28.1 | Very low | 27.5 | Very low | 126.2 Ų | 126.2 | 128.1 Ų | 128.1 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | trans | 58.7 | 105.3 | 151 | 22.5 | 0 | 0 | 0 | 0 | 119.7 | A1641 | A1641-T1643 VanDerWaalsContact C-N 3.29Å; A1641-T1643 PolarHBondContact O-N 2.9Å; A1641-T1643 VanDerWaalsContact O-N 3.16Å | ||
| 1644 | K | 29.2 | Very low | 27.7 | Very low | 184.8 Ų | 184.8 | 131.2 Ų | 131.2 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | 177 | 114.5 | 125.6 | -114.8 | 174.6 | -179.7 | -178.9 | 0 | 115.6 | |||||
| 1645 | M | 26.9 | Very low | 28 | Very low | 167.4 Ų | 167.4 | 131.4 Ų | 131.4 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 112.4 | 103.8 | 137.9 | -80.5 | -159.7 | -168.8 | 0 | 0 | 115.7 | ||||
| 1646 | I | 30.3 | Very low | 28.1 | Very low | 156.2 Ų | 156.2 | 134.1 Ų | 134.1 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | -152.9 | 111.6 | 126.5 | -73.1 | 170.7 | 0 | 0 | 0 | 110.7 | |||||
| 1647 | T | 28.3 | Very low | 28.2 | Very low | 111.4 Ų | 111.4 | 131.5 Ų | 131.5 | 68% | 0.683 | 78% | 0.777 | S | S | * | * | trans | 164.3 | 140.4 | 158.5 | 48.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1648 | E | 28.7 | Very low | 28.4 | Very low | 171.6 Ų | 171.6 | 131.2 Ų | 131.2 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | 121.3 | 129.6 | 141.3 | -80.2 | 175.2 | -164.2 | 0 | 0 | 115.5 | ||||
| 1649 | T | 29.6 | Very low | 28.6 | Very low | 116.6 Ų | 116.6 | 133.8 Ų | 133.8 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | cis | -174.5 | 142.2 | 14.5 | 23.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1650 | N | 28.1 | Very low | 28.9 | Very low | 156.6 Ų | 156.6 | 134.4 Ų | 134.4 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | trans | 67.6 | 117.6 | 156.3 | -68.4 | -24.4 | 0 | 0 | 0 | 117.5 | ||||
| 1651 | A | 28.7 | Very low | 29 | Very low | 81.8 Ų | 81.8 | 133.2 Ų | 133.2 | 68% | 0.676 | 78% | 0.777 | S | S | * | * | 146.9 | 131.8 | 118.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1652 | T | 28.5 | Very low | 29.3 | Very low | 146.4 Ų | 146.4 | 136.7 Ų | 136.7 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | 59.2 | 117 | 149.9 | 60.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1653 | G | 30.3 | Very low | 29.4 | Very low | 76.6 Ų | 76.6 | 138.5 Ų | 138.5 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -170.8 | 82.3 | 168 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1654 | N | 28.5 | Very low | 29.5 | Very low | 157.4 Ų | 157.4 | 135.4 Ų | 135.4 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -39 | 148.5 | 173.8 | -93.6 | 8.3 | 0 | 0 | 0 | 116.1 | ||||
| 1655 | L | 31.9 | Very low | 29.7 | Very low | 157.2 Ų | 157.2 | 133.6 Ų | 133.6 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | trans | 114.9 | 121.4 | 148.9 | -78.5 | 156.7 | 0 | 0 | 0 | 115.3 | ||||
| 1656 | D | 28.7 | Very low | 30.1 | Very low | 159.2 Ų | 159.2 | 130.9 Ų | 130.9 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | 27.7 | 131.7 | 134.1 | -98.2 | -20 | 0 | 0 | 0 | 115.5 | ||||
| 1657 | G | 29.2 | Very low | 30.5 | Very low | 62 Ų | 62 | 128 Ų | 128 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | trans | 167.4 | 85.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1658 | T | 30.1 | Very low | 31.1 | Very low | 134.6 Ų | 134.6 | 127.7 Ų | 127.7 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | 49.2 | 120.7 | 160 | 60.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1659 | K | 30.8 | Very low | 31.6 | Very low | 180 Ų | 180 | 121.4 Ų | 121.4 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | 155.6 | 139 | 132.5 | -94.2 | -177.8 | 170.7 | -149.7 | 0 | 115.1 | ||||
| 1660 | D | 29.8 | Very low | 32.2 | Very low | 133.8 Ų | 133.8 | 120.5 Ų | 120.5 | 72% | 0.716 | 72% | 0.718 | S | S | * | * | trans | 40.7 | 131.6 | 133.3 | -53.2 | -35.1 | 0 | 0 | 0 | 116.3 | ||||
| 1661 | S | 30.5 | Very low | 32.9 | Very low | 106.2 Ų | 106.2 | 116 Ų | 116 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | trans | -172.1 | 126.9 | 134 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | D1663 | S1661-D1663 PolarHBondContact O-N 3.42Š| ||
| 1662 | D | 31.2 | Very low | 33.8 | Very low | 160 Ų | 160 | 115.2 Ų | 115.2 | 86% | 0.856 | 68% | 0.683 | S | S | * | * | trans | -74.1 | 128.2 | 156.7 | -66 | -42.4 | 0 | 0 | 0 | 114 | ||||
| 1663 | D | 29.7 | Very low | 34.9 | Very low | 162.6 Ų | 162.6 | 110.1 Ų | 110.1 | 87% | 0.87 | 65% | 0.65 | S | S | * | * | trans | -144.5 | 120.8 | 164.2 | -99.7 | -38.6 | 0 | 0 | 0 | 111.3 | S1661 | S1661-D1663 PolarHBondContact O-N 3.42Š| ||
| 1664 | G | 30.4 | Very low | 36 | Very low | 61 Ų | 61 | 110.2 Ų | 110.2 | 63% | 0.629 | 63% | 0.63 | S | S | * | * | trans | -151.9 | 36.2 | 176 | 0 | 0 | 0 | 0 | 0 | 119 | V1666 D1667 | G1664-V1666 PolarHBondContact O-N 3.47Å; G1664-V1666 VanDerWaalsContact O-N 3.08Å; G1664-D1667 VanDerWaalsContact CA-OD2 3.29Å; G1664-D1667 WeakPolarHBondContact CA-OD2 3.32Å | ||
| 1665 | D | 33.2 | Very low | 37 | Very low | 148 Ų | 148 | 106.3 Ų | 106.3 | 79% | 0.791 | 61% | 0.606 | S | S | * | * | trans | -104.8 | 28.3 | 177.7 | -109.8 | -31.3 | 0 | 0 | 0 | 114 | K1606 D1667 N1668 | K1606-D1665 PolarHBondContact NZ-O 3.38Å; D1665-D1667 PolarHBondContact O-N 3.42Å; D1665-N1668 PolarHBondContact O-N 3.41Å; D1665-N1668 PolarHBondContact OD1-ND2 2.88Å | ||
| 1666 | V | 35.1 | Very low | 38.1 | Very low | 110.4 Ų | 110.4 | 100.5 Ų | 100.5 | 67% | 0.669 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -87.8 | 6.1 | -179.9 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | K1606 G1664 N1668 A1669 | K1606-V1666 PolarHBondContact NZ-O 3.38Å; G1664-V1666 PolarHBondContact O-N 3.47Å; G1664-V1666 VanDerWaalsContact O-N 3.08Å; V1666-N1668 PolarHBondContact O-N 2.9Å; V1666-N1668 VanDerWaalsContact O-N 3.15Å; V1666-N1668 PolarHBondContact O-OD1 3.32Å; V1666-A1669 PolarHBondContact O-N 3.34Å; V1666-A1669 VanDerWaalsContact O-N 3.08Å |
| 1667 | D | 40.3 | Very low | 39.2 | Very low | 94.2 Ų | 94.2 | 94.7 Ų | 94.7 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -82.5 | -14.6 | -174 | -74 | -17.1 | 0 | 0 | 0 | 113.1 | G1664 D1665 A1669 E1670 C1671 K1723 | G1664-D1667 VanDerWaalsContact CA-OD2 3.29Å; G1664-D1667 WeakPolarHBondContact CA-OD2 3.32Å; D1665-D1667 PolarHBondContact O-N 3.42Å; D1667-A1669 VanDerWaalsContact C-N 3.29Å; D1667-A1669 PolarHBondContact O-N 2.98Å; D1667-A1669 VanDerWaalsContact O-N 3.1Å; D1667-E1670 HydrophobicContact CB-CB 4.31Å; D1667-E1670 HydrophobicContact CB-CG 3.74Å; D1667-E1670 WeakPolarHBondContact O-CB 3.34Å; D1667-E1670 PolarHBondContact O-N 3.01Å; D1667-C1671 VanDerWaalsContact O-CB 3.24Å; D1667-C1671 WeakPolarHBondContact O-CB 3.45Å; D1667-C1671 PolarHBondContact O-N 2.79Å; D1667-K1723 IonicContact OD2-NZ 3.09Å; D1667-K1723 PolarHBondContact OD2-NZ 3.18Å |
| 1668 | N | 40 | Very low | 40.5 | Very low | 105 Ų | 105 | 95.6 Ų | 95.6 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -23.9 | 178.9 | -75.6 | -37.5 | 0 | 0 | 0 | 113.4 | D1665 V1666 E1670 N1672 P1958 | D1665-N1668 PolarHBondContact O-N 3.41Å; D1665-N1668 PolarHBondContact OD1-ND2 2.88Å; V1666-N1668 PolarHBondContact O-N 2.9Å; V1666-N1668 VanDerWaalsContact O-N 3.15Å; V1666-N1668 PolarHBondContact O-OD1 3.32Å; N1668-E1670 VanDerWaalsContact C-N 3.27Å; N1668-E1670 PolarHBondContact O-N 3.41Å; N1668-N1672 VanDerWaalsContact O-CB 3.28Å; N1668-N1672 WeakPolarHBondContact O-CB 3.43Å; N1668-N1672 VanDerWaalsContact O-CG 3.32Å; N1668-N1672 PolarHBondContact O-N 3.11Å; N1668-N1672 PolarHBondContact O-ND2 3.35Å; N1668-N1672 VanDerWaalsContact O-ND2 3.15Å; N1668-P1958 HydrophobicContact CB-CG 4.38Å |
| 1669 | A | 39.9 | Very low | 41.7 | Very low | 39.8 Ų | 39.8 | 91.5 Ų | 91.5 | 33% | 0.329 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -76.6 | -42 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L1573 K1606 V1666 D1667 C1671 N1672 I1673 | L1573-A1669 HydrophobicContact CD1-CB 4.43Å; K1606-A1669 HydrophobicContact CD-CB 3.77Å; V1666-A1669 PolarHBondContact O-N 3.34Å; V1666-A1669 VanDerWaalsContact O-N 3.08Å; D1667-A1669 VanDerWaalsContact C-N 3.29Å; D1667-A1669 PolarHBondContact O-N 2.98Å; D1667-A1669 VanDerWaalsContact O-N 3.1Å; A1669-C1671 VanDerWaalsContact C-N 3.26Å; A1669-C1671 PolarHBondContact O-N 3.19Å; A1669-N1672 PolarHBondContact O-N 3.14Å; A1669-I1673 WeakPolarHBondContact O-CG1 3.27Å; A1669-I1673 PolarHBondContact O-N 3.06Å |
| 1670 | E | 40.6 | Very low | 42.9 | Very low | 97.6 Ų | 97.6 | 84.2 Ų | 84.2 | 46% | 0.456 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.4 | -37.9 | -179.8 | -66 | -155.9 | 126.5 | 0 | 0 | 112 | K1577 K1590 Y1595 D1667 N1668 N1672 I1673 E1674 K1723 | K1577-E1670 WeakPolarHBondContact CE-OE1 3.45Å; K1577-E1670 IonicContact NZ-OE1 2.65Å; K1577-E1670 PolarHBondContact NZ-OE1 2.95Å; K1577-E1670 IonicContact NZ-OE2 3.56Å; K1577-E1670 PolarHBondContact NZ-OE2 3.41Å; K1590-E1670 IonicContact NZ-OE1 2.61Å; K1590-E1670 PolarHBondContact NZ-OE1 3.44Å; K1590-E1670 IonicContact NZ-OE2 3.59Å; Y1595-E1670 PolarHBondContact OH-OE1 2.71Å; D1667-E1670 HydrophobicContact CB-CB 4.31Å; D1667-E1670 HydrophobicContact CB-CG 3.74Å; D1667-E1670 WeakPolarHBondContact O-CB 3.34Å; D1667-E1670 PolarHBondContact O-N 3.01Å; N1668-E1670 VanDerWaalsContact C-N 3.27Å; N1668-E1670 PolarHBondContact O-N 3.41Å; E1670-N1672 VanDerWaalsContact C-N 3.28Å; E1670-N1672 PolarHBondContact O-N 3.02Å; E1670-N1672 VanDerWaalsContact O-N 3.12Å; E1670-I1673 WeakPolarHBondContact O-CD1 3.48Å; E1670-I1673 WeakPolarHBondContact O-CG1 3.09Å; E1670-I1673 PolarHBondContact O-N 3.07Å; E1670-I1673 VanDerWaalsContact O-N 3.1Å; E1670-E1674 VanDerWaalsContact O-CB 3.25Å; E1670-E1674 WeakPolarHBondContact O-CB 3.33Å; E1670-E1674 PolarHBondContact O-N 3.08Å; E1670-E1674 VanDerWaalsContact O-N 3.11Å; E1670-K1723 VanDerWaalsContact CD-NZ 3.34Å; E1670-K1723 VanDerWaalsContact OE1-CE 3.29Å; E1670-K1723 WeakPolarHBondContact OE1-CE 3.38Å; E1670-K1723 IonicContact OE1-NZ 2.65Å; E1670-K1723 PolarHBondContact OE1-NZ 2.92Å |
| 1671 | C | 43.1 | Very low | 44.1 | Very low | 61.8 Ų | 61.8 | 81.1 Ų | 81.1 | 42% | 0.418 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.7 | -30.8 | 177.1 | -122.1 | 0 | 0 | 0 | 0 | 112.7 | D1667 A1669 E1674 H1675 | D1667-C1671 VanDerWaalsContact O-CB 3.24Å; D1667-C1671 WeakPolarHBondContact O-CB 3.45Å; D1667-C1671 PolarHBondContact O-N 2.79Å; A1669-C1671 VanDerWaalsContact C-N 3.26Å; A1669-C1671 PolarHBondContact O-N 3.19Å; C1671-E1674 PolarHBondContact O-N 3.16Å; C1671-H1675 WeakPolarHBondContact O-CB 3.45Å; C1671-H1675 PolarHBondContact O-N 3.28Å; C1671-H1675 PolarHBondContact O-ND1 3Å |
| 1672 | N | 48.7 | Very low | 45.2 | Very low | 64.6 Ų | 64.6 | 79.8 Ų | 79.8 | 35% | 0.345 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -76 | -32.5 | 177.6 | -82.4 | -27.1 | 0 | 0 | 0 | 113.1 | N1668 A1669 E1670 E1674 H1675 I1676 C1955 P1958 T2061 | N1668-N1672 VanDerWaalsContact O-CB 3.28Å; N1668-N1672 WeakPolarHBondContact O-CB 3.43Å; N1668-N1672 VanDerWaalsContact O-CG 3.32Å; N1668-N1672 PolarHBondContact O-N 3.11Å; N1668-N1672 PolarHBondContact O-ND2 3.35Å; N1668-N1672 VanDerWaalsContact O-ND2 3.15Å; A1669-N1672 PolarHBondContact O-N 3.14Å; E1670-N1672 VanDerWaalsContact C-N 3.28Å; E1670-N1672 PolarHBondContact O-N 3.02Å; E1670-N1672 VanDerWaalsContact O-N 3.12Å; N1672-E1674 VanDerWaalsContact C-N 3.31Å; N1672-E1674 PolarHBondContact O-N 3.2Å; N1672-H1675 HydrophobicContact CB-CB 4.45Å; N1672-H1675 WeakPolarHBondContact O-CA 3.31Å; N1672-H1675 WeakPolarHBondContact O-CB 3.47Å; N1672-H1675 PolarHBondContact O-N 3.1Å; N1672-H1675 VanDerWaalsContact O-N 3.16Å; N1672-H1675 PolarHBondContact OD1-ND1 2.9Å; N1672-I1676 HydrophobicContact CB-CD1 4.45Å; N1672-I1676 WeakPolarHBondContact O-CB 3.48Å; N1672-I1676 WeakPolarHBondContact O-CD1 3.4Å; N1672-I1676 VanDerWaalsContact O-CG1 3.31Å; N1672-I1676 WeakPolarHBondContact O-CG1 3.44Å; N1672-I1676 PolarHBondContact O-N 2.93Å; N1672-I1676 VanDerWaalsContact O-N 3.08Å; N1672-C1955 PolarHBondContact ND2-O 3.46Å; N1672-P1958 WeakPolarHBondContact ND2-CD 3.43Å; N1672-P1958 WeakPolarHBondContact ND2-CG 3.36Å; N1672-T2061 WeakPolarHBondContact OD1-CG2 3.35Å |
| 1673 | I | 51 | Low | 46.2 | Very low | 39.4 Ų | 39.4 | 73.2 Ų | 73.2 | 20% | 0.202 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 178.5 | -60.3 | 164.9 | 0 | 0 | 0 | 110.6 | K1577 T1581 V1588 Y1595 I1599 A1602 A1669 E1670 H1675 I1676 C1677 I1713 L1719 | K1577-I1673 HydrophobicContact CB-CD1 4.45Å; K1577-I1673 HydrophobicContact CD-CD1 3.31Å; K1577-I1673 HydrophobicContact CD-CG1 3.82Å; T1581-I1673 HydrophobicContact CG2-CD1 4.27Å; V1588-I1673 HydrophobicContact CG1-CG2 4.38Å; Y1595-I1673 HydrophobicContact CE2-CG2 4.05Å; I1599-I1673 HydrophobicContact CG1-CD1 4.04Å; A1602-I1673 HydrophobicContact CB-CD1 3.92Å; A1602-I1673 HydrophobicContact CB-CG1 3.97Å; A1669-I1673 WeakPolarHBondContact O-CG1 3.27Å; A1669-I1673 PolarHBondContact O-N 3.06Å; E1670-I1673 WeakPolarHBondContact O-CD1 3.48Å; E1670-I1673 WeakPolarHBondContact O-CG1 3.09Å; E1670-I1673 PolarHBondContact O-N 3.07Å; E1670-I1673 VanDerWaalsContact O-N 3.1Å; I1673-H1675 VanDerWaalsContact C-N 3.33Å; I1673-H1675 PolarHBondContact O-N 3.28Å; I1673-I1676 PolarHBondContact O-N 3.15Å; I1673-C1677 WeakPolarHBondContact O-CB 3.43Å; I1673-C1677 PolarHBondContact O-N 3.27Å; I1673-C1677 PolarHBondContact O-SG 3.07Å; I1673-C1677 VanDerWaalsContact O-SG 3.36Å; I1673-I1713 HydrophobicContact CG2-CD1 3.91Å; I1673-I1713 HydrophobicContact CG2-CG1 3.64Å; I1673-L1719 HydrophobicContact CD1-CD1 4.38Å; I1673-L1719 HydrophobicContact CG1-CD1 4.27Å |
| 1674 | E | 52.4 | Low | 47.3 | Very low | 78.8 Ų | 78.8 | 69.3 Ų | 69.3 | 37% | 0.368 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.6 | -162.8 | -166 | 172.2 | 0 | 0 | 112.2 | M1585 E1670 C1671 N1672 I1676 C1677 K1678 | M1585-E1674 HydrophobicContact CB-CG 3.7Å; M1585-E1674 HydrophobicContact CE-CG 4.38Å; M1585-E1674 HydrophobicContact CG-CG 4.14Å; E1670-E1674 VanDerWaalsContact O-CB 3.25Å; E1670-E1674 WeakPolarHBondContact O-CB 3.33Å; E1670-E1674 PolarHBondContact O-N 3.08Å; E1670-E1674 VanDerWaalsContact O-N 3.11Å; C1671-E1674 PolarHBondContact O-N 3.16Å; N1672-E1674 VanDerWaalsContact C-N 3.31Å; N1672-E1674 PolarHBondContact O-N 3.2Å; E1674-I1676 VanDerWaalsContact C-N 3.28Å; E1674-I1676 PolarHBondContact O-N 2.73Å; E1674-C1677 PolarHBondContact O-N 3.11Å; E1674-K1678 VanDerWaalsContact CD-CE 3.48Å; E1674-K1678 HydrophobicContact CG-CD 4.28Å; E1674-K1678 HydrophobicContact CG-CG 4.35Å; E1674-K1678 WeakPolarHBondContact O-CB 3.33Å; E1674-K1678 VanDerWaalsContact O-CG 3.26Å; E1674-K1678 WeakPolarHBondContact O-CG 3.36Å; E1674-K1678 PolarHBondContact O-N 3.35Å; E1674-K1678 WeakPolarHBondContact OE1-CE 3.25Å; E1674-K1678 IonicContact OE1-NZ 3.01Å; E1674-K1678 PolarHBondContact OE1-NZ 3.16Å; E1674-K1678 IonicContact OE2-NZ 2.94Å; E1674-K1678 PolarHBondContact OE2-NZ 3.28Å |
| 1675 | H | 50.8 | Low | 48.4 | Very low | 76.8 Ų | 76.8 | 72.2 Ų | 72.2 | 36% | 0.356 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 177.4 | -75.9 | 89.6 | 0 | 0 | 0 | 112.1 | C1671 N1672 I1673 K1678 L1679 L1719 F2059 T2060 | C1671-H1675 WeakPolarHBondContact O-CB 3.45Å; C1671-H1675 PolarHBondContact O-N 3.28Å; C1671-H1675 PolarHBondContact O-ND1 3Å; N1672-H1675 HydrophobicContact CB-CB 4.45Å; N1672-H1675 WeakPolarHBondContact O-CA 3.31Å; N1672-H1675 WeakPolarHBondContact O-CB 3.47Å; N1672-H1675 PolarHBondContact O-N 3.1Å; N1672-H1675 VanDerWaalsContact O-N 3.16Å; N1672-H1675 PolarHBondContact OD1-ND1 2.9Å; I1673-H1675 VanDerWaalsContact C-N 3.33Å; I1673-H1675 PolarHBondContact O-N 3.28Å; H1675-K1678 PolarHBondContact NE2-NZ 2.99Å; H1675-K1678 CarbonylContact O-C 3.31Å; H1675-K1678 PolarHBondContact O-N 2.97Å; H1675-L1679 WeakPolarHBondContact O-CB 3.33Å; H1675-L1679 WeakPolarHBondContact O-CD1 2.72Å; H1675-L1679 PolarHBondContact O-N 3.06Å; H1675-L1719 HydrophobicContact CB-CD1 4.25Å; H1675-F2059 WeakPolarHBondContact CB-O 3.37Å; H1675-F2059 PolarHBondContact CD2-O 2.87Å; H1675-T2060 PolarHBondContact NE2-O 2.74Å |
| 1676 | I | 54.4 | Low | 49.2 | Very low | 34.4 Ų | 34.4 | 67.9 Ų | 67.9 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.1 | -69.4 | 161.8 | 0 | 0 | 0 | 111.1 | A1570 L1573 V1574 L1598 N1672 I1673 E1674 K1678 L1679 L1680 A1709 T1712 I1713 L1956 | A1570-I1676 HydrophobicContact CB-CG2 3.7Å; L1573-I1676 HydrophobicContact CD1-CD1 4.28Å; V1574-I1676 HydrophobicContact CG2-CB 4.36Å; V1574-I1676 HydrophobicContact CG2-CG2 3.7Å; L1598-I1676 HydrophobicContact CD2-CG2 4.39Å; N1672-I1676 HydrophobicContact CB-CD1 4.45Å; N1672-I1676 WeakPolarHBondContact O-CB 3.48Å; N1672-I1676 WeakPolarHBondContact O-CD1 3.4Å; N1672-I1676 VanDerWaalsContact O-CG1 3.31Å; N1672-I1676 WeakPolarHBondContact O-CG1 3.44Å; N1672-I1676 PolarHBondContact O-N 2.93Å; N1672-I1676 VanDerWaalsContact O-N 3.08Å; I1673-I1676 PolarHBondContact O-N 3.15Å; E1674-I1676 VanDerWaalsContact C-N 3.28Å; E1674-I1676 PolarHBondContact O-N 2.73Å; I1676-K1678 VanDerWaalsContact C-N 3.34Å; I1676-K1678 PolarHBondContact O-N 2.92Å; I1676-L1679 WeakPolarHBondContact O-CB 3.48Å; I1676-L1679 PolarHBondContact O-N 3.03Å; I1676-L1680 HydrophobicContact CG2-CD1 3.9Å; I1676-L1680 HydrophobicContact CG2-CG 4.45Å; I1676-L1680 WeakPolarHBondContact O-CB 3.23Å; I1676-L1680 VanDerWaalsContact O-CG 3.3Å; I1676-L1680 WeakPolarHBondContact O-CG 3.34Å; I1676-L1680 PolarHBondContact O-N 3.01Å; I1676-A1709 HydrophobicContact CG1-CB 4.36Å; I1676-A1709 HydrophobicContact CG2-CB 3.69Å; I1676-T1712 WeakPolarHBondContact CG1-OG1 3.25Å; I1676-I1713 HydrophobicContact CD1-CD1 4.06Å; I1676-I1713 HydrophobicContact CD1-CG1 3.66Å; I1676-I1713 VanDerWaalsContact CD1-CG1 3.44Å; I1676-L1956 HydrophobicContact CD1-CD2 3.92Å; I1676-L1956 HydrophobicContact CG1-CD2 4.24Å |
| 1677 | C | 53 | Low | 49.8 | Very low | 37 Ų | 37 | 64.2 Ų | 64.2 | 25% | 0.25 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.3 | -71.7 | 0 | 0 | 0 | 0 | 112.3 | F1589 I1673 E1674 L1679 L1680 L1681 A1709 | F1589-C1677 HydrophobicContact CD2-CB 3.7Å; F1589-C1677 HydrophobicContact CE2-CB 3.92Å; F1589-C1677 HydrophobicContact CG-CB 4.18Å; I1673-C1677 WeakPolarHBondContact O-CB 3.43Å; I1673-C1677 PolarHBondContact O-N 3.27Å; I1673-C1677 PolarHBondContact O-SG 3.07Å; I1673-C1677 VanDerWaalsContact O-SG 3.36Å; E1674-C1677 PolarHBondContact O-N 3.11Å; C1677-L1679 VanDerWaalsContact C-N 3.32Å; C1677-L1679 PolarHBondContact O-N 3.12Å; C1677-L1680 WeakPolarHBondContact O-CB 3.28Å; C1677-L1680 PolarHBondContact O-N 3.16Å; C1677-L1681 VanDerWaalsContact O-CB 3.23Å; C1677-L1681 WeakPolarHBondContact O-CB 3.33Å; C1677-L1681 PolarHBondContact O-N 3.32Å; C1677-A1709 WeakPolarHBondContact SG-CB 3.44Å |
| 1678 | K | 54.9 | Low | 50.2 | Low | 82.4 Ų | 82.4 | 63.3 Ų | 63.3 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 173.4 | -74.8 | 168.5 | -178.6 | 164.6 | 0 | 111.7 | M1585 E1674 H1675 I1676 L1680 L1681 H1682 F2059 | M1585-K1678 HydrophobicContact CE-CG 4.18Å; E1674-K1678 VanDerWaalsContact CD-CE 3.48Å; E1674-K1678 HydrophobicContact CG-CD 4.28Å; E1674-K1678 HydrophobicContact CG-CG 4.35Å; E1674-K1678 WeakPolarHBondContact O-CB 3.33Å; E1674-K1678 VanDerWaalsContact O-CG 3.26Å; E1674-K1678 WeakPolarHBondContact O-CG 3.36Å; E1674-K1678 PolarHBondContact O-N 3.35Å; E1674-K1678 WeakPolarHBondContact OE1-CE 3.25Å; E1674-K1678 IonicContact OE1-NZ 3.01Å; E1674-K1678 PolarHBondContact OE1-NZ 3.16Å; E1674-K1678 IonicContact OE2-NZ 2.94Å; E1674-K1678 PolarHBondContact OE2-NZ 3.28Å; H1675-K1678 PolarHBondContact NE2-NZ 2.99Å; H1675-K1678 CarbonylContact O-C 3.31Å; H1675-K1678 PolarHBondContact O-N 2.97Å; I1676-K1678 VanDerWaalsContact C-N 3.34Å; I1676-K1678 PolarHBondContact O-N 2.92Å; K1678-L1680 VanDerWaalsContact C-N 3.31Å; K1678-L1680 PolarHBondContact O-N 3.23Å; K1678-L1681 PolarHBondContact O-N 3.21Å; K1678-H1682 WeakPolarHBondContact O-CB 3.31Å; K1678-H1682 PolarHBondContact O-N 3.16Å; K1678-H1682 VanDerWaalsContact O-N 3.11Å; K1678-F2059 HydrophobicContact CB-CD1 3.58Å; K1678-F2059 HydrophobicContact CB-CE1 3.82Å; K1678-F2059 HydrophobicContact CD-CD1 3.98Å; K1678-F2059 HydrophobicContact CD-CE1 4.48Å; K1678-F2059 HydrophobicContact CG-CD1 4.29Å; K1678-F2059 HydrophobicContact CG-CE1 4.47Å |
| 1679 | L | 55.7 | Low | 50.4 | Low | 47.6 Ų | 47.6 | 62.1 Ų | 62.1 | 25% | 0.249 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -49 | 177.8 | -161.4 | 70.9 | 0 | 0 | 0 | 110.7 | A808 H1675 I1676 C1677 L1681 H1682 T1683 V1708 L1727 F1739 T1951 W1952 C1955 T2055 | A808-L1679 HydrophobicContact CB-CD1 4.41Å; H1675-L1679 WeakPolarHBondContact O-CB 3.33Å; H1675-L1679 WeakPolarHBondContact O-CD1 2.72Å; H1675-L1679 PolarHBondContact O-N 3.06Å; I1676-L1679 WeakPolarHBondContact O-CB 3.48Å; I1676-L1679 PolarHBondContact O-N 3.03Å; C1677-L1679 VanDerWaalsContact C-N 3.32Å; C1677-L1679 PolarHBondContact O-N 3.12Å; L1679-L1681 VanDerWaalsContact C-N 3.34Å; L1679-L1681 PolarHBondContact O-N 3.01Å; L1679-L1681 VanDerWaalsContact O-N 3.12Å; L1679-H1682 WeakPolarHBondContact O-CB 3.42Å; L1679-H1682 PolarHBondContact O-N 3.1Å; L1679-H1682 VanDerWaalsContact O-N 3.13Å; L1679-T1683 WeakPolarHBondContact O-CB 3.27Å; L1679-T1683 PolarHBondContact O-N 3.11Å; L1679-T1683 PolarHBondContact O-OG1 3.12Å; L1679-T1683 VanDerWaalsContact O-OG1 3.09Å; L1679-V1708 HydrophobicContact CD2-CG1 3.98Å; L1679-L1727 HydrophobicContact CD1-CD2 4.11Å; L1679-F1739 HydrophobicContact CD1-CZ 4.49Å; L1679-F1739 HydrophobicContact CD2-CZ 3.84Å; L1679-F1739 HydrophobicContact CG-CZ 4.15Å; L1679-T1951 HydrophobicContact CD1-CG2 4.39Å; L1679-W1952 HydrophobicContact CB-CH2 4.42Å; L1679-W1952 HydrophobicContact CD2-CD2 3.91Å; L1679-W1952 HydrophobicContact CD2-CE3 3.64Å; L1679-W1952 HydrophobicContact CD2-CH2 3.86Å; L1679-W1952 HydrophobicContact CD2-CZ2 4.12Å; L1679-W1952 HydrophobicContact CD2-CZ3 3.62Å; L1679-W1952 HydrophobicContact CG-CE3 4.38Å; L1679-W1952 HydrophobicContact CG-CH2 3.66Å; L1679-W1952 HydrophobicContact CG-CZ2 3.93Å; L1679-W1952 HydrophobicContact CG-CZ3 3.91Å; L1679-C1955 HydrophobicContact CD2-CB 3.76Å; L1679-T2055 HydrophobicContact CD1-CG2 3.41Å; L1679-T2055 VanDerWaalsContact CD1-CG2 3.41Å |
| 1680 | L | 56.1 | Low | 50.5 | Low | 25.8 Ų | 25.8 | 63 Ų | 63 | 14% | 0.135 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59 | -42.5 | 178.8 | -87.3 | 164.5 | 0 | 0 | 0 | 112.5 | I1567 A1570 N1571 V1574 F1594 I1676 C1677 K1678 H1682 T1683 Y1684 L1702 A1705 L1706 A1709 F1735 W1952 | I1567-L1680 HydrophobicContact CG2-CD2 4.37Å; A1570-L1680 HydrophobicContact CB-CD1 4.34Å; A1570-L1680 HydrophobicContact CB-CD2 4.46Å; N1571-L1680 WeakPolarHBondContact ND2-CD2 3.46Å; V1574-L1680 HydrophobicContact CG2-CD1 3.98Å; F1594-L1680 HydrophobicContact CD2-CD2 3.94Å; F1594-L1680 HydrophobicContact CE1-CB 3.87Å; F1594-L1680 HydrophobicContact CE2-CD2 3.69Å; F1594-L1680 HydrophobicContact CZ-CB 4.42Å; I1676-L1680 HydrophobicContact CG2-CD1 3.9Å; I1676-L1680 HydrophobicContact CG2-CG 4.45Å; I1676-L1680 WeakPolarHBondContact O-CB 3.23Å; I1676-L1680 VanDerWaalsContact O-CG 3.3Å; I1676-L1680 WeakPolarHBondContact O-CG 3.34Å; I1676-L1680 PolarHBondContact O-N 3.01Å; C1677-L1680 WeakPolarHBondContact O-CB 3.28Å; C1677-L1680 PolarHBondContact O-N 3.16Å; K1678-L1680 VanDerWaalsContact C-N 3.31Å; K1678-L1680 PolarHBondContact O-N 3.23Å; L1680-H1682 VanDerWaalsContact C-N 3.32Å; L1680-H1682 PolarHBondContact O-N 3.13Å; L1680-H1682 VanDerWaalsContact O-N 3.13Å; L1680-T1683 WeakPolarHBondContact CA-OG1 3.26Å; L1680-T1683 CarbonylContact O-C 3.6Å; L1680-T1683 PolarHBondContact O-N 3.14Å; L1680-T1683 PolarHBondContact O-OG1 3.13Å; L1680-Y1684 VanDerWaalsContact O-CB 3.29Å; L1680-Y1684 WeakPolarHBondContact O-CB 3.18Å; L1680-Y1684 PolarHBondContact O-N 3.26Å; L1680-L1702 HydrophobicContact CD2-CD1 3.84Å; L1680-L1702 HydrophobicContact CD2-CG 4.49Å; L1680-A1705 HydrophobicContact CD1-CB 4.15Å; L1680-A1705 HydrophobicContact CD2-CB 3.95Å; L1680-L1706 HydrophobicContact CB-CB 4.26Å; L1680-L1706 HydrophobicContact CB-CD1 3.98Å; L1680-L1706 HydrophobicContact CB-CG 4.11Å; L1680-L1706 HydrophobicContact CD1-CB 4.45Å; L1680-A1709 HydrophobicContact CD1-CB 4.45Å; L1680-F1735 HydrophobicContact CD2-CE1 4.06Å; L1680-F1735 HydrophobicContact CD2-CZ 4.15Å; L1680-W1952 HydrophobicContact CD2-CH2 3.73Å; L1680-W1952 HydrophobicContact CD2-CZ3 4.22Å; L1680-W1952 HydrophobicContact CG-CH2 4.03Å; L1680-W1952 HydrophobicContact CG-CZ3 4.33Å |
| 1681 | L | 55.9 | Low | 50.3 | Low | 69 Ų | 69 | 65.5 Ų | 65.5 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -31.3 | 178.5 | -173.5 | 64.6 | 0 | 0 | 0 | 112.9 | F1589 F1594 C1677 K1678 L1679 Y1684 K1685 L1706 | F1589-L1681 HydrophobicContact CE2-CB 4.44Å; F1594-L1681 HydrophobicContact CB-CD1 4.09Å; C1677-L1681 VanDerWaalsContact O-CB 3.23Å; C1677-L1681 WeakPolarHBondContact O-CB 3.33Å; C1677-L1681 PolarHBondContact O-N 3.32Å; K1678-L1681 PolarHBondContact O-N 3.21Å; L1679-L1681 VanDerWaalsContact C-N 3.34Å; L1679-L1681 PolarHBondContact O-N 3.01Å; L1679-L1681 VanDerWaalsContact O-N 3.12Å; L1681-Y1684 HydrophobicContact CD1-CD1 4.44Å; L1681-K1685 HydrophobicContact CG-CD 4.4Å; L1681-K1685 WeakPolarHBondContact O-CB 3.28Å; L1681-K1685 VanDerWaalsContact O-CG 3.24Å; L1681-K1685 WeakPolarHBondContact O-CG 3.41Å; L1681-K1685 PolarHBondContact O-N 3.19Å; L1681-K1685 VanDerWaalsContact O-N 3.12Å; L1681-L1706 HydrophobicContact CB-CD1 4.37Å; L1681-L1706 HydrophobicContact CD1-CD1 4.4Å |
| 1682 | H | 53.6 | Low | 50 | Low | 79.6 Ų | 79.6 | 66.9 Ų | 66.9 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -75.8 | -38.8 | 178 | -167.2 | -97.3 | 0 | 0 | 0 | 112.2 | N805 K1678 L1679 L1680 Y1684 K1685 L1686 Y2051 F2059 | N805-H1682 WeakPolarHBondContact CB-NE2 3.13Å; K1678-H1682 WeakPolarHBondContact O-CB 3.31Å; K1678-H1682 PolarHBondContact O-N 3.16Å; K1678-H1682 VanDerWaalsContact O-N 3.11Å; L1679-H1682 WeakPolarHBondContact O-CB 3.42Å; L1679-H1682 PolarHBondContact O-N 3.1Å; L1679-H1682 VanDerWaalsContact O-N 3.13Å; L1680-H1682 VanDerWaalsContact C-N 3.32Å; L1680-H1682 PolarHBondContact O-N 3.13Å; L1680-H1682 VanDerWaalsContact O-N 3.13Å; H1682-Y1684 VanDerWaalsContact C-N 3.31Å; H1682-Y1684 PolarHBondContact O-N 3Å; H1682-K1685 CarbonylContact O-C 3.57Å; H1682-K1685 PolarHBondContact O-N 3.03Å; H1682-K1685 VanDerWaalsContact O-N 3.1Å; H1682-L1686 VanDerWaalsContact CE1-CD1 3.42Å; H1682-L1686 WeakPolarHBondContact CE1-CD1 3.35Å; H1682-L1686 WeakPolarHBondContact ND1-CD1 3.4Å; H1682-L1686 VanDerWaalsContact O-CD1 3.25Å; H1682-L1686 WeakPolarHBondContact O-CD1 3.21Å; H1682-L1686 VanDerWaalsContact O-CG 3.29Å; H1682-L1686 WeakPolarHBondContact O-CG 3.36Å; H1682-L1686 PolarHBondContact O-N 3.06Å; H1682-L1686 VanDerWaalsContact O-N 3.12Å; H1682-Y2051 AromaticContact CE1-CE2 3.42Å; H1682-Y2051 VanDerWaalsContact CE1-CE2 3.42Å; H1682-Y2051 WeakPolarHBondContact CE1-CE2 3.47Å; H1682-Y2051 AromaticContact CE1-CZ 3.91Å; H1682-Y2051 AromaticContact ND1-CE2 3.93Å; H1682-Y2051 AromaticContact ND1-CZ 3.97Å; H1682-Y2051 PolarHBondContact ND1-OH 3.45Å; H1682-F2059 HydrophobicContact CB-CE2 4.45Å; H1682-F2059 HydrophobicContact CB-CZ 4.16Å; H1682-F2059 AromaticContact CE1-CE2 3.79Å; H1682-F2059 AromaticContact CG-CE2 3.99Å; H1682-F2059 AromaticContact CG-CZ 3.88Å; H1682-F2059 AromaticContact ND1-CE2 3.57Å; H1682-F2059 AromaticContact ND1-CZ 3.94Å |
| 1683 | T | 52 | Low | 49.4 | Very low | 22.2 Ų | 22.2 | 68 Ų | 68 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | 172.9 | -17.4 | 0 | 0 | 0 | 0 | 111.9 | L1679 L1680 K1685 L1686 T1687 L1702 L1703 A1705 W1952 | L1679-T1683 WeakPolarHBondContact O-CB 3.27Å; L1679-T1683 PolarHBondContact O-N 3.11Å; L1679-T1683 PolarHBondContact O-OG1 3.12Å; L1679-T1683 VanDerWaalsContact O-OG1 3.09Å; L1680-T1683 WeakPolarHBondContact CA-OG1 3.26Å; L1680-T1683 CarbonylContact O-C 3.6Å; L1680-T1683 PolarHBondContact O-N 3.14Å; L1680-T1683 PolarHBondContact O-OG1 3.13Å; T1683-K1685 VanDerWaalsContact C-N 3.3Å; T1683-K1685 PolarHBondContact O-N 2.86Å; T1683-L1686 WeakPolarHBondContact O-CB 3.26Å; T1683-L1686 PolarHBondContact O-N 2.99Å; T1683-L1686 VanDerWaalsContact O-N 3.15Å; T1683-T1687 HydrophobicContact CG2-CG2 4.4Å; T1683-T1687 WeakPolarHBondContact O-CB 3.27Å; T1683-T1687 VanDerWaalsContact O-CG2 3.26Å; T1683-T1687 WeakPolarHBondContact O-CG2 3.3Å; T1683-T1687 PolarHBondContact O-N 3.21Å; T1683-T1687 VanDerWaalsContact O-N 3.08Å; T1683-T1687 PolarHBondContact O-OG1 3.1Å; T1683-T1687 VanDerWaalsContact O-OG1 3.06Å; T1683-L1702 HydrophobicContact CG2-CD1 3.72Å; T1683-L1702 HydrophobicContact CG2-CD2 3.83Å; T1683-L1702 HydrophobicContact CG2-CG 4.47Å; T1683-L1703 HydrophobicContact CG2-CD2 3.87Å; T1683-A1705 HydrophobicContact CG2-CB 4.12Å; T1683-A1705 VanDerWaalsContact OG1-CB 3.26Å; T1683-A1705 WeakPolarHBondContact OG1-CB 3.21Å; T1683-W1952 HydrophobicContact CG2-CZ2 4.48Å |
| 1684 | Y | 53.1 | Low | 48.7 | Very low | 79.8 Ų | 79.8 | 70.1 Ų | 70.1 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 171.7 | -179.4 | -98.2 | 0 | 0 | 0 | 111.6 | L1575 F1594 L1597 L1680 L1681 H1682 L1686 T1687 S1688 Y1699 L1702 L1703 R1746 | L1575-Y1684 HydrophobicContact CD1-CD2 4.35Å; L1575-Y1684 HydrophobicContact CD1-CE2 4.26Å; F1594-Y1684 HydrophobicContact CB-CD1 3.73Å; F1594-Y1684 HydrophobicContact CB-CD2 4.34Å; F1594-Y1684 HydrophobicContact CB-CE1 4.06Å; F1594-Y1684 HydrophobicContact CB-CG 3.86Å; F1594-Y1684 HydrophobicContact CD2-CD1 4.29Å; F1594-Y1684 AromaticContact CD2-CD2 3.39Å; F1594-Y1684 HydrophobicContact CD2-CD2 3.39Å; F1594-Y1684 AromaticContact CD2-CE2 3.98Å; F1594-Y1684 HydrophobicContact CD2-CE2 3.98Å; F1594-Y1684 AromaticContact CD2-CG 3.55Å; F1594-Y1684 HydrophobicContact CD2-CG 3.55Å; F1594-Y1684 HydrophobicContact CE2-CD2 4.08Å; F1594-Y1684 HydrophobicContact CE2-CG 4.39Å; F1594-Y1684 HydrophobicContact CG-CD1 4.3Å; F1594-Y1684 HydrophobicContact CG-CD2 4.19Å; F1594-Y1684 AromaticContact CG-CG 3.91Å; F1594-Y1684 HydrophobicContact CG-CG 3.91Å; L1597-Y1684 HydrophobicContact CD2-CE2 4.05Å; L1680-Y1684 VanDerWaalsContact O-CB 3.29Å; L1680-Y1684 WeakPolarHBondContact O-CB 3.18Å; L1680-Y1684 PolarHBondContact O-N 3.26Å; L1681-Y1684 HydrophobicContact CD1-CD1 4.44Å; H1682-Y1684 VanDerWaalsContact C-N 3.31Å; H1682-Y1684 PolarHBondContact O-N 3Å; Y1684-L1686 VanDerWaalsContact C-N 3.3Å; Y1684-L1686 PolarHBondContact O-N 2.8Å; Y1684-T1687 VanDerWaalsContact CA-OG1 3.31Å; Y1684-T1687 WeakPolarHBondContact CA-OG1 3.2Å; Y1684-T1687 PolarHBondContact O-N 2.99Å; Y1684-T1687 PolarHBondContact O-OG1 3.06Å; Y1684-S1688 VanDerWaalsContact O-CB 3.26Å; Y1684-S1688 WeakPolarHBondContact O-CB 3.36Å; Y1684-S1688 PolarHBondContact O-N 2.99Å; Y1684-S1688 PolarHBondContact O-OG 3.09Å; Y1684-S1688 VanDerWaalsContact O-OG 3.1Å; Y1684-Y1699 HydrophobicContact CE2-CE2 4.18Å; Y1684-L1702 HydrophobicContact CD2-CD1 3.97Å; Y1684-L1702 HydrophobicContact CD2-CD2 4.06Å; Y1684-L1702 HydrophobicContact CE2-CD2 4.49Å; Y1684-L1702 HydrophobicContact CG-CD2 4.5Å; Y1684-L1703 HydrophobicContact CD2-CD1 4.14Å; Y1684-L1703 HydrophobicContact CE2-CD1 3.93Å; Y1684-R1746 PolarHBondContact OH-NH2 3.08Å |
| 1685 | K | 53.6 | Low | 48 | Very low | 122.6 Ų | 122.6 | 68.8 Ų | 68.8 | 53% | 0.533 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65 | -32.3 | 174.4 | -75.1 | 177.4 | 177.8 | -178.7 | 0 | 113.3 | L1681 H1682 T1683 S1688 S1689 | L1681-K1685 HydrophobicContact CG-CD 4.4Å; L1681-K1685 WeakPolarHBondContact O-CB 3.28Å; L1681-K1685 VanDerWaalsContact O-CG 3.24Å; L1681-K1685 WeakPolarHBondContact O-CG 3.41Å; L1681-K1685 PolarHBondContact O-N 3.19Å; L1681-K1685 VanDerWaalsContact O-N 3.12Å; H1682-K1685 CarbonylContact O-C 3.57Å; H1682-K1685 PolarHBondContact O-N 3.03Å; H1682-K1685 VanDerWaalsContact O-N 3.1Å; T1683-K1685 VanDerWaalsContact C-N 3.3Å; T1683-K1685 PolarHBondContact O-N 2.86Å; K1685-S1688 WeakPolarHBondContact CA-OG 3.43Å; K1685-S1688 PolarHBondContact O-N 3.29Å; K1685-S1688 PolarHBondContact O-OG 3.14Å; K1685-S1688 VanDerWaalsContact O-OG 3.12Å; K1685-S1689 WeakPolarHBondContact O-CB 3.35Å; K1685-S1689 PolarHBondContact O-N 3.39Å; K1685-S1689 PolarHBondContact O-OG 2.95Å |
| 1686 | L | 49.3 | Very low | 47.3 | Very low | 56.6 Ų | 56.6 | 66.7 Ų | 66.7 | 30% | 0.296 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.8 | -46 | 175.3 | -84.3 | 131 | 0 | 0 | 0 | 111.7 | H1682 T1683 Y1684 S1688 S1689 T1690 L1701 R1746 Y2051 | H1682-L1686 VanDerWaalsContact CE1-CD1 3.42Å; H1682-L1686 WeakPolarHBondContact CE1-CD1 3.35Å; H1682-L1686 WeakPolarHBondContact ND1-CD1 3.4Å; H1682-L1686 VanDerWaalsContact O-CD1 3.25Å; H1682-L1686 WeakPolarHBondContact O-CD1 3.21Å; H1682-L1686 VanDerWaalsContact O-CG 3.29Å; H1682-L1686 WeakPolarHBondContact O-CG 3.36Å; H1682-L1686 PolarHBondContact O-N 3.06Å; H1682-L1686 VanDerWaalsContact O-N 3.12Å; T1683-L1686 WeakPolarHBondContact O-CB 3.26Å; T1683-L1686 PolarHBondContact O-N 2.99Å; T1683-L1686 VanDerWaalsContact O-N 3.15Å; Y1684-L1686 VanDerWaalsContact C-N 3.3Å; Y1684-L1686 PolarHBondContact O-N 2.8Å; L1686-S1688 VanDerWaalsContact C-N 3.31Å; L1686-S1688 PolarHBondContact O-N 3.09Å; L1686-S1688 VanDerWaalsContact O-N 3.1Å; L1686-S1689 CarbonylContact O-C 3.33Å; L1686-S1689 WeakPolarHBondContact O-CB 3.34Å; L1686-S1689 PolarHBondContact O-N 3.01Å; L1686-S1689 VanDerWaalsContact O-N 3.1Å; L1686-S1689 PolarHBondContact O-OG 2.91Å; L1686-T1690 HydrophobicContact CD2-CG2 4.4Å; L1686-T1690 WeakPolarHBondContact O-CB 3.3Å; L1686-T1690 WeakPolarHBondContact O-CG2 3.36Å; L1686-T1690 PolarHBondContact O-N 2.8Å; L1686-T1690 PolarHBondContact O-OG1 3.18Å; L1686-L1701 HydrophobicContact CB-CD2 4.48Å; L1686-L1701 HydrophobicContact CD2-CD2 4.31Å; L1686-R1746 VanDerWaalsContact CD2-NH2 3.28Å; L1686-Y2051 HydrophobicContact CD1-CE2 3.36Å; L1686-Y2051 VanDerWaalsContact CD1-CZ 3.48Å; L1686-Y2051 WeakPolarHBondContact CD1-OH 3.49Å; L1686-Y2051 HydrophobicContact CD2-CE2 4.31Å; L1686-Y2051 HydrophobicContact CG-CE2 4.48Å |
| 1687 | T | 47.8 | Very low | 46.6 | Very low | 32.2 Ų | 32.2 | 66.5 Ų | 66.5 | 20% | 0.198 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.3 | -32.6 | 178.4 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | T1683 Y1684 S1689 T1690 L1695 D1698 L1701 L1702 | T1683-T1687 HydrophobicContact CG2-CG2 4.4Å; T1683-T1687 WeakPolarHBondContact O-CB 3.27Å; T1683-T1687 VanDerWaalsContact O-CG2 3.26Å; T1683-T1687 WeakPolarHBondContact O-CG2 3.3Å; T1683-T1687 PolarHBondContact O-N 3.21Å; T1683-T1687 VanDerWaalsContact O-N 3.08Å; T1683-T1687 PolarHBondContact O-OG1 3.1Å; T1683-T1687 VanDerWaalsContact O-OG1 3.06Å; Y1684-T1687 VanDerWaalsContact CA-OG1 3.31Å; Y1684-T1687 WeakPolarHBondContact CA-OG1 3.2Å; Y1684-T1687 PolarHBondContact O-N 2.99Å; Y1684-T1687 PolarHBondContact O-OG1 3.06Å; T1687-S1689 VanDerWaalsContact C-N 3.34Å; T1687-S1689 PolarHBondContact O-N 3.17Å; T1687-S1689 VanDerWaalsContact O-N 3.13Å; T1687-T1690 PolarHBondContact O-N 2.85Å; T1687-T1690 PolarHBondContact O-OG1 3.02Å; T1687-L1695 HydrophobicContact CG2-CD2 4.39Å; T1687-L1695 WeakPolarHBondContact CG2-O 3.44Å; T1687-D1698 VanDerWaalsContact CB-OD1 3.3Å; T1687-D1698 WeakPolarHBondContact CB-OD1 3.27Å; T1687-D1698 VanDerWaalsContact CG2-C 3.47Å; T1687-D1698 HydrophobicContact CG2-CB 3.52Å; T1687-L1701 HydrophobicContact CG2-CB 3.4Å; T1687-L1701 VanDerWaalsContact CG2-CB 3.47Å; T1687-L1701 HydrophobicContact CG2-CD1 3.56Å; T1687-L1701 HydrophobicContact CG2-CG 4.07Å; T1687-L1702 HydrophobicContact CG2-CB 3.88Å |
| 1688 | S | 48.5 | Very low | 46 | Very low | 75.8 Ų | 75.8 | 68.8 Ų | 68.8 | 53% | 0.53 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -3 | 176 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | Y1684 K1685 L1686 | Y1684-S1688 VanDerWaalsContact O-CB 3.26Å; Y1684-S1688 WeakPolarHBondContact O-CB 3.36Å; Y1684-S1688 PolarHBondContact O-N 2.99Å; Y1684-S1688 PolarHBondContact O-OG 3.09Å; Y1684-S1688 VanDerWaalsContact O-OG 3.1Å; K1685-S1688 WeakPolarHBondContact CA-OG 3.43Å; K1685-S1688 PolarHBondContact O-N 3.29Å; K1685-S1688 PolarHBondContact O-OG 3.14Å; K1685-S1688 VanDerWaalsContact O-OG 3.12Å; L1686-S1688 VanDerWaalsContact C-N 3.31Å; L1686-S1688 PolarHBondContact O-N 3.09Å; L1686-S1688 VanDerWaalsContact O-N 3.1Å |
| 1689 | S | 44.6 | Very low | 45.7 | Very low | 81.2 Ų | 81.2 | 68.8 Ų | 68.8 | 57% | 0.568 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | -0.2 | -176.7 | 68.3 | 0 | 0 | 0 | 0 | 115.4 | K1685 L1686 T1687 | K1685-S1689 WeakPolarHBondContact O-CB 3.35Å; K1685-S1689 PolarHBondContact O-N 3.39Å; K1685-S1689 PolarHBondContact O-OG 2.95Å; L1686-S1689 CarbonylContact O-C 3.33Å; L1686-S1689 WeakPolarHBondContact O-CB 3.34Å; L1686-S1689 PolarHBondContact O-N 3.01Å; L1686-S1689 VanDerWaalsContact O-N 3.1Å; L1686-S1689 PolarHBondContact O-OG 2.91Å; T1687-S1689 VanDerWaalsContact C-N 3.34Å; T1687-S1689 PolarHBondContact O-N 3.17Å; T1687-S1689 VanDerWaalsContact O-N 3.13Å |
| 1690 | T | 40.6 | Very low | 45.3 | Very low | 56.8 Ų | 56.8 | 70.4 Ų | 70.4 | 35% | 0.348 | 39% | 0.388 | S | S | . | . | trans | -116.9 | 112.9 | -175.2 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | L1686 T1687 H1692 L1695 | L1686-T1690 HydrophobicContact CD2-CG2 4.4Å; L1686-T1690 WeakPolarHBondContact O-CB 3.3Å; L1686-T1690 WeakPolarHBondContact O-CG2 3.36Å; L1686-T1690 PolarHBondContact O-N 2.8Å; L1686-T1690 PolarHBondContact O-OG1 3.18Å; T1687-T1690 PolarHBondContact O-N 2.85Å; T1687-T1690 PolarHBondContact O-OG1 3.02Å; T1690-H1692 PolarHBondContact O-N 3.11Å; T1690-H1692 VanDerWaalsContact O-N 3.13Å; T1690-L1695 WeakPolarHBondContact OG1-CB 3.27Å; T1690-L1695 WeakPolarHBondContact OG1-CD1 3.33Å | ||
| 1691 | N | 36.9 | Very low | 44.9 | Very low | 150.6 Ų | 150.6 | 71.6 Ų | 71.6 | 81% | 0.805 | 40% | 0.395 | S | S | * | . | trans | -77.6 | 27.7 | 178.7 | -63.5 | 4.4 | 0 | 0 | 0 | 114.2 | P1693 L1978 | N1691-P1693 WeakPolarHBondContact O-CD 3.27Å; N1691-L1978 CarbonylContact C-O 3.6Å; N1691-L1978 VanDerWaalsContact C-O 3.31Å; N1691-L1978 WeakPolarHBondContact CA-O 3.4Å | ||
| 1692 | H | 36.9 | Very low | 44.8 | Very low | 91.2 Ų | 91.2 | 70 Ų | 70 | 42% | 0.422 | 39% | 0.386 | S | S | . | . | trans | -98 | 121.2 | -172.5 | -171 | -95.7 | 0 | 0 | 0 | 111.3 | T1690 V1694 L1695 G1696 | T1690-H1692 PolarHBondContact O-N 3.11Å; T1690-H1692 VanDerWaalsContact O-N 3.13Å; H1692-V1694 VanDerWaalsContact C-N 3.3Å; H1692-V1694 PolarHBondContact ND1-N 3.43Å; H1692-V1694 PolarHBondContact O-N 3.01Å; H1692-L1695 HydrophobicContact CB-CB 4.28Å; H1692-L1695 HydrophobicContact CB-CD1 4.14Å; H1692-L1695 HydrophobicContact CB-CG 4.36Å; H1692-L1695 WeakPolarHBondContact ND1-CG 3.44Å; H1692-L1695 CarbonylContact O-C 3.45Å; H1692-L1695 WeakPolarHBondContact O-CA 2.8Å; H1692-L1695 WeakPolarHBondContact O-CB 3.19Å; H1692-L1695 PolarHBondContact O-N 3.25Å; H1692-G1696 PolarHBondContact O-N 2.87Å | ||
| 1693 | P | 35.4 | Very low | 44.8 | Very low | 88.4 Ų | 88.4 | 68.8 Ų | 68.8 | 57% | 0.574 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21.1 | -166.2 | 23.4 | -33.6 | 0 | 0 | 0 | 115 | N1691 L1695 G1696 H1926 F1930 V1976 L1978 | N1691-P1693 WeakPolarHBondContact O-CD 3.27Å; P1693-L1695 VanDerWaalsContact C-N 3.34Å; P1693-L1695 PolarHBondContact O-N 2.86Å; P1693-G1696 PolarHBondContact O-N 3.2Å; P1693-H1926 WeakPolarHBondContact CG-ND1 3.25Å; P1693-F1930 HydrophobicContact CB-CB 4.13Å; P1693-F1930 HydrophobicContact CB-CD2 3.71Å; P1693-F1930 HydrophobicContact CB-CG 4.25Å; P1693-V1976 HydrophobicContact CB-CG1 4.48Å; P1693-L1978 HydrophobicContact CB-CD1 4.35Å; P1693-L1978 WeakPolarHBondContact O-CD1 3.23Å |
| 1694 | V | 37.9 | Very low | 44.8 | Very low | 84.2 Ų | 84.2 | 70.2 Ų | 70.2 | 51% | 0.51 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -19 | 177 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | H1692 G1696 F1933 I1944 I2044 | H1692-V1694 VanDerWaalsContact C-N 3.3Å; H1692-V1694 PolarHBondContact ND1-N 3.43Å; H1692-V1694 PolarHBondContact O-N 3.01Å; V1694-G1696 PolarHBondContact O-N 3.47Å; V1694-F1933 HydrophobicContact CG2-CD2 4Å; V1694-F1933 HydrophobicContact CG2-CE2 3.75Å; V1694-F1933 HydrophobicContact CG2-CZ 4.36Å; V1694-I1944 HydrophobicContact CG1-CD1 4.24Å; V1694-I1944 HydrophobicContact CG1-CG2 4.17Å; V1694-I2044 HydrophobicContact CG1-CG2 4.47Å; V1694-I2044 HydrophobicContact CG2-CG2 4.08Å |
| 1695 | L | 37.4 | Very low | 44.9 | Very low | 50.8 Ų | 50.8 | 67.3 Ų | 67.3 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -100.9 | -18.5 | -175.9 | -68.6 | 168.6 | 0 | 0 | 0 | 113.6 | T1687 T1690 H1692 P1693 G1697 D1698 Y1699 L1701 F1739 | T1687-L1695 HydrophobicContact CG2-CD2 4.39Å; T1687-L1695 WeakPolarHBondContact CG2-O 3.44Å; T1690-L1695 WeakPolarHBondContact OG1-CB 3.27Å; T1690-L1695 WeakPolarHBondContact OG1-CD1 3.33Å; H1692-L1695 HydrophobicContact CB-CB 4.28Å; H1692-L1695 HydrophobicContact CB-CD1 4.14Å; H1692-L1695 HydrophobicContact CB-CG 4.36Å; H1692-L1695 WeakPolarHBondContact ND1-CG 3.44Å; H1692-L1695 CarbonylContact O-C 3.45Å; H1692-L1695 WeakPolarHBondContact O-CA 2.8Å; H1692-L1695 WeakPolarHBondContact O-CB 3.19Å; H1692-L1695 PolarHBondContact O-N 3.25Å; P1693-L1695 VanDerWaalsContact C-N 3.34Å; P1693-L1695 PolarHBondContact O-N 2.86Å; L1695-G1697 PolarHBondContact O-N 3.17Å; L1695-D1698 HydrophobicContact CD2-CB 4.33Å; L1695-D1698 PolarHBondContact O-N 2.92Å; L1695-Y1699 HydrophobicContact CD2-CE2 4.22Å; L1695-Y1699 VanDerWaalsContact O-CB 3.26Å; L1695-Y1699 WeakPolarHBondContact O-CB 3.31Å; L1695-Y1699 WeakPolarHBondContact O-CD2 3.31Å; L1695-Y1699 PolarHBondContact O-N 3.36Å; L1695-L1701 HydrophobicContact CD2-CD1 4.39Å; L1695-F1739 HydrophobicContact CD2-CD1 4.27Å; L1695-F1739 HydrophobicContact CD2-CE1 3.81Å; L1695-F1739 HydrophobicContact CD2-CZ 4.18Å |
| 1696 | G | 36.3 | Very low | 45 | Very low | 32 Ų | 32 | 63.3 Ų | 63.3 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71.4 | -13.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | H1692 P1693 V1694 D1698 Y1699 F1700 | H1692-G1696 PolarHBondContact O-N 2.87Å; P1693-G1696 PolarHBondContact O-N 3.2Å; V1694-G1696 PolarHBondContact O-N 3.47Å; G1696-D1698 VanDerWaalsContact C-N 3.25Å; G1696-D1698 PolarHBondContact O-N 2.82Å; G1696-D1698 VanDerWaalsContact O-N 3.12Å; G1696-Y1699 WeakPolarHBondContact O-CB 3.35Å; G1696-Y1699 PolarHBondContact O-N 2.99Å; G1696-F1700 PolarHBondContact O-N 3Å |
| 1697 | G | 38.9 | Very low | 45.2 | Very low | 30.8 Ų | 30.8 | 63.3 Ų | 63.3 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -10.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1695 Y1699 F1700 L1701 R1746 | L1695-G1697 PolarHBondContact O-N 3.17Å; G1697-Y1699 VanDerWaalsContact C-N 3.27Å; G1697-Y1699 WeakPolarHBondContact O-CB 3.27Å; G1697-Y1699 PolarHBondContact O-N 3.17Å; G1697-Y1699 VanDerWaalsContact O-N 3.11Å; G1697-F1700 PolarHBondContact O-N 3.09Å; G1697-L1701 PolarHBondContact O-N 3.3Å; G1697-L1701 VanDerWaalsContact O-N 3.1Å; G1697-R1746 PolarHBondContact O-NH2 3.02Å; G1697-R1746 VanDerWaalsContact O-NH2 3.09Å |
| 1698 | D | 41.6 | Very low | 45.6 | Very low | 86.2 Ų | 86.2 | 62.7 Ų | 62.7 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -45 | -27.1 | -178.7 | -65.3 | -27.1 | 0 | 0 | 0 | 114.1 | T1687 L1695 G1696 F1700 L1701 L1702 | T1687-D1698 VanDerWaalsContact CB-OD1 3.3Å; T1687-D1698 WeakPolarHBondContact CB-OD1 3.27Å; T1687-D1698 VanDerWaalsContact CG2-C 3.47Å; T1687-D1698 HydrophobicContact CG2-CB 3.52Å; L1695-D1698 HydrophobicContact CD2-CB 4.33Å; L1695-D1698 PolarHBondContact O-N 2.92Å; G1696-D1698 VanDerWaalsContact C-N 3.25Å; G1696-D1698 PolarHBondContact O-N 2.82Å; G1696-D1698 VanDerWaalsContact O-N 3.12Å; D1698-F1700 VanDerWaalsContact C-N 3.3Å; D1698-F1700 PolarHBondContact O-N 3.12Å; D1698-L1701 HydrophobicContact CB-CB 4.39Å; D1698-L1701 HydrophobicContact CB-CD2 4.39Å; D1698-L1701 WeakPolarHBondContact O-CB 3.39Å; D1698-L1701 PolarHBondContact O-N 2.95Å; D1698-L1701 VanDerWaalsContact O-N 3.1Å; D1698-L1702 VanDerWaalsContact O-CB 3.25Å; D1698-L1702 WeakPolarHBondContact O-CB 3.4Å; D1698-L1702 PolarHBondContact O-N 3.02Å |
| 1699 | Y | 47.2 | Very low | 45.9 | Very low | 81.6 Ų | 81.6 | 59.7 Ų | 59.7 | 32% | 0.32 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -73.2 | -37.4 | -177.6 | -109.7 | -85.2 | 0 | 0 | 0 | 112.5 | T1568 Y1684 L1695 G1696 G1697 L1701 L1702 L1703 C1955 | T1568-Y1699 WeakPolarHBondContact CG2-OH 3.36Å; Y1684-Y1699 HydrophobicContact CE2-CE2 4.18Å; L1695-Y1699 HydrophobicContact CD2-CE2 4.22Å; L1695-Y1699 VanDerWaalsContact O-CB 3.26Å; L1695-Y1699 WeakPolarHBondContact O-CB 3.31Å; L1695-Y1699 WeakPolarHBondContact O-CD2 3.31Å; L1695-Y1699 PolarHBondContact O-N 3.36Å; G1696-Y1699 WeakPolarHBondContact O-CB 3.35Å; G1696-Y1699 PolarHBondContact O-N 2.99Å; G1697-Y1699 VanDerWaalsContact C-N 3.27Å; G1697-Y1699 WeakPolarHBondContact O-CB 3.27Å; G1697-Y1699 PolarHBondContact O-N 3.17Å; G1697-Y1699 VanDerWaalsContact O-N 3.11Å; Y1699-L1701 VanDerWaalsContact C-N 3.29Å; Y1699-L1701 PolarHBondContact O-N 2.95Å; Y1699-L1702 CarbonylContact O-C 3.2Å; Y1699-L1702 PolarHBondContact O-N 2.98Å; Y1699-L1702 VanDerWaalsContact O-O 3.05Å; Y1699-L1703 HydrophobicContact CD1-CD1 3.87Å; Y1699-L1703 HydrophobicContact CE1-CD1 3.76Å; Y1699-L1703 HydrophobicContact CE1-CD2 4.43Å; Y1699-L1703 VanDerWaalsContact O-CB 3.26Å; Y1699-L1703 WeakPolarHBondContact O-CB 3.41Å; Y1699-L1703 WeakPolarHBondContact O-CD1 3.17Å; Y1699-L1703 PolarHBondContact O-N 3.02Å; Y1699-L1703 VanDerWaalsContact O-N 3.09Å; Y1699-C1955 HydrophobicContact CD2-CB 4.33Å; Y1699-C1955 HydrophobicContact CE2-CB 4.28Å |
| 1700 | F | 47.1 | Very low | 46.4 | Very low | 80.2 Ų | 80.2 | 58.9 Ų | 58.9 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.4 | -39.8 | -177.6 | -152.8 | -83.7 | 0 | 0 | 0 | 112.5 | K1403 G1696 G1697 D1698 L1702 L1703 H1704 G1742 A1946 C1949 | K1403-F1700 HydrophobicContact CB-CD1 4.07Å; K1403-F1700 HydrophobicContact CB-CE1 4.31Å; K1403-F1700 HydrophobicContact CD-CB 3.95Å; K1403-F1700 HydrophobicContact CD-CD1 3.91Å; K1403-F1700 HydrophobicContact CD-CG 4.29Å; K1403-F1700 PolarHBondContact NZ-O 3.06Å; G1696-F1700 PolarHBondContact O-N 3Å; G1697-F1700 PolarHBondContact O-N 3.09Å; D1698-F1700 VanDerWaalsContact C-N 3.3Å; D1698-F1700 PolarHBondContact O-N 3.12Å; F1700-L1702 VanDerWaalsContact C-N 3.29Å; F1700-L1702 PolarHBondContact O-N 3.08Å; F1700-L1703 CarbonylContact O-C 3.38Å; F1700-L1703 WeakPolarHBondContact O-CA 3.24Å; F1700-L1703 VanDerWaalsContact O-CB 3.22Å; F1700-L1703 WeakPolarHBondContact O-CB 3.11Å; F1700-L1703 PolarHBondContact O-N 3.06Å; F1700-H1704 VanDerWaalsContact O-CB 3.27Å; F1700-H1704 WeakPolarHBondContact O-CB 3.31Å; F1700-H1704 PolarHBondContact O-N 3.23Å; F1700-G1742 VanDerWaalsContact CE2-CA 3.5Å; F1700-G1742 WeakPolarHBondContact CE2-O 3.46Å; F1700-G1742 VanDerWaalsContact CZ-C 3.45Å; F1700-A1946 HydrophobicContact CE2-CB 4.17Å; F1700-C1949 WeakPolarHBondContact CE1-SG 3.08Å; F1700-C1949 HydrophobicContact CZ-CB 4.01Å; F1700-C1949 WeakPolarHBondContact CZ-SG 3.48Å |
| 1701 | L | 49.1 | Very low | 47 | Very low | 52.8 Ų | 52.8 | 58.6 Ų | 58.6 | 28% | 0.276 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 176.2 | -106 | 145 | 0 | 0 | 0 | 111.6 | N1564 I1567 L1686 T1687 L1695 G1697 D1698 Y1699 L1703 H1704 A1705 | N1564-L1701 HydrophobicContact CB-CD1 3.67Å; N1564-L1701 WeakPolarHBondContact OD1-CD1 3.39Å; I1567-L1701 HydrophobicContact CD1-CD2 3.73Å; I1567-L1701 HydrophobicContact CD1-CG 4Å; L1686-L1701 HydrophobicContact CB-CD2 4.48Å; L1686-L1701 HydrophobicContact CD2-CD2 4.31Å; T1687-L1701 HydrophobicContact CG2-CB 3.4Å; T1687-L1701 VanDerWaalsContact CG2-CB 3.47Å; T1687-L1701 HydrophobicContact CG2-CD1 3.56Å; T1687-L1701 HydrophobicContact CG2-CG 4.07Å; L1695-L1701 HydrophobicContact CD2-CD1 4.39Å; G1697-L1701 PolarHBondContact O-N 3.3Å; G1697-L1701 VanDerWaalsContact O-N 3.1Å; D1698-L1701 HydrophobicContact CB-CB 4.39Å; D1698-L1701 HydrophobicContact CB-CD2 4.39Å; D1698-L1701 WeakPolarHBondContact O-CB 3.39Å; D1698-L1701 PolarHBondContact O-N 2.95Å; D1698-L1701 VanDerWaalsContact O-N 3.1Å; Y1699-L1701 VanDerWaalsContact C-N 3.29Å; Y1699-L1701 PolarHBondContact O-N 2.95Å; L1701-L1703 VanDerWaalsContact C-N 3.33Å; L1701-L1703 PolarHBondContact O-N 3.33Å; L1701-L1703 VanDerWaalsContact O-N 3.13Å; L1701-H1704 WeakPolarHBondContact O-CB 3.36Å; L1701-H1704 PolarHBondContact O-N 3.28Å; L1701-H1704 VanDerWaalsContact O-N 3.13Å; L1701-A1705 VanDerWaalsContact O-CB 3.31Å; L1701-A1705 WeakPolarHBondContact O-CB 3.31Å; L1701-A1705 PolarHBondContact O-N 3.4Å |
| 1702 | L | 52.5 | Low | 47.9 | Very low | 35.4 Ų | 35.4 | 52.6 Ų | 52.6 | 19% | 0.185 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.8 | -28.9 | 173.6 | -170.2 | 70.1 | 0 | 0 | 0 | 111.6 | I1567 F1594 L1680 T1683 Y1684 T1687 D1698 Y1699 F1700 H1704 A1705 L1706 L1738 | I1567-L1702 HydrophobicContact CG2-CD1 3.84Å; F1594-L1702 HydrophobicContact CE2-CD1 4.31Å; F1594-L1702 HydrophobicContact CE2-CD2 4.01Å; F1594-L1702 HydrophobicContact CE2-CG 4.23Å; F1594-L1702 HydrophobicContact CZ-CD1 4.16Å; L1680-L1702 HydrophobicContact CD2-CD1 3.84Å; L1680-L1702 HydrophobicContact CD2-CG 4.49Å; T1683-L1702 HydrophobicContact CG2-CD1 3.72Å; T1683-L1702 HydrophobicContact CG2-CD2 3.83Å; T1683-L1702 HydrophobicContact CG2-CG 4.47Å; Y1684-L1702 HydrophobicContact CD2-CD1 3.97Å; Y1684-L1702 HydrophobicContact CD2-CD2 4.06Å; Y1684-L1702 HydrophobicContact CE2-CD2 4.49Å; Y1684-L1702 HydrophobicContact CG-CD2 4.5Å; T1687-L1702 HydrophobicContact CG2-CB 3.88Å; D1698-L1702 VanDerWaalsContact O-CB 3.25Å; D1698-L1702 WeakPolarHBondContact O-CB 3.4Å; D1698-L1702 PolarHBondContact O-N 3.02Å; Y1699-L1702 CarbonylContact O-C 3.2Å; Y1699-L1702 PolarHBondContact O-N 2.98Å; Y1699-L1702 VanDerWaalsContact O-O 3.05Å; F1700-L1702 VanDerWaalsContact C-N 3.29Å; F1700-L1702 PolarHBondContact O-N 3.08Å; L1702-H1704 VanDerWaalsContact C-N 3.31Å; L1702-H1704 PolarHBondContact O-N 3.12Å; L1702-A1705 PolarHBondContact O-N 3.18Å; L1702-L1706 HydrophobicContact CD1-CD1 4.48Å; L1702-L1706 HydrophobicContact CG-CD1 4.22Å; L1702-L1706 VanDerWaalsContact O-CB 3.27Å; L1702-L1706 WeakPolarHBondContact O-CB 3.33Å; L1702-L1706 WeakPolarHBondContact O-CG 3.37Å; L1702-L1706 PolarHBondContact O-N 2.93Å; L1702-L1738 HydrophobicContact CD1-CD2 4.29Å |
| 1703 | L | 53.4 | Low | 48.7 | Very low | 52.6 Ų | 52.6 | 51.9 Ų | 51.9 | 28% | 0.275 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -78.4 | -35.4 | 176.9 | -143.2 | 78.5 | 0 | 0 | 0 | 112.6 | L1597 L1601 T1683 Y1684 Y1699 F1700 L1701 A1705 L1706 H1707 T1745 | L1597-L1703 HydrophobicContact CD2-CD1 4.49Å; L1601-L1703 HydrophobicContact CD1-CD1 4.42Å; T1683-L1703 HydrophobicContact CG2-CD2 3.87Å; Y1684-L1703 HydrophobicContact CD2-CD1 4.14Å; Y1684-L1703 HydrophobicContact CE2-CD1 3.93Å; Y1699-L1703 HydrophobicContact CD1-CD1 3.87Å; Y1699-L1703 HydrophobicContact CE1-CD1 3.76Å; Y1699-L1703 HydrophobicContact CE1-CD2 4.43Å; Y1699-L1703 VanDerWaalsContact O-CB 3.26Å; Y1699-L1703 WeakPolarHBondContact O-CB 3.41Å; Y1699-L1703 WeakPolarHBondContact O-CD1 3.17Å; Y1699-L1703 PolarHBondContact O-N 3.02Å; Y1699-L1703 VanDerWaalsContact O-N 3.09Å; F1700-L1703 CarbonylContact O-C 3.38Å; F1700-L1703 WeakPolarHBondContact O-CA 3.24Å; F1700-L1703 VanDerWaalsContact O-CB 3.22Å; F1700-L1703 WeakPolarHBondContact O-CB 3.11Å; F1700-L1703 PolarHBondContact O-N 3.06Å; L1701-L1703 VanDerWaalsContact C-N 3.33Å; L1701-L1703 PolarHBondContact O-N 3.33Å; L1701-L1703 VanDerWaalsContact O-N 3.13Å; L1703-A1705 PolarHBondContact O-N 2.72Å; L1703-L1706 PolarHBondContact O-N 3.01Å; L1703-H1707 VanDerWaalsContact O-CB 3.27Å; L1703-H1707 WeakPolarHBondContact O-CB 3.37Å; L1703-H1707 PolarHBondContact O-N 3Å; L1703-H1707 PolarHBondContact O-ND1 3.44Å; L1703-T1745 HydrophobicContact CD2-CG2 4.24Å; L1703-T1745 WeakPolarHBondContact CD2-OG1 3.47Å |
| 1704 | H | 53 | Low | 49.5 | Very low | 52.2 Ų | 52.2 | 52.3 Ų | 52.3 | 24% | 0.242 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -35.9 | 175.3 | -170.9 | -90.7 | 0 | 0 | 0 | 111.7 | W1474 S1477 T1481 F1700 L1701 L1702 L1706 H1707 V1708 W1726 T1741 W1952 | W1474-H1704 AromaticContact NE1-ND1 3.47Å; W1474-H1704 PolarHBondContact NE1-ND1 3.32Å; S1477-H1704 PolarHBondContact OG-CE1 2.74Å; T1481-H1704 PolarHBondContact OG1-NE2 2.9Å; F1700-H1704 VanDerWaalsContact O-CB 3.27Å; F1700-H1704 WeakPolarHBondContact O-CB 3.31Å; F1700-H1704 PolarHBondContact O-N 3.23Å; L1701-H1704 WeakPolarHBondContact O-CB 3.36Å; L1701-H1704 PolarHBondContact O-N 3.28Å; L1701-H1704 VanDerWaalsContact O-N 3.13Å; L1702-H1704 VanDerWaalsContact C-N 3.31Å; L1702-H1704 PolarHBondContact O-N 3.12Å; H1704-L1706 VanDerWaalsContact C-N 3.33Å; H1704-L1706 PolarHBondContact O-N 3.19Å; H1704-H1707 PolarHBondContact O-N 3.16Å; H1704-H1707 VanDerWaalsContact O-N 3.07Å; H1704-V1708 WeakPolarHBondContact O-CB 3.36Å; H1704-V1708 WeakPolarHBondContact O-CG2 3.27Å; H1704-V1708 PolarHBondContact O-N 2.95Å; H1704-V1708 VanDerWaalsContact O-N 3.08Å; H1704-W1726 AromaticContact CE1-CH2 3.89Å; H1704-W1726 AromaticContact CE1-CZ3 3.77Å; H1704-T1741 WeakPolarHBondContact CD2-CB 2.92Å; H1704-T1741 PolarHBondContact CD2-OG1 3.43Å; H1704-T1741 VanDerWaalsContact NE2-CB 3.27Å; H1704-T1741 WeakPolarHBondContact NE2-CB 3.14Å; H1704-T1741 PolarHBondContact NE2-OG1 2.57Å; H1704-W1952 AromaticContact CD2-CH2 3.64Å; H1704-W1952 AromaticContact CD2-CZ3 3.87Å; H1704-W1952 AromaticContact NE2-CH2 3.1Å; H1704-W1952 WeakPolarHBondContact NE2-CH2 3.3Å; H1704-W1952 AromaticContact NE2-CZ2 3.82Å; H1704-W1952 AromaticContact NE2-CZ3 3.62Å |
| 1705 | A | 54.4 | Low | 50.1 | Low | 18.6 Ų | 18.6 | 50.6 Ų | 50.6 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.9 | -27.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1567 T1568 L1680 T1683 L1701 L1702 L1703 H1707 V1708 A1709 | I1567-A1705 HydrophobicContact CB-CB 4.2Å; I1567-A1705 HydrophobicContact CG2-CB 3.66Å; T1568-A1705 WeakPolarHBondContact OG1-CA 3.47Å; T1568-A1705 WeakPolarHBondContact OG1-CB 3.44Å; L1680-A1705 HydrophobicContact CD1-CB 4.15Å; L1680-A1705 HydrophobicContact CD2-CB 3.95Å; T1683-A1705 HydrophobicContact CG2-CB 4.12Å; T1683-A1705 VanDerWaalsContact OG1-CB 3.26Å; T1683-A1705 WeakPolarHBondContact OG1-CB 3.21Å; L1701-A1705 VanDerWaalsContact O-CB 3.31Å; L1701-A1705 WeakPolarHBondContact O-CB 3.31Å; L1701-A1705 PolarHBondContact O-N 3.4Å; L1702-A1705 PolarHBondContact O-N 3.18Å; L1703-A1705 PolarHBondContact O-N 2.72Å; A1705-H1707 PolarHBondContact O-N 3.47Å; A1705-V1708 PolarHBondContact O-N 3.45Å; A1705-A1709 VanDerWaalsContact O-CB 3.26Å; A1705-A1709 WeakPolarHBondContact O-CB 3.34Å; A1705-A1709 PolarHBondContact O-N 3.11Å |
| 1706 | L | 55.9 | Low | 50.6 | Low | 39.6 Ų | 39.6 | 54.9 Ų | 54.9 | 21% | 0.207 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -77.3 | -39.9 | 175.5 | -148 | 142.7 | 0 | 0 | 0 | 109.8 | L1575 L1597 L1598 L1601 L1680 L1681 L1702 L1703 H1704 V1708 A1709 Q1710 | L1575-L1706 HydrophobicContact CD1-CD1 4.39Å; L1597-L1706 HydrophobicContact CD2-CD2 4.24Å; L1597-L1706 HydrophobicContact CG-CD2 4.24Å; L1598-L1706 HydrophobicContact CD1-CD1 3.43Å; L1598-L1706 VanDerWaalsContact CD1-CD1 3.43Å; L1598-L1706 HydrophobicContact CD1-CD2 4.4Å; L1598-L1706 HydrophobicContact CG-CD1 3.88Å; L1601-L1706 HydrophobicContact CD1-CD2 3.95Å; L1680-L1706 HydrophobicContact CB-CB 4.26Å; L1680-L1706 HydrophobicContact CB-CD1 3.98Å; L1680-L1706 HydrophobicContact CB-CG 4.11Å; L1680-L1706 HydrophobicContact CD1-CB 4.45Å; L1681-L1706 HydrophobicContact CB-CD1 4.37Å; L1681-L1706 HydrophobicContact CD1-CD1 4.4Å; L1702-L1706 HydrophobicContact CD1-CD1 4.48Å; L1702-L1706 HydrophobicContact CG-CD1 4.22Å; L1702-L1706 VanDerWaalsContact O-CB 3.27Å; L1702-L1706 WeakPolarHBondContact O-CB 3.33Å; L1702-L1706 WeakPolarHBondContact O-CG 3.37Å; L1702-L1706 PolarHBondContact O-N 2.93Å; L1703-L1706 PolarHBondContact O-N 3.01Å; H1704-L1706 VanDerWaalsContact C-N 3.33Å; H1704-L1706 PolarHBondContact O-N 3.19Å; L1706-V1708 PolarHBondContact O-N 3.25Å; L1706-A1709 HydrophobicContact CD2-CB 3.61Å; L1706-A1709 CarbonylContact O-C 2.99Å; L1706-A1709 WeakPolarHBondContact O-CA 3.3Å; L1706-A1709 WeakPolarHBondContact O-CB 3.36Å; L1706-A1709 PolarHBondContact O-N 3.19Å; L1706-Q1710 HydrophobicContact CD1-CG 4.24Å; L1706-Q1710 HydrophobicContact CD2-CG 4.25Å; L1706-Q1710 VanDerWaalsContact O-CB 3.31Å; L1706-Q1710 WeakPolarHBondContact O-CB 3.32Å; L1706-Q1710 WeakPolarHBondContact O-CG 3.35Å; L1706-Q1710 PolarHBondContact O-N 3.24Å; L1706-Q1710 PolarHBondContact O-OE1 3.01Å |
| 1707 | H | 54.5 | Low | 51.4 | Low | 56.4 Ų | 56.4 | 55.3 Ų | 55.3 | 26% | 0.261 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 172.6 | -131 | 124.5 | 0 | 0 | 0 | 111.8 | N853 W1474 I1478 L1703 H1704 A1705 A1709 Q1710 L1711 L1956 | N853-H1707 PolarHBondContact ND2-CD2 3.4Å; N853-H1707 PolarHBondContact ND2-CE1 3.35Å; N853-H1707 PolarHBondContact ND2-NE2 2.72Å; W1474-H1707 HydrophobicContact CH2-CB 4.49Å; W1474-H1707 AromaticContact CH2-CD2 3.59Å; W1474-H1707 AromaticContact CH2-CE1 3.55Å; W1474-H1707 AromaticContact CH2-CG 3.65Å; W1474-H1707 AromaticContact CH2-ND1 3.62Å; W1474-H1707 AromaticContact CH2-NE2 3.53Å; W1474-H1707 HydrophobicContact CZ2-CB 4.14Å; W1474-H1707 AromaticContact CZ2-CG 3.69Å; W1474-H1707 AromaticContact CZ2-ND1 3.66Å; I1478-H1707 HydrophobicContact CD1-CB 3.83Å; I1478-H1707 HydrophobicContact CG1-CB 4.28Å; L1703-H1707 VanDerWaalsContact O-CB 3.27Å; L1703-H1707 WeakPolarHBondContact O-CB 3.37Å; L1703-H1707 PolarHBondContact O-N 3Å; L1703-H1707 PolarHBondContact O-ND1 3.44Å; H1704-H1707 PolarHBondContact O-N 3.16Å; H1704-H1707 VanDerWaalsContact O-N 3.07Å; A1705-H1707 PolarHBondContact O-N 3.47Å; H1707-A1709 VanDerWaalsContact C-N 3.28Å; H1707-A1709 PolarHBondContact O-N 3.03Å; H1707-A1709 VanDerWaalsContact O-N 3.09Å; H1707-Q1710 CarbonylContact O-C 3.59Å; H1707-Q1710 WeakPolarHBondContact O-CB 3.31Å; H1707-Q1710 PolarHBondContact O-N 3.32Å; H1707-Q1710 VanDerWaalsContact O-N 3.17Å; H1707-L1711 WeakPolarHBondContact O-CA 2.99Å; H1707-L1711 WeakPolarHBondContact O-CB 3.39Å; H1707-L1711 WeakPolarHBondContact O-CD1 3.4Å; H1707-L1711 VanDerWaalsContact O-CG 3.32Å; H1707-L1711 WeakPolarHBondContact O-CG 3.31Å; H1707-L1711 PolarHBondContact O-N 3.12Å; H1707-L1956 WeakPolarHBondContact CE1-CD2 3.23Å |
| 1708 | V | 55.8 | Low | 52.2 | Low | 20 Ų | 20 | 56.4 Ų | 56.4 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | A808 I1478 T1481 L1482 L1485 T1568 L1679 H1704 A1705 L1706 Q1710 L1711 T1712 V1722 W1726 | A808-V1708 WeakPolarHBondContact O-CG1 3.05Å; I1478-V1708 HydrophobicContact CB-CG2 4.26Å; I1478-V1708 HydrophobicContact CG2-CB 4.3Å; I1478-V1708 HydrophobicContact CG2-CG2 3.75Å; T1481-V1708 HydrophobicContact CG2-CG1 4.23Å; T1481-V1708 HydrophobicContact CG2-CG2 3.88Å; L1482-V1708 HydrophobicContact CB-CG1 4.14Å; L1482-V1708 HydrophobicContact CD1-CG1 4.38Å; L1485-V1708 HydrophobicContact CD1-CG1 4.13Å; T1568-V1708 HydrophobicContact CG2-CB 3.72Å; T1568-V1708 HydrophobicContact CG2-CG1 3.53Å; L1679-V1708 HydrophobicContact CD2-CG1 3.98Å; H1704-V1708 WeakPolarHBondContact O-CB 3.36Å; H1704-V1708 WeakPolarHBondContact O-CG2 3.27Å; H1704-V1708 PolarHBondContact O-N 2.95Å; H1704-V1708 VanDerWaalsContact O-N 3.08Å; A1705-V1708 PolarHBondContact O-N 3.45Å; L1706-V1708 PolarHBondContact O-N 3.25Å; V1708-Q1710 VanDerWaalsContact C-N 3.33Å; V1708-Q1710 PolarHBondContact O-N 3.46Å; V1708-L1711 PolarHBondContact O-N 3.03Å; V1708-T1712 WeakPolarHBondContact O-CB 3.23Å; V1708-T1712 PolarHBondContact O-N 3.09Å; V1708-T1712 VanDerWaalsContact O-N 3.15Å; V1708-T1712 PolarHBondContact O-OG1 2.99Å; V1708-V1722 HydrophobicContact CG1-CG1 4.05Å; V1708-W1726 HydrophobicContact CB-CE3 4.44Å; V1708-W1726 HydrophobicContact CB-CH2 4.49Å; V1708-W1726 HydrophobicContact CB-CZ3 4.47Å; V1708-W1726 HydrophobicContact CG1-CB 4.5Å; V1708-W1726 HydrophobicContact CG1-CD2 4.3Å; V1708-W1726 HydrophobicContact CG1-CE3 4.04Å; V1708-W1726 HydrophobicContact CG1-CH2 4.22Å; V1708-W1726 HydrophobicContact CG1-CZ2 4.03Å; V1708-W1726 HydrophobicContact CG1-CZ3 4.21Å; V1708-W1726 HydrophobicContact CG2-CE3 3.82Å; V1708-W1726 HydrophobicContact CG2-CH2 3.7Å; V1708-W1726 HydrophobicContact CG2-CZ2 4.21Å; V1708-W1726 HydrophobicContact CG2-CZ3 3.5Å; V1708-W1726 VanDerWaalsContact CG2-CZ3 3.4Å |
| 1709 | A | 55.6 | Low | 52.6 | Low | 11.6 Ų | 11.6 | 56 Ų | 56 | 10% | 0.096 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69 | -41.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1571 T1572 L1575 I1676 C1677 L1680 A1705 L1706 H1707 L1711 T1712 I1713 | N1571-A1709 HydrophobicContact CB-CB 3.73Å; T1572-A1709 WeakPolarHBondContact OG1-CA 3.43Å; T1572-A1709 VanDerWaalsContact OG1-CB 3.27Å; T1572-A1709 WeakPolarHBondContact OG1-CB 3.48Å; L1575-A1709 HydrophobicContact CD1-CB 3.87Å; I1676-A1709 HydrophobicContact CG1-CB 4.36Å; I1676-A1709 HydrophobicContact CG2-CB 3.69Å; C1677-A1709 WeakPolarHBondContact SG-CB 3.44Å; L1680-A1709 HydrophobicContact CD1-CB 4.45Å; A1705-A1709 VanDerWaalsContact O-CB 3.26Å; A1705-A1709 WeakPolarHBondContact O-CB 3.34Å; A1705-A1709 PolarHBondContact O-N 3.11Å; L1706-A1709 HydrophobicContact CD2-CB 3.61Å; L1706-A1709 CarbonylContact O-C 2.99Å; L1706-A1709 WeakPolarHBondContact O-CA 3.3Å; L1706-A1709 WeakPolarHBondContact O-CB 3.36Å; L1706-A1709 PolarHBondContact O-N 3.19Å; H1707-A1709 VanDerWaalsContact C-N 3.28Å; H1707-A1709 PolarHBondContact O-N 3.03Å; H1707-A1709 VanDerWaalsContact O-N 3.09Å; A1709-L1711 PolarHBondContact O-N 3.24Å; A1709-T1712 VanDerWaalsContact C-OG1 3.29Å; A1709-T1712 VanDerWaalsContact CA-OG1 3.29Å; A1709-T1712 WeakPolarHBondContact CA-OG1 3.18Å; A1709-T1712 WeakPolarHBondContact O-CB 3.46Å; A1709-T1712 PolarHBondContact O-N 3.2Å; A1709-T1712 PolarHBondContact O-OG1 3.11Å; A1709-I1713 WeakPolarHBondContact O-CB 3.42Å; A1709-I1713 WeakPolarHBondContact O-CD1 3.28Å; A1709-I1713 VanDerWaalsContact O-CG1 3.22Å; A1709-I1713 WeakPolarHBondContact O-CG1 3.07Å; A1709-I1713 PolarHBondContact O-N 2.97Å |
| 1710 | Q | 55 | Low | 52.8 | Low | 65.6 Ų | 65.6 | 57 Ų | 57 | 31% | 0.307 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 172.4 | -88.4 | 167.1 | -22.9 | 0 | 0 | 111.6 | L1575 L1598 L1601 A1602 L1706 H1707 V1708 T1712 I1713 V1714 N1981 | L1575-Q1710 HydrophobicContact CD1-CG 4.2Å; L1598-Q1710 PolarHBondContact O-NE2 3.03Å; L1601-Q1710 VanDerWaalsContact CB-NE2 3.32Å; A1602-Q1710 HydrophobicContact CB-CG 4.37Å; L1706-Q1710 HydrophobicContact CD1-CG 4.24Å; L1706-Q1710 HydrophobicContact CD2-CG 4.25Å; L1706-Q1710 VanDerWaalsContact O-CB 3.31Å; L1706-Q1710 WeakPolarHBondContact O-CB 3.32Å; L1706-Q1710 WeakPolarHBondContact O-CG 3.35Å; L1706-Q1710 PolarHBondContact O-N 3.24Å; L1706-Q1710 PolarHBondContact O-OE1 3.01Å; H1707-Q1710 CarbonylContact O-C 3.59Å; H1707-Q1710 WeakPolarHBondContact O-CB 3.31Å; H1707-Q1710 PolarHBondContact O-N 3.32Å; H1707-Q1710 VanDerWaalsContact O-N 3.17Å; V1708-Q1710 VanDerWaalsContact C-N 3.33Å; V1708-Q1710 PolarHBondContact O-N 3.46Å; Q1710-T1712 VanDerWaalsContact C-N 3.34Å; Q1710-T1712 PolarHBondContact O-N 3.19Å; Q1710-I1713 WeakPolarHBondContact O-CB 3.47Å; Q1710-I1713 PolarHBondContact O-N 3.19Å; Q1710-I1713 VanDerWaalsContact O-N 3.09Å; Q1710-V1714 HydrophobicContact CG-CG2 4.01Å; Q1710-V1714 VanDerWaalsContact O-CB 3.28Å; Q1710-V1714 WeakPolarHBondContact O-CB 3.44Å; Q1710-V1714 VanDerWaalsContact O-CG2 3.32Å; Q1710-V1714 WeakPolarHBondContact O-CG2 3.38Å; Q1710-V1714 PolarHBondContact O-N 3.17Å; Q1710-V1714 VanDerWaalsContact O-N 3.1Å; Q1710-N1981 PolarHBondContact NE2-OD1 3.33Å |
| 1711 | L | 52.6 | Low | 53 | Low | 50.2 Ų | 50.2 | 56.6 Ų | 56.6 | 26% | 0.263 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 174.7 | -91.4 | 152.2 | 0 | 0 | 0 | 112 | M810 T811 I1478 L1482 H1707 V1708 A1709 I1713 V1714 S1715 I1717 L1956 | M810-L1711 VanDerWaalsContact C-CB 3.47Å; M810-L1711 CarbonylContact O-C 3.57Å; M810-L1711 VanDerWaalsContact O-CA 3.23Å; M810-L1711 WeakPolarHBondContact O-CA 3.44Å; M810-L1711 WeakPolarHBondContact O-CB 3.48Å; T811-L1711 VanDerWaalsContact CA-CD2 3.42Å; I1478-L1711 HydrophobicContact CG2-CB 4.02Å; I1478-L1711 HydrophobicContact CG2-CD2 3.62Å; I1478-L1711 HydrophobicContact CG2-CG 4.46Å; L1482-L1711 HydrophobicContact CD2-CB 4.5Å; L1482-L1711 HydrophobicContact CD2-CD2 3.92Å; L1482-L1711 HydrophobicContact CD2-CG 3.93Å; H1707-L1711 WeakPolarHBondContact O-CA 2.99Å; H1707-L1711 WeakPolarHBondContact O-CB 3.39Å; H1707-L1711 WeakPolarHBondContact O-CD1 3.4Å; H1707-L1711 VanDerWaalsContact O-CG 3.32Å; H1707-L1711 WeakPolarHBondContact O-CG 3.31Å; H1707-L1711 PolarHBondContact O-N 3.12Å; V1708-L1711 PolarHBondContact O-N 3.03Å; A1709-L1711 PolarHBondContact O-N 3.24Å; L1711-I1713 VanDerWaalsContact C-N 3.3Å; L1711-I1713 PolarHBondContact O-N 3.17Å; L1711-V1714 PolarHBondContact O-N 2.89Å; L1711-S1715 WeakPolarHBondContact O-CA 3.31Å; L1711-S1715 VanDerWaalsContact O-CB 3.25Å; L1711-S1715 WeakPolarHBondContact O-CB 3.32Å; L1711-S1715 PolarHBondContact O-N 3.28Å; L1711-S1715 VanDerWaalsContact O-N 3.15Å; L1711-S1715 PolarHBondContact O-OG 3.05Å; L1711-S1715 VanDerWaalsContact O-OG 3.11Å; L1711-I1717 HydrophobicContact CB-CD1 4.16Å; L1711-L1956 HydrophobicContact CD1-CD2 4.31Å |
| 1712 | T | 55.3 | Low | 53.1 | Low | 23.4 Ų | 23.4 | 55.2 Ų | 55.2 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 176.2 | 3.3 | 0 | 0 | 0 | 0 | 112.8 | T809 M810 L1482 T1572 Y1576 I1676 V1708 A1709 Q1710 V1714 S1715 N1716 I1717 L1719 V1722 W1726 | T809-T1712 WeakPolarHBondContact O-CG2 3.37Å; M810-T1712 PolarHBondContact O-N 2.65Å; L1482-T1712 HydrophobicContact CD1-CG2 4.48Å; L1482-T1712 VanDerWaalsContact CD1-OG1 3.31Å; L1482-T1712 WeakPolarHBondContact CD1-OG1 3.39Å; T1572-T1712 HydrophobicContact CG2-CG2 3.97Å; Y1576-T1712 HydrophobicContact CE2-CG2 4.47Å; I1676-T1712 WeakPolarHBondContact CG1-OG1 3.25Å; V1708-T1712 WeakPolarHBondContact O-CB 3.23Å; V1708-T1712 PolarHBondContact O-N 3.09Å; V1708-T1712 VanDerWaalsContact O-N 3.15Å; V1708-T1712 PolarHBondContact O-OG1 2.99Å; A1709-T1712 VanDerWaalsContact C-OG1 3.29Å; A1709-T1712 VanDerWaalsContact CA-OG1 3.29Å; A1709-T1712 WeakPolarHBondContact CA-OG1 3.18Å; A1709-T1712 WeakPolarHBondContact O-CB 3.46Å; A1709-T1712 PolarHBondContact O-N 3.2Å; A1709-T1712 PolarHBondContact O-OG1 3.11Å; Q1710-T1712 VanDerWaalsContact C-N 3.34Å; Q1710-T1712 PolarHBondContact O-N 3.19Å; T1712-V1714 VanDerWaalsContact C-N 3.29Å; T1712-V1714 PolarHBondContact O-N 3.09Å; T1712-S1715 PolarHBondContact O-N 3.44Å; T1712-N1716 PolarHBondContact O-N 3.4Å; T1712-I1717 HydrophobicContact CG2-CB 4.09Å; T1712-I1717 HydrophobicContact CG2-CD1 3.95Å; T1712-I1717 HydrophobicContact CG2-CG1 4.41Å; T1712-I1717 HydrophobicContact CG2-CG2 3.84Å; T1712-I1717 WeakPolarHBondContact O-CB 3.26Å; T1712-I1717 PolarHBondContact O-N 3.19Å; T1712-L1719 HydrophobicContact CG2-CD1 4.19Å; T1712-V1722 HydrophobicContact CG2-CB 4.11Å; T1712-V1722 HydrophobicContact CG2-CG1 4.32Å; T1712-V1722 HydrophobicContact CG2-CG2 3.74Å; T1712-W1726 HydrophobicContact CG2-CH2 3.72Å; T1712-W1726 HydrophobicContact CG2-CZ2 3.82Å; T1712-W1726 WeakPolarHBondContact OG1-CH2 3.4Å |
| 1713 | I | 53.5 | Low | 53 | Low | 78.2 Ų | 78.2 | 58.2 Ų | 58.2 | 40% | 0.401 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.1 | -42.1 | 178.2 | -66.2 | 164.3 | 0 | 0 | 0 | 111.4 | L1575 Y1576 M1585 L1601 V1605 I1673 I1676 A1709 Q1710 L1711 S1715 N1716 | L1575-I1713 HydrophobicContact CB-CD1 3.38Å; L1575-I1713 HydrophobicContact CD1-CD1 3.89Å; L1575-I1713 HydrophobicContact CG-CD1 4.14Å; Y1576-I1713 HydrophobicContact CE1-CG1 4.14Å; Y1576-I1713 HydrophobicContact CE2-CG1 4.02Å; M1585-I1713 HydrophobicContact CE-CD1 3.87Å; M1585-I1713 HydrophobicContact CE-CG1 4.13Å; M1585-I1713 HydrophobicContact CE-CG2 3.64Å; L1601-I1713 HydrophobicContact CB-CD1 4.24Å; L1601-I1713 HydrophobicContact CB-CG2 4.23Å; L1601-I1713 HydrophobicContact CD2-CD1 4.19Å; L1601-I1713 WeakPolarHBondContact O-CG2 3.44Å; V1605-I1713 WeakPolarHBondContact CG1-O 3.37Å; V1605-I1713 HydrophobicContact CG2-CG2 3.71Å; V1605-I1713 WeakPolarHBondContact CG2-O 3.36Å; I1673-I1713 HydrophobicContact CG2-CD1 3.91Å; I1673-I1713 HydrophobicContact CG2-CG1 3.64Å; I1676-I1713 HydrophobicContact CD1-CD1 4.06Å; I1676-I1713 HydrophobicContact CD1-CG1 3.66Å; I1676-I1713 VanDerWaalsContact CD1-CG1 3.44Å; A1709-I1713 WeakPolarHBondContact O-CB 3.42Å; A1709-I1713 WeakPolarHBondContact O-CD1 3.28Å; A1709-I1713 VanDerWaalsContact O-CG1 3.22Å; A1709-I1713 WeakPolarHBondContact O-CG1 3.07Å; A1709-I1713 PolarHBondContact O-N 2.97Å; Q1710-I1713 WeakPolarHBondContact O-CB 3.47Å; Q1710-I1713 PolarHBondContact O-N 3.19Å; Q1710-I1713 VanDerWaalsContact O-N 3.09Å; L1711-I1713 VanDerWaalsContact C-N 3.3Å; L1711-I1713 PolarHBondContact O-N 3.17Å; I1713-S1715 PolarHBondContact O-N 2.95Å; I1713-N1716 PolarHBondContact O-N 3.46Å |
| 1714 | V | 52.6 | Low | 52.7 | Low | 96 Ų | 96 | 59.2 Ų | 59.2 | 58% | 0.582 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -83.2 | -27.8 | -171.3 | 172.1 | 0 | 0 | 0 | 0 | 112.8 | T812 V1605 Q1710 L1711 T1712 N1716 | T812-V1714 HydrophobicContact CG2-CG1 3.79Å; T812-V1714 VanDerWaalsContact CG2-O 3.26Å; T812-V1714 WeakPolarHBondContact CG2-O 3.27Å; T812-V1714 WeakPolarHBondContact OG1-CG1 3.2Å; V1605-V1714 HydrophobicContact CB-CG2 4.35Å; V1605-V1714 HydrophobicContact CG1-CB 4.38Å; V1605-V1714 HydrophobicContact CG1-CG1 3.87Å; V1605-V1714 HydrophobicContact CG1-CG2 3.68Å; Q1710-V1714 HydrophobicContact CG-CG2 4.01Å; Q1710-V1714 VanDerWaalsContact O-CB 3.28Å; Q1710-V1714 WeakPolarHBondContact O-CB 3.44Å; Q1710-V1714 VanDerWaalsContact O-CG2 3.32Å; Q1710-V1714 WeakPolarHBondContact O-CG2 3.38Å; Q1710-V1714 PolarHBondContact O-N 3.17Å; Q1710-V1714 VanDerWaalsContact O-N 3.1Å; L1711-V1714 PolarHBondContact O-N 2.89Å; T1712-V1714 VanDerWaalsContact C-N 3.29Å; T1712-V1714 PolarHBondContact O-N 3.09Å; V1714-N1716 VanDerWaalsContact C-N 3.33Å |
| 1715 | S | 50.4 | Low | 52.4 | Low | 48.6 Ų | 48.6 | 63.6 Ų | 63.6 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -100.8 | -0.9 | -177.5 | -33 | 0 | 0 | 0 | 0 | 114.1 | M810 T811 L1711 T1712 I1713 I1717 | M810-S1715 PolarHBondContact O-OG 2.76Å; T811-S1715 WeakPolarHBondContact O-CB 3.41Å; T811-S1715 PolarHBondContact O-OG 3.34Å; T811-S1715 VanDerWaalsContact OG1-CB 3.3Å; T811-S1715 WeakPolarHBondContact OG1-CB 2.61Å; T811-S1715 PolarHBondContact OG1-OG 2.96Å; L1711-S1715 WeakPolarHBondContact O-CA 3.31Å; L1711-S1715 VanDerWaalsContact O-CB 3.25Å; L1711-S1715 WeakPolarHBondContact O-CB 3.32Å; L1711-S1715 PolarHBondContact O-N 3.28Å; L1711-S1715 VanDerWaalsContact O-N 3.15Å; L1711-S1715 PolarHBondContact O-OG 3.05Å; L1711-S1715 VanDerWaalsContact O-OG 3.11Å; T1712-S1715 PolarHBondContact O-N 3.44Å; I1713-S1715 PolarHBondContact O-N 2.95Å; S1715-I1717 VanDerWaalsContact C-N 3.34Å; S1715-I1717 PolarHBondContact O-N 3.15Å; S1715-I1717 VanDerWaalsContact O-N 3.11Å; S1715-I1717 WeakPolarHBondContact OG-CD1 3.19Å |
| 1716 | N | 48.1 | Very low | 52 | Low | 140 Ų | 140 | 66.9 Ų | 66.9 | 75% | 0.749 | 34% | 0.343 | S | S | * | . | trans | 53.9 | 30.6 | 179.2 | -137.8 | 23.9 | 0 | 0 | 0 | 114.4 | T1712 I1713 V1714 S1718 | T1712-N1716 PolarHBondContact O-N 3.4Å; I1713-N1716 PolarHBondContact O-N 3.46Å; V1714-N1716 VanDerWaalsContact C-N 3.33Å; N1716-S1718 PolarHBondContact O-N 3.03Å | ||
| 1717 | I | 53.6 | Low | 51.5 | Low | 42.2 Ų | 42.2 | 68.1 Ų | 68.1 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | trans | -69.6 | 137.8 | 179.5 | -67.3 | 156.9 | 0 | 0 | 0 | 109.2 | M810 L1482 R1486 Y1576 L1711 T1712 S1715 L1719 E1721 V1722 | M810-I1717 HydrophobicContact CB-CB 4.45Å; M810-I1717 HydrophobicContact CB-CD1 3.75Å; M810-I1717 HydrophobicContact CB-CG1 4.22Å; M810-I1717 HydrophobicContact CG-CB 4.36Å; M810-I1717 HydrophobicContact CG-CD1 4.21Å; M810-I1717 HydrophobicContact CG-CG1 4.16Å; M810-I1717 HydrophobicContact CG-CG2 4.17Å; M810-I1717 HydrophobicContact SD-CB 4.36Å; M810-I1717 HydrophobicContact SD-CD1 3.97Å; M810-I1717 HydrophobicContact SD-CG1 3.66Å; M810-I1717 HydrophobicContact SD-CG2 4.06Å; L1482-I1717 HydrophobicContact CD1-CD1 3.94Å; L1482-I1717 HydrophobicContact CD2-CD1 4.13Å; L1482-I1717 HydrophobicContact CG-CD1 4.33Å; R1486-I1717 HydrophobicContact CG-CD1 4.24Å; Y1576-I1717 PolarHBondContact OH-O 3.42Å; L1711-I1717 HydrophobicContact CB-CD1 4.16Å; T1712-I1717 HydrophobicContact CG2-CB 4.09Å; T1712-I1717 HydrophobicContact CG2-CD1 3.95Å; T1712-I1717 HydrophobicContact CG2-CG1 4.41Å; T1712-I1717 HydrophobicContact CG2-CG2 3.84Å; T1712-I1717 WeakPolarHBondContact O-CB 3.26Å; T1712-I1717 PolarHBondContact O-N 3.19Å; S1715-I1717 VanDerWaalsContact C-N 3.34Å; S1715-I1717 PolarHBondContact O-N 3.15Å; S1715-I1717 VanDerWaalsContact O-N 3.11Å; S1715-I1717 WeakPolarHBondContact OG-CD1 3.19Å; I1717-L1719 PolarHBondContact O-N 3.42Å; I1717-E1721 HydrophobicContact CG2-CB 3.75Å; I1717-E1721 VanDerWaalsContact CG2-CB 3.44Å; I1717-E1721 HydrophobicContact CG2-CG 4.38Å; I1717-V1722 HydrophobicContact CB-CG2 4.39Å; I1717-V1722 HydrophobicContact CG2-CG2 3.86Å | ||
| 1718 | S | 54.2 | Low | 50.8 | Low | 52.6 Ų | 52.6 | 72.3 Ų | 72.3 | 37% | 0.368 | 37% | 0.367 | S | S | . | . | trans | -69.9 | 144.9 | -177.8 | 72.9 | 0 | 0 | 0 | 0 | 111.7 | N1716 N1720 E1721 V1722 | N1716-S1718 PolarHBondContact O-N 3.03Å; S1718-N1720 PolarHBondContact O-N 3.09Å; S1718-N1720 VanDerWaalsContact O-N 3.12Å; S1718-E1721 VanDerWaalsContact CB-OE2 3.28Å; S1718-E1721 WeakPolarHBondContact CB-OE2 3.32Å; S1718-E1721 PolarHBondContact N-OE2 3.05Å; S1718-E1721 VanDerWaalsContact N-OE2 3.16Å; S1718-E1721 WeakPolarHBondContact O-CA 3.45Å; S1718-E1721 WeakPolarHBondContact O-CB 3.3Å; S1718-E1721 PolarHBondContact O-N 3.09Å; S1718-E1721 WeakPolarHBondContact OG-CB 3.33Å; S1718-E1721 VanDerWaalsContact OG-CD 3.3Å; S1718-E1721 VanDerWaalsContact OG-CG 3.28Å; S1718-E1721 WeakPolarHBondContact OG-CG 3.31Å; S1718-E1721 PolarHBondContact OG-N 2.81Å; S1718-E1721 VanDerWaalsContact OG-N 3.08Å; S1718-E1721 PolarHBondContact OG-OE2 3.17Å; S1718-V1722 PolarHBondContact O-N 3.1Å; S1718-V1722 VanDerWaalsContact O-N 3.1Å | ||
| 1719 | L | 49.9 | Very low | 49.8 | Very low | 77.4 Ų | 77.4 | 74.5 Ų | 74.5 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.7 | -26.3 | 175.4 | -167.5 | 71.7 | 0 | 0 | 0 | 112 | L1573 Y1576 I1673 H1675 T1712 I1717 E1721 V1722 K1723 | L1573-L1719 HydrophobicContact CD2-CD1 3.87Å; Y1576-L1719 HydrophobicContact CD1-CB 4.32Å; Y1576-L1719 HydrophobicContact CD2-CD1 4.02Å; Y1576-L1719 HydrophobicContact CG-CB 4.3Å; Y1576-L1719 HydrophobicContact CG-CD1 4.11Å; I1673-L1719 HydrophobicContact CD1-CD1 4.38Å; I1673-L1719 HydrophobicContact CG1-CD1 4.27Å; H1675-L1719 HydrophobicContact CB-CD1 4.25Å; T1712-L1719 HydrophobicContact CG2-CD1 4.19Å; I1717-L1719 PolarHBondContact O-N 3.42Å; L1719-E1721 VanDerWaalsContact C-N 3.34Å; L1719-V1722 PolarHBondContact O-N 3.39Å; L1719-K1723 HydrophobicContact CD1-CG 4.36Å; L1719-K1723 VanDerWaalsContact O-CB 3.23Å; L1719-K1723 WeakPolarHBondContact O-CB 3.36Å; L1719-K1723 VanDerWaalsContact O-CG 3.27Å; L1719-K1723 WeakPolarHBondContact O-CG 3.34Å; L1719-K1723 PolarHBondContact O-N 3.15Å; L1719-K1723 VanDerWaalsContact O-N 3.16Å |
| 1720 | N | 51.4 | Low | 48.8 | Very low | 103.6 Ų | 103.6 | 80.2 Ų | 80.2 | 55% | 0.554 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -73.2 | -36.1 | 175.6 | -146.4 | 26.9 | 0 | 0 | 0 | 112.7 | S1718 V1722 K1723 N1724 | S1718-N1720 PolarHBondContact O-N 3.09Å; S1718-N1720 VanDerWaalsContact O-N 3.12Å; N1720-V1722 VanDerWaalsContact C-N 3.33Å; N1720-V1722 PolarHBondContact O-N 3.44Å; N1720-K1723 CarbonylContact O-C 2.94Å; N1720-K1723 PolarHBondContact O-N 3.08Å; N1720-N1724 VanDerWaalsContact CG-ND2 3.33Å; N1720-N1724 VanDerWaalsContact O-CB 3.3Å; N1720-N1724 WeakPolarHBondContact O-CB 3.32Å; N1720-N1724 VanDerWaalsContact O-CG 3.23Å; N1720-N1724 PolarHBondContact O-N 3.22Å; N1720-N1724 PolarHBondContact O-ND2 3.09Å; N1720-N1724 VanDerWaalsContact O-ND2 3.08Å; N1720-N1724 PolarHBondContact OD1-ND2 3.11Å; N1720-N1724 PolarHBondContact OD1-OD1 3.12Å |
| 1721 | E | 52.9 | Low | 48 | Very low | 72.2 Ų | 72.2 | 81.9 Ų | 81.9 | 34% | 0.337 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68 | -43.7 | 173.2 | -90.1 | 167.6 | 118.5 | 0 | 0 | 111.5 | R1486 I1717 S1718 L1719 K1723 N1724 Y1725 | R1486-E1721 IonicContact CZ-OE1 2.72Å; R1486-E1721 IonicContact CZ-OE2 3.21Å; R1486-E1721 IonicContact NE-OE1 3.68Å; R1486-E1721 PolarHBondContact NE-OE1 3.34Å; R1486-E1721 IonicContact NE-OE2 2.77Å; R1486-E1721 IonicContact NH2-OE1 3.77Å; R1486-E1721 PolarHBondContact NH2-OE1 3.03Å; R1486-E1721 VanDerWaalsContact NH2-OE1 3.14Å; R1486-E1721 IonicContact NH2-OE2 3.13Å; R1486-E1721 PolarHBondContact NH2-OE2 3.39Å; I1717-E1721 HydrophobicContact CG2-CB 3.75Å; I1717-E1721 VanDerWaalsContact CG2-CB 3.44Å; I1717-E1721 HydrophobicContact CG2-CG 4.38Å; S1718-E1721 VanDerWaalsContact CB-OE2 3.28Å; S1718-E1721 WeakPolarHBondContact CB-OE2 3.32Å; S1718-E1721 PolarHBondContact N-OE2 3.05Å; S1718-E1721 VanDerWaalsContact N-OE2 3.16Å; S1718-E1721 WeakPolarHBondContact O-CA 3.45Å; S1718-E1721 WeakPolarHBondContact O-CB 3.3Å; S1718-E1721 PolarHBondContact O-N 3.09Å; S1718-E1721 WeakPolarHBondContact OG-CB 3.33Å; S1718-E1721 VanDerWaalsContact OG-CD 3.3Å; S1718-E1721 VanDerWaalsContact OG-CG 3.28Å; S1718-E1721 WeakPolarHBondContact OG-CG 3.31Å; S1718-E1721 PolarHBondContact OG-N 2.81Å; S1718-E1721 VanDerWaalsContact OG-N 3.08Å; S1718-E1721 PolarHBondContact OG-OE2 3.17Å; L1719-E1721 VanDerWaalsContact C-N 3.34Å; E1721-K1723 VanDerWaalsContact C-N 3.31Å; E1721-K1723 PolarHBondContact O-N 3.03Å; E1721-N1724 PolarHBondContact O-N 3.17Å; E1721-Y1725 HydrophobicContact CB-CD2 4.11Å; E1721-Y1725 HydrophobicContact CB-CE2 4.43Å; E1721-Y1725 HydrophobicContact CG-CD2 3.97Å; E1721-Y1725 HydrophobicContact CG-CE2 4.16Å; E1721-Y1725 WeakPolarHBondContact O-CB 3.33Å; E1721-Y1725 WeakPolarHBondContact O-CD2 3.3Å; E1721-Y1725 PolarHBondContact O-N 2.86Å; E1721-Y1725 VanDerWaalsContact O-N 3.11Å |
| 1722 | V | 51.4 | Low | 47.2 | Very low | 23.4 Ų | 23.4 | 87.7 Ų | 87.7 | 14% | 0.142 | 45% | 0.445 | C | S | . | . | I | π-helix | trans | -59.7 | -42.7 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | A808 Y1569 T1572 Y1576 V1708 T1712 I1717 S1718 L1719 N1720 N1724 W1726 L1727 | A808-V1722 HydrophobicContact CB-CG1 3.37Å; Y1569-V1722 HydrophobicContact CD2-CG1 3.75Å; Y1569-V1722 HydrophobicContact CE2-CG1 3.77Å; Y1569-V1722 WeakPolarHBondContact CE2-O 3.25Å; T1572-V1722 HydrophobicContact CG2-CG1 3.91Å; T1572-V1722 HydrophobicContact CG2-CG2 3.91Å; Y1576-V1722 HydrophobicContact CE2-CG2 4.14Å; V1708-V1722 HydrophobicContact CG1-CG1 4.05Å; T1712-V1722 HydrophobicContact CG2-CB 4.11Å; T1712-V1722 HydrophobicContact CG2-CG1 4.32Å; T1712-V1722 HydrophobicContact CG2-CG2 3.74Å; I1717-V1722 HydrophobicContact CB-CG2 4.39Å; I1717-V1722 HydrophobicContact CG2-CG2 3.86Å; S1718-V1722 PolarHBondContact O-N 3.1Å; S1718-V1722 VanDerWaalsContact O-N 3.1Å; L1719-V1722 PolarHBondContact O-N 3.39Å; N1720-V1722 VanDerWaalsContact C-N 3.33Å; N1720-V1722 PolarHBondContact O-N 3.44Å; V1722-N1724 PolarHBondContact O-N 3.44Å; V1722-W1726 HydrophobicContact CB-CD2 4.47Å; V1722-W1726 HydrophobicContact CG1-CB 4.27Å; V1722-W1726 HydrophobicContact CG1-CD2 4.12Å; V1722-W1726 HydrophobicContact CG1-CE3 4.02Å; V1722-W1726 HydrophobicContact CG1-CZ3 4.32Å; V1722-W1726 HydrophobicContact CG2-CD2 4.45Å; V1722-W1726 HydrophobicContact CG2-CH2 4.29Å; V1722-W1726 HydrophobicContact CG2-CZ2 3.96Å; V1722-W1726 CarbonylContact O-C 3.52Å; V1722-W1726 WeakPolarHBondContact O-CA 3.42Å; V1722-W1726 VanDerWaalsContact O-CB 3.24Å; V1722-W1726 WeakPolarHBondContact O-CB 3.34Å; V1722-W1726 PolarHBondContact O-N 2.97Å; V1722-W1726 VanDerWaalsContact O-N 3.13Å; V1722-L1727 HydrophobicContact CG1-CD1 4.08Å; V1722-L1727 HydrophobicContact CG1-CG 4.18Å; V1722-L1727 WeakPolarHBondContact O-CB 3.24Å; V1722-L1727 WeakPolarHBondContact O-CG 3.33Å; V1722-L1727 PolarHBondContact O-N 3.02Å; V1722-L1727 VanDerWaalsContact O-N 3.08Å |
| 1723 | K | 48.3 | Very low | 46.4 | Very low | 97 Ų | 97 | 89.5 Ų | 89.5 | 42% | 0.422 | 46% | 0.459 | S | S | . | . | I | π-helix | trans | -64.3 | -44 | 174.4 | -109.1 | 172.8 | -178.3 | 172.7 | 0 | 113 | D1667 E1670 L1719 N1720 E1721 L1727 K1728 | D1667-K1723 IonicContact OD2-NZ 3.09Å; D1667-K1723 PolarHBondContact OD2-NZ 3.18Å; E1670-K1723 VanDerWaalsContact CD-NZ 3.34Å; E1670-K1723 VanDerWaalsContact OE1-CE 3.29Å; E1670-K1723 WeakPolarHBondContact OE1-CE 3.38Å; E1670-K1723 IonicContact OE1-NZ 2.65Å; E1670-K1723 PolarHBondContact OE1-NZ 2.92Å; L1719-K1723 HydrophobicContact CD1-CG 4.36Å; L1719-K1723 VanDerWaalsContact O-CB 3.23Å; L1719-K1723 WeakPolarHBondContact O-CB 3.36Å; L1719-K1723 VanDerWaalsContact O-CG 3.27Å; L1719-K1723 WeakPolarHBondContact O-CG 3.34Å; L1719-K1723 PolarHBondContact O-N 3.15Å; L1719-K1723 VanDerWaalsContact O-N 3.16Å; N1720-K1723 CarbonylContact O-C 2.94Å; N1720-K1723 PolarHBondContact O-N 3.08Å; E1721-K1723 VanDerWaalsContact C-N 3.31Å; E1721-K1723 PolarHBondContact O-N 3.03Å; K1723-L1727 HydrophobicContact CB-CD1 4.45Å; K1723-L1727 HydrophobicContact CG-CD1 4.16Å; K1723-L1727 CarbonylContact O-C 3.56Å; K1723-L1727 WeakPolarHBondContact O-CA 3.46Å; K1723-L1727 WeakPolarHBondContact O-CB 3.4Å; K1723-L1727 WeakPolarHBondContact O-CD1 3.28Å; K1723-L1727 WeakPolarHBondContact O-CG 3.1Å; K1723-L1727 PolarHBondContact O-N 3.02Å; K1723-K1728 WeakPolarHBondContact O-CB 3.48Å; K1723-K1728 PolarHBondContact O-N 2.79Å |
| 1724 | N | 48.2 | Very low | 45.7 | Very low | 74.4 Ų | 74.4 | 88.3 Ų | 88.3 | 40% | 0.398 | 46% | 0.456 | S | S | . | . | I | π-helix | trans | -81.7 | -34.8 | -172.2 | -70.3 | -36.2 | 0 | 0 | 0 | 113.8 | N1720 E1721 V1722 K1728 | N1720-N1724 VanDerWaalsContact CG-ND2 3.33Å; N1720-N1724 VanDerWaalsContact O-CB 3.3Å; N1720-N1724 WeakPolarHBondContact O-CB 3.32Å; N1720-N1724 VanDerWaalsContact O-CG 3.23Å; N1720-N1724 PolarHBondContact O-N 3.22Å; N1720-N1724 PolarHBondContact O-ND2 3.09Å; N1720-N1724 VanDerWaalsContact O-ND2 3.08Å; N1720-N1724 PolarHBondContact OD1-ND2 3.11Å; N1720-N1724 PolarHBondContact OD1-OD1 3.12Å; E1721-N1724 PolarHBondContact O-N 3.17Å; V1722-N1724 PolarHBondContact O-N 3.44Å; N1724-K1728 WeakPolarHBondContact OD1-CD 3.15Å; N1724-K1728 WeakPolarHBondContact OD1-CE 3.32Å; N1724-K1728 PolarHBondContact OD1-NZ 3.28Å |
| 1725 | Y | 46.1 | Very low | 45 | Very low | 145 Ų | 145 | 88.4 Ų | 88.4 | 57% | 0.569 | 45% | 0.448 | S | S | * | . | I | π-helix | trans | -93.1 | -31.6 | -177.1 | -70.5 | -72.4 | 0 | 0 | 0 | 113.9 | N1491 E1721 L1727 K1728 | N1491-Y1725 PolarHBondContact ND2-O 2.93Å; N1491-Y1725 VanDerWaalsContact ND2-O 3.09Å; E1721-Y1725 HydrophobicContact CB-CD2 4.11Å; E1721-Y1725 HydrophobicContact CB-CE2 4.43Å; E1721-Y1725 HydrophobicContact CG-CD2 3.97Å; E1721-Y1725 HydrophobicContact CG-CE2 4.16Å; E1721-Y1725 WeakPolarHBondContact O-CB 3.33Å; E1721-Y1725 WeakPolarHBondContact O-CD2 3.3Å; E1721-Y1725 PolarHBondContact O-N 2.86Å; E1721-Y1725 VanDerWaalsContact O-N 3.11Å; Y1725-L1727 PolarHBondContact O-N 2.91Å; Y1725-K1728 PolarHBondContact O-N 3.4Å |
| 1726 | W | 47 | Very low | 44.5 | Very low | 87.8 Ų | 87.8 | 87.6 Ų | 87.6 | 33% | 0.333 | 45% | 0.448 | S | S | . | . | I | π-helix | trans | -95.5 | -24 | -178.4 | -84.3 | 60.6 | 0 | 0 | 0 | 114 | T807 A808 T809 L1482 L1485 N1491 T1568 Y1569 T1572 H1704 V1708 T1712 V1722 S1729 W1952 L1956 | T807-W1726 WeakPolarHBondContact CG2-O 3.33Å; A808-W1726 HydrophobicContact CB-CB 4.34Å; A808-W1726 VanDerWaalsContact O-CZ3 3.3Å; A808-W1726 WeakPolarHBondContact O-CZ3 3.14Å; T809-W1726 VanDerWaalsContact CG2-CD1 3.47Å; T809-W1726 HydrophobicContact CG2-CG 4.23Å; T809-W1726 HydrophobicContact CG2-CZ2 4.47Å; T809-W1726 VanDerWaalsContact OG1-CB 3.26Å; T809-W1726 WeakPolarHBondContact OG1-CB 3.36Å; T809-W1726 PolarHBondContact OG1-NE1 3.31Å; L1482-W1726 HydrophobicContact CD1-CH2 4Å; L1482-W1726 HydrophobicContact CD1-CZ2 3.77Å; L1485-W1726 HydrophobicContact CB-CD2 3.9Å; L1485-W1726 HydrophobicContact CB-CE3 4.08Å; L1485-W1726 HydrophobicContact CB-CG 4.36Å; L1485-W1726 HydrophobicContact CB-CH2 4.46Å; L1485-W1726 HydrophobicContact CB-CZ2 4.28Å; L1485-W1726 HydrophobicContact CB-CZ3 4.37Å; L1485-W1726 HydrophobicContact CD1-CE3 4.09Å; L1485-W1726 HydrophobicContact CD1-CH2 4.21Å; L1485-W1726 HydrophobicContact CD1-CZ3 3.82Å; L1485-W1726 HydrophobicContact CD2-CD2 4.33Å; L1485-W1726 HydrophobicContact CD2-CE3 3.93Å; L1485-W1726 HydrophobicContact CD2-CZ3 4.49Å; L1485-W1726 HydrophobicContact CG-CE3 4.26Å; L1485-W1726 HydrophobicContact CG-CZ3 4.47Å; N1491-W1726 PolarHBondContact ND2-O 3.13Å; T1568-W1726 HydrophobicContact CG2-CZ3 4.42Å; Y1569-W1726 HydrophobicContact CD2-CB 4.06Å; Y1569-W1726 AromaticContact CD2-CE3 3.96Å; Y1569-W1726 HydrophobicContact CD2-CE3 3.96Å; Y1569-W1726 HydrophobicContact CE2-CB 4.33Å; T1572-W1726 HydrophobicContact CG2-CH2 4.16Å; T1572-W1726 HydrophobicContact CG2-CZ3 4.19Å; H1704-W1726 AromaticContact CE1-CH2 3.89Å; H1704-W1726 AromaticContact CE1-CZ3 3.77Å; V1708-W1726 HydrophobicContact CB-CE3 4.44Å; V1708-W1726 HydrophobicContact CB-CH2 4.49Å; V1708-W1726 HydrophobicContact CB-CZ3 4.47Å; V1708-W1726 HydrophobicContact CG1-CB 4.5Å; V1708-W1726 HydrophobicContact CG1-CD2 4.3Å; V1708-W1726 HydrophobicContact CG1-CE3 4.04Å; V1708-W1726 HydrophobicContact CG1-CH2 4.22Å; V1708-W1726 HydrophobicContact CG1-CZ2 4.03Å; V1708-W1726 HydrophobicContact CG1-CZ3 4.21Å; V1708-W1726 HydrophobicContact CG2-CE3 3.82Å; V1708-W1726 HydrophobicContact CG2-CH2 3.7Å; V1708-W1726 HydrophobicContact CG2-CZ2 4.21Å; V1708-W1726 HydrophobicContact CG2-CZ3 3.5Å; V1708-W1726 VanDerWaalsContact CG2-CZ3 3.4Å; T1712-W1726 HydrophobicContact CG2-CH2 3.72Å; T1712-W1726 HydrophobicContact CG2-CZ2 3.82Å; T1712-W1726 WeakPolarHBondContact OG1-CH2 3.4Å; V1722-W1726 HydrophobicContact CB-CD2 4.47Å; V1722-W1726 HydrophobicContact CG1-CB 4.27Å; V1722-W1726 HydrophobicContact CG1-CD2 4.12Å; V1722-W1726 HydrophobicContact CG1-CE3 4.02Å; V1722-W1726 HydrophobicContact CG1-CZ3 4.32Å; V1722-W1726 HydrophobicContact CG2-CD2 4.45Å; V1722-W1726 HydrophobicContact CG2-CH2 4.29Å; V1722-W1726 HydrophobicContact CG2-CZ2 3.96Å; V1722-W1726 CarbonylContact O-C 3.52Å; V1722-W1726 WeakPolarHBondContact O-CA 3.42Å; V1722-W1726 VanDerWaalsContact O-CB 3.24Å; V1722-W1726 WeakPolarHBondContact O-CB 3.34Å; V1722-W1726 PolarHBondContact O-N 2.97Å; V1722-W1726 VanDerWaalsContact O-N 3.13Å; W1726-S1729 PolarHBondContact O-OG 2.96Å; W1726-W1952 AromaticContact CH2-CE3 3.9Å; W1726-W1952 HydrophobicContact CH2-CE3 3.9Å; W1726-W1952 HydrophobicContact CH2-CH2 4.31Å; W1726-W1952 AromaticContact CH2-CZ3 3.42Å; W1726-W1952 HydrophobicContact CH2-CZ3 3.9Å; W1726-W1952 VanDerWaalsContact CH2-CZ3 3.42Å; W1726-W1952 HydrophobicContact CZ2-CE3 4.36Å; W1726-W1952 AromaticContact CZ2-CH2 3.94Å; W1726-W1952 HydrophobicContact CZ2-CH2 3.94Å; W1726-W1952 AromaticContact CZ2-CZ3 3.48Å; W1726-W1952 HydrophobicContact CZ2-CZ3 3.48Å; W1726-W1952 VanDerWaalsContact CZ2-CZ3 3.48Å; W1726-W1952 HydrophobicContact CZ3-CH2 4.15Å; W1726-W1952 AromaticContact CZ3-CZ3 3.85Å; W1726-W1952 HydrophobicContact CZ3-CZ3 4Å; W1726-L1956 HydrophobicContact CZ3-CD2 3.93Å |
| 1727 | L | 44.3 | Very low | 44 | Very low | 63.6 Ų | 63.6 | 84.9 Ų | 84.9 | 33% | 0.333 | 43% | 0.433 | S | S | . | . | trans | -115.2 | 12.6 | -176.3 | -96.1 | 153.8 | 0 | 0 | 0 | 113.9 | T806 T807 L1490 N1491 L1494 Y1569 L1679 V1722 K1723 Y1725 S1729 I1731 L1956 | T806-L1727 HydrophobicContact CG2-CD2 4.37Å; T807-L1727 HydrophobicContact CG2-CD2 3.92Å; T807-L1727 HydrophobicContact CG2-CG 3.92Å; T807-L1727 WeakPolarHBondContact OG1-CD2 3.46Å; T807-L1727 WeakPolarHBondContact OG1-CG 3.46Å; L1490-L1727 HydrophobicContact CD2-CB 4.19Å; L1490-L1727 HydrophobicContact CD2-CD1 4.01Å; L1490-L1727 HydrophobicContact CG-CD1 4.22Å; N1491-L1727 WeakPolarHBondContact OD1-CA 3.35Å; L1494-L1727 HydrophobicContact CD1-CD1 3.68Å; Y1569-L1727 HydrophobicContact CD1-CD2 4.22Å; Y1569-L1727 HydrophobicContact CE1-CB 4.48Å; Y1569-L1727 HydrophobicContact CE1-CD2 3.84Å; Y1569-L1727 HydrophobicContact CE2-CB 4.11Å; L1679-L1727 HydrophobicContact CD1-CD2 4.11Å; V1722-L1727 HydrophobicContact CG1-CD1 4.08Å; V1722-L1727 HydrophobicContact CG1-CG 4.18Å; V1722-L1727 WeakPolarHBondContact O-CB 3.24Å; V1722-L1727 WeakPolarHBondContact O-CG 3.33Å; V1722-L1727 PolarHBondContact O-N 3.02Å; V1722-L1727 VanDerWaalsContact O-N 3.08Å; K1723-L1727 HydrophobicContact CB-CD1 4.45Å; K1723-L1727 HydrophobicContact CG-CD1 4.16Å; K1723-L1727 CarbonylContact O-C 3.56Å; K1723-L1727 WeakPolarHBondContact O-CA 3.46Å; K1723-L1727 WeakPolarHBondContact O-CB 3.4Å; K1723-L1727 WeakPolarHBondContact O-CD1 3.28Å; K1723-L1727 WeakPolarHBondContact O-CG 3.1Å; K1723-L1727 PolarHBondContact O-N 3.02Å; Y1725-L1727 PolarHBondContact O-N 2.91Å; L1727-S1729 PolarHBondContact O-N 3.08Å; L1727-I1731 HydrophobicContact CB-CD1 3.97Å; L1727-I1731 HydrophobicContact CD1-CD1 3.96Å; L1727-I1731 HydrophobicContact CD2-CD1 4.08Å; L1727-I1731 HydrophobicContact CD2-CG1 4.42Å; L1727-I1731 HydrophobicContact CG-CD1 4.25Å; L1727-L1956 HydrophobicContact CD2-CB 4.2Å; L1727-L1956 HydrophobicContact CD2-CD1 4.24Å | ||
| 1728 | K | 40 | Very low | 43.4 | Very low | 145 Ų | 145 | 86.2 Ų | 86.2 | 63% | 0.63 | 44% | 0.44 | S | S | * | . | trans | -106.9 | 12.5 | -172.2 | -141.5 | 175.8 | -175.9 | 176.8 | 0 | 114.1 | N1491 K1723 N1724 Y1725 N1730 | N1491-K1728 PolarHBondContact ND2-N 3.02Å; N1491-K1728 PolarHBondContact OD1-N 3.45Å; K1723-K1728 WeakPolarHBondContact O-CB 3.48Å; K1723-K1728 PolarHBondContact O-N 2.79Å; N1724-K1728 WeakPolarHBondContact OD1-CD 3.15Å; N1724-K1728 WeakPolarHBondContact OD1-CE 3.32Å; N1724-K1728 PolarHBondContact OD1-NZ 3.28Å; Y1725-K1728 PolarHBondContact O-N 3.4Å; K1728-N1730 PolarHBondContact O-N 3.18Å | ||
| 1729 | S | 35.2 | Very low | 42.7 | Very low | 65.8 Ų | 65.8 | 87.7 Ų | 87.7 | 46% | 0.46 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -90.8 | 112.7 | 180 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | W1726 L1727 I1731 T1734 | W1726-S1729 PolarHBondContact O-OG 2.96Å; L1727-S1729 PolarHBondContact O-N 3.08Å; S1729-I1731 WeakPolarHBondContact O-CG1 3.41Å; S1729-I1731 PolarHBondContact O-N 3.07Å; S1729-T1734 WeakPolarHBondContact CB-OG1 3.45Å |
| 1730 | N | 34.9 | Very low | 42.1 | Very low | 133.2 Ų | 133.2 | 87.3 Ų | 87.3 | 71% | 0.712 | 44% | 0.438 | S | S | * | . | trans | -61.8 | 93.7 | -167.7 | -140.1 | -13.2 | 0 | 0 | 0 | 114.8 | K1728 K1732 S1733 T1734 | K1728-N1730 PolarHBondContact O-N 3.18Å; N1730-K1732 PolarHBondContact O-N 3.22Å; N1730-S1733 PolarHBondContact O-N 3.03Å; N1730-S1733 VanDerWaalsContact O-N 3.13Å; N1730-S1733 PolarHBondContact O-OG 3Å; N1730-T1734 PolarHBondContact O-OG1 3.02Å | ||
| 1731 | I | 37.1 | Very low | 41.6 | Very low | 99.6 Ų | 99.6 | 84.8 Ų | 84.8 | 51% | 0.511 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.8 | -5.1 | -166.9 | -60.5 | 171.3 | 0 | 0 | 0 | 113.8 | L1494 L1727 S1729 S1733 T1734 F1735 | L1494-I1731 HydrophobicContact CB-CD1 3.98Å; L1727-I1731 HydrophobicContact CB-CD1 3.97Å; L1727-I1731 HydrophobicContact CD1-CD1 3.96Å; L1727-I1731 HydrophobicContact CD2-CD1 4.08Å; L1727-I1731 HydrophobicContact CD2-CG1 4.42Å; L1727-I1731 HydrophobicContact CG-CD1 4.25Å; S1729-I1731 WeakPolarHBondContact O-CG1 3.41Å; S1729-I1731 PolarHBondContact O-N 3.07Å; I1731-S1733 PolarHBondContact O-N 3.05Å; I1731-T1734 VanDerWaalsContact CB-OG1 3.32Å; I1731-T1734 WeakPolarHBondContact CB-OG1 2.91Å; I1731-T1734 WeakPolarHBondContact CG2-OG1 3.32Å; I1731-T1734 PolarHBondContact O-N 3.04Å; I1731-T1734 PolarHBondContact O-OG1 3.01Å; I1731-F1735 HydrophobicContact CG2-CD2 3.65Å; I1731-F1735 HydrophobicContact CG2-CE2 4.17Å; I1731-F1735 HydrophobicContact CG2-CG 4.48Å; I1731-F1735 PolarHBondContact O-N 3.11Å |
| 1732 | K | 36.4 | Very low | 40.8 | Very low | 171.8 Ų | 171.8 | 82.3 Ų | 82.3 | 75% | 0.747 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -22.6 | -177.3 | -72.1 | -172.3 | 174.5 | -174.3 | 0 | 114.7 | N1730 T1734 I1766 | N1730-K1732 PolarHBondContact O-N 3.22Å; K1732-T1734 VanDerWaalsContact C-N 3.28Å; K1732-T1734 PolarHBondContact O-N 3.07Å; K1732-I1766 VanDerWaalsContact NZ-CD1 3.33Å |
| 1733 | S | 38.5 | Very low | 40.2 | Very low | 63 Ų | 63 | 86.7 Ų | 86.7 | 44% | 0.441 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -29 | -179.2 | 53 | 0 | 0 | 0 | 0 | 113.7 | N1730 I1731 F1735 G1736 N1737 E1961 | N1730-S1733 PolarHBondContact O-N 3.03Å; N1730-S1733 VanDerWaalsContact O-N 3.13Å; N1730-S1733 PolarHBondContact O-OG 3Å; I1731-S1733 PolarHBondContact O-N 3.05Å; S1733-F1735 VanDerWaalsContact C-N 3.31Å; S1733-F1735 PolarHBondContact O-N 2.89Å; S1733-G1736 PolarHBondContact O-N 3.02Å; S1733-G1736 VanDerWaalsContact O-N 3.13Å; S1733-N1737 VanDerWaalsContact O-CB 3.31Å; S1733-N1737 WeakPolarHBondContact O-CB 2.83Å; S1733-N1737 VanDerWaalsContact O-CG 3.23Å; S1733-N1737 PolarHBondContact O-N 3.16Å; S1733-N1737 PolarHBondContact O-ND2 3.02Å; S1733-N1737 VanDerWaalsContact O-ND2 3.13Å; S1733-N1737 PolarHBondContact OG-ND2 2.78Å; S1733-N1737 VanDerWaalsContact OG-ND2 3.15Å; S1733-E1961 WeakPolarHBondContact CA-OE1 3.37Å; S1733-E1961 PolarHBondContact N-OE1 2.62Å |
| 1734 | T | 39.4 | Very low | 39.6 | Very low | 51.8 Ų | 51.8 | 85.4 Ų | 85.4 | 32% | 0.318 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | -172.1 | -42.1 | 0 | 0 | 0 | 0 | 112.6 | L1494 S1729 N1730 I1731 K1732 G1736 N1737 L1738 Y1953 | L1494-T1734 HydrophobicContact CB-CG2 4.26Å; L1494-T1734 HydrophobicContact CD2-CG2 3.82Å; L1494-T1734 HydrophobicContact CG-CG2 4.48Å; S1729-T1734 WeakPolarHBondContact CB-OG1 3.45Å; N1730-T1734 PolarHBondContact O-OG1 3.02Å; I1731-T1734 VanDerWaalsContact CB-OG1 3.32Å; I1731-T1734 WeakPolarHBondContact CB-OG1 2.91Å; I1731-T1734 WeakPolarHBondContact CG2-OG1 3.32Å; I1731-T1734 PolarHBondContact O-N 3.04Å; I1731-T1734 PolarHBondContact O-OG1 3.01Å; K1732-T1734 VanDerWaalsContact C-N 3.28Å; K1732-T1734 PolarHBondContact O-N 3.07Å; T1734-G1736 VanDerWaalsContact C-N 3.27Å; T1734-G1736 PolarHBondContact O-N 3.14Å; T1734-N1737 PolarHBondContact O-N 3.3Å; T1734-L1738 HydrophobicContact CG2-CD1 4.17Å; T1734-L1738 HydrophobicContact CG2-CG 4.48Å; T1734-L1738 WeakPolarHBondContact O-CD1 3.15Å; T1734-L1738 WeakPolarHBondContact O-CG 3.41Å; T1734-L1738 PolarHBondContact O-N 3.17Å; T1734-L1738 VanDerWaalsContact O-N 3.15Å; T1734-Y1953 WeakPolarHBondContact CB-OH 3.38Å; T1734-Y1953 HydrophobicContact CG2-CD2 4.21Å; T1734-Y1953 HydrophobicContact CG2-CE1 4.17Å; T1734-Y1953 HydrophobicContact CG2-CE2 3.71Å |
| 1735 | F | 38.2 | Very low | 39.2 | Very low | 98.6 Ų | 98.6 | 85.1 Ų | 85.1 | 43% | 0.432 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66 | -40 | 177.2 | -121.3 | -86.8 | 0 | 0 | 0 | 112.6 | L1680 I1731 S1733 N1737 L1738 F1739 I1950 H1954 E1961 F1962 F1965 L2056 | L1680-F1735 HydrophobicContact CD2-CE1 4.06Å; L1680-F1735 HydrophobicContact CD2-CZ 4.15Å; I1731-F1735 HydrophobicContact CG2-CD2 3.65Å; I1731-F1735 HydrophobicContact CG2-CE2 4.17Å; I1731-F1735 HydrophobicContact CG2-CG 4.48Å; I1731-F1735 PolarHBondContact O-N 3.11Å; S1733-F1735 VanDerWaalsContact C-N 3.31Å; S1733-F1735 PolarHBondContact O-N 2.89Å; F1735-N1737 VanDerWaalsContact C-N 3.33Å; F1735-N1737 PolarHBondContact O-N 3.07Å; F1735-L1738 PolarHBondContact O-N 3.34Å; F1735-F1739 HydrophobicContact CD1-CD2 4.22Å; F1735-F1739 AromaticContact CD1-CE2 3.74Å; F1735-F1739 HydrophobicContact CD1-CE2 3.91Å; F1735-F1739 HydrophobicContact CE1-CE2 4.01Å; F1735-F1739 WeakPolarHBondContact O-CB 3.24Å; F1735-F1739 VanDerWaalsContact O-CD2 3.24Å; F1735-F1739 WeakPolarHBondContact O-CD2 3.28Å; F1735-F1739 PolarHBondContact O-N 3Å; F1735-F1739 VanDerWaalsContact O-N 3.09Å; F1735-I1950 HydrophobicContact CD2-CG2 4.15Å; F1735-I1950 HydrophobicContact CE1-CG2 4.3Å; F1735-I1950 HydrophobicContact CE2-CG2 3.42Å; F1735-I1950 VanDerWaalsContact CE2-CG2 3.42Å; F1735-I1950 HydrophobicContact CZ-CG2 3.47Å; F1735-I1950 VanDerWaalsContact CZ-CG2 3.47Å; F1735-H1954 HydrophobicContact CE2-CB 4.44Å; F1735-E1961 HydrophobicContact CB-CB 4.11Å; F1735-E1961 WeakPolarHBondContact CB-OE2 3.43Å; F1735-E1961 PolarHBondContact N-OE2 3.03Å; F1735-F1962 AromaticContact CE1-CD2 3.77Å; F1735-F1962 HydrophobicContact CE1-CD2 3.77Å; F1735-F1962 HydrophobicContact CE1-CE2 4.43Å; F1735-F1962 HydrophobicContact CE2-CB 4.25Å; F1735-F1962 HydrophobicContact CE2-CD2 4.05Å; F1735-F1962 HydrophobicContact CE2-CG 4.48Å; F1735-F1962 HydrophobicContact CZ-CB 4.3Å; F1735-F1962 AromaticContact CZ-CD2 3.31Å; F1735-F1962 HydrophobicContact CZ-CD2 3.31Å; F1735-F1962 AromaticContact CZ-CE2 3.99Å; F1735-F1962 HydrophobicContact CZ-CE2 3.99Å; F1735-F1962 HydrophobicContact CZ-CG 4.16Å; F1735-F1965 HydrophobicContact CD1-CB 4.24Å; F1735-F1965 HydrophobicContact CD1-CD1 4.32Å; F1735-F1965 HydrophobicContact CD1-CD2 4.32Å; F1735-F1965 HydrophobicContact CD1-CG 4.04Å; F1735-F1965 HydrophobicContact CE1-CB 4.36Å; F1735-F1965 AromaticContact CE1-CD1 3.73Å; F1735-F1965 HydrophobicContact CE1-CD1 3.73Å; F1735-F1965 HydrophobicContact CE1-CD2 4.44Å; F1735-F1965 HydrophobicContact CE1-CE1 4.1Å; F1735-F1965 AromaticContact CE1-CG 3.92Å; F1735-F1965 HydrophobicContact CE1-CG 3.92Å; F1735-L2056 HydrophobicContact CE2-CD1 4.48Å; F1735-L2056 HydrophobicContact CE2-CD2 4.47Å; F1735-L2056 HydrophobicContact CZ-CD2 4.21Å |
| 1736 | G | 38.7 | Very low | 38.7 | Very low | 31.2 Ų | 31.2 | 84 Ų | 84 | 32% | 0.322 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1733 T1734 L1738 F1739 L1740 M1974 | S1733-G1736 PolarHBondContact O-N 3.02Å; S1733-G1736 VanDerWaalsContact O-N 3.13Å; T1734-G1736 VanDerWaalsContact C-N 3.27Å; T1734-G1736 PolarHBondContact O-N 3.14Å; G1736-L1738 VanDerWaalsContact C-N 3.32Å; G1736-L1738 PolarHBondContact O-N 3.27Å; G1736-F1739 PolarHBondContact O-N 3.21Å; G1736-L1740 WeakPolarHBondContact O-CB 3.36Å; G1736-L1740 PolarHBondContact O-N 3.18Å; G1736-L1740 VanDerWaalsContact O-N 3.15Å; G1736-M1974 VanDerWaalsContact C-CE 3.48Å; G1736-M1974 WeakPolarHBondContact O-CE 3.42Å |
| 1737 | N | 39.1 | Very low | 38.2 | Very low | 83.8 Ų | 83.8 | 85.6 Ų | 85.6 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 179.1 | -67.9 | -11.6 | 0 | 0 | 0 | 112.5 | V1500 S1733 T1734 F1735 F1739 L1740 T1741 | V1500-N1737 HydrophobicContact CG2-CB 4.37Å; S1733-N1737 VanDerWaalsContact O-CB 3.31Å; S1733-N1737 WeakPolarHBondContact O-CB 2.83Å; S1733-N1737 VanDerWaalsContact O-CG 3.23Å; S1733-N1737 PolarHBondContact O-N 3.16Å; S1733-N1737 PolarHBondContact O-ND2 3.02Å; S1733-N1737 VanDerWaalsContact O-ND2 3.13Å; S1733-N1737 PolarHBondContact OG-ND2 2.78Å; S1733-N1737 VanDerWaalsContact OG-ND2 3.15Å; T1734-N1737 PolarHBondContact O-N 3.3Å; F1735-N1737 VanDerWaalsContact C-N 3.33Å; F1735-N1737 PolarHBondContact O-N 3.07Å; N1737-F1739 VanDerWaalsContact C-N 3.31Å; N1737-F1739 PolarHBondContact O-N 3.04Å; N1737-L1740 PolarHBondContact O-N 3.1Å; N1737-T1741 WeakPolarHBondContact O-CB 3.48Å; N1737-T1741 WeakPolarHBondContact O-CG2 3.35Å; N1737-T1741 PolarHBondContact O-N 2.95Å; N1737-T1741 PolarHBondContact O-OG1 2.89Å; N1737-T1741 VanDerWaalsContact O-OG1 3.05Å |
| 1738 | L | 40.1 | Very low | 37.6 | Very low | 69 Ų | 69 | 85 Ų | 85 | 36% | 0.361 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 174.8 | -106.9 | 102.4 | 0 | 0 | 0 | 112.5 | L1494 L1499 I1562 L1702 T1734 F1735 G1736 T1741 G1742 C1949 I1950 | L1494-L1738 HydrophobicContact CD2-CD1 4.4Å; L1499-L1738 HydrophobicContact CD1-CD2 4.07Å; L1499-L1738 HydrophobicContact CD2-CD2 4.39Å; I1562-L1738 HydrophobicContact CD1-CD2 4.24Å; L1702-L1738 HydrophobicContact CD1-CD2 4.29Å; T1734-L1738 HydrophobicContact CG2-CD1 4.17Å; T1734-L1738 HydrophobicContact CG2-CG 4.48Å; T1734-L1738 WeakPolarHBondContact O-CD1 3.15Å; T1734-L1738 WeakPolarHBondContact O-CG 3.41Å; T1734-L1738 PolarHBondContact O-N 3.17Å; T1734-L1738 VanDerWaalsContact O-N 3.15Å; F1735-L1738 PolarHBondContact O-N 3.34Å; G1736-L1738 VanDerWaalsContact C-N 3.32Å; G1736-L1738 PolarHBondContact O-N 3.27Å; L1738-T1741 PolarHBondContact O-OG1 3.26Å; L1738-G1742 PolarHBondContact O-N 3.2Å; L1738-C1949 HydrophobicContact CD1-CB 4.36Å; L1738-C1949 HydrophobicContact CD2-CB 4.2Å; L1738-I1950 HydrophobicContact CB-CD1 4.32Å; L1738-I1950 HydrophobicContact CB-CG1 3.86Å; L1738-I1950 HydrophobicContact CD1-CG1 4.38Å |
| 1739 | F | 39 | Very low | 37.2 | Very low | 83.8 Ų | 83.8 | 82.2 Ų | 82.2 | 37% | 0.368 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.2 | -42.5 | 178.7 | -117.7 | -84.8 | 0 | 0 | 0 | 111.9 | L1679 L1695 F1735 G1736 N1737 T1741 G1742 W1743 L1947 I1950 F1965 L2033 L2034 L2037 | L1679-F1739 HydrophobicContact CD1-CZ 4.49Å; L1679-F1739 HydrophobicContact CD2-CZ 3.84Å; L1679-F1739 HydrophobicContact CG-CZ 4.15Å; L1695-F1739 HydrophobicContact CD2-CD1 4.27Å; L1695-F1739 HydrophobicContact CD2-CE1 3.81Å; L1695-F1739 HydrophobicContact CD2-CZ 4.18Å; F1735-F1739 HydrophobicContact CD1-CD2 4.22Å; F1735-F1739 AromaticContact CD1-CE2 3.74Å; F1735-F1739 HydrophobicContact CD1-CE2 3.91Å; F1735-F1739 HydrophobicContact CE1-CE2 4.01Å; F1735-F1739 WeakPolarHBondContact O-CB 3.24Å; F1735-F1739 VanDerWaalsContact O-CD2 3.24Å; F1735-F1739 WeakPolarHBondContact O-CD2 3.28Å; F1735-F1739 PolarHBondContact O-N 3Å; F1735-F1739 VanDerWaalsContact O-N 3.09Å; G1736-F1739 PolarHBondContact O-N 3.21Å; N1737-F1739 VanDerWaalsContact C-N 3.31Å; N1737-F1739 PolarHBondContact O-N 3.04Å; F1739-T1741 VanDerWaalsContact C-N 3.26Å; F1739-T1741 PolarHBondContact O-N 3.11Å; F1739-G1742 PolarHBondContact O-N 3.28Å; F1739-W1743 WeakPolarHBondContact O-CB 3.45Å; F1739-W1743 PolarHBondContact O-N 3.19Å; F1739-W1743 VanDerWaalsContact O-N 3.12Å; F1739-L1947 HydrophobicContact CE2-CD2 4.4Å; F1739-I1950 HydrophobicContact CB-CD1 3.89Å; F1739-I1950 HydrophobicContact CD2-CD1 3.75Å; F1739-I1950 HydrophobicContact CG-CD1 4.15Å; F1739-F1965 HydrophobicContact CB-CE2 3.88Å; F1739-F1965 HydrophobicContact CB-CZ 3.94Å; F1739-F1965 HydrophobicContact CD1-CE2 4.25Å; F1739-F1965 AromaticContact CD1-CZ 3.76Å; F1739-F1965 HydrophobicContact CD1-CZ 3.76Å; F1739-F1965 AromaticContact CD2-CE1 3.74Å; F1739-F1965 HydrophobicContact CD2-CE1 3.74Å; F1739-F1965 HydrophobicContact CD2-CE2 4.13Å; F1739-F1965 AromaticContact CD2-CZ 3.31Å; F1739-F1965 HydrophobicContact CD2-CZ 3.31Å; F1739-F1965 HydrophobicContact CE1-CZ 4.13Å; F1739-F1965 AromaticContact CE2-CE1 3.89Å; F1739-F1965 HydrophobicContact CE2-CE1 3.89Å; F1739-F1965 AromaticContact CE2-CZ 3.68Å; F1739-F1965 HydrophobicContact CE2-CZ 3.68Å; F1739-F1965 HydrophobicContact CG-CE1 4.25Å; F1739-F1965 AromaticContact CG-CE2 3.81Å; F1739-F1965 HydrophobicContact CG-CE2 3.81Å; F1739-F1965 AromaticContact CG-CZ 3.35Å; F1739-F1965 HydrophobicContact CG-CZ 3.35Å; F1739-F1965 HydrophobicContact CZ-CZ 4.07Å; F1739-L2033 HydrophobicContact CD1-CB 4.32Å; F1739-L2033 HydrophobicContact CD1-CD1 3.63Å; F1739-L2033 HydrophobicContact CE1-CB 3.55Å; F1739-L2033 HydrophobicContact CE1-CD1 3.72Å; F1739-L2033 HydrophobicContact CE1-CG 4.23Å; F1739-L2033 HydrophobicContact CZ-CB 3.89Å; F1739-L2034 HydrophobicContact CE2-CD2 3.6Å; F1739-L2034 HydrophobicContact CE2-CG 4.35Å; F1739-L2034 HydrophobicContact CZ-CD2 3.73Å; F1739-L2034 HydrophobicContact CZ-CG 4.36Å; F1739-L2037 HydrophobicContact CE1-CD1 4.05Å; F1739-L2037 HydrophobicContact CE2-CD1 4.46Å; F1739-L2037 HydrophobicContact CZ-CD1 3.55Å |
| 1740 | L | 38.4 | Very low | 36.9 | Very low | 70 Ų | 70 | 85.8 Ų | 85.8 | 37% | 0.366 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 178.4 | -105.6 | 123.5 | 0 | 0 | 0 | 112.3 | G1736 N1737 G1742 W1743 Q1744 P1752 M1974 | G1736-L1740 WeakPolarHBondContact O-CB 3.36Å; G1736-L1740 PolarHBondContact O-N 3.18Å; G1736-L1740 VanDerWaalsContact O-N 3.15Å; N1737-L1740 PolarHBondContact O-N 3.1Å; L1740-G1742 PolarHBondContact O-N 3.04Å; L1740-W1743 PolarHBondContact O-N 3.2Å; L1740-W1743 VanDerWaalsContact O-N 3.17Å; L1740-Q1744 HydrophobicContact CD2-CG 4.39Å; L1740-Q1744 VanDerWaalsContact CD2-NE2 3.26Å; L1740-Q1744 HydrophobicContact CG-CG 4.13Å; L1740-Q1744 VanDerWaalsContact O-CB 3.27Å; L1740-Q1744 WeakPolarHBondContact O-CB 3.32Å; L1740-Q1744 VanDerWaalsContact O-CG 3.25Å; L1740-Q1744 WeakPolarHBondContact O-CG 3.33Å; L1740-Q1744 PolarHBondContact O-N 3.37Å; L1740-Q1744 PolarHBondContact O-OE1 2.83Å; L1740-P1752 HydrophobicContact CD1-CB 3.74Å; L1740-P1752 HydrophobicContact CD1-CG 4.12Å; L1740-P1752 HydrophobicContact CD2-CB 3.76Å; L1740-P1752 HydrophobicContact CD2-CG 4.17Å; L1740-P1752 HydrophobicContact CG-CB 4.39Å; L1740-M1974 HydrophobicContact CB-CE 3.88Å; L1740-M1974 HydrophobicContact CD1-CE 4.36Å; L1740-M1974 HydrophobicContact CD2-CE 3.82Å; L1740-M1974 HydrophobicContact CD2-CG 3.56Å; L1740-M1974 HydrophobicContact CG-CE 4.24Å |
| 1741 | T | 39.7 | Very low | 36.7 | Very low | 50 Ų | 50 | 84.2 Ų | 84.2 | 31% | 0.307 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.9 | -30.8 | -175.9 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | L1499 F1555 Q1559 H1704 N1737 L1738 F1739 W1743 T1745 | L1499-T1741 HydrophobicContact CB-CG2 4.3Å; L1499-T1741 HydrophobicContact CD2-CG2 4.14Å; L1499-T1741 WeakPolarHBondContact O-CG2 3.47Å; F1555-T1741 HydrophobicContact CD1-CG2 4.03Å; F1555-T1741 HydrophobicContact CE1-CG2 3.47Å; F1555-T1741 VanDerWaalsContact CE1-CG2 3.47Å; F1555-T1741 HydrophobicContact CZ-CG2 4.31Å; Q1559-T1741 PolarHBondContact NE2-OG1 3.28Å; Q1559-T1741 VanDerWaalsContact NE2-OG1 3.1Å; H1704-T1741 WeakPolarHBondContact CD2-CB 2.92Å; H1704-T1741 PolarHBondContact CD2-OG1 3.43Å; H1704-T1741 VanDerWaalsContact NE2-CB 3.27Å; H1704-T1741 WeakPolarHBondContact NE2-CB 3.14Å; H1704-T1741 PolarHBondContact NE2-OG1 2.57Å; N1737-T1741 WeakPolarHBondContact O-CB 3.48Å; N1737-T1741 WeakPolarHBondContact O-CG2 3.35Å; N1737-T1741 PolarHBondContact O-N 2.95Å; N1737-T1741 PolarHBondContact O-OG1 2.89Å; N1737-T1741 VanDerWaalsContact O-OG1 3.05Å; L1738-T1741 PolarHBondContact O-OG1 3.26Å; F1739-T1741 VanDerWaalsContact C-N 3.26Å; F1739-T1741 PolarHBondContact O-N 3.11Å; T1741-W1743 VanDerWaalsContact C-N 3.31Å; T1741-W1743 PolarHBondContact O-N 3.18Å; T1741-T1745 WeakPolarHBondContact O-CB 3.3Å; T1741-T1745 VanDerWaalsContact O-CG2 3.27Å; T1741-T1745 WeakPolarHBondContact O-CG2 3.29Å; T1741-T1745 PolarHBondContact O-N 2.99Å; T1741-T1745 VanDerWaalsContact O-N 3.1Å; T1741-T1745 PolarHBondContact O-OG1 3.2Å |
| 1742 | G | 37.6 | Very low | 36.3 | Very low | 20.2 Ų | 20.2 | 83.7 Ų | 83.7 | 21% | 0.208 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -76.8 | -31.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1700 L1738 F1739 L1740 Q1744 T1745 R1746 I1943 | F1700-G1742 VanDerWaalsContact CE2-CA 3.5Å; F1700-G1742 WeakPolarHBondContact CE2-O 3.46Å; F1700-G1742 VanDerWaalsContact CZ-C 3.45Å; L1738-G1742 PolarHBondContact O-N 3.2Å; F1739-G1742 PolarHBondContact O-N 3.28Å; L1740-G1742 PolarHBondContact O-N 3.04Å; G1742-Q1744 PolarHBondContact O-N 2.72Å; G1742-T1745 WeakPolarHBondContact CA-OG1 3.36Å; G1742-T1745 PolarHBondContact O-N 2.94Å; G1742-T1745 PolarHBondContact O-OG1 3.28Å; G1742-R1746 PolarHBondContact O-N 3.13Å; G1742-I1943 WeakPolarHBondContact O-CG1 3.43Å |
| 1743 | W | 37.7 | Very low | 35.9 | Very low | 115.8 Ų | 115.8 | 81.3 Ų | 81.3 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -75 | -43.7 | 172.4 | -119.2 | 49.6 | 0 | 0 | 0 | 112.2 | F1739 L1740 T1741 T1745 R1746 Y1747 F1759 L1978 N1981 L2028 L2033 D2036 | F1739-W1743 WeakPolarHBondContact O-CB 3.45Å; F1739-W1743 PolarHBondContact O-N 3.19Å; F1739-W1743 VanDerWaalsContact O-N 3.12Å; L1740-W1743 PolarHBondContact O-N 3.2Å; L1740-W1743 VanDerWaalsContact O-N 3.17Å; T1741-W1743 VanDerWaalsContact C-N 3.31Å; T1741-W1743 PolarHBondContact O-N 3.18Å; W1743-T1745 VanDerWaalsContact C-N 3.28Å; W1743-T1745 PolarHBondContact O-N 2.98Å; W1743-R1746 WeakPolarHBondContact O-CA 3.48Å; W1743-R1746 WeakPolarHBondContact O-CB 3.36Å; W1743-R1746 PolarHBondContact O-N 3.24Å; W1743-R1746 VanDerWaalsContact O-N 3.11Å; W1743-Y1747 AromaticContact CD1-CD2 3.65Å; W1743-Y1747 AromaticContact CD1-CE2 3.71Å; W1743-Y1747 HydrophobicContact CD2-CD2 4.07Å; W1743-Y1747 AromaticContact CE2-CD2 3.44Å; W1743-Y1747 VanDerWaalsContact CE2-CD2 3.44Å; W1743-Y1747 AromaticContact CE2-CE2 3.95Å; W1743-Y1747 HydrophobicContact CG-CD2 4.21Å; W1743-Y1747 AromaticContact CZ2-CD2 3.88Å; W1743-Y1747 HydrophobicContact CZ2-CD2 3.88Å; W1743-Y1747 HydrophobicContact CZ2-CE2 4.47Å; W1743-Y1747 HydrophobicContact CZ2-CG 4.35Å; W1743-Y1747 AromaticContact NE1-CD2 3.18Å; W1743-Y1747 AromaticContact NE1-CE2 3.22Å; W1743-Y1747 PolarHBondContact O-N 3.01Å; W1743-Y1747 VanDerWaalsContact O-N 3.14Å; W1743-F1759 AromaticContact CH2-CD2 3.92Å; W1743-F1759 HydrophobicContact CH2-CD2 3.92Å; W1743-F1759 HydrophobicContact CH2-CE1 4.26Å; W1743-F1759 AromaticContact CH2-CE2 3.42Å; W1743-F1759 HydrophobicContact CH2-CE2 3.42Å; W1743-F1759 VanDerWaalsContact CH2-CE2 3.42Å; W1743-F1759 AromaticContact CH2-CZ 3.6Å; W1743-F1759 HydrophobicContact CH2-CZ 3.6Å; W1743-F1759 HydrophobicContact CZ2-CE1 4.4Å; W1743-F1759 AromaticContact CZ2-CE2 3.97Å; W1743-F1759 HydrophobicContact CZ2-CE2 3.97Å; W1743-F1759 AromaticContact CZ2-CZ 3.72Å; W1743-F1759 HydrophobicContact CZ2-CZ 3.72Å; W1743-F1759 HydrophobicContact CZ3-CE2 4.47Å; W1743-L1978 HydrophobicContact CZ3-CD1 4.35Å; W1743-N1981 VanDerWaalsContact CE2-ND2 3.31Å; W1743-N1981 HydrophobicContact CH2-CB 3.8Å; W1743-N1981 HydrophobicContact CZ2-CB 3.96Å; W1743-N1981 WeakPolarHBondContact CZ2-ND2 3.31Å; W1743-N1981 HydrophobicContact CZ3-CB 4.49Å; W1743-L2028 HydrophobicContact CE3-CD2 4.39Å; W1743-L2028 HydrophobicContact CH2-CD2 3.48Å; W1743-L2028 VanDerWaalsContact CH2-CD2 3.48Å; W1743-L2028 HydrophobicContact CZ2-CD2 3.68Å; W1743-L2028 HydrophobicContact CZ3-CD2 3.87Å; W1743-L2033 HydrophobicContact CB-CD2 4.19Å; W1743-L2033 HydrophobicContact CD2-CD2 3.55Å; W1743-L2033 HydrophobicContact CE3-CD2 4.34Å; W1743-L2033 HydrophobicContact CG-CD2 3.46Å; W1743-L2033 VanDerWaalsContact CG-CD2 3.46Å; W1743-L2033 HydrophobicContact CZ2-CD2 4.29Å; W1743-L2033 VanDerWaalsContact NE1-CD2 3.33Å; W1743-D2036 PolarHBondContact NE1-OD2 3Å |
| 1744 | Q | 37.1 | Very low | 35.5 | Very low | 69.4 Ų | 69.4 | 84.1 Ų | 84.1 | 32% | 0.324 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.5 | -33.9 | 176.6 | -75.2 | 175.4 | -20.9 | 0 | 0 | 112.6 | L1740 G1742 R1746 G1748 C1749 L1978 | L1740-Q1744 HydrophobicContact CD2-CG 4.39Å; L1740-Q1744 VanDerWaalsContact CD2-NE2 3.26Å; L1740-Q1744 HydrophobicContact CG-CG 4.13Å; L1740-Q1744 VanDerWaalsContact O-CB 3.27Å; L1740-Q1744 WeakPolarHBondContact O-CB 3.32Å; L1740-Q1744 VanDerWaalsContact O-CG 3.25Å; L1740-Q1744 WeakPolarHBondContact O-CG 3.33Å; L1740-Q1744 PolarHBondContact O-N 3.37Å; L1740-Q1744 PolarHBondContact O-OE1 2.83Å; G1742-Q1744 PolarHBondContact O-N 2.72Å; Q1744-R1746 VanDerWaalsContact C-N 3.28Å; Q1744-R1746 PolarHBondContact O-N 3.14Å; Q1744-G1748 VanDerWaalsContact O-CA 3.3Å; Q1744-G1748 WeakPolarHBondContact O-CA 3.37Å; Q1744-G1748 PolarHBondContact O-N 3Å; Q1744-G1748 VanDerWaalsContact O-N 3.16Å; Q1744-C1749 VanDerWaalsContact CG-O 3.3Å; Q1744-C1749 WeakPolarHBondContact CG-O 3.4Å; Q1744-L1978 HydrophobicContact CG-CD2 3.98Å |
| 1745 | T | 39.6 | Very low | 35 | Very low | 68.6 Ų | 68.6 | 89.3 Ų | 89.3 | 42% | 0.421 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -76.5 | -19.5 | 177.6 | 55.4 | 0 | 0 | 0 | 0 | 114.6 | I1552 F1555 L1703 T1741 G1742 W1743 Q1939 V1942 | I1552-T1745 HydrophobicContact CG1-CG2 4.11Å; F1555-T1745 HydrophobicContact CD2-CG2 4.23Å; L1703-T1745 HydrophobicContact CD2-CG2 4.24Å; L1703-T1745 WeakPolarHBondContact CD2-OG1 3.47Å; T1741-T1745 WeakPolarHBondContact O-CB 3.3Å; T1741-T1745 VanDerWaalsContact O-CG2 3.27Å; T1741-T1745 WeakPolarHBondContact O-CG2 3.29Å; T1741-T1745 PolarHBondContact O-N 2.99Å; T1741-T1745 VanDerWaalsContact O-N 3.1Å; T1741-T1745 PolarHBondContact O-OG1 3.2Å; G1742-T1745 WeakPolarHBondContact CA-OG1 3.36Å; G1742-T1745 PolarHBondContact O-N 2.94Å; G1742-T1745 PolarHBondContact O-OG1 3.28Å; W1743-T1745 VanDerWaalsContact C-N 3.28Å; W1743-T1745 PolarHBondContact O-N 2.98Å; T1745-Q1939 VanDerWaalsContact O-CD 3.26Å; T1745-Q1939 WeakPolarHBondContact O-CG 3.34Å; T1745-Q1939 PolarHBondContact O-NE2 3.24Å; T1745-V1942 HydrophobicContact CG2-CB 4.28Å; T1745-V1942 HydrophobicContact CG2-CG1 3.89Å; T1745-V1942 HydrophobicContact CG2-CG2 4.34Å |
| 1746 | R | 35.4 | Very low | 34.5 | Very low | 122.2 Ų | 122.2 | 90.3 Ų | 90.3 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -91.2 | -31.3 | 176.9 | -113.6 | -176.9 | -178.8 | -179.7 | 1.9 | 113.8 | Y1684 L1686 G1697 G1742 W1743 Q1744 I1943 E1945 D2036 | Y1684-R1746 PolarHBondContact OH-NH2 3.08Å; L1686-R1746 VanDerWaalsContact CD2-NH2 3.28Å; G1697-R1746 PolarHBondContact O-NH2 3.02Å; G1697-R1746 VanDerWaalsContact O-NH2 3.09Å; G1742-R1746 PolarHBondContact O-N 3.13Å; W1743-R1746 WeakPolarHBondContact O-CA 3.48Å; W1743-R1746 WeakPolarHBondContact O-CB 3.36Å; W1743-R1746 PolarHBondContact O-N 3.24Å; W1743-R1746 VanDerWaalsContact O-N 3.11Å; Q1744-R1746 VanDerWaalsContact C-N 3.28Å; Q1744-R1746 PolarHBondContact O-N 3.14Å; R1746-I1943 HydrophobicContact CB-CD1 4.05Å; R1746-I1943 HydrophobicContact CG-CD1 4.35Å; R1746-E1945 IonicContact CZ-OE1 2.72Å; R1746-E1945 IonicContact CZ-OE2 3.13Å; R1746-E1945 IonicContact NH1-OE1 2.96Å; R1746-E1945 PolarHBondContact NH1-OE1 3.19Å; R1746-E1945 VanDerWaalsContact NH1-OE1 3.14Å; R1746-E1945 IonicContact NH1-OE2 2.79Å; R1746-E1945 PolarHBondContact NH1-OE2 2.91Å; R1746-E1945 IonicContact NH2-OE1 3.13Å; R1746-E1945 PolarHBondContact NH2-OE1 3.27Å; R1746-E1945 IonicContact NH2-OE2 3.8Å; R1746-D2036 VanDerWaalsContact CZ-O 3.3Å; R1746-D2036 PolarHBondContact NH1-O 2.85Å; R1746-D2036 PolarHBondContact NH2-O 3.22Å |
| 1747 | Y | 35.2 | Very low | 34.1 | Very low | 121.6 Ų | 121.6 | 96.2 Ų | 96.2 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -122.4 | 5.9 | -170.8 | -62.2 | -72.4 | 0 | 0 | 0 | 114.8 | W1743 C1749 Y1755 Q1939 D2036 | W1743-Y1747 AromaticContact CD1-CD2 3.65Å; W1743-Y1747 AromaticContact CD1-CE2 3.71Å; W1743-Y1747 HydrophobicContact CD2-CD2 4.07Å; W1743-Y1747 AromaticContact CE2-CD2 3.44Å; W1743-Y1747 VanDerWaalsContact CE2-CD2 3.44Å; W1743-Y1747 AromaticContact CE2-CE2 3.95Å; W1743-Y1747 HydrophobicContact CG-CD2 4.21Å; W1743-Y1747 AromaticContact CZ2-CD2 3.88Å; W1743-Y1747 HydrophobicContact CZ2-CD2 3.88Å; W1743-Y1747 HydrophobicContact CZ2-CE2 4.47Å; W1743-Y1747 HydrophobicContact CZ2-CG 4.35Å; W1743-Y1747 AromaticContact NE1-CD2 3.18Å; W1743-Y1747 AromaticContact NE1-CE2 3.22Å; W1743-Y1747 PolarHBondContact O-N 3.01Å; W1743-Y1747 VanDerWaalsContact O-N 3.14Å; Y1747-C1749 VanDerWaalsContact C-N 3.3Å; Y1747-C1749 PolarHBondContact O-N 3.23Å; Y1747-C1749 VanDerWaalsContact O-N 3.07Å; Y1747-C1749 PolarHBondContact O-SG 2.61Å; Y1747-C1749 VanDerWaalsContact O-SG 3.38Å; Y1747-Y1755 AromaticContact CD1-CD2 3.97Å; Y1747-Y1755 HydrophobicContact CD1-CD2 3.97Å; Y1747-Y1755 AromaticContact CD1-CE2 3.71Å; Y1747-Y1755 HydrophobicContact CD1-CE2 3.71Å; Y1747-Y1755 HydrophobicContact CE1-CD2 4.34Å; Y1747-Y1755 AromaticContact CE1-CE2 3.74Å; Y1747-Y1755 HydrophobicContact CE1-CE2 3.74Å; Y1747-Y1755 HydrophobicContact CG-CE2 4.31Å; Y1747-Q1939 PolarHBondContact OH-OE1 2.95Å; Y1747-Q1939 VanDerWaalsContact OH-OE1 3.04Å; Y1747-D2036 WeakPolarHBondContact CE2-OD2 3.2Å; Y1747-D2036 PolarHBondContact OH-OD1 3.26Å; Y1747-D2036 PolarHBondContact OH-OD2 3.12Å |
| 1748 | G | 31.5 | Very low | 33.6 | Very low | 49.6 Ų | 49.6 | 97.9 Ų | 97.9 | 51% | 0.511 | 49% | 0.493 | S | S | . | . | trans | 33.7 | 69.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q1744 E1750 | Q1744-G1748 VanDerWaalsContact O-CA 3.3Å; Q1744-G1748 WeakPolarHBondContact O-CA 3.37Å; Q1744-G1748 PolarHBondContact O-N 3Å; Q1744-G1748 VanDerWaalsContact O-N 3.16Å; G1748-E1750 PolarHBondContact O-N 2.95Å | ||
| 1749 | C | 33 | Very low | 33.1 | Very low | 87 Ų | 87 | 102.9 Ų | 102.9 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | trans | -104.8 | 102.7 | 177.5 | -80 | 0 | 0 | 0 | 0 | 112.4 | S852 I940 K1548 Q1744 Y1747 N1751 | S852-C1749 WeakPolarHBondContact CB-O 3.4Å; I940-C1749 HydrophobicContact CG2-CB 4.17Å; K1548-C1749 HydrophobicContact CD-CB 3.94Å; K1548-C1749 HydrophobicContact CG-CB 4.23Å; Q1744-C1749 VanDerWaalsContact CG-O 3.3Å; Q1744-C1749 WeakPolarHBondContact CG-O 3.4Å; Y1747-C1749 VanDerWaalsContact C-N 3.3Å; Y1747-C1749 PolarHBondContact O-N 3.23Å; Y1747-C1749 VanDerWaalsContact O-N 3.07Å; Y1747-C1749 PolarHBondContact O-SG 2.61Å; Y1747-C1749 VanDerWaalsContact O-SG 3.38Å; C1749-N1751 PolarHBondContact O-N 3.08Å; C1749-N1751 VanDerWaalsContact O-N 3.1Å | ||
| 1750 | E | 28.6 | Very low | 32.5 | Very low | 141.6 Ų | 141.6 | 103.3 Ų | 103.3 | 66% | 0.662 | 53% | 0.525 | S | S | * | . | trans | -116.4 | 102 | 165.4 | -92.6 | 167.5 | -150.4 | 0 | 0 | 112.3 | S852 N853 R859 N941 K1548 G1748 | S852-E1750 WeakPolarHBondContact CB-OE1 3.5Å; S852-E1750 VanDerWaalsContact O-OE1 3.11Å; N853-E1750 WeakPolarHBondContact CA-OE1 3.26Å; N853-E1750 PolarHBondContact N-OE1 2.88Å; N853-E1750 PolarHBondContact OD1-OE1 3.33Å; R859-E1750 IonicContact CZ-OE2 2.63Å; R859-E1750 PolarHBondContact NH1-O 2.8Å; R859-E1750 PolarHBondContact NH2-O 2.75Å; R859-E1750 IonicContact NH2-OE2 3.44Å; R859-E1750 PolarHBondContact NH2-OE2 2.98Å; N941-E1750 PolarHBondContact ND2-O 3.22Å; N941-E1750 PolarHBondContact OD1-N 2.83Å; N941-E1750 PolarHBondContact OD1-O 3.04Å; K1548-E1750 IonicContact NZ-OE1 2.68Å; K1548-E1750 PolarHBondContact NZ-OE1 3.41Å; G1748-E1750 PolarHBondContact O-N 2.95Å | ||
| 1751 | N | 30.8 | Very low | 32 | Very low | 100 Ų | 100 | 106.8 Ų | 106.8 | 54% | 0.535 | 54% | 0.541 | S | S | . | . | trans | -155.6 | 116.9 | 159.2 | -92.9 | -45.2 | 0 | 0 | 0 | 113.4 | L856 N941 D942 C1749 M1753 E1754 | L856-N1751 WeakPolarHBondContact CD2-ND2 3.23Å; N941-N1751 HydrophobicContact CB-CB 3.66Å; N941-N1751 WeakPolarHBondContact O-CB 3.44Å; N941-N1751 PolarHBondContact O-ND2 3.26Å; N941-N1751 PolarHBondContact OD1-N 3.22Å; D942-N1751 PolarHBondContact OD1-ND2 3.36Å; C1749-N1751 PolarHBondContact O-N 3.08Å; C1749-N1751 VanDerWaalsContact O-N 3.1Å; N1751-M1753 HydrophobicContact CB-CB 4.11Å; N1751-M1753 PolarHBondContact O-N 3.22Å; N1751-M1753 VanDerWaalsContact O-N 3.15Å; N1751-E1754 HydrophobicContact CB-CB 4.15Å; N1751-E1754 HydrophobicContact CB-CG 4.33Å; N1751-E1754 PolarHBondContact ND2-OE2 2.83Å; N1751-E1754 WeakPolarHBondContact O-CA 3.16Å; N1751-E1754 WeakPolarHBondContact O-CB 3.37Å; N1751-E1754 PolarHBondContact O-N 3.43Å | ||
| 1752 | P | 28.3 | Very low | 31.5 | Very low | 88.8 Ų | 88.8 | 112.9 Ų | 112.9 | 58% | 0.577 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -83 | 5.2 | 172.5 | 22.3 | -20.6 | 0 | 0 | 0 | 113.4 | L1740 E1754 L1756 | L1740-P1752 HydrophobicContact CD1-CB 3.74Å; L1740-P1752 HydrophobicContact CD1-CG 4.12Å; L1740-P1752 HydrophobicContact CD2-CB 3.76Å; L1740-P1752 HydrophobicContact CD2-CG 4.17Å; L1740-P1752 HydrophobicContact CG-CB 4.39Å; P1752-E1754 VanDerWaalsContact C-N 3.28Å; P1752-E1754 PolarHBondContact O-N 3.01Å; P1752-L1756 WeakPolarHBondContact O-CB 3.17Å; P1752-L1756 WeakPolarHBondContact O-CG 3.42Å; P1752-L1756 PolarHBondContact O-N 2.79Å |
| 1753 | M | 27.4 | Very low | 31.1 | Very low | 122 Ų | 122 | 116.9 Ų | 116.9 | 60% | 0.601 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -106.3 | -3.4 | -173.2 | -90 | -62 | -61.2 | 0 | 0 | 116.4 | N1751 Y1755 L1756 K1757 I1766 | N1751-M1753 HydrophobicContact CB-CB 4.11Å; N1751-M1753 PolarHBondContact O-N 3.22Å; N1751-M1753 VanDerWaalsContact O-N 3.15Å; M1753-Y1755 PolarHBondContact O-N 3.06Å; M1753-Y1755 VanDerWaalsContact O-N 3.15Å; M1753-L1756 HydrophobicContact CE-CB 3.66Å; M1753-L1756 HydrophobicContact CE-CD1 4.18Å; M1753-L1756 HydrophobicContact SD-CB 4.17Å; M1753-L1756 HydrophobicContact SD-CD1 3.96Å; M1753-K1757 WeakPolarHBondContact O-CG 3.36Å; M1753-I1766 HydrophobicContact CE-CD1 3.79Å; M1753-I1766 HydrophobicContact SD-CD1 4.03Å |
| 1754 | E | 29.7 | Very low | 30.7 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 57% | 0.565 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -90.7 | -31.8 | 175 | -114.4 | 156 | 175.5 | 0 | 0 | 112.8 | A943 S944 N1751 P1752 L1756 K1757 D1758 | A943-E1754 VanDerWaalsContact CB-OE2 3.3Å; A943-E1754 WeakPolarHBondContact CB-OE2 3.48Å; A943-E1754 PolarHBondContact N-OE2 3.47Å; S944-E1754 PolarHBondContact OG-OE1 3.37Å; N1751-E1754 HydrophobicContact CB-CB 4.15Å; N1751-E1754 HydrophobicContact CB-CG 4.33Å; N1751-E1754 PolarHBondContact ND2-OE2 2.83Å; N1751-E1754 WeakPolarHBondContact O-CA 3.16Å; N1751-E1754 WeakPolarHBondContact O-CB 3.37Å; N1751-E1754 PolarHBondContact O-N 3.43Å; P1752-E1754 VanDerWaalsContact C-N 3.28Å; P1752-E1754 PolarHBondContact O-N 3.01Å; E1754-L1756 VanDerWaalsContact C-N 3.3Å; E1754-L1756 PolarHBondContact O-N 3.14Å; E1754-K1757 WeakPolarHBondContact O-CA 3.36Å; E1754-K1757 VanDerWaalsContact O-CB 3.3Å; E1754-K1757 WeakPolarHBondContact O-CB 3.28Å; E1754-K1757 PolarHBondContact O-N 3.1Å; E1754-K1757 IonicContact OE1-NZ 2.69Å; E1754-K1757 PolarHBondContact OE1-NZ 3.23Å; E1754-D1758 PolarHBondContact O-N 2.98Å |
| 1755 | Y | 29.2 | Very low | 30.3 | Very low | 160.6 Ų | 160.6 | 125.5 Ų | 125.5 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.6 | -8.5 | 179.7 | -116.4 | -87.9 | 0 | 0 | 0 | 114.9 | H1414 Y1747 M1753 K1757 D1758 F1759 | H1414-Y1755 AromaticContact CE1-CD2 3.43Å; H1414-Y1755 VanDerWaalsContact CE1-CD2 3.43Å; H1414-Y1755 WeakPolarHBondContact CE1-CD2 3.29Å; H1414-Y1755 AromaticContact CE1-CE2 3.45Å; H1414-Y1755 VanDerWaalsContact CE1-CE2 3.45Å; H1414-Y1755 WeakPolarHBondContact CE1-CE2 3.41Å; H1414-Y1755 AromaticContact CE1-CG 3.97Å; H1414-Y1755 AromaticContact NE2-CD2 3.57Å; H1414-Y1755 AromaticContact NE2-CE2 3.24Å; H1414-Y1755 WeakPolarHBondContact NE2-CE2 3.06Å; H1414-Y1755 AromaticContact NE2-CZ 3.97Å; Y1747-Y1755 AromaticContact CD1-CD2 3.97Å; Y1747-Y1755 HydrophobicContact CD1-CD2 3.97Å; Y1747-Y1755 AromaticContact CD1-CE2 3.71Å; Y1747-Y1755 HydrophobicContact CD1-CE2 3.71Å; Y1747-Y1755 HydrophobicContact CE1-CD2 4.34Å; Y1747-Y1755 AromaticContact CE1-CE2 3.74Å; Y1747-Y1755 HydrophobicContact CE1-CE2 3.74Å; Y1747-Y1755 HydrophobicContact CG-CE2 4.31Å; M1753-Y1755 PolarHBondContact O-N 3.06Å; M1753-Y1755 VanDerWaalsContact O-N 3.15Å; Y1755-K1757 VanDerWaalsContact C-N 3.29Å; Y1755-K1757 PolarHBondContact O-N 3.45Å; Y1755-D1758 PolarHBondContact O-N 3.39Å; Y1755-F1759 HydrophobicContact CE1-CD2 4.47Å; Y1755-F1759 HydrophobicContact CE1-CE2 4.41Å; Y1755-F1759 PolarHBondContact O-N 3.07Å |
| 1756 | L | 29.1 | Very low | 29.8 | Very low | 120.4 Ų | 120.4 | 128.5 Ų | 128.5 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -97.8 | 0 | -178.2 | -98.5 | 168.9 | 0 | 0 | 0 | 114.8 | P1752 M1753 E1754 S1760 M1761 | P1752-L1756 WeakPolarHBondContact O-CB 3.17Å; P1752-L1756 WeakPolarHBondContact O-CG 3.42Å; P1752-L1756 PolarHBondContact O-N 2.79Å; M1753-L1756 HydrophobicContact CE-CB 3.66Å; M1753-L1756 HydrophobicContact CE-CD1 4.18Å; M1753-L1756 HydrophobicContact SD-CB 4.17Å; M1753-L1756 HydrophobicContact SD-CD1 3.96Å; E1754-L1756 VanDerWaalsContact C-N 3.3Å; E1754-L1756 PolarHBondContact O-N 3.14Å; L1756-S1760 PolarHBondContact O-N 3.31Å; L1756-M1761 PolarHBondContact O-N 3.15Å |
| 1757 | K | 28.9 | Very low | 29.4 | Very low | 154.6 Ų | 154.6 | 126 Ų | 126 | 67% | 0.672 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -91.1 | -34.9 | 177.6 | -89.4 | 175.6 | -179.6 | 174.1 | 0 | 114.2 | M1753 E1754 Y1755 F1759 S1760 | M1753-K1757 WeakPolarHBondContact O-CG 3.36Å; E1754-K1757 WeakPolarHBondContact O-CA 3.36Å; E1754-K1757 VanDerWaalsContact O-CB 3.3Å; E1754-K1757 WeakPolarHBondContact O-CB 3.28Å; E1754-K1757 PolarHBondContact O-N 3.1Å; E1754-K1757 IonicContact OE1-NZ 2.69Å; E1754-K1757 PolarHBondContact OE1-NZ 3.23Å; Y1755-K1757 VanDerWaalsContact C-N 3.29Å; Y1755-K1757 PolarHBondContact O-N 3.45Å; K1757-F1759 VanDerWaalsContact C-N 3.3Å; K1757-F1759 PolarHBondContact O-N 3.03Å; K1757-S1760 WeakPolarHBondContact O-CA 3.39Å; K1757-S1760 WeakPolarHBondContact O-CB 3.36Å; K1757-S1760 PolarHBondContact O-N 3.06Å; K1757-S1760 PolarHBondContact O-OG 3.05Å |
| 1758 | D | 30.1 | Very low | 29.1 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 64% | 0.642 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -83.9 | -4 | -174.3 | -73 | -34.1 | 0 | 0 | 0 | 113.7 | Q1416 F1417 H1418 E1754 Y1755 S1760 M1761 | Q1416-D1758 WeakPolarHBondContact O-CB 3.18Å; F1417-D1758 HydrophobicContact CB-CB 4.26Å; F1417-D1758 HydrophobicContact CD2-CB 4.39Å; H1418-D1758 WeakPolarHBondContact CB-OD1 3.21Å; H1418-D1758 PolarHBondContact CD2-O 3.48Å; E1754-D1758 PolarHBondContact O-N 2.98Å; Y1755-D1758 PolarHBondContact O-N 3.39Å; D1758-S1760 PolarHBondContact O-N 3.02Å; D1758-M1761 WeakPolarHBondContact O-CB 3.37Å; D1758-M1761 PolarHBondContact O-N 3.26Å; D1758-M1761 VanDerWaalsContact O-N 3.13Å |
| 1759 | F | 28.8 | Very low | 28.9 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 34 | 170.1 | -91.2 | -85 | 0 | 0 | 0 | 113.8 | W1743 Y1755 K1757 M1761 | W1743-F1759 AromaticContact CH2-CD2 3.92Å; W1743-F1759 HydrophobicContact CH2-CD2 3.92Å; W1743-F1759 HydrophobicContact CH2-CE1 4.26Å; W1743-F1759 AromaticContact CH2-CE2 3.42Å; W1743-F1759 HydrophobicContact CH2-CE2 3.42Å; W1743-F1759 VanDerWaalsContact CH2-CE2 3.42Å; W1743-F1759 AromaticContact CH2-CZ 3.6Å; W1743-F1759 HydrophobicContact CH2-CZ 3.6Å; W1743-F1759 HydrophobicContact CZ2-CE1 4.4Å; W1743-F1759 AromaticContact CZ2-CE2 3.97Å; W1743-F1759 HydrophobicContact CZ2-CE2 3.97Å; W1743-F1759 AromaticContact CZ2-CZ 3.72Å; W1743-F1759 HydrophobicContact CZ2-CZ 3.72Å; W1743-F1759 HydrophobicContact CZ3-CE2 4.47Å; Y1755-F1759 HydrophobicContact CE1-CD2 4.47Å; Y1755-F1759 HydrophobicContact CE1-CE2 4.41Å; Y1755-F1759 PolarHBondContact O-N 3.07Å; K1757-F1759 VanDerWaalsContact C-N 3.3Å; K1757-F1759 PolarHBondContact O-N 3.03Å; F1759-M1761 PolarHBondContact O-N 3.28Å |
| 1760 | S | 26.4 | Very low | 28.6 | Very low | 93.6 Ų | 93.6 | 138.1 Ų | 138.1 | 66% | 0.655 | 69% | 0.691 | S | S | * | * | trans | -110.8 | 28.2 | 174.2 | 84.3 | 0 | 0 | 0 | 0 | 116.3 | H1418 L1756 K1757 D1758 K1762 | H1418-S1760 VanDerWaalsContact CE1-C 3.5Å; H1418-S1760 PolarHBondContact CE1-O 2.95Å; H1418-S1760 WeakPolarHBondContact NE2-CA 3.13Å; H1418-S1760 PolarHBondContact NE2-N 3.09Å; H1418-S1760 PolarHBondContact NE2-O 3.33Å; L1756-S1760 PolarHBondContact O-N 3.31Å; K1757-S1760 WeakPolarHBondContact O-CA 3.39Å; K1757-S1760 WeakPolarHBondContact O-CB 3.36Å; K1757-S1760 PolarHBondContact O-N 3.06Å; K1757-S1760 PolarHBondContact O-OG 3.05Å; D1758-S1760 PolarHBondContact O-N 3.02Å; S1760-K1762 PolarHBondContact O-N 3.27Å | ||
| 1761 | M | 28.2 | Very low | 28.5 | Very low | 143.2 Ų | 143.2 | 135.7 Ų | 135.7 | 71% | 0.705 | 69% | 0.69 | S | S | * | * | trans | -87 | 127 | 176.5 | -81.3 | -110.5 | 174.9 | 0 | 0 | 114.2 | H1418 L1756 D1758 F1759 Y2024 | H1418-M1761 PolarHBondContact CE1-O 3.28Å; L1756-M1761 PolarHBondContact O-N 3.15Å; D1758-M1761 WeakPolarHBondContact O-CB 3.37Å; D1758-M1761 PolarHBondContact O-N 3.26Å; D1758-M1761 VanDerWaalsContact O-N 3.13Å; F1759-M1761 PolarHBondContact O-N 3.28Å; M1761-Y2024 HydrophobicContact CE-CD1 3.7Å; M1761-Y2024 HydrophobicContact CE-CE1 3.63Å; M1761-Y2024 HydrophobicContact CE-CG 4.46Å; M1761-Y2024 HydrophobicContact SD-CD1 3.93Å; M1761-Y2024 HydrophobicContact SD-CE1 3.57Å; M1761-Y2024 VanDerWaalsContact SD-CE1 3.57Å | ||
| 1762 | K | 28 | Very low | 28.2 | Very low | 177.4 Ų | 177.4 | 136.5 Ų | 136.5 | 77% | 0.771 | 70% | 0.702 | S | S | * | * | trans | -68.5 | 145.8 | -173.9 | -74.7 | 175.9 | 179.1 | 173.1 | 0 | 113.3 | S1760 N1764 | S1760-K1762 PolarHBondContact O-N 3.27Å; K1762-N1764 VanDerWaalsContact C-N 3.29Å; K1762-N1764 PolarHBondContact O-N 2.92Å; K1762-N1764 VanDerWaalsContact O-N 3.09Å | ||
| 1763 | P | 29.7 | Very low | 28.1 | Very low | 104.2 Ų | 104.2 | 138.2 Ų | 138.2 | 68% | 0.677 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -74.5 | -16.3 | -165.4 | 9 | -4.8 | 0 | 0 | 0 | 114.4 | R1765 | P1763-R1765 VanDerWaalsContact C-N 3.3Å; P1763-R1765 PolarHBondContact O-N 3.2Å |
| 1764 | N | 29.4 | Very low | 28 | Very low | 149.6 Ų | 149.6 | 139.1 Ų | 139.1 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 53.2 | -174.9 | -69.9 | -16 | 0 | 0 | 0 | 114.7 | K1762 | K1762-N1764 VanDerWaalsContact C-N 3.29Å; K1762-N1764 PolarHBondContact O-N 2.92Å; K1762-N1764 VanDerWaalsContact O-N 3.09Å |
| 1765 | R | 28.2 | Very low | 27.9 | Very low | 216.8 Ų | 216.8 | 140.7 Ų | 140.7 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | 0.9 | 174.9 | -95.7 | -179 | 180 | -171.8 | -0.6 | 115.9 | P1763 G1767 K1768 | P1763-R1765 VanDerWaalsContact C-N 3.3Å; P1763-R1765 PolarHBondContact O-N 3.2Å; R1765-G1767 VanDerWaalsContact C-N 3.32Å; R1765-G1767 PolarHBondContact O-N 3.02Å; R1765-G1767 VanDerWaalsContact O-N 3.12Å; R1765-K1768 PolarHBondContact O-N 3.48Å; R1765-K1768 VanDerWaalsContact O-N 3.15Å |
| 1766 | I | 29.2 | Very low | 27.9 | Very low | 130.4 Ų | 130.4 | 139.4 Ų | 139.4 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | trans | -62.6 | 10.8 | 172.9 | -61.2 | 172.7 | 0 | 0 | 0 | 112.6 | K1732 M1753 K1768 L1769 | K1732-I1766 VanDerWaalsContact NZ-CD1 3.33Å; M1753-I1766 HydrophobicContact CE-CD1 3.79Å; M1753-I1766 HydrophobicContact SD-CD1 4.03Å; I1766-K1768 PolarHBondContact O-N 2.89Å; I1766-L1769 PolarHBondContact O-N 2.85Å; I1766-L1769 VanDerWaalsContact O-N 3.11Å | ||
| 1767 | G | 28.3 | Very low | 27.7 | Very low | 71.6 Ų | 71.6 | 141.2 Ų | 141.2 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -96.3 | 17.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R1765 | R1765-G1767 VanDerWaalsContact C-N 3.32Å; R1765-G1767 PolarHBondContact O-N 3.02Å; R1765-G1767 VanDerWaalsContact O-N 3.12Å |
| 1768 | K | 28.8 | Very low | 27.7 | Very low | 182.2 Ų | 182.2 | 139.4 Ų | 139.4 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -126.4 | 21.3 | 176.3 | -76.2 | -166.9 | 172.8 | -172.5 | 0 | 115.4 | R1765 I1766 H1770 S1771 | R1765-K1768 PolarHBondContact O-N 3.48Å; R1765-K1768 VanDerWaalsContact O-N 3.15Å; I1766-K1768 PolarHBondContact O-N 2.89Å; K1768-H1770 VanDerWaalsContact C-N 3.33Å; K1768-S1771 PolarHBondContact O-OG 2.9Å; K1768-S1771 VanDerWaalsContact O-OG 3.06Å |
| 1769 | L | 26.7 | Very low | 27.5 | Very low | 158.6 Ų | 158.6 | 142 Ų | 142 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -115.8 | 9 | 166.1 | -83.5 | 163.9 | 0 | 0 | 0 | 111.9 | I1766 S1771 | I1766-L1769 PolarHBondContact O-N 2.85Å; I1766-L1769 VanDerWaalsContact O-N 3.11Å; L1769-S1771 VanDerWaalsContact C-N 3.3Å; L1769-S1771 PolarHBondContact O-N 3.24Å |
| 1770 | H | 26.6 | Very low | 27.5 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | trans | -83.9 | 61.3 | 156 | -77.3 | -73.1 | 0 | 0 | 0 | 112.1 | K1768 | K1768-H1770 VanDerWaalsContact C-N 3.33Š| ||
| 1771 | S | 26.2 | Very low | 27.7 | Very low | 91.4 Ų | 91.4 | 143.3 Ų | 143.3 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | trans | -166 | 105.8 | 157.6 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | K1768 L1769 | K1768-S1771 PolarHBondContact O-OG 2.9Å; K1768-S1771 VanDerWaalsContact O-OG 3.06Å; L1769-S1771 VanDerWaalsContact C-N 3.3Å; L1769-S1771 PolarHBondContact O-N 3.24Å | ||
| 1772 | C | 25.3 | Very low | 27.7 | Very low | 117.2 Ų | 117.2 | 143 Ų | 143 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -166.3 | 83.9 | 177 | -74.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1773 | T | 25.9 | Very low | 27.8 | Very low | 123.4 Ų | 123.4 | 141.5 Ų | 141.5 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | -138.9 | 99.3 | 127.6 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1774 | D | 24.6 | Very low | 27.7 | Very low | 142.8 Ų | 142.8 | 143.6 Ų | 143.6 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 160.7 | 147.6 | 159.2 | -86.1 | -32.6 | 0 | 0 | 0 | 113.9 | ||||
| 1775 | I | 28.5 | Very low | 27.7 | Very low | 154.4 Ų | 154.4 | 146.7 Ų | 146.7 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | 81.7 | 118.3 | 164.1 | -58.2 | 174.2 | 0 | 0 | 0 | 114.5 | ||||
| 1776 | N | 28.4 | Very low | 27.8 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -45.9 | 139.2 | 170.5 | -73 | -34.2 | 0 | 0 | 0 | 115.4 | V1778 | N1776-V1778 PolarHBondContact O-N 3.19Š| ||
| 1777 | N | 26.3 | Very low | 27.8 | Very low | 157.4 Ų | 157.4 | 143.6 Ų | 143.6 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | trans | -102 | 118.4 | 143.5 | -85.4 | -33.5 | 0 | 0 | 0 | 111.7 | ||||
| 1778 | V | 27.5 | Very low | 27.9 | Very low | 117.8 Ų | 117.8 | 145.5 Ų | 145.5 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | trans | 168.8 | 118.5 | 146.1 | 173.1 | 0 | 0 | 0 | 0 | 112 | N1776 | N1776-V1778 PolarHBondContact O-N 3.19Š| ||
| 1779 | Q | 27.5 | Very low | 28 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -170.2 | 127.7 | 152.4 | -98.6 | 165.6 | -27.3 | 0 | 0 | 113.2 | ||||
| 1780 | E | 27.9 | Very low | 28.1 | Very low | 165.8 Ų | 165.8 | 139.3 Ų | 139.3 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | -134.4 | 137.9 | 128.8 | -81.4 | 176.4 | 158.4 | 0 | 0 | 114.5 | |||||
| 1781 | N | 29.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | 169.2 | 119.1 | 139.4 | -87.3 | -46.5 | 0 | 0 | 0 | 114.9 | ||||
| 1782 | N | 29.6 | Very low | 28.7 | Very low | 135.8 Ų | 135.8 | 141 Ų | 141 | 73% | 0.726 | 76% | 0.76 | S | S | * | * | trans | 80.6 | 137.1 | 142.7 | -74.1 | -27.8 | 0 | 0 | 0 | 117.9 | ||||
| 1783 | L | 28.7 | Very low | 28.9 | Very low | 146.2 Ų | 146.2 | 141.9 Ų | 141.9 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | 154 | 139.9 | 91.2 | -92.2 | 155.3 | 0 | 0 | 0 | 114.2 | |||||
| 1784 | L | 29.3 | Very low | 29 | Very low | 148.4 Ų | 148.4 | 142.4 Ų | 142.4 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | -89.1 | 137.3 | 151.8 | -82.1 | 167.9 | 0 | 0 | 0 | 114.7 | ||||
| 1785 | R | 29.3 | Very low | 29.1 | Very low | 214.2 Ų | 214.2 | 143.4 Ų | 143.4 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | 164.6 | 128.4 | 103.2 | -132.4 | -178 | 173.8 | 170 | 4.3 | 114.8 | |||||
| 1786 | D | 29.9 | Very low | 29 | Very low | 107.2 Ų | 107.2 | 140.8 Ų | 140.8 | 57% | 0.573 | 76% | 0.755 | S | S | * | * | trans | 50.5 | 125.9 | 137.4 | -75.9 | -19.4 | 0 | 0 | 0 | 118.2 | ||||
| 1787 | K | 29.7 | Very low | 29 | Very low | 175.6 Ų | 175.6 | 140.6 Ų | 140.6 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | 120.5 | 128.5 | 101.9 | -88.8 | 170.3 | -174.6 | 151.1 | 0 | 115.8 | |||||
| 1788 | S | 29 | Very low | 29 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | 144.2 | 148.3 | 91.3 | 52 | 0 | 0 | 0 | 0 | 116 | |||||
| 1789 | A | 32.3 | Very low | 28.9 | Very low | 96.8 Ų | 96.8 | 140.3 Ų | 140.3 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | 103.9 | 148.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1790 | S | 28 | Very low | 28.8 | Very low | 112.8 Ų | 112.8 | 141.4 Ų | 141.4 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | -171.1 | 177.2 | 68.2 | 63.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1791 | P | 35.6 | Very low | 28.7 | Very low | 110.4 Ų | 110.4 | 138.3 Ų | 138.3 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | -124.7 | -179 | -88.5 | 38.4 | -25.9 | 0 | 0 | 0 | 114.6 | |||||
| 1792 | K | 29.6 | Very low | 28.5 | Very low | 187.8 Ų | 187.8 | 141 Ų | 141 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | 174.3 | 128.2 | 146.4 | -95.1 | 164.4 | -176.2 | -178.5 | 0 | 113.1 | ||||
| 1793 | N | 29.3 | Very low | 28.2 | Very low | 135.6 Ų | 135.6 | 142.6 Ų | 142.6 | 73% | 0.725 | 77% | 0.77 | S | S | * | * | 84.7 | 122.8 | 122 | -77 | 43.1 | 0 | 0 | 0 | 115.7 | |||||
| 1794 | D | 28.2 | Very low | 28 | Very low | 132.8 Ų | 132.8 | 139.6 Ų | 139.6 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | -171.7 | 148.5 | 100.8 | -65.8 | -40.5 | 0 | 0 | 0 | 116.9 | |||||
| 1795 | L | 27.4 | Very low | 27.8 | Very low | 164.8 Ų | 164.8 | 140.3 Ų | 140.3 | 86% | 0.863 | 77% | 0.77 | S | S | * | * | trans | -17.5 | 138.3 | 154.5 | -68.5 | 139.5 | 0 | 0 | 0 | 115.4 | ||||
| 1796 | S | 26.2 | Very low | 27.7 | Very low | 100.4 Ų | 100.4 | 136.2 Ų | 136.2 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | cis | -175.4 | 148.2 | 34.4 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | E1798 | S1796-E1798 PolarHBondContact O-N 3.19Š| ||
| 1797 | V | 28.8 | Very low | 27.6 | Very low | 127.4 Ų | 127.4 | 139.1 Ų | 139.1 | 77% | 0.772 | 78% | 0.779 | S | S | * | * | -75.1 | 135.6 | 124.2 | 178.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1798 | E | 25.6 | Very low | 27.3 | Very low | 175.4 Ų | 175.4 | 136.4 Ų | 136.4 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | trans | 98.9 | 128.4 | 160.6 | -91.4 | 159.1 | -150.7 | 0 | 0 | 116.8 | S1796 | S1796-E1798 PolarHBondContact O-N 3.19Š| ||
| 1799 | S | 25.6 | Very low | 27.3 | Very low | 93.4 Ų | 93.4 | 139.2 Ų | 139.2 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | 100.8 | 126.6 | 127.6 | 66.7 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1800 | F | 25.6 | Very low | 27 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | 171.4 | 107.4 | 145.5 | -91.8 | -86 | 0 | 0 | 0 | 113.1 | ||||
| 1801 | S | 24.7 | Very low | 26.9 | Very low | 100.8 Ų | 100.8 | 145.6 Ų | 145.6 | 71% | 0.705 | 77% | 0.769 | S | S | * | * | 83.3 | 94.3 | 126.7 | 18.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1802 | Q | 25.9 | Very low | 26.4 | Very low | 184.6 Ų | 184.6 | 147 Ų | 147 | 86% | 0.863 | 77% | 0.77 | S | S | * | * | trans | 160.3 | 103.9 | 161.6 | -82.6 | -178.4 | 3 | 0 | 0 | 114.6 | ||||
| 1803 | L | 24.6 | Very low | 26.4 | Very low | 170.4 Ų | 170.4 | 145.5 Ų | 145.5 | 89% | 0.892 | 77% | 0.77 | S | S | * | * | trans | -154.5 | 88.3 | 138.4 | -100.3 | 151.2 | 0 | 0 | 0 | 113.5 | ||||
| 1804 | A | 24.1 | Very low | 26.2 | Very low | 82.6 Ų | 82.6 | 145.4 Ų | 145.4 | 68% | 0.683 | 77% | 0.769 | S | S | * | * | trans | 111.3 | 140.1 | 134.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1805 | L | 25.1 | Very low | 26.2 | Very low | 164.2 Ų | 164.2 | 147 Ų | 147 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 109.9 | 119 | 172.2 | -76 | 167 | 0 | 0 | 0 | 113.8 | ||||
| 1806 | T | 27.6 | Very low | 26.2 | Very low | 127.8 Ų | 127.8 | 145.7 Ų | 145.7 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | 175.6 | 120.6 | 142.7 | 36.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1807 | E | 25.8 | Very low | 26.3 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | -27.8 | 147.3 | 121.4 | -78.1 | -175.9 | 146.8 | 0 | 0 | 114.3 | |||||
| 1808 | N | 25.5 | Very low | 26.2 | Very low | 119.2 Ų | 119.2 | 149.7 Ų | 149.7 | 64% | 0.637 | 77% | 0.768 | S | S | * | * | trans | 109.7 | 118.9 | 156.3 | -79.7 | -52.4 | 0 | 0 | 0 | 115 | ||||
| 1809 | K | 27.1 | Very low | 26.4 | Very low | 169.2 Ų | 169.2 | 146.4 Ų | 146.4 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | 145.5 | 138.3 | 116.4 | -92.6 | 162.3 | -169.7 | 165.5 | 0 | 113.2 | |||||
| 1810 | F | 26.2 | Very low | 26.5 | Very low | 189.6 Ų | 189.6 | 148.2 Ų | 148.2 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 175.1 | 125.3 | 131.7 | -81.4 | -89.3 | 0 | 0 | 0 | 112.5 | ||||
| 1811 | Q | 25.7 | Very low | 26.5 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | -152.1 | 136.1 | 80.7 | -138.9 | 116.9 | 7.2 | 0 | 0 | 111.1 | |||||
| 1812 | N | 26.3 | Very low | 26.6 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 66.2 | 140.9 | 167.8 | -56.6 | -11.9 | 0 | 0 | 0 | 116.6 | ||||
| 1813 | I | 28.5 | Very low | 26.8 | Very low | 157.4 Ų | 157.4 | 145 Ų | 145 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | -172.6 | 126.3 | 86.8 | -70.3 | 160.5 | 0 | 0 | 0 | 110.3 | |||||
| 1814 | N | 26.1 | Very low | 26.9 | Very low | 134.2 Ų | 134.2 | 144 Ų | 144 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | -93.9 | 146.8 | 144.9 | -83.5 | -3.6 | 0 | 0 | 0 | 111 | ||||
| 1815 | E | 27.1 | Very low | 27 | Very low | 165.2 Ų | 165.2 | 147 Ų | 147 | 77% | 0.772 | 75% | 0.747 | S | S | * | * | trans | 144.4 | 147.5 | 136.3 | -85.9 | 152.8 | -163.9 | 0 | 0 | 113 | ||||
| 1816 | D | 27.8 | Very low | 27.1 | Very low | 138.2 Ų | 138.2 | 148.5 Ų | 148.5 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | 111.5 | 143.3 | 130.5 | -85.8 | -15.9 | 0 | 0 | 0 | 117.6 | ||||
| 1817 | I | 28.2 | Very low | 27.1 | Very low | 143.4 Ų | 143.4 | 148.3 Ų | 148.3 | 74% | 0.735 | 74% | 0.739 | S | S | * | * | trans | 66.4 | 125.4 | 139.3 | -68.7 | 161.1 | 0 | 0 | 0 | 114.6 | ||||
| 1818 | H | 27.4 | Very low | 27.1 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | -136.6 | 156.9 | 126.5 | -107.9 | -61.4 | 0 | 0 | 0 | 111.9 | N2436 | H1818-N2436 PolarHBondContact CE1-ND2 3.39Å; H1818-N2436 VanDerWaalsContact CE1-ND2 3.28Å; H1818-N2436 PolarHBondContact ND1-ND2 3.18Å | |||
| 1819 | P | 28.7 | Very low | 27.3 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | trans | -102.9 | 150.8 | 169.8 | 31 | -20.8 | 0 | 0 | 0 | 113.8 | ||||
| 1820 | V | 27.6 | Very low | 27.3 | Very low | 132.2 Ų | 132.2 | 144.9 Ų | 144.9 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | trans | -120.5 | 117.2 | 152.8 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1821 | I | 27.4 | Very low | 27.4 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | -166.5 | 133 | 125.7 | -79.6 | 164.1 | 0 | 0 | 0 | 110.8 | |||||
| 1822 | D | 26.7 | Very low | 27.4 | Very low | 121.6 Ų | 121.6 | 140.4 Ų | 140.4 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | 178 | 139.2 | 139.6 | -91.1 | -16.6 | 0 | 0 | 0 | 114.9 | S2440 | D1822-S2440 WeakPolarHBondContact O-CB 3.18Å; D1822-S2440 WeakPolarHBondContact OD2-CB 3.47Å; D1822-S2440 PolarHBondContact OD2-OG 2.83Å | ||
| 1823 | I | 30.1 | Very low | 27.4 | Very low | 153.6 Ų | 153.6 | 141.1 Ų | 141.1 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | trans | -167.9 | 107.2 | 139.7 | -85.7 | 163.9 | 0 | 0 | 0 | 110.4 | ||||
| 1824 | E | 25.6 | Very low | 27.3 | Very low | 149.2 Ų | 149.2 | 138.6 Ų | 138.6 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | trans | -52.3 | 145.7 | 156.4 | -62 | -162.6 | 119 | 0 | 0 | 116.1 | R1826 | E1824-R1826 PolarHBondContact O-N 3.32Š| ||
| 1825 | Q | 26.8 | Very low | 27.3 | Very low | 146.4 Ų | 146.4 | 137.6 Ų | 137.6 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | trans | 85.5 | 106.2 | 149.4 | -72 | -175.2 | 26.2 | 0 | 0 | 118.6 | ||||
| 1826 | R | 26.6 | Very low | 27.2 | Very low | 195.4 Ų | 195.4 | 140.7 Ų | 140.7 | 74% | 0.737 | 74% | 0.738 | S | S | * | * | trans | 149.7 | 98.1 | 140.6 | -82.5 | 177.1 | 177.4 | 171.5 | 0.3 | 116.4 | E1824 N2441 R2444 | E1824-R1826 PolarHBondContact O-N 3.32Å; R1826-N2441 VanDerWaalsContact CZ-OD1 3.25Å; R1826-N2441 PolarHBondContact NH1-OD1 2.86Å; R1826-N2441 PolarHBondContact NH2-OD1 3.47Å; R1826-R2444 PolarHBondContact O-NH2 3.09Å | ||
| 1827 | V | 27.9 | Very low | 27.1 | Very low | 123.2 Ų | 123.2 | 141 Ų | 141 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | 124.6 | 92.5 | 115.2 | 172 | 0 | 0 | 0 | 0 | 114.1 | N1829 | V1827-N1829 PolarHBondContact O-N 3.02Š| |||
| 1828 | T | 26.5 | Very low | 27 | Very low | 109.6 Ų | 109.6 | 138.3 Ų | 138.3 | 67% | 0.672 | 73% | 0.733 | S | S | * | * | trans | -159.1 | 142.2 | 146.3 | 46.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1829 | N | 28.1 | Very low | 26.9 | Very low | 134.2 Ų | 134.2 | 135.1 Ų | 135.1 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | 79.6 | 102.3 | 158.3 | -61.7 | -15.1 | 0 | 0 | 0 | 117 | V1827 | V1827-N1829 PolarHBondContact O-N 3.02Š| ||
| 1830 | N | 28.5 | Very low | 26.7 | Very low | 140.8 Ų | 140.8 | 135.7 Ų | 135.7 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | 160.3 | 115.4 | 113 | -83.6 | -21.4 | 0 | 0 | 0 | 113.7 | |||||
| 1831 | L | 26.9 | Very low | 26.6 | Very low | 160.2 Ų | 160.2 | 133.4 Ų | 133.4 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -32.5 | 134.3 | 136.3 | -89.4 | 107.2 | 0 | 0 | 0 | 114 | ||||
| 1832 | S | 26.3 | Very low | 26.6 | Very low | 91.2 Ų | 91.2 | 134.1 Ų | 134.1 | 64% | 0.638 | 74% | 0.735 | S | S | * | * | cis | -138.3 | 155.3 | -1.7 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | S1834 | S1832-S1834 PolarHBondContact O-N 3.24Å; S1832-S1834 VanDerWaalsContact O-N 3.13Å | ||
| 1833 | N | 25.9 | Very low | 26.5 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | 74.9 | 109.6 | 156.3 | -65.3 | -18.8 | 0 | 0 | 0 | 117.9 | T1835 | N1833-T1835 HydrophobicContact CB-CG2 4.41Š| ||
| 1834 | S | 26 | Very low | 26.4 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | 168.6 | 102.2 | 127.6 | -165.4 | 0 | 0 | 0 | 0 | 115.7 | S1832 R1836 | S1832-S1834 PolarHBondContact O-N 3.24Å; S1832-S1834 VanDerWaalsContact O-N 3.13Å; S1834-R1836 PolarHBondContact O-N 3.45Å | |||
| 1835 | T | 27.4 | Very low | 26.4 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | 90.4 | 114.1 | 136.4 | 46.4 | 0 | 0 | 0 | 0 | 117.9 | N1833 L1837 | N1833-T1835 HydrophobicContact CB-CG2 4.41Å; T1835-L1837 VanDerWaalsContact C-N 3.35Å; T1835-L1837 PolarHBondContact O-N 2.86Å; T1835-L1837 VanDerWaalsContact O-N 3.16Å | ||
| 1836 | R | 25.4 | Very low | 26.3 | Very low | 229.2 Ų | 229.2 | 130.4 Ų | 130.4 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | 66.5 | 123.3 | 149.3 | -83.5 | 175.7 | 176.8 | -172.7 | -2 | 116.6 | S1834 | S1834-R1836 PolarHBondContact O-N 3.45Š| ||
| 1837 | L | 25.1 | Very low | 26.2 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | 81.9 | 110.2 | 156.8 | -68.4 | 165.9 | 0 | 0 | 0 | 116.9 | T1835 | T1835-L1837 VanDerWaalsContact C-N 3.35Å; T1835-L1837 PolarHBondContact O-N 2.86Å; T1835-L1837 VanDerWaalsContact O-N 3.16Å | ||
| 1838 | S | 26.4 | Very low | 26.1 | Very low | 87.6 Ų | 87.6 | 129.1 Ų | 129.1 | 61% | 0.613 | 75% | 0.746 | S | S | * | * | -164.6 | 110.2 | 121.6 | 49.3 | 0 | 0 | 0 | 0 | 114.8 | S1840 A1841 L1842 | S1838-S1840 PolarHBondContact O-N 3.13Å; S1838-A1841 PolarHBondContact O-N 3.41Å; S1838-L1842 PolarHBondContact O-N 2.87Å | |||
| 1839 | S | 24.5 | Very low | 26 | Very low | 100.4 Ų | 100.4 | 128.7 Ų | 128.7 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | trans | -27.1 | 98.9 | 135.3 | 16.4 | 0 | 0 | 0 | 0 | 114.1 | A1841 L1842 S1843 | S1839-A1841 VanDerWaalsContact C-N 3.29Å; S1839-A1841 PolarHBondContact O-N 3.12Å; S1839-L1842 PolarHBondContact O-N 2.93Å; S1839-S1843 PolarHBondContact O-N 3.02Å; S1839-S1843 PolarHBondContact O-OG 3.49Å | ||
| 1840 | S | 25.3 | Very low | 25.9 | Very low | 119.4 Ų | 119.4 | 128.3 Ų | 128.3 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | -153.1 | 63.5 | 157.4 | -68 | 0 | 0 | 0 | 0 | 115.1 | S1838 | S1838-S1840 PolarHBondContact O-N 3.13Š| ||
| 1841 | A | 25.6 | Very low | 25.7 | Very low | 83 Ų | 83 | 129.5 Ų | 129.5 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | trans | -134.2 | 28.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1838 S1839 L1844 | S1838-A1841 PolarHBondContact O-N 3.41Å; S1839-A1841 VanDerWaalsContact C-N 3.29Å; S1839-A1841 PolarHBondContact O-N 3.12Å; A1841-L1844 PolarHBondContact O-N 3.12Å | ||
| 1842 | L | 26.1 | Very low | 25.6 | Very low | 154.4 Ų | 154.4 | 126.8 Ų | 126.8 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -59 | 31.2 | 176 | -74.6 | 167.5 | 0 | 0 | 0 | 115.5 | S1838 S1839 L1844 L1845 S1846 | S1838-L1842 PolarHBondContact O-N 2.87Å; S1839-L1842 PolarHBondContact O-N 2.93Å; L1842-L1844 PolarHBondContact O-N 2.9Å; L1842-L1845 PolarHBondContact O-N 3.32Å; L1842-S1846 WeakPolarHBondContact O-CB 3.46Å; L1842-S1846 PolarHBondContact O-N 3.4Å; L1842-S1846 PolarHBondContact O-OG 3.36Å | ||
| 1843 | S | 25.5 | Very low | 25.6 | Very low | 93.2 Ų | 93.2 | 127.5 Ų | 127.5 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.5 | 69.9 | 175.4 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | S1839 | S1839-S1843 PolarHBondContact O-N 3.02Å; S1839-S1843 PolarHBondContact O-OG 3.49Å |
| 1844 | L | 26.7 | Very low | 25.6 | Very low | 145.6 Ų | 145.6 | 125.3 Ų | 125.3 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 74.6 | 164 | -72 | 169.7 | 0 | 0 | 0 | 112.2 | A1841 L1842 | A1841-L1844 PolarHBondContact O-N 3.12Å; L1842-L1844 PolarHBondContact O-N 2.9Å |
| 1845 | L | 26.2 | Very low | 25.6 | Very low | 156.6 Ų | 156.6 | 124.9 Ų | 124.9 | 82% | 0.82 | 75% | 0.749 | S | S | * | * | trans | -150 | 70.1 | 130.8 | -86.8 | 163.7 | 0 | 0 | 0 | 113.3 | L1842 | L1842-L1845 PolarHBondContact O-N 3.32Š| ||
| 1846 | S | 25.2 | Very low | 25.7 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | trans | -117.9 | 107.6 | 162.8 | -52.7 | 0 | 0 | 0 | 0 | 114.7 | L1842 E1848 | L1842-S1846 WeakPolarHBondContact O-CB 3.46Å; L1842-S1846 PolarHBondContact O-N 3.4Å; L1842-S1846 PolarHBondContact O-OG 3.36Å; S1846-E1848 PolarHBondContact O-N 2.89Å | ||
| 1847 | C | 24.7 | Very low | 25.7 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | 63.9 | 92.5 | 154.8 | -64.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1848 | E | 25.2 | Very low | 25.9 | Very low | 177.4 Ų | 177.4 | 116.5 Ų | 116.5 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | trans | -161.3 | 125.2 | 132.4 | -82.7 | -174.6 | 138.9 | 0 | 0 | 114.4 | S1846 | S1846-E1848 PolarHBondContact O-N 2.89Š| ||
| 1849 | S | 25.5 | Very low | 25.8 | Very low | 101 Ų | 101 | 118 Ų | 118 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 71.4 | 112.3 | 162.2 | 64.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1850 | T | 24.4 | Very low | 25.9 | Very low | 126 Ų | 126 | 120.8 Ų | 120.8 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 86 | 95.4 | 156.3 | 53.4 | 0 | 0 | 0 | 0 | 117.2 | S1852 | T1850-S1852 PolarHBondContact O-N 3.38Š| ||
| 1851 | L | 25.5 | Very low | 25.9 | Very low | 165.2 Ų | 165.2 | 119.7 Ų | 119.7 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | trans | -149 | 117.9 | 137.8 | -85.9 | 163.1 | 0 | 0 | 0 | 113.1 | ||||
| 1852 | S | 25.4 | Very low | 25.9 | Very low | 103.6 Ų | 103.6 | 120.8 Ų | 120.8 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | -146.1 | 135.4 | 148.7 | 53.1 | 0 | 0 | 0 | 0 | 114.7 | T1850 | T1850-S1852 PolarHBondContact O-N 3.38Š| ||
| 1853 | S | 25.4 | Very low | 25.9 | Very low | 106.2 Ų | 106.2 | 119.3 Ų | 119.3 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 107.2 | 129.1 | 158.8 | 66.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1854 | S | 25.9 | Very low | 26 | Very low | 106.2 Ų | 106.2 | 124.6 Ų | 124.6 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 179.3 | 134.7 | 132.6 | 56.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1855 | S | 26.6 | Very low | 26 | Very low | 97.8 Ų | 97.8 | 125.5 Ų | 125.5 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | trans | 115.1 | 122.3 | 146.3 | 67.8 | 0 | 0 | 0 | 0 | 115.3 | S1857 | S1855-S1857 PolarHBondContact O-N 3.1Š| ||
| 1856 | S | 28.5 | Very low | 25.9 | Very low | 104.2 Ų | 104.2 | 124.8 Ų | 124.8 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | -157.7 | 139.4 | 109.6 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1857 | S | 26.7 | Very low | 26 | Very low | 104.8 Ų | 104.8 | 128.3 Ų | 128.3 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 21.8 | 146.1 | 148.4 | 59.1 | 0 | 0 | 0 | 0 | 117.9 | S1855 | S1855-S1857 PolarHBondContact O-N 3.1Š| ||
| 1858 | S | 28 | Very low | 26.1 | Very low | 100.4 Ų | 100.4 | 127.4 Ų | 127.4 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | 152 | 156.5 | 59.1 | 60 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1859 | T | 26 | Very low | 26.1 | Very low | 118.8 Ų | 118.8 | 126.8 Ų | 126.8 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | 96.4 | 134.2 | 120.3 | 45.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1860 | L | 25.5 | Very low | 26.2 | Very low | 160.2 Ų | 160.2 | 127 Ų | 127 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | 95.9 | 139.6 | 131.1 | -86.6 | 142.4 | 0 | 0 | 0 | 114 | ||||
| 1861 | S | 24.6 | Very low | 26.3 | Very low | 96.6 Ų | 96.6 | 125.9 Ų | 125.9 | 68% | 0.676 | 75% | 0.748 | S | S | * | * | 163 | 153.2 | 121.4 | 56.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1862 | S | 26.4 | Very low | 26.4 | Very low | 105.8 Ų | 105.8 | 123.4 Ų | 123.4 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | trans | 108.4 | 124.8 | 133.2 | -25.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1863 | V | 26.6 | Very low | 26.5 | Very low | 123.2 Ų | 123.2 | 123.6 Ų | 123.6 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | 102 | 106.7 | 128.5 | 178.4 | 0 | 0 | 0 | 0 | 114 | Q1865 | V1863-Q1865 HydrophobicContact CG1-CG 4.41Š| |||
| 1864 | R | 27.2 | Very low | 26.7 | Very low | 203.6 Ų | 203.6 | 123.4 Ų | 123.4 | 77% | 0.768 | 75% | 0.745 | S | S | * | * | trans | 159 | 119.9 | 158.7 | -83.9 | 176.5 | 174.3 | -170.8 | -1.3 | 111.9 | S1452 S1453 | S1452-R1864 VanDerWaalsContact C-CZ 3.43Å; S1452-R1864 PolarHBondContact O-NE 2.82Å; S1452-R1864 VanDerWaalsContact O-NE 3.11Å; S1452-R1864 PolarHBondContact O-NH1 2.98Å; S1452-R1864 PolarHBondContact O-NH2 2.92Å; S1452-R1864 VanDerWaalsContact OG-CZ 3.31Å; S1452-R1864 PolarHBondContact OG-NH1 3.3Å; S1452-R1864 PolarHBondContact OG-NH2 3.19Å; S1453-R1864 PolarHBondContact O-NE 2.78Å; S1453-R1864 VanDerWaalsContact O-NE 3.11Å; S1453-R1864 PolarHBondContact OG-NE 2.81Å; S1453-R1864 VanDerWaalsContact OG-NE 3.13Å; S1453-R1864 PolarHBondContact OG-NH2 2.91Å | ||
| 1865 | Q | 27.2 | Very low | 26.8 | Very low | 165.6 Ų | 165.6 | 122.9 Ų | 122.9 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | 106.9 | 133.3 | 121.7 | -83.9 | 178.4 | -31.9 | 0 | 0 | 115.6 | V1863 | V1863-Q1865 HydrophobicContact CG1-CG 4.41Š| |||
| 1866 | L | 24.2 | Very low | 27.1 | Very low | 140.2 Ų | 140.2 | 125.3 Ų | 125.3 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -122.5 | 148.1 | 164.9 | -91.3 | 167.4 | 0 | 0 | 0 | 110.2 | ||||
| 1867 | H | 26.7 | Very low | 27.2 | Very low | 172.6 Ų | 172.6 | 126.3 Ų | 126.3 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | 111.4 | 122.7 | 145.1 | -79.6 | -71.6 | 0 | 0 | 0 | 116.6 | ||||
| 1868 | S | 26.4 | Very low | 27.4 | Very low | 95.6 Ų | 95.6 | 128.9 Ų | 128.9 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | 69.1 | 119.7 | 138.3 | 58.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1869 | L | 26.2 | Very low | 27.6 | Very low | 164.8 Ų | 164.8 | 130.3 Ų | 130.3 | 86% | 0.863 | 74% | 0.744 | S | S | * | * | -165.3 | 130.3 | 97 | -69.2 | 162.5 | 0 | 0 | 0 | 113.8 | |||||
| 1870 | S | 26.3 | Very low | 28 | Very low | 105.8 Ų | 105.8 | 131.2 Ų | 131.2 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | 116.2 | 142.3 | 104.9 | 22.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1871 | S | 26.9 | Very low | 28.4 | Very low | 102.4 Ų | 102.4 | 131 Ų | 131 | 72% | 0.716 | 74% | 0.743 | S | S | * | * | trans | 92 | 141.7 | 133 | 47.7 | 0 | 0 | 0 | 0 | 117.2 | S1873 | S1871-S1873 PolarHBondContact O-N 3.21Š| ||
| 1872 | S | 27.4 | Very low | 28.7 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | 66.2 | 132.9 | 132 | 62.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1873 | S | 27.8 | Very low | 29 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | cis | -166.4 | 143.3 | 37.2 | 32.2 | 0 | 0 | 0 | 0 | 114.6 | S1871 | S1871-S1873 PolarHBondContact O-N 3.21Š| ||
| 1874 | S | 29 | Very low | 29.3 | Very low | 103.2 Ų | 103.2 | 127 Ų | 127 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 57.2 | 119.6 | 150.8 | 63 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1875 | S | 29.6 | Very low | 29.6 | Very low | 95.4 Ų | 95.4 | 124.2 Ų | 124.2 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | 64.9 | 132.4 | 124.6 | 60.9 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1876 | N | 31.5 | Very low | 29.9 | Very low | 147.2 Ų | 147.2 | 122.6 Ų | 122.6 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | trans | 91.2 | 143.8 | 137.8 | -67.6 | -2.3 | 0 | 0 | 0 | 118.1 | ||||
| 1877 | N | 30.9 | Very low | 30.3 | Very low | 126.4 Ų | 126.4 | 123.3 Ų | 123.3 | 68% | 0.676 | 76% | 0.76 | S | S | * | * | trans | 156.9 | 143.9 | 148.8 | -87.2 | 11.8 | 0 | 0 | 0 | 114 | ||||
| 1878 | E | 31.8 | Very low | 30.6 | Very low | 158.4 Ų | 158.4 | 118.4 Ų | 118.4 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | 86.4 | 133.3 | 124.3 | -75.5 | 176.6 | -155.1 | 0 | 0 | 117.9 | |||||
| 1879 | N | 31.9 | Very low | 30.8 | Very low | 130.6 Ų | 130.6 | 125.4 Ų | 125.4 | 70% | 0.698 | 77% | 0.767 | S | S | * | * | 160.5 | 152.7 | 80.4 | -84.5 | -28.5 | 0 | 0 | 0 | 116.1 | |||||
| 1880 | I | 33.6 | Very low | 31.1 | Very low | 137.4 Ų | 137.4 | 122.8 Ų | 122.8 | 71% | 0.705 | 76% | 0.763 | S | S | * | * | 126 | 125.4 | 117.5 | -86.8 | 162.1 | 0 | 0 | 0 | 116.7 | |||||
| 1881 | D | 33.1 | Very low | 31.5 | Very low | 156.6 Ų | 156.6 | 122.5 Ų | 122.5 | 84% | 0.837 | 76% | 0.761 | S | S | * | * | trans | 43.8 | 145.2 | 152.3 | -61.4 | -23.1 | 0 | 0 | 0 | 124 | ||||
| 1882 | G | 32.8 | Very low | 31.8 | Very low | 79 Ų | 79 | 124.7 Ų | 124.7 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | 125.7 | 141.6 | 103.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1883 | G | 31.4 | Very low | 32 | Very low | 84.4 Ų | 84.4 | 124.1 Ų | 124.1 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | cis | 131.4 | 126.7 | 19.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1884 | G | 32.9 | Very low | 32.2 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 109.1 | 124.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1885 | N | 33.1 | Very low | 32.4 | Very low | 146.4 Ų | 146.4 | 123.8 Ų | 123.8 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | 106.9 | 144.5 | 73.1 | -104.2 | -9.1 | 0 | 0 | 0 | 115.3 | |||||
| 1886 | N | 34.5 | Very low | 32.4 | Very low | 130.8 Ų | 130.8 | 123.9 Ų | 123.9 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 90.1 | 134.2 | 148 | -66.3 | -37.5 | 0 | 0 | 0 | 119.9 | ||||
| 1887 | N | 33 | Very low | 32.4 | Very low | 155.8 Ų | 155.8 | 124 Ų | 124 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | 171.9 | 141.4 | 84 | -80 | -40.7 | 0 | 0 | 0 | 113 | |||||
| 1888 | G | 32.9 | Very low | 32.3 | Very low | 69 Ų | 69 | 123 Ų | 123 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 150.8 | 99.6 | 131.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1889 | R | 30.9 | Very low | 32.3 | Very low | 242.2 Ų | 242.2 | 120.9 Ų | 120.9 | 91% | 0.914 | 77% | 0.765 | S | S | * | * | 50.3 | 134.6 | 123.1 | -83.8 | 179.9 | 166.6 | 170.3 | -4.4 | 115.9 | |||||
| 1890 | S | 32.3 | Very low | 32.2 | Very low | 110.4 Ų | 110.4 | 119.7 Ų | 119.7 | 77% | 0.772 | 77% | 0.767 | S | S | * | * | trans | 83.6 | 140.8 | 136.7 | 65.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1891 | S | 34.7 | Very low | 32 | Very low | 100.2 Ų | 100.2 | 119.1 Ų | 119.1 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -173.6 | 154.1 | 11.8 | 44 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1892 | N | 31.9 | Very low | 31.9 | Very low | 148 Ų | 148 | 115.1 Ų | 115.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | 67.3 | 139.7 | 122.1 | -77.4 | 3.9 | 0 | 0 | 0 | 116.8 | |||||
| 1893 | S | 32.4 | Very low | 31.7 | Very low | 100.8 Ų | 100.8 | 116.7 Ų | 116.7 | 71% | 0.705 | 77% | 0.77 | S | S | * | * | 111.2 | 152.5 | 91.2 | 55.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 1894 | S | 32.9 | Very low | 31.7 | Very low | 98.4 Ų | 98.4 | 117 Ų | 117 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | cis | 147.5 | 141.2 | 43.8 | 43.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1895 | S | 31.5 | Very low | 31.5 | Very low | 104.6 Ų | 104.6 | 120 Ų | 120 | 73% | 0.731 | 76% | 0.756 | S | S | * | * | trans | 70.7 | 129.5 | 141.8 | 57.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1896 | S | 31.3 | Very low | 31.4 | Very low | 98.8 Ų | 98.8 | 120.1 Ų | 120.1 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | 117.2 | 131.2 | 90 | 53.9 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1897 | N | 29.9 | Very low | 31.1 | Very low | 149.2 Ų | 149.2 | 118.9 Ų | 118.9 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | 93.1 | 119.9 | 114.1 | -77.2 | -4 | 0 | 0 | 0 | 119.5 | |||||
| 1898 | S | 30.5 | Very low | 30.9 | Very low | 105.4 Ų | 105.4 | 118.9 Ų | 118.9 | 74% | 0.737 | 76% | 0.758 | S | S | * | * | trans | 69 | 123.1 | 133.2 | 60.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1899 | S | 31 | Very low | 30.7 | Very low | 113.2 Ų | 113.2 | 120 Ų | 120 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | 105.1 | 118.6 | 128.8 | 48.5 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1900 | S | 28.8 | Very low | 30.7 | Very low | 106.4 Ų | 106.4 | 114.8 Ų | 114.8 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | -169.6 | 140.8 | 149 | 58.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1901 | S | 30.7 | Very low | 30.7 | Very low | 124.6 Ų | 124.6 | 116.3 Ų | 116.3 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | trans | 109.4 | 141.4 | 140.1 | 59.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1902 | G | 29.5 | Very low | 30.5 | Very low | 72.4 Ų | 72.4 | 117.5 Ų | 117.5 | 75% | 0.746 | 74% | 0.742 | S | S | * | * | 127.8 | 107.5 | 120 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1903 | S | 30.2 | Very low | 30.4 | Very low | 113.6 Ų | 113.6 | 118.1 Ų | 118.1 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | 74.7 | 132.1 | 112.3 | 175.8 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1904 | S | 31.2 | Very low | 30.3 | Very low | 89.8 Ų | 89.8 | 119.2 Ų | 119.2 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | 106.3 | 135.2 | 74.6 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1905 | N | 29.1 | Very low | 30.2 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | 123.9 | 140.4 | 101.9 | -70 | -3.2 | 0 | 0 | 0 | 115.5 | |||||
| 1906 | N | 29.3 | Very low | 30.1 | Very low | 149.4 Ų | 149.4 | 124.3 Ų | 124.3 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | 108.2 | 137.4 | 106.1 | -79.4 | -3.4 | 0 | 0 | 0 | 116.8 | |||||
| 1907 | S | 28.5 | Very low | 30 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | 164.3 | 131 | 158.5 | 7.5 | 0 | 0 | 0 | 0 | 115.5 | S1909 | S1907-S1909 PolarHBondContact O-N 3.14Å; S1907-S1909 PolarHBondContact O-OG 3.32Å | ||
| 1908 | D | 29.1 | Very low | 30 | Very low | 155.8 Ų | 155.8 | 120.9 Ų | 120.9 | 83% | 0.833 | 71% | 0.713 | S | S | * | * | trans | 50.4 | 120 | 149.4 | -50 | -38.5 | 0 | 0 | 0 | 118.8 | ||||
| 1909 | S | 28.8 | Very low | 30.1 | Very low | 93.2 Ų | 93.2 | 122.9 Ų | 122.9 | 65% | 0.652 | 71% | 0.708 | S | S | * | * | trans | 161.7 | 121.4 | 142.7 | 61.3 | 0 | 0 | 0 | 0 | 115.7 | S1907 D1911 | S1907-S1909 PolarHBondContact O-N 3.14Å; S1907-S1909 PolarHBondContact O-OG 3.32Å; S1909-D1911 PolarHBondContact O-N 3.26Å | ||
| 1910 | N | 30.4 | Very low | 29.9 | Very low | 132.6 Ų | 132.6 | 123 Ų | 123 | 71% | 0.709 | 70% | 0.699 | S | S | * | * | trans | 162 | -18.2 | 154.4 | -75.3 | -5.8 | 0 | 0 | 0 | 117.1 | I1912 E1913 | N1910-I1912 VanDerWaalsContact C-N 3.28Å; N1910-I1912 PolarHBondContact O-N 3.05Å; N1910-E1913 PolarHBondContact O-N 2.84Å | ||
| 1911 | D | 32 | Very low | 30 | Very low | 141.6 Ų | 141.6 | 123.2 Ų | 123.2 | 76% | 0.757 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 22.8 | -171.2 | -78.1 | -19.5 | 0 | 0 | 0 | 116.3 | S1909 | S1909-D1911 PolarHBondContact O-N 3.26Š|
| 1912 | I | 32 | Very low | 30 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 65% | 0.646 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -13.8 | 178.2 | -65.9 | 175.4 | 0 | 0 | 0 | 115.1 | N1910 N1916 | N1910-I1912 VanDerWaalsContact C-N 3.28Å; N1910-I1912 PolarHBondContact O-N 3.05Å; I1912-N1916 PolarHBondContact O-N 2.97Å; I1912-N1916 PolarHBondContact O-ND2 3.15Å |
| 1913 | E | 28.9 | Very low | 30.1 | Very low | 161 Ų | 161 | 122.5 Ų | 122.5 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -48.4 | 173.5 | -65.8 | -167.9 | 150.3 | 0 | 0 | 115.3 | N1910 R1915 N1916 L1917 | N1910-E1913 PolarHBondContact O-N 2.84Å; E1913-R1915 VanDerWaalsContact C-N 3.34Å; E1913-R1915 PolarHBondContact O-N 3.13Å; E1913-R1915 VanDerWaalsContact O-N 3.14Å; E1913-N1916 PolarHBondContact O-N 3.31Å; E1913-N1916 VanDerWaalsContact O-N 3.13Å; E1913-L1917 WeakPolarHBondContact O-CB 3.44Å; E1913-L1917 PolarHBondContact O-N 3.31Å |
| 1914 | D | 30.3 | Very low | 30.4 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 66% | 0.663 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -47.6 | -20.1 | 176.4 | -82.5 | -21.7 | 0 | 0 | 0 | 115.5 | N1916 L1917 S1918 | D1914-N1916 VanDerWaalsContact C-N 3.29Å; D1914-N1916 PolarHBondContact O-N 3.04Å; D1914-L1917 WeakPolarHBondContact O-CB 3.47Å; D1914-L1917 PolarHBondContact O-N 2.81Å; D1914-S1918 VanDerWaalsContact O-CB 3.29Å; D1914-S1918 WeakPolarHBondContact O-CB 3.42Å; D1914-S1918 PolarHBondContact O-N 3.14Å; D1914-S1918 PolarHBondContact O-OG 3.1Å |
| 1915 | R | 31.7 | Very low | 30.6 | Very low | 206.2 Ų | 206.2 | 121.2 Ų | 121.2 | 78% | 0.778 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -86.9 | -7.1 | 166.8 | -86.7 | -177.4 | 174 | -169 | -0.2 | 113.7 | E1913 S1918 K1919 | E1913-R1915 VanDerWaalsContact C-N 3.34Å; E1913-R1915 PolarHBondContact O-N 3.13Å; E1913-R1915 VanDerWaalsContact O-N 3.14Å; R1915-S1918 WeakPolarHBondContact CA-OG 3.48Å; R1915-S1918 PolarHBondContact O-OG 3.43Å; R1915-K1919 VanDerWaalsContact O-CD 3.28Å; R1915-K1919 WeakPolarHBondContact O-CD 3.45Å; R1915-K1919 VanDerWaalsContact O-CE 3.25Å; R1915-K1919 WeakPolarHBondContact O-CE 3.45Å; R1915-K1919 VanDerWaalsContact O-CG 3.31Å; R1915-K1919 WeakPolarHBondContact O-CG 3.36Å |
| 1916 | N | 29.1 | Very low | 31 | Very low | 103.6 Ų | 103.6 | 118.3 Ų | 118.3 | 55% | 0.554 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -102.1 | -21.8 | 173.1 | -79.9 | -32.3 | 0 | 0 | 0 | 111.7 | I1912 E1913 D1914 S1918 K1919 L1920 | I1912-N1916 PolarHBondContact O-N 2.97Å; I1912-N1916 PolarHBondContact O-ND2 3.15Å; E1913-N1916 PolarHBondContact O-N 3.31Å; E1913-N1916 VanDerWaalsContact O-N 3.13Å; D1914-N1916 VanDerWaalsContact C-N 3.29Å; D1914-N1916 PolarHBondContact O-N 3.04Å; N1916-S1918 VanDerWaalsContact C-N 3.28Å; N1916-S1918 PolarHBondContact O-N 2.89Å; N1916-K1919 PolarHBondContact O-N 3Å; N1916-K1919 VanDerWaalsContact O-N 3.09Å; N1916-L1920 WeakPolarHBondContact O-CB 3.36Å; N1916-L1920 PolarHBondContact O-N 3.19Å |
| 1917 | L | 28.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 116.5 Ų | 116.5 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.6 | -35.9 | 174 | -133.7 | 104.1 | 0 | 0 | 0 | 112.5 | E1913 D1914 K1919 L1920 L1921 | E1913-L1917 WeakPolarHBondContact O-CB 3.44Å; E1913-L1917 PolarHBondContact O-N 3.31Å; D1914-L1917 WeakPolarHBondContact O-CB 3.47Å; D1914-L1917 PolarHBondContact O-N 2.81Å; L1917-K1919 VanDerWaalsContact C-N 3.31Å; L1917-K1919 PolarHBondContact O-N 3.07Å; L1917-L1920 PolarHBondContact O-N 3.13Å; L1917-L1921 HydrophobicContact CD2-CD1 4.29Å; L1917-L1921 HydrophobicContact CG-CD1 4.17Å; L1917-L1921 HydrophobicContact CG-CG 4.43Å; L1917-L1921 WeakPolarHBondContact O-CA 3.43Å; L1917-L1921 VanDerWaalsContact O-CB 3.3Å; L1917-L1921 WeakPolarHBondContact O-CB 3.33Å; L1917-L1921 WeakPolarHBondContact O-CD1 3.41Å; L1917-L1921 VanDerWaalsContact O-CG 3.23Å; L1917-L1921 WeakPolarHBondContact O-CG 3.38Å; L1917-L1921 PolarHBondContact O-N 3.23Å |
| 1918 | S | 31.7 | Very low | 32.1 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.9 | -33.8 | 176.8 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | D1914 R1915 N1916 L1920 L1921 Y1922 | D1914-S1918 VanDerWaalsContact O-CB 3.29Å; D1914-S1918 WeakPolarHBondContact O-CB 3.42Å; D1914-S1918 PolarHBondContact O-N 3.14Å; D1914-S1918 PolarHBondContact O-OG 3.1Å; R1915-S1918 WeakPolarHBondContact CA-OG 3.48Å; R1915-S1918 PolarHBondContact O-OG 3.43Å; N1916-S1918 VanDerWaalsContact C-N 3.28Å; N1916-S1918 PolarHBondContact O-N 2.89Å; S1918-L1920 PolarHBondContact O-N 3.11Å; S1918-L1921 PolarHBondContact O-N 3.03Å; S1918-Y1922 WeakPolarHBondContact O-CB 3.28Å; S1918-Y1922 WeakPolarHBondContact O-CD2 3.4Å; S1918-Y1922 PolarHBondContact O-N 3.06Å; S1918-Y1922 VanDerWaalsContact O-N 3.12Å |
| 1919 | K | 30.9 | Very low | 32.5 | Very low | 145.6 Ų | 145.6 | 110.1 Ų | 110.1 | 63% | 0.633 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.4 | -37.9 | 177.4 | -74.3 | -178.9 | 178.7 | 177.7 | 0 | 113.4 | R1915 N1916 L1917 L1921 Y1922 S1923 | R1915-K1919 VanDerWaalsContact O-CD 3.28Å; R1915-K1919 WeakPolarHBondContact O-CD 3.45Å; R1915-K1919 VanDerWaalsContact O-CE 3.25Å; R1915-K1919 WeakPolarHBondContact O-CE 3.45Å; R1915-K1919 VanDerWaalsContact O-CG 3.31Å; R1915-K1919 WeakPolarHBondContact O-CG 3.36Å; N1916-K1919 PolarHBondContact O-N 3Å; N1916-K1919 VanDerWaalsContact O-N 3.09Å; L1917-K1919 VanDerWaalsContact C-N 3.31Å; L1917-K1919 PolarHBondContact O-N 3.07Å; K1919-L1921 VanDerWaalsContact C-N 3.31Å; K1919-L1921 PolarHBondContact O-N 3.03Å; K1919-Y1922 PolarHBondContact O-N 3.08Å; K1919-Y1922 VanDerWaalsContact O-N 3.12Å; K1919-S1923 PolarHBondContact O-N 3.04Å; K1919-S1923 PolarHBondContact O-OG 3.33Å; K1919-S1923 VanDerWaalsContact O-OG 3.1Å |
| 1920 | L | 27.4 | Very low | 33.1 | Very low | 115.8 Ų | 115.8 | 108.6 Ų | 108.6 | 61% | 0.606 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.1 | -32 | 178.4 | -121.6 | 95 | 0 | 0 | 0 | 112.6 | N1916 L1917 S1918 Y1922 S1923 N1924 | N1916-L1920 WeakPolarHBondContact O-CB 3.36Å; N1916-L1920 PolarHBondContact O-N 3.19Å; L1917-L1920 PolarHBondContact O-N 3.13Å; S1918-L1920 PolarHBondContact O-N 3.11Å; L1920-Y1922 VanDerWaalsContact C-N 3.33Å; L1920-Y1922 PolarHBondContact O-N 3.26Å; L1920-S1923 PolarHBondContact O-OG 3.2Å; L1920-S1923 VanDerWaalsContact O-OG 3.13Å; L1920-N1924 WeakPolarHBondContact O-CA 3.34Å; L1920-N1924 VanDerWaalsContact O-CB 3.24Å; L1920-N1924 WeakPolarHBondContact O-CB 3.44Å; L1920-N1924 PolarHBondContact O-N 2.98Å; L1920-N1924 PolarHBondContact O-ND2 3.14Å; L1920-N1924 PolarHBondContact O-OD1 3.44Å |
| 1921 | L | 30.6 | Very low | 33.7 | Very low | 110.8 Ų | 110.8 | 106 Ų | 106 | 58% | 0.58 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -74.7 | -33 | 173.8 | -75.3 | 166.1 | 0 | 0 | 0 | 111.9 | L1917 S1918 K1919 N1924 F1925 | L1917-L1921 HydrophobicContact CD2-CD1 4.29Å; L1917-L1921 HydrophobicContact CG-CD1 4.17Å; L1917-L1921 HydrophobicContact CG-CG 4.43Å; L1917-L1921 WeakPolarHBondContact O-CA 3.43Å; L1917-L1921 VanDerWaalsContact O-CB 3.3Å; L1917-L1921 WeakPolarHBondContact O-CB 3.33Å; L1917-L1921 WeakPolarHBondContact O-CD1 3.41Å; L1917-L1921 VanDerWaalsContact O-CG 3.23Å; L1917-L1921 WeakPolarHBondContact O-CG 3.38Å; L1917-L1921 PolarHBondContact O-N 3.23Å; S1918-L1921 PolarHBondContact O-N 3.03Å; K1919-L1921 VanDerWaalsContact C-N 3.31Å; K1919-L1921 PolarHBondContact O-N 3.03Å; L1921-N1924 PolarHBondContact O-N 2.9Å; L1921-F1925 WeakPolarHBondContact O-CA 3.3Å; L1921-F1925 VanDerWaalsContact O-CB 3.25Å; L1921-F1925 WeakPolarHBondContact O-CB 3.26Å; L1921-F1925 PolarHBondContact O-N 3.06Å |
| 1922 | Y | 30.4 | Very low | 34.1 | Very low | 122.8 Ų | 122.8 | 100.5 Ų | 100.5 | 48% | 0.482 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71 | -40.9 | -179.8 | -131.7 | -96.3 | 0 | 0 | 0 | 112.8 | S1918 K1919 L1920 F1925 H1926 Y1953 Y1972 | S1918-Y1922 WeakPolarHBondContact O-CB 3.28Å; S1918-Y1922 WeakPolarHBondContact O-CD2 3.4Å; S1918-Y1922 PolarHBondContact O-N 3.06Å; S1918-Y1922 VanDerWaalsContact O-N 3.12Å; K1919-Y1922 PolarHBondContact O-N 3.08Å; K1919-Y1922 VanDerWaalsContact O-N 3.12Å; L1920-Y1922 VanDerWaalsContact C-N 3.33Å; L1920-Y1922 PolarHBondContact O-N 3.26Å; Y1922-F1925 PolarHBondContact O-N 3.31Å; Y1922-H1926 AromaticContact CE1-CD2 3.83Å; Y1922-H1926 AromaticContact CE1-NE2 3.87Å; Y1922-H1926 AromaticContact CZ-CD2 3.96Å; Y1922-H1926 AromaticContact CZ-NE2 3.6Å; Y1922-H1926 PolarHBondContact O-CD2 2.85Å; Y1922-H1926 PolarHBondContact O-N 3.02Å; Y1922-H1926 VanDerWaalsContact O-N 3.11Å; Y1922-Y1953 HydrophobicContact CD2-CE2 4.32Å; Y1922-Y1953 AromaticContact CD2-CZ 3.9Å; Y1922-Y1953 WeakPolarHBondContact CD2-OH 3.36Å; Y1922-Y1953 AromaticContact CE2-CE1 3.87Å; Y1922-Y1953 HydrophobicContact CE2-CE1 3.87Å; Y1922-Y1953 HydrophobicContact CE2-CE2 4.3Å; Y1922-Y1953 AromaticContact CE2-CZ 3.58Å; Y1922-Y1953 WeakPolarHBondContact CE2-OH 3.43Å; Y1922-Y1972 HydrophobicContact CD1-CD2 4.31Å; Y1922-Y1972 HydrophobicContact CD2-CE2 4.41Å; Y1922-Y1972 AromaticContact CE1-CD2 3.39Å; Y1922-Y1972 HydrophobicContact CE1-CD2 3.74Å; Y1922-Y1972 AromaticContact CE1-CE2 3.64Å; Y1922-Y1972 HydrophobicContact CE1-CE2 3.64Å; Y1922-Y1972 AromaticContact CE1-CG 3.9Å; Y1922-Y1972 HydrophobicContact CE1-CG 3.9Å; Y1922-Y1972 HydrophobicContact CE2-CD2 4.16Å; Y1922-Y1972 AromaticContact CE2-CE2 3.6Å; Y1922-Y1972 HydrophobicContact CE2-CE2 3.6Å; Y1922-Y1972 AromaticContact CE2-CZ 3.83Å; Y1922-Y1972 AromaticContact CZ-CD2 3.33Å; Y1922-Y1972 AromaticContact CZ-CE2 3.49Å; Y1922-Y1972 AromaticContact CZ-CG 3.75Å; Y1922-Y1972 AromaticContact CZ-CZ 3.6Å; Y1922-Y1972 WeakPolarHBondContact OH-CD1 3.31Å; Y1922-Y1972 VanDerWaalsContact OH-CD2 3.24Å; Y1922-Y1972 WeakPolarHBondContact OH-CD2 3.33Å; Y1922-Y1972 WeakPolarHBondContact OH-CE1 3.26Å; Y1922-Y1972 VanDerWaalsContact OH-CE2 3.28Å; Y1922-Y1972 WeakPolarHBondContact OH-CE2 3.27Å; Y1922-Y1972 VanDerWaalsContact OH-CZ 3.22Å; Y1922-Y1972 PolarHBondContact OH-OH 3.21Å |
| 1923 | S | 32.2 | Very low | 34.6 | Very low | 59.2 Ų | 59.2 | 96.9 Ų | 96.9 | 41% | 0.414 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 174.2 | 52.9 | 0 | 0 | 0 | 0 | 111.4 | K1919 L1920 F1925 H1926 E1927 | K1919-S1923 PolarHBondContact O-N 3.04Å; K1919-S1923 PolarHBondContact O-OG 3.33Å; K1919-S1923 VanDerWaalsContact O-OG 3.1Å; L1920-S1923 PolarHBondContact O-OG 3.2Å; L1920-S1923 VanDerWaalsContact O-OG 3.13Å; S1923-F1925 VanDerWaalsContact C-N 3.28Å; S1923-F1925 PolarHBondContact O-N 3.11Å; S1923-H1926 WeakPolarHBondContact O-CB 3.32Å; S1923-H1926 PolarHBondContact O-N 3.2Å; S1923-H1926 VanDerWaalsContact O-N 3.14Å; S1923-E1927 VanDerWaalsContact O-CB 3.23Å; S1923-E1927 WeakPolarHBondContact O-CB 3.33Å; S1923-E1927 PolarHBondContact O-N 3.14Å |
| 1924 | N | 36 | Very low | 35.2 | Very low | 68.4 Ų | 68.4 | 95.9 Ų | 95.9 | 37% | 0.366 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 178.8 | -76.8 | -28.9 | 0 | 0 | 0 | 112.3 | L1920 L1921 E1927 Q1928 | L1920-N1924 WeakPolarHBondContact O-CA 3.34Å; L1920-N1924 VanDerWaalsContact O-CB 3.24Å; L1920-N1924 WeakPolarHBondContact O-CB 3.44Å; L1920-N1924 PolarHBondContact O-N 2.98Å; L1920-N1924 PolarHBondContact O-ND2 3.14Å; L1920-N1924 PolarHBondContact O-OD1 3.44Å; L1921-N1924 PolarHBondContact O-N 2.9Å; N1924-E1927 PolarHBondContact O-N 3.08Å; N1924-Q1928 WeakPolarHBondContact O-CA 3.43Å; N1924-Q1928 VanDerWaalsContact O-CB 3.32Å; N1924-Q1928 WeakPolarHBondContact O-CB 3.34Å; N1924-Q1928 VanDerWaalsContact O-CD 3.31Å; N1924-Q1928 VanDerWaalsContact O-CG 3.24Å; N1924-Q1928 WeakPolarHBondContact O-CG 3.4Å; N1924-Q1928 PolarHBondContact O-N 2.92Å; N1924-Q1928 PolarHBondContact OD1-NE2 2.85Å |
| 1925 | F | 35.5 | Very low | 36 | Very low | 107.6 Ų | 107.6 | 92.8 Ų | 92.8 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.2 | -44.8 | 177.3 | -178.7 | -100.1 | 0 | 0 | 0 | 111.5 | L1921 Y1922 S1923 E1927 Q1928 C1929 C1949 | L1921-F1925 WeakPolarHBondContact O-CA 3.3Å; L1921-F1925 VanDerWaalsContact O-CB 3.25Å; L1921-F1925 WeakPolarHBondContact O-CB 3.26Å; L1921-F1925 PolarHBondContact O-N 3.06Å; Y1922-F1925 PolarHBondContact O-N 3.31Å; S1923-F1925 VanDerWaalsContact C-N 3.28Å; S1923-F1925 PolarHBondContact O-N 3.11Å; F1925-E1927 VanDerWaalsContact C-N 3.33Å; F1925-E1927 PolarHBondContact O-N 2.92Å; F1925-Q1928 PolarHBondContact O-N 3.14Å; F1925-C1929 VanDerWaalsContact CZ-SG 3.57Å; F1925-C1929 WeakPolarHBondContact CZ-SG 3.4Å; F1925-C1929 VanDerWaalsContact O-CB 3.25Å; F1925-C1929 WeakPolarHBondContact O-CB 3.32Å; F1925-C1929 PolarHBondContact O-N 3.31Å; F1925-C1929 PolarHBondContact O-SG 3.1Å; F1925-C1929 VanDerWaalsContact O-SG 3.37Å; F1925-C1949 HydrophobicContact CZ-CB 4.39Å |
| 1926 | H | 38.7 | Very low | 36.4 | Very low | 80 Ų | 80 | 84.8 Ų | 84.8 | 37% | 0.37 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 173.8 | -101.8 | -72.1 | 0 | 0 | 0 | 111.7 | P1693 Y1922 S1923 Q1928 C1929 F1930 | P1693-H1926 WeakPolarHBondContact CG-ND1 3.25Å; Y1922-H1926 AromaticContact CE1-CD2 3.83Å; Y1922-H1926 AromaticContact CE1-NE2 3.87Å; Y1922-H1926 AromaticContact CZ-CD2 3.96Å; Y1922-H1926 AromaticContact CZ-NE2 3.6Å; Y1922-H1926 PolarHBondContact O-CD2 2.85Å; Y1922-H1926 PolarHBondContact O-N 3.02Å; Y1922-H1926 VanDerWaalsContact O-N 3.11Å; S1923-H1926 WeakPolarHBondContact O-CB 3.32Å; S1923-H1926 PolarHBondContact O-N 3.2Å; S1923-H1926 VanDerWaalsContact O-N 3.14Å; H1926-Q1928 VanDerWaalsContact C-N 3.32Å; H1926-Q1928 PolarHBondContact O-N 3.1Å; H1926-C1929 PolarHBondContact O-N 3.13Å; H1926-F1930 HydrophobicContact CB-CD2 4.08Å; H1926-F1930 HydrophobicContact CB-CE2 4.06Å; H1926-F1930 AromaticContact CE1-CE2 3.66Å; H1926-F1930 AromaticContact ND1-CD2 3.81Å; H1926-F1930 AromaticContact ND1-CE2 3.55Å; H1926-F1930 VanDerWaalsContact O-CB 3.26Å; H1926-F1930 WeakPolarHBondContact O-CB 3.34Å; H1926-F1930 WeakPolarHBondContact O-CD2 3.3Å; H1926-F1930 WeakPolarHBondContact O-CG 3.33Å; H1926-F1930 PolarHBondContact O-N 3.13Å |
| 1927 | E | 41.9 | Very low | 37 | Very low | 110.6 Ų | 110.6 | 86 Ų | 86 | 52% | 0.517 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 178 | -174.1 | 170.7 | -176 | 0 | 0 | 112.3 | S1923 N1924 F1925 F1930 N1931 | S1923-E1927 VanDerWaalsContact O-CB 3.23Å; S1923-E1927 WeakPolarHBondContact O-CB 3.33Å; S1923-E1927 PolarHBondContact O-N 3.14Å; N1924-E1927 PolarHBondContact O-N 3.08Å; F1925-E1927 VanDerWaalsContact C-N 3.33Å; F1925-E1927 PolarHBondContact O-N 2.92Å; E1927-F1930 PolarHBondContact O-N 3.43Å; E1927-N1931 WeakPolarHBondContact CG-ND2 3.34Å; E1927-N1931 VanDerWaalsContact O-CB 3.25Å; E1927-N1931 WeakPolarHBondContact O-CB 3.33Å; E1927-N1931 VanDerWaalsContact O-CG 3.26Å; E1927-N1931 PolarHBondContact O-N 3.1Å; E1927-N1931 PolarHBondContact O-ND2 2.89Å; E1927-N1931 VanDerWaalsContact O-ND2 3.14Å |
| 1928 | Q | 38.4 | Very low | 37.8 | Very low | 97.8 Ų | 97.8 | 84.7 Ų | 84.7 | 46% | 0.457 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.3 | -43.9 | 174.8 | -74.4 | 170 | 9.3 | 0 | 0 | 111.7 | N1924 F1925 H1926 F1930 N1931 S1932 | N1924-Q1928 WeakPolarHBondContact O-CA 3.43Å; N1924-Q1928 VanDerWaalsContact O-CB 3.32Å; N1924-Q1928 WeakPolarHBondContact O-CB 3.34Å; N1924-Q1928 VanDerWaalsContact O-CD 3.31Å; N1924-Q1928 VanDerWaalsContact O-CG 3.24Å; N1924-Q1928 WeakPolarHBondContact O-CG 3.4Å; N1924-Q1928 PolarHBondContact O-N 2.92Å; N1924-Q1928 PolarHBondContact OD1-NE2 2.85Å; F1925-Q1928 PolarHBondContact O-N 3.14Å; H1926-Q1928 VanDerWaalsContact C-N 3.32Å; H1926-Q1928 PolarHBondContact O-N 3.1Å; Q1928-F1930 VanDerWaalsContact C-N 3.32Å; Q1928-F1930 PolarHBondContact O-N 3.19Å; Q1928-N1931 CarbonylContact O-C 3.58Å; Q1928-N1931 PolarHBondContact O-N 3.09Å; Q1928-S1932 VanDerWaalsContact O-CB 3.26Å; Q1928-S1932 WeakPolarHBondContact O-CB 3.27Å; Q1928-S1932 PolarHBondContact O-N 3.08Å; Q1928-S1932 PolarHBondContact O-OG 3.26Å; Q1928-S1932 VanDerWaalsContact O-OG 3.04Å |
| 1929 | C | 37.4 | Very low | 38.5 | Very low | 28 Ų | 28 | 86.8 Ų | 86.8 | 19% | 0.189 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 173.5 | -72.7 | 0 | 0 | 0 | 0 | 111.3 | F1925 H1926 N1931 S1932 F1933 I1943 | F1925-C1929 VanDerWaalsContact CZ-SG 3.57Å; F1925-C1929 WeakPolarHBondContact CZ-SG 3.4Å; F1925-C1929 VanDerWaalsContact O-CB 3.25Å; F1925-C1929 WeakPolarHBondContact O-CB 3.32Å; F1925-C1929 PolarHBondContact O-N 3.31Å; F1925-C1929 PolarHBondContact O-SG 3.1Å; F1925-C1929 VanDerWaalsContact O-SG 3.37Å; H1926-C1929 PolarHBondContact O-N 3.13Å; C1929-N1931 VanDerWaalsContact C-N 3.33Å; C1929-N1931 PolarHBondContact O-N 3.19Å; C1929-S1932 CarbonylContact O-C 3.56Å; C1929-S1932 WeakPolarHBondContact O-CA 3.47Å; C1929-S1932 WeakPolarHBondContact O-CB 3.38Å; C1929-S1932 PolarHBondContact O-N 3.18Å; C1929-S1932 VanDerWaalsContact O-N 3.13Å; C1929-F1933 HydrophobicContact CB-CD2 4.21Å; C1929-F1933 HydrophobicContact CB-CE2 4.01Å; C1929-F1933 WeakPolarHBondContact O-CB 3.35Å; C1929-F1933 WeakPolarHBondContact O-CD2 3.35Å; C1929-F1933 WeakPolarHBondContact O-CG 3.45Å; C1929-F1933 PolarHBondContact O-N 3.02Å; C1929-F1933 VanDerWaalsContact O-N 3.11Å; C1929-I1943 HydrophobicContact CB-CD1 4.15Å |
| 1930 | F | 41.6 | Very low | 39.2 | Very low | 62 Ų | 62 | 80.6 Ų | 80.6 | 27% | 0.272 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.9 | -37.1 | 178.4 | -116.5 | -88.6 | 0 | 0 | 0 | 112.8 | P1693 H1926 E1927 Q1928 S1932 F1933 R1934 M1974 L2028 D2036 | P1693-F1930 HydrophobicContact CB-CB 4.13Å; P1693-F1930 HydrophobicContact CB-CD2 3.71Å; P1693-F1930 HydrophobicContact CB-CG 4.25Å; H1926-F1930 HydrophobicContact CB-CD2 4.08Å; H1926-F1930 HydrophobicContact CB-CE2 4.06Å; H1926-F1930 AromaticContact CE1-CE2 3.66Å; H1926-F1930 AromaticContact ND1-CD2 3.81Å; H1926-F1930 AromaticContact ND1-CE2 3.55Å; H1926-F1930 VanDerWaalsContact O-CB 3.26Å; H1926-F1930 WeakPolarHBondContact O-CB 3.34Å; H1926-F1930 WeakPolarHBondContact O-CD2 3.3Å; H1926-F1930 WeakPolarHBondContact O-CG 3.33Å; H1926-F1930 PolarHBondContact O-N 3.13Å; E1927-F1930 PolarHBondContact O-N 3.43Å; Q1928-F1930 VanDerWaalsContact C-N 3.32Å; Q1928-F1930 PolarHBondContact O-N 3.19Å; F1930-S1932 VanDerWaalsContact C-N 3.34Å; F1930-S1932 PolarHBondContact O-N 2.93Å; F1930-F1933 AromaticContact CD1-CD2 3.76Å; F1930-F1933 HydrophobicContact CD1-CD2 4.06Å; F1930-F1933 AromaticContact CD1-CE2 3.98Å; F1930-F1933 HydrophobicContact CD1-CE2 3.98Å; F1930-F1933 HydrophobicContact CD1-CG 4.39Å; F1930-F1933 HydrophobicContact CE1-CD2 4.31Å; F1930-F1933 HydrophobicContact CE1-CE2 4.08Å; F1930-F1933 WeakPolarHBondContact O-CB 3.43Å; F1930-F1933 PolarHBondContact O-N 3Å; F1930-R1934 WeakPolarHBondContact O-CB 3.35Å; F1930-R1934 PolarHBondContact O-N 3.11Å; F1930-R1934 VanDerWaalsContact O-N 3.07Å; F1930-M1974 HydrophobicContact CE1-CG 4.5Å; F1930-M1974 HydrophobicContact CZ-CG 3.87Å; F1930-M1974 HydrophobicContact CZ-SD 4.3Å; F1930-L2028 HydrophobicContact CE2-CD1 4.26Å; F1930-L2028 HydrophobicContact CE2-CD2 4.47Å; F1930-L2028 HydrophobicContact CZ-CD2 4.1Å; F1930-D2036 VanDerWaalsContact CZ-OD2 3.24Å; F1930-D2036 WeakPolarHBondContact CZ-OD2 3.48Å |
| 1931 | N | 42.8 | Very low | 40.1 | Very low | 78.4 Ų | 78.4 | 77.4 Ų | 77.4 | 42% | 0.419 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.6 | -34.7 | 172.3 | -72.9 | -27.7 | 0 | 0 | 0 | 111.8 | E1927 Q1928 C1929 F1933 R1934 S1935 | E1927-N1931 WeakPolarHBondContact CG-ND2 3.34Å; E1927-N1931 VanDerWaalsContact O-CB 3.25Å; E1927-N1931 WeakPolarHBondContact O-CB 3.33Å; E1927-N1931 VanDerWaalsContact O-CG 3.26Å; E1927-N1931 PolarHBondContact O-N 3.1Å; E1927-N1931 PolarHBondContact O-ND2 2.89Å; E1927-N1931 VanDerWaalsContact O-ND2 3.14Å; Q1928-N1931 CarbonylContact O-C 3.58Å; Q1928-N1931 PolarHBondContact O-N 3.09Å; C1929-N1931 VanDerWaalsContact C-N 3.33Å; C1929-N1931 PolarHBondContact O-N 3.19Å; N1931-F1933 VanDerWaalsContact C-N 3.34Å; N1931-F1933 PolarHBondContact O-N 3.42Å; N1931-R1934 CarbonylContact O-C 3.52Å; N1931-R1934 WeakPolarHBondContact O-CB 3.49Å; N1931-R1934 PolarHBondContact O-N 3.21Å; N1931-R1934 VanDerWaalsContact O-N 3.15Å; N1931-S1935 VanDerWaalsContact O-CB 3.27Å; N1931-S1935 WeakPolarHBondContact O-CB 3.37Å; N1931-S1935 PolarHBondContact O-N 3.37Å; N1931-S1935 PolarHBondContact O-OG 3.12Å |
| 1932 | S | 41.2 | Very low | 41 | Very low | 26 Ų | 26 | 74.2 Ų | 74.2 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.4 | -28.2 | 173.4 | -62.9 | 0 | 0 | 0 | 0 | 113.7 | Q1928 C1929 F1930 R1934 S1935 G1936 E1937 T1938 Q1939 | Q1928-S1932 VanDerWaalsContact O-CB 3.26Å; Q1928-S1932 WeakPolarHBondContact O-CB 3.27Å; Q1928-S1932 PolarHBondContact O-N 3.08Å; Q1928-S1932 PolarHBondContact O-OG 3.26Å; Q1928-S1932 VanDerWaalsContact O-OG 3.04Å; C1929-S1932 CarbonylContact O-C 3.56Å; C1929-S1932 WeakPolarHBondContact O-CA 3.47Å; C1929-S1932 WeakPolarHBondContact O-CB 3.38Å; C1929-S1932 PolarHBondContact O-N 3.18Å; C1929-S1932 VanDerWaalsContact O-N 3.13Å; F1930-S1932 VanDerWaalsContact C-N 3.34Å; F1930-S1932 PolarHBondContact O-N 2.93Å; S1932-R1934 VanDerWaalsContact C-N 3.34Å; S1932-R1934 PolarHBondContact O-N 2.91Å; S1932-S1935 WeakPolarHBondContact CA-OG 3.29Å; S1932-S1935 PolarHBondContact O-OG 2.96Å; S1932-G1936 PolarHBondContact O-N 3.12Å; S1932-E1937 PolarHBondContact O-N 2.91Å; S1932-T1938 PolarHBondContact O-N 2.94Å; S1932-T1938 PolarHBondContact O-OG1 3.46Å; S1932-Q1939 PolarHBondContact OG-OE1 3.16Å |
| 1933 | F | 41.8 | Very low | 42 | Very low | 50.2 Ų | 50.2 | 69.8 Ų | 69.8 | 22% | 0.22 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.4 | -34.9 | 167.5 | -81.2 | -70 | 0 | 0 | 0 | 111.8 | V1694 C1929 F1930 N1931 V1942 I1943 I1944 A1946 L1947 L2037 I2044 I2045 | V1694-F1933 HydrophobicContact CG2-CD2 4Å; V1694-F1933 HydrophobicContact CG2-CE2 3.75Å; V1694-F1933 HydrophobicContact CG2-CZ 4.36Å; C1929-F1933 HydrophobicContact CB-CD2 4.21Å; C1929-F1933 HydrophobicContact CB-CE2 4.01Å; C1929-F1933 WeakPolarHBondContact O-CB 3.35Å; C1929-F1933 WeakPolarHBondContact O-CD2 3.35Å; C1929-F1933 WeakPolarHBondContact O-CG 3.45Å; C1929-F1933 PolarHBondContact O-N 3.02Å; C1929-F1933 VanDerWaalsContact O-N 3.11Å; F1930-F1933 AromaticContact CD1-CD2 3.76Å; F1930-F1933 HydrophobicContact CD1-CD2 4.06Å; F1930-F1933 AromaticContact CD1-CE2 3.98Å; F1930-F1933 HydrophobicContact CD1-CE2 3.98Å; F1930-F1933 HydrophobicContact CD1-CG 4.39Å; F1930-F1933 HydrophobicContact CE1-CD2 4.31Å; F1930-F1933 HydrophobicContact CE1-CE2 4.08Å; F1930-F1933 WeakPolarHBondContact O-CB 3.43Å; F1930-F1933 PolarHBondContact O-N 3Å; N1931-F1933 VanDerWaalsContact C-N 3.34Å; N1931-F1933 PolarHBondContact O-N 3.42Å; F1933-V1942 HydrophobicContact CB-CG1 4.17Å; F1933-V1942 HydrophobicContact CD1-CG1 3.47Å; F1933-V1942 VanDerWaalsContact CD1-CG1 3.47Å; F1933-V1942 HydrophobicContact CD2-CG1 3.81Å; F1933-V1942 HydrophobicContact CE1-CG1 3.71Å; F1933-V1942 HydrophobicContact CE2-CG1 4.05Å; F1933-V1942 HydrophobicContact CG-CG1 3.52Å; F1933-V1942 HydrophobicContact CZ-CG1 4Å; F1933-I1943 HydrophobicContact CD1-CD1 3.95Å; F1933-I1943 HydrophobicContact CD1-CG1 3.84Å; F1933-I1943 HydrophobicContact CD2-CD1 4.17Å; F1933-I1943 HydrophobicContact CE1-CB 4.16Å; F1933-I1943 HydrophobicContact CE1-CG1 3.97Å; F1933-I1943 HydrophobicContact CE1-CG2 3.75Å; F1933-I1943 HydrophobicContact CE2-CD1 4.01Å; F1933-I1943 HydrophobicContact CE2-CG2 4.15Å; F1933-I1943 HydrophobicContact CZ-CB 4.12Å; F1933-I1943 HydrophobicContact CZ-CD1 4.24Å; F1933-I1943 HydrophobicContact CZ-CG2 3.32Å; F1933-I1944 HydrophobicContact CD1-CD1 4.4Å; F1933-I1944 HydrophobicContact CD1-CG1 4.09Å; F1933-I1944 HydrophobicContact CE1-CD1 3.71Å; F1933-I1944 HydrophobicContact CE1-CG1 4.04Å; F1933-I1944 HydrophobicContact CZ-CD1 4.28Å; F1933-A1946 HydrophobicContact CE2-CB 4.13Å; F1933-A1946 HydrophobicContact CZ-CB 3.96Å; F1933-L1947 HydrophobicContact CE1-CD1 3.91Å; F1933-L1947 HydrophobicContact CZ-CD1 4.09Å; F1933-L2037 HydrophobicContact CE1-CD2 3.8Å; F1933-L2037 HydrophobicContact CZ-CD2 4.33Å; F1933-I2044 HydrophobicContact CE2-CD1 4.02Å; F1933-I2044 HydrophobicContact CZ-CD1 3.86Å; F1933-I2044 HydrophobicContact CZ-CG2 4Å; F1933-I2045 HydrophobicContact CD1-CD1 4.21Å |
| 1934 | R | 41.4 | Very low | 43 | Very low | 140.4 Ų | 140.4 | 68.6 Ų | 68.6 | 53% | 0.53 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -82.1 | -28.9 | -177.5 | -129.7 | -179.7 | -179 | 160.4 | 3.5 | 114 | F1930 N1931 S1932 D2036 | F1930-R1934 WeakPolarHBondContact O-CB 3.35Å; F1930-R1934 PolarHBondContact O-N 3.11Å; F1930-R1934 VanDerWaalsContact O-N 3.07Å; N1931-R1934 CarbonylContact O-C 3.52Å; N1931-R1934 WeakPolarHBondContact O-CB 3.49Å; N1931-R1934 PolarHBondContact O-N 3.21Å; N1931-R1934 VanDerWaalsContact O-N 3.15Å; S1932-R1934 VanDerWaalsContact C-N 3.34Å; S1932-R1934 PolarHBondContact O-N 2.91Å; R1934-D2036 IonicContact CZ-OD1 3.56Å; R1934-D2036 VanDerWaalsContact CZ-OD1 3.27Å; R1934-D2036 IonicContact CZ-OD2 2.96Å; R1934-D2036 IonicContact NH1-OD1 3.33Å; R1934-D2036 PolarHBondContact NH1-OD1 3.28Å; R1934-D2036 IonicContact NH1-OD2 2.67Å; R1934-D2036 PolarHBondContact NH1-OD2 3.22Å; R1934-D2036 IonicContact NH2-OD1 3.98Å; R1934-D2036 PolarHBondContact NH2-OD1 3.3Å |
| 1935 | S | 46.4 | Very low | 43.6 | Very low | 58.2 Ų | 58.2 | 69.5 Ų | 69.5 | 41% | 0.407 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -80.7 | -16.9 | -177.5 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | R1553 N1931 S1932 E1937 | R1553-S1935 WeakPolarHBondContact CD-O 3.44Å; R1553-S1935 VanDerWaalsContact CG-O 3.3Å; R1553-S1935 WeakPolarHBondContact CG-O 3.48Å; R1553-S1935 PolarHBondContact NE-O 3.19Å; N1931-S1935 VanDerWaalsContact O-CB 3.27Å; N1931-S1935 WeakPolarHBondContact O-CB 3.37Å; N1931-S1935 PolarHBondContact O-N 3.37Å; N1931-S1935 PolarHBondContact O-OG 3.12Å; S1932-S1935 WeakPolarHBondContact CA-OG 3.29Å; S1932-S1935 PolarHBondContact O-OG 2.96Å; S1935-E1937 VanDerWaalsContact C-N 3.32Å; S1935-E1937 VanDerWaalsContact CB-OE2 3.25Å; S1935-E1937 WeakPolarHBondContact CB-OE2 3.37Å; S1935-E1937 PolarHBondContact O-N 3.49Å; S1935-E1937 WeakPolarHBondContact OG-CB 3.39Å; S1935-E1937 VanDerWaalsContact OG-CD 3.29Å; S1935-E1937 VanDerWaalsContact OG-CG 3.24Å; S1935-E1937 WeakPolarHBondContact OG-CG 3.33Å; S1935-E1937 PolarHBondContact OG-N 3.25Å; S1935-E1937 PolarHBondContact OG-OE2 3.12Å |
| 1936 | G | 40.7 | Very low | 44.4 | Very low | 38.8 Ų | 38.8 | 65.8 Ų | 65.8 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | trans | 72.1 | 23.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1553 S1932 T1938 | R1553-G1936 VanDerWaalsContact CA-O 3.3Å; R1553-G1936 WeakPolarHBondContact CA-O 3.3Å; S1932-G1936 PolarHBondContact O-N 3.12Å; G1936-T1938 PolarHBondContact O-N 3.49Å | ||
| 1937 | E | 41.6 | Very low | 45.3 | Very low | 129.4 Ų | 129.4 | 63 Ų | 63 | 61% | 0.605 | 34% | 0.337 | S | S | * | . | trans | -84.8 | 102.6 | 174.9 | -79.5 | 170.1 | 158 | 0 | 0 | 112.3 | M1549 S1932 S1935 Q1939 G1940 S1941 | M1549-E1937 VanDerWaalsContact CE-O 3.23Å; M1549-E1937 WeakPolarHBondContact CE-O 3.46Å; S1932-E1937 PolarHBondContact O-N 2.91Å; S1935-E1937 VanDerWaalsContact C-N 3.32Å; S1935-E1937 VanDerWaalsContact CB-OE2 3.25Å; S1935-E1937 WeakPolarHBondContact CB-OE2 3.37Å; S1935-E1937 PolarHBondContact O-N 3.49Å; S1935-E1937 WeakPolarHBondContact OG-CB 3.39Å; S1935-E1937 VanDerWaalsContact OG-CD 3.29Å; S1935-E1937 VanDerWaalsContact OG-CG 3.24Å; S1935-E1937 WeakPolarHBondContact OG-CG 3.33Å; S1935-E1937 PolarHBondContact OG-N 3.25Å; S1935-E1937 PolarHBondContact OG-OE2 3.12Å; E1937-Q1939 VanDerWaalsContact C-N 3.26Å; E1937-Q1939 PolarHBondContact O-N 2.92Å; E1937-G1940 WeakPolarHBondContact O-CA 3.33Å; E1937-G1940 PolarHBondContact O-N 3.36Å; E1937-S1941 PolarHBondContact O-N 2.91Å; E1937-S1941 PolarHBondContact O-OG 3.06Å | ||
| 1938 | T | 45.5 | Very low | 45.8 | Very low | 80.4 Ų | 80.4 | 60.7 Ų | 60.7 | 49% | 0.493 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -67.3 | 88.7 | -177.2 | 55.3 | 0 | 0 | 0 | 0 | 114 | S1932 G1936 G1940 S1941 V1942 | S1932-T1938 PolarHBondContact O-N 2.94Å; S1932-T1938 PolarHBondContact O-OG1 3.46Å; G1936-T1938 PolarHBondContact O-N 3.49Å; T1938-G1940 PolarHBondContact O-N 3.19Å; T1938-G1940 VanDerWaalsContact O-N 3.09Å; T1938-S1941 WeakPolarHBondContact O-CB 3.28Å; T1938-S1941 PolarHBondContact O-N 2.99Å; T1938-S1941 PolarHBondContact O-OG 3.12Å; T1938-S1941 PolarHBondContact OG1-N 3.39Å; T1938-S1941 PolarHBondContact OG1-OG 2.96Å; T1938-V1942 WeakPolarHBondContact O-CG2 3.16Å; T1938-V1942 PolarHBondContact O-N 3.34Å |
| 1939 | Q | 46.5 | Very low | 46.4 | Very low | 112.8 Ų | 112.8 | 58.2 Ų | 58.2 | 53% | 0.527 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.5 | -28.6 | 174 | -68.1 | 178.9 | -24 | 0 | 0 | 112 | I1552 T1745 Y1747 S1932 E1937 S1941 V1942 I1943 | I1552-Q1939 HydrophobicContact CD1-CG 3.7Å; T1745-Q1939 VanDerWaalsContact O-CD 3.26Å; T1745-Q1939 WeakPolarHBondContact O-CG 3.34Å; T1745-Q1939 PolarHBondContact O-NE2 3.24Å; Y1747-Q1939 PolarHBondContact OH-OE1 2.95Å; Y1747-Q1939 VanDerWaalsContact OH-OE1 3.04Å; S1932-Q1939 PolarHBondContact OG-OE1 3.16Å; E1937-Q1939 VanDerWaalsContact C-N 3.26Å; E1937-Q1939 PolarHBondContact O-N 2.92Å; Q1939-S1941 VanDerWaalsContact C-N 3.3Å; Q1939-S1941 PolarHBondContact O-N 3.25Å; Q1939-V1942 WeakPolarHBondContact O-CB 3.19Å; Q1939-V1942 PolarHBondContact O-N 3.18Å; Q1939-V1942 VanDerWaalsContact O-N 3.17Å; Q1939-I1943 WeakPolarHBondContact O-CG1 3.26Å; Q1939-I1943 PolarHBondContact O-N 3.22Å; Q1939-I1943 VanDerWaalsContact O-N 3.12Å |
| 1940 | G | 45.7 | Very low | 47.2 | Very low | 14.8 Ų | 14.8 | 58.9 Ų | 58.9 | 15% | 0.153 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -33 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1937 T1938 V1942 I1943 I1944 | E1937-G1940 WeakPolarHBondContact O-CA 3.33Å; E1937-G1940 PolarHBondContact O-N 3.36Å; T1938-G1940 PolarHBondContact O-N 3.19Å; T1938-G1940 VanDerWaalsContact O-N 3.09Å; G1940-V1942 VanDerWaalsContact C-N 3.29Å; G1940-V1942 PolarHBondContact O-N 2.91Å; G1940-I1943 PolarHBondContact O-N 3.14Å; G1940-I1943 VanDerWaalsContact O-N 3.08Å; G1940-I1944 WeakPolarHBondContact O-CB 3.23Å; G1940-I1944 WeakPolarHBondContact O-CD1 3.4Å; G1940-I1944 VanDerWaalsContact O-CG1 3.26Å; G1940-I1944 WeakPolarHBondContact O-CG1 3.36Å; G1940-I1944 PolarHBondContact O-N 3.16Å; G1940-I1944 VanDerWaalsContact O-N 3.11Å |
| 1941 | S | 46.4 | Very low | 47.8 | Very low | 49.6 Ų | 49.6 | 57.8 Ų | 57.8 | 35% | 0.347 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 175.3 | 16.8 | 0 | 0 | 0 | 0 | 112.6 | E1937 T1938 Q1939 I1943 I1944 E1945 | E1937-S1941 PolarHBondContact O-N 2.91Å; E1937-S1941 PolarHBondContact O-OG 3.06Å; T1938-S1941 WeakPolarHBondContact O-CB 3.28Å; T1938-S1941 PolarHBondContact O-N 2.99Å; T1938-S1941 PolarHBondContact O-OG 3.12Å; T1938-S1941 PolarHBondContact OG1-N 3.39Å; T1938-S1941 PolarHBondContact OG1-OG 2.96Å; Q1939-S1941 VanDerWaalsContact C-N 3.3Å; Q1939-S1941 PolarHBondContact O-N 3.25Å; S1941-I1943 VanDerWaalsContact C-N 3.3Å; S1941-I1943 PolarHBondContact O-N 3.08Å; S1941-I1944 PolarHBondContact O-N 2.99Å; S1941-E1945 VanDerWaalsContact O-CB 3.31Å; S1941-E1945 WeakPolarHBondContact O-CB 3.33Å; S1941-E1945 PolarHBondContact O-N 2.96Å |
| 1942 | V | 48.1 | Very low | 48.2 | Very low | 43.8 Ų | 43.8 | 58.8 Ų | 58.8 | 27% | 0.265 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | I1552 F1555 Q1559 T1745 F1933 T1938 Q1939 G1940 E1945 A1946 | I1552-V1942 HydrophobicContact CG2-CG2 3.75Å; I1552-V1942 VanDerWaalsContact O-CG2 3.25Å; I1552-V1942 WeakPolarHBondContact O-CG2 3.26Å; F1555-V1942 HydrophobicContact CB-CG1 3.88Å; F1555-V1942 HydrophobicContact CB-CG2 4.08Å; Q1559-V1942 PolarHBondContact OE1-O 2.8Å; Q1559-V1942 VanDerWaalsContact OE1-O 3.08Å; T1745-V1942 HydrophobicContact CG2-CB 4.28Å; T1745-V1942 HydrophobicContact CG2-CG1 3.89Å; T1745-V1942 HydrophobicContact CG2-CG2 4.34Å; F1933-V1942 HydrophobicContact CB-CG1 4.17Å; F1933-V1942 HydrophobicContact CD1-CG1 3.47Å; F1933-V1942 VanDerWaalsContact CD1-CG1 3.47Å; F1933-V1942 HydrophobicContact CD2-CG1 3.81Å; F1933-V1942 HydrophobicContact CE1-CG1 3.71Å; F1933-V1942 HydrophobicContact CE2-CG1 4.05Å; F1933-V1942 HydrophobicContact CG-CG1 3.52Å; F1933-V1942 HydrophobicContact CZ-CG1 4Å; T1938-V1942 WeakPolarHBondContact O-CG2 3.16Å; T1938-V1942 PolarHBondContact O-N 3.34Å; Q1939-V1942 WeakPolarHBondContact O-CB 3.19Å; Q1939-V1942 PolarHBondContact O-N 3.18Å; Q1939-V1942 VanDerWaalsContact O-N 3.17Å; G1940-V1942 VanDerWaalsContact C-N 3.29Å; G1940-V1942 PolarHBondContact O-N 2.91Å; V1942-E1945 PolarHBondContact O-N 3.37Å; V1942-A1946 VanDerWaalsContact O-CB 3.29Å; V1942-A1946 WeakPolarHBondContact O-CB 3.28Å; V1942-A1946 PolarHBondContact O-N 3.26Å |
| 1943 | I | 51.4 | Low | 48.8 | Very low | 29.8 Ų | 29.8 | 59.6 Ų | 59.6 | 15% | 0.153 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 176.9 | -58.5 | 169.8 | 0 | 0 | 0 | 110.7 | G1742 R1746 C1929 F1933 Q1939 G1940 S1941 E1945 A1946 L1947 L2037 I2045 | G1742-I1943 WeakPolarHBondContact O-CG1 3.43Å; R1746-I1943 HydrophobicContact CB-CD1 4.05Å; R1746-I1943 HydrophobicContact CG-CD1 4.35Å; C1929-I1943 HydrophobicContact CB-CD1 4.15Å; F1933-I1943 HydrophobicContact CD1-CD1 3.95Å; F1933-I1943 HydrophobicContact CD1-CG1 3.84Å; F1933-I1943 HydrophobicContact CD2-CD1 4.17Å; F1933-I1943 HydrophobicContact CE1-CB 4.16Å; F1933-I1943 HydrophobicContact CE1-CG1 3.97Å; F1933-I1943 HydrophobicContact CE1-CG2 3.75Å; F1933-I1943 HydrophobicContact CE2-CD1 4.01Å; F1933-I1943 HydrophobicContact CE2-CG2 4.15Å; F1933-I1943 HydrophobicContact CZ-CB 4.12Å; F1933-I1943 HydrophobicContact CZ-CD1 4.24Å; F1933-I1943 HydrophobicContact CZ-CG2 3.32Å; Q1939-I1943 WeakPolarHBondContact O-CG1 3.26Å; Q1939-I1943 PolarHBondContact O-N 3.22Å; Q1939-I1943 VanDerWaalsContact O-N 3.12Å; G1940-I1943 PolarHBondContact O-N 3.14Å; G1940-I1943 VanDerWaalsContact O-N 3.08Å; S1941-I1943 VanDerWaalsContact C-N 3.3Å; S1941-I1943 PolarHBondContact O-N 3.08Å; I1943-E1945 VanDerWaalsContact C-N 3.31Å; I1943-E1945 PolarHBondContact O-N 3.46Å; I1943-A1946 CarbonylContact O-C 3.56Å; I1943-A1946 WeakPolarHBondContact O-CB 3.38Å; I1943-A1946 PolarHBondContact O-N 2.96Å; I1943-L1947 HydrophobicContact CG2-CD1 4.19Å; I1943-L1947 HydrophobicContact CG2-CG 4.35Å; I1943-L1947 WeakPolarHBondContact O-CB 3.4Å; I1943-L1947 WeakPolarHBondContact O-CD1 3.42Å; I1943-L1947 VanDerWaalsContact O-CG 3.26Å; I1943-L1947 WeakPolarHBondContact O-CG 3.37Å; I1943-L1947 PolarHBondContact O-N 3.21Å; I1943-L1947 VanDerWaalsContact O-N 3.1Å; I1943-L2037 HydrophobicContact CD1-CD2 4.45Å; I1943-L2037 HydrophobicContact CG2-CD2 3.81Å; I1943-L2037 VanDerWaalsContact CG2-CD2 3.48Å; I1943-I2045 HydrophobicContact CD1-CD1 3.93Å; I1943-I2045 VanDerWaalsContact CD1-CD1 3.48Å; I1943-I2045 HydrophobicContact CD1-CG1 4.11Å; I1943-I2045 HydrophobicContact CG2-CG2 4.37Å |
| 1944 | I | 53.3 | Low | 49.3 | Very low | 34.2 Ų | 34.2 | 59.2 Ų | 59.2 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.4 | -67 | 162.3 | 0 | 0 | 0 | 110.9 | V1694 F1933 G1940 S1941 A1946 L1947 N1948 I2044 I2045 F2052 | V1694-I1944 HydrophobicContact CG1-CD1 4.24Å; V1694-I1944 HydrophobicContact CG1-CG2 4.17Å; F1933-I1944 HydrophobicContact CD1-CD1 4.4Å; F1933-I1944 HydrophobicContact CD1-CG1 4.09Å; F1933-I1944 HydrophobicContact CE1-CD1 3.71Å; F1933-I1944 HydrophobicContact CE1-CG1 4.04Å; F1933-I1944 HydrophobicContact CZ-CD1 4.28Å; G1940-I1944 WeakPolarHBondContact O-CB 3.23Å; G1940-I1944 WeakPolarHBondContact O-CD1 3.4Å; G1940-I1944 VanDerWaalsContact O-CG1 3.26Å; G1940-I1944 WeakPolarHBondContact O-CG1 3.36Å; G1940-I1944 PolarHBondContact O-N 3.16Å; G1940-I1944 VanDerWaalsContact O-N 3.11Å; S1941-I1944 PolarHBondContact O-N 2.99Å; I1944-A1946 VanDerWaalsContact C-N 3.32Å; I1944-A1946 PolarHBondContact O-N 3.34Å; I1944-L1947 PolarHBondContact O-N 3.01Å; I1944-N1948 WeakPolarHBondContact CG2-ND2 3.49Å; I1944-N1948 WeakPolarHBondContact O-CB 3.19Å; I1944-N1948 VanDerWaalsContact O-CG 3.23Å; I1944-N1948 PolarHBondContact O-N 3.12Å; I1944-N1948 PolarHBondContact O-ND2 3.17Å; I1944-N1948 VanDerWaalsContact O-ND2 3.15Å; I1944-I2044 HydrophobicContact CD1-CG2 4.06Å; I1944-I2045 HydrophobicContact CD1-CD1 4.24Å; I1944-I2045 HydrophobicContact CD1-CG1 3.63Å; I1944-I2045 HydrophobicContact CG1-CD1 4.29Å; I1944-I2045 HydrophobicContact CG1-CG1 3.75Å; I1944-F2052 HydrophobicContact CG2-CE2 4.3Å |
| 1945 | E | 50.4 | Low | 49.7 | Very low | 86.6 Ų | 86.6 | 55.2 Ų | 55.2 | 41% | 0.405 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68 | -37 | 177.7 | -158.5 | 124.2 | -144.6 | 0 | 0 | 111.6 | Q1559 Q1560 R1746 S1941 V1942 I1943 N1948 C1949 | Q1559-E1945 HydrophobicContact CB-CB 3.94Å; Q1559-E1945 HydrophobicContact CB-CG 3.46Å; Q1559-E1945 VanDerWaalsContact CB-CG 3.46Å; Q1560-E1945 HydrophobicContact CG-CG 3.85Å; Q1560-E1945 WeakPolarHBondContact CG-OE2 3.31Å; R1746-E1945 IonicContact CZ-OE1 2.72Å; R1746-E1945 IonicContact CZ-OE2 3.13Å; R1746-E1945 IonicContact NH1-OE1 2.96Å; R1746-E1945 PolarHBondContact NH1-OE1 3.19Å; R1746-E1945 VanDerWaalsContact NH1-OE1 3.14Å; R1746-E1945 IonicContact NH1-OE2 2.79Å; R1746-E1945 PolarHBondContact NH1-OE2 2.91Å; R1746-E1945 IonicContact NH2-OE1 3.13Å; R1746-E1945 PolarHBondContact NH2-OE1 3.27Å; R1746-E1945 IonicContact NH2-OE2 3.8Å; S1941-E1945 VanDerWaalsContact O-CB 3.31Å; S1941-E1945 WeakPolarHBondContact O-CB 3.33Å; S1941-E1945 PolarHBondContact O-N 2.96Å; V1942-E1945 PolarHBondContact O-N 3.37Å; I1943-E1945 VanDerWaalsContact C-N 3.31Å; I1943-E1945 PolarHBondContact O-N 3.46Å; E1945-N1948 WeakPolarHBondContact O-CB 3.37Å; E1945-N1948 PolarHBondContact O-N 3.13Å; E1945-N1948 PolarHBondContact OE1-ND2 2.67Å; E1945-N1948 PolarHBondContact OE2-ND2 2.98Å; E1945-C1949 WeakPolarHBondContact O-CB 3.44Å; E1945-C1949 PolarHBondContact O-N 3.41Å; E1945-C1949 PolarHBondContact O-SG 3.21Å; E1945-C1949 VanDerWaalsContact O-SG 3.35Å |
| 1946 | A | 52.3 | Low | 49.6 | Very low | 30 Ų | 30 | 55.4 Ų | 55.4 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | F1700 F1933 V1942 I1943 I1944 N1948 C1949 I1950 L1978 | F1700-A1946 HydrophobicContact CE2-CB 4.17Å; F1933-A1946 HydrophobicContact CE2-CB 4.13Å; F1933-A1946 HydrophobicContact CZ-CB 3.96Å; V1942-A1946 VanDerWaalsContact O-CB 3.29Å; V1942-A1946 WeakPolarHBondContact O-CB 3.28Å; V1942-A1946 PolarHBondContact O-N 3.26Å; I1943-A1946 CarbonylContact O-C 3.56Å; I1943-A1946 WeakPolarHBondContact O-CB 3.38Å; I1943-A1946 PolarHBondContact O-N 2.96Å; I1944-A1946 VanDerWaalsContact C-N 3.32Å; I1944-A1946 PolarHBondContact O-N 3.34Å; A1946-N1948 VanDerWaalsContact C-N 3.33Å; A1946-N1948 PolarHBondContact O-N 2.85Å; A1946-C1949 WeakPolarHBondContact O-CA 3.32Å; A1946-C1949 VanDerWaalsContact O-CB 3.27Å; A1946-C1949 WeakPolarHBondContact O-CB 3.27Å; A1946-C1949 PolarHBondContact O-N 3.2Å; A1946-C1949 VanDerWaalsContact O-N 3.12Å; A1946-I1950 WeakPolarHBondContact O-CB 3.08Å; A1946-I1950 WeakPolarHBondContact O-CD1 3.41Å; A1946-I1950 VanDerWaalsContact O-CG1 3.23Å; A1946-I1950 WeakPolarHBondContact O-CG1 3.35Å; A1946-I1950 PolarHBondContact O-N 2.81Å; A1946-L1978 HydrophobicContact CB-CD2 3.56Å |
| 1947 | L | 56 | Low | 50 | Low | 20.8 Ų | 20.8 | 56.5 Ų | 56.5 | 11% | 0.109 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 176.1 | -72.5 | 168.2 | 0 | 0 | 0 | 111.9 | F1739 F1933 I1943 I1944 C1949 I1950 T1951 W1952 L2037 F2052 | F1739-L1947 HydrophobicContact CE2-CD2 4.4Å; F1933-L1947 HydrophobicContact CE1-CD1 3.91Å; F1933-L1947 HydrophobicContact CZ-CD1 4.09Å; I1943-L1947 HydrophobicContact CG2-CD1 4.19Å; I1943-L1947 HydrophobicContact CG2-CG 4.35Å; I1943-L1947 WeakPolarHBondContact O-CB 3.4Å; I1943-L1947 WeakPolarHBondContact O-CD1 3.42Å; I1943-L1947 VanDerWaalsContact O-CG 3.26Å; I1943-L1947 WeakPolarHBondContact O-CG 3.37Å; I1943-L1947 PolarHBondContact O-N 3.21Å; I1943-L1947 VanDerWaalsContact O-N 3.1Å; I1944-L1947 PolarHBondContact O-N 3.01Å; L1947-C1949 VanDerWaalsContact C-N 3.28Å; L1947-C1949 PolarHBondContact O-N 3.33Å; L1947-C1949 VanDerWaalsContact O-N 3.13Å; L1947-I1950 HydrophobicContact CD2-CD1 3.93Å; L1947-I1950 HydrophobicContact CD2-CG1 4.37Å; L1947-I1950 WeakPolarHBondContact O-CB 3.25Å; L1947-I1950 WeakPolarHBondContact O-CG1 3.3Å; L1947-I1950 PolarHBondContact O-N 3.21Å; L1947-T1951 PolarHBondContact O-N 2.99Å; L1947-T1951 VanDerWaalsContact O-N 3.11Å; L1947-T1951 PolarHBondContact O-OG1 3.19Å; L1947-T1951 VanDerWaalsContact O-OG1 3.05Å; L1947-W1952 HydrophobicContact CD2-CD2 3.57Å; L1947-W1952 HydrophobicContact CD2-CE3 3.26Å; L1947-W1952 HydrophobicContact CD2-CG 4.3Å; L1947-W1952 HydrophobicContact CD2-CH2 3.8Å; L1947-W1952 HydrophobicContact CD2-CZ2 4.07Å; L1947-W1952 HydrophobicContact CD2-CZ3 3.39Å; L1947-L2037 HydrophobicContact CD1-CD1 3.87Å; L1947-L2037 HydrophobicContact CD1-CD2 3.49Å; L1947-L2037 VanDerWaalsContact CD1-CD2 3.49Å; L1947-L2037 HydrophobicContact CD1-CG 4.35Å; L1947-L2037 HydrophobicContact CD2-CD1 4.05Å; L1947-L2037 HydrophobicContact CG-CD1 4.39Å; L1947-F2052 HydrophobicContact CB-CB 4.13Å; L1947-F2052 HydrophobicContact CB-CD1 4.34Å; L1947-F2052 HydrophobicContact CB-CD2 3.78Å; L1947-F2052 HydrophobicContact CB-CE2 4.19Å; L1947-F2052 HydrophobicContact CB-CG 4Å; L1947-F2052 HydrophobicContact CD1-CD2 4.18Å; L1947-F2052 HydrophobicContact CD2-CB 4.45Å; L1947-F2052 HydrophobicContact CD2-CD1 3.86Å; L1947-F2052 HydrophobicContact CD2-CD2 4.01Å; L1947-F2052 HydrophobicContact CD2-CE1 4.11Å; L1947-F2052 HydrophobicContact CD2-CE2 4.28Å; L1947-F2052 HydrophobicContact CD2-CG 4.13Å; L1947-F2052 HydrophobicContact CD2-CZ 4.34Å; L1947-F2052 HydrophobicContact CG-CD2 4.36Å; L1947-F2052 HydrophobicContact CG-CG 4.48Å; L1947-F2052 VanDerWaalsContact O-CD2 3.24Å; L1947-F2052 WeakPolarHBondContact O-CD2 3.42Å; L1947-F2052 WeakPolarHBondContact O-CE2 3.31Å; L1947-F2052 VanDerWaalsContact O-CZ 3.25Å; L1947-F2052 WeakPolarHBondContact O-CZ 3.4Å |
| 1948 | N | 52.7 | Low | 50.3 | Low | 62.6 Ų | 62.6 | 53.9 Ų | 53.9 | 34% | 0.335 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -33.3 | 172.3 | -88.4 | -26.7 | 0 | 0 | 0 | 112.3 | I1944 E1945 A1946 I1950 T1951 W1952 F2052 | I1944-N1948 WeakPolarHBondContact CG2-ND2 3.49Å; I1944-N1948 WeakPolarHBondContact O-CB 3.19Å; I1944-N1948 VanDerWaalsContact O-CG 3.23Å; I1944-N1948 PolarHBondContact O-N 3.12Å; I1944-N1948 PolarHBondContact O-ND2 3.17Å; I1944-N1948 VanDerWaalsContact O-ND2 3.15Å; E1945-N1948 WeakPolarHBondContact O-CB 3.37Å; E1945-N1948 PolarHBondContact O-N 3.13Å; E1945-N1948 PolarHBondContact OE1-ND2 2.67Å; E1945-N1948 PolarHBondContact OE2-ND2 2.98Å; A1946-N1948 VanDerWaalsContact C-N 3.33Å; A1946-N1948 PolarHBondContact O-N 2.85Å; N1948-I1950 VanDerWaalsContact C-N 3.33Å; N1948-I1950 PolarHBondContact O-N 3.15Å; N1948-T1951 WeakPolarHBondContact O-CB 3.46Å; N1948-T1951 PolarHBondContact O-N 3.37Å; N1948-T1951 PolarHBondContact O-OG1 3Å; N1948-W1952 VanDerWaalsContact O-CD1 3.27Å; N1948-W1952 PolarHBondContact O-N 3.24Å; N1948-W1952 VanDerWaalsContact O-N 3.14Å; N1948-W1952 PolarHBondContact OD1-NE1 3.48Å; N1948-F2052 VanDerWaalsContact CA-CE1 3.48Å; N1948-F2052 HydrophobicContact CB-CE1 3.83Å; N1948-F2052 HydrophobicContact CB-CE2 4.44Å; N1948-F2052 HydrophobicContact CB-CZ 3.66Å |
| 1949 | C | 51.3 | Low | 50.3 | Low | 44.8 Ų | 44.8 | 57.1 Ų | 57.1 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.6 | -9.9 | 176.3 | -69.8 | 0 | 0 | 0 | 0 | 113.4 | Q1559 I1562 F1700 L1738 F1925 E1945 A1946 L1947 T1951 W1952 Y1953 | Q1559-C1949 PolarHBondContact O-SG 2.93Å; I1562-C1949 HydrophobicContact CG2-CB 4.14Å; F1700-C1949 WeakPolarHBondContact CE1-SG 3.08Å; F1700-C1949 HydrophobicContact CZ-CB 4.01Å; F1700-C1949 WeakPolarHBondContact CZ-SG 3.48Å; L1738-C1949 HydrophobicContact CD1-CB 4.36Å; L1738-C1949 HydrophobicContact CD2-CB 4.2Å; F1925-C1949 HydrophobicContact CZ-CB 4.39Å; E1945-C1949 WeakPolarHBondContact O-CB 3.44Å; E1945-C1949 PolarHBondContact O-N 3.41Å; E1945-C1949 PolarHBondContact O-SG 3.21Å; E1945-C1949 VanDerWaalsContact O-SG 3.35Å; A1946-C1949 WeakPolarHBondContact O-CA 3.32Å; A1946-C1949 VanDerWaalsContact O-CB 3.27Å; A1946-C1949 WeakPolarHBondContact O-CB 3.27Å; A1946-C1949 PolarHBondContact O-N 3.2Å; A1946-C1949 VanDerWaalsContact O-N 3.12Å; L1947-C1949 VanDerWaalsContact C-N 3.28Å; L1947-C1949 PolarHBondContact O-N 3.33Å; L1947-C1949 VanDerWaalsContact O-N 3.13Å; C1949-T1951 VanDerWaalsContact C-N 3.33Å; C1949-T1951 PolarHBondContact O-N 3.26Å; C1949-W1952 HydrophobicContact CB-CB 4.12Å; C1949-W1952 HydrophobicContact CB-CG 4.25Å; C1949-W1952 CarbonylContact O-C 3.54Å; C1949-W1952 WeakPolarHBondContact O-CA 3.43Å; C1949-W1952 VanDerWaalsContact O-CB 3.27Å; C1949-W1952 WeakPolarHBondContact O-CB 3.35Å; C1949-W1952 PolarHBondContact O-N 3.17Å; C1949-Y1953 VanDerWaalsContact O-CB 3.29Å; C1949-Y1953 WeakPolarHBondContact O-CB 3.37Å; C1949-Y1953 PolarHBondContact O-N 3.13Å |
| 1950 | I | 54.8 | Low | 50.4 | Low | 43.8 Ų | 43.8 | 55.3 Ų | 55.3 | 23% | 0.225 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.6 | -26.1 | 171.6 | -61.5 | 166.8 | 0 | 0 | 0 | 111.7 | F1735 L1738 F1739 A1946 L1947 N1948 W1952 Y1953 H1954 F2052 | F1735-I1950 HydrophobicContact CD2-CG2 4.15Å; F1735-I1950 HydrophobicContact CE1-CG2 4.3Å; F1735-I1950 HydrophobicContact CE2-CG2 3.42Å; F1735-I1950 VanDerWaalsContact CE2-CG2 3.42Å; F1735-I1950 HydrophobicContact CZ-CG2 3.47Å; F1735-I1950 VanDerWaalsContact CZ-CG2 3.47Å; L1738-I1950 HydrophobicContact CB-CD1 4.32Å; L1738-I1950 HydrophobicContact CB-CG1 3.86Å; L1738-I1950 HydrophobicContact CD1-CG1 4.38Å; F1739-I1950 HydrophobicContact CB-CD1 3.89Å; F1739-I1950 HydrophobicContact CD2-CD1 3.75Å; F1739-I1950 HydrophobicContact CG-CD1 4.15Å; A1946-I1950 WeakPolarHBondContact O-CB 3.08Å; A1946-I1950 WeakPolarHBondContact O-CD1 3.41Å; A1946-I1950 VanDerWaalsContact O-CG1 3.23Å; A1946-I1950 WeakPolarHBondContact O-CG1 3.35Å; A1946-I1950 PolarHBondContact O-N 2.81Å; L1947-I1950 HydrophobicContact CD2-CD1 3.93Å; L1947-I1950 HydrophobicContact CD2-CG1 4.37Å; L1947-I1950 WeakPolarHBondContact O-CB 3.25Å; L1947-I1950 WeakPolarHBondContact O-CG1 3.3Å; L1947-I1950 PolarHBondContact O-N 3.21Å; N1948-I1950 VanDerWaalsContact C-N 3.33Å; N1948-I1950 PolarHBondContact O-N 3.15Å; I1950-W1952 VanDerWaalsContact C-N 3.32Å; I1950-W1952 PolarHBondContact O-N 3.02Å; I1950-Y1953 VanDerWaalsContact O-CB 3.24Å; I1950-Y1953 WeakPolarHBondContact O-CB 3.5Å; I1950-Y1953 PolarHBondContact O-N 3.1Å; I1950-H1954 WeakPolarHBondContact O-CB 3.4Å; I1950-H1954 PolarHBondContact O-N 3.35Å; I1950-H1954 VanDerWaalsContact O-N 3.09Å; I1950-F2052 VanDerWaalsContact C-CZ 3.44Å; I1950-F2052 HydrophobicContact CB-CD1 4.27Å; I1950-F2052 HydrophobicContact CB-CE1 3.5Å; I1950-F2052 HydrophobicContact CB-CE2 4.05Å; I1950-F2052 HydrophobicContact CB-CZ 3.95Å; I1950-F2052 VanDerWaalsContact CB-CZ 3.42Å; I1950-F2052 HydrophobicContact CD1-CD1 4.43Å; I1950-F2052 HydrophobicContact CD1-CE1 4.26Å; I1950-F2052 HydrophobicContact CG1-CE1 4.5Å; I1950-F2052 HydrophobicContact CG2-CD1 4.44Å; I1950-F2052 HydrophobicContact CG2-CE1 3.35Å; I1950-F2052 HydrophobicContact CG2-CE2 4.14Å; I1950-F2052 HydrophobicContact CG2-CZ 3.87Å |
| 1951 | T | 52.7 | Low | 51 | Low | 38.6 Ų | 38.6 | 58.7 Ų | 58.7 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -45.1 | -30.5 | 170.2 | -12.2 | 0 | 0 | 0 | 0 | 112.5 | L1679 L1947 N1948 C1949 Y1953 H1954 C1955 F2052 T2055 L2056 | L1679-T1951 HydrophobicContact CD1-CG2 4.39Å; L1947-T1951 PolarHBondContact O-N 2.99Å; L1947-T1951 VanDerWaalsContact O-N 3.11Å; L1947-T1951 PolarHBondContact O-OG1 3.19Å; L1947-T1951 VanDerWaalsContact O-OG1 3.05Å; N1948-T1951 WeakPolarHBondContact O-CB 3.46Å; N1948-T1951 PolarHBondContact O-N 3.37Å; N1948-T1951 PolarHBondContact O-OG1 3Å; C1949-T1951 VanDerWaalsContact C-N 3.33Å; C1949-T1951 PolarHBondContact O-N 3.26Å; T1951-Y1953 VanDerWaalsContact C-N 3.3Å; T1951-Y1953 PolarHBondContact O-N 3.27Å; T1951-Y1953 VanDerWaalsContact O-N 3.12Å; T1951-H1954 PolarHBondContact O-N 3.08Å; T1951-C1955 WeakPolarHBondContact O-CB 3.43Å; T1951-C1955 PolarHBondContact O-N 2.96Å; T1951-C1955 VanDerWaalsContact O-N 3.07Å; T1951-C1955 PolarHBondContact O-SG 2.87Å; T1951-F2052 HydrophobicContact CG2-CD1 4.46Å; T1951-F2052 HydrophobicContact CG2-CE2 3.96Å; T1951-F2052 HydrophobicContact CG2-CZ 4.16Å; T1951-F2052 WeakPolarHBondContact OG1-CD1 3.32Å; T1951-F2052 WeakPolarHBondContact OG1-CD2 3.35Å; T1951-F2052 WeakPolarHBondContact OG1-CE2 3.26Å; T1951-T2055 HydrophobicContact CG2-CG2 3.65Å; T1951-T2055 VanDerWaalsContact CG2-CG2 3.42Å; T1951-L2056 HydrophobicContact CG2-CB 4.36Å; T1951-L2056 HydrophobicContact CG2-CD1 3.76Å |
| 1952 | W | 52.1 | Low | 51.8 | Low | 100.2 Ų | 100.2 | 56.7 Ų | 56.7 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 179.2 | -88.1 | 86.5 | 0 | 0 | 0 | 112.7 | I1567 A1570 L1679 L1680 T1683 H1704 W1726 L1947 N1948 C1949 I1950 H1954 C1955 L1956 | I1567-W1952 HydrophobicContact CD1-CZ2 4.43Å; I1567-W1952 HydrophobicContact CG1-CD2 3.89Å; I1567-W1952 VanDerWaalsContact CG1-CE2 3.49Å; I1567-W1952 HydrophobicContact CG1-CE3 4.37Å; I1567-W1952 HydrophobicContact CG1-CG 4.4Å; I1567-W1952 HydrophobicContact CG1-CH2 4.23Å; I1567-W1952 HydrophobicContact CG1-CZ2 3.7Å; A1570-W1952 HydrophobicContact CB-CE3 4.24Å; A1570-W1952 HydrophobicContact CB-CZ3 3.76Å; L1679-W1952 HydrophobicContact CB-CH2 4.42Å; L1679-W1952 HydrophobicContact CD2-CD2 3.91Å; L1679-W1952 HydrophobicContact CD2-CE3 3.64Å; L1679-W1952 HydrophobicContact CD2-CH2 3.86Å; L1679-W1952 HydrophobicContact CD2-CZ2 4.12Å; L1679-W1952 HydrophobicContact CD2-CZ3 3.62Å; L1679-W1952 HydrophobicContact CG-CE3 4.38Å; L1679-W1952 HydrophobicContact CG-CH2 3.66Å; L1679-W1952 HydrophobicContact CG-CZ2 3.93Å; L1679-W1952 HydrophobicContact CG-CZ3 3.91Å; L1680-W1952 HydrophobicContact CD2-CH2 3.73Å; L1680-W1952 HydrophobicContact CD2-CZ3 4.22Å; L1680-W1952 HydrophobicContact CG-CH2 4.03Å; L1680-W1952 HydrophobicContact CG-CZ3 4.33Å; T1683-W1952 HydrophobicContact CG2-CZ2 4.48Å; H1704-W1952 AromaticContact CD2-CH2 3.64Å; H1704-W1952 AromaticContact CD2-CZ3 3.87Å; H1704-W1952 AromaticContact NE2-CH2 3.1Å; H1704-W1952 WeakPolarHBondContact NE2-CH2 3.3Å; H1704-W1952 AromaticContact NE2-CZ2 3.82Å; H1704-W1952 AromaticContact NE2-CZ3 3.62Å; W1726-W1952 AromaticContact CH2-CE3 3.9Å; W1726-W1952 HydrophobicContact CH2-CE3 3.9Å; W1726-W1952 HydrophobicContact CH2-CH2 4.31Å; W1726-W1952 AromaticContact CH2-CZ3 3.42Å; W1726-W1952 HydrophobicContact CH2-CZ3 3.9Å; W1726-W1952 VanDerWaalsContact CH2-CZ3 3.42Å; W1726-W1952 HydrophobicContact CZ2-CE3 4.36Å; W1726-W1952 AromaticContact CZ2-CH2 3.94Å; W1726-W1952 HydrophobicContact CZ2-CH2 3.94Å; W1726-W1952 AromaticContact CZ2-CZ3 3.48Å; W1726-W1952 HydrophobicContact CZ2-CZ3 3.48Å; W1726-W1952 VanDerWaalsContact CZ2-CZ3 3.48Å; W1726-W1952 HydrophobicContact CZ3-CH2 4.15Å; W1726-W1952 AromaticContact CZ3-CZ3 3.85Å; W1726-W1952 HydrophobicContact CZ3-CZ3 4Å; L1947-W1952 HydrophobicContact CD2-CD2 3.57Å; L1947-W1952 HydrophobicContact CD2-CE3 3.26Å; L1947-W1952 HydrophobicContact CD2-CG 4.3Å; L1947-W1952 HydrophobicContact CD2-CH2 3.8Å; L1947-W1952 HydrophobicContact CD2-CZ2 4.07Å; L1947-W1952 HydrophobicContact CD2-CZ3 3.39Å; N1948-W1952 VanDerWaalsContact O-CD1 3.27Å; N1948-W1952 PolarHBondContact O-N 3.24Å; N1948-W1952 VanDerWaalsContact O-N 3.14Å; N1948-W1952 PolarHBondContact OD1-NE1 3.48Å; C1949-W1952 HydrophobicContact CB-CB 4.12Å; C1949-W1952 HydrophobicContact CB-CG 4.25Å; C1949-W1952 CarbonylContact O-C 3.54Å; C1949-W1952 WeakPolarHBondContact O-CA 3.43Å; C1949-W1952 VanDerWaalsContact O-CB 3.27Å; C1949-W1952 WeakPolarHBondContact O-CB 3.35Å; C1949-W1952 PolarHBondContact O-N 3.17Å; I1950-W1952 VanDerWaalsContact C-N 3.32Å; I1950-W1952 PolarHBondContact O-N 3.02Å; W1952-H1954 PolarHBondContact O-N 3.14Å; W1952-C1955 CarbonylContact O-C 3.58Å; W1952-C1955 WeakPolarHBondContact O-CA 3.29Å; W1952-C1955 PolarHBondContact O-N 3.18Å; W1952-L1956 HydrophobicContact CB-CD1 4.07Å; W1952-L1956 HydrophobicContact CB-CG 4.39Å; W1952-L1956 HydrophobicContact CD2-CD1 3.52Å; W1952-L1956 HydrophobicContact CD2-CG 4.33Å; W1952-L1956 HydrophobicContact CE3-CD1 3.86Å; W1952-L1956 HydrophobicContact CG-CD1 3.98Å; W1952-L1956 HydrophobicContact CG-CG 4.33Å; W1952-L1956 HydrophobicContact CH2-CD1 4.23Å; W1952-L1956 HydrophobicContact CZ2-CD1 3.91Å; W1952-L1956 HydrophobicContact CZ3-CD1 4.19Å; W1952-L1956 VanDerWaalsContact O-CB 3.29Å; W1952-L1956 WeakPolarHBondContact O-CB 3.32Å; W1952-L1956 WeakPolarHBondContact O-CD1 3.36Å; W1952-L1956 VanDerWaalsContact O-CG 3.27Å; W1952-L1956 WeakPolarHBondContact O-CG 3.4Å; W1952-L1956 PolarHBondContact O-N 3.04Å; W1952-L1956 VanDerWaalsContact O-N 3.08Å |
| 1953 | Y | 53.2 | Low | 52.4 | Low | 41.6 Ų | 41.6 | 55.6 Ų | 55.6 | 16% | 0.163 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 176.7 | -176.6 | -98.7 | 0 | 0 | 0 | 112.3 | L1494 T1734 Y1922 C1949 I1950 T1951 C1955 L1956 H1957 N1960 E1961 F1962 F1965 M1974 | L1494-Y1953 HydrophobicContact CD1-CD2 4.31Å; L1494-Y1953 HydrophobicContact CD1-CE2 4.19Å; T1734-Y1953 WeakPolarHBondContact CB-OH 3.38Å; T1734-Y1953 HydrophobicContact CG2-CD2 4.21Å; T1734-Y1953 HydrophobicContact CG2-CE1 4.17Å; T1734-Y1953 HydrophobicContact CG2-CE2 3.71Å; Y1922-Y1953 HydrophobicContact CD2-CE2 4.32Å; Y1922-Y1953 AromaticContact CD2-CZ 3.9Å; Y1922-Y1953 WeakPolarHBondContact CD2-OH 3.36Å; Y1922-Y1953 AromaticContact CE2-CE1 3.87Å; Y1922-Y1953 HydrophobicContact CE2-CE1 3.87Å; Y1922-Y1953 HydrophobicContact CE2-CE2 4.3Å; Y1922-Y1953 AromaticContact CE2-CZ 3.58Å; Y1922-Y1953 WeakPolarHBondContact CE2-OH 3.43Å; C1949-Y1953 VanDerWaalsContact O-CB 3.29Å; C1949-Y1953 WeakPolarHBondContact O-CB 3.37Å; C1949-Y1953 PolarHBondContact O-N 3.13Å; I1950-Y1953 VanDerWaalsContact O-CB 3.24Å; I1950-Y1953 WeakPolarHBondContact O-CB 3.5Å; I1950-Y1953 PolarHBondContact O-N 3.1Å; T1951-Y1953 VanDerWaalsContact C-N 3.3Å; T1951-Y1953 PolarHBondContact O-N 3.27Å; T1951-Y1953 VanDerWaalsContact O-N 3.12Å; Y1953-C1955 VanDerWaalsContact C-N 3.31Å; Y1953-C1955 PolarHBondContact O-N 3.21Å; Y1953-L1956 PolarHBondContact O-N 3.17Å; Y1953-H1957 AromaticContact CD2-CD2 3.8Å; Y1953-H1957 HydrophobicContact CE1-CB 4.32Å; Y1953-H1957 AromaticContact CE2-CD2 3.57Å; Y1953-H1957 WeakPolarHBondContact CE2-CD2 3.17Å; Y1953-H1957 AromaticContact CZ-CD2 3.78Å; Y1953-H1957 WeakPolarHBondContact O-CB 3.12Å; Y1953-H1957 PolarHBondContact O-N 3.01Å; Y1953-H1957 VanDerWaalsContact O-N 3.1Å; Y1953-N1960 HydrophobicContact CE1-CB 4.33Å; Y1953-N1960 PolarHBondContact OH-ND2 3.29Å; Y1953-N1960 PolarHBondContact OH-O 3.3Å; Y1953-E1961 PolarHBondContact OH-O 2.89Å; Y1953-F1962 HydrophobicContact CD1-CD2 4.49Å; Y1953-F1962 HydrophobicContact CE1-CB 4.14Å; Y1953-F1962 HydrophobicContact CE1-CD2 4.03Å; Y1953-F1962 HydrophobicContact CE1-CG 4.43Å; Y1953-F1962 HydrophobicContact CE2-CD2 4.2Å; Y1953-F1962 AromaticContact CZ-CD2 3.91Å; Y1953-F1962 WeakPolarHBondContact OH-CA 3.4Å; Y1953-F1962 PolarHBondContact OH-N 2.83Å; Y1953-F1965 HydrophobicContact CD2-CG 4.49Å; Y1953-F1965 HydrophobicContact CE1-CB 4.12Å; Y1953-F1965 HydrophobicContact CE1-CD2 4.39Å; Y1953-F1965 HydrophobicContact CE2-CB 3.93Å; Y1953-F1965 HydrophobicContact CE2-CD2 4.45Å; Y1953-F1965 HydrophobicContact CE2-CG 4.2Å; Y1953-M1974 HydrophobicContact CE1-CE 4.31Å; Y1953-M1974 HydrophobicContact CE1-SD 4.15Å; Y1953-M1974 HydrophobicContact CE2-CE 4.33Å; Y1953-M1974 HydrophobicContact CE2-CG 4.21Å; Y1953-M1974 HydrophobicContact CE2-SD 4.49Å; Y1953-M1974 VanDerWaalsContact OH-CE 3.29Å; Y1953-M1974 WeakPolarHBondContact OH-CE 3.5Å; Y1953-M1974 PolarHBondContact OH-SD 3.17Å |
| 1954 | H | 53 | Low | 52.9 | Low | 41.6 Ų | 41.6 | 56.6 Ų | 56.6 | 19% | 0.193 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.5 | -28.6 | 178.5 | -122.1 | -64.5 | 0 | 0 | 0 | 113.2 | F1735 I1950 T1951 W1952 L1956 H1957 N1960 F1962 L2056 T2060 N2064 | F1735-H1954 HydrophobicContact CE2-CB 4.44Å; I1950-H1954 WeakPolarHBondContact O-CB 3.4Å; I1950-H1954 PolarHBondContact O-N 3.35Å; I1950-H1954 VanDerWaalsContact O-N 3.09Å; T1951-H1954 PolarHBondContact O-N 3.08Å; W1952-H1954 PolarHBondContact O-N 3.14Å; H1954-L1956 VanDerWaalsContact C-N 3.32Å; H1954-L1956 PolarHBondContact O-N 3.4Å; H1954-H1957 CarbonylContact O-C 3.46Å; H1954-H1957 PolarHBondContact O-N 3.1Å; H1954-N1960 PolarHBondContact CE1-O 2.95Å; H1954-N1960 PolarHBondContact ND1-O 3.14Å; H1954-F1962 AromaticContact NE2-CD2 3.79Å; H1954-L2056 HydrophobicContact CB-CD1 3.69Å; H1954-L2056 VanDerWaalsContact CG-CD1 3.45Å; H1954-L2056 WeakPolarHBondContact ND1-CD1 3.41Å; H1954-T2060 VanDerWaalsContact ND1-CG2 3.34Å; H1954-T2060 WeakPolarHBondContact ND1-CG2 3.46Å; H1954-N2064 PolarHBondContact CE1-ND2 3.05Å |
| 1955 | C | 48.7 | Very low | 53.5 | Low | 57.8 Ų | 57.8 | 56.1 Ų | 56.1 | 39% | 0.391 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -75.3 | -32.5 | 173 | -80.9 | 0 | 0 | 0 | 0 | 113 | N1672 L1679 Y1699 T1951 W1952 Y1953 | N1672-C1955 PolarHBondContact ND2-O 3.46Å; L1679-C1955 HydrophobicContact CD2-CB 3.76Å; Y1699-C1955 HydrophobicContact CD2-CB 4.33Å; Y1699-C1955 HydrophobicContact CE2-CB 4.28Å; T1951-C1955 WeakPolarHBondContact O-CB 3.43Å; T1951-C1955 PolarHBondContact O-N 2.96Å; T1951-C1955 VanDerWaalsContact O-N 3.07Å; T1951-C1955 PolarHBondContact O-SG 2.87Å; W1952-C1955 CarbonylContact O-C 3.58Å; W1952-C1955 WeakPolarHBondContact O-CA 3.29Å; W1952-C1955 PolarHBondContact O-N 3.18Å; Y1953-C1955 VanDerWaalsContact C-N 3.31Å; Y1953-C1955 PolarHBondContact O-N 3.21Å |
| 1956 | L | 45.3 | Very low | 54.3 | Low | 60.6 Ų | 60.6 | 52.5 Ų | 52.5 | 32% | 0.317 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -82.8 | -31.8 | 179.8 | -71.7 | 172.2 | 0 | 0 | 0 | 113.1 | Y1569 A1570 L1573 I1676 H1707 L1711 W1726 L1727 W1952 Y1953 H1954 P1958 L1978 | Y1569-L1956 HydrophobicContact CD1-CD1 3.75Å; Y1569-L1956 HydrophobicContact CD1-CD2 3.7Å; Y1569-L1956 HydrophobicContact CD1-CG 4.25Å; Y1569-L1956 HydrophobicContact CE1-CD1 4.35Å; Y1569-L1956 HydrophobicContact CE1-CD2 3.97Å; A1570-L1956 HydrophobicContact CB-CD2 4.21Å; L1573-L1956 HydrophobicContact CD1-CD2 4.48Å; I1676-L1956 HydrophobicContact CD1-CD2 3.92Å; I1676-L1956 HydrophobicContact CG1-CD2 4.24Å; H1707-L1956 WeakPolarHBondContact CE1-CD2 3.23Å; L1711-L1956 HydrophobicContact CD1-CD2 4.31Å; W1726-L1956 HydrophobicContact CZ3-CD2 3.93Å; L1727-L1956 HydrophobicContact CD2-CB 4.2Å; L1727-L1956 HydrophobicContact CD2-CD1 4.24Å; W1952-L1956 HydrophobicContact CB-CD1 4.07Å; W1952-L1956 HydrophobicContact CB-CG 4.39Å; W1952-L1956 HydrophobicContact CD2-CD1 3.52Å; W1952-L1956 HydrophobicContact CD2-CG 4.33Å; W1952-L1956 HydrophobicContact CE3-CD1 3.86Å; W1952-L1956 HydrophobicContact CG-CD1 3.98Å; W1952-L1956 HydrophobicContact CG-CG 4.33Å; W1952-L1956 HydrophobicContact CH2-CD1 4.23Å; W1952-L1956 HydrophobicContact CZ2-CD1 3.91Å; W1952-L1956 HydrophobicContact CZ3-CD1 4.19Å; W1952-L1956 VanDerWaalsContact O-CB 3.29Å; W1952-L1956 WeakPolarHBondContact O-CB 3.32Å; W1952-L1956 WeakPolarHBondContact O-CD1 3.36Å; W1952-L1956 VanDerWaalsContact O-CG 3.27Å; W1952-L1956 WeakPolarHBondContact O-CG 3.4Å; W1952-L1956 PolarHBondContact O-N 3.04Å; W1952-L1956 VanDerWaalsContact O-N 3.08Å; Y1953-L1956 PolarHBondContact O-N 3.17Å; H1954-L1956 VanDerWaalsContact C-N 3.32Å; H1954-L1956 PolarHBondContact O-N 3.4Å; L1956-P1958 VanDerWaalsContact C-CD 3.44Å; L1956-P1958 WeakPolarHBondContact O-CD 3.5Å; L1956-L1978 HydrophobicContact CD2-CD1 4.34Å; L1956-L1978 HydrophobicContact CD2-CD2 4.11Å; L1956-L1978 HydrophobicContact CD2-CG 4.46Å |
| 1957 | H | 48.6 | Very low | 54.8 | Low | 62 Ų | 62 | 56.9 Ų | 56.9 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | trans | -130 | 72.7 | 179.3 | -73.1 | -58 | 0 | 0 | 0 | 111.7 | Y1953 H1954 Q1959 N1960 S1977 | Y1953-H1957 AromaticContact CD2-CD2 3.8Å; Y1953-H1957 HydrophobicContact CE1-CB 4.32Å; Y1953-H1957 AromaticContact CE2-CD2 3.57Å; Y1953-H1957 WeakPolarHBondContact CE2-CD2 3.17Å; Y1953-H1957 AromaticContact CZ-CD2 3.78Å; Y1953-H1957 WeakPolarHBondContact O-CB 3.12Å; Y1953-H1957 PolarHBondContact O-N 3.01Å; Y1953-H1957 VanDerWaalsContact O-N 3.1Å; H1954-H1957 CarbonylContact O-C 3.46Å; H1954-H1957 PolarHBondContact O-N 3.1Å; H1957-Q1959 PolarHBondContact O-N 3.2Å; H1957-Q1959 VanDerWaalsContact O-N 3.14Å; H1957-N1960 HydrophobicContact CB-CB 3.89Å; H1957-N1960 PolarHBondContact CE1-ND2 3.41Å; H1957-N1960 VanDerWaalsContact CE1-ND2 3.32Å; H1957-N1960 PolarHBondContact ND1-ND2 2.85Å; H1957-N1960 PolarHBondContact O-N 3.04Å; H1957-S1977 PolarHBondContact CE1-OG 2.86Å; H1957-S1977 PolarHBondContact NE2-OG 3.23Å | ||
| 1958 | P | 48.1 | Very low | 54.8 | Low | 76 Ų | 76 | 62.8 Ų | 62.8 | 49% | 0.494 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 4.8 | 174 | 28.1 | -35.9 | 0 | 0 | 0 | 112.9 | N1668 N1672 L1956 N1960 | N1668-P1958 HydrophobicContact CB-CG 4.38Å; N1672-P1958 WeakPolarHBondContact ND2-CD 3.43Å; N1672-P1958 WeakPolarHBondContact ND2-CG 3.36Å; L1956-P1958 VanDerWaalsContact C-CD 3.44Å; L1956-P1958 WeakPolarHBondContact O-CD 3.5Å; P1958-N1960 PolarHBondContact O-N 2.91Å |
| 1959 | Q | 44.8 | Very low | 54.8 | Low | 147 Ų | 147 | 62.3 Ų | 62.3 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -4.5 | 174.6 | -65.7 | -170.6 | -1.9 | 0 | 0 | 113.3 | H1957 E1961 H1982 | H1957-Q1959 PolarHBondContact O-N 3.2Å; H1957-Q1959 VanDerWaalsContact O-N 3.14Å; Q1959-E1961 HydrophobicContact CB-CG 4.23Å; Q1959-E1961 PolarHBondContact O-N 3.36Å; Q1959-H1982 PolarHBondContact OE1-CE1 2.81Å; Q1959-H1982 PolarHBondContact OE1-ND1 2.96Å |
| 1960 | N | 50.7 | Low | 54.8 | Low | 75.2 Ų | 75.2 | 61.1 Ų | 61.1 | 40% | 0.402 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -90 | 97.6 | 173.8 | -69.9 | -17.2 | 0 | 0 | 0 | 110.2 | Y1953 H1954 H1957 P1958 F1962 C1963 T1964 Y2067 | Y1953-N1960 HydrophobicContact CE1-CB 4.33Å; Y1953-N1960 PolarHBondContact OH-ND2 3.29Å; Y1953-N1960 PolarHBondContact OH-O 3.3Å; H1954-N1960 PolarHBondContact CE1-O 2.95Å; H1954-N1960 PolarHBondContact ND1-O 3.14Å; H1957-N1960 HydrophobicContact CB-CB 3.89Å; H1957-N1960 PolarHBondContact CE1-ND2 3.41Å; H1957-N1960 VanDerWaalsContact CE1-ND2 3.32Å; H1957-N1960 PolarHBondContact ND1-ND2 2.85Å; H1957-N1960 PolarHBondContact O-N 3.04Å; P1958-N1960 PolarHBondContact O-N 2.91Å; N1960-F1962 PolarHBondContact O-N 3.24Å; N1960-C1963 PolarHBondContact O-N 2.89Å; N1960-T1964 PolarHBondContact O-N 2.89Å; N1960-Y2067 WeakPolarHBondContact CA-OH 3.38Å; N1960-Y2067 PolarHBondContact ND2-OH 3.37Å; N1960-Y2067 PolarHBondContact OD1-OH 3.39Å |
| 1961 | E | 57.5 | Low | 54.5 | Low | 86.4 Ų | 86.4 | 61.9 Ų | 61.9 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | trans | -57.1 | 138 | 179.3 | -62 | -179.7 | 174.4 | 0 | 0 | 111.9 | S1733 F1735 Y1953 Q1959 C1963 T1964 F1965 Y2067 | S1733-E1961 WeakPolarHBondContact CA-OE1 3.37Å; S1733-E1961 PolarHBondContact N-OE1 2.62Å; F1735-E1961 HydrophobicContact CB-CB 4.11Å; F1735-E1961 WeakPolarHBondContact CB-OE2 3.43Å; F1735-E1961 PolarHBondContact N-OE2 3.03Å; Y1953-E1961 PolarHBondContact OH-O 2.89Å; Q1959-E1961 HydrophobicContact CB-CG 4.23Å; Q1959-E1961 PolarHBondContact O-N 3.36Å; E1961-C1963 HydrophobicContact CB-CB 4.2Å; E1961-C1963 PolarHBondContact O-N 3.25Å; E1961-T1964 WeakPolarHBondContact CA-OG1 3.18Å; E1961-T1964 CarbonylContact O-C 3.44Å; E1961-T1964 WeakPolarHBondContact O-CA 3.16Å; E1961-T1964 VanDerWaalsContact O-CB 3.28Å; E1961-T1964 WeakPolarHBondContact O-CB 3.3Å; E1961-T1964 PolarHBondContact O-N 3.25Å; E1961-T1964 VanDerWaalsContact O-N 3.13Å; E1961-T1964 PolarHBondContact O-OG1 2.93Å; E1961-T1964 PolarHBondContact OE2-OG1 3Å; E1961-F1965 WeakPolarHBondContact O-CB 3.08Å; E1961-F1965 PolarHBondContact O-N 3.16Å; E1961-Y2067 HydrophobicContact CB-CD1 4.09Å; E1961-Y2067 HydrophobicContact CB-CE1 3.92Å; E1961-Y2067 HydrophobicContact CG-CE1 3.65Å; E1961-Y2067 PolarHBondContact OE1-OH 3.37Å | ||
| 1962 | F | 63.5 | Low | 53.6 | Low | 8 Ų | 8 | 67.4 Ų | 67.4 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -33 | 176.4 | -178.1 | -121.5 | 0 | 0 | 0 | 112.3 | F1735 Y1953 H1954 N1960 T1964 F1965 L1966 L2034 L2053 L2056 L2057 Y2067 A2071 | F1735-F1962 AromaticContact CE1-CD2 3.77Å; F1735-F1962 HydrophobicContact CE1-CD2 3.77Å; F1735-F1962 HydrophobicContact CE1-CE2 4.43Å; F1735-F1962 HydrophobicContact CE2-CB 4.25Å; F1735-F1962 HydrophobicContact CE2-CD2 4.05Å; F1735-F1962 HydrophobicContact CE2-CG 4.48Å; F1735-F1962 HydrophobicContact CZ-CB 4.3Å; F1735-F1962 AromaticContact CZ-CD2 3.31Å; F1735-F1962 HydrophobicContact CZ-CD2 3.31Å; F1735-F1962 AromaticContact CZ-CE2 3.99Å; F1735-F1962 HydrophobicContact CZ-CE2 3.99Å; F1735-F1962 HydrophobicContact CZ-CG 4.16Å; Y1953-F1962 HydrophobicContact CD1-CD2 4.49Å; Y1953-F1962 HydrophobicContact CE1-CB 4.14Å; Y1953-F1962 HydrophobicContact CE1-CD2 4.03Å; Y1953-F1962 HydrophobicContact CE1-CG 4.43Å; Y1953-F1962 HydrophobicContact CE2-CD2 4.2Å; Y1953-F1962 AromaticContact CZ-CD2 3.91Å; Y1953-F1962 WeakPolarHBondContact OH-CA 3.4Å; Y1953-F1962 PolarHBondContact OH-N 2.83Å; H1954-F1962 AromaticContact NE2-CD2 3.79Å; N1960-F1962 PolarHBondContact O-N 3.24Å; F1962-T1964 VanDerWaalsContact C-N 3.29Å; F1962-T1964 PolarHBondContact O-N 3.21Å; F1962-F1965 HydrophobicContact CD2-CB 4.43Å; F1962-F1965 AromaticContact CD2-CD1 3.94Å; F1962-F1965 HydrophobicContact CD2-CD1 4.14Å; F1962-F1965 AromaticContact CE2-CD1 3.76Å; F1962-F1965 HydrophobicContact CE2-CD1 3.87Å; F1962-F1965 AromaticContact CE2-CE1 3.97Å; F1962-F1965 HydrophobicContact CE2-CE1 4.26Å; F1962-F1965 HydrophobicContact CZ-CD1 4.34Å; F1962-F1965 WeakPolarHBondContact O-CB 3.24Å; F1962-F1965 PolarHBondContact O-N 3.02Å; F1962-F1965 VanDerWaalsContact O-N 3.15Å; F1962-L1966 HydrophobicContact CD1-CD1 4.03Å; F1962-L1966 HydrophobicContact CD1-CG 4.38Å; F1962-L1966 HydrophobicContact CD2-CG 4.38Å; F1962-L1966 HydrophobicContact CE1-CD1 3.62Å; F1962-L1966 HydrophobicContact CE1-CD2 4.29Å; F1962-L1966 HydrophobicContact CE1-CG 4.1Å; F1962-L1966 HydrophobicContact CE2-CD1 4.31Å; F1962-L1966 HydrophobicContact CE2-CD2 4.22Å; F1962-L1966 HydrophobicContact CE2-CG 4.12Å; F1962-L1966 HydrophobicContact CG-CD1 4.37Å; F1962-L1966 HydrophobicContact CZ-CD1 3.96Å; F1962-L1966 HydrophobicContact CZ-CD2 3.96Å; F1962-L1966 HydrophobicContact CZ-CG 3.97Å; F1962-L1966 WeakPolarHBondContact O-CG 3.34Å; F1962-L1966 PolarHBondContact O-N 3.29Å; F1962-L1966 VanDerWaalsContact O-N 3.09Å; F1962-L2034 HydrophobicContact CE2-CD1 4.47Å; F1962-L2034 HydrophobicContact CZ-CD1 4.39Å; F1962-L2053 HydrophobicContact CZ-CD2 4.2Å; F1962-L2056 HydrophobicContact CD1-CD2 4.38Å; F1962-L2056 HydrophobicContact CD2-CD2 3.8Å; F1962-L2056 HydrophobicContact CE1-CD2 4.15Å; F1962-L2056 HydrophobicContact CE2-CD2 3.55Å; F1962-L2056 HydrophobicContact CE2-CG 4.35Å; F1962-L2056 HydrophobicContact CG-CD2 4.21Å; F1962-L2056 HydrophobicContact CZ-CD2 3.82Å; F1962-L2056 HydrophobicContact CZ-CG 4.5Å; F1962-L2057 HydrophobicContact CD1-CD2 4.47Å; F1962-L2057 HydrophobicContact CE1-CD2 3.84Å; F1962-L2057 HydrophobicContact CZ-CD2 4.36Å; F1962-Y2067 HydrophobicContact CB-CD1 3.66Å; F1962-Y2067 HydrophobicContact CB-CE1 4.19Å; F1962-Y2067 HydrophobicContact CB-CG 3.89Å; F1962-A2071 HydrophobicContact CE1-CB 4.06Å |
| 1963 | C | 60.2 | Low | 52.8 | Low | 20 Ų | 20 | 70.2 Ų | 70.2 | 14% | 0.135 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.1 | -37.8 | 168.6 | -80.4 | 0 | 0 | 0 | 0 | 112.9 | N1960 E1961 F1965 L1966 K1967 Y2067 Y2070 | N1960-C1963 PolarHBondContact O-N 2.89Å; E1961-C1963 HydrophobicContact CB-CB 4.2Å; E1961-C1963 PolarHBondContact O-N 3.25Å; C1963-F1965 VanDerWaalsContact C-N 3.33Å; C1963-F1965 PolarHBondContact O-N 3.3Å; C1963-L1966 PolarHBondContact O-N 3.3Å; C1963-K1967 VanDerWaalsContact O-CB 3.29Å; C1963-K1967 WeakPolarHBondContact O-CB 3.35Å; C1963-K1967 WeakPolarHBondContact O-CG 3.45Å; C1963-K1967 PolarHBondContact O-N 3.09Å; C1963-Y2067 HydrophobicContact CB-CD1 4.05Å; C1963-Y2067 HydrophobicContact CB-CE1 4.27Å; C1963-Y2067 WeakPolarHBondContact SG-CD1 3.36Å; C1963-Y2067 VanDerWaalsContact SG-CG 3.59Å; C1963-Y2070 HydrophobicContact CB-CD1 4.18Å; C1963-Y2070 HydrophobicContact CB-CE1 4.41Å; C1963-Y2070 WeakPolarHBondContact SG-CD1 3.27Å; C1963-Y2070 WeakPolarHBondContact SG-CD2 3.49Å |
| 1964 | T | 62.7 | Low | 52.2 | Low | 51.6 Ų | 51.6 | 69.8 Ų | 69.8 | 32% | 0.317 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 177.5 | -43.6 | 0 | 0 | 0 | 0 | 111.4 | N1960 E1961 F1962 K1967 Y1968 M1974 | N1960-T1964 PolarHBondContact O-N 2.89Å; E1961-T1964 WeakPolarHBondContact CA-OG1 3.18Å; E1961-T1964 CarbonylContact O-C 3.44Å; E1961-T1964 WeakPolarHBondContact O-CA 3.16Å; E1961-T1964 VanDerWaalsContact O-CB 3.28Å; E1961-T1964 WeakPolarHBondContact O-CB 3.3Å; E1961-T1964 PolarHBondContact O-N 3.25Å; E1961-T1964 VanDerWaalsContact O-N 3.13Å; E1961-T1964 PolarHBondContact O-OG1 2.93Å; E1961-T1964 PolarHBondContact OE2-OG1 3Å; F1962-T1964 VanDerWaalsContact C-N 3.29Å; F1962-T1964 PolarHBondContact O-N 3.21Å; T1964-K1967 PolarHBondContact O-N 3.14Å; T1964-Y1968 HydrophobicContact CG2-CD2 3.77Å; T1964-Y1968 HydrophobicContact CG2-CE2 4.12Å; T1964-Y1968 HydrophobicContact CG2-CG 4.37Å; T1964-Y1968 WeakPolarHBondContact O-CB 3.36Å; T1964-Y1968 WeakPolarHBondContact O-CD2 3.29Å; T1964-Y1968 PolarHBondContact O-N 3.22Å; T1964-Y1968 VanDerWaalsContact O-N 3.11Å; T1964-M1974 HydrophobicContact CG2-CE 4.43Å |
| 1965 | F | 65.6 | Low | 51.5 | Low | 23.4 Ų | 23.4 | 70.7 Ų | 70.7 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.2 | 170.4 | -96.2 | 0 | 0 | 0 | 112.2 | F1735 F1739 Y1953 E1961 F1962 C1963 L1970 M1974 G2030 L2033 L2034 | F1735-F1965 HydrophobicContact CD1-CB 4.24Å; F1735-F1965 HydrophobicContact CD1-CD1 4.32Å; F1735-F1965 HydrophobicContact CD1-CD2 4.32Å; F1735-F1965 HydrophobicContact CD1-CG 4.04Å; F1735-F1965 HydrophobicContact CE1-CB 4.36Å; F1735-F1965 AromaticContact CE1-CD1 3.73Å; F1735-F1965 HydrophobicContact CE1-CD1 3.73Å; F1735-F1965 HydrophobicContact CE1-CD2 4.44Å; F1735-F1965 HydrophobicContact CE1-CE1 4.1Å; F1735-F1965 AromaticContact CE1-CG 3.92Å; F1735-F1965 HydrophobicContact CE1-CG 3.92Å; F1739-F1965 HydrophobicContact CB-CE2 3.88Å; F1739-F1965 HydrophobicContact CB-CZ 3.94Å; F1739-F1965 HydrophobicContact CD1-CE2 4.25Å; F1739-F1965 AromaticContact CD1-CZ 3.76Å; F1739-F1965 HydrophobicContact CD1-CZ 3.76Å; F1739-F1965 AromaticContact CD2-CE1 3.74Å; F1739-F1965 HydrophobicContact CD2-CE1 3.74Å; F1739-F1965 HydrophobicContact CD2-CE2 4.13Å; F1739-F1965 AromaticContact CD2-CZ 3.31Å; F1739-F1965 HydrophobicContact CD2-CZ 3.31Å; F1739-F1965 HydrophobicContact CE1-CZ 4.13Å; F1739-F1965 AromaticContact CE2-CE1 3.89Å; F1739-F1965 HydrophobicContact CE2-CE1 3.89Å; F1739-F1965 AromaticContact CE2-CZ 3.68Å; F1739-F1965 HydrophobicContact CE2-CZ 3.68Å; F1739-F1965 HydrophobicContact CG-CE1 4.25Å; F1739-F1965 AromaticContact CG-CE2 3.81Å; F1739-F1965 HydrophobicContact CG-CE2 3.81Å; F1739-F1965 AromaticContact CG-CZ 3.35Å; F1739-F1965 HydrophobicContact CG-CZ 3.35Å; F1739-F1965 HydrophobicContact CZ-CZ 4.07Å; Y1953-F1965 HydrophobicContact CD2-CG 4.49Å; Y1953-F1965 HydrophobicContact CE1-CB 4.12Å; Y1953-F1965 HydrophobicContact CE1-CD2 4.39Å; Y1953-F1965 HydrophobicContact CE2-CB 3.93Å; Y1953-F1965 HydrophobicContact CE2-CD2 4.45Å; Y1953-F1965 HydrophobicContact CE2-CG 4.2Å; E1961-F1965 WeakPolarHBondContact O-CB 3.08Å; E1961-F1965 PolarHBondContact O-N 3.16Å; F1962-F1965 HydrophobicContact CD2-CB 4.43Å; F1962-F1965 AromaticContact CD2-CD1 3.94Å; F1962-F1965 HydrophobicContact CD2-CD1 4.14Å; F1962-F1965 AromaticContact CE2-CD1 3.76Å; F1962-F1965 HydrophobicContact CE2-CD1 3.87Å; F1962-F1965 AromaticContact CE2-CE1 3.97Å; F1962-F1965 HydrophobicContact CE2-CE1 4.26Å; F1962-F1965 HydrophobicContact CZ-CD1 4.34Å; F1962-F1965 WeakPolarHBondContact O-CB 3.24Å; F1962-F1965 PolarHBondContact O-N 3.02Å; F1962-F1965 VanDerWaalsContact O-N 3.15Å; C1963-F1965 VanDerWaalsContact C-N 3.33Å; C1963-F1965 PolarHBondContact O-N 3.3Å; F1965-L1970 HydrophobicContact CD2-CD2 4.1Å; F1965-L1970 HydrophobicContact CE2-CD2 3.89Å; F1965-M1974 HydrophobicContact CB-CE 3.99Å; F1965-M1974 HydrophobicContact CD2-CE 4.07Å; F1965-M1974 HydrophobicContact CE2-CE 4Å; F1965-G2030 VanDerWaalsContact CZ-CA 3.43Å; F1965-G2030 VanDerWaalsContact O-CA 3.28Å; F1965-G2030 WeakPolarHBondContact O-CA 3.36Å; F1965-G2030 PolarHBondContact O-N 3.11Å; F1965-G2030 VanDerWaalsContact O-N 3.14Å; F1965-L2033 HydrophobicContact CE2-CD1 3.95Å; F1965-L2033 HydrophobicContact CZ-CB 4.48Å; F1965-L2033 HydrophobicContact CZ-CD1 3.83Å; F1965-L2033 HydrophobicContact CZ-CD2 4.38Å; F1965-L2034 HydrophobicContact CE1-CD1 4.07Å; F1965-L2034 HydrophobicContact CE1-CG 4.28Å |
| 1966 | L | 65.7 | Low | 50.8 | Low | 10.2 Ų | 10.2 | 69.5 Ų | 69.5 | 5% | 0.053 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 178.4 | -69.9 | 177.7 | 0 | 0 | 0 | 113.2 | F1962 C1963 A2031 L2034 Y2070 A2071 | F1962-L1966 HydrophobicContact CD1-CD1 4.03Å; F1962-L1966 HydrophobicContact CD1-CG 4.38Å; F1962-L1966 HydrophobicContact CD2-CG 4.38Å; F1962-L1966 HydrophobicContact CE1-CD1 3.62Å; F1962-L1966 HydrophobicContact CE1-CD2 4.29Å; F1962-L1966 HydrophobicContact CE1-CG 4.1Å; F1962-L1966 HydrophobicContact CE2-CD1 4.31Å; F1962-L1966 HydrophobicContact CE2-CD2 4.22Å; F1962-L1966 HydrophobicContact CE2-CG 4.12Å; F1962-L1966 HydrophobicContact CG-CD1 4.37Å; F1962-L1966 HydrophobicContact CZ-CD1 3.96Å; F1962-L1966 HydrophobicContact CZ-CD2 3.96Å; F1962-L1966 HydrophobicContact CZ-CG 3.97Å; F1962-L1966 WeakPolarHBondContact O-CG 3.34Å; F1962-L1966 PolarHBondContact O-N 3.29Å; F1962-L1966 VanDerWaalsContact O-N 3.09Å; C1963-L1966 PolarHBondContact O-N 3.3Å; L1966-A2031 HydrophobicContact CD2-CB 4.44Å; L1966-A2031 WeakPolarHBondContact O-CB 3.42Å; L1966-A2031 PolarHBondContact O-N 2.86Å; L1966-L2034 HydrophobicContact CD2-CD1 3.71Å; L1966-Y2070 HydrophobicContact CB-CE1 4.26Å; L1966-Y2070 HydrophobicContact CD1-CD1 4.05Å; L1966-Y2070 HydrophobicContact CD1-CE1 4.28Å; L1966-A2071 HydrophobicContact CD1-CB 4.14Å |
| 1967 | K | 63 | Low | 50.2 | Low | 123.6 Ų | 123.6 | 69.3 Ų | 69.3 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -94.6 | -29.1 | -168 | -135.3 | 172.8 | -177.8 | 172.7 | 0 | 115.1 | C1963 T1964 Y2070 E2073 | C1963-K1967 VanDerWaalsContact O-CB 3.29Å; C1963-K1967 WeakPolarHBondContact O-CB 3.35Å; C1963-K1967 WeakPolarHBondContact O-CG 3.45Å; C1963-K1967 PolarHBondContact O-N 3.09Å; T1964-K1967 PolarHBondContact O-N 3.14Å; K1967-Y2070 VanDerWaalsContact CE-CE2 3.41Å; K1967-Y2070 WeakPolarHBondContact CE-OH 3.47Å; K1967-Y2070 HydrophobicContact CG-CE1 4.14Å; K1967-Y2070 WeakPolarHBondContact CG-OH 3.5Å; K1967-E2073 IonicContact NZ-OE2 3.27Å |
| 1968 | Y | 56 | Low | 49.4 | Very low | 143 Ų | 143 | 69.5 Ų | 69.5 | 56% | 0.561 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -98.2 | 148.7 | -176.2 | -71.4 | -84.3 | 0 | 0 | 0 | 112.3 | T1964 L1970 | T1964-Y1968 HydrophobicContact CG2-CD2 3.77Å; T1964-Y1968 HydrophobicContact CG2-CE2 4.12Å; T1964-Y1968 HydrophobicContact CG2-CG 4.37Å; T1964-Y1968 WeakPolarHBondContact O-CB 3.36Å; T1964-Y1968 WeakPolarHBondContact O-CD2 3.29Å; T1964-Y1968 PolarHBondContact O-N 3.22Å; T1964-Y1968 VanDerWaalsContact O-N 3.11Å; Y1968-L1970 PolarHBondContact O-N 3.25Å |
| 1969 | P | 52.7 | Low | 48.7 | Very low | 52.6 Ų | 52.6 | 68.7 Ų | 68.7 | 34% | 0.342 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -54 | 134.3 | 170.1 | -7.9 | 9.2 | 0 | 0 | 0 | 111.7 | S1971 Q2027 L2028 | P1969-S1971 VanDerWaalsContact C-N 3.26Å; P1969-S1971 PolarHBondContact O-N 2.9Å; P1969-S1971 VanDerWaalsContact O-N 3.11Å; P1969-Q2027 HydrophobicContact CB-CB 3.93Å; P1969-Q2027 HydrophobicContact CB-CG 4.27Å; P1969-Q2027 HydrophobicContact CG-CB 3.84Å; P1969-Q2027 HydrophobicContact CG-CG 4.25Å; P1969-L2028 WeakPolarHBondContact CA-O 3.2Å |
| 1970 | L | 53.1 | Low | 47.9 | Very low | 19.2 Ų | 19.2 | 68.3 Ų | 68.3 | 10% | 0.101 | 34% | 0.343 | C | S | . | . | trans | -62.4 | 106 | 171.8 | -66.9 | 167.8 | 0 | 0 | 0 | 108.9 | F1965 Y1968 M1974 L1975 L2028 T2029 L2033 | F1965-L1970 HydrophobicContact CD2-CD2 4.1Å; F1965-L1970 HydrophobicContact CE2-CD2 3.89Å; Y1968-L1970 PolarHBondContact O-N 3.25Å; L1970-M1974 HydrophobicContact CB-CB 4.47Å; L1970-M1974 HydrophobicContact CB-CG 4.34Å; L1970-M1974 HydrophobicContact CB-SD 4.18Å; L1970-M1974 HydrophobicContact CD1-CE 4.13Å; L1970-M1974 HydrophobicContact CD2-CE 4Å; L1970-M1974 HydrophobicContact CD2-SD 4.12Å; L1970-M1974 HydrophobicContact CG-CE 4.41Å; L1970-M1974 HydrophobicContact CG-SD 4.35Å; L1970-L1975 HydrophobicContact CB-CD1 4.26Å; L1970-L1975 HydrophobicContact CB-CD2 4.27Å; L1970-L1975 HydrophobicContact CB-CG 4.28Å; L1970-L1975 HydrophobicContact CD1-CD2 4.19Å; L1970-L1975 WeakPolarHBondContact O-CD1 3.26Å; L1970-L2028 WeakPolarHBondContact CB-O 3.36Å; L1970-L2028 HydrophobicContact CD1-CB 4.29Å; L1970-L2028 HydrophobicContact CD1-CD2 4.05Å; L1970-L2028 HydrophobicContact CD1-CG 4.22Å; L1970-L2028 WeakPolarHBondContact CD1-O 3.37Å; L1970-L2028 VanDerWaalsContact CG-O 3.28Å; L1970-L2028 WeakPolarHBondContact CG-O 3.26Å; L1970-L2028 PolarHBondContact N-O 3.16Å; L1970-T2029 WeakPolarHBondContact CD1-O 3.35Å; L1970-L2033 HydrophobicContact CD1-CB 4.16Å; L1970-L2033 HydrophobicContact CD1-CD1 3.65Å; L1970-L2033 HydrophobicContact CD1-CD2 4.11Å; L1970-L2033 HydrophobicContact CD1-CG 4.15Å | ||
| 1971 | S | 46.7 | Very low | 47 | Very low | 61.8 Ų | 61.8 | 69.7 Ų | 69.7 | 43% | 0.432 | 35% | 0.35 | S | S | . | . | trans | -59.1 | 149.6 | -174.5 | 75.5 | 0 | 0 | 0 | 0 | 111.3 | P1969 K1973 M1974 L1975 | P1969-S1971 VanDerWaalsContact C-N 3.26Å; P1969-S1971 PolarHBondContact O-N 2.9Å; P1969-S1971 VanDerWaalsContact O-N 3.11Å; S1971-K1973 PolarHBondContact O-N 3.15Å; S1971-K1973 VanDerWaalsContact O-N 3.09Å; S1971-K1973 WeakPolarHBondContact OG-CB 3.33Å; S1971-K1973 PolarHBondContact OG-N 3.33Å; S1971-M1974 WeakPolarHBondContact O-CA 3.26Å; S1971-M1974 VanDerWaalsContact O-CB 3.23Å; S1971-M1974 WeakPolarHBondContact O-CB 3.37Å; S1971-M1974 PolarHBondContact O-N 3.22Å; S1971-M1974 WeakPolarHBondContact OG-CB 3.5Å; S1971-M1974 PolarHBondContact OG-N 3.38Å; S1971-L1975 PolarHBondContact O-N 3.1Å; S1971-L1975 VanDerWaalsContact O-N 3.12Å | ||
| 1972 | Y | 35.2 | Very low | 45.6 | Very low | 152.8 Ų | 152.8 | 73.3 Ų | 73.3 | 60% | 0.599 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -52.3 | -32.9 | 175.1 | -179.3 | -105.3 | 0 | 0 | 0 | 112.4 | Y1922 M1974 L1975 V1976 | Y1922-Y1972 HydrophobicContact CD1-CD2 4.31Å; Y1922-Y1972 HydrophobicContact CD2-CE2 4.41Å; Y1922-Y1972 AromaticContact CE1-CD2 3.39Å; Y1922-Y1972 HydrophobicContact CE1-CD2 3.74Å; Y1922-Y1972 AromaticContact CE1-CE2 3.64Å; Y1922-Y1972 HydrophobicContact CE1-CE2 3.64Å; Y1922-Y1972 AromaticContact CE1-CG 3.9Å; Y1922-Y1972 HydrophobicContact CE1-CG 3.9Å; Y1922-Y1972 HydrophobicContact CE2-CD2 4.16Å; Y1922-Y1972 AromaticContact CE2-CE2 3.6Å; Y1922-Y1972 HydrophobicContact CE2-CE2 3.6Å; Y1922-Y1972 AromaticContact CE2-CZ 3.83Å; Y1922-Y1972 AromaticContact CZ-CD2 3.33Å; Y1922-Y1972 AromaticContact CZ-CE2 3.49Å; Y1922-Y1972 AromaticContact CZ-CG 3.75Å; Y1922-Y1972 AromaticContact CZ-CZ 3.6Å; Y1922-Y1972 WeakPolarHBondContact OH-CD1 3.31Å; Y1922-Y1972 VanDerWaalsContact OH-CD2 3.24Å; Y1922-Y1972 WeakPolarHBondContact OH-CD2 3.33Å; Y1922-Y1972 WeakPolarHBondContact OH-CE1 3.26Å; Y1922-Y1972 VanDerWaalsContact OH-CE2 3.28Å; Y1922-Y1972 WeakPolarHBondContact OH-CE2 3.27Å; Y1922-Y1972 VanDerWaalsContact OH-CZ 3.22Å; Y1922-Y1972 PolarHBondContact OH-OH 3.21Å; Y1972-M1974 VanDerWaalsContact C-N 3.31Å; Y1972-M1974 PolarHBondContact O-N 3.22Å; Y1972-L1975 PolarHBondContact O-N 3.23Å; Y1972-V1976 HydrophobicContact CD1-CB 3.86Å; Y1972-V1976 HydrophobicContact CD1-CG1 4.36Å; Y1972-V1976 HydrophobicContact CD1-CG2 3.98Å; Y1972-V1976 HydrophobicContact CD2-CB 4.45Å; Y1972-V1976 HydrophobicContact CD2-CG2 3.88Å; Y1972-V1976 HydrophobicContact CE1-CB 3.89Å; Y1972-V1976 HydrophobicContact CE1-CG1 4.04Å; Y1972-V1976 HydrophobicContact CE1-CG2 3.79Å; Y1972-V1976 VanDerWaalsContact CE1-CG2 3.43Å; Y1972-V1976 HydrophobicContact CE2-CB 4.22Å; Y1972-V1976 HydrophobicContact CE2-CG2 3.53Å; Y1972-V1976 VanDerWaalsContact CE2-CG2 3.42Å; Y1972-V1976 HydrophobicContact CG-CB 4.36Å; Y1972-V1976 HydrophobicContact CG-CG2 4.17Å; Y1972-V1976 WeakPolarHBondContact O-CA 3.37Å; Y1972-V1976 VanDerWaalsContact O-CB 3.24Å; Y1972-V1976 WeakPolarHBondContact O-CB 3.49Å; Y1972-V1976 VanDerWaalsContact O-CG2 3.25Å; Y1972-V1976 WeakPolarHBondContact O-CG2 3.38Å; Y1972-V1976 PolarHBondContact O-N 3.12Å |
| 1973 | K | 34.3 | Very low | 43.8 | Very low | 159.2 Ų | 159.2 | 77.9 Ų | 77.9 | 69% | 0.692 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.9 | -26.3 | 173.5 | -96.6 | -173.9 | 177.4 | -177.7 | 0 | 114 | S1971 V1976 S1977 | S1971-K1973 PolarHBondContact O-N 3.15Å; S1971-K1973 VanDerWaalsContact O-N 3.09Å; S1971-K1973 WeakPolarHBondContact OG-CB 3.33Å; S1971-K1973 PolarHBondContact OG-N 3.33Å; K1973-V1976 PolarHBondContact O-N 2.99Å; K1973-S1977 WeakPolarHBondContact O-CA 3.35Å; K1973-S1977 WeakPolarHBondContact O-CB 3.36Å; K1973-S1977 PolarHBondContact O-N 3.38Å; K1973-S1977 PolarHBondContact O-OG 3.25Å; K1973-S1977 VanDerWaalsContact O-OG 3.09Å |
| 1974 | M | 40.2 | Very low | 42.3 | Very low | 33 Ų | 33 | 82.6 Ų | 82.6 | 16% | 0.163 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -86.3 | -31.4 | 178.8 | -151 | 164.8 | 149.8 | 0 | 0 | 112 | G1736 L1740 F1930 Y1953 T1964 F1965 L1970 S1971 Y1972 V1976 S1977 L1978 | G1736-M1974 VanDerWaalsContact C-CE 3.48Å; G1736-M1974 WeakPolarHBondContact O-CE 3.42Å; L1740-M1974 HydrophobicContact CB-CE 3.88Å; L1740-M1974 HydrophobicContact CD1-CE 4.36Å; L1740-M1974 HydrophobicContact CD2-CE 3.82Å; L1740-M1974 HydrophobicContact CD2-CG 3.56Å; L1740-M1974 HydrophobicContact CG-CE 4.24Å; F1930-M1974 HydrophobicContact CE1-CG 4.5Å; F1930-M1974 HydrophobicContact CZ-CG 3.87Å; F1930-M1974 HydrophobicContact CZ-SD 4.3Å; Y1953-M1974 HydrophobicContact CE1-CE 4.31Å; Y1953-M1974 HydrophobicContact CE1-SD 4.15Å; Y1953-M1974 HydrophobicContact CE2-CE 4.33Å; Y1953-M1974 HydrophobicContact CE2-CG 4.21Å; Y1953-M1974 HydrophobicContact CE2-SD 4.49Å; Y1953-M1974 VanDerWaalsContact OH-CE 3.29Å; Y1953-M1974 WeakPolarHBondContact OH-CE 3.5Å; Y1953-M1974 PolarHBondContact OH-SD 3.17Å; T1964-M1974 HydrophobicContact CG2-CE 4.43Å; F1965-M1974 HydrophobicContact CB-CE 3.99Å; F1965-M1974 HydrophobicContact CD2-CE 4.07Å; F1965-M1974 HydrophobicContact CE2-CE 4Å; L1970-M1974 HydrophobicContact CB-CB 4.47Å; L1970-M1974 HydrophobicContact CB-CG 4.34Å; L1970-M1974 HydrophobicContact CB-SD 4.18Å; L1970-M1974 HydrophobicContact CD1-CE 4.13Å; L1970-M1974 HydrophobicContact CD2-CE 4Å; L1970-M1974 HydrophobicContact CD2-SD 4.12Å; L1970-M1974 HydrophobicContact CG-CE 4.41Å; L1970-M1974 HydrophobicContact CG-SD 4.35Å; S1971-M1974 WeakPolarHBondContact O-CA 3.26Å; S1971-M1974 VanDerWaalsContact O-CB 3.23Å; S1971-M1974 WeakPolarHBondContact O-CB 3.37Å; S1971-M1974 PolarHBondContact O-N 3.22Å; S1971-M1974 WeakPolarHBondContact OG-CB 3.5Å; S1971-M1974 PolarHBondContact OG-N 3.38Å; Y1972-M1974 VanDerWaalsContact C-N 3.31Å; Y1972-M1974 PolarHBondContact O-N 3.22Å; M1974-V1976 VanDerWaalsContact C-N 3.34Å; M1974-V1976 PolarHBondContact O-N 3.14Å; M1974-S1977 WeakPolarHBondContact CA-OG 3.4Å; M1974-S1977 PolarHBondContact O-N 3.1Å; M1974-S1977 PolarHBondContact O-OG 3.19Å; M1974-S1977 VanDerWaalsContact O-OG 3.12Å; M1974-L1978 WeakPolarHBondContact O-CG 3.45Å; M1974-L1978 PolarHBondContact O-N 3.32Å |
| 1975 | L | 39.1 | Very low | 40.7 | Very low | 62.2 Ų | 62.2 | 86.2 Ų | 86.2 | 33% | 0.326 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -81.1 | -31.1 | 172.2 | -71.9 | 167.8 | 0 | 0 | 0 | 112.8 | L1970 S1971 Y1972 S1977 L1978 S1979 L2028 | L1970-L1975 HydrophobicContact CB-CD1 4.26Å; L1970-L1975 HydrophobicContact CB-CD2 4.27Å; L1970-L1975 HydrophobicContact CB-CG 4.28Å; L1970-L1975 HydrophobicContact CD1-CD2 4.19Å; L1970-L1975 WeakPolarHBondContact O-CD1 3.26Å; S1971-L1975 PolarHBondContact O-N 3.1Å; S1971-L1975 VanDerWaalsContact O-N 3.12Å; Y1972-L1975 PolarHBondContact O-N 3.23Å; L1975-S1977 VanDerWaalsContact C-N 3.35Å; L1975-S1977 PolarHBondContact O-N 2.96Å; L1975-L1978 HydrophobicContact CD2-CD1 4.1Å; L1975-L1978 VanDerWaalsContact O-CB 3.24Å; L1975-L1978 WeakPolarHBondContact O-CB 3.48Å; L1975-L1978 PolarHBondContact O-N 3.36Å; L1975-S1979 PolarHBondContact O-N 2.89Å; L1975-S1979 PolarHBondContact O-OG 3.17Å; L1975-L2028 HydrophobicContact CD2-CB 3.74Å; L1975-L2028 HydrophobicContact CD2-CD2 4.23Å |
| 1976 | V | 33.8 | Very low | 38.9 | Very low | 31.2 Ų | 31.2 | 91.4 Ų | 91.4 | 19% | 0.189 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -89 | -15.8 | 179.4 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | P1693 Y1972 K1973 M1974 L1978 S1979 Q1980 | P1693-V1976 HydrophobicContact CB-CG1 4.48Å; Y1972-V1976 HydrophobicContact CD1-CB 3.86Å; Y1972-V1976 HydrophobicContact CD1-CG1 4.36Å; Y1972-V1976 HydrophobicContact CD1-CG2 3.98Å; Y1972-V1976 HydrophobicContact CD2-CB 4.45Å; Y1972-V1976 HydrophobicContact CD2-CG2 3.88Å; Y1972-V1976 HydrophobicContact CE1-CB 3.89Å; Y1972-V1976 HydrophobicContact CE1-CG1 4.04Å; Y1972-V1976 HydrophobicContact CE1-CG2 3.79Å; Y1972-V1976 VanDerWaalsContact CE1-CG2 3.43Å; Y1972-V1976 HydrophobicContact CE2-CB 4.22Å; Y1972-V1976 HydrophobicContact CE2-CG2 3.53Å; Y1972-V1976 VanDerWaalsContact CE2-CG2 3.42Å; Y1972-V1976 HydrophobicContact CG-CB 4.36Å; Y1972-V1976 HydrophobicContact CG-CG2 4.17Å; Y1972-V1976 WeakPolarHBondContact O-CA 3.37Å; Y1972-V1976 VanDerWaalsContact O-CB 3.24Å; Y1972-V1976 WeakPolarHBondContact O-CB 3.49Å; Y1972-V1976 VanDerWaalsContact O-CG2 3.25Å; Y1972-V1976 WeakPolarHBondContact O-CG2 3.38Å; Y1972-V1976 PolarHBondContact O-N 3.12Å; K1973-V1976 PolarHBondContact O-N 2.99Å; M1974-V1976 VanDerWaalsContact C-N 3.34Å; M1974-V1976 PolarHBondContact O-N 3.14Å; V1976-L1978 VanDerWaalsContact C-N 3.35Å; V1976-L1978 PolarHBondContact O-N 3.04Å; V1976-L1978 VanDerWaalsContact O-N 3.12Å; V1976-S1979 WeakPolarHBondContact CA-OG 3.26Å; V1976-S1979 PolarHBondContact O-N 3.24Å; V1976-S1979 VanDerWaalsContact O-N 3.1Å; V1976-S1979 PolarHBondContact O-OG 3.06Å; V1976-Q1980 HydrophobicContact CG1-CG 3.91Å; V1976-Q1980 VanDerWaalsContact CG1-NE2 3.33Å; V1976-Q1980 PolarHBondContact O-N 3.15Å; V1976-Q1980 VanDerWaalsContact O-N 3.1Å |
| 1977 | S | 33.5 | Very low | 37.1 | Very low | 56.4 Ų | 56.4 | 98.1 Ų | 98.1 | 39% | 0.394 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -20.7 | 171.9 | 25.7 | 0 | 0 | 0 | 0 | 113.7 | H1957 K1973 M1974 L1975 S1979 Q1980 | H1957-S1977 PolarHBondContact CE1-OG 2.86Å; H1957-S1977 PolarHBondContact NE2-OG 3.23Å; K1973-S1977 WeakPolarHBondContact O-CA 3.35Å; K1973-S1977 WeakPolarHBondContact O-CB 3.36Å; K1973-S1977 PolarHBondContact O-N 3.38Å; K1973-S1977 PolarHBondContact O-OG 3.25Å; K1973-S1977 VanDerWaalsContact O-OG 3.09Å; M1974-S1977 WeakPolarHBondContact CA-OG 3.4Å; M1974-S1977 PolarHBondContact O-N 3.1Å; M1974-S1977 PolarHBondContact O-OG 3.19Å; M1974-S1977 VanDerWaalsContact O-OG 3.12Å; L1975-S1977 VanDerWaalsContact C-N 3.35Å; L1975-S1977 PolarHBondContact O-N 2.96Å; S1977-S1979 PolarHBondContact O-N 3.38Å; S1977-S1979 VanDerWaalsContact O-N 3.11Å; S1977-Q1980 PolarHBondContact O-N 3.16Å |
| 1978 | L | 31.9 | Very low | 35.4 | Very low | 66.4 Ų | 66.4 | 100.7 Ų | 100.7 | 35% | 0.348 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -2 | 174.9 | -65 | 168.2 | 0 | 0 | 0 | 113.8 | N1691 P1693 W1743 Q1744 A1946 L1956 M1974 L1975 V1976 | N1691-L1978 CarbonylContact C-O 3.6Å; N1691-L1978 VanDerWaalsContact C-O 3.31Å; N1691-L1978 WeakPolarHBondContact CA-O 3.4Å; P1693-L1978 HydrophobicContact CB-CD1 4.35Å; P1693-L1978 WeakPolarHBondContact O-CD1 3.23Å; W1743-L1978 HydrophobicContact CZ3-CD1 4.35Å; Q1744-L1978 HydrophobicContact CG-CD2 3.98Å; A1946-L1978 HydrophobicContact CB-CD2 3.56Å; L1956-L1978 HydrophobicContact CD2-CD1 4.34Å; L1956-L1978 HydrophobicContact CD2-CD2 4.11Å; L1956-L1978 HydrophobicContact CD2-CG 4.46Å; M1974-L1978 WeakPolarHBondContact O-CG 3.45Å; M1974-L1978 PolarHBondContact O-N 3.32Å; L1975-L1978 HydrophobicContact CD2-CD1 4.1Å; L1975-L1978 VanDerWaalsContact O-CB 3.24Å; L1975-L1978 WeakPolarHBondContact O-CB 3.48Å; L1975-L1978 PolarHBondContact O-N 3.36Å; V1976-L1978 VanDerWaalsContact C-N 3.35Å; V1976-L1978 PolarHBondContact O-N 3.04Å; V1976-L1978 VanDerWaalsContact O-N 3.12Å |
| 1979 | S | 32.3 | Very low | 34.1 | Very low | 59.4 Ų | 59.4 | 104.9 Ų | 104.9 | 42% | 0.415 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -6.9 | -172.7 | 67.2 | 0 | 0 | 0 | 0 | 115.5 | L1975 V1976 S1977 N1981 | L1975-S1979 PolarHBondContact O-N 2.89Å; L1975-S1979 PolarHBondContact O-OG 3.17Å; V1976-S1979 WeakPolarHBondContact CA-OG 3.26Å; V1976-S1979 PolarHBondContact O-N 3.24Å; V1976-S1979 VanDerWaalsContact O-N 3.1Å; V1976-S1979 PolarHBondContact O-OG 3.06Å; S1977-S1979 PolarHBondContact O-N 3.38Å; S1977-S1979 VanDerWaalsContact O-N 3.11Å; S1979-N1981 PolarHBondContact O-N 3.01Å; S1979-N1981 VanDerWaalsContact O-N 3.14Å |
| 1980 | Q | 28.9 | Very low | 32.9 | Very low | 139.6 Ų | 139.6 | 107.5 Ų | 107.5 | 65% | 0.652 | 56% | 0.563 | S | S | * | * | trans | -104.6 | 82.5 | -175.5 | -89.2 | -179.6 | 3 | 0 | 0 | 114.1 | V1976 S1977 H1982 | V1976-Q1980 HydrophobicContact CG1-CG 3.91Å; V1976-Q1980 VanDerWaalsContact CG1-NE2 3.33Å; V1976-Q1980 PolarHBondContact O-N 3.15Å; V1976-Q1980 VanDerWaalsContact O-N 3.1Å; S1977-Q1980 PolarHBondContact O-N 3.16Å; Q1980-H1982 PolarHBondContact O-N 3.06Å | ||
| 1981 | N | 30.3 | Very low | 31.7 | Very low | 104 Ų | 104 | 112.2 Ų | 112.2 | 56% | 0.556 | 60% | 0.595 | S | S | * | * | trans | -102.6 | 78.8 | 167.9 | -84.9 | -28.2 | 0 | 0 | 0 | 114.8 | T1504 Q1710 W1743 S1979 S1983 | T1504-N1981 VanDerWaalsContact CB-ND2 3.33Å; T1504-N1981 WeakPolarHBondContact CB-ND2 3.28Å; T1504-N1981 VanDerWaalsContact CG2-ND2 3.34Å; T1504-N1981 WeakPolarHBondContact CG2-ND2 3.29Å; T1504-N1981 PolarHBondContact OG1-ND2 2.9Å; Q1710-N1981 PolarHBondContact NE2-OD1 3.33Å; W1743-N1981 VanDerWaalsContact CE2-ND2 3.31Å; W1743-N1981 HydrophobicContact CH2-CB 3.8Å; W1743-N1981 HydrophobicContact CZ2-CB 3.96Å; W1743-N1981 WeakPolarHBondContact CZ2-ND2 3.31Å; W1743-N1981 HydrophobicContact CZ3-CB 4.49Å; S1979-N1981 PolarHBondContact O-N 3.01Å; S1979-N1981 VanDerWaalsContact O-N 3.14Å; N1981-S1983 PolarHBondContact O-N 3.19Å | ||
| 1982 | H | 29.2 | Very low | 30.9 | Very low | 162 Ų | 162 | 114.8 Ų | 114.8 | 75% | 0.75 | 61% | 0.613 | S | S | * | * | trans | -108.1 | 79.9 | 163 | -81 | -64 | 0 | 0 | 0 | 112.3 | Q1959 Q1980 | Q1959-H1982 PolarHBondContact OE1-CE1 2.81Å; Q1959-H1982 PolarHBondContact OE1-ND1 2.96Å; Q1980-H1982 PolarHBondContact O-N 3.06Å | ||
| 1983 | S | 26.4 | Very low | 30.6 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | trans | -117.8 | 86.3 | 158.1 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | N1981 V1985 | N1981-S1983 PolarHBondContact O-N 3.19Å; S1983-V1985 PolarHBondContact O-N 2.9Å | ||
| 1984 | T | 26.9 | Very low | 30.4 | Very low | 119.8 Ų | 119.8 | 115.3 Ų | 115.3 | 74% | 0.735 | 62% | 0.618 | S | S | * | * | trans | -82.5 | 102.9 | 162.3 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1985 | V | 29.1 | Very low | 29.9 | Very low | 125.6 Ų | 125.6 | 124.9 Ų | 124.9 | 76% | 0.761 | 65% | 0.653 | S | S | * | * | trans | -125.7 | 110.8 | 137.9 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | S1983 D1987 | S1983-V1985 PolarHBondContact O-N 2.9Å; V1985-D1987 PolarHBondContact O-N 3.2Å; V1985-D1987 VanDerWaalsContact O-N 3.16Å | ||
| 1986 | D | 28.4 | Very low | 29.4 | Very low | 134.4 Ų | 134.4 | 125.5 Ų | 125.5 | 72% | 0.719 | 67% | 0.673 | S | S | * | * | trans | -57.8 | 129.2 | 165.1 | -66.8 | -55.7 | 0 | 0 | 0 | 113.3 | H1988 | D1986-H1988 HydrophobicContact CB-CB 4.25Å; D1986-H1988 PolarHBondContact O-N 3.27Å | ||
| 1987 | D | 28 | Very low | 29.3 | Very low | 150.6 Ų | 150.6 | 128.9 Ų | 128.9 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | trans | -74.4 | 91.4 | 151.2 | -107.7 | -28.5 | 0 | 0 | 0 | 113.8 | V1985 | V1985-D1987 PolarHBondContact O-N 3.2Å; V1985-D1987 VanDerWaalsContact O-N 3.16Å | ||
| 1988 | H | 28.5 | Very low | 29.1 | Very low | 177.2 Ų | 177.2 | 132.3 Ų | 132.3 | 82% | 0.82 | 71% | 0.713 | S | S | * | * | trans | -105.7 | 85.3 | 162.7 | -90.8 | -35.4 | 0 | 0 | 0 | 111.4 | D1986 S1990 | D1986-H1988 HydrophobicContact CB-CB 4.25Å; D1986-H1988 PolarHBondContact O-N 3.27Å; H1988-S1990 VanDerWaalsContact C-N 3.34Å; H1988-S1990 PolarHBondContact O-N 3.16Å | ||
| 1989 | R | 27.3 | Very low | 29.2 | Very low | 232 Ų | 232 | 136.4 Ų | 136.4 | 88% | 0.875 | 73% | 0.729 | S | S | * | * | trans | -110.3 | 128.9 | 156.4 | -80.3 | 175.3 | 176 | -168.9 | -0.7 | 113 | C1991 | R1989-C1991 PolarHBondContact O-N 2.84Š| ||
| 1990 | S | 27.9 | Very low | 29.2 | Very low | 107.6 Ų | 107.6 | 143.4 Ų | 143.4 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | 106.4 | 111.6 | 159 | 150.8 | 0 | 0 | 0 | 0 | 113.3 | H1988 C1992 | H1988-S1990 VanDerWaalsContact C-N 3.34Å; H1988-S1990 PolarHBondContact O-N 3.16Å; S1990-C1992 PolarHBondContact O-N 3.28Å | ||
| 1991 | C | 27.7 | Very low | 29.2 | Very low | 116.4 Ų | 116.4 | 146 Ų | 146 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | 174.9 | 117.1 | 106.7 | -83.9 | 0 | 0 | 0 | 0 | 114.1 | R1989 | R1989-C1991 PolarHBondContact O-N 2.84Š| |||
| 1992 | C | 29.7 | Very low | 29.3 | Very low | 117.8 Ų | 117.8 | 152.8 Ų | 152.8 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 63.3 | 115.8 | 152.8 | -65.5 | 0 | 0 | 0 | 0 | 118.4 | S1990 R1994 | S1990-C1992 PolarHBondContact O-N 3.28Å; C1992-R1994 PolarHBondContact O-N 2.89Å | ||
| 1993 | D | 29.6 | Very low | 29.2 | Very low | 125.8 Ų | 125.8 | 150.1 Ų | 150.1 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | 177.5 | 126.6 | 102.5 | -131.4 | 1.2 | 0 | 0 | 0 | 115.7 | |||||
| 1994 | R | 30 | Very low | 29.5 | Very low | 196.6 Ų | 196.6 | 156.8 Ų | 156.8 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 88.6 | 129.5 | 139.2 | -75 | 159.6 | -172.7 | -175.4 | 1 | 118.3 | C1992 | C1992-R1994 PolarHBondContact O-N 2.89Š| ||
| 1995 | R | 29.6 | Very low | 29.6 | Very low | 234.8 Ų | 234.8 | 159 Ų | 159 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | 108.5 | 131.3 | 117.6 | -75.5 | 169.3 | -177.5 | -167.8 | -0.5 | 114.6 | |||||
| 1996 | G | 29 | Very low | 29.6 | Very low | 73.6 Ų | 73.6 | 163.5 Ų | 163.5 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | 158.3 | 145.8 | 121.1 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 1997 | S | 30.4 | Very low | 29.6 | Very low | 103.4 Ų | 103.4 | 167.7 Ų | 167.7 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | trans | 76.2 | 133 | 150.4 | -152.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1998 | N | 30.8 | Very low | 29.5 | Very low | 127.6 Ų | 127.6 | 171.3 Ų | 171.3 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | 71.3 | 123.8 | 141.1 | -73.4 | -27.1 | 0 | 0 | 0 | 118.8 | ||||
| 1999 | H | 33.1 | Very low | 29.6 | Very low | 151.2 Ų | 151.2 | 173.2 Ų | 173.2 | 70% | 0.7 | 80% | 0.799 | S | S | * | * | 144.2 | 131.9 | 103.5 | -87 | -27.2 | 0 | 0 | 0 | 117.5 | |||||
| 2000 | R | 31.7 | Very low | 29.6 | Very low | 207.4 Ų | 207.4 | 170.8 Ų | 170.8 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | 91.3 | 125.1 | 114.1 | -85.3 | 175 | 177.2 | 178.3 | 0.3 | 119.1 | |||||
| 2001 | K | 29.2 | Very low | 29.8 | Very low | 193.6 Ų | 193.6 | 171 Ų | 171 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | 34.9 | 123.9 | 126.9 | -63.3 | -179.2 | 175.9 | -173.8 | 0 | 118 | |||||
| 2002 | R | 32 | Very low | 29.9 | Very low | 247.6 Ų | 247.6 | 170.9 Ų | 170.9 | 93% | 0.934 | 79% | 0.794 | S | S | * | * | -174.8 | 142.4 | 113.6 | -103.1 | 172.3 | 177.7 | -179 | -0.7 | 112.5 | |||||
| 2003 | S | 28.8 | Very low | 29.8 | Very low | 105.6 Ų | 105.6 | 170.7 Ų | 170.7 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -102.6 | 141.6 | 168.7 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2004 | R | 31.8 | Very low | 29.7 | Very low | 244.4 Ų | 244.4 | 170.9 Ų | 170.9 | 92% | 0.922 | 80% | 0.799 | S | S | * | * | trans | -164.7 | 126.3 | 142.3 | -98 | 167.2 | -177.7 | -172.6 | -0.6 | 109.5 | ||||
| 2005 | Q | 29.4 | Very low | 29.5 | Very low | 166.4 Ų | 166.4 | 169 Ų | 169 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | trans | -103.2 | 137.4 | 141.2 | -90.6 | 177.3 | -30.6 | 0 | 0 | 111.8 | ||||
| 2006 | Y | 28.3 | Very low | 29.3 | Very low | 219.6 Ų | 219.6 | 165.3 Ų | 165.3 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | 159.4 | 135.1 | 155 | -80.4 | -77.2 | 0 | 0 | 0 | 112.2 | ||||
| 2007 | R | 28.1 | Very low | 29.2 | Very low | 223.2 Ų | 223.2 | 167.4 Ų | 167.4 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | -96.4 | 142.2 | 97.4 | -68.1 | -180 | 176.8 | 179.6 | -1.3 | 111.9 | Y2009 | R2007-Y2009 HydrophobicContact CB-CD2 4.05Å; R2007-Y2009 HydrophobicContact CB-CE2 4.16Å; R2007-Y2009 PolarHBondContact O-N 3.48Å | |||
| 2008 | R | 27.6 | Very low | 29 | Very low | 226 Ų | 226 | 169.8 Ų | 169.8 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | -111.8 | 138.8 | 129.2 | -89.1 | -175.4 | 177.2 | -177.3 | -0.9 | 111.6 | |||||
| 2009 | Y | 28.8 | Very low | 28.7 | Very low | 217.2 Ų | 217.2 | 168.8 Ų | 168.8 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | trans | -95.4 | 144.2 | 166.5 | -90.2 | -91.5 | 0 | 0 | 0 | 112.9 | R2007 | R2007-Y2009 HydrophobicContact CB-CD2 4.05Å; R2007-Y2009 HydrophobicContact CB-CE2 4.16Å; R2007-Y2009 PolarHBondContact O-N 3.48Å | ||
| 2010 | Q | 29.1 | Very low | 28.4 | Very low | 181 Ų | 181 | 170.6 Ų | 170.6 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -101.4 | 142.2 | 170.8 | -87 | 176.7 | -51 | 0 | 0 | 109.1 | ||||
| 2011 | P | 30.5 | Very low | 28 | Very low | 110.8 Ų | 110.8 | 169.6 Ų | 169.6 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | -115.6 | 179.7 | 123.4 | 39.9 | -28.7 | 0 | 0 | 0 | 111.1 | |||||
| 2012 | P | 29.6 | Very low | 28 | Very low | 115.8 Ų | 115.8 | 168.7 Ų | 168.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | -104.5 | 150.9 | -102.8 | 26.4 | -14 | 0 | 0 | 0 | 114.4 | V2014 | P2012-V2014 HydrophobicContact CB-CB 3.99Å; P2012-V2014 HydrophobicContact CB-CG2 3.84Å; P2012-V2014 HydrophobicContact CG-CB 4.23Å; P2012-V2014 PolarHBondContact O-N 2.89Å; P2012-V2014 VanDerWaalsContact O-N 3.15Å | |||
| 2013 | S | 28.2 | Very low | 27.8 | Very low | 113.4 Ų | 113.4 | 162.6 Ų | 162.6 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -87.5 | 128.5 | 168.5 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | L2015 | S2013-L2015 PolarHBondContact O-N 3.28Š| ||
| 2014 | V | 27.1 | Very low | 28 | Very low | 129 Ų | 129 | 167 Ų | 167 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | 166.6 | 111.6 | 158.6 | 177 | 0 | 0 | 0 | 0 | 111 | P2012 Q2016 | P2012-V2014 HydrophobicContact CB-CB 3.99Å; P2012-V2014 HydrophobicContact CB-CG2 3.84Å; P2012-V2014 HydrophobicContact CG-CB 4.23Å; P2012-V2014 PolarHBondContact O-N 2.89Å; P2012-V2014 VanDerWaalsContact O-N 3.15Å; V2014-Q2016 PolarHBondContact O-N 3.32Å | ||
| 2015 | L | 25.9 | Very low | 28.3 | Very low | 158 Ų | 158 | 161.3 Ų | 161.3 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -122.4 | 119.2 | 156.6 | -111.4 | 159.1 | 0 | 0 | 0 | 108.6 | S2013 S2017 | S2013-L2015 PolarHBondContact O-N 3.28Å; L2015-S2017 PolarHBondContact O-N 3.28Å | ||
| 2016 | Q | 26.5 | Very low | 29 | Very low | 157 Ų | 157 | 162.1 Ų | 162.1 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -27.8 | 111 | 165.3 | -72.6 | 170.6 | -32.6 | 0 | 0 | 113.8 | V2014 H2018 | V2014-Q2016 PolarHBondContact O-N 3.32Å; Q2016-H2018 VanDerWaalsContact C-N 3.28Å; Q2016-H2018 PolarHBondContact O-N 3.09Å | ||
| 2017 | S | 25.9 | Very low | 30.2 | Very low | 117.8 Ų | 117.8 | 157.8 Ų | 157.8 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -75.1 | 106.2 | 159.6 | 51 | 0 | 0 | 0 | 0 | 109.7 | L2015 S2019 | L2015-S2017 PolarHBondContact O-N 3.28Å; S2017-S2019 PolarHBondContact O-N 3.16Å; S2017-S2019 VanDerWaalsContact O-N 3.09Å | ||
| 2018 | H | 26 | Very low | 31.6 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | trans | -62.6 | 111.7 | 169.3 | -77.7 | -79.7 | 0 | 0 | 0 | 110 | Q2016 Y2020 | Q2016-H2018 VanDerWaalsContact C-N 3.28Å; Q2016-H2018 PolarHBondContact O-N 3.09Å; H2018-Y2020 VanDerWaalsContact C-N 3.28Å; H2018-Y2020 HydrophobicContact CB-CD2 4.4Å; H2018-Y2020 HydrophobicContact CB-CE2 4.29Å; H2018-Y2020 PolarHBondContact O-N 3.16Å; H2018-Y2020 VanDerWaalsContact O-N 3.14Å | ||
| 2019 | S | 25.1 | Very low | 33.6 | Very low | 106.6 Ų | 106.6 | 139.2 Ų | 139.2 | 75% | 0.745 | 70% | 0.696 | S | S | * | * | trans | -53.7 | 94.2 | 152.6 | 57.4 | 0 | 0 | 0 | 0 | 110.1 | S2017 Q2021 | S2017-S2019 PolarHBondContact O-N 3.16Å; S2017-S2019 VanDerWaalsContact O-N 3.09Å; S2019-Q2021 VanDerWaalsContact C-N 3.29Å; S2019-Q2021 PolarHBondContact O-N 3.08Å | ||
| 2020 | Y | 26.5 | Very low | 35.4 | Very low | 188.8 Ų | 188.8 | 128.8 Ų | 128.8 | 74% | 0.74 | 66% | 0.655 | S | S | * | * | trans | -73.7 | 103.4 | 162.5 | -82 | -84.5 | 0 | 0 | 0 | 109.1 | H2018 Y2022 L2174 | H2018-Y2020 VanDerWaalsContact C-N 3.28Å; H2018-Y2020 HydrophobicContact CB-CD2 4.4Å; H2018-Y2020 HydrophobicContact CB-CE2 4.29Å; H2018-Y2020 PolarHBondContact O-N 3.16Å; H2018-Y2020 VanDerWaalsContact O-N 3.14Å; Y2020-Y2022 VanDerWaalsContact C-N 3.3Å; Y2020-Y2022 HydrophobicContact CD1-CE2 4.31Å; Y2020-Y2022 HydrophobicContact CG-CE2 4.36Å; Y2020-Y2022 WeakPolarHBondContact O-CD2 3.24Å; Y2020-Y2022 PolarHBondContact O-N 3.02Å; Y2020-Y2022 VanDerWaalsContact O-N 3.11Å; Y2020-L2174 WeakPolarHBondContact OH-CD2 3.16Å | ||
| 2021 | Q | 24.7 | Very low | 37.5 | Very low | 186.6 Ų | 186.6 | 120.8 Ų | 120.8 | 87% | 0.872 | 62% | 0.62 | S | S | * | * | trans | -74.4 | 88.6 | 169.5 | -175.1 | 172 | -23.7 | 0 | 0 | 107 | S2019 D2023 | S2019-Q2021 VanDerWaalsContact C-N 3.29Å; S2019-Q2021 PolarHBondContact O-N 3.08Å; Q2021-D2023 PolarHBondContact O-N 3.12Å; Q2021-D2023 VanDerWaalsContact O-N 3.13Å | ||
| 2022 | Y | 27.7 | Very low | 39.4 | Very low | 174 Ų | 174 | 117.1 Ų | 117.1 | 68% | 0.682 | 59% | 0.594 | S | S | * | * | trans | -57.8 | 121.1 | 175.9 | -81.4 | -88.7 | 0 | 0 | 0 | 109.6 | Y2020 Y2024 | Y2020-Y2022 VanDerWaalsContact C-N 3.3Å; Y2020-Y2022 HydrophobicContact CD1-CE2 4.31Å; Y2020-Y2022 HydrophobicContact CG-CE2 4.36Å; Y2020-Y2022 WeakPolarHBondContact O-CD2 3.24Å; Y2020-Y2022 PolarHBondContact O-N 3.02Å; Y2020-Y2022 VanDerWaalsContact O-N 3.11Å; Y2022-Y2024 VanDerWaalsContact C-N 3.25Å; Y2022-Y2024 HydrophobicContact CG-CE2 4.41Å; Y2022-Y2024 VanDerWaalsContact O-CD2 3.28Å; Y2022-Y2024 WeakPolarHBondContact O-CD2 3.38Å; Y2022-Y2024 PolarHBondContact O-N 3.21Å; Y2022-Y2024 VanDerWaalsContact O-N 3.16Å | ||
| 2023 | D | 28.9 | Very low | 41.5 | Very low | 120 Ų | 120 | 113.1 Ų | 113.1 | 64% | 0.642 | 57% | 0.566 | S | S | * | * | trans | -74.4 | 108.7 | 173.3 | -146.4 | -18.3 | 0 | 0 | 0 | 108.8 | Q2021 N2025 Y2026 | Q2021-D2023 PolarHBondContact O-N 3.12Å; Q2021-D2023 VanDerWaalsContact O-N 3.13Å; D2023-N2025 PolarHBondContact O-N 3.07Å; D2023-N2025 PolarHBondContact OD1-N 2.98Å; D2023-N2025 PolarHBondContact OD1-ND2 3.2Å; D2023-Y2026 PolarHBondContact O-N 2.9Å | ||
| 2024 | Y | 33.2 | Very low | 43.8 | Very low | 198.8 Ų | 198.8 | 108.1 Ų | 108.1 | 78% | 0.78 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 18.8 | -174.3 | -80.5 | -90.4 | 0 | 0 | 0 | 113.4 | M1761 Y2022 | M1761-Y2024 HydrophobicContact CE-CD1 3.7Å; M1761-Y2024 HydrophobicContact CE-CE1 3.63Å; M1761-Y2024 HydrophobicContact CE-CG 4.46Å; M1761-Y2024 HydrophobicContact SD-CD1 3.93Å; M1761-Y2024 HydrophobicContact SD-CE1 3.57Å; M1761-Y2024 VanDerWaalsContact SD-CE1 3.57Å; Y2022-Y2024 VanDerWaalsContact C-N 3.25Å; Y2022-Y2024 HydrophobicContact CG-CE2 4.41Å; Y2022-Y2024 VanDerWaalsContact O-CD2 3.28Å; Y2022-Y2024 WeakPolarHBondContact O-CD2 3.38Å; Y2022-Y2024 PolarHBondContact O-N 3.21Å; Y2022-Y2024 VanDerWaalsContact O-N 3.16Å |
| 2025 | N | 37.1 | Very low | 46.4 | Very low | 125.2 Ų | 125.2 | 103.3 Ų | 103.3 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 5.6 | -178.1 | -68.2 | -43.8 | 0 | 0 | 0 | 114.3 | D2023 Q2027 | D2023-N2025 PolarHBondContact O-N 3.07Å; D2023-N2025 PolarHBondContact OD1-N 2.98Å; D2023-N2025 PolarHBondContact OD1-ND2 3.2Å; N2025-Q2027 WeakPolarHBondContact O-CG 3.1Å; N2025-Q2027 PolarHBondContact O-N 3.33Å; N2025-Q2027 VanDerWaalsContact O-N 3.12Å |
| 2026 | Y | 44 | Very low | 48.9 | Very low | 182.6 Ų | 182.6 | 98.7 Ų | 98.7 | 72% | 0.716 | 48% | 0.476 | S | S | * | . | trans | -73.2 | 105.6 | 178.6 | -146.5 | -90.4 | 0 | 0 | 0 | 111.6 | D2023 L2028 D2032 | D2023-Y2026 PolarHBondContact O-N 2.9Å; Y2026-L2028 HydrophobicContact CE1-CD1 4.19Å; Y2026-L2028 PolarHBondContact O-N 3.27Å; Y2026-D2032 WeakPolarHBondContact CE1-OD1 3.42Å; Y2026-D2032 PolarHBondContact OH-OD1 3.17Å; Y2026-D2032 VanDerWaalsContact OH-OD1 3.11Å | ||
| 2027 | Q | 52.9 | Low | 51.4 | Low | 128.6 Ų | 128.6 | 91.8 Ų | 91.8 | 60% | 0.601 | 44% | 0.444 | S | S | * | . | trans | -99.3 | 92.8 | 179.5 | -79.5 | -179.1 | 4.6 | 0 | 0 | 110 | P1969 N2025 T2029 | P1969-Q2027 HydrophobicContact CB-CB 3.93Å; P1969-Q2027 HydrophobicContact CB-CG 4.27Å; P1969-Q2027 HydrophobicContact CG-CB 3.84Å; P1969-Q2027 HydrophobicContact CG-CG 4.25Å; N2025-Q2027 WeakPolarHBondContact O-CG 3.1Å; N2025-Q2027 PolarHBondContact O-N 3.33Å; N2025-Q2027 VanDerWaalsContact O-N 3.12Å; Q2027-T2029 WeakPolarHBondContact O-CG2 3.37Å; Q2027-T2029 PolarHBondContact O-N 3.21Å; Q2027-T2029 VanDerWaalsContact O-N 3.16Å | ||
| 2028 | L | 57.8 | Low | 54.1 | Low | 32 Ų | 32 | 86.3 Ų | 86.3 | 17% | 0.168 | 41% | 0.405 | C | S | . | . | trans | -58.1 | 118.9 | 179.5 | -166.1 | 76.9 | 0 | 0 | 0 | 110.8 | W1743 F1930 P1969 L1970 L1975 Y2026 D2032 L2033 | W1743-L2028 HydrophobicContact CE3-CD2 4.39Å; W1743-L2028 HydrophobicContact CH2-CD2 3.48Å; W1743-L2028 VanDerWaalsContact CH2-CD2 3.48Å; W1743-L2028 HydrophobicContact CZ2-CD2 3.68Å; W1743-L2028 HydrophobicContact CZ3-CD2 3.87Å; F1930-L2028 HydrophobicContact CE2-CD1 4.26Å; F1930-L2028 HydrophobicContact CE2-CD2 4.47Å; F1930-L2028 HydrophobicContact CZ-CD2 4.1Å; P1969-L2028 WeakPolarHBondContact CA-O 3.2Å; L1970-L2028 WeakPolarHBondContact CB-O 3.36Å; L1970-L2028 HydrophobicContact CD1-CB 4.29Å; L1970-L2028 HydrophobicContact CD1-CD2 4.05Å; L1970-L2028 HydrophobicContact CD1-CG 4.22Å; L1970-L2028 WeakPolarHBondContact CD1-O 3.37Å; L1970-L2028 VanDerWaalsContact CG-O 3.28Å; L1970-L2028 WeakPolarHBondContact CG-O 3.26Å; L1970-L2028 PolarHBondContact N-O 3.16Å; L1975-L2028 HydrophobicContact CD2-CB 3.74Å; L1975-L2028 HydrophobicContact CD2-CD2 4.23Å; Y2026-L2028 HydrophobicContact CE1-CD1 4.19Å; Y2026-L2028 PolarHBondContact O-N 3.27Å; L2028-D2032 HydrophobicContact CD1-CB 3.53Å; L2028-D2032 VanDerWaalsContact CD1-CB 3.47Å; L2028-D2032 HydrophobicContact CG-CB 4.12Å; L2028-L2033 HydrophobicContact CD1-CD2 4.26Å; L2028-L2033 HydrophobicContact CD2-CD2 3.82Å; L2028-L2033 HydrophobicContact CG-CD2 4.07Å | ||
| 2029 | T | 69.3 | Low | 56.8 | Low | 26.6 Ų | 26.6 | 79.1 Ų | 79.1 | 16% | 0.163 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -92.9 | 168.7 | 175.6 | 66.8 | 0 | 0 | 0 | 0 | 111.3 | L1970 Q2027 A2031 D2032 L2033 | L1970-T2029 WeakPolarHBondContact CD1-O 3.35Å; Q2027-T2029 WeakPolarHBondContact O-CG2 3.37Å; Q2027-T2029 PolarHBondContact O-N 3.21Å; Q2027-T2029 VanDerWaalsContact O-N 3.16Å; T2029-A2031 PolarHBondContact O-N 3.13Å; T2029-A2031 PolarHBondContact OG1-N 3.26Å; T2029-D2032 VanDerWaalsContact CB-OD2 3.31Å; T2029-D2032 WeakPolarHBondContact CB-OD2 3.4Å; T2029-D2032 WeakPolarHBondContact CG2-OD2 3.31Å; T2029-D2032 PolarHBondContact N-OD2 3.17Å; T2029-D2032 PolarHBondContact O-N 3.17Å; T2029-D2032 VanDerWaalsContact OG1-CG 3.28Å; T2029-D2032 PolarHBondContact OG1-N 2.95Å; T2029-D2032 VanDerWaalsContact OG1-N 3.13Å; T2029-D2032 PolarHBondContact OG1-OD2 3.3Å; T2029-L2033 WeakPolarHBondContact O-CG 3.41Å; T2029-L2033 PolarHBondContact O-N 3.18Å; T2029-L2033 VanDerWaalsContact O-N 3.14Å |
| 2030 | G | 67.6 | Low | 59.4 | Low | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.6 | -27.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1965 L2034 | F1965-G2030 VanDerWaalsContact CZ-CA 3.43Å; F1965-G2030 VanDerWaalsContact O-CA 3.28Å; F1965-G2030 WeakPolarHBondContact O-CA 3.36Å; F1965-G2030 PolarHBondContact O-N 3.11Å; F1965-G2030 VanDerWaalsContact O-N 3.14Å; G2030-L2034 WeakPolarHBondContact O-CD1 3.46Å; G2030-L2034 VanDerWaalsContact O-CG 3.28Å; G2030-L2034 WeakPolarHBondContact O-CG 3.39Å; G2030-L2034 PolarHBondContact O-N 2.88Å; G2030-L2034 VanDerWaalsContact O-N 3.12Å |
| 2031 | A | 72.4 | Confident | 61.7 | Low | 11.2 Ų | 11.2 | 70.7 Ų | 70.7 | 9% | 0.093 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.3 | -47.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1966 T2029 L2033 L2034 Q2035 W2078 | L1966-A2031 HydrophobicContact CD2-CB 4.44Å; L1966-A2031 WeakPolarHBondContact O-CB 3.42Å; L1966-A2031 PolarHBondContact O-N 2.86Å; T2029-A2031 PolarHBondContact O-N 3.13Å; T2029-A2031 PolarHBondContact OG1-N 3.26Å; A2031-L2033 VanDerWaalsContact C-N 3.32Å; A2031-L2033 PolarHBondContact O-N 3.36Å; A2031-L2034 PolarHBondContact O-N 3.11Å; A2031-L2034 VanDerWaalsContact O-N 3.13Å; A2031-Q2035 WeakPolarHBondContact O-CB 3.43Å; A2031-Q2035 PolarHBondContact O-N 3.03Å; A2031-W2078 HydrophobicContact CB-CZ2 4.33Å; A2031-W2078 WeakPolarHBondContact O-CZ2 3.04Å |
| 2032 | D | 71.6 | Confident | 64.1 | Low | 34.2 Ų | 34.2 | 64 Ų | 64 | 18% | 0.183 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 176.7 | -58.3 | -66.7 | 0 | 0 | 0 | 111.5 | Y2026 L2028 T2029 L2034 Q2035 D2036 | Y2026-D2032 WeakPolarHBondContact CE1-OD1 3.42Å; Y2026-D2032 PolarHBondContact OH-OD1 3.17Å; Y2026-D2032 VanDerWaalsContact OH-OD1 3.11Å; L2028-D2032 HydrophobicContact CD1-CB 3.53Å; L2028-D2032 VanDerWaalsContact CD1-CB 3.47Å; L2028-D2032 HydrophobicContact CG-CB 4.12Å; T2029-D2032 VanDerWaalsContact CB-OD2 3.31Å; T2029-D2032 WeakPolarHBondContact CB-OD2 3.4Å; T2029-D2032 WeakPolarHBondContact CG2-OD2 3.31Å; T2029-D2032 PolarHBondContact N-OD2 3.17Å; T2029-D2032 PolarHBondContact O-N 3.17Å; T2029-D2032 VanDerWaalsContact OG1-CG 3.28Å; T2029-D2032 PolarHBondContact OG1-N 2.95Å; T2029-D2032 VanDerWaalsContact OG1-N 3.13Å; T2029-D2032 PolarHBondContact OG1-OD2 3.3Å; D2032-L2034 VanDerWaalsContact C-N 3.33Å; D2032-L2034 PolarHBondContact O-N 3.11Å; D2032-Q2035 WeakPolarHBondContact O-CB 3.37Å; D2032-Q2035 PolarHBondContact O-N 3.2Å; D2032-D2036 WeakPolarHBondContact O-CB 3.45Å; D2032-D2036 PolarHBondContact O-N 2.99Å |
| 2033 | L | 73.3 | Confident | 66.4 | Low | 32 Ų | 32 | 59.7 Ų | 59.7 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.5 | -166.8 | 77.9 | 0 | 0 | 0 | 112.2 | F1739 W1743 F1965 L1970 L2028 T2029 A2031 Q2035 D2036 L2037 | F1739-L2033 HydrophobicContact CD1-CB 4.32Å; F1739-L2033 HydrophobicContact CD1-CD1 3.63Å; F1739-L2033 HydrophobicContact CE1-CB 3.55Å; F1739-L2033 HydrophobicContact CE1-CD1 3.72Å; F1739-L2033 HydrophobicContact CE1-CG 4.23Å; F1739-L2033 HydrophobicContact CZ-CB 3.89Å; W1743-L2033 HydrophobicContact CB-CD2 4.19Å; W1743-L2033 HydrophobicContact CD2-CD2 3.55Å; W1743-L2033 HydrophobicContact CE3-CD2 4.34Å; W1743-L2033 HydrophobicContact CG-CD2 3.46Å; W1743-L2033 VanDerWaalsContact CG-CD2 3.46Å; W1743-L2033 HydrophobicContact CZ2-CD2 4.29Å; W1743-L2033 VanDerWaalsContact NE1-CD2 3.33Å; F1965-L2033 HydrophobicContact CE2-CD1 3.95Å; F1965-L2033 HydrophobicContact CZ-CB 4.48Å; F1965-L2033 HydrophobicContact CZ-CD1 3.83Å; F1965-L2033 HydrophobicContact CZ-CD2 4.38Å; L1970-L2033 HydrophobicContact CD1-CB 4.16Å; L1970-L2033 HydrophobicContact CD1-CD1 3.65Å; L1970-L2033 HydrophobicContact CD1-CD2 4.11Å; L1970-L2033 HydrophobicContact CD1-CG 4.15Å; L2028-L2033 HydrophobicContact CD1-CD2 4.26Å; L2028-L2033 HydrophobicContact CD2-CD2 3.82Å; L2028-L2033 HydrophobicContact CG-CD2 4.07Å; T2029-L2033 WeakPolarHBondContact O-CG 3.41Å; T2029-L2033 PolarHBondContact O-N 3.18Å; T2029-L2033 VanDerWaalsContact O-N 3.14Å; A2031-L2033 VanDerWaalsContact C-N 3.32Å; A2031-L2033 PolarHBondContact O-N 3.36Å; L2033-Q2035 VanDerWaalsContact C-N 3.31Å; L2033-Q2035 PolarHBondContact O-N 2.9Å; L2033-D2036 WeakPolarHBondContact O-CB 3.24Å; L2033-D2036 PolarHBondContact O-N 3.1Å; L2033-L2037 HydrophobicContact CD1-CD1 4.12Å; L2033-L2037 HydrophobicContact CD1-CG 4.32Å; L2033-L2037 HydrophobicContact CG-CD1 4.04Å; L2033-L2037 WeakPolarHBondContact O-CB 3.37Å; L2033-L2037 WeakPolarHBondContact O-CD1 3.5Å; L2033-L2037 VanDerWaalsContact O-CG 3.24Å; L2033-L2037 WeakPolarHBondContact O-CG 3.36Å; L2033-L2037 PolarHBondContact O-N 3.06Å; L2033-L2037 VanDerWaalsContact O-N 3.15Å |
| 2034 | L | 77.5 | Confident | 68.3 | Low | 8.6 Ų | 8.6 | 58.4 Ų | 58.4 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.6 | -35 | 177.5 | -68.2 | 173.9 | 0 | 0 | 0 | 112 | F1739 F1962 F1965 L1966 G2030 A2031 D2032 D2036 L2037 L2038 T2049 F2052 L2053 W2078 | F1739-L2034 HydrophobicContact CE2-CD2 3.6Å; F1739-L2034 HydrophobicContact CE2-CG 4.35Å; F1739-L2034 HydrophobicContact CZ-CD2 3.73Å; F1739-L2034 HydrophobicContact CZ-CG 4.36Å; F1962-L2034 HydrophobicContact CE2-CD1 4.47Å; F1962-L2034 HydrophobicContact CZ-CD1 4.39Å; F1965-L2034 HydrophobicContact CE1-CD1 4.07Å; F1965-L2034 HydrophobicContact CE1-CG 4.28Å; L1966-L2034 HydrophobicContact CD2-CD1 3.71Å; G2030-L2034 WeakPolarHBondContact O-CD1 3.46Å; G2030-L2034 VanDerWaalsContact O-CG 3.28Å; G2030-L2034 WeakPolarHBondContact O-CG 3.39Å; G2030-L2034 PolarHBondContact O-N 2.88Å; G2030-L2034 VanDerWaalsContact O-N 3.12Å; A2031-L2034 PolarHBondContact O-N 3.11Å; A2031-L2034 VanDerWaalsContact O-N 3.13Å; D2032-L2034 VanDerWaalsContact C-N 3.33Å; D2032-L2034 PolarHBondContact O-N 3.11Å; L2034-D2036 VanDerWaalsContact C-N 3.32Å; L2034-L2037 PolarHBondContact O-N 3.33Å; L2034-L2038 VanDerWaalsContact O-CB 3.3Å; L2034-L2038 WeakPolarHBondContact O-CB 3.26Å; L2034-L2038 VanDerWaalsContact O-CG 3.3Å; L2034-L2038 WeakPolarHBondContact O-CG 3.18Å; L2034-L2038 PolarHBondContact O-N 3.32Å; L2034-T2049 HydrophobicContact CD2-CG2 4.34Å; L2034-F2052 HydrophobicContact CD2-CD1 4.15Å; L2034-F2052 HydrophobicContact CD2-CE1 3.72Å; L2034-L2053 HydrophobicContact CB-CD1 4.38Å; L2034-L2053 HydrophobicContact CD1-CD1 4.33Å; L2034-L2053 HydrophobicContact CD1-CD2 3.74Å; L2034-L2053 HydrophobicContact CD2-CD1 4.12Å; L2034-L2053 HydrophobicContact CD2-CD2 3.82Å; L2034-L2053 HydrophobicContact CD2-CG 4.19Å; L2034-L2053 HydrophobicContact CG-CD1 4.4Å; L2034-L2053 HydrophobicContact CG-CD2 4.32Å; L2034-W2078 HydrophobicContact CB-CH2 4.3Å |
| 2035 | Q | 81.3 | Confident | 70.3 | Confident | 28.6 Ų | 28.6 | 49.6 Ų | 49.6 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 173.9 | -173.9 | 176.2 | -11.1 | 0 | 0 | 111.4 | A2031 D2032 L2033 L2037 L2038 F2039 W2078 Y2082 | A2031-Q2035 WeakPolarHBondContact O-CB 3.43Å; A2031-Q2035 PolarHBondContact O-N 3.03Å; D2032-Q2035 WeakPolarHBondContact O-CB 3.37Å; D2032-Q2035 PolarHBondContact O-N 3.2Å; L2033-Q2035 VanDerWaalsContact C-N 3.31Å; L2033-Q2035 PolarHBondContact O-N 2.9Å; Q2035-L2037 VanDerWaalsContact C-N 3.3Å; Q2035-L2037 PolarHBondContact O-N 3.17Å; Q2035-L2038 PolarHBondContact O-N 2.9Å; Q2035-F2039 VanDerWaalsContact O-CD2 3.28Å; Q2035-F2039 WeakPolarHBondContact O-CD2 3.35Å; Q2035-F2039 PolarHBondContact O-N 3.2Å; Q2035-F2039 VanDerWaalsContact O-N 3.11Å; Q2035-W2078 HydrophobicContact CB-CD2 4.41Å; Q2035-W2078 HydrophobicContact CB-CH2 3.95Å; Q2035-W2078 HydrophobicContact CB-CZ2 3.78Å; Q2035-W2078 HydrophobicContact CB-CZ3 4.28Å; Q2035-W2078 HydrophobicContact CG-CD2 4.13Å; Q2035-W2078 HydrophobicContact CG-CE3 4.32Å; Q2035-W2078 HydrophobicContact CG-CH2 4.38Å; Q2035-W2078 HydrophobicContact CG-CZ2 4.22Å; Q2035-W2078 HydrophobicContact CG-CZ3 4.47Å; Q2035-W2078 VanDerWaalsContact OE1-NE1 3.11Å; Q2035-Y2082 HydrophobicContact CG-CD1 3.73Å; Q2035-Y2082 HydrophobicContact CG-CD2 4.45Å; Q2035-Y2082 HydrophobicContact CG-CE1 3.35Å; Q2035-Y2082 VanDerWaalsContact CG-CE1 3.5Å; Q2035-Y2082 HydrophobicContact CG-CE2 4.28Å; Q2035-Y2082 HydrophobicContact CG-CG 4.36Å; Q2035-Y2082 VanDerWaalsContact CG-CZ 3.49Å; Q2035-Y2082 VanDerWaalsContact NE2-CD1 3.27Å |
| 2036 | D | 77 | Confident | 72.3 | Confident | 59.8 Ų | 59.8 | 45.1 Ų | 45.1 | 32% | 0.32 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.9 | -35.3 | 174.7 | -91.4 | -20.2 | 0 | 0 | 0 | 112.8 | W1743 R1746 Y1747 F1930 R1934 D2032 L2033 L2034 F2039 S2040 Y2082 K2086 | W1743-D2036 PolarHBondContact NE1-OD2 3Å; R1746-D2036 VanDerWaalsContact CZ-O 3.3Å; R1746-D2036 PolarHBondContact NH1-O 2.85Å; R1746-D2036 PolarHBondContact NH2-O 3.22Å; Y1747-D2036 WeakPolarHBondContact CE2-OD2 3.2Å; Y1747-D2036 PolarHBondContact OH-OD1 3.26Å; Y1747-D2036 PolarHBondContact OH-OD2 3.12Å; F1930-D2036 VanDerWaalsContact CZ-OD2 3.24Å; F1930-D2036 WeakPolarHBondContact CZ-OD2 3.48Å; R1934-D2036 IonicContact CZ-OD1 3.56Å; R1934-D2036 VanDerWaalsContact CZ-OD1 3.27Å; R1934-D2036 IonicContact CZ-OD2 2.96Å; R1934-D2036 IonicContact NH1-OD1 3.33Å; R1934-D2036 PolarHBondContact NH1-OD1 3.28Å; R1934-D2036 IonicContact NH1-OD2 2.67Å; R1934-D2036 PolarHBondContact NH1-OD2 3.22Å; R1934-D2036 IonicContact NH2-OD1 3.98Å; R1934-D2036 PolarHBondContact NH2-OD1 3.3Å; D2032-D2036 WeakPolarHBondContact O-CB 3.45Å; D2032-D2036 PolarHBondContact O-N 2.99Å; L2033-D2036 WeakPolarHBondContact O-CB 3.24Å; L2033-D2036 PolarHBondContact O-N 3.1Å; L2034-D2036 VanDerWaalsContact C-N 3.32Å; D2036-F2039 CarbonylContact O-C 3.49Å; D2036-S2040 WeakPolarHBondContact O-CA 3.34Å; D2036-S2040 WeakPolarHBondContact O-CB 3.4Å; D2036-S2040 PolarHBondContact O-N 3.05Å; D2036-Y2082 PolarHBondContact OD1-OH 3.21Å; D2036-Y2082 VanDerWaalsContact OD1-OH 3.09Å; D2036-K2086 IonicContact OD1-NZ 3.7Å |
| 2037 | L | 79.6 | Confident | 74 | Confident | 13.8 Ų | 13.8 | 38.6 Ų | 38.6 | 7% | 0.072 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -76.5 | -42 | 179.2 | -71.5 | 172.8 | 0 | 0 | 0 | 113 | F1739 F1933 I1943 L1947 L2033 L2034 Q2035 F2039 S2040 I2045 T2049 | F1739-L2037 HydrophobicContact CE1-CD1 4.05Å; F1739-L2037 HydrophobicContact CE2-CD1 4.46Å; F1739-L2037 HydrophobicContact CZ-CD1 3.55Å; F1933-L2037 HydrophobicContact CE1-CD2 3.8Å; F1933-L2037 HydrophobicContact CZ-CD2 4.33Å; I1943-L2037 HydrophobicContact CD1-CD2 4.45Å; I1943-L2037 HydrophobicContact CG2-CD2 3.81Å; I1943-L2037 VanDerWaalsContact CG2-CD2 3.48Å; L1947-L2037 HydrophobicContact CD1-CD1 3.87Å; L1947-L2037 HydrophobicContact CD1-CD2 3.49Å; L1947-L2037 VanDerWaalsContact CD1-CD2 3.49Å; L1947-L2037 HydrophobicContact CD1-CG 4.35Å; L1947-L2037 HydrophobicContact CD2-CD1 4.05Å; L1947-L2037 HydrophobicContact CG-CD1 4.39Å; L2033-L2037 HydrophobicContact CD1-CD1 4.12Å; L2033-L2037 HydrophobicContact CD1-CG 4.32Å; L2033-L2037 HydrophobicContact CG-CD1 4.04Å; L2033-L2037 WeakPolarHBondContact O-CB 3.37Å; L2033-L2037 WeakPolarHBondContact O-CD1 3.5Å; L2033-L2037 VanDerWaalsContact O-CG 3.24Å; L2033-L2037 WeakPolarHBondContact O-CG 3.36Å; L2033-L2037 PolarHBondContact O-N 3.06Å; L2033-L2037 VanDerWaalsContact O-N 3.15Å; L2034-L2037 PolarHBondContact O-N 3.33Å; Q2035-L2037 VanDerWaalsContact C-N 3.3Å; Q2035-L2037 PolarHBondContact O-N 3.17Å; L2037-F2039 VanDerWaalsContact C-N 3.28Å; L2037-F2039 PolarHBondContact O-N 3.14Å; L2037-S2040 VanDerWaalsContact O-CB 3.31Å; L2037-S2040 WeakPolarHBondContact O-CB 3.35Å; L2037-S2040 PolarHBondContact O-N 3.17Å; L2037-I2045 HydrophobicContact CB-CG2 4.38Å; L2037-I2045 HydrophobicContact CD2-CG2 3.65Å; L2037-I2045 HydrophobicContact CG-CG2 4.47Å; L2037-T2049 HydrophobicContact CB-CG2 3.76Å; L2037-T2049 HydrophobicContact CD1-CG2 4.35Å |
| 2038 | L | 82.3 | Confident | 75 | Confident | 0.4 Ų | 0.4 | 33.5 Ų | 33.5 | 0% | 0.002 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -27.6 | 176.5 | -78 | 172.3 | 0 | 0 | 0 | 112.9 | L2034 Q2035 R2046 T2049 R2050 L2053 M2075 W2078 L2096 | L2034-L2038 VanDerWaalsContact O-CB 3.3Å; L2034-L2038 WeakPolarHBondContact O-CB 3.26Å; L2034-L2038 VanDerWaalsContact O-CG 3.3Å; L2034-L2038 WeakPolarHBondContact O-CG 3.18Å; L2034-L2038 PolarHBondContact O-N 3.32Å; Q2035-L2038 PolarHBondContact O-N 2.9Å; L2038-R2046 WeakPolarHBondContact O-CD 3.35Å; L2038-R2046 VanDerWaalsContact O-CG 3.28Å; L2038-R2046 WeakPolarHBondContact O-CG 3.36Å; L2038-T2049 HydrophobicContact CD2-CG2 3.88Å; L2038-T2049 HydrophobicContact CG-CG2 3.85Å; L2038-R2050 HydrophobicContact CD2-CB 4.49Å; L2038-L2053 HydrophobicContact CD1-CD1 3.76Å; L2038-L2053 HydrophobicContact CD2-CD1 4.24Å; L2038-L2053 HydrophobicContact CG-CD1 4.11Å; L2038-M2075 HydrophobicContact CD1-CE 4.44Å; L2038-W2078 HydrophobicContact CD1-CH2 4.41Å; L2038-W2078 HydrophobicContact CD1-CZ3 3.98Å; L2038-L2096 HydrophobicContact CD1-CD2 3.9Å; L2038-L2096 HydrophobicContact CD2-CD2 3.92Å |
| 2039 | F | 83.7 | Confident | 76.1 | Confident | 2.8 Ų | 2.8 | 32.1 Ų | 32.1 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 22.7 | 177.5 | -61.5 | -102.1 | 0 | 0 | 0 | 112.4 | Q2035 D2036 L2037 W2078 Y2082 V2083 K2086 Q2089 Y2093 | Q2035-F2039 VanDerWaalsContact O-CD2 3.28Å; Q2035-F2039 WeakPolarHBondContact O-CD2 3.35Å; Q2035-F2039 PolarHBondContact O-N 3.2Å; Q2035-F2039 VanDerWaalsContact O-N 3.11Å; D2036-F2039 CarbonylContact O-C 3.49Å; L2037-F2039 VanDerWaalsContact C-N 3.28Å; L2037-F2039 PolarHBondContact O-N 3.14Å; F2039-W2078 HydrophobicContact CE2-CE3 4.37Å; F2039-Y2082 HydrophobicContact CB-CE1 3.92Å; F2039-Y2082 HydrophobicContact CD1-CD1 4.37Å; F2039-Y2082 HydrophobicContact CD1-CE1 4.14Å; F2039-Y2082 AromaticContact CD2-CD1 3.87Å; F2039-Y2082 HydrophobicContact CD2-CD1 4.05Å; F2039-Y2082 AromaticContact CD2-CE1 3.54Å; F2039-Y2082 HydrophobicContact CD2-CE1 3.54Å; F2039-Y2082 VanDerWaalsContact CD2-CE1 3.48Å; F2039-Y2082 HydrophobicContact CE1-CD1 4.32Å; F2039-Y2082 HydrophobicContact CE1-CE1 4.45Å; F2039-Y2082 AromaticContact CE2-CD1 3.91Å; F2039-Y2082 HydrophobicContact CE2-CD1 4Å; F2039-Y2082 AromaticContact CE2-CE1 3.96Å; F2039-Y2082 HydrophobicContact CE2-CE1 3.98Å; F2039-Y2082 HydrophobicContact CG-CD1 4.25Å; F2039-Y2082 AromaticContact CG-CE1 3.61Å; F2039-Y2082 HydrophobicContact CG-CE1 3.61Å; F2039-Y2082 HydrophobicContact CZ-CD1 4.16Å; F2039-Y2082 HydrophobicContact CZ-CE1 4.42Å; F2039-V2083 HydrophobicContact CE1-CG2 4.18Å; F2039-V2083 HydrophobicContact CZ-CG2 3.88Å; F2039-K2086 HydrophobicContact CB-CB 4.34Å; F2039-K2086 HydrophobicContact CB-CD 3.43Å; F2039-K2086 VanDerWaalsContact CB-CD 3.43Å; F2039-K2086 HydrophobicContact CB-CG 4.4Å; F2039-K2086 HydrophobicContact CD1-CB 3.66Å; F2039-K2086 HydrophobicContact CD1-CD 4.36Å; F2039-K2086 HydrophobicContact CD1-CG 4.43Å; F2039-K2086 HydrophobicContact CE1-CB 4.37Å; F2039-K2086 HydrophobicContact CG-CB 4.38Å; F2039-K2086 HydrophobicContact CG-CD 4.24Å; F2039-K2086 PolarHBondContact O-NZ 3.27Å; F2039-Q2089 HydrophobicContact CB-CB 4.38Å; F2039-Q2089 HydrophobicContact CD1-CB 4.38Å; F2039-Q2089 PolarHBondContact O-OE1 3.11Å; F2039-Y2093 HydrophobicContact CE1-CD1 4.5Å; F2039-Y2093 HydrophobicContact CE1-CG 4.37Å; F2039-Y2093 AromaticContact CE2-CD2 3.8Å; F2039-Y2093 HydrophobicContact CE2-CD2 3.85Å; F2039-Y2093 AromaticContact CE2-CG 3.89Å; F2039-Y2093 HydrophobicContact CE2-CG 3.95Å; F2039-Y2093 VanDerWaalsContact CZ-CB 3.49Å; F2039-Y2093 AromaticContact CZ-CD1 3.87Å; F2039-Y2093 HydrophobicContact CZ-CD1 3.94Å; F2039-Y2093 AromaticContact CZ-CD2 3.76Å; F2039-Y2093 HydrophobicContact CZ-CD2 3.76Å; F2039-Y2093 HydrophobicContact CZ-CE1 4.45Å; F2039-Y2093 HydrophobicContact CZ-CE2 4.35Å; F2039-Y2093 AromaticContact CZ-CG 3.49Å; F2039-Y2093 HydrophobicContact CZ-CG 3.49Å; F2039-Y2093 VanDerWaalsContact CZ-CG 3.43Å |
| 2040 | S | 79.2 | Confident | 76.8 | Confident | 16.8 Ų | 16.8 | 32.4 Ų | 32.4 | 12% | 0.117 | 17% | 0.173 | C | C | . | . | trans | -62.5 | 144.9 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | D2036 L2037 S2042 R2046 | D2036-S2040 WeakPolarHBondContact O-CA 3.34Å; D2036-S2040 WeakPolarHBondContact O-CB 3.4Å; D2036-S2040 PolarHBondContact O-N 3.05Å; L2037-S2040 VanDerWaalsContact O-CB 3.31Å; L2037-S2040 WeakPolarHBondContact O-CB 3.35Å; L2037-S2040 PolarHBondContact O-N 3.17Å; S2040-S2042 PolarHBondContact O-N 3.25Å; S2040-S2042 PolarHBondContact OG-N 3.1Å; S2040-R2046 VanDerWaalsContact O-CD 3.23Å; S2040-R2046 WeakPolarHBondContact O-CD 3.24Å; S2040-R2046 VanDerWaalsContact O-CG 3.31Å; S2040-R2046 WeakPolarHBondContact O-CG 3.31Å; S2040-R2046 PolarHBondContact O-NH1 3.1Å | ||
| 2041 | D | 75.2 | Confident | 77.3 | Confident | 102.4 Ų | 102.4 | 37.1 Ų | 37.1 | 55% | 0.548 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -65.1 | -26.4 | 178.1 | -62 | -51.8 | 0 | 0 | 0 | 112.6 | L2043 R2046 K2086 Q2089 | D2041-L2043 PolarHBondContact O-N 2.97Å; D2041-R2046 VanDerWaalsContact C-NH1 3.32Å; D2041-R2046 PolarHBondContact O-NH1 3.1Å; D2041-K2086 IonicContact OD1-NZ 3.01Å; D2041-K2086 PolarHBondContact OD1-NZ 2.88Å; D2041-K2086 IonicContact OD2-NZ 3.7Å; D2041-Q2089 PolarHBondContact OD1-NE2 3.29Å |
| 2042 | S | 73.9 | Confident | 77.6 | Confident | 45.2 Ų | 45.2 | 37.1 Ų | 37.1 | 32% | 0.316 | 19% | 0.19 | S | C | . | . | trans | -76 | 113.1 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 112.4 | S2040 I2044 I2045 R2046 | S2040-S2042 PolarHBondContact O-N 3.25Å; S2040-S2042 PolarHBondContact OG-N 3.1Å; S2042-I2044 PolarHBondContact O-N 2.96Å; S2042-I2044 PolarHBondContact OG-N 3.35Å; S2042-I2045 PolarHBondContact O-N 3.16Å; S2042-I2045 VanDerWaalsContact O-N 3.1Å; S2042-R2046 PolarHBondContact O-N 3.2Å; S2042-R2046 VanDerWaalsContact O-N 3.11Å | ||
| 2043 | L | 75.9 | Confident | 78 | Confident | 84.2 Ų | 84.2 | 35.9 Ų | 35.9 | 44% | 0.441 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55.8 | -36 | 175.7 | 179.4 | 63.8 | 0 | 0 | 0 | 112.7 | D2041 R2046 I2047 E2092 | D2041-L2043 PolarHBondContact O-N 2.97Å; L2043-R2046 PolarHBondContact O-N 3.02Å; L2043-I2047 HydrophobicContact CD1-CD1 3.88Å; L2043-I2047 HydrophobicContact CD1-CG1 4.08Å; L2043-I2047 HydrophobicContact CD2-CD1 4.34Å; L2043-I2047 HydrophobicContact CG-CD1 3.74Å; L2043-I2047 HydrophobicContact CG-CG1 4.33Å; L2043-I2047 WeakPolarHBondContact O-CB 3.41Å; L2043-I2047 VanDerWaalsContact O-CG1 3.3Å; L2043-I2047 WeakPolarHBondContact O-CG1 3.3Å; L2043-I2047 PolarHBondContact O-N 3.23Å; L2043-E2092 HydrophobicContact CD1-CG 4.46Å |
| 2044 | I | 70.2 | Confident | 78.4 | Confident | 93.6 Ų | 93.6 | 36.1 Ų | 36.1 | 48% | 0.48 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 179.1 | -59.2 | 174.5 | 0 | 0 | 0 | 110.3 | V1694 F1933 I1944 S2042 R2046 I2047 S2048 | V1694-I2044 HydrophobicContact CG1-CG2 4.47Å; V1694-I2044 HydrophobicContact CG2-CG2 4.08Å; F1933-I2044 HydrophobicContact CE2-CD1 4.02Å; F1933-I2044 HydrophobicContact CZ-CD1 3.86Å; F1933-I2044 HydrophobicContact CZ-CG2 4Å; I1944-I2044 HydrophobicContact CD1-CG2 4.06Å; S2042-I2044 PolarHBondContact O-N 2.96Å; S2042-I2044 PolarHBondContact OG-N 3.35Å; I2044-R2046 PolarHBondContact O-N 2.96Å; I2044-I2047 PolarHBondContact O-N 2.89Å; I2044-S2048 VanDerWaalsContact O-CB 3.26Å; I2044-S2048 WeakPolarHBondContact O-CB 3.31Å; I2044-S2048 PolarHBondContact O-N 3.16Å; I2044-S2048 PolarHBondContact O-OG 3.25Å; I2044-S2048 VanDerWaalsContact O-OG 3.12Å |
| 2045 | I | 73.9 | Confident | 78.3 | Confident | 13.2 Ų | 13.2 | 36.7 Ų | 36.7 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -45.8 | 176.4 | -65.3 | 175.4 | 0 | 0 | 0 | 109.9 | F1933 I1943 I1944 L2037 S2042 I2047 S2048 T2049 | F1933-I2045 HydrophobicContact CD1-CD1 4.21Å; I1943-I2045 HydrophobicContact CD1-CD1 3.93Å; I1943-I2045 VanDerWaalsContact CD1-CD1 3.48Å; I1943-I2045 HydrophobicContact CD1-CG1 4.11Å; I1943-I2045 HydrophobicContact CG2-CG2 4.37Å; I1944-I2045 HydrophobicContact CD1-CD1 4.24Å; I1944-I2045 HydrophobicContact CD1-CG1 3.63Å; I1944-I2045 HydrophobicContact CG1-CD1 4.29Å; I1944-I2045 HydrophobicContact CG1-CG1 3.75Å; L2037-I2045 HydrophobicContact CB-CG2 4.38Å; L2037-I2045 HydrophobicContact CD2-CG2 3.65Å; L2037-I2045 HydrophobicContact CG-CG2 4.47Å; S2042-I2045 PolarHBondContact O-N 3.16Å; S2042-I2045 VanDerWaalsContact O-N 3.1Å; I2045-I2047 PolarHBondContact O-N 3.09Å; I2045-S2048 PolarHBondContact O-N 3.26Å; I2045-S2048 VanDerWaalsContact O-N 3.11Å; I2045-T2049 VanDerWaalsContact O-CB 3.3Å; I2045-T2049 WeakPolarHBondContact O-CB 3.29Å; I2045-T2049 PolarHBondContact O-N 3.09Å; I2045-T2049 PolarHBondContact O-OG1 3.22Å; I2045-T2049 VanDerWaalsContact O-OG1 3.1Å |
| 2046 | R | 80.6 | Confident | 78.1 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -48.4 | 178 | -60.5 | -162.8 | -62.9 | -87.2 | 8.6 | 112.4 | L2038 S2040 D2041 S2042 L2043 I2044 S2048 T2049 R2050 Q2089 E2092 | L2038-R2046 WeakPolarHBondContact O-CD 3.35Å; L2038-R2046 VanDerWaalsContact O-CG 3.28Å; L2038-R2046 WeakPolarHBondContact O-CG 3.36Å; S2040-R2046 VanDerWaalsContact O-CD 3.23Å; S2040-R2046 WeakPolarHBondContact O-CD 3.24Å; S2040-R2046 VanDerWaalsContact O-CG 3.31Å; S2040-R2046 WeakPolarHBondContact O-CG 3.31Å; S2040-R2046 PolarHBondContact O-NH1 3.1Å; D2041-R2046 VanDerWaalsContact C-NH1 3.32Å; D2041-R2046 PolarHBondContact O-NH1 3.1Å; S2042-R2046 PolarHBondContact O-N 3.2Å; S2042-R2046 VanDerWaalsContact O-N 3.11Å; L2043-R2046 PolarHBondContact O-N 3.02Å; I2044-R2046 PolarHBondContact O-N 2.96Å; R2046-S2048 PolarHBondContact O-N 2.88Å; R2046-T2049 PolarHBondContact O-N 2.88Å; R2046-R2050 WeakPolarHBondContact O-CB 3.23Å; R2046-R2050 PolarHBondContact O-N 3.29Å; R2046-Q2089 VanDerWaalsContact CD-O 3.29Å; R2046-Q2089 WeakPolarHBondContact CD-O 3.37Å; R2046-Q2089 PolarHBondContact NE-O 3.22Å; R2046-E2092 HydrophobicContact CB-CB 4.04Å; R2046-E2092 HydrophobicContact CB-CG 3.87Å |
| 2047 | I | 77.9 | Confident | 78.1 | Confident | 46.4 Ų | 46.4 | 33.2 Ų | 33.2 | 24% | 0.238 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 178.4 | -69.7 | 170.4 | 0 | 0 | 0 | 111.1 | L2043 I2044 I2045 T2049 R2050 Y2051 E2092 | L2043-I2047 HydrophobicContact CD1-CD1 3.88Å; L2043-I2047 HydrophobicContact CD1-CG1 4.08Å; L2043-I2047 HydrophobicContact CD2-CD1 4.34Å; L2043-I2047 HydrophobicContact CG-CD1 3.74Å; L2043-I2047 HydrophobicContact CG-CG1 4.33Å; L2043-I2047 WeakPolarHBondContact O-CB 3.41Å; L2043-I2047 VanDerWaalsContact O-CG1 3.3Å; L2043-I2047 WeakPolarHBondContact O-CG1 3.3Å; L2043-I2047 PolarHBondContact O-N 3.23Å; I2044-I2047 PolarHBondContact O-N 2.89Å; I2045-I2047 PolarHBondContact O-N 3.09Å; I2047-T2049 VanDerWaalsContact C-N 3.31Å; I2047-T2049 PolarHBondContact O-N 3.17Å; I2047-R2050 PolarHBondContact O-N 3.19Å; I2047-Y2051 HydrophobicContact CG2-CD2 3.67Å; I2047-Y2051 HydrophobicContact CG2-CE2 3.58Å; I2047-Y2051 VanDerWaalsContact O-CB 3.3Å; I2047-Y2051 WeakPolarHBondContact O-CB 3.28Å; I2047-Y2051 VanDerWaalsContact O-CD2 3.26Å; I2047-Y2051 WeakPolarHBondContact O-CD2 3.37Å; I2047-Y2051 PolarHBondContact O-N 3.2Å; I2047-E2092 WeakPolarHBondContact CA-OE2 3.25Å; I2047-E2092 HydrophobicContact CG1-CG 4.23Å; I2047-E2092 VanDerWaalsContact CG1-OE2 3.32Å; I2047-E2092 WeakPolarHBondContact CG1-OE2 3.33Å |
| 2048 | S | 74.7 | Confident | 77.9 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.9 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | I2044 I2045 R2046 R2050 Y2051 F2052 | I2044-S2048 VanDerWaalsContact O-CB 3.26Å; I2044-S2048 WeakPolarHBondContact O-CB 3.31Å; I2044-S2048 PolarHBondContact O-N 3.16Å; I2044-S2048 PolarHBondContact O-OG 3.25Å; I2044-S2048 VanDerWaalsContact O-OG 3.12Å; I2045-S2048 PolarHBondContact O-N 3.26Å; I2045-S2048 VanDerWaalsContact O-N 3.11Å; R2046-S2048 PolarHBondContact O-N 2.88Å; S2048-R2050 PolarHBondContact O-N 2.72Å; S2048-Y2051 PolarHBondContact O-N 3.17Å; S2048-F2052 VanDerWaalsContact O-CB 3.25Å; S2048-F2052 WeakPolarHBondContact O-CB 3.29Å; S2048-F2052 WeakPolarHBondContact O-CD2 3.35Å; S2048-F2052 WeakPolarHBondContact O-CG 3.43Å; S2048-F2052 PolarHBondContact O-N 3.05Å |
| 2049 | T | 80.3 | Confident | 77.2 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.1 | -41.9 | 178.2 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | L2034 L2037 L2038 I2045 R2046 I2047 Y2051 F2052 L2053 | L2034-T2049 HydrophobicContact CD2-CG2 4.34Å; L2037-T2049 HydrophobicContact CB-CG2 3.76Å; L2037-T2049 HydrophobicContact CD1-CG2 4.35Å; L2038-T2049 HydrophobicContact CD2-CG2 3.88Å; L2038-T2049 HydrophobicContact CG-CG2 3.85Å; I2045-T2049 VanDerWaalsContact O-CB 3.3Å; I2045-T2049 WeakPolarHBondContact O-CB 3.29Å; I2045-T2049 PolarHBondContact O-N 3.09Å; I2045-T2049 PolarHBondContact O-OG1 3.22Å; I2045-T2049 VanDerWaalsContact O-OG1 3.1Å; R2046-T2049 PolarHBondContact O-N 2.88Å; I2047-T2049 VanDerWaalsContact C-N 3.31Å; I2047-T2049 PolarHBondContact O-N 3.17Å; T2049-Y2051 VanDerWaalsContact C-N 3.32Å; T2049-Y2051 PolarHBondContact O-N 3.1Å; T2049-F2052 PolarHBondContact O-N 3Å; T2049-L2053 HydrophobicContact CG2-CD1 4.05Å; T2049-L2053 HydrophobicContact CG2-CG 4.38Å; T2049-L2053 VanDerWaalsContact O-CB 3.25Å; T2049-L2053 WeakPolarHBondContact O-CB 3.37Å; T2049-L2053 WeakPolarHBondContact O-CG 3.34Å; T2049-L2053 PolarHBondContact O-N 3.33Å |
| 2050 | R | 84.5 | Confident | 76.1 | Confident | 33.8 Ų | 33.8 | 39.6 Ų | 39.6 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.4 | -50.5 | 170.8 | 175.7 | -179.9 | 65.7 | 103.8 | 1.5 | 110.9 | N1564 L2038 R2046 I2047 S2048 F2052 L2053 H2054 E2092 L2096 Q2099 | N1564-R2050 PolarHBondContact OD1-NH2 3.29Å; L2038-R2050 HydrophobicContact CD2-CB 4.49Å; R2046-R2050 WeakPolarHBondContact O-CB 3.23Å; R2046-R2050 PolarHBondContact O-N 3.29Å; I2047-R2050 PolarHBondContact O-N 3.19Å; S2048-R2050 PolarHBondContact O-N 2.72Å; R2050-F2052 VanDerWaalsContact C-N 3.34Å; R2050-F2052 PolarHBondContact O-N 3.16Å; R2050-L2053 PolarHBondContact O-N 3.15Å; R2050-H2054 VanDerWaalsContact O-CB 3.23Å; R2050-H2054 WeakPolarHBondContact O-CB 3.37Å; R2050-H2054 PolarHBondContact O-N 3.06Å; R2050-E2092 WeakPolarHBondContact CD-O 3.39Å; R2050-E2092 VanDerWaalsContact CD-OE2 3.29Å; R2050-E2092 WeakPolarHBondContact CD-OE2 3.4Å; R2050-E2092 IonicContact CZ-OE1 2.83Å; R2050-E2092 IonicContact CZ-OE2 3.26Å; R2050-E2092 VanDerWaalsContact CZ-OE2 3.23Å; R2050-E2092 IonicContact NE-OE1 2.71Å; R2050-E2092 IonicContact NE-OE2 2.88Å; R2050-E2092 PolarHBondContact NE-OE2 3.15Å; R2050-E2092 IonicContact NH1-OE1 3.1Å; R2050-E2092 PolarHBondContact NH1-OE1 3.25Å; R2050-E2092 IonicContact NH1-OE2 3.88Å; R2050-E2092 PolarHBondContact NH1-OE2 3.47Å; R2050-E2092 VanDerWaalsContact NH2-CD 3.28Å; R2050-E2092 IonicContact NH2-OE1 2.94Å; R2050-E2092 PolarHBondContact NH2-OE1 3.39Å; R2050-E2092 IonicContact NH2-OE2 3.47Å; R2050-E2092 PolarHBondContact NH2-OE2 3.15Å; R2050-L2096 HydrophobicContact CB-CB 4.46Å; R2050-L2096 HydrophobicContact CG-CB 3.98Å; R2050-L2096 HydrophobicContact CG-CD1 4.05Å; R2050-L2096 HydrophobicContact CG-CG 4.45Å; R2050-L2096 WeakPolarHBondContact O-CD1 3.28Å; R2050-Q2099 VanDerWaalsContact NH1-NE2 3.18Å |
| 2051 | Y | 78.6 | Confident | 74.9 | Confident | 97.2 Ų | 97.2 | 40.2 Ų | 40.2 | 38% | 0.381 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.6 | -46.1 | -179 | -166.3 | -86.6 | 0 | 0 | 0 | 111.8 | I1567 N1571 H1682 L1686 I2047 S2048 T2049 L2053 H2054 T2055 | I1567-Y2051 HydrophobicContact CG2-CD2 3.84Å; I1567-Y2051 HydrophobicContact CG2-CE2 4.1Å; I1567-Y2051 HydrophobicContact CG2-CG 4.26Å; N1571-Y2051 HydrophobicContact CB-CE1 4.32Å; N1571-Y2051 WeakPolarHBondContact CB-OH 3.5Å; N1571-Y2051 WeakPolarHBondContact ND2-CE1 3.32Å; N1571-Y2051 PolarHBondContact ND2-OH 3.46Å; H1682-Y2051 AromaticContact CE1-CE2 3.42Å; H1682-Y2051 VanDerWaalsContact CE1-CE2 3.42Å; H1682-Y2051 WeakPolarHBondContact CE1-CE2 3.47Å; H1682-Y2051 AromaticContact CE1-CZ 3.91Å; H1682-Y2051 AromaticContact ND1-CE2 3.93Å; H1682-Y2051 AromaticContact ND1-CZ 3.97Å; H1682-Y2051 PolarHBondContact ND1-OH 3.45Å; L1686-Y2051 HydrophobicContact CD1-CE2 3.36Å; L1686-Y2051 VanDerWaalsContact CD1-CZ 3.48Å; L1686-Y2051 WeakPolarHBondContact CD1-OH 3.49Å; L1686-Y2051 HydrophobicContact CD2-CE2 4.31Å; L1686-Y2051 HydrophobicContact CG-CE2 4.48Å; I2047-Y2051 HydrophobicContact CG2-CD2 3.67Å; I2047-Y2051 HydrophobicContact CG2-CE2 3.58Å; I2047-Y2051 VanDerWaalsContact O-CB 3.3Å; I2047-Y2051 WeakPolarHBondContact O-CB 3.28Å; I2047-Y2051 VanDerWaalsContact O-CD2 3.26Å; I2047-Y2051 WeakPolarHBondContact O-CD2 3.37Å; I2047-Y2051 PolarHBondContact O-N 3.2Å; S2048-Y2051 PolarHBondContact O-N 3.17Å; T2049-Y2051 VanDerWaalsContact C-N 3.32Å; T2049-Y2051 PolarHBondContact O-N 3.1Å; Y2051-L2053 PolarHBondContact O-N 2.8Å; Y2051-H2054 PolarHBondContact O-N 3.31Å; Y2051-T2055 WeakPolarHBondContact CE1-OG1 3.41Å; Y2051-T2055 VanDerWaalsContact CZ-OG1 3.24Å; Y2051-T2055 VanDerWaalsContact O-CB 3.3Å; Y2051-T2055 WeakPolarHBondContact O-CB 3.39Å; Y2051-T2055 PolarHBondContact O-N 3.07Å; Y2051-T2055 PolarHBondContact O-OG1 3.29Å; Y2051-T2055 PolarHBondContact OH-OG1 3.43Å |
| 2052 | F | 77.8 | Confident | 74.1 | Confident | 11.8 Ų | 11.8 | 41.8 Ų | 41.8 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 177.7 | -146.9 | -81.2 | 0 | 0 | 0 | 112.3 | I1944 L1947 N1948 I1950 T1951 L2034 S2048 T2049 R2050 T2055 L2056 | I1944-F2052 HydrophobicContact CG2-CE2 4.3Å; L1947-F2052 HydrophobicContact CB-CB 4.13Å; L1947-F2052 HydrophobicContact CB-CD1 4.34Å; L1947-F2052 HydrophobicContact CB-CD2 3.78Å; L1947-F2052 HydrophobicContact CB-CE2 4.19Å; L1947-F2052 HydrophobicContact CB-CG 4Å; L1947-F2052 HydrophobicContact CD1-CD2 4.18Å; L1947-F2052 HydrophobicContact CD2-CB 4.45Å; L1947-F2052 HydrophobicContact CD2-CD1 3.86Å; L1947-F2052 HydrophobicContact CD2-CD2 4.01Å; L1947-F2052 HydrophobicContact CD2-CE1 4.11Å; L1947-F2052 HydrophobicContact CD2-CE2 4.28Å; L1947-F2052 HydrophobicContact CD2-CG 4.13Å; L1947-F2052 HydrophobicContact CD2-CZ 4.34Å; L1947-F2052 HydrophobicContact CG-CD2 4.36Å; L1947-F2052 HydrophobicContact CG-CG 4.48Å; L1947-F2052 VanDerWaalsContact O-CD2 3.24Å; L1947-F2052 WeakPolarHBondContact O-CD2 3.42Å; L1947-F2052 WeakPolarHBondContact O-CE2 3.31Å; L1947-F2052 VanDerWaalsContact O-CZ 3.25Å; L1947-F2052 WeakPolarHBondContact O-CZ 3.4Å; N1948-F2052 VanDerWaalsContact CA-CE1 3.48Å; N1948-F2052 HydrophobicContact CB-CE1 3.83Å; N1948-F2052 HydrophobicContact CB-CE2 4.44Å; N1948-F2052 HydrophobicContact CB-CZ 3.66Å; I1950-F2052 VanDerWaalsContact C-CZ 3.44Å; I1950-F2052 HydrophobicContact CB-CD1 4.27Å; I1950-F2052 HydrophobicContact CB-CE1 3.5Å; I1950-F2052 HydrophobicContact CB-CE2 4.05Å; I1950-F2052 HydrophobicContact CB-CZ 3.95Å; I1950-F2052 VanDerWaalsContact CB-CZ 3.42Å; I1950-F2052 HydrophobicContact CD1-CD1 4.43Å; I1950-F2052 HydrophobicContact CD1-CE1 4.26Å; I1950-F2052 HydrophobicContact CG1-CE1 4.5Å; I1950-F2052 HydrophobicContact CG2-CD1 4.44Å; I1950-F2052 HydrophobicContact CG2-CE1 3.35Å; I1950-F2052 HydrophobicContact CG2-CE2 4.14Å; I1950-F2052 HydrophobicContact CG2-CZ 3.87Å; T1951-F2052 HydrophobicContact CG2-CD1 4.46Å; T1951-F2052 HydrophobicContact CG2-CE2 3.96Å; T1951-F2052 HydrophobicContact CG2-CZ 4.16Å; T1951-F2052 WeakPolarHBondContact OG1-CD1 3.32Å; T1951-F2052 WeakPolarHBondContact OG1-CD2 3.35Å; T1951-F2052 WeakPolarHBondContact OG1-CE2 3.26Å; L2034-F2052 HydrophobicContact CD2-CD1 4.15Å; L2034-F2052 HydrophobicContact CD2-CE1 3.72Å; S2048-F2052 VanDerWaalsContact O-CB 3.25Å; S2048-F2052 WeakPolarHBondContact O-CB 3.29Å; S2048-F2052 WeakPolarHBondContact O-CD2 3.35Å; S2048-F2052 WeakPolarHBondContact O-CG 3.43Å; S2048-F2052 PolarHBondContact O-N 3.05Å; T2049-F2052 PolarHBondContact O-N 3Å; R2050-F2052 VanDerWaalsContact C-N 3.34Å; R2050-F2052 PolarHBondContact O-N 3.16Å; F2052-T2055 PolarHBondContact O-N 3.11Å; F2052-L2056 HydrophobicContact CE1-CB 4.31Å; F2052-L2056 HydrophobicContact CE1-CD2 4.03Å; F2052-L2056 HydrophobicContact CE2-CD2 4.27Å; F2052-L2056 HydrophobicContact CZ-CB 4.19Å; F2052-L2056 HydrophobicContact CZ-CD1 4.01Å; F2052-L2056 HydrophobicContact CZ-CD2 3.93Å; F2052-L2056 HydrophobicContact CZ-CG 4.28Å; F2052-L2056 VanDerWaalsContact O-CB 3.26Å; F2052-L2056 WeakPolarHBondContact O-CB 3.38Å; F2052-L2056 PolarHBondContact O-N 3.04Å |
| 2053 | L | 80.5 | Confident | 73.3 | Confident | 8.6 Ų | 8.6 | 48 Ų | 48 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 177.7 | -76 | 175.4 | 0 | 0 | 0 | 112.7 | F1962 L2034 L2038 T2049 R2050 Y2051 T2055 L2056 L2057 L2096 | F1962-L2053 HydrophobicContact CZ-CD2 4.2Å; L2034-L2053 HydrophobicContact CB-CD1 4.38Å; L2034-L2053 HydrophobicContact CD1-CD1 4.33Å; L2034-L2053 HydrophobicContact CD1-CD2 3.74Å; L2034-L2053 HydrophobicContact CD2-CD1 4.12Å; L2034-L2053 HydrophobicContact CD2-CD2 3.82Å; L2034-L2053 HydrophobicContact CD2-CG 4.19Å; L2034-L2053 HydrophobicContact CG-CD1 4.4Å; L2034-L2053 HydrophobicContact CG-CD2 4.32Å; L2038-L2053 HydrophobicContact CD1-CD1 3.76Å; L2038-L2053 HydrophobicContact CD2-CD1 4.24Å; L2038-L2053 HydrophobicContact CG-CD1 4.11Å; T2049-L2053 HydrophobicContact CG2-CD1 4.05Å; T2049-L2053 HydrophobicContact CG2-CG 4.38Å; T2049-L2053 VanDerWaalsContact O-CB 3.25Å; T2049-L2053 WeakPolarHBondContact O-CB 3.37Å; T2049-L2053 WeakPolarHBondContact O-CG 3.34Å; T2049-L2053 PolarHBondContact O-N 3.33Å; R2050-L2053 PolarHBondContact O-N 3.15Å; Y2051-L2053 PolarHBondContact O-N 2.8Å; L2053-T2055 VanDerWaalsContact C-N 3.31Å; L2053-T2055 PolarHBondContact O-N 3.14Å; L2053-L2056 HydrophobicContact CD2-CD2 4.43Å; L2053-L2056 PolarHBondContact O-N 3.18Å; L2053-L2057 VanDerWaalsContact O-CB 3.26Å; L2053-L2057 WeakPolarHBondContact O-CB 3.35Å; L2053-L2057 VanDerWaalsContact O-CG 3.28Å; L2053-L2057 WeakPolarHBondContact O-CG 3.3Å; L2053-L2057 PolarHBondContact O-N 3.04Å; L2053-L2096 HydrophobicContact CB-CD1 4.09Å; L2053-L2096 HydrophobicContact CB-CD2 3.83Å; L2053-L2096 HydrophobicContact CD1-CD2 3.62Å; L2053-L2096 HydrophobicContact CG-CD2 4.37Å |
| 2054 | H | 81.8 | Confident | 72.7 | Confident | 36.6 Ų | 36.6 | 45.9 Ų | 45.9 | 17% | 0.169 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 174.1 | 176.5 | -94 | 0 | 0 | 0 | 110.7 | R2050 Y2051 L2056 L2057 T2058 L2096 Q2099 F2103 | R2050-H2054 VanDerWaalsContact O-CB 3.23Å; R2050-H2054 WeakPolarHBondContact O-CB 3.37Å; R2050-H2054 PolarHBondContact O-N 3.06Å; Y2051-H2054 PolarHBondContact O-N 3.31Å; H2054-L2056 PolarHBondContact O-N 3.02Å; H2054-L2057 PolarHBondContact O-N 3.39Å; H2054-T2058 VanDerWaalsContact O-CB 3.31Å; H2054-T2058 WeakPolarHBondContact O-CB 3.42Å; H2054-T2058 VanDerWaalsContact O-CG2 3.3Å; H2054-T2058 WeakPolarHBondContact O-CG2 3.33Å; H2054-T2058 PolarHBondContact O-N 3.09Å; H2054-T2058 PolarHBondContact O-OG1 3.12Å; H2054-L2096 HydrophobicContact CB-CD1 3.92Å; H2054-Q2099 VanDerWaalsContact CD2-CB 3.5Å; H2054-Q2099 WeakPolarHBondContact CD2-CB 3.49Å; H2054-F2103 AromaticContact NE2-CE2 3.84Å |
| 2055 | T | 76.3 | Confident | 72.8 | Confident | 22.2 Ų | 22.2 | 44.9 Ų | 44.9 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 177.4 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | L1575 L1679 T1951 Y2051 F2052 L2053 L2057 T2058 F2059 | L1575-T2055 HydrophobicContact CD1-CG2 4.38Å; L1679-T2055 HydrophobicContact CD1-CG2 3.41Å; L1679-T2055 VanDerWaalsContact CD1-CG2 3.41Å; T1951-T2055 HydrophobicContact CG2-CG2 3.65Å; T1951-T2055 VanDerWaalsContact CG2-CG2 3.42Å; Y2051-T2055 WeakPolarHBondContact CE1-OG1 3.41Å; Y2051-T2055 VanDerWaalsContact CZ-OG1 3.24Å; Y2051-T2055 VanDerWaalsContact O-CB 3.3Å; Y2051-T2055 WeakPolarHBondContact O-CB 3.39Å; Y2051-T2055 PolarHBondContact O-N 3.07Å; Y2051-T2055 PolarHBondContact O-OG1 3.29Å; Y2051-T2055 PolarHBondContact OH-OG1 3.43Å; F2052-T2055 PolarHBondContact O-N 3.11Å; L2053-T2055 VanDerWaalsContact C-N 3.31Å; L2053-T2055 PolarHBondContact O-N 3.14Å; T2055-L2057 VanDerWaalsContact C-N 3.3Å; T2055-L2057 PolarHBondContact O-N 3.27Å; T2055-T2058 PolarHBondContact O-N 3.07Å; T2055-T2058 PolarHBondContact O-OG1 3.11Å; T2055-F2059 HydrophobicContact CG2-CD2 3.63Å; T2055-F2059 HydrophobicContact CG2-CE2 3.94Å; T2055-F2059 HydrophobicContact CG2-CG 4.33Å; T2055-F2059 VanDerWaalsContact O-CB 3.32Å; T2055-F2059 WeakPolarHBondContact O-CB 3.35Å; T2055-F2059 WeakPolarHBondContact O-CD2 3.35Å; T2055-F2059 PolarHBondContact O-N 2.97Å; T2055-F2059 VanDerWaalsContact O-N 3.15Å |
| 2056 | L | 75.8 | Confident | 72.8 | Confident | 7.8 Ų | 7.8 | 47.8 Ų | 47.8 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 179.9 | -177.2 | 63.4 | 0 | 0 | 0 | 112 | F1735 T1951 H1954 F1962 F2052 L2053 H2054 T2058 F2059 T2060 | F1735-L2056 HydrophobicContact CE2-CD1 4.48Å; F1735-L2056 HydrophobicContact CE2-CD2 4.47Å; F1735-L2056 HydrophobicContact CZ-CD2 4.21Å; T1951-L2056 HydrophobicContact CG2-CB 4.36Å; T1951-L2056 HydrophobicContact CG2-CD1 3.76Å; H1954-L2056 HydrophobicContact CB-CD1 3.69Å; H1954-L2056 VanDerWaalsContact CG-CD1 3.45Å; H1954-L2056 WeakPolarHBondContact ND1-CD1 3.41Å; F1962-L2056 HydrophobicContact CD1-CD2 4.38Å; F1962-L2056 HydrophobicContact CD2-CD2 3.8Å; F1962-L2056 HydrophobicContact CE1-CD2 4.15Å; F1962-L2056 HydrophobicContact CE2-CD2 3.55Å; F1962-L2056 HydrophobicContact CE2-CG 4.35Å; F1962-L2056 HydrophobicContact CG-CD2 4.21Å; F1962-L2056 HydrophobicContact CZ-CD2 3.82Å; F1962-L2056 HydrophobicContact CZ-CG 4.5Å; F2052-L2056 HydrophobicContact CE1-CB 4.31Å; F2052-L2056 HydrophobicContact CE1-CD2 4.03Å; F2052-L2056 HydrophobicContact CE2-CD2 4.27Å; F2052-L2056 HydrophobicContact CZ-CB 4.19Å; F2052-L2056 HydrophobicContact CZ-CD1 4.01Å; F2052-L2056 HydrophobicContact CZ-CD2 3.93Å; F2052-L2056 HydrophobicContact CZ-CG 4.28Å; F2052-L2056 VanDerWaalsContact O-CB 3.26Å; F2052-L2056 WeakPolarHBondContact O-CB 3.38Å; F2052-L2056 PolarHBondContact O-N 3.04Å; L2053-L2056 HydrophobicContact CD2-CD2 4.43Å; L2053-L2056 PolarHBondContact O-N 3.18Å; H2054-L2056 PolarHBondContact O-N 3.02Å; L2056-T2058 VanDerWaalsContact C-N 3.33Å; L2056-T2058 PolarHBondContact O-N 3.03Å; L2056-F2059 PolarHBondContact O-N 3.42Å; L2056-T2060 HydrophobicContact CD1-CG2 3.94Å; L2056-T2060 WeakPolarHBondContact O-CB 3.44Å; L2056-T2060 VanDerWaalsContact O-CG2 3.28Å; L2056-T2060 WeakPolarHBondContact O-CG2 3.34Å; L2056-T2060 PolarHBondContact O-N 3.13Å; L2056-T2060 PolarHBondContact O-OG1 2.97Å; L2056-T2060 VanDerWaalsContact O-OG1 3.08Å |
| 2057 | L | 77.5 | Confident | 72.4 | Confident | 6.6 Ų | 6.6 | 48.6 Ų | 48.6 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.3 | -25.2 | -176.8 | -65.2 | 173.4 | 0 | 0 | 0 | 113.4 | F1962 L2053 H2054 T2055 T2060 T2061 A2068 A2071 I2100 F2103 | F1962-L2057 HydrophobicContact CD1-CD2 4.47Å; F1962-L2057 HydrophobicContact CE1-CD2 3.84Å; F1962-L2057 HydrophobicContact CZ-CD2 4.36Å; L2053-L2057 VanDerWaalsContact O-CB 3.26Å; L2053-L2057 WeakPolarHBondContact O-CB 3.35Å; L2053-L2057 VanDerWaalsContact O-CG 3.28Å; L2053-L2057 WeakPolarHBondContact O-CG 3.3Å; L2053-L2057 PolarHBondContact O-N 3.04Å; H2054-L2057 PolarHBondContact O-N 3.39Å; T2055-L2057 VanDerWaalsContact C-N 3.3Å; T2055-L2057 PolarHBondContact O-N 3.27Å; L2057-T2060 PolarHBondContact O-OG1 2.96Å; L2057-T2061 VanDerWaalsContact O-CB 3.31Å; L2057-T2061 WeakPolarHBondContact O-CB 3.38Å; L2057-T2061 WeakPolarHBondContact O-CG2 3.31Å; L2057-T2061 PolarHBondContact O-N 3.24Å; L2057-T2061 VanDerWaalsContact O-N 3.14Å; L2057-T2061 PolarHBondContact O-OG1 3.12Å; L2057-A2068 HydrophobicContact CB-CB 4.45Å; L2057-A2068 HydrophobicContact CD2-CB 4.28Å; L2057-A2071 HydrophobicContact CD1-CB 3.9Å; L2057-A2071 HydrophobicContact CD2-CB 3.85Å; L2057-I2100 HydrophobicContact CD1-CD1 3.57Å; L2057-I2100 HydrophobicContact CD1-CG1 4.39Å; L2057-F2103 VanDerWaalsContact O-CE1 3.3Å; L2057-F2103 WeakPolarHBondContact O-CE1 3.24Å |
| 2058 | T | 74.8 | Confident | 72.3 | Confident | 23.2 Ų | 23.2 | 46.4 Ų | 46.4 | 14% | 0.142 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -90 | -28.9 | 177 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | H2054 T2055 L2056 T2061 F2103 | H2054-T2058 VanDerWaalsContact O-CB 3.31Å; H2054-T2058 WeakPolarHBondContact O-CB 3.42Å; H2054-T2058 VanDerWaalsContact O-CG2 3.3Å; H2054-T2058 WeakPolarHBondContact O-CG2 3.33Å; H2054-T2058 PolarHBondContact O-N 3.09Å; H2054-T2058 PolarHBondContact O-OG1 3.12Å; T2055-T2058 PolarHBondContact O-N 3.07Å; T2055-T2058 PolarHBondContact O-OG1 3.11Å; L2056-T2058 VanDerWaalsContact C-N 3.33Å; L2056-T2058 PolarHBondContact O-N 3.03Å; T2058-T2061 WeakPolarHBondContact CA-OG1 3.21Å; T2058-T2061 PolarHBondContact O-N 3.49Å; T2058-T2061 PolarHBondContact O-OG1 3.33Å; T2058-F2103 HydrophobicContact CG2-CB 4.41Å; T2058-F2103 HydrophobicContact CG2-CD1 4.26Å; T2058-F2103 HydrophobicContact CG2-CD2 3.76Å; T2058-F2103 HydrophobicContact CG2-CE1 4.13Å; T2058-F2103 HydrophobicContact CG2-CE2 3.66Å; T2058-F2103 VanDerWaalsContact CG2-CE2 3.47Å; T2058-F2103 HydrophobicContact CG2-CG 4.1Å; T2058-F2103 HydrophobicContact CG2-CZ 3.74Å; T2058-F2103 WeakPolarHBondContact O-CZ 3.33Å |
| 2059 | F | 67.6 | Low | 72.7 | Confident | 100.4 Ų | 100.4 | 46.4 Ų | 46.4 | 44% | 0.44 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -86.7 | -18.8 | 177.1 | -79.2 | -82.3 | 0 | 0 | 0 | 113.5 | L1575 H1675 K1678 H1682 T2055 L2056 T2061 I2062 | L1575-F2059 HydrophobicContact CB-CE1 4.06Å; L1575-F2059 HydrophobicContact CB-CZ 3.88Å; L1575-F2059 HydrophobicContact CD1-CE1 4.14Å; L1575-F2059 HydrophobicContact CD1-CE2 3.82Å; L1575-F2059 HydrophobicContact CD1-CZ 3.51Å; L1575-F2059 HydrophobicContact CD2-CE1 4.03Å; L1575-F2059 HydrophobicContact CD2-CZ 4.25Å; L1575-F2059 HydrophobicContact CG-CE1 4.28Å; L1575-F2059 HydrophobicContact CG-CZ 4.06Å; H1675-F2059 WeakPolarHBondContact CB-O 3.37Å; H1675-F2059 PolarHBondContact CD2-O 2.87Å; K1678-F2059 HydrophobicContact CB-CD1 3.58Å; K1678-F2059 HydrophobicContact CB-CE1 3.82Å; K1678-F2059 HydrophobicContact CD-CD1 3.98Å; K1678-F2059 HydrophobicContact CD-CE1 4.48Å; K1678-F2059 HydrophobicContact CG-CD1 4.29Å; K1678-F2059 HydrophobicContact CG-CE1 4.47Å; H1682-F2059 HydrophobicContact CB-CE2 4.45Å; H1682-F2059 HydrophobicContact CB-CZ 4.16Å; H1682-F2059 AromaticContact CE1-CE2 3.79Å; H1682-F2059 AromaticContact CG-CE2 3.99Å; H1682-F2059 AromaticContact CG-CZ 3.88Å; H1682-F2059 AromaticContact ND1-CE2 3.57Å; H1682-F2059 AromaticContact ND1-CZ 3.94Å; T2055-F2059 HydrophobicContact CG2-CD2 3.63Å; T2055-F2059 HydrophobicContact CG2-CE2 3.94Å; T2055-F2059 HydrophobicContact CG2-CG 4.33Å; T2055-F2059 VanDerWaalsContact O-CB 3.32Å; T2055-F2059 WeakPolarHBondContact O-CB 3.35Å; T2055-F2059 WeakPolarHBondContact O-CD2 3.35Å; T2055-F2059 PolarHBondContact O-N 2.97Å; T2055-F2059 VanDerWaalsContact O-N 3.15Å; L2056-F2059 PolarHBondContact O-N 3.42Å; F2059-T2061 VanDerWaalsContact C-N 3.28Å; F2059-T2061 PolarHBondContact O-N 3.06Å; F2059-I2062 HydrophobicContact CD1-CD1 4.47Å; F2059-I2062 PolarHBondContact O-N 2.68Å |
| 2060 | T | 60.2 | Low | 72.6 | Confident | 27.2 Ų | 27.2 | 49.1 Ų | 49.1 | 17% | 0.167 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -78.9 | -17.3 | 177 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | H1675 H1954 L2056 L2057 I2062 E2063 N2064 | H1675-T2060 PolarHBondContact NE2-O 2.74Å; H1954-T2060 VanDerWaalsContact ND1-CG2 3.34Å; H1954-T2060 WeakPolarHBondContact ND1-CG2 3.46Å; L2056-T2060 HydrophobicContact CD1-CG2 3.94Å; L2056-T2060 WeakPolarHBondContact O-CB 3.44Å; L2056-T2060 VanDerWaalsContact O-CG2 3.28Å; L2056-T2060 WeakPolarHBondContact O-CG2 3.34Å; L2056-T2060 PolarHBondContact O-N 3.13Å; L2056-T2060 PolarHBondContact O-OG1 2.97Å; L2056-T2060 VanDerWaalsContact O-OG1 3.08Å; L2057-T2060 PolarHBondContact O-OG1 2.96Å; T2060-I2062 PolarHBondContact O-N 2.94Å; T2060-I2062 VanDerWaalsContact O-N 3.09Å; T2060-E2063 PolarHBondContact O-N 2.8Å; T2060-E2063 VanDerWaalsContact O-N 3.16Å; T2060-N2064 VanDerWaalsContact CB-ND2 3.3Å; T2060-N2064 WeakPolarHBondContact CB-ND2 3.42Å; T2060-N2064 HydrophobicContact CG2-CB 3.74Å; T2060-N2064 PolarHBondContact O-N 3.27Å; T2060-N2064 VanDerWaalsContact O-N 3.15Å; T2060-N2064 WeakPolarHBondContact OG1-CB 3.42Å; T2060-N2064 PolarHBondContact OG1-ND2 2.95Å; T2060-N2064 VanDerWaalsContact OG1-ND2 3.08Å |
| 2061 | T | 55.8 | Low | 72.4 | Confident | 30.2 Ų | 30.2 | 47.9 Ų | 47.9 | 19% | 0.185 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 26.8 | -177.5 | 49.9 | 0 | 0 | 0 | 0 | 113.9 | N1672 L2057 T2058 F2059 E2063 N2064 R2065 A2068 | N1672-T2061 WeakPolarHBondContact OD1-CG2 3.35Å; L2057-T2061 VanDerWaalsContact O-CB 3.31Å; L2057-T2061 WeakPolarHBondContact O-CB 3.38Å; L2057-T2061 WeakPolarHBondContact O-CG2 3.31Å; L2057-T2061 PolarHBondContact O-N 3.24Å; L2057-T2061 VanDerWaalsContact O-N 3.14Å; L2057-T2061 PolarHBondContact O-OG1 3.12Å; T2058-T2061 WeakPolarHBondContact CA-OG1 3.21Å; T2058-T2061 PolarHBondContact O-N 3.49Å; T2058-T2061 PolarHBondContact O-OG1 3.33Å; F2059-T2061 VanDerWaalsContact C-N 3.28Å; F2059-T2061 PolarHBondContact O-N 3.06Å; T2061-E2063 PolarHBondContact O-N 3.26Å; T2061-N2064 VanDerWaalsContact CA-O 3.27Å; T2061-N2064 WeakPolarHBondContact CA-O 3.36Å; T2061-N2064 WeakPolarHBondContact O-CB 3.46Å; T2061-N2064 PolarHBondContact O-N 3.15Å; T2061-N2064 PolarHBondContact OG1-ND2 2.96Å; T2061-N2064 PolarHBondContact OG1-OD1 3.13Å; T2061-N2064 VanDerWaalsContact OG1-OD1 3.06Å; T2061-R2065 HydrophobicContact CG2-CG 4.44Å; T2061-R2065 WeakPolarHBondContact O-CG 3.26Å; T2061-A2068 HydrophobicContact CG2-CB 3.49Å |
| 2062 | I | 57.3 | Low | 72.6 | Confident | 135 Ų | 135 | 43.2 Ų | 43.2 | 69% | 0.692 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -34.2 | 176.8 | -60.9 | 174.4 | 0 | 0 | 0 | 111.1 | F2059 T2060 N2064 R2065 | F2059-I2062 HydrophobicContact CD1-CD1 4.47Å; F2059-I2062 PolarHBondContact O-N 2.68Å; T2060-I2062 PolarHBondContact O-N 2.94Å; T2060-I2062 VanDerWaalsContact O-N 3.09Å; I2062-N2064 VanDerWaalsContact C-N 3.32Å; I2062-N2064 PolarHBondContact O-N 3.05Å; I2062-R2065 WeakPolarHBondContact O-CB 3.49Å; I2062-R2065 VanDerWaalsContact O-CG 3.31Å; I2062-R2065 WeakPolarHBondContact O-CG 3.49Å; I2062-R2065 PolarHBondContact O-N 3.16Å |
| 2063 | E | 56.2 | Low | 72.9 | Confident | 177 Ų | 177 | 45.6 Ų | 45.6 | 83% | 0.827 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -27.4 | 178.7 | -63 | -178.2 | 167 | 0 | 0 | 113.5 | T2060 T2061 R2065 | T2060-E2063 PolarHBondContact O-N 2.8Å; T2060-E2063 VanDerWaalsContact O-N 3.16Å; T2061-E2063 PolarHBondContact O-N 3.26Å; E2063-R2065 VanDerWaalsContact C-N 3.28Å; E2063-R2065 PolarHBondContact O-N 3.47Å |
| 2064 | N | 63.6 | Low | 72.9 | Confident | 39.8 Ų | 39.8 | 47.7 Ų | 47.7 | 21% | 0.213 | 23% | 0.23 | C | C | . | . | trans | -124.1 | 80.9 | 173.7 | -138.1 | -4.1 | 0 | 0 | 0 | 112.9 | H1954 T2060 T2061 I2062 D2066 Y2067 A2068 | H1954-N2064 PolarHBondContact CE1-ND2 3.05Å; T2060-N2064 VanDerWaalsContact CB-ND2 3.3Å; T2060-N2064 WeakPolarHBondContact CB-ND2 3.42Å; T2060-N2064 HydrophobicContact CG2-CB 3.74Å; T2060-N2064 PolarHBondContact O-N 3.27Å; T2060-N2064 VanDerWaalsContact O-N 3.15Å; T2060-N2064 WeakPolarHBondContact OG1-CB 3.42Å; T2060-N2064 PolarHBondContact OG1-ND2 2.95Å; T2060-N2064 VanDerWaalsContact OG1-ND2 3.08Å; T2061-N2064 VanDerWaalsContact CA-O 3.27Å; T2061-N2064 WeakPolarHBondContact CA-O 3.36Å; T2061-N2064 WeakPolarHBondContact O-CB 3.46Å; T2061-N2064 PolarHBondContact O-N 3.15Å; T2061-N2064 PolarHBondContact OG1-ND2 2.96Å; T2061-N2064 PolarHBondContact OG1-OD1 3.13Å; T2061-N2064 VanDerWaalsContact OG1-OD1 3.06Å; I2062-N2064 VanDerWaalsContact C-N 3.32Å; I2062-N2064 PolarHBondContact O-N 3.05Å; N2064-D2066 VanDerWaalsContact C-N 3.3Å; N2064-D2066 PolarHBondContact ND2-OD2 3.06Å; N2064-D2066 VanDerWaalsContact ND2-OD2 3.11Å; N2064-D2066 PolarHBondContact O-N 3.03Å; N2064-D2066 VanDerWaalsContact OD1-CB 3.3Å; N2064-D2066 WeakPolarHBondContact OD1-CB 3.33Å; N2064-D2066 PolarHBondContact OD1-N 2.94Å; N2064-D2066 PolarHBondContact OD1-OD1 3.07Å; N2064-D2066 PolarHBondContact OD1-OD2 3.22Å; N2064-D2066 VanDerWaalsContact OD1-OD2 3.09Å; N2064-Y2067 HydrophobicContact CB-CD2 4.05Å; N2064-Y2067 HydrophobicContact CB-CE2 3.99Å; N2064-Y2067 HydrophobicContact CB-CG 4.24Å; N2064-Y2067 VanDerWaalsContact CG-CD2 3.49Å; N2064-Y2067 WeakPolarHBondContact O-CA 3.46Å; N2064-Y2067 WeakPolarHBondContact O-CB 3.3Å; N2064-Y2067 WeakPolarHBondContact O-CD2 3.5Å; N2064-Y2067 PolarHBondContact O-N 3.32Å; N2064-Y2067 VanDerWaalsContact O-N 3.11Å; N2064-Y2067 WeakPolarHBondContact OD1-CD2 2.99Å; N2064-Y2067 WeakPolarHBondContact OD1-CE2 3.31Å; N2064-A2068 PolarHBondContact O-N 3.09Å | ||
| 2065 | R | 72.5 | Confident | 73.1 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -73.9 | -23.3 | 178.4 | -71.1 | -178.1 | 175.4 | -151.2 | -5.2 | 113.8 | T2061 I2062 E2063 Y2067 A2068 Y2069 F2103 M2104 | T2061-R2065 HydrophobicContact CG2-CG 4.44Å; T2061-R2065 WeakPolarHBondContact O-CG 3.26Å; I2062-R2065 WeakPolarHBondContact O-CB 3.49Å; I2062-R2065 VanDerWaalsContact O-CG 3.31Å; I2062-R2065 WeakPolarHBondContact O-CG 3.49Å; I2062-R2065 PolarHBondContact O-N 3.16Å; E2063-R2065 VanDerWaalsContact C-N 3.28Å; E2063-R2065 PolarHBondContact O-N 3.47Å; R2065-Y2067 VanDerWaalsContact C-N 3.27Å; R2065-Y2067 PolarHBondContact O-N 2.92Å; R2065-Y2067 VanDerWaalsContact O-N 3.15Å; R2065-A2068 PolarHBondContact O-N 3.09Å; R2065-A2068 VanDerWaalsContact O-N 3.15Å; R2065-Y2069 PolarHBondContact O-N 3.11Å; R2065-F2103 PolarHBondContact NH1-O 3.18Å; R2065-F2103 PolarHBondContact NH2-O 3.28Å; R2065-M2104 HydrophobicContact CB-CE 4.35Å; R2065-M2104 HydrophobicContact CB-SD 4.45Å; R2065-M2104 WeakPolarHBondContact O-CE 3.4Å |
| 2066 | D | 73.8 | Confident | 73.6 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 40% | 0.401 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.7 | -37 | 176.7 | -62 | -13.6 | 0 | 0 | 0 | 111.7 | N2064 A2068 Y2069 Y2070 H2107 | N2064-D2066 VanDerWaalsContact C-N 3.3Å; N2064-D2066 PolarHBondContact ND2-OD2 3.06Å; N2064-D2066 VanDerWaalsContact ND2-OD2 3.11Å; N2064-D2066 PolarHBondContact O-N 3.03Å; N2064-D2066 VanDerWaalsContact OD1-CB 3.3Å; N2064-D2066 WeakPolarHBondContact OD1-CB 3.33Å; N2064-D2066 PolarHBondContact OD1-N 2.94Å; N2064-D2066 PolarHBondContact OD1-OD1 3.07Å; N2064-D2066 PolarHBondContact OD1-OD2 3.22Å; N2064-D2066 VanDerWaalsContact OD1-OD2 3.09Å; D2066-A2068 VanDerWaalsContact C-N 3.31Å; D2066-A2068 PolarHBondContact O-N 2.88Å; D2066-Y2069 WeakPolarHBondContact O-CB 3.41Å; D2066-Y2069 PolarHBondContact O-N 3.28Å; D2066-Y2070 HydrophobicContact CB-CD2 4.37Å; D2066-Y2070 HydrophobicContact CB-CE2 4.07Å; D2066-Y2070 WeakPolarHBondContact O-CB 3.38Å; D2066-Y2070 WeakPolarHBondContact O-CD2 3.38Å; D2066-Y2070 PolarHBondContact O-N 3.13Å; D2066-H2107 IonicContact OD1-CE1 3.93Å; D2066-H2107 IonicContact OD1-NE2 3.44Å; D2066-H2107 PolarHBondContact OD1-NE2 3.33Å |
| 2067 | Y | 71.9 | Confident | 73.9 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.6 | -37.6 | 179 | -56.1 | -46.5 | 0 | 0 | 0 | 112.6 | N1960 E1961 F1962 C1963 N2064 R2065 Y2069 A2071 | N1960-Y2067 WeakPolarHBondContact CA-OH 3.38Å; N1960-Y2067 PolarHBondContact ND2-OH 3.37Å; N1960-Y2067 PolarHBondContact OD1-OH 3.39Å; E1961-Y2067 HydrophobicContact CB-CD1 4.09Å; E1961-Y2067 HydrophobicContact CB-CE1 3.92Å; E1961-Y2067 HydrophobicContact CG-CE1 3.65Å; E1961-Y2067 PolarHBondContact OE1-OH 3.37Å; F1962-Y2067 HydrophobicContact CB-CD1 3.66Å; F1962-Y2067 HydrophobicContact CB-CE1 4.19Å; F1962-Y2067 HydrophobicContact CB-CG 3.89Å; C1963-Y2067 HydrophobicContact CB-CD1 4.05Å; C1963-Y2067 HydrophobicContact CB-CE1 4.27Å; C1963-Y2067 WeakPolarHBondContact SG-CD1 3.36Å; C1963-Y2067 VanDerWaalsContact SG-CG 3.59Å; N2064-Y2067 HydrophobicContact CB-CD2 4.05Å; N2064-Y2067 HydrophobicContact CB-CE2 3.99Å; N2064-Y2067 HydrophobicContact CB-CG 4.24Å; N2064-Y2067 VanDerWaalsContact CG-CD2 3.49Å; N2064-Y2067 WeakPolarHBondContact O-CA 3.46Å; N2064-Y2067 WeakPolarHBondContact O-CB 3.3Å; N2064-Y2067 WeakPolarHBondContact O-CD2 3.5Å; N2064-Y2067 PolarHBondContact O-N 3.32Å; N2064-Y2067 VanDerWaalsContact O-N 3.11Å; N2064-Y2067 WeakPolarHBondContact OD1-CD2 2.99Å; N2064-Y2067 WeakPolarHBondContact OD1-CE2 3.31Å; R2065-Y2067 VanDerWaalsContact C-N 3.27Å; R2065-Y2067 PolarHBondContact O-N 2.92Å; R2065-Y2067 VanDerWaalsContact O-N 3.15Å; Y2067-Y2069 VanDerWaalsContact C-N 3.34Å; Y2067-A2071 VanDerWaalsContact O-CB 3.27Å; Y2067-A2071 WeakPolarHBondContact O-CB 3.36Å; Y2067-A2071 PolarHBondContact O-N 3.29Å; Y2067-A2071 VanDerWaalsContact O-N 3.09Å |
| 2068 | A | 77.8 | Confident | 74.2 | Confident | 1.2 Ų | 1.2 | 50.7 Ų | 50.7 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.6 | -35.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2057 T2061 N2064 R2065 D2066 A2071 L2072 I2100 M2104 | L2057-A2068 HydrophobicContact CB-CB 4.45Å; L2057-A2068 HydrophobicContact CD2-CB 4.28Å; T2061-A2068 HydrophobicContact CG2-CB 3.49Å; N2064-A2068 PolarHBondContact O-N 3.09Å; R2065-A2068 PolarHBondContact O-N 3.09Å; R2065-A2068 VanDerWaalsContact O-N 3.15Å; D2066-A2068 VanDerWaalsContact C-N 3.31Å; D2066-A2068 PolarHBondContact O-N 2.88Å; A2068-A2071 PolarHBondContact O-N 3.2Å; A2068-L2072 WeakPolarHBondContact O-CB 3.34Å; A2068-L2072 WeakPolarHBondContact O-CD1 3.26Å; A2068-L2072 VanDerWaalsContact O-CG 3.24Å; A2068-L2072 WeakPolarHBondContact O-CG 3.38Å; A2068-L2072 PolarHBondContact O-N 3.12Å; A2068-I2100 HydrophobicContact CB-CG2 4.44Å; A2068-M2104 HydrophobicContact CB-CE 4.36Å; A2068-M2104 HydrophobicContact CB-SD 3.86Å |
| 2069 | Y | 81.8 | Confident | 74.6 | Confident | 22.2 Ų | 22.2 | 50.1 Ų | 50.1 | 9% | 0.087 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -49.3 | 172.4 | 175.8 | -109.7 | 0 | 0 | 0 | 111.7 | R2065 D2066 Y2067 A2071 L2072 E2073 M2104 H2107 Q2109 F2110 S2113 W2117 | R2065-Y2069 PolarHBondContact O-N 3.11Å; D2066-Y2069 WeakPolarHBondContact O-CB 3.41Å; D2066-Y2069 PolarHBondContact O-N 3.28Å; Y2067-Y2069 VanDerWaalsContact C-N 3.34Å; Y2069-A2071 VanDerWaalsContact C-N 3.33Å; Y2069-A2071 PolarHBondContact O-N 3.05Å; Y2069-L2072 PolarHBondContact O-N 3.16Å; Y2069-E2073 WeakPolarHBondContact O-CB 3.34Å; Y2069-E2073 PolarHBondContact O-N 3.22Å; Y2069-E2073 PolarHBondContact OH-OE1 2.94Å; Y2069-M2104 HydrophobicContact CD2-CE 4.47Å; Y2069-H2107 AromaticContact CD1-CE1 3.85Å; Y2069-H2107 AromaticContact CG-CE1 3.73Å; Y2069-Q2109 HydrophobicContact CD1-CB 4.38Å; Y2069-Q2109 HydrophobicContact CE1-CB 3.98Å; Y2069-Q2109 VanDerWaalsContact CE1-CD 3.49Å; Y2069-Q2109 HydrophobicContact CE1-CG 3.99Å; Y2069-Q2109 HydrophobicContact CE2-CG 4.42Å; Y2069-Q2109 PolarHBondContact OH-O 3.24Å; Y2069-F2110 HydrophobicContact CD2-CB 3.82Å; Y2069-F2110 HydrophobicContact CD2-CD2 4.19Å; Y2069-F2110 HydrophobicContact CD2-CG 4.46Å; Y2069-F2110 HydrophobicContact CE2-CB 4.29Å; Y2069-S2113 PolarHBondContact OH-OG 3.16Å; Y2069-W2117 HydrophobicContact CD2-CH2 4.45Å; Y2069-W2117 AromaticContact CE2-CH2 3.94Å; Y2069-W2117 HydrophobicContact CE2-CH2 4.15Å |
| 2070 | Y | 78.3 | Confident | 75 | Confident | 57.8 Ų | 57.8 | 48 Ų | 48 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 177 | -138.2 | -84.4 | 0 | 0 | 0 | 112.6 | C1963 L1966 K1967 D2066 L2072 E2073 Q2074 | C1963-Y2070 HydrophobicContact CB-CD1 4.18Å; C1963-Y2070 HydrophobicContact CB-CE1 4.41Å; C1963-Y2070 WeakPolarHBondContact SG-CD1 3.27Å; C1963-Y2070 WeakPolarHBondContact SG-CD2 3.49Å; L1966-Y2070 HydrophobicContact CB-CE1 4.26Å; L1966-Y2070 HydrophobicContact CD1-CD1 4.05Å; L1966-Y2070 HydrophobicContact CD1-CE1 4.28Å; K1967-Y2070 VanDerWaalsContact CE-CE2 3.41Å; K1967-Y2070 WeakPolarHBondContact CE-OH 3.47Å; K1967-Y2070 HydrophobicContact CG-CE1 4.14Å; K1967-Y2070 WeakPolarHBondContact CG-OH 3.5Å; D2066-Y2070 HydrophobicContact CB-CD2 4.37Å; D2066-Y2070 HydrophobicContact CB-CE2 4.07Å; D2066-Y2070 WeakPolarHBondContact O-CB 3.38Å; D2066-Y2070 WeakPolarHBondContact O-CD2 3.38Å; D2066-Y2070 PolarHBondContact O-N 3.13Å; Y2070-L2072 VanDerWaalsContact C-N 3.33Å; Y2070-L2072 PolarHBondContact O-N 2.97Å; Y2070-E2073 PolarHBondContact O-N 3.19Å; Y2070-Q2074 HydrophobicContact CD1-CG 4.4Å; Y2070-Q2074 HydrophobicContact CE1-CG 3.92Å; Y2070-Q2074 HydrophobicContact CE2-CG 4.35Å; Y2070-Q2074 WeakPolarHBondContact O-CG 3.35Å; Y2070-Q2074 PolarHBondContact O-N 3.1Å; Y2070-Q2074 VanDerWaalsContact O-N 3.1Å; Y2070-Q2074 PolarHBondContact OH-NE2 2.99Å |
| 2071 | A | 79.6 | Confident | 75.7 | Confident | 8.6 Ų | 8.6 | 51.1 Ų | 51.1 | 7% | 0.071 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1962 L1966 L2057 Y2067 A2068 Y2069 Q2074 M2075 | F1962-A2071 HydrophobicContact CE1-CB 4.06Å; L1966-A2071 HydrophobicContact CD1-CB 4.14Å; L2057-A2071 HydrophobicContact CD1-CB 3.9Å; L2057-A2071 HydrophobicContact CD2-CB 3.85Å; Y2067-A2071 VanDerWaalsContact O-CB 3.27Å; Y2067-A2071 WeakPolarHBondContact O-CB 3.36Å; Y2067-A2071 PolarHBondContact O-N 3.29Å; Y2067-A2071 VanDerWaalsContact O-N 3.09Å; A2068-A2071 PolarHBondContact O-N 3.2Å; Y2069-A2071 VanDerWaalsContact C-N 3.33Å; Y2069-A2071 PolarHBondContact O-N 3.05Å; A2071-Q2074 PolarHBondContact O-N 3.09Å; A2071-M2075 VanDerWaalsContact O-CG 3.29Å; A2071-M2075 WeakPolarHBondContact O-CG 3.36Å; A2071-M2075 PolarHBondContact O-N 3.08Å |
| 2072 | L | 84.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.4 | -74.2 | 168.6 | 0 | 0 | 0 | 112 | A2068 Y2069 Y2070 Q2074 M2075 F2076 L2097 I2100 I2101 M2104 F2110 | A2068-L2072 WeakPolarHBondContact O-CB 3.34Å; A2068-L2072 WeakPolarHBondContact O-CD1 3.26Å; A2068-L2072 VanDerWaalsContact O-CG 3.24Å; A2068-L2072 WeakPolarHBondContact O-CG 3.38Å; A2068-L2072 PolarHBondContact O-N 3.12Å; Y2069-L2072 PolarHBondContact O-N 3.16Å; Y2070-L2072 VanDerWaalsContact C-N 3.33Å; Y2070-L2072 PolarHBondContact O-N 2.97Å; L2072-Q2074 VanDerWaalsContact C-N 3.32Å; L2072-Q2074 PolarHBondContact O-N 2.97Å; L2072-M2075 CarbonylContact O-C 3.56Å; L2072-M2075 WeakPolarHBondContact O-CA 3.44Å; L2072-M2075 WeakPolarHBondContact O-CB 3.26Å; L2072-M2075 PolarHBondContact O-N 3.08Å; L2072-M2075 VanDerWaalsContact O-N 3.09Å; L2072-F2076 VanDerWaalsContact O-CD2 3.29Å; L2072-F2076 WeakPolarHBondContact O-CD2 3.39Å; L2072-F2076 PolarHBondContact O-N 3.17Å; L2072-L2097 HydrophobicContact CD2-CD2 3.71Å; L2072-I2100 HydrophobicContact CD1-CG2 3.91Å; L2072-I2100 HydrophobicContact CD2-CB 4.12Å; L2072-I2100 HydrophobicContact CD2-CD1 4.41Å; L2072-I2100 HydrophobicContact CD2-CG2 3.96Å; L2072-I2100 HydrophobicContact CG-CG2 4.08Å; L2072-I2101 HydrophobicContact CD2-CG1 4.26Å; L2072-M2104 HydrophobicContact CD1-CE 4.38Å; L2072-M2104 HydrophobicContact CD1-CG 3.65Å; L2072-M2104 HydrophobicContact CD1-SD 4.26Å; L2072-F2110 HydrophobicContact CD1-CD2 4.05Å; L2072-F2110 HydrophobicContact CD1-CE2 3.79Å |
| 2073 | E | 83.9 | Confident | 78 | Confident | 62.2 Ų | 62.2 | 45.6 Ų | 45.6 | 29% | 0.291 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.3 | -47.3 | 175.8 | -176.5 | -175.3 | -137.1 | 0 | 0 | 111.3 | K1967 Y2069 Y2070 M2075 F2076 N2077 W2117 | K1967-E2073 IonicContact NZ-OE2 3.27Å; Y2069-E2073 WeakPolarHBondContact O-CB 3.34Å; Y2069-E2073 PolarHBondContact O-N 3.22Å; Y2069-E2073 PolarHBondContact OH-OE1 2.94Å; Y2070-E2073 PolarHBondContact O-N 3.19Å; E2073-M2075 PolarHBondContact O-N 2.72Å; E2073-F2076 PolarHBondContact O-N 3.18Å; E2073-N2077 VanDerWaalsContact O-CG 3.25Å; E2073-N2077 PolarHBondContact O-N 3.08Å; E2073-N2077 VanDerWaalsContact O-N 3.14Å; E2073-N2077 PolarHBondContact O-ND2 3.01Å; E2073-N2077 VanDerWaalsContact O-ND2 3.15Å; E2073-W2117 HydrophobicContact CB-CZ2 4.42Å |
| 2074 | Q | 80.8 | Confident | 79.1 | Confident | 51.8 Ų | 51.8 | 38.3 Ų | 38.3 | 24% | 0.242 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 175.3 | -63.2 | -51.2 | -50.1 | 0 | 0 | 112.6 | Y2070 A2071 L2072 F2076 N2077 W2078 | Y2070-Q2074 HydrophobicContact CD1-CG 4.4Å; Y2070-Q2074 HydrophobicContact CE1-CG 3.92Å; Y2070-Q2074 HydrophobicContact CE2-CG 4.35Å; Y2070-Q2074 WeakPolarHBondContact O-CG 3.35Å; Y2070-Q2074 PolarHBondContact O-N 3.1Å; Y2070-Q2074 VanDerWaalsContact O-N 3.1Å; Y2070-Q2074 PolarHBondContact OH-NE2 2.99Å; A2071-Q2074 PolarHBondContact O-N 3.09Å; L2072-Q2074 VanDerWaalsContact C-N 3.32Å; L2072-Q2074 PolarHBondContact O-N 2.97Å; Q2074-F2076 PolarHBondContact O-N 3.23Å; Q2074-N2077 WeakPolarHBondContact O-CB 3.39Å; Q2074-N2077 PolarHBondContact O-N 3.15Å; Q2074-W2078 PolarHBondContact O-N 3.21Å; Q2074-W2078 PolarHBondContact O-NE1 2.82Å |
| 2075 | M | 85.5 | Confident | 79.9 | Confident | 7.4 Ų | 7.4 | 40.2 Ų | 40.2 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 175.9 | -72 | -179.9 | 73.4 | 0 | 0 | 112.5 | L2038 A2071 L2072 E2073 N2077 W2078 L2079 Y2093 L2096 L2097 I2100 | L2038-M2075 HydrophobicContact CD1-CE 4.44Å; A2071-M2075 VanDerWaalsContact O-CG 3.29Å; A2071-M2075 WeakPolarHBondContact O-CG 3.36Å; A2071-M2075 PolarHBondContact O-N 3.08Å; L2072-M2075 CarbonylContact O-C 3.56Å; L2072-M2075 WeakPolarHBondContact O-CA 3.44Å; L2072-M2075 WeakPolarHBondContact O-CB 3.26Å; L2072-M2075 PolarHBondContact O-N 3.08Å; L2072-M2075 VanDerWaalsContact O-N 3.09Å; E2073-M2075 PolarHBondContact O-N 2.72Å; M2075-N2077 VanDerWaalsContact C-N 3.31Å; M2075-N2077 PolarHBondContact O-N 3.37Å; M2075-W2078 HydrophobicContact CB-CE3 4.4Å; M2075-W2078 HydrophobicContact CB-CZ3 4.46Å; M2075-W2078 HydrophobicContact CG-CE3 4.13Å; M2075-W2078 HydrophobicContact CG-CH2 4.28Å; M2075-W2078 HydrophobicContact CG-CZ3 3.79Å; M2075-W2078 WeakPolarHBondContact O-CB 3.32Å; M2075-W2078 PolarHBondContact O-N 3.24Å; M2075-W2078 VanDerWaalsContact O-N 3.1Å; M2075-L2079 PolarHBondContact O-N 3.03Å; M2075-Y2093 HydrophobicContact CB-CE2 4.11Å; M2075-Y2093 HydrophobicContact CE-CD2 3.76Å; M2075-Y2093 HydrophobicContact CE-CE2 3.92Å; M2075-Y2093 HydrophobicContact CE-CG 4.49Å; M2075-Y2093 HydrophobicContact CG-CE2 4.45Å; M2075-Y2093 WeakPolarHBondContact O-CE2 3.42Å; M2075-Y2093 PolarHBondContact O-OH 2.99Å; M2075-L2096 HydrophobicContact CE-CB 4.14Å; M2075-L2096 HydrophobicContact CE-CD2 3.61Å; M2075-L2096 HydrophobicContact CE-CG 3.83Å; M2075-L2096 HydrophobicContact SD-CD2 4.19Å; M2075-L2096 HydrophobicContact SD-CG 4.45Å; M2075-L2097 HydrophobicContact CB-CD2 3.81Å; M2075-L2097 HydrophobicContact CB-CG 4.48Å; M2075-L2097 HydrophobicContact CE-CD2 3.79Å; M2075-L2097 HydrophobicContact CE-CG 3.81Å; M2075-L2097 HydrophobicContact CG-CD2 4.48Å; M2075-L2097 HydrophobicContact SD-CD2 4.13Å; M2075-I2100 HydrophobicContact SD-CD1 4.44Å |
| 2076 | F | 86 | Confident | 80.3 | Confident | 12.6 Ų | 12.6 | 39.5 Ų | 39.5 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -33.3 | 174.7 | -86.2 | -76.7 | 0 | 0 | 0 | 111.9 | L2072 E2073 Q2074 W2078 L2079 P2080 L2097 I2101 W2117 I2201 L2205 | L2072-F2076 VanDerWaalsContact O-CD2 3.29Å; L2072-F2076 WeakPolarHBondContact O-CD2 3.39Å; L2072-F2076 PolarHBondContact O-N 3.17Å; E2073-F2076 PolarHBondContact O-N 3.18Å; Q2074-F2076 PolarHBondContact O-N 3.23Å; F2076-W2078 VanDerWaalsContact C-N 3.26Å; F2076-W2078 PolarHBondContact O-N 3.23Å; F2076-W2078 VanDerWaalsContact O-N 3.15Å; F2076-L2079 HydrophobicContact CD1-CD1 3.67Å; F2076-L2079 VanDerWaalsContact CD1-CD1 3.49Å; F2076-L2079 HydrophobicContact CD1-CD2 4.11Å; F2076-L2079 HydrophobicContact CE1-CD1 4.13Å; F2076-L2079 HydrophobicContact CE1-CD2 4.28Å; F2076-L2079 HydrophobicContact CG-CD1 4.34Å; F2076-L2079 VanDerWaalsContact O-CB 3.27Å; F2076-L2079 WeakPolarHBondContact O-CB 3.33Å; F2076-L2079 PolarHBondContact O-N 3.18Å; F2076-L2079 VanDerWaalsContact O-N 3.11Å; F2076-P2080 WeakPolarHBondContact O-CD 3.38Å; F2076-L2097 HydrophobicContact CD2-CD2 4.33Å; F2076-L2097 HydrophobicContact CE2-CD2 4.2Å; F2076-L2097 HydrophobicContact CZ-CD2 4.3Å; F2076-I2101 HydrophobicContact CE2-CD1 4.38Å; F2076-I2101 HydrophobicContact CZ-CD1 4.13Å; F2076-W2117 HydrophobicContact CB-CD2 4.43Å; F2076-W2117 HydrophobicContact CB-CZ2 4.36Å; F2076-W2117 HydrophobicContact CD1-CB 4.43Å; F2076-W2117 HydrophobicContact CD1-CD2 4.3Å; F2076-W2117 HydrophobicContact CD1-CE3 4.38Å; F2076-W2117 HydrophobicContact CD1-CG 4.24Å; F2076-W2117 AromaticContact CD2-CD2 3.75Å; F2076-W2117 HydrophobicContact CD2-CD2 3.98Å; F2076-W2117 AromaticContact CD2-CE2 3.97Å; F2076-W2117 AromaticContact CD2-CE3 3.68Å; F2076-W2117 HydrophobicContact CD2-CE3 3.68Å; F2076-W2117 HydrophobicContact CD2-CG 4.49Å; F2076-W2117 AromaticContact CD2-CH2 3.89Å; F2076-W2117 HydrophobicContact CD2-CH2 3.89Å; F2076-W2117 HydrophobicContact CD2-CZ2 4.17Å; F2076-W2117 AromaticContact CD2-CZ3 3.64Å; F2076-W2117 HydrophobicContact CD2-CZ3 3.64Å; F2076-W2117 HydrophobicContact CE1-CB 4.22Å; F2076-W2117 HydrophobicContact CE1-CD2 4.37Å; F2076-W2117 HydrophobicContact CE1-CE3 4.34Å; F2076-W2117 HydrophobicContact CE1-CG 4.36Å; F2076-W2117 HydrophobicContact CE2-CD2 4.2Å; F2076-W2117 AromaticContact CE2-CE3 3.55Å; F2076-W2117 HydrophobicContact CE2-CE3 3.55Å; F2076-W2117 VanDerWaalsContact CE2-CE3 3.48Å; F2076-W2117 HydrophobicContact CE2-CH2 4.36Å; F2076-W2117 AromaticContact CE2-CZ3 3.65Å; F2076-W2117 HydrophobicContact CE2-CZ3 3.65Å; F2076-W2117 VanDerWaalsContact CE2-CZ3 3.47Å; F2076-W2117 AromaticContact CG-CD2 3.9Å; F2076-W2117 HydrophobicContact CG-CD2 4.06Å; F2076-W2117 AromaticContact CG-CE2 3.95Å; F2076-W2117 HydrophobicContact CG-CE3 4.22Å; F2076-W2117 HydrophobicContact CG-CG 4.33Å; F2076-W2117 HydrophobicContact CG-CZ2 4.42Å; F2076-W2117 HydrophobicContact CG-CZ3 4.47Å; F2076-W2117 HydrophobicContact CZ-CD2 4.42Å; F2076-W2117 AromaticContact CZ-CE3 3.91Å; F2076-W2117 HydrophobicContact CZ-CE3 3.96Å; F2076-W2117 HydrophobicContact CZ-CZ3 4.37Å; F2076-I2201 HydrophobicContact CE1-CG2 3.81Å; F2076-I2201 HydrophobicContact CZ-CG2 3.95Å; F2076-L2205 HydrophobicContact CE1-CD1 4.4Å; F2076-L2205 HydrophobicContact CZ-CD1 4.19Å; F2076-L2205 HydrophobicContact CZ-CD2 4.16Å; F2076-L2205 HydrophobicContact CZ-CG 4.48Å |
| 2077 | N | 83.9 | Confident | 80.6 | Confident | 90.8 Ų | 90.8 | 36.7 Ų | 36.7 | 49% | 0.486 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.1 | -23.5 | 173.4 | -67.8 | -29.2 | 0 | 0 | 0 | 113.6 | E2073 Q2074 M2075 L2079 P2080 | E2073-N2077 VanDerWaalsContact O-CG 3.25Å; E2073-N2077 PolarHBondContact O-N 3.08Å; E2073-N2077 VanDerWaalsContact O-N 3.14Å; E2073-N2077 PolarHBondContact O-ND2 3.01Å; E2073-N2077 VanDerWaalsContact O-ND2 3.15Å; Q2074-N2077 WeakPolarHBondContact O-CB 3.39Å; Q2074-N2077 PolarHBondContact O-N 3.15Å; M2075-N2077 VanDerWaalsContact C-N 3.31Å; M2075-N2077 PolarHBondContact O-N 3.37Å; N2077-L2079 VanDerWaalsContact C-N 3.32Å; N2077-P2080 WeakPolarHBondContact O-CD 3.28Å |
| 2078 | W | 83.9 | Confident | 81 | Confident | 25.2 Ų | 25.2 | 39.5 Ų | 39.5 | 10% | 0.095 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -20.3 | 174.9 | -57.7 | -22.3 | 0 | 0 | 0 | 113.5 | A2031 L2034 Q2035 L2038 F2039 Q2074 M2075 F2076 Y2082 V2083 Y2093 | A2031-W2078 HydrophobicContact CB-CZ2 4.33Å; A2031-W2078 WeakPolarHBondContact O-CZ2 3.04Å; L2034-W2078 HydrophobicContact CB-CH2 4.3Å; Q2035-W2078 HydrophobicContact CB-CD2 4.41Å; Q2035-W2078 HydrophobicContact CB-CH2 3.95Å; Q2035-W2078 HydrophobicContact CB-CZ2 3.78Å; Q2035-W2078 HydrophobicContact CB-CZ3 4.28Å; Q2035-W2078 HydrophobicContact CG-CD2 4.13Å; Q2035-W2078 HydrophobicContact CG-CE3 4.32Å; Q2035-W2078 HydrophobicContact CG-CH2 4.38Å; Q2035-W2078 HydrophobicContact CG-CZ2 4.22Å; Q2035-W2078 HydrophobicContact CG-CZ3 4.47Å; Q2035-W2078 VanDerWaalsContact OE1-NE1 3.11Å; L2038-W2078 HydrophobicContact CD1-CH2 4.41Å; L2038-W2078 HydrophobicContact CD1-CZ3 3.98Å; F2039-W2078 HydrophobicContact CE2-CE3 4.37Å; Q2074-W2078 PolarHBondContact O-N 3.21Å; Q2074-W2078 PolarHBondContact O-NE1 2.82Å; M2075-W2078 HydrophobicContact CB-CE3 4.4Å; M2075-W2078 HydrophobicContact CB-CZ3 4.46Å; M2075-W2078 HydrophobicContact CG-CE3 4.13Å; M2075-W2078 HydrophobicContact CG-CH2 4.28Å; M2075-W2078 HydrophobicContact CG-CZ3 3.79Å; M2075-W2078 WeakPolarHBondContact O-CB 3.32Å; M2075-W2078 PolarHBondContact O-N 3.24Å; M2075-W2078 VanDerWaalsContact O-N 3.1Å; F2076-W2078 VanDerWaalsContact C-N 3.26Å; F2076-W2078 PolarHBondContact O-N 3.23Å; F2076-W2078 VanDerWaalsContact O-N 3.15Å; W2078-Y2082 WeakPolarHBondContact O-CB 3.36Å; W2078-Y2082 PolarHBondContact O-N 3.19Å; W2078-V2083 PolarHBondContact O-N 3.23Å; W2078-Y2093 HydrophobicContact CB-CE2 4.47Å; W2078-Y2093 AromaticContact CE3-CD2 3.94Å; W2078-Y2093 HydrophobicContact CE3-CD2 4.1Å; W2078-Y2093 AromaticContact CE3-CE2 3.82Å; W2078-Y2093 HydrophobicContact CE3-CE2 3.82Å; W2078-Y2093 HydrophobicContact CZ3-CD2 4.41Å; W2078-Y2093 HydrophobicContact CZ3-CE2 4.35Å |
| 2079 | L | 82.4 | Confident | 81.2 | Confident | 10.8 Ų | 10.8 | 40.5 Ų | 40.5 | 6% | 0.057 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -47.2 | -169.6 | -148.3 | 98.5 | 0 | 0 | 0 | 114.1 | M2075 F2076 N2077 N2081 V2083 Y2093 F2094 L2097 E2121 H2198 I2201 | M2075-L2079 PolarHBondContact O-N 3.03Å; F2076-L2079 HydrophobicContact CD1-CD1 3.67Å; F2076-L2079 VanDerWaalsContact CD1-CD1 3.49Å; F2076-L2079 HydrophobicContact CD1-CD2 4.11Å; F2076-L2079 HydrophobicContact CE1-CD1 4.13Å; F2076-L2079 HydrophobicContact CE1-CD2 4.28Å; F2076-L2079 HydrophobicContact CG-CD1 4.34Å; F2076-L2079 VanDerWaalsContact O-CB 3.27Å; F2076-L2079 WeakPolarHBondContact O-CB 3.33Å; F2076-L2079 PolarHBondContact O-N 3.18Å; F2076-L2079 VanDerWaalsContact O-N 3.11Å; N2077-L2079 VanDerWaalsContact C-N 3.32Å; L2079-N2081 VanDerWaalsContact C-N 3.34Å; L2079-N2081 PolarHBondContact O-N 3.21Å; L2079-V2083 HydrophobicContact CD1-CB 4.48Å; L2079-V2083 HydrophobicContact CD1-CG1 4.47Å; L2079-V2083 HydrophobicContact CD1-CG2 4.11Å; L2079-V2083 HydrophobicContact CD2-CG2 4.36Å; L2079-Y2093 WeakPolarHBondContact CB-OH 3.47Å; L2079-Y2093 HydrophobicContact CD1-CE1 4.02Å; L2079-Y2093 HydrophobicContact CD2-CE1 3.81Å; L2079-Y2093 WeakPolarHBondContact CD2-OH 3.3Å; L2079-Y2093 HydrophobicContact CG-CE1 4.29Å; L2079-Y2093 VanDerWaalsContact CG-OH 3.25Å; L2079-Y2093 WeakPolarHBondContact CG-OH 3.43Å; L2079-F2094 HydrophobicContact CD1-CE1 3.84Å; L2079-F2094 HydrophobicContact CD1-CZ 4.18Å; L2079-F2094 HydrophobicContact CD2-CE1 3.95Å; L2079-L2097 HydrophobicContact CD1-CD1 4.27Å; L2079-E2121 VanDerWaalsContact CD2-OE1 3.29Å; L2079-E2121 WeakPolarHBondContact CD2-OE1 3.14Å; L2079-H2198 WeakPolarHBondContact CD2-CE1 3.38Å; L2079-H2198 WeakPolarHBondContact CD2-NE2 3.12Å; L2079-I2201 HydrophobicContact CD1-CD1 4.19Å; L2079-I2201 HydrophobicContact CD2-CD1 3.98Å |
| 2080 | P | 75.4 | Confident | 81.4 | Confident | 56.8 Ų | 56.8 | 39.5 Ų | 39.5 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -30.7 | -172.9 | -19.5 | 34 | 0 | 0 | 0 | 114.3 | F2076 N2077 F2153 I2179 | F2076-P2080 WeakPolarHBondContact O-CD 3.38Å; N2077-P2080 WeakPolarHBondContact O-CD 3.28Å; P2080-F2153 HydrophobicContact CG-CE2 3.94Å; P2080-F2153 HydrophobicContact CG-CZ 3.97Å; P2080-I2179 HydrophobicContact CB-CD1 4.27Å |
| 2081 | N | 75.1 | Confident | 81.7 | Confident | 91.6 Ų | 91.6 | 39.6 Ų | 39.6 | 49% | 0.49 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -48.7 | -167.9 | -65.8 | -44.2 | 0 | 0 | 0 | 113.2 | L2079 S2085 | L2079-N2081 VanDerWaalsContact C-N 3.34Å; L2079-N2081 PolarHBondContact O-N 3.21Å; N2081-S2085 PolarHBondContact O-N 3.19Å |
| 2082 | Y | 79.4 | Confident | 82 | Confident | 49 Ų | 49 | 40.1 Ų | 40.1 | 19% | 0.192 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -83.4 | -42.8 | -169.6 | -169.9 | -105.2 | 0 | 0 | 0 | 112.1 | Q2035 D2036 F2039 W2078 L2084 S2085 K2086 | Q2035-Y2082 HydrophobicContact CG-CD1 3.73Å; Q2035-Y2082 HydrophobicContact CG-CD2 4.45Å; Q2035-Y2082 HydrophobicContact CG-CE1 3.35Å; Q2035-Y2082 VanDerWaalsContact CG-CE1 3.5Å; Q2035-Y2082 HydrophobicContact CG-CE2 4.28Å; Q2035-Y2082 HydrophobicContact CG-CG 4.36Å; Q2035-Y2082 VanDerWaalsContact CG-CZ 3.49Å; Q2035-Y2082 VanDerWaalsContact NE2-CD1 3.27Å; D2036-Y2082 PolarHBondContact OD1-OH 3.21Å; D2036-Y2082 VanDerWaalsContact OD1-OH 3.09Å; F2039-Y2082 HydrophobicContact CB-CE1 3.92Å; F2039-Y2082 HydrophobicContact CD1-CD1 4.37Å; F2039-Y2082 HydrophobicContact CD1-CE1 4.14Å; F2039-Y2082 AromaticContact CD2-CD1 3.87Å; F2039-Y2082 HydrophobicContact CD2-CD1 4.05Å; F2039-Y2082 AromaticContact CD2-CE1 3.54Å; F2039-Y2082 HydrophobicContact CD2-CE1 3.54Å; F2039-Y2082 VanDerWaalsContact CD2-CE1 3.48Å; F2039-Y2082 HydrophobicContact CE1-CD1 4.32Å; F2039-Y2082 HydrophobicContact CE1-CE1 4.45Å; F2039-Y2082 AromaticContact CE2-CD1 3.91Å; F2039-Y2082 HydrophobicContact CE2-CD1 4Å; F2039-Y2082 AromaticContact CE2-CE1 3.96Å; F2039-Y2082 HydrophobicContact CE2-CE1 3.98Å; F2039-Y2082 HydrophobicContact CG-CD1 4.25Å; F2039-Y2082 AromaticContact CG-CE1 3.61Å; F2039-Y2082 HydrophobicContact CG-CE1 3.61Å; F2039-Y2082 HydrophobicContact CZ-CD1 4.16Å; F2039-Y2082 HydrophobicContact CZ-CE1 4.42Å; W2078-Y2082 WeakPolarHBondContact O-CB 3.36Å; W2078-Y2082 PolarHBondContact O-N 3.19Å; Y2082-L2084 VanDerWaalsContact C-N 3.26Å; Y2082-L2084 PolarHBondContact O-N 3.17Å; Y2082-S2085 WeakPolarHBondContact O-CB 3.39Å; Y2082-S2085 PolarHBondContact O-N 3.1Å; Y2082-S2085 PolarHBondContact O-OG 3.03Å; Y2082-K2086 HydrophobicContact CE1-CD 4.04Å; Y2082-K2086 PolarHBondContact O-N 3.15Å; Y2082-K2086 VanDerWaalsContact OH-CE 3.31Å; Y2082-K2086 WeakPolarHBondContact OH-CE 3.49Å; Y2082-K2086 PolarHBondContact OH-NZ 3.17Å |
| 2083 | V | 82.5 | Confident | 82.3 | Confident | 0.4 Ų | 0.4 | 40.1 Ų | 40.1 | 0% | 0.002 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -57.1 | -41.8 | 176 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | F2039 W2078 L2079 S2085 K2086 I2087 Y2093 F2094 L2194 | F2039-V2083 HydrophobicContact CE1-CG2 4.18Å; F2039-V2083 HydrophobicContact CZ-CG2 3.88Å; W2078-V2083 PolarHBondContact O-N 3.23Å; L2079-V2083 HydrophobicContact CD1-CB 4.48Å; L2079-V2083 HydrophobicContact CD1-CG1 4.47Å; L2079-V2083 HydrophobicContact CD1-CG2 4.11Å; L2079-V2083 HydrophobicContact CD2-CG2 4.36Å; V2083-S2085 VanDerWaalsContact C-N 3.27Å; V2083-S2085 PolarHBondContact O-N 3.22Å; V2083-K2086 CarbonylContact O-C 3.55Å; V2083-K2086 VanDerWaalsContact O-C 3.29Å; V2083-K2086 PolarHBondContact O-N 3.13Å; V2083-K2086 VanDerWaalsContact O-N 3.1Å; V2083-I2087 WeakPolarHBondContact O-CA 3.46Å; V2083-I2087 VanDerWaalsContact O-CG1 3.27Å; V2083-I2087 WeakPolarHBondContact O-CG1 3.2Å; V2083-I2087 PolarHBondContact O-N 3.04Å; V2083-I2087 VanDerWaalsContact O-N 3.12Å; V2083-Y2093 HydrophobicContact CG1-CE1 4.44Å; V2083-Y2093 HydrophobicContact CG2-CD1 3.93Å; V2083-Y2093 HydrophobicContact CG2-CE1 3.43Å; V2083-Y2093 VanDerWaalsContact CG2-CE1 3.44Å; V2083-Y2093 HydrophobicContact CG2-CE2 4.4Å; V2083-F2094 HydrophobicContact CG1-CE2 3.93Å; V2083-F2094 HydrophobicContact CG1-CZ 3.79Å; V2083-L2194 HydrophobicContact CG1-CD1 3.92Å; V2083-L2194 HydrophobicContact CG1-CD2 3.81Å |
| 2084 | L | 79.9 | Confident | 82.6 | Confident | 24.2 Ų | 24.2 | 37.1 Ų | 37.1 | 13% | 0.127 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -27.9 | 177.3 | -161 | 62.4 | 0 | 0 | 0 | 113 | Y2082 I2087 I2179 Q2182 F2183 M2186 L2194 | Y2082-L2084 VanDerWaalsContact C-N 3.26Å; Y2082-L2084 PolarHBondContact O-N 3.17Å; L2084-I2087 HydrophobicContact CD1-CD1 4.24Å; L2084-I2087 WeakPolarHBondContact O-CG1 3.45Å; L2084-I2179 HydrophobicContact CD2-CG2 4.09Å; L2084-Q2182 HydrophobicContact CD2-CB 4.03Å; L2084-Q2182 HydrophobicContact CD2-CG 4.41Å; L2084-Q2182 HydrophobicContact CG-CB 4.34Å; L2084-F2183 HydrophobicContact CD1-CD1 4.35Å; L2084-F2183 HydrophobicContact CD1-CE1 4Å; L2084-F2183 HydrophobicContact CD2-CE1 4.03Å; L2084-M2186 HydrophobicContact CD1-CE 3.96Å; L2084-M2186 HydrophobicContact CD1-SD 3.78Å; L2084-M2186 VanDerWaalsContact CD1-SD 3.56Å; L2084-M2186 HydrophobicContact CG-CE 3.97Å; L2084-L2194 HydrophobicContact CD1-CD1 3.94Å; L2084-L2194 HydrophobicContact CD1-CD2 3.63Å |
| 2085 | S | 79.5 | Confident | 83 | Confident | 78.8 Ų | 78.8 | 36.5 Ų | 36.5 | 55% | 0.551 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -83.2 | -17.5 | 176.3 | 78.6 | 0 | 0 | 0 | 0 | 114.6 | N2081 Y2082 V2083 | N2081-S2085 PolarHBondContact O-N 3.19Å; Y2082-S2085 WeakPolarHBondContact O-CB 3.39Å; Y2082-S2085 PolarHBondContact O-N 3.1Å; Y2082-S2085 PolarHBondContact O-OG 3.03Å; V2083-S2085 VanDerWaalsContact C-N 3.27Å; V2083-S2085 PolarHBondContact O-N 3.22Å |
| 2086 | K | 81 | Confident | 83.2 | Confident | 57.4 Ų | 57.4 | 36.1 Ų | 36.1 | 25% | 0.25 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -135.2 | 40.3 | -172.5 | -74.3 | -86 | -172.7 | 168.2 | 0 | 112.3 | D2036 F2039 D2041 Y2082 V2083 T2088 Q2089 S2090 | D2036-K2086 IonicContact OD1-NZ 3.7Å; F2039-K2086 HydrophobicContact CB-CB 4.34Å; F2039-K2086 HydrophobicContact CB-CD 3.43Å; F2039-K2086 VanDerWaalsContact CB-CD 3.43Å; F2039-K2086 HydrophobicContact CB-CG 4.4Å; F2039-K2086 HydrophobicContact CD1-CB 3.66Å; F2039-K2086 HydrophobicContact CD1-CD 4.36Å; F2039-K2086 HydrophobicContact CD1-CG 4.43Å; F2039-K2086 HydrophobicContact CE1-CB 4.37Å; F2039-K2086 HydrophobicContact CG-CB 4.38Å; F2039-K2086 HydrophobicContact CG-CD 4.24Å; F2039-K2086 PolarHBondContact O-NZ 3.27Å; D2041-K2086 IonicContact OD1-NZ 3.01Å; D2041-K2086 PolarHBondContact OD1-NZ 2.88Å; D2041-K2086 IonicContact OD2-NZ 3.7Å; Y2082-K2086 HydrophobicContact CE1-CD 4.04Å; Y2082-K2086 PolarHBondContact O-N 3.15Å; Y2082-K2086 VanDerWaalsContact OH-CE 3.31Å; Y2082-K2086 WeakPolarHBondContact OH-CE 3.49Å; Y2082-K2086 PolarHBondContact OH-NZ 3.17Å; V2083-K2086 CarbonylContact O-C 3.55Å; V2083-K2086 VanDerWaalsContact O-C 3.29Å; V2083-K2086 PolarHBondContact O-N 3.13Å; V2083-K2086 VanDerWaalsContact O-N 3.1Å; K2086-T2088 VanDerWaalsContact C-N 3.31Å; K2086-T2088 PolarHBondContact O-N 2.98Å; K2086-Q2089 VanDerWaalsContact C-OE1 3.28Å; K2086-Q2089 VanDerWaalsContact CD-CD 3.48Å; K2086-Q2089 HydrophobicContact CD-CG 4.37Å; K2086-Q2089 VanDerWaalsContact CD-OE1 3.31Å; K2086-Q2089 PolarHBondContact O-N 3.32Å; K2086-Q2089 PolarHBondContact O-OE1 3.1Å; K2086-S2090 PolarHBondContact O-N 3.12Å; K2086-S2090 VanDerWaalsContact O-N 3.16Å |
| 2087 | I | 80.6 | Confident | 83.3 | Confident | 16.4 Ų | 16.4 | 35.5 Ų | 35.5 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -58 | -42.5 | -171.3 | -94.7 | 172.5 | 0 | 0 | 0 | 112.7 | V2083 L2084 Q2089 S2090 M2186 D2190 T2193 L2194 | V2083-I2087 WeakPolarHBondContact O-CA 3.46Å; V2083-I2087 VanDerWaalsContact O-CG1 3.27Å; V2083-I2087 WeakPolarHBondContact O-CG1 3.2Å; V2083-I2087 PolarHBondContact O-N 3.04Å; V2083-I2087 VanDerWaalsContact O-N 3.12Å; L2084-I2087 HydrophobicContact CD1-CD1 4.24Å; L2084-I2087 WeakPolarHBondContact O-CG1 3.45Å; I2087-Q2089 PolarHBondContact O-N 3.09Å; I2087-Q2089 VanDerWaalsContact O-N 3.09Å; I2087-S2090 WeakPolarHBondContact O-CB 3.32Å; I2087-S2090 PolarHBondContact O-N 3.03Å; I2087-S2090 VanDerWaalsContact O-N 3.11Å; I2087-S2090 PolarHBondContact O-OG 3.06Å; I2087-M2186 HydrophobicContact CD1-CE 3.39Å; I2087-M2186 VanDerWaalsContact CD1-CE 3.43Å; I2087-M2186 HydrophobicContact CD1-CG 4.07Å; I2087-M2186 HydrophobicContact CD1-SD 4.02Å; I2087-M2186 WeakPolarHBondContact CD1-SD 3.14Å; I2087-M2186 HydrophobicContact CG2-CE 4.37Å; I2087-M2186 HydrophobicContact CG2-SD 4.28Å; I2087-D2190 HydrophobicContact CD1-CB 4.14Å; I2087-D2190 WeakPolarHBondContact CD1-O 3.29Å; I2087-D2190 HydrophobicContact CG2-CB 4.17Å; I2087-D2190 WeakPolarHBondContact CG2-OD1 3.38Å; I2087-T2193 HydrophobicContact CG1-CG2 4.4Å; I2087-T2193 HydrophobicContact CG2-CG2 4.09Å; I2087-L2194 HydrophobicContact CB-CD2 4.47Å; I2087-L2194 HydrophobicContact CD1-CB 3.62Å; I2087-L2194 HydrophobicContact CD1-CD1 4.02Å; I2087-L2194 HydrophobicContact CD1-CD2 4.39Å; I2087-L2194 HydrophobicContact CD1-CG 4.28Å; I2087-L2194 HydrophobicContact CG1-CD1 4.4Å; I2087-L2194 HydrophobicContact CG1-CD2 4.2Å; I2087-L2194 HydrophobicContact CG1-CG 4.35Å; I2087-L2194 HydrophobicContact CG2-CB 4.31Å; I2087-L2194 HydrophobicContact CG2-CD2 3.94Å; I2087-L2194 HydrophobicContact CG2-CG 3.95Å |
| 2088 | T | 78.9 | Confident | 83.5 | Confident | 103.8 Ų | 103.8 | 32.9 Ų | 32.9 | 64% | 0.637 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -65.2 | -16.7 | -179.6 | 52.1 | 0 | 0 | 0 | 0 | 114 | K2086 | K2086-T2088 VanDerWaalsContact C-N 3.31Å; K2086-T2088 PolarHBondContact O-N 2.98Å |
| 2089 | Q | 82.7 | Confident | 83.7 | Confident | 23.4 Ų | 23.4 | 35 Ų | 35 | 11% | 0.109 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -101.3 | -13.8 | 176.8 | -61.3 | 98.3 | -6.6 | 0 | 0 | 112.7 | F2039 D2041 R2046 K2086 I2087 D2091 | F2039-Q2089 HydrophobicContact CB-CB 4.38Å; F2039-Q2089 HydrophobicContact CD1-CB 4.38Å; F2039-Q2089 PolarHBondContact O-OE1 3.11Å; D2041-Q2089 PolarHBondContact OD1-NE2 3.29Å; R2046-Q2089 VanDerWaalsContact CD-O 3.29Å; R2046-Q2089 WeakPolarHBondContact CD-O 3.37Å; R2046-Q2089 PolarHBondContact NE-O 3.22Å; K2086-Q2089 VanDerWaalsContact C-OE1 3.28Å; K2086-Q2089 VanDerWaalsContact CD-CD 3.48Å; K2086-Q2089 HydrophobicContact CD-CG 4.37Å; K2086-Q2089 VanDerWaalsContact CD-OE1 3.31Å; K2086-Q2089 PolarHBondContact O-N 3.32Å; K2086-Q2089 PolarHBondContact O-OE1 3.1Å; I2087-Q2089 PolarHBondContact O-N 3.09Å; I2087-Q2089 VanDerWaalsContact O-N 3.09Å; Q2089-D2091 VanDerWaalsContact C-N 3.34Å; Q2089-D2091 PolarHBondContact O-N 3.3Å; Q2089-D2091 VanDerWaalsContact O-N 3.16Å |
| 2090 | S | 86.8 | Confident | 83.8 | Confident | 0.8 Ų | 0.8 | 34.5 Ų | 34.5 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -14.7 | -165.5 | 68.2 | 0 | 0 | 0 | 0 | 117.1 | K2086 I2087 E2092 Y2093 F2094 | K2086-S2090 PolarHBondContact O-N 3.12Å; K2086-S2090 VanDerWaalsContact O-N 3.16Å; I2087-S2090 WeakPolarHBondContact O-CB 3.32Å; I2087-S2090 PolarHBondContact O-N 3.03Å; I2087-S2090 VanDerWaalsContact O-N 3.11Å; I2087-S2090 PolarHBondContact O-OG 3.06Å; S2090-E2092 VanDerWaalsContact C-N 3.29Å; S2090-E2092 PolarHBondContact O-N 3.14Å; S2090-Y2093 WeakPolarHBondContact O-CA 3.49Å; S2090-Y2093 WeakPolarHBondContact O-CB 3.37Å; S2090-Y2093 PolarHBondContact O-N 3.18Å; S2090-Y2093 VanDerWaalsContact O-N 3.12Å; S2090-F2094 VanDerWaalsContact O-CD2 3.29Å; S2090-F2094 WeakPolarHBondContact O-CD2 3.28Å; S2090-F2094 PolarHBondContact O-N 3.1Å; S2090-F2094 WeakPolarHBondContact OG-CE2 3.26Å |
| 2091 | D | 84.7 | Confident | 84.4 | Confident | 59.6 Ų | 59.6 | 31.8 Ų | 31.8 | 32% | 0.319 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.3 | -37.9 | -171.7 | -148.6 | 28 | 0 | 0 | 0 | 113.1 | Q2089 Y2093 F2094 N2095 R2200 K2361 | Q2089-D2091 VanDerWaalsContact C-N 3.34Å; Q2089-D2091 PolarHBondContact O-N 3.3Å; Q2089-D2091 VanDerWaalsContact O-N 3.16Å; D2091-Y2093 VanDerWaalsContact C-N 3.31Å; D2091-Y2093 PolarHBondContact O-N 2.66Å; D2091-F2094 PolarHBondContact O-N 3.06Å; D2091-N2095 VanDerWaalsContact O-CB 3.32Å; D2091-N2095 WeakPolarHBondContact O-CB 3.38Å; D2091-N2095 PolarHBondContact O-N 3.32Å; D2091-N2095 PolarHBondContact O-ND2 3.11Å; D2091-N2095 VanDerWaalsContact O-ND2 3.15Å; D2091-N2095 PolarHBondContact O-OD1 2.82Å; D2091-N2095 PolarHBondContact OD2-ND2 3.45Å; D2091-R2200 IonicContact OD1-CZ 3.29Å; D2091-R2200 VanDerWaalsContact OD1-CZ 3.26Å; D2091-R2200 IonicContact OD1-NH1 2.72Å; D2091-R2200 PolarHBondContact OD1-NH1 3.22Å; D2091-R2200 IonicContact OD1-NH2 3.57Å; D2091-R2200 PolarHBondContact OD1-NH2 3.16Å; D2091-R2200 IonicContact OD2-NH1 3.54Å; D2091-K2361 IonicContact OD1-NZ 3.65Å; D2091-K2361 PolarHBondContact OD1-NZ 2.96Å; D2091-K2361 IonicContact OD2-NZ 2.7Å; D2091-K2361 PolarHBondContact OD2-NZ 3.44Å |
| 2092 | E | 84.9 | Confident | 84.7 | Confident | 18.6 Ų | 18.6 | 30.5 Ų | 30.5 | 9% | 0.087 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72 | -28.4 | 177.6 | -65.2 | -61.7 | 136.2 | 0 | 0 | 112.9 | L2043 R2046 I2047 R2050 S2090 N2095 L2096 | L2043-E2092 HydrophobicContact CD1-CG 4.46Å; R2046-E2092 HydrophobicContact CB-CB 4.04Å; R2046-E2092 HydrophobicContact CB-CG 3.87Å; I2047-E2092 WeakPolarHBondContact CA-OE2 3.25Å; I2047-E2092 HydrophobicContact CG1-CG 4.23Å; I2047-E2092 VanDerWaalsContact CG1-OE2 3.32Å; I2047-E2092 WeakPolarHBondContact CG1-OE2 3.33Å; R2050-E2092 WeakPolarHBondContact CD-O 3.39Å; R2050-E2092 VanDerWaalsContact CD-OE2 3.29Å; R2050-E2092 WeakPolarHBondContact CD-OE2 3.4Å; R2050-E2092 IonicContact CZ-OE1 2.83Å; R2050-E2092 IonicContact CZ-OE2 3.26Å; R2050-E2092 VanDerWaalsContact CZ-OE2 3.23Å; R2050-E2092 IonicContact NE-OE1 2.71Å; R2050-E2092 IonicContact NE-OE2 2.88Å; R2050-E2092 PolarHBondContact NE-OE2 3.15Å; R2050-E2092 IonicContact NH1-OE1 3.1Å; R2050-E2092 PolarHBondContact NH1-OE1 3.25Å; R2050-E2092 IonicContact NH1-OE2 3.88Å; R2050-E2092 PolarHBondContact NH1-OE2 3.47Å; R2050-E2092 VanDerWaalsContact NH2-CD 3.28Å; R2050-E2092 IonicContact NH2-OE1 2.94Å; R2050-E2092 PolarHBondContact NH2-OE1 3.39Å; R2050-E2092 IonicContact NH2-OE2 3.47Å; R2050-E2092 PolarHBondContact NH2-OE2 3.15Å; S2090-E2092 VanDerWaalsContact C-N 3.29Å; S2090-E2092 PolarHBondContact O-N 3.14Å; E2092-N2095 PolarHBondContact OE1-ND2 2.82Å; E2092-N2095 PolarHBondContact OE2-ND2 3.07Å; E2092-L2096 WeakPolarHBondContact O-CB 3.43Å; E2092-L2096 PolarHBondContact O-N 3.2Å |
| 2093 | Y | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.2 | -44.6 | 171.1 | 156 | -87.9 | 0 | 0 | 0 | 111.1 | F2039 M2075 W2078 L2079 V2083 S2090 D2091 N2095 L2096 L2097 | F2039-Y2093 HydrophobicContact CE1-CD1 4.5Å; F2039-Y2093 HydrophobicContact CE1-CG 4.37Å; F2039-Y2093 AromaticContact CE2-CD2 3.8Å; F2039-Y2093 HydrophobicContact CE2-CD2 3.85Å; F2039-Y2093 AromaticContact CE2-CG 3.89Å; F2039-Y2093 HydrophobicContact CE2-CG 3.95Å; F2039-Y2093 VanDerWaalsContact CZ-CB 3.49Å; F2039-Y2093 AromaticContact CZ-CD1 3.87Å; F2039-Y2093 HydrophobicContact CZ-CD1 3.94Å; F2039-Y2093 AromaticContact CZ-CD2 3.76Å; F2039-Y2093 HydrophobicContact CZ-CD2 3.76Å; F2039-Y2093 HydrophobicContact CZ-CE1 4.45Å; F2039-Y2093 HydrophobicContact CZ-CE2 4.35Å; F2039-Y2093 AromaticContact CZ-CG 3.49Å; F2039-Y2093 HydrophobicContact CZ-CG 3.49Å; F2039-Y2093 VanDerWaalsContact CZ-CG 3.43Å; M2075-Y2093 HydrophobicContact CB-CE2 4.11Å; M2075-Y2093 HydrophobicContact CE-CD2 3.76Å; M2075-Y2093 HydrophobicContact CE-CE2 3.92Å; M2075-Y2093 HydrophobicContact CE-CG 4.49Å; M2075-Y2093 HydrophobicContact CG-CE2 4.45Å; M2075-Y2093 WeakPolarHBondContact O-CE2 3.42Å; M2075-Y2093 PolarHBondContact O-OH 2.99Å; W2078-Y2093 HydrophobicContact CB-CE2 4.47Å; W2078-Y2093 AromaticContact CE3-CD2 3.94Å; W2078-Y2093 HydrophobicContact CE3-CD2 4.1Å; W2078-Y2093 AromaticContact CE3-CE2 3.82Å; W2078-Y2093 HydrophobicContact CE3-CE2 3.82Å; W2078-Y2093 HydrophobicContact CZ3-CD2 4.41Å; W2078-Y2093 HydrophobicContact CZ3-CE2 4.35Å; L2079-Y2093 WeakPolarHBondContact CB-OH 3.47Å; L2079-Y2093 HydrophobicContact CD1-CE1 4.02Å; L2079-Y2093 HydrophobicContact CD2-CE1 3.81Å; L2079-Y2093 WeakPolarHBondContact CD2-OH 3.3Å; L2079-Y2093 HydrophobicContact CG-CE1 4.29Å; L2079-Y2093 VanDerWaalsContact CG-OH 3.25Å; L2079-Y2093 WeakPolarHBondContact CG-OH 3.43Å; V2083-Y2093 HydrophobicContact CG1-CE1 4.44Å; V2083-Y2093 HydrophobicContact CG2-CD1 3.93Å; V2083-Y2093 HydrophobicContact CG2-CE1 3.43Å; V2083-Y2093 VanDerWaalsContact CG2-CE1 3.44Å; V2083-Y2093 HydrophobicContact CG2-CE2 4.4Å; S2090-Y2093 WeakPolarHBondContact O-CA 3.49Å; S2090-Y2093 WeakPolarHBondContact O-CB 3.37Å; S2090-Y2093 PolarHBondContact O-N 3.18Å; S2090-Y2093 VanDerWaalsContact O-N 3.12Å; D2091-Y2093 VanDerWaalsContact C-N 3.31Å; D2091-Y2093 PolarHBondContact O-N 2.66Å; Y2093-N2095 VanDerWaalsContact C-N 3.34Å; Y2093-N2095 PolarHBondContact O-N 3.02Å; Y2093-L2096 WeakPolarHBondContact O-CB 3.4Å; Y2093-L2096 PolarHBondContact O-N 3.13Å; Y2093-L2096 VanDerWaalsContact O-N 3.15Å; Y2093-L2097 HydrophobicContact CD1-CD1 4.4Å; Y2093-L2097 HydrophobicContact CE1-CD1 3.84Å; Y2093-L2097 HydrophobicContact CE2-CD1 4.13Å; Y2093-L2097 HydrophobicContact CE2-CG 4.45Å; Y2093-L2097 PolarHBondContact O-N 3.14Å; Y2093-L2097 VanDerWaalsContact O-N 3.08Å |
| 2094 | F | 90.5 | Very high | 84.7 | Confident | 0.2 Ų | 0.2 | 32.2 Ų | 32.2 | 0% | 0.001 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 173.9 | -75.8 | -64.5 | 0 | 0 | 0 | 111.4 | L2079 V2083 S2090 D2091 L2096 L2097 V2098 L2194 G2197 H2198 I2201 | L2079-F2094 HydrophobicContact CD1-CE1 3.84Å; L2079-F2094 HydrophobicContact CD1-CZ 4.18Å; L2079-F2094 HydrophobicContact CD2-CE1 3.95Å; V2083-F2094 HydrophobicContact CG1-CE2 3.93Å; V2083-F2094 HydrophobicContact CG1-CZ 3.79Å; S2090-F2094 VanDerWaalsContact O-CD2 3.29Å; S2090-F2094 WeakPolarHBondContact O-CD2 3.28Å; S2090-F2094 PolarHBondContact O-N 3.1Å; S2090-F2094 WeakPolarHBondContact OG-CE2 3.26Å; D2091-F2094 PolarHBondContact O-N 3.06Å; F2094-L2096 VanDerWaalsContact C-N 3.31Å; F2094-L2096 PolarHBondContact O-N 3.01Å; F2094-L2097 PolarHBondContact O-N 3.16Å; F2094-V2098 WeakPolarHBondContact O-CB 3.3Å; F2094-V2098 WeakPolarHBondContact O-CG2 3.32Å; F2094-V2098 PolarHBondContact O-N 3.05Å; F2094-V2098 VanDerWaalsContact O-N 3.09Å; F2094-L2194 HydrophobicContact CE2-CD1 4.3Å; F2094-L2194 HydrophobicContact CE2-CD2 4.25Å; F2094-L2194 HydrophobicContact CZ-CD1 4.17Å; F2094-L2194 HydrophobicContact CZ-CD2 4.25Å; F2094-G2197 VanDerWaalsContact CD1-C 3.47Å; F2094-G2197 VanDerWaalsContact CD1-CA 3.44Å; F2094-G2197 VanDerWaalsContact CE1-C 3.47Å; F2094-G2197 VanDerWaalsContact CE1-CA 3.43Å; F2094-G2197 VanDerWaalsContact CG-CA 3.46Å; F2094-H2198 AromaticContact CZ-CD2 3.91Å; F2094-I2201 HydrophobicContact CD1-CD1 3.68Å; F2094-I2201 HydrophobicContact CD1-CG1 4.11Å; F2094-I2201 HydrophobicContact CE1-CD1 3.68Å; F2094-I2201 HydrophobicContact CE1-CG1 4.44Å |
| 2095 | N | 88.7 | Confident | 84.6 | Confident | 38.2 Ų | 38.2 | 33.5 Ų | 33.5 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -37.2 | 175.7 | -69.1 | -27.9 | 0 | 0 | 0 | 112.1 | D2091 E2092 Y2093 V2098 Q2099 R2200 | D2091-N2095 VanDerWaalsContact O-CB 3.32Å; D2091-N2095 WeakPolarHBondContact O-CB 3.38Å; D2091-N2095 PolarHBondContact O-N 3.32Å; D2091-N2095 PolarHBondContact O-ND2 3.11Å; D2091-N2095 VanDerWaalsContact O-ND2 3.15Å; D2091-N2095 PolarHBondContact O-OD1 2.82Å; D2091-N2095 PolarHBondContact OD2-ND2 3.45Å; E2092-N2095 PolarHBondContact OE1-ND2 2.82Å; E2092-N2095 PolarHBondContact OE2-ND2 3.07Å; Y2093-N2095 VanDerWaalsContact C-N 3.34Å; Y2093-N2095 PolarHBondContact O-N 3.02Å; N2095-V2098 PolarHBondContact O-N 3.09Å; N2095-Q2099 WeakPolarHBondContact O-CB 3.41Å; N2095-Q2099 VanDerWaalsContact O-CD 3.25Å; N2095-Q2099 VanDerWaalsContact O-CG 3.25Å; N2095-Q2099 WeakPolarHBondContact O-CG 3.27Å; N2095-Q2099 PolarHBondContact O-N 3.29Å; N2095-Q2099 PolarHBondContact O-OE1 3.11Å; N2095-R2200 PolarHBondContact OD1-NH1 2.98Å |
| 2096 | L | 89 | Confident | 84.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -49.5 | 176.5 | -176.6 | 57.5 | 0 | 0 | 0 | 112 | L2038 R2050 L2053 H2054 M2075 E2092 Y2093 F2094 V2098 Q2099 I2100 | L2038-L2096 HydrophobicContact CD1-CD2 3.9Å; L2038-L2096 HydrophobicContact CD2-CD2 3.92Å; R2050-L2096 HydrophobicContact CB-CB 4.46Å; R2050-L2096 HydrophobicContact CG-CB 3.98Å; R2050-L2096 HydrophobicContact CG-CD1 4.05Å; R2050-L2096 HydrophobicContact CG-CG 4.45Å; R2050-L2096 WeakPolarHBondContact O-CD1 3.28Å; L2053-L2096 HydrophobicContact CB-CD1 4.09Å; L2053-L2096 HydrophobicContact CB-CD2 3.83Å; L2053-L2096 HydrophobicContact CD1-CD2 3.62Å; L2053-L2096 HydrophobicContact CG-CD2 4.37Å; H2054-L2096 HydrophobicContact CB-CD1 3.92Å; M2075-L2096 HydrophobicContact CE-CB 4.14Å; M2075-L2096 HydrophobicContact CE-CD2 3.61Å; M2075-L2096 HydrophobicContact CE-CG 3.83Å; M2075-L2096 HydrophobicContact SD-CD2 4.19Å; M2075-L2096 HydrophobicContact SD-CG 4.45Å; E2092-L2096 WeakPolarHBondContact O-CB 3.43Å; E2092-L2096 PolarHBondContact O-N 3.2Å; Y2093-L2096 WeakPolarHBondContact O-CB 3.4Å; Y2093-L2096 PolarHBondContact O-N 3.13Å; Y2093-L2096 VanDerWaalsContact O-N 3.15Å; F2094-L2096 VanDerWaalsContact C-N 3.31Å; F2094-L2096 PolarHBondContact O-N 3.01Å; L2096-V2098 VanDerWaalsContact C-N 3.34Å; L2096-V2098 PolarHBondContact O-N 3.12Å; L2096-Q2099 PolarHBondContact O-N 3.14Å; L2096-Q2099 VanDerWaalsContact O-N 3.14Å; L2096-I2100 HydrophobicContact CD1-CD1 3.63Å; L2096-I2100 HydrophobicContact CD1-CG1 4.13Å; L2096-I2100 HydrophobicContact CG-CD1 3.72Å; L2096-I2100 WeakPolarHBondContact O-CD1 3.36Å; L2096-I2100 VanDerWaalsContact O-CG1 3.3Å; L2096-I2100 WeakPolarHBondContact O-CG1 3.4Å; L2096-I2100 PolarHBondContact O-N 3.01Å; L2096-I2100 VanDerWaalsContact O-N 3.09Å |
| 2097 | L | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.9 | -49.8 | 176.1 | -78.6 | 178.4 | 0 | 0 | 0 | 111.7 | L2072 M2075 F2076 L2079 Y2093 F2094 Q2099 I2100 I2101 I2201 | L2072-L2097 HydrophobicContact CD2-CD2 3.71Å; M2075-L2097 HydrophobicContact CB-CD2 3.81Å; M2075-L2097 HydrophobicContact CB-CG 4.48Å; M2075-L2097 HydrophobicContact CE-CD2 3.79Å; M2075-L2097 HydrophobicContact CE-CG 3.81Å; M2075-L2097 HydrophobicContact CG-CD2 4.48Å; M2075-L2097 HydrophobicContact SD-CD2 4.13Å; F2076-L2097 HydrophobicContact CD2-CD2 4.33Å; F2076-L2097 HydrophobicContact CE2-CD2 4.2Å; F2076-L2097 HydrophobicContact CZ-CD2 4.3Å; L2079-L2097 HydrophobicContact CD1-CD1 4.27Å; Y2093-L2097 HydrophobicContact CD1-CD1 4.4Å; Y2093-L2097 HydrophobicContact CE1-CD1 3.84Å; Y2093-L2097 HydrophobicContact CE2-CD1 4.13Å; Y2093-L2097 HydrophobicContact CE2-CG 4.45Å; Y2093-L2097 PolarHBondContact O-N 3.14Å; Y2093-L2097 VanDerWaalsContact O-N 3.08Å; F2094-L2097 PolarHBondContact O-N 3.16Å; L2097-Q2099 PolarHBondContact O-N 3.07Å; L2097-I2100 PolarHBondContact O-N 3.39Å; L2097-I2100 VanDerWaalsContact O-N 3.16Å; L2097-I2101 HydrophobicContact CB-CD1 4.39Å; L2097-I2101 WeakPolarHBondContact O-CB 3.39Å; L2097-I2101 WeakPolarHBondContact O-CD1 3.31Å; L2097-I2101 VanDerWaalsContact O-CG1 3.26Å; L2097-I2101 WeakPolarHBondContact O-CG1 3.32Å; L2097-I2101 PolarHBondContact O-N 3.1Å; L2097-I2201 HydrophobicContact CD1-CD1 3.65Å; L2097-I2201 HydrophobicContact CD1-CG1 4.18Å |
| 2098 | V | 88.9 | Confident | 84.1 | Confident | 36.6 Ų | 36.6 | 38.6 Ų | 38.6 | 22% | 0.222 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -32.8 | -179.2 | 168.3 | 0 | 0 | 0 | 0 | 112.2 | F2094 N2095 L2096 P2102 R2200 S2204 | F2094-V2098 WeakPolarHBondContact O-CB 3.3Å; F2094-V2098 WeakPolarHBondContact O-CG2 3.32Å; F2094-V2098 PolarHBondContact O-N 3.05Å; F2094-V2098 VanDerWaalsContact O-N 3.09Å; N2095-V2098 PolarHBondContact O-N 3.09Å; L2096-V2098 VanDerWaalsContact C-N 3.34Å; L2096-V2098 PolarHBondContact O-N 3.12Å; V2098-P2102 VanDerWaalsContact O-CD 3.26Å; V2098-P2102 WeakPolarHBondContact O-CD 3.43Å; V2098-R2200 HydrophobicContact CG2-CB 3.63Å; V2098-S2204 PolarHBondContact O-OG 3.14Å |
| 2099 | Q | 86.6 | Confident | 84.1 | Confident | 67.4 Ų | 67.4 | 38.4 Ų | 38.4 | 32% | 0.315 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -78.3 | -35.3 | 177 | -73.5 | 170.9 | -11.6 | 0 | 0 | 113 | R2050 H2054 N2095 L2096 L2097 F2103 | R2050-Q2099 VanDerWaalsContact NH1-NE2 3.18Å; H2054-Q2099 VanDerWaalsContact CD2-CB 3.5Å; H2054-Q2099 WeakPolarHBondContact CD2-CB 3.49Å; N2095-Q2099 WeakPolarHBondContact O-CB 3.41Å; N2095-Q2099 VanDerWaalsContact O-CD 3.25Å; N2095-Q2099 VanDerWaalsContact O-CG 3.25Å; N2095-Q2099 WeakPolarHBondContact O-CG 3.27Å; N2095-Q2099 PolarHBondContact O-N 3.29Å; N2095-Q2099 PolarHBondContact O-OE1 3.11Å; L2096-Q2099 PolarHBondContact O-N 3.14Å; L2096-Q2099 VanDerWaalsContact O-N 3.14Å; L2097-Q2099 PolarHBondContact O-N 3.07Å; Q2099-F2103 VanDerWaalsContact O-CD2 3.27Å; Q2099-F2103 WeakPolarHBondContact O-CD2 3.38Å; Q2099-F2103 VanDerWaalsContact O-CE2 3.24Å; Q2099-F2103 WeakPolarHBondContact O-CE2 3.28Å |
| 2100 | I | 85.5 | Confident | 84.1 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -80.7 | -39.8 | -178.1 | -58.3 | 158 | 0 | 0 | 0 | 112.1 | L2057 A2068 L2072 M2075 L2096 L2097 P2102 F2103 M2104 | L2057-I2100 HydrophobicContact CD1-CD1 3.57Å; L2057-I2100 HydrophobicContact CD1-CG1 4.39Å; A2068-I2100 HydrophobicContact CB-CG2 4.44Å; L2072-I2100 HydrophobicContact CD1-CG2 3.91Å; L2072-I2100 HydrophobicContact CD2-CB 4.12Å; L2072-I2100 HydrophobicContact CD2-CD1 4.41Å; L2072-I2100 HydrophobicContact CD2-CG2 3.96Å; L2072-I2100 HydrophobicContact CG-CG2 4.08Å; M2075-I2100 HydrophobicContact SD-CD1 4.44Å; L2096-I2100 HydrophobicContact CD1-CD1 3.63Å; L2096-I2100 HydrophobicContact CD1-CG1 4.13Å; L2096-I2100 HydrophobicContact CG-CD1 3.72Å; L2096-I2100 WeakPolarHBondContact O-CD1 3.36Å; L2096-I2100 VanDerWaalsContact O-CG1 3.3Å; L2096-I2100 WeakPolarHBondContact O-CG1 3.4Å; L2096-I2100 PolarHBondContact O-N 3.01Å; L2096-I2100 VanDerWaalsContact O-N 3.09Å; L2097-I2100 PolarHBondContact O-N 3.39Å; L2097-I2100 VanDerWaalsContact O-N 3.16Å; I2100-P2102 VanDerWaalsContact C-CD 3.47Å; I2100-P2102 VanDerWaalsContact C-N 3.34Å; I2100-P2102 VanDerWaalsContact O-N 3.14Å; I2100-F2103 WeakPolarHBondContact O-CA 3.47Å; I2100-F2103 WeakPolarHBondContact O-CB 3.41Å; I2100-F2103 PolarHBondContact O-N 3.27Å; I2100-M2104 HydrophobicContact CG2-CG 4.42Å; I2100-M2104 PolarHBondContact O-N 3.05Å |
| 2101 | I | 86.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -49.5 | -44.8 | -174.2 | -75.5 | 161.5 | 0 | 0 | 0 | 113.8 | L2072 F2076 L2097 F2103 M2104 F2110 S2204 L2205 C2208 | L2072-I2101 HydrophobicContact CD2-CG1 4.26Å; F2076-I2101 HydrophobicContact CE2-CD1 4.38Å; F2076-I2101 HydrophobicContact CZ-CD1 4.13Å; L2097-I2101 HydrophobicContact CB-CD1 4.39Å; L2097-I2101 WeakPolarHBondContact O-CB 3.39Å; L2097-I2101 WeakPolarHBondContact O-CD1 3.31Å; L2097-I2101 VanDerWaalsContact O-CG1 3.26Å; L2097-I2101 WeakPolarHBondContact O-CG1 3.32Å; L2097-I2101 PolarHBondContact O-N 3.1Å; I2101-F2103 VanDerWaalsContact C-N 3.29Å; I2101-F2103 PolarHBondContact O-N 3.1Å; I2101-F2103 VanDerWaalsContact O-N 3.17Å; I2101-M2104 WeakPolarHBondContact O-CB 3.37Å; I2101-M2104 PolarHBondContact O-N 2.95Å; I2101-M2104 VanDerWaalsContact O-N 3.09Å; I2101-F2110 HydrophobicContact CB-CZ 4.4Å; I2101-F2110 HydrophobicContact CG1-CZ 4.33Å; I2101-F2110 HydrophobicContact CG2-CE1 4.41Å; I2101-F2110 HydrophobicContact CG2-CZ 4.12Å; I2101-S2204 WeakPolarHBondContact CB-OG 3.12Å; I2101-S2204 VanDerWaalsContact CG2-C 3.48Å; I2101-S2204 WeakPolarHBondContact CG2-O 3.29Å; I2101-S2204 WeakPolarHBondContact CG2-OG 3.48Å; I2101-L2205 HydrophobicContact CD1-CD2 3.96Å; I2101-L2205 HydrophobicContact CD1-CG 4.24Å; I2101-L2205 HydrophobicContact CG1-CD2 4.3Å; I2101-L2205 HydrophobicContact CG2-CD2 4.11Å; I2101-C2208 HydrophobicContact CG2-CB 3.85Å; I2101-C2208 PolarHBondContact O-SG 3.28Å |
| 2102 | P | 82.6 | Confident | 83.5 | Confident | 62.8 Ų | 62.8 | 42 Ų | 42 | 41% | 0.408 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -62.4 | -23.2 | 179.1 | -25.5 | 36.2 | 0 | 0 | 0 | 115.1 | V2098 I2100 M2104 H2105 S2204 | V2098-P2102 VanDerWaalsContact O-CD 3.26Å; V2098-P2102 WeakPolarHBondContact O-CD 3.43Å; I2100-P2102 VanDerWaalsContact C-CD 3.47Å; I2100-P2102 VanDerWaalsContact C-N 3.34Å; I2100-P2102 VanDerWaalsContact O-N 3.14Å; P2102-M2104 VanDerWaalsContact C-N 3.25Å; P2102-M2104 PolarHBondContact O-N 3.16Å; P2102-H2105 VanDerWaalsContact O-CB 3.29Å; P2102-H2105 WeakPolarHBondContact O-CB 3.39Å; P2102-H2105 PolarHBondContact O-ND1 3.25Å; P2102-S2204 WeakPolarHBondContact CD-OG 3.11Å |
| 2103 | F | 80.3 | Confident | 83.4 | Confident | 84.6 Ų | 84.6 | 42.4 Ų | 42.4 | 37% | 0.371 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -72.9 | -21.1 | 177.2 | -81.2 | -88.8 | 0 | 0 | 0 | 112.6 | H2054 L2057 T2058 R2065 Q2099 I2100 I2101 H2105 | H2054-F2103 AromaticContact NE2-CE2 3.84Å; L2057-F2103 VanDerWaalsContact O-CE1 3.3Å; L2057-F2103 WeakPolarHBondContact O-CE1 3.24Å; T2058-F2103 HydrophobicContact CG2-CB 4.41Å; T2058-F2103 HydrophobicContact CG2-CD1 4.26Å; T2058-F2103 HydrophobicContact CG2-CD2 3.76Å; T2058-F2103 HydrophobicContact CG2-CE1 4.13Å; T2058-F2103 HydrophobicContact CG2-CE2 3.66Å; T2058-F2103 VanDerWaalsContact CG2-CE2 3.47Å; T2058-F2103 HydrophobicContact CG2-CG 4.1Å; T2058-F2103 HydrophobicContact CG2-CZ 3.74Å; T2058-F2103 WeakPolarHBondContact O-CZ 3.33Å; R2065-F2103 PolarHBondContact NH1-O 3.18Å; R2065-F2103 PolarHBondContact NH2-O 3.28Å; Q2099-F2103 VanDerWaalsContact O-CD2 3.27Å; Q2099-F2103 WeakPolarHBondContact O-CD2 3.38Å; Q2099-F2103 VanDerWaalsContact O-CE2 3.24Å; Q2099-F2103 WeakPolarHBondContact O-CE2 3.28Å; I2100-F2103 WeakPolarHBondContact O-CA 3.47Å; I2100-F2103 WeakPolarHBondContact O-CB 3.41Å; I2100-F2103 PolarHBondContact O-N 3.27Å; I2101-F2103 VanDerWaalsContact C-N 3.29Å; I2101-F2103 PolarHBondContact O-N 3.1Å; I2101-F2103 VanDerWaalsContact O-N 3.17Å; F2103-H2105 PolarHBondContact O-N 3.34Å |
| 2104 | M | 81.1 | Confident | 83 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -87.8 | 3.8 | -174.5 | -60.3 | -59.5 | -72.2 | 0 | 0 | 115 | R2065 A2068 Y2069 L2072 I2100 I2101 P2102 N2106 H2107 F2110 | R2065-M2104 HydrophobicContact CB-CE 4.35Å; R2065-M2104 HydrophobicContact CB-SD 4.45Å; R2065-M2104 WeakPolarHBondContact O-CE 3.4Å; A2068-M2104 HydrophobicContact CB-CE 4.36Å; A2068-M2104 HydrophobicContact CB-SD 3.86Å; Y2069-M2104 HydrophobicContact CD2-CE 4.47Å; L2072-M2104 HydrophobicContact CD1-CE 4.38Å; L2072-M2104 HydrophobicContact CD1-CG 3.65Å; L2072-M2104 HydrophobicContact CD1-SD 4.26Å; I2100-M2104 HydrophobicContact CG2-CG 4.42Å; I2100-M2104 PolarHBondContact O-N 3.05Å; I2101-M2104 WeakPolarHBondContact O-CB 3.37Å; I2101-M2104 PolarHBondContact O-N 2.95Å; I2101-M2104 VanDerWaalsContact O-N 3.09Å; P2102-M2104 VanDerWaalsContact C-N 3.25Å; P2102-M2104 PolarHBondContact O-N 3.16Å; M2104-N2106 PolarHBondContact O-N 3.09Å; M2104-H2107 HydrophobicContact CE-CB 3.95Å; M2104-H2107 WeakPolarHBondContact O-CB 3.29Å; M2104-H2107 PolarHBondContact O-N 3.19Å; M2104-F2110 HydrophobicContact CB-CB 4.27Å; M2104-F2110 HydrophobicContact CB-CD1 3.4Å; M2104-F2110 HydrophobicContact CB-CD2 3.93Å; M2104-F2110 HydrophobicContact CB-CE1 3.63Å; M2104-F2110 HydrophobicContact CB-CE2 4.11Å; M2104-F2110 HydrophobicContact CB-CG 3.58Å; M2104-F2110 VanDerWaalsContact CB-CG 3.5Å; M2104-F2110 HydrophobicContact CB-CZ 3.98Å; M2104-F2110 HydrophobicContact CE-CB 4.03Å; M2104-F2110 HydrophobicContact CE-CD2 4.32Å; M2104-F2110 HydrophobicContact CE-CG 4.29Å; M2104-F2110 HydrophobicContact CG-CD1 4.39Å; M2104-F2110 HydrophobicContact CG-CD2 4.15Å; M2104-F2110 HydrophobicContact CG-CE2 4.23Å; M2104-F2110 HydrophobicContact CG-CG 4.24Å; M2104-F2110 HydrophobicContact CG-CZ 4.43Å |
| 2105 | H | 77.7 | Confident | 82.3 | Confident | 50.8 Ų | 50.8 | 45.4 Ų | 45.4 | 24% | 0.235 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -21.3 | -173.5 | 74.7 | -80.9 | 0 | 0 | 0 | 116.6 | P2102 F2103 C2208 D2211 S2212 | P2102-H2105 VanDerWaalsContact O-CB 3.29Å; P2102-H2105 WeakPolarHBondContact O-CB 3.39Å; P2102-H2105 PolarHBondContact O-ND1 3.25Å; F2103-H2105 PolarHBondContact O-N 3.34Å; H2105-C2208 WeakPolarHBondContact CA-SG 3.44Å; H2105-C2208 PolarHBondContact N-SG 3.21Å; H2105-C2208 VanDerWaalsContact N-SG 3.39Å; H2105-D2211 HydrophobicContact CB-CB 4.4Å; H2105-S2212 VanDerWaalsContact O-CA 3.28Å; H2105-S2212 WeakPolarHBondContact O-CA 3.31Å; H2105-S2212 VanDerWaalsContact O-CB 3.25Å; H2105-S2212 WeakPolarHBondContact O-CB 3.38Å |
| 2106 | N | 75 | Confident | 81.9 | Confident | 95.2 Ų | 95.2 | 48 Ų | 48 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 19.7 | 176.9 | -62.4 | -34.9 | 0 | 0 | 0 | 113.2 | M2104 T2213 | M2104-N2106 PolarHBondContact O-N 3.09Å; N2106-T2213 PolarHBondContact OD1-OG1 3.29Å |
| 2107 | H | 79.6 | Confident | 81.6 | Confident | 19.8 Ų | 19.8 | 49.8 Ų | 49.8 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | trans | -108 | 104.9 | -177.2 | -170.3 | -98 | 0 | 0 | 0 | 111 | D2066 Y2069 M2104 Q2109 F2110 L2111 | D2066-H2107 IonicContact OD1-CE1 3.93Å; D2066-H2107 IonicContact OD1-NE2 3.44Å; D2066-H2107 PolarHBondContact OD1-NE2 3.33Å; Y2069-H2107 AromaticContact CD1-CE1 3.85Å; Y2069-H2107 AromaticContact CG-CE1 3.73Å; M2104-H2107 HydrophobicContact CE-CB 3.95Å; M2104-H2107 WeakPolarHBondContact O-CB 3.29Å; M2104-H2107 PolarHBondContact O-N 3.19Å; H2107-Q2109 VanDerWaalsContact C-N 3.33Å; H2107-Q2109 PolarHBondContact O-N 3.24Å; H2107-F2110 HydrophobicContact CB-CB 3.95Å; H2107-F2110 VanDerWaalsContact ND1-CB 3.28Å; H2107-F2110 WeakPolarHBondContact ND1-CB 3.36Å; H2107-F2110 PolarHBondContact ND1-N 3.08Å; H2107-F2110 VanDerWaalsContact ND1-N 3.16Å; H2107-F2110 WeakPolarHBondContact O-CA 3.42Å; H2107-F2110 WeakPolarHBondContact O-CB 3.4Å; H2107-F2110 PolarHBondContact O-N 3.1Å; H2107-L2111 WeakPolarHBondContact O-CG 3.44Å; H2107-L2111 PolarHBondContact O-N 3.24Å | ||
| 2108 | E | 76.1 | Confident | 81.3 | Confident | 145.4 Ų | 145.4 | 50.1 Ų | 50.1 | 68% | 0.679 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -56.7 | -46.8 | -169 | -101.5 | -179.1 | 175.2 | 0 | 0 | 113.6 | F2110 L2111 Q2112 | E2108-F2110 VanDerWaalsContact C-N 3.29Å; E2108-F2110 PolarHBondContact O-N 3.02Å; E2108-L2111 PolarHBondContact O-N 3.25Å; E2108-L2111 VanDerWaalsContact O-N 3.15Å; E2108-Q2112 WeakPolarHBondContact O-CG 3.27Å; E2108-Q2112 PolarHBondContact O-N 3.17Å; E2108-Q2112 VanDerWaalsContact O-N 3.13Å |
| 2109 | Q | 78.8 | Confident | 80.8 | Confident | 99.2 Ų | 99.2 | 53.3 Ų | 53.3 | 46% | 0.464 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64 | -34.1 | 177.2 | -100.1 | 179.3 | 7.2 | 0 | 0 | 112.2 | Y2069 H2107 Q2112 S2113 | Y2069-Q2109 HydrophobicContact CD1-CB 4.38Å; Y2069-Q2109 HydrophobicContact CE1-CB 3.98Å; Y2069-Q2109 VanDerWaalsContact CE1-CD 3.49Å; Y2069-Q2109 HydrophobicContact CE1-CG 3.99Å; Y2069-Q2109 HydrophobicContact CE2-CG 4.42Å; Y2069-Q2109 PolarHBondContact OH-O 3.24Å; H2107-Q2109 VanDerWaalsContact C-N 3.33Å; H2107-Q2109 PolarHBondContact O-N 3.24Å; Q2109-Q2112 PolarHBondContact O-N 3.44Å; Q2109-S2113 PolarHBondContact O-N 3.04Å; Q2109-S2113 VanDerWaalsContact O-N 3.13Å; Q2109-S2113 PolarHBondContact O-OG 3.32Å; Q2109-S2113 VanDerWaalsContact O-OG 3.13Å |
| 2110 | F | 82.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69 | -42.8 | 175.3 | 170.3 | -91.4 | 0 | 0 | 0 | 110.8 | Y2069 L2072 I2101 M2104 H2107 E2108 Q2112 S2113 A2114 W2117 L2205 | Y2069-F2110 HydrophobicContact CD2-CB 3.82Å; Y2069-F2110 HydrophobicContact CD2-CD2 4.19Å; Y2069-F2110 HydrophobicContact CD2-CG 4.46Å; Y2069-F2110 HydrophobicContact CE2-CB 4.29Å; L2072-F2110 HydrophobicContact CD1-CD2 4.05Å; L2072-F2110 HydrophobicContact CD1-CE2 3.79Å; I2101-F2110 HydrophobicContact CB-CZ 4.4Å; I2101-F2110 HydrophobicContact CG1-CZ 4.33Å; I2101-F2110 HydrophobicContact CG2-CE1 4.41Å; I2101-F2110 HydrophobicContact CG2-CZ 4.12Å; M2104-F2110 HydrophobicContact CB-CB 4.27Å; M2104-F2110 HydrophobicContact CB-CD1 3.4Å; M2104-F2110 HydrophobicContact CB-CD2 3.93Å; M2104-F2110 HydrophobicContact CB-CE1 3.63Å; M2104-F2110 HydrophobicContact CB-CE2 4.11Å; M2104-F2110 HydrophobicContact CB-CG 3.58Å; M2104-F2110 VanDerWaalsContact CB-CG 3.5Å; M2104-F2110 HydrophobicContact CB-CZ 3.98Å; M2104-F2110 HydrophobicContact CE-CB 4.03Å; M2104-F2110 HydrophobicContact CE-CD2 4.32Å; M2104-F2110 HydrophobicContact CE-CG 4.29Å; M2104-F2110 HydrophobicContact CG-CD1 4.39Å; M2104-F2110 HydrophobicContact CG-CD2 4.15Å; M2104-F2110 HydrophobicContact CG-CE2 4.23Å; M2104-F2110 HydrophobicContact CG-CG 4.24Å; M2104-F2110 HydrophobicContact CG-CZ 4.43Å; H2107-F2110 HydrophobicContact CB-CB 3.95Å; H2107-F2110 VanDerWaalsContact ND1-CB 3.28Å; H2107-F2110 WeakPolarHBondContact ND1-CB 3.36Å; H2107-F2110 PolarHBondContact ND1-N 3.08Å; H2107-F2110 VanDerWaalsContact ND1-N 3.16Å; H2107-F2110 WeakPolarHBondContact O-CA 3.42Å; H2107-F2110 WeakPolarHBondContact O-CB 3.4Å; H2107-F2110 PolarHBondContact O-N 3.1Å; E2108-F2110 VanDerWaalsContact C-N 3.29Å; E2108-F2110 PolarHBondContact O-N 3.02Å; F2110-Q2112 VanDerWaalsContact C-N 3.31Å; F2110-Q2112 PolarHBondContact O-N 3.18Å; F2110-S2113 PolarHBondContact O-N 2.95Å; F2110-A2114 HydrophobicContact CD1-CB 4.27Å; F2110-A2114 HydrophobicContact CE1-CB 3.87Å; F2110-A2114 HydrophobicContact CE2-CB 4.31Å; F2110-A2114 HydrophobicContact CZ-CB 3.92Å; F2110-A2114 WeakPolarHBondContact O-CA 3.14Å; F2110-A2114 VanDerWaalsContact O-CB 3.22Å; F2110-A2114 WeakPolarHBondContact O-CB 3.4Å; F2110-A2114 PolarHBondContact O-N 3.14Å; F2110-W2117 HydrophobicContact CD2-CH2 4.49Å; F2110-W2117 AromaticContact CD2-CZ3 3.95Å; F2110-W2117 HydrophobicContact CD2-CZ3 3.97Å; F2110-W2117 HydrophobicContact CE2-CE3 4.45Å; F2110-W2117 HydrophobicContact CE2-CH2 4.5Å; F2110-W2117 AromaticContact CE2-CZ3 3.78Å; F2110-W2117 HydrophobicContact CE2-CZ3 3.78Å; F2110-W2117 HydrophobicContact CZ-CZ3 4.44Å; F2110-L2205 HydrophobicContact CZ-CD2 4.04Å |
| 2111 | L | 79.1 | Confident | 80.3 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -40 | 179.5 | -68.6 | 170.9 | 0 | 0 | 0 | 111.6 | H2107 E2108 A2114 H2115 I2209 | H2107-L2111 WeakPolarHBondContact O-CG 3.44Å; H2107-L2111 PolarHBondContact O-N 3.24Å; E2108-L2111 PolarHBondContact O-N 3.25Å; E2108-L2111 VanDerWaalsContact O-N 3.15Å; L2111-A2114 PolarHBondContact O-N 3.16Å; L2111-H2115 PolarHBondContact O-CD2 3.21Å; L2111-H2115 PolarHBondContact O-N 3.26Å; L2111-H2115 VanDerWaalsContact O-N 3.13Å; L2111-H2115 PolarHBondContact O-ND1 3.01Å; L2111-I2209 HydrophobicContact CD2-CG1 4.39Å |
| 2112 | Q | 79.7 | Confident | 80 | Confident | 134.8 Ų | 134.8 | 54.5 Ų | 54.5 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.1 | -50.4 | 173.9 | -68.4 | 176.4 | 9.9 | 0 | 0 | 111.7 | E2108 Q2109 F2110 A2114 H2115 Q2116 | E2108-Q2112 WeakPolarHBondContact O-CG 3.27Å; E2108-Q2112 PolarHBondContact O-N 3.17Å; E2108-Q2112 VanDerWaalsContact O-N 3.13Å; Q2109-Q2112 PolarHBondContact O-N 3.44Å; F2110-Q2112 VanDerWaalsContact C-N 3.31Å; F2110-Q2112 PolarHBondContact O-N 3.18Å; Q2112-A2114 PolarHBondContact O-N 3.03Å; Q2112-H2115 PolarHBondContact O-N 3.14Å; Q2112-Q2116 PolarHBondContact O-N 2.65Å |
| 2113 | S | 82.5 | Confident | 79.8 | Confident | 26.8 Ų | 26.8 | 55.4 Ų | 55.4 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 176.9 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | Y2069 Q2109 F2110 H2115 Q2116 W2117 | Y2069-S2113 PolarHBondContact OH-OG 3.16Å; Q2109-S2113 PolarHBondContact O-N 3.04Å; Q2109-S2113 VanDerWaalsContact O-N 3.13Å; Q2109-S2113 PolarHBondContact O-OG 3.32Å; Q2109-S2113 VanDerWaalsContact O-OG 3.13Å; F2110-S2113 PolarHBondContact O-N 2.95Å; S2113-H2115 VanDerWaalsContact C-N 3.33Å; S2113-H2115 PolarHBondContact O-N 2.99Å; S2113-Q2116 WeakPolarHBondContact O-CA 3.37Å; S2113-Q2116 WeakPolarHBondContact O-CB 3.4Å; S2113-Q2116 PolarHBondContact O-N 3.18Å; S2113-Q2116 VanDerWaalsContact O-N 3.1Å; S2113-W2117 WeakPolarHBondContact O-CB 3.17Å; S2113-W2117 VanDerWaalsContact O-CG 3.3Å; S2113-W2117 PolarHBondContact O-N 3.05Å |
| 2114 | A | 81.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -34.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F2110 L2111 Q2112 Q2116 L2118 L2205 I2209 | F2110-A2114 HydrophobicContact CD1-CB 4.27Å; F2110-A2114 HydrophobicContact CE1-CB 3.87Å; F2110-A2114 HydrophobicContact CE2-CB 4.31Å; F2110-A2114 HydrophobicContact CZ-CB 3.92Å; F2110-A2114 WeakPolarHBondContact O-CA 3.14Å; F2110-A2114 VanDerWaalsContact O-CB 3.22Å; F2110-A2114 WeakPolarHBondContact O-CB 3.4Å; F2110-A2114 PolarHBondContact O-N 3.14Å; L2111-A2114 PolarHBondContact O-N 3.16Å; Q2112-A2114 PolarHBondContact O-N 3.03Å; A2114-Q2116 VanDerWaalsContact C-N 3.33Å; A2114-L2118 WeakPolarHBondContact O-CB 3.42Å; A2114-L2118 PolarHBondContact O-N 3.07Å; A2114-L2205 HydrophobicContact CB-CD2 3.98Å; A2114-I2209 HydrophobicContact CB-CD1 4.25Å; A2114-I2209 HydrophobicContact CB-CG1 4.42Å |
| 2115 | H | 77.3 | Confident | 80 | Confident | 62.6 Ų | 62.6 | 53.3 Ų | 53.3 | 29% | 0.29 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 171.5 | -81 | -60.2 | 0 | 0 | 0 | 112.2 | L2111 Q2112 S2113 R2119 I2209 | L2111-H2115 PolarHBondContact O-CD2 3.21Å; L2111-H2115 PolarHBondContact O-N 3.26Å; L2111-H2115 VanDerWaalsContact O-N 3.13Å; L2111-H2115 PolarHBondContact O-ND1 3.01Å; Q2112-H2115 PolarHBondContact O-N 3.14Å; S2113-H2115 VanDerWaalsContact C-N 3.33Å; S2113-H2115 PolarHBondContact O-N 2.99Å; H2115-R2119 VanDerWaalsContact O-CD 3.24Å; H2115-R2119 WeakPolarHBondContact O-CD 3.49Å; H2115-R2119 VanDerWaalsContact O-CG 3.22Å; H2115-R2119 WeakPolarHBondContact O-CG 3.39Å; H2115-R2119 PolarHBondContact O-N 3.16Å; H2115-R2119 VanDerWaalsContact O-N 3.15Å; H2115-I2209 VanDerWaalsContact CE1-CG2 3.45Å; H2115-I2209 WeakPolarHBondContact CE1-CG2 3.39Å |
| 2116 | Q | 79.9 | Confident | 80.2 | Confident | 92 Ų | 92 | 54.4 Ų | 54.4 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.9 | -49.7 | 177.2 | -177 | 55.6 | 36.8 | 0 | 0 | 111.1 | Q2112 S2113 A2114 L2118 R2119 D2120 | Q2112-Q2116 PolarHBondContact O-N 2.65Å; S2113-Q2116 WeakPolarHBondContact O-CA 3.37Å; S2113-Q2116 WeakPolarHBondContact O-CB 3.4Å; S2113-Q2116 PolarHBondContact O-N 3.18Å; S2113-Q2116 VanDerWaalsContact O-N 3.1Å; A2114-Q2116 VanDerWaalsContact C-N 3.33Å; Q2116-L2118 VanDerWaalsContact C-N 3.29Å; Q2116-L2118 PolarHBondContact O-N 3.33Å; Q2116-R2119 WeakPolarHBondContact O-CA 3.44Å; Q2116-R2119 VanDerWaalsContact O-CB 3.32Å; Q2116-R2119 WeakPolarHBondContact O-CB 3.38Å; Q2116-R2119 PolarHBondContact O-N 3.18Å; Q2116-R2119 VanDerWaalsContact O-N 3.08Å; Q2116-D2120 PolarHBondContact NE2-OD1 3.1Å; Q2116-D2120 PolarHBondContact NE2-OD2 3.25Å; Q2116-D2120 PolarHBondContact O-N 3.19Å |
| 2117 | W | 83.3 | Confident | 80.3 | Confident | 39.2 Ų | 39.2 | 52.5 Ų | 52.5 | 15% | 0.148 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.1 | -42.6 | 175.7 | -62.3 | -28.2 | 0 | 0 | 0 | 112.1 | Y2069 E2073 F2076 F2110 S2113 R2119 D2120 E2121 L2205 | Y2069-W2117 HydrophobicContact CD2-CH2 4.45Å; Y2069-W2117 AromaticContact CE2-CH2 3.94Å; Y2069-W2117 HydrophobicContact CE2-CH2 4.15Å; E2073-W2117 HydrophobicContact CB-CZ2 4.42Å; F2076-W2117 HydrophobicContact CB-CD2 4.43Å; F2076-W2117 HydrophobicContact CB-CZ2 4.36Å; F2076-W2117 HydrophobicContact CD1-CB 4.43Å; F2076-W2117 HydrophobicContact CD1-CD2 4.3Å; F2076-W2117 HydrophobicContact CD1-CE3 4.38Å; F2076-W2117 HydrophobicContact CD1-CG 4.24Å; F2076-W2117 AromaticContact CD2-CD2 3.75Å; F2076-W2117 HydrophobicContact CD2-CD2 3.98Å; F2076-W2117 AromaticContact CD2-CE2 3.97Å; F2076-W2117 AromaticContact CD2-CE3 3.68Å; F2076-W2117 HydrophobicContact CD2-CE3 3.68Å; F2076-W2117 HydrophobicContact CD2-CG 4.49Å; F2076-W2117 AromaticContact CD2-CH2 3.89Å; F2076-W2117 HydrophobicContact CD2-CH2 3.89Å; F2076-W2117 HydrophobicContact CD2-CZ2 4.17Å; F2076-W2117 AromaticContact CD2-CZ3 3.64Å; F2076-W2117 HydrophobicContact CD2-CZ3 3.64Å; F2076-W2117 HydrophobicContact CE1-CB 4.22Å; F2076-W2117 HydrophobicContact CE1-CD2 4.37Å; F2076-W2117 HydrophobicContact CE1-CE3 4.34Å; F2076-W2117 HydrophobicContact CE1-CG 4.36Å; F2076-W2117 HydrophobicContact CE2-CD2 4.2Å; F2076-W2117 AromaticContact CE2-CE3 3.55Å; F2076-W2117 HydrophobicContact CE2-CE3 3.55Å; F2076-W2117 VanDerWaalsContact CE2-CE3 3.48Å; F2076-W2117 HydrophobicContact CE2-CH2 4.36Å; F2076-W2117 AromaticContact CE2-CZ3 3.65Å; F2076-W2117 HydrophobicContact CE2-CZ3 3.65Å; F2076-W2117 VanDerWaalsContact CE2-CZ3 3.47Å; F2076-W2117 AromaticContact CG-CD2 3.9Å; F2076-W2117 HydrophobicContact CG-CD2 4.06Å; F2076-W2117 AromaticContact CG-CE2 3.95Å; F2076-W2117 HydrophobicContact CG-CE3 4.22Å; F2076-W2117 HydrophobicContact CG-CG 4.33Å; F2076-W2117 HydrophobicContact CG-CZ2 4.42Å; F2076-W2117 HydrophobicContact CG-CZ3 4.47Å; F2076-W2117 HydrophobicContact CZ-CD2 4.42Å; F2076-W2117 AromaticContact CZ-CE3 3.91Å; F2076-W2117 HydrophobicContact CZ-CE3 3.96Å; F2076-W2117 HydrophobicContact CZ-CZ3 4.37Å; F2110-W2117 HydrophobicContact CD2-CH2 4.49Å; F2110-W2117 AromaticContact CD2-CZ3 3.95Å; F2110-W2117 HydrophobicContact CD2-CZ3 3.97Å; F2110-W2117 HydrophobicContact CE2-CE3 4.45Å; F2110-W2117 HydrophobicContact CE2-CH2 4.5Å; F2110-W2117 AromaticContact CE2-CZ3 3.78Å; F2110-W2117 HydrophobicContact CE2-CZ3 3.78Å; F2110-W2117 HydrophobicContact CZ-CZ3 4.44Å; S2113-W2117 WeakPolarHBondContact O-CB 3.17Å; S2113-W2117 VanDerWaalsContact O-CG 3.3Å; S2113-W2117 PolarHBondContact O-N 3.05Å; W2117-R2119 VanDerWaalsContact C-N 3.32Å; W2117-R2119 PolarHBondContact O-N 3.36Å; W2117-D2120 PolarHBondContact O-N 3.21Å; W2117-E2121 VanDerWaalsContact O-CB 3.26Å; W2117-E2121 WeakPolarHBondContact O-CB 3.3Å; W2117-E2121 WeakPolarHBondContact O-CG 3.39Å; W2117-E2121 PolarHBondContact O-N 3.23Å; W2117-L2205 HydrophobicContact CB-CD1 4.11Å; W2117-L2205 HydrophobicContact CE3-CD2 4.45Å |
| 2118 | L | 82.7 | Confident | 80.4 | Confident | 5.2 Ų | 5.2 | 51.6 Ų | 51.6 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -33.7 | 176.4 | -177.9 | 61.3 | 0 | 0 | 0 | 112.8 | A2114 Q2116 I2122 C2202 L2205 Y2206 I2209 Y2283 | A2114-L2118 WeakPolarHBondContact O-CB 3.42Å; A2114-L2118 PolarHBondContact O-N 3.07Å; Q2116-L2118 VanDerWaalsContact C-N 3.29Å; Q2116-L2118 PolarHBondContact O-N 3.33Å; L2118-I2122 HydrophobicContact CD1-CD1 4.01Å; L2118-I2122 HydrophobicContact CD1-CG1 4.31Å; L2118-I2122 HydrophobicContact CG-CD1 4.04Å; L2118-I2122 WeakPolarHBondContact O-CB 3.29Å; L2118-I2122 WeakPolarHBondContact O-CD1 3.32Å; L2118-I2122 WeakPolarHBondContact O-CG1 3.37Å; L2118-I2122 PolarHBondContact O-N 3.13Å; L2118-I2122 VanDerWaalsContact O-N 3.13Å; L2118-C2202 HydrophobicContact CD1-CB 4.09Å; L2118-L2205 HydrophobicContact CB-CB 4.36Å; L2118-L2205 HydrophobicContact CB-CD1 4.17Å; L2118-L2205 HydrophobicContact CD1-CB 4.29Å; L2118-L2205 HydrophobicContact CD2-CB 4.29Å; L2118-Y2206 HydrophobicContact CD2-CD2 4.2Å; L2118-I2209 HydrophobicContact CD2-CD1 3.87Å; L2118-Y2283 VanDerWaalsContact CD2-OH 3.29Å; L2118-Y2283 WeakPolarHBondContact CD2-OH 3.36Å |
| 2119 | R | 77.7 | Confident | 80.5 | Confident | 104.8 Ų | 104.8 | 44.9 Ų | 44.9 | 40% | 0.395 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.2 | -48.5 | 173.1 | -112.9 | 175.5 | -167.1 | -145.9 | -0.8 | 110.9 | H2115 Q2116 W2117 E2121 I2122 V2123 N2279 Y2283 | H2115-R2119 VanDerWaalsContact O-CD 3.24Å; H2115-R2119 WeakPolarHBondContact O-CD 3.49Å; H2115-R2119 VanDerWaalsContact O-CG 3.22Å; H2115-R2119 WeakPolarHBondContact O-CG 3.39Å; H2115-R2119 PolarHBondContact O-N 3.16Å; H2115-R2119 VanDerWaalsContact O-N 3.15Å; Q2116-R2119 WeakPolarHBondContact O-CA 3.44Å; Q2116-R2119 VanDerWaalsContact O-CB 3.32Å; Q2116-R2119 WeakPolarHBondContact O-CB 3.38Å; Q2116-R2119 PolarHBondContact O-N 3.18Å; Q2116-R2119 VanDerWaalsContact O-N 3.08Å; W2117-R2119 VanDerWaalsContact C-N 3.32Å; W2117-R2119 PolarHBondContact O-N 3.36Å; R2119-E2121 PolarHBondContact O-N 2.87Å; R2119-I2122 PolarHBondContact O-N 2.92Å; R2119-V2123 WeakPolarHBondContact O-CB 3.35Å; R2119-V2123 VanDerWaalsContact O-CG2 3.3Å; R2119-V2123 WeakPolarHBondContact O-CG2 3.29Å; R2119-V2123 PolarHBondContact O-N 3.2Å; R2119-V2123 VanDerWaalsContact O-N 3.13Å; R2119-N2279 PolarHBondContact NH1-O 2.85Å; R2119-N2279 PolarHBondContact NH1-OD1 2.79Å; R2119-N2279 PolarHBondContact NH2-O 3.13Å; R2119-N2279 PolarHBondContact NH2-OD1 2.77Å; R2119-Y2283 HydrophobicContact CB-CD2 4.33Å; R2119-Y2283 HydrophobicContact CB-CE2 4.28Å; R2119-Y2283 HydrophobicContact CG-CD2 4.03Å; R2119-Y2283 HydrophobicContact CG-CE2 4.08Å; R2119-Y2283 HydrophobicContact CG-CG 4.34Å |
| 2120 | D | 79.9 | Confident | 80.3 | Confident | 69 Ų | 69 | 43.1 Ų | 43.1 | 37% | 0.369 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.4 | -39.7 | -177.1 | -63.2 | -30.9 | 0 | 0 | 0 | 111.7 | Q2116 W2117 I2122 V2123 W2124 R2175 | Q2116-D2120 PolarHBondContact NE2-OD1 3.1Å; Q2116-D2120 PolarHBondContact NE2-OD2 3.25Å; Q2116-D2120 PolarHBondContact O-N 3.19Å; W2117-D2120 PolarHBondContact O-N 3.21Å; D2120-I2122 VanDerWaalsContact C-N 3.33Å; D2120-I2122 PolarHBondContact O-N 3.13Å; D2120-V2123 PolarHBondContact O-N 2.78Å; D2120-W2124 VanDerWaalsContact O-CB 3.25Å; D2120-W2124 WeakPolarHBondContact O-CB 3.37Å; D2120-W2124 PolarHBondContact O-N 3.27Å; D2120-W2124 VanDerWaalsContact O-N 3.09Å; D2120-R2175 PolarHBondContact O-NH1 3.01Å |
| 2121 | E | 82.4 | Confident | 79.9 | Confident | 13.2 Ų | 13.2 | 44.3 Ų | 44.3 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -39.3 | 174.4 | -74.2 | -72 | 107.8 | 0 | 0 | 112.8 | L2079 W2117 R2119 W2124 L2125 R2175 H2198 I2201 C2202 | L2079-E2121 VanDerWaalsContact CD2-OE1 3.29Å; L2079-E2121 WeakPolarHBondContact CD2-OE1 3.14Å; W2117-E2121 VanDerWaalsContact O-CB 3.26Å; W2117-E2121 WeakPolarHBondContact O-CB 3.3Å; W2117-E2121 WeakPolarHBondContact O-CG 3.39Å; W2117-E2121 PolarHBondContact O-N 3.23Å; R2119-E2121 PolarHBondContact O-N 2.87Å; E2121-W2124 PolarHBondContact O-N 3.19Å; E2121-L2125 VanDerWaalsContact O-CB 3.32Å; E2121-L2125 WeakPolarHBondContact O-CB 3.36Å; E2121-L2125 VanDerWaalsContact O-CG 3.31Å; E2121-L2125 WeakPolarHBondContact O-CG 3.36Å; E2121-L2125 PolarHBondContact O-N 3.36Å; E2121-R2175 IonicContact OE1-NH2 3.56Å; E2121-R2175 PolarHBondContact OE1-NH2 3.07Å; E2121-H2198 IonicContact OE1-CE1 3.52Å; E2121-H2198 PolarHBondContact OE1-CE1 3.08Å; E2121-H2198 IonicContact OE1-ND1 3.19Å; E2121-H2198 PolarHBondContact OE1-ND1 3.2Å; E2121-H2198 WeakPolarHBondContact OE2-CA 3.49Å; E2121-H2198 WeakPolarHBondContact OE2-CB 3.43Å; E2121-H2198 IonicContact OE2-CE1 3.46Å; E2121-H2198 PolarHBondContact OE2-CE1 3.14Å; E2121-H2198 IonicContact OE2-CG 3.01Å; E2121-H2198 IonicContact OE2-ND1 3.28Å; E2121-H2198 PolarHBondContact OE2-ND1 3.22Å; E2121-I2201 HydrophobicContact CG-CG2 4.4Å; E2121-C2202 VanDerWaalsContact CB-SG 3.56Å |
| 2122 | I | 79.9 | Confident | 79.6 | Confident | 12.4 Ų | 12.4 | 44.2 Ų | 44.2 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 174.7 | -73.3 | 168.8 | 0 | 0 | 0 | 110.8 | L2118 R2119 D2120 L2125 R2126 Y2283 N2286 Q2287 S2290 | L2118-I2122 HydrophobicContact CD1-CD1 4.01Å; L2118-I2122 HydrophobicContact CD1-CG1 4.31Å; L2118-I2122 HydrophobicContact CG-CD1 4.04Å; L2118-I2122 WeakPolarHBondContact O-CB 3.29Å; L2118-I2122 WeakPolarHBondContact O-CD1 3.32Å; L2118-I2122 WeakPolarHBondContact O-CG1 3.37Å; L2118-I2122 PolarHBondContact O-N 3.13Å; L2118-I2122 VanDerWaalsContact O-N 3.13Å; R2119-I2122 PolarHBondContact O-N 2.92Å; D2120-I2122 VanDerWaalsContact C-N 3.33Å; D2120-I2122 PolarHBondContact O-N 3.13Å; I2122-L2125 PolarHBondContact O-N 3.17Å; I2122-R2126 WeakPolarHBondContact O-CB 3.09Å; I2122-R2126 VanDerWaalsContact O-CG 3.29Å; I2122-R2126 WeakPolarHBondContact O-CG 3.37Å; I2122-R2126 PolarHBondContact O-N 3.07Å; I2122-R2126 VanDerWaalsContact O-N 3.09Å; I2122-Y2283 HydrophobicContact CD1-CE2 4.09Å; I2122-N2286 HydrophobicContact CG2-CB 4.15Å; I2122-Q2287 HydrophobicContact CD1-CG 4.36Å; I2122-S2290 WeakPolarHBondContact CG2-OG 3.33Å |
| 2123 | V | 79.2 | Confident | 78.8 | Confident | 80.8 Ų | 80.8 | 40.5 Ų | 40.5 | 49% | 0.49 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.3 | -43.4 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | R2119 D2120 R2126 S2127 | R2119-V2123 WeakPolarHBondContact O-CB 3.35Å; R2119-V2123 VanDerWaalsContact O-CG2 3.3Å; R2119-V2123 WeakPolarHBondContact O-CG2 3.29Å; R2119-V2123 PolarHBondContact O-N 3.2Å; R2119-V2123 VanDerWaalsContact O-N 3.13Å; D2120-V2123 PolarHBondContact O-N 2.78Å; V2123-R2126 WeakPolarHBondContact O-CB 3.44Å; V2123-R2126 PolarHBondContact O-N 3.07Å; V2123-S2127 WeakPolarHBondContact O-CB 3.35Å; V2123-S2127 PolarHBondContact O-N 3.12Å; V2123-S2127 VanDerWaalsContact O-N 3.12Å; V2123-S2127 PolarHBondContact O-OG 3.15Å |
| 2124 | W | 82.6 | Confident | 77.5 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -48.7 | 175.9 | -175.1 | 94.2 | 0 | 0 | 0 | 111.8 | D2120 E2121 R2126 S2127 M2128 F2183 L2194 I2195 H2198 | D2120-W2124 VanDerWaalsContact O-CB 3.25Å; D2120-W2124 WeakPolarHBondContact O-CB 3.37Å; D2120-W2124 PolarHBondContact O-N 3.27Å; D2120-W2124 VanDerWaalsContact O-N 3.09Å; E2121-W2124 PolarHBondContact O-N 3.19Å; W2124-R2126 VanDerWaalsContact C-N 3.33Å; W2124-R2126 PolarHBondContact O-N 3.24Å; W2124-S2127 WeakPolarHBondContact O-CB 3.41Å; W2124-S2127 PolarHBondContact O-N 2.96Å; W2124-M2128 HydrophobicContact CD2-CB 4.48Å; W2124-M2128 HydrophobicContact CD2-CG 3.77Å; W2124-M2128 HydrophobicContact CE3-CB 4.31Å; W2124-M2128 HydrophobicContact CE3-CG 3.96Å; W2124-M2128 HydrophobicContact CG-CG 4.46Å; W2124-M2128 HydrophobicContact CH2-CB 4.15Å; W2124-M2128 HydrophobicContact CH2-CE 4.01Å; W2124-M2128 HydrophobicContact CH2-CG 3.66Å; W2124-M2128 HydrophobicContact CH2-SD 4.36Å; W2124-M2128 HydrophobicContact CZ2-CB 4.31Å; W2124-M2128 HydrophobicContact CZ2-CE 4.12Å; W2124-M2128 HydrophobicContact CZ2-CG 3.76Å; W2124-M2128 VanDerWaalsContact CZ2-CG 3.49Å; W2124-M2128 HydrophobicContact CZ2-SD 4.03Å; W2124-M2128 HydrophobicContact CZ3-CB 4.14Å; W2124-M2128 HydrophobicContact CZ3-CG 3.95Å; W2124-M2128 WeakPolarHBondContact O-CB 3.39Å; W2124-M2128 VanDerWaalsContact O-CG 3.26Å; W2124-M2128 WeakPolarHBondContact O-CG 3.32Å; W2124-M2128 PolarHBondContact O-N 3.09Å; W2124-F2183 AromaticContact CE2-CZ 3.93Å; W2124-F2183 HydrophobicContact CZ2-CE1 4.21Å; W2124-F2183 HydrophobicContact CZ2-CZ 4.32Å; W2124-F2183 AromaticContact NE1-CE1 3.93Å; W2124-F2183 AromaticContact NE1-CZ 3.49Å; W2124-L2194 HydrophobicContact CH2-CB 3.86Å; W2124-L2194 HydrophobicContact CH2-CD1 4.39Å; W2124-L2194 HydrophobicContact CH2-CD2 3.61Å; W2124-L2194 VanDerWaalsContact CH2-CD2 3.47Å; W2124-L2194 HydrophobicContact CH2-CG 3.75Å; W2124-L2194 HydrophobicContact CZ2-CB 4.38Å; W2124-L2194 HydrophobicContact CZ2-CD1 4.28Å; W2124-L2194 HydrophobicContact CZ2-CD2 3.79Å; W2124-L2194 HydrophobicContact CZ2-CG 4.33Å; W2124-L2194 HydrophobicContact CZ3-CG 4.5Å; W2124-I2195 HydrophobicContact CZ3-CG1 4.38Å; W2124-H2198 AromaticContact CD2-CE1 3.9Å; W2124-H2198 AromaticContact CE2-NE2 3.86Å; W2124-H2198 HydrophobicContact CE3-CB 4.09Å; W2124-H2198 AromaticContact CE3-CD2 3.83Å; W2124-H2198 AromaticContact CE3-CE1 3.84Å; W2124-H2198 VanDerWaalsContact CE3-CE1 3.44Å; W2124-H2198 AromaticContact CE3-CG 3.7Å; W2124-H2198 AromaticContact CE3-ND1 3.69Å; W2124-H2198 AromaticContact CH2-CD2 3.45Å; W2124-H2198 VanDerWaalsContact CH2-CD2 3.43Å; W2124-H2198 WeakPolarHBondContact CH2-CD2 3.19Å; W2124-H2198 AromaticContact CH2-CE1 3.83Å; W2124-H2198 AromaticContact CH2-CG 3.95Å; W2124-H2198 AromaticContact CH2-NE2 3.64Å; W2124-H2198 WeakPolarHBondContact CH2-NE2 3.46Å; W2124-H2198 AromaticContact CZ2-CD2 3.84Å; W2124-H2198 AromaticContact CZ2-NE2 3.8Å; W2124-H2198 HydrophobicContact CZ3-CB 3.94Å; W2124-H2198 AromaticContact CZ3-CD2 3.44Å; W2124-H2198 VanDerWaalsContact CZ3-CD2 3.42Å; W2124-H2198 WeakPolarHBondContact CZ3-CD2 3.35Å; W2124-H2198 AromaticContact CZ3-CE1 3.61Å; W2124-H2198 WeakPolarHBondContact CZ3-CE1 3.24Å; W2124-H2198 AromaticContact CZ3-CG 3.49Å; W2124-H2198 VanDerWaalsContact CZ3-CG 3.44Å; W2124-H2198 AromaticContact CZ3-ND1 3.72Å; W2124-H2198 WeakPolarHBondContact CZ3-ND1 3.38Å; W2124-H2198 AromaticContact CZ3-NE2 3.79Å |
| 2125 | L | 83 | Confident | 75.9 | Confident | 1.8 Ų | 1.8 | 45.4 Ų | 45.4 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57 | -45.7 | 177.4 | -82.4 | 171.6 | 0 | 0 | 0 | 111.7 | E2121 I2122 S2127 M2128 I2129 I2195 H2198 L2199 C2202 | E2121-L2125 VanDerWaalsContact O-CB 3.32Å; E2121-L2125 WeakPolarHBondContact O-CB 3.36Å; E2121-L2125 VanDerWaalsContact O-CG 3.31Å; E2121-L2125 WeakPolarHBondContact O-CG 3.36Å; E2121-L2125 PolarHBondContact O-N 3.36Å; I2122-L2125 PolarHBondContact O-N 3.17Å; L2125-S2127 VanDerWaalsContact C-N 3.3Å; L2125-S2127 PolarHBondContact O-N 2.97Å; L2125-M2128 PolarHBondContact O-N 2.97Å; L2125-I2129 HydrophobicContact CB-CD1 4.37Å; L2125-I2129 VanDerWaalsContact O-CB 3.31Å; L2125-I2129 WeakPolarHBondContact O-CB 3.43Å; L2125-I2129 VanDerWaalsContact O-CD1 3.3Å; L2125-I2129 WeakPolarHBondContact O-CD1 3.33Å; L2125-I2129 WeakPolarHBondContact O-CG1 3.34Å; L2125-I2129 PolarHBondContact O-N 3.01Å; L2125-I2195 HydrophobicContact CD2-CG2 3.95Å; L2125-H2198 HydrophobicContact CD1-CB 4.29Å; L2125-H2198 HydrophobicContact CD2-CB 3.85Å; L2125-H2198 HydrophobicContact CG-CB 4.21Å; L2125-L2199 HydrophobicContact CD1-CD2 4.1Å; L2125-L2199 HydrophobicContact CD1-CG 4.48Å; L2125-L2199 HydrophobicContact CD2-CD2 4.36Å; L2125-L2199 HydrophobicContact CD2-CG 4.18Å; L2125-C2202 HydrophobicContact CD1-CB 4.39Å; L2125-C2202 VanDerWaalsContact CD1-SG 3.52Å; L2125-C2202 WeakPolarHBondContact CD1-SG 3.28Å |
| 2126 | R | 80.5 | Confident | 74.1 | Confident | 72.6 Ų | 72.6 | 46 Ų | 46 | 27% | 0.274 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 178.7 | -83.6 | -179 | 87.3 | -155.7 | -7.1 | 112 | I2122 V2123 W2124 M2128 I2129 T2130 N2286 Y2289 D2293 | I2122-R2126 WeakPolarHBondContact O-CB 3.09Å; I2122-R2126 VanDerWaalsContact O-CG 3.29Å; I2122-R2126 WeakPolarHBondContact O-CG 3.37Å; I2122-R2126 PolarHBondContact O-N 3.07Å; I2122-R2126 VanDerWaalsContact O-N 3.09Å; V2123-R2126 WeakPolarHBondContact O-CB 3.44Å; V2123-R2126 PolarHBondContact O-N 3.07Å; W2124-R2126 VanDerWaalsContact C-N 3.33Å; W2124-R2126 PolarHBondContact O-N 3.24Å; R2126-M2128 PolarHBondContact O-N 3.11Å; R2126-I2129 PolarHBondContact O-N 3.08Å; R2126-T2130 WeakPolarHBondContact O-CB 3.41Å; R2126-T2130 PolarHBondContact O-N 3Å; R2126-T2130 VanDerWaalsContact O-N 3.12Å; R2126-T2130 PolarHBondContact O-OG1 2.96Å; R2126-T2130 VanDerWaalsContact O-OG1 3.05Å; R2126-N2286 PolarHBondContact NH1-OD1 3.13Å; R2126-Y2289 VanDerWaalsContact CZ-CB 3.41Å; R2126-D2293 IonicContact CZ-OD2 3.06Å; R2126-D2293 VanDerWaalsContact CZ-OD2 3.28Å; R2126-D2293 IonicContact NE-OD2 3.15Å; R2126-D2293 PolarHBondContact NE-OD2 2.97Å; R2126-D2293 IonicContact NH2-OD2 3.5Å; R2126-D2293 PolarHBondContact NH2-OD2 3.15Å |
| 2127 | S | 78.8 | Confident | 71.9 | Confident | 55 Ų | 55 | 45.8 Ų | 45.8 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -50.7 | 174.9 | -128.9 | 0 | 0 | 0 | 0 | 111.3 | V2123 W2124 L2125 I2129 T2130 D2131 | V2123-S2127 WeakPolarHBondContact O-CB 3.35Å; V2123-S2127 PolarHBondContact O-N 3.12Å; V2123-S2127 VanDerWaalsContact O-N 3.12Å; V2123-S2127 PolarHBondContact O-OG 3.15Å; W2124-S2127 WeakPolarHBondContact O-CB 3.41Å; W2124-S2127 PolarHBondContact O-N 2.96Å; L2125-S2127 VanDerWaalsContact C-N 3.3Å; L2125-S2127 PolarHBondContact O-N 2.97Å; S2127-I2129 VanDerWaalsContact C-N 3.3Å; S2127-I2129 PolarHBondContact O-N 3.18Å; S2127-T2130 WeakPolarHBondContact CA-OG1 3.29Å; S2127-T2130 CarbonylContact O-C 3.55Å; S2127-T2130 WeakPolarHBondContact O-CA 3.45Å; S2127-T2130 WeakPolarHBondContact O-CB 3.41Å; S2127-T2130 PolarHBondContact O-N 3.25Å; S2127-T2130 VanDerWaalsContact O-N 3.14Å; S2127-T2130 PolarHBondContact O-OG1 2.98Å; S2127-D2131 VanDerWaalsContact C-OD2 3.24Å; S2127-D2131 VanDerWaalsContact O-CG 3.3Å; S2127-D2131 PolarHBondContact O-N 3.06Å; S2127-D2131 PolarHBondContact OG-OD2 3.01Å |
| 2128 | M | 80.4 | Confident | 69.4 | Low | 2.8 Ų | 2.8 | 50.8 Ų | 50.8 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.3 | -33.9 | -176.4 | -101.7 | -23.6 | 123.1 | 0 | 0 | 113.1 | W2124 L2125 R2126 T2130 D2131 R2132 I2179 V2180 F2183 M2186 K2191 L2194 I2195 | W2124-M2128 HydrophobicContact CD2-CB 4.48Å; W2124-M2128 HydrophobicContact CD2-CG 3.77Å; W2124-M2128 HydrophobicContact CE3-CB 4.31Å; W2124-M2128 HydrophobicContact CE3-CG 3.96Å; W2124-M2128 HydrophobicContact CG-CG 4.46Å; W2124-M2128 HydrophobicContact CH2-CB 4.15Å; W2124-M2128 HydrophobicContact CH2-CE 4.01Å; W2124-M2128 HydrophobicContact CH2-CG 3.66Å; W2124-M2128 HydrophobicContact CH2-SD 4.36Å; W2124-M2128 HydrophobicContact CZ2-CB 4.31Å; W2124-M2128 HydrophobicContact CZ2-CE 4.12Å; W2124-M2128 HydrophobicContact CZ2-CG 3.76Å; W2124-M2128 VanDerWaalsContact CZ2-CG 3.49Å; W2124-M2128 HydrophobicContact CZ2-SD 4.03Å; W2124-M2128 HydrophobicContact CZ3-CB 4.14Å; W2124-M2128 HydrophobicContact CZ3-CG 3.95Å; W2124-M2128 WeakPolarHBondContact O-CB 3.39Å; W2124-M2128 VanDerWaalsContact O-CG 3.26Å; W2124-M2128 WeakPolarHBondContact O-CG 3.32Å; W2124-M2128 PolarHBondContact O-N 3.09Å; L2125-M2128 PolarHBondContact O-N 2.97Å; R2126-M2128 PolarHBondContact O-N 3.11Å; M2128-T2130 VanDerWaalsContact C-N 3.33Å; M2128-D2131 VanDerWaalsContact CE-OD2 3.32Å; M2128-D2131 WeakPolarHBondContact CE-OD2 3.47Å; M2128-R2132 VanDerWaalsContact O-CB 3.28Å; M2128-R2132 WeakPolarHBondContact O-CB 3.35Å; M2128-R2132 PolarHBondContact O-N 3Å; M2128-I2179 HydrophobicContact CE-CG2 3.91Å; M2128-V2180 HydrophobicContact CE-CG2 4.35Å; M2128-F2183 HydrophobicContact CB-CE1 4.21Å; M2128-F2183 HydrophobicContact CB-CE2 4.24Å; M2128-F2183 HydrophobicContact CB-CZ 3.94Å; M2128-F2183 HydrophobicContact CE-CB 4.46Å; M2128-F2183 HydrophobicContact CE-CD1 3.77Å; M2128-F2183 VanDerWaalsContact CE-CD1 3.49Å; M2128-F2183 HydrophobicContact CE-CE1 3.73Å; M2128-F2183 HydrophobicContact CE-CG 4.24Å; M2128-F2183 HydrophobicContact CE-CZ 4.47Å; M2128-F2183 HydrophobicContact CG-CD2 4.41Å; M2128-F2183 HydrophobicContact CG-CE2 4.41Å; M2128-F2183 WeakPolarHBondContact O-CE1 3.44Å; M2128-F2183 HydrophobicContact SD-CB 3.95Å; M2128-F2183 HydrophobicContact SD-CD1 3.77Å; M2128-F2183 VanDerWaalsContact SD-CD1 3.58Å; M2128-F2183 HydrophobicContact SD-CD2 3.87Å; M2128-F2183 WeakPolarHBondContact SD-CD2 3.4Å; M2128-F2183 HydrophobicContact SD-CE1 4.19Å; M2128-F2183 HydrophobicContact SD-CE2 4.01Å; M2128-F2183 HydrophobicContact SD-CG 3.59Å; M2128-F2183 VanDerWaalsContact SD-CG 3.55Å; M2128-F2183 WeakPolarHBondContact SD-CG 3.36Å; M2128-F2183 HydrophobicContact SD-CZ 4.22Å; M2128-M2186 HydrophobicContact CE-CE 4.02Å; M2128-M2186 HydrophobicContact CE-SD 4.09Å; M2128-K2191 HydrophobicContact CE-CB 3.95Å; M2128-K2191 HydrophobicContact CE-CD 4.23Å; M2128-K2191 HydrophobicContact CE-CG 3.89Å; M2128-K2191 HydrophobicContact SD-CB 4.19Å; M2128-K2191 HydrophobicContact SD-CD 4.07Å; M2128-K2191 HydrophobicContact SD-CG 3.8Å; M2128-L2194 HydrophobicContact CE-CD1 4.32Å; M2128-I2195 HydrophobicContact CB-CG1 4.47Å; M2128-I2195 HydrophobicContact CG-CD1 3.93Å; M2128-I2195 HydrophobicContact CG-CG1 3.75Å |
| 2129 | I | 79.5 | Confident | 66.9 | Low | 4.2 Ų | 4.2 | 54.4 Ų | 54.4 | 2% | 0.022 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 173.5 | -68.5 | 162.6 | 0 | 0 | 0 | 110.9 | L2125 R2126 S2127 R2132 Q2133 L2294 L2297 L2298 | L2125-I2129 HydrophobicContact CB-CD1 4.37Å; L2125-I2129 VanDerWaalsContact O-CB 3.31Å; L2125-I2129 WeakPolarHBondContact O-CB 3.43Å; L2125-I2129 VanDerWaalsContact O-CD1 3.3Å; L2125-I2129 WeakPolarHBondContact O-CD1 3.33Å; L2125-I2129 WeakPolarHBondContact O-CG1 3.34Å; L2125-I2129 PolarHBondContact O-N 3.01Å; R2126-I2129 PolarHBondContact O-N 3.08Å; S2127-I2129 VanDerWaalsContact C-N 3.3Å; S2127-I2129 PolarHBondContact O-N 3.18Å; I2129-R2132 PolarHBondContact O-N 3.4Å; I2129-Q2133 PolarHBondContact O-N 2.97Å; I2129-Q2133 VanDerWaalsContact O-N 3.11Å; I2129-L2294 HydrophobicContact CD1-CD2 3.53Å; I2129-L2294 VanDerWaalsContact CD1-CD2 3.45Å; I2129-L2294 HydrophobicContact CD1-CG 4.24Å; I2129-L2297 HydrophobicContact CG2-CB 3.7Å; I2129-L2297 HydrophobicContact CG2-CD1 4.17Å; I2129-L2297 HydrophobicContact CG2-CG 4.37Å; I2129-L2298 HydrophobicContact CD1-CD1 3.92Å; I2129-L2298 HydrophobicContact CD1-CD2 4.24Å; I2129-L2298 HydrophobicContact CD1-CG 4.29Å; I2129-L2298 HydrophobicContact CG1-CD1 4.1Å; I2129-L2298 HydrophobicContact CG1-CD2 4.31Å; I2129-L2298 HydrophobicContact CG1-CG 4.14Å; I2129-L2298 HydrophobicContact CG2-CB 4.35Å; I2129-L2298 HydrophobicContact CG2-CD2 4.15Å; I2129-L2298 HydrophobicContact CG2-CG 4.2Å |
| 2130 | T | 74.6 | Confident | 64.4 | Low | 61 Ų | 61 | 54.8 Ų | 54.8 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.8 | -46.5 | 175.5 | -39.9 | 0 | 0 | 0 | 0 | 111.5 | R2126 S2127 M2128 R2132 Q2133 L2134 | R2126-T2130 WeakPolarHBondContact O-CB 3.41Å; R2126-T2130 PolarHBondContact O-N 3Å; R2126-T2130 VanDerWaalsContact O-N 3.12Å; R2126-T2130 PolarHBondContact O-OG1 2.96Å; R2126-T2130 VanDerWaalsContact O-OG1 3.05Å; S2127-T2130 WeakPolarHBondContact CA-OG1 3.29Å; S2127-T2130 CarbonylContact O-C 3.55Å; S2127-T2130 WeakPolarHBondContact O-CA 3.45Å; S2127-T2130 WeakPolarHBondContact O-CB 3.41Å; S2127-T2130 PolarHBondContact O-N 3.25Å; S2127-T2130 VanDerWaalsContact O-N 3.14Å; S2127-T2130 PolarHBondContact O-OG1 2.98Å; M2128-T2130 VanDerWaalsContact C-N 3.33Å; T2130-R2132 VanDerWaalsContact C-N 3.3Å; T2130-R2132 PolarHBondContact O-N 2.95Å; T2130-Q2133 WeakPolarHBondContact O-CB 3.29Å; T2130-Q2133 PolarHBondContact O-N 3.26Å; T2130-Q2133 VanDerWaalsContact O-N 3.13Å; T2130-L2134 HydrophobicContact CG2-CD1 4.2Å; T2130-L2134 WeakPolarHBondContact O-CD1 3.38Å; T2130-L2134 PolarHBondContact O-N 3.35Å; T2130-L2134 VanDerWaalsContact O-N 3.15Å |
| 2131 | D | 73.7 | Confident | 62 | Low | 24.4 Ų | 24.4 | 57.3 Ų | 57.3 | 13% | 0.13 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.1 | -34.7 | 177.3 | -108.1 | 9.7 | 0 | 0 | 0 | 112.3 | S2127 M2128 Q2133 L2134 G2135 F2183 H2184 K2191 | S2127-D2131 VanDerWaalsContact C-OD2 3.24Å; S2127-D2131 VanDerWaalsContact O-CG 3.3Å; S2127-D2131 PolarHBondContact O-N 3.06Å; S2127-D2131 PolarHBondContact OG-OD2 3.01Å; M2128-D2131 VanDerWaalsContact CE-OD2 3.32Å; M2128-D2131 WeakPolarHBondContact CE-OD2 3.47Å; D2131-Q2133 VanDerWaalsContact C-N 3.26Å; D2131-Q2133 PolarHBondContact O-N 3.14Å; D2131-Q2133 VanDerWaalsContact O-N 3.09Å; D2131-L2134 PolarHBondContact O-N 3.14Å; D2131-L2134 VanDerWaalsContact O-N 3.09Å; D2131-G2135 PolarHBondContact O-N 3.14Å; D2131-F2183 HydrophobicContact CB-CB 4.45Å; D2131-F2183 HydrophobicContact CB-CD1 4.27Å; D2131-F2183 HydrophobicContact CB-CE1 4.29Å; D2131-F2183 WeakPolarHBondContact OD2-CB 3.48Å; D2131-H2184 IonicContact OD1-CD2 2.72Å; D2131-H2184 IonicContact OD1-CE1 3.6Å; D2131-H2184 PolarHBondContact OD1-CE1 3.14Å; D2131-H2184 IonicContact OD1-CG 2.85Å; D2131-H2184 IonicContact OD1-ND1 3.32Å; D2131-H2184 PolarHBondContact OD1-ND1 3.27Å; D2131-H2184 IonicContact OD1-NE2 2.78Å; D2131-H2184 IonicContact OD2-CE1 2.68Å; D2131-K2191 IonicContact OD1-NZ 2.78Å; D2131-K2191 WeakPolarHBondContact OD2-CE 3.42Å; D2131-K2191 IonicContact OD2-NZ 3.34Å; D2131-K2191 PolarHBondContact OD2-NZ 3.33Å |
| 2132 | R | 72 | Confident | 59.3 | Low | 23.2 Ų | 23.2 | 62.2 Ų | 62.2 | 9% | 0.088 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.2 | -30.1 | 171.8 | -174.2 | -175.7 | -177.3 | -89.6 | -0.1 | 112.3 | M2128 I2129 T2130 L2134 F2183 I2188 K2191 D2192 N2355 L2356 S2357 | M2128-R2132 VanDerWaalsContact O-CB 3.28Å; M2128-R2132 WeakPolarHBondContact O-CB 3.35Å; M2128-R2132 PolarHBondContact O-N 3Å; I2129-R2132 PolarHBondContact O-N 3.4Å; T2130-R2132 VanDerWaalsContact C-N 3.3Å; T2130-R2132 PolarHBondContact O-N 2.95Å; R2132-L2134 VanDerWaalsContact C-N 3.33Å; R2132-F2183 HydrophobicContact CB-CE1 4.41Å; R2132-I2188 HydrophobicContact CG-CD1 4.18Å; R2132-K2191 HydrophobicContact CB-CD 4.48Å; R2132-D2192 IonicContact CZ-OD1 3.11Å; R2132-D2192 VanDerWaalsContact CZ-OD1 3.24Å; R2132-D2192 IonicContact NE-OD1 2.96Å; R2132-D2192 PolarHBondContact NE-OD1 2.91Å; R2132-D2192 IonicContact NH1-OD1 3.49Å; R2132-D2192 PolarHBondContact NH1-OD1 3.31Å; R2132-D2192 IonicContact NH2-OD1 3.49Å; R2132-D2192 PolarHBondContact NH2-OD1 3.05Å; R2132-D2192 IonicContact NH2-OD2 3.66Å; R2132-D2192 PolarHBondContact NH2-OD2 3.34Å; R2132-N2355 PolarHBondContact NH1-O 2.88Å; R2132-N2355 WeakPolarHBondContact O-CB 3.31Å; R2132-N2355 VanDerWaalsContact O-CG 3.22Å; R2132-N2355 PolarHBondContact O-ND2 3.14Å; R2132-L2356 HydrophobicContact CG-CD2 4.13Å; R2132-L2356 WeakPolarHBondContact O-CD2 3.34Å; R2132-S2357 PolarHBondContact NH2-O 3.29Å |
| 2133 | Q | 62.9 | Low | 56.8 | Low | 56.6 Ų | 56.6 | 70.3 Ų | 70.3 | 26% | 0.264 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -82.8 | -33.5 | 176.3 | -68.2 | -147.4 | -18.7 | 0 | 0 | 113.7 | I2129 T2130 D2131 G2135 L2297 F2353 N2355 L2356 | I2129-Q2133 PolarHBondContact O-N 2.97Å; I2129-Q2133 VanDerWaalsContact O-N 3.11Å; T2130-Q2133 WeakPolarHBondContact O-CB 3.29Å; T2130-Q2133 PolarHBondContact O-N 3.26Å; T2130-Q2133 VanDerWaalsContact O-N 3.13Å; D2131-Q2133 VanDerWaalsContact C-N 3.26Å; D2131-Q2133 PolarHBondContact O-N 3.14Å; D2131-Q2133 VanDerWaalsContact O-N 3.09Å; Q2133-G2135 PolarHBondContact O-N 3.13Å; Q2133-L2297 HydrophobicContact CG-CB 4.2Å; Q2133-L2297 WeakPolarHBondContact CG-O 3.5Å; Q2133-L2297 PolarHBondContact NE2-O 3.02Å; Q2133-F2353 HydrophobicContact CB-CE1 4.29Å; Q2133-F2353 WeakPolarHBondContact O-CD1 3.18Å; Q2133-N2355 PolarHBondContact NE2-O 3.17Å; Q2133-N2355 PolarHBondContact O-ND2 3.15Å; Q2133-L2356 HydrophobicContact CG-CD2 3.96Å |
| 2134 | L | 55.7 | Low | 54.3 | Low | 105.8 Ų | 105.8 | 71.5 Ų | 71.5 | 55% | 0.554 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -76 | -24.7 | -177.7 | -74.3 | 151.4 | 0 | 0 | 0 | 113.3 | T2130 D2131 R2132 S2136 C2137 | T2130-L2134 HydrophobicContact CG2-CD1 4.2Å; T2130-L2134 WeakPolarHBondContact O-CD1 3.38Å; T2130-L2134 PolarHBondContact O-N 3.35Å; T2130-L2134 VanDerWaalsContact O-N 3.15Å; D2131-L2134 PolarHBondContact O-N 3.14Å; D2131-L2134 VanDerWaalsContact O-N 3.09Å; R2132-L2134 VanDerWaalsContact C-N 3.33Å; L2134-S2136 PolarHBondContact O-N 3.34Å; L2134-C2137 PolarHBondContact O-N 3.47Å; L2134-C2137 PolarHBondContact O-SG 2.84Å; L2134-C2137 VanDerWaalsContact O-SG 3.4Å |
| 2135 | G | 47.7 | Very low | 51.6 | Low | 25 Ų | 25 | 75 Ų | 75 | 26% | 0.258 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -24.8 | 127.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D2131 Q2133 C2137 H2184 | D2131-G2135 PolarHBondContact O-N 3.14Å; Q2133-G2135 PolarHBondContact O-N 3.13Å; G2135-C2137 PolarHBondContact O-N 3.04Å; G2135-H2184 VanDerWaalsContact CA-CE1 3.46Å; G2135-H2184 WeakPolarHBondContact CA-CE1 2.99Å; G2135-H2184 PolarHBondContact O-CE1 2.87Å; G2135-H2184 PolarHBondContact O-NE2 2.86Å |
| 2136 | S | 40.1 | Very low | 49 | Very low | 75.6 Ų | 75.6 | 79.8 Ų | 79.8 | 53% | 0.529 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 31.1 | 179.4 | -169.1 | 0 | 0 | 0 | 0 | 114.2 | L2134 D2138 S2354 | L2134-S2136 PolarHBondContact O-N 3.34Å; S2136-D2138 VanDerWaalsContact C-N 3.31Å; S2136-D2138 PolarHBondContact O-N 3.15Å; S2136-S2354 PolarHBondContact OG-O 3.49Å |
| 2137 | C | 33.7 | Very low | 46.4 | Very low | 88.2 Ų | 88.2 | 83.6 Ų | 83.6 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | trans | -88.2 | 66.4 | 175.9 | -73.6 | 0 | 0 | 0 | 0 | 112.2 | L2134 G2135 A2139 | L2134-C2137 PolarHBondContact O-N 3.47Å; L2134-C2137 PolarHBondContact O-SG 2.84Å; L2134-C2137 VanDerWaalsContact O-SG 3.4Å; G2135-C2137 PolarHBondContact O-N 3.04Å; C2137-A2139 PolarHBondContact O-N 2.93Å | ||
| 2138 | D | 30.1 | Very low | 44.1 | Very low | 142.8 Ų | 142.8 | 87.7 Ų | 87.7 | 76% | 0.764 | 52% | 0.517 | S | S | * | . | trans | -72 | 53 | 173.7 | -68.4 | -50.3 | 0 | 0 | 0 | 112.2 | S2136 S2140 | S2136-D2138 VanDerWaalsContact C-N 3.31Å; S2136-D2138 PolarHBondContact O-N 3.15Å; D2138-S2140 VanDerWaalsContact C-N 3.31Å; D2138-S2140 PolarHBondContact O-N 3.04Å; D2138-S2140 PolarHBondContact O-OG 2.79Å | ||
| 2139 | A | 30.1 | Very low | 41.5 | Very low | 81.8 Ų | 81.8 | 92.4 Ų | 92.4 | 68% | 0.676 | 55% | 0.547 | S | S | * | . | trans | -102.8 | 78.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | C2137 I2141 | C2137-A2139 PolarHBondContact O-N 2.93Å; A2139-I2141 HydrophobicContact CB-CG1 4.3Å; A2139-I2141 PolarHBondContact O-N 3.17Å; A2139-I2141 VanDerWaalsContact O-N 3.1Å | ||
| 2140 | S | 26.1 | Very low | 39.1 | Very low | 113.2 Ų | 113.2 | 96.6 Ų | 96.6 | 79% | 0.792 | 57% | 0.574 | S | S | * | * | trans | -93.9 | 69.1 | 177.5 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | D2138 S2142 | D2138-S2140 VanDerWaalsContact C-N 3.31Å; D2138-S2140 PolarHBondContact O-N 3.04Å; D2138-S2140 PolarHBondContact O-OG 2.79Å; S2140-S2142 VanDerWaalsContact C-N 3.3Å; S2140-S2142 PolarHBondContact O-N 2.92Å; S2140-S2142 VanDerWaalsContact O-N 3.08Å | ||
| 2141 | I | 30 | Very low | 36.9 | Very low | 121.4 Ų | 121.4 | 98.6 Ų | 98.6 | 62% | 0.623 | 59% | 0.588 | S | S | * | * | trans | -115.5 | 113.9 | 160.5 | -67 | 173.4 | 0 | 0 | 0 | 107.1 | A2139 Y2143 | A2139-I2141 HydrophobicContact CB-CG1 4.3Å; A2139-I2141 PolarHBondContact O-N 3.17Å; A2139-I2141 VanDerWaalsContact O-N 3.1Å; I2141-Y2143 VanDerWaalsContact C-N 3.3Å; I2141-Y2143 HydrophobicContact CB-CD2 4.46Å; I2141-Y2143 HydrophobicContact CB-CE2 4.32Å; I2141-Y2143 HydrophobicContact CG2-CD2 3.68Å; I2141-Y2143 HydrophobicContact CG2-CE2 4.14Å; I2141-Y2143 HydrophobicContact CG2-CG 4.34Å; I2141-Y2143 WeakPolarHBondContact O-CD2 3.33Å; I2141-Y2143 PolarHBondContact O-N 3.24Å | ||
| 2142 | S | 24.2 | Very low | 34.8 | Very low | 115.8 Ų | 115.8 | 102.8 Ų | 102.8 | 81% | 0.81 | 61% | 0.609 | S | S | * | * | trans | -75 | 94.2 | 171.3 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | S2140 P2144 | S2140-S2142 VanDerWaalsContact C-N 3.3Å; S2140-S2142 PolarHBondContact O-N 2.92Å; S2140-S2142 VanDerWaalsContact O-N 3.08Å; S2142-P2144 WeakPolarHBondContact O-CD 3.28Å | ||
| 2143 | Y | 27.2 | Very low | 32.7 | Very low | 182.6 Ų | 182.6 | 110 Ų | 110 | 72% | 0.716 | 64% | 0.641 | S | S | * | * | trans | -75.8 | 139.2 | 165.8 | -76.7 | -79.2 | 0 | 0 | 0 | 109.3 | I2141 S2145 H2349 | I2141-Y2143 VanDerWaalsContact C-N 3.3Å; I2141-Y2143 HydrophobicContact CB-CD2 4.46Å; I2141-Y2143 HydrophobicContact CB-CE2 4.32Å; I2141-Y2143 HydrophobicContact CG2-CD2 3.68Å; I2141-Y2143 HydrophobicContact CG2-CE2 4.14Å; I2141-Y2143 HydrophobicContact CG2-CG 4.34Å; I2141-Y2143 WeakPolarHBondContact O-CD2 3.33Å; I2141-Y2143 PolarHBondContact O-N 3.24Å; Y2143-S2145 PolarHBondContact O-N 3.14Å; Y2143-H2349 PolarHBondContact OH-CE1 3.24Å | ||
| 2144 | P | 27.3 | Very low | 31 | Very low | 106 Ų | 106 | 114.9 Ų | 114.9 | 69% | 0.688 | 66% | 0.664 | S | S | * | * | trans | -65.2 | 136.4 | 175.1 | 28.3 | -33.7 | 0 | 0 | 0 | 109.7 | S2142 V2146 | S2142-P2144 WeakPolarHBondContact O-CD 3.28Å; P2144-V2146 PolarHBondContact O-N 2.93Å; P2144-V2146 VanDerWaalsContact O-N 3.13Å | ||
| 2145 | S | 25.2 | Very low | 29.6 | Very low | 116.2 Ų | 116.2 | 115.1 Ų | 115.1 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | trans | -45.3 | 99.8 | 175.3 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | Y2143 | Y2143-S2145 PolarHBondContact O-N 3.14Š| ||
| 2146 | V | 29.4 | Very low | 28.6 | Very low | 101.8 Ų | 101.8 | 118.5 Ų | 118.5 | 62% | 0.617 | 70% | 0.699 | S | S | * | * | trans | -112.3 | 118.7 | 161.9 | -178.4 | 0 | 0 | 0 | 0 | 106.5 | P2144 I2148 T2268 | P2144-V2146 PolarHBondContact O-N 2.93Å; P2144-V2146 VanDerWaalsContact O-N 3.13Å; V2146-I2148 VanDerWaalsContact C-N 3.28Å; V2146-I2148 HydrophobicContact CB-CG1 4.45Å; V2146-I2148 HydrophobicContact CG1-CD1 4.44Å; V2146-I2148 HydrophobicContact CG1-CG1 4.11Å; V2146-I2148 PolarHBondContact O-N 3.12Å; V2146-T2268 HydrophobicContact CG1-CG2 3.86Å | ||
| 2147 | D | 25.1 | Very low | 28 | Very low | 152.6 Ų | 152.6 | 121 Ų | 121 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | trans | -68.2 | 88.4 | -179.1 | -69 | -52.9 | 0 | 0 | 0 | 111.2 | T2149 | D2147-T2149 PolarHBondContact O-N 2.87Š| ||
| 2148 | I | 30.4 | Very low | 27.8 | Very low | 140 Ų | 140 | 122 Ų | 122 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | trans | -109.5 | 74.8 | 166.3 | -49.6 | -178.7 | 0 | 0 | 0 | 107.7 | V2146 P2150 | V2146-I2148 VanDerWaalsContact C-N 3.28Å; V2146-I2148 HydrophobicContact CB-CG1 4.45Å; V2146-I2148 HydrophobicContact CG1-CD1 4.44Å; V2146-I2148 HydrophobicContact CG1-CG1 4.11Å; V2146-I2148 PolarHBondContact O-N 3.12Å; I2148-P2150 WeakPolarHBondContact O-CD 3.32Å | ||
| 2149 | T | 26.8 | Very low | 27.8 | Very low | 103.2 Ų | 103.2 | 120.8 Ų | 120.8 | 63% | 0.633 | 72% | 0.719 | S | S | * | * | trans | -64 | 124.6 | 163 | 42.1 | 0 | 0 | 0 | 0 | 108.7 | D2147 I2152 | D2147-T2149 PolarHBondContact O-N 2.87Å; T2149-I2152 HydrophobicContact CG2-CD1 4.36Å | ||
| 2150 | P | 28.8 | Very low | 27.8 | Very low | 90.4 Ų | 90.4 | 126 Ų | 126 | 59% | 0.587 | 73% | 0.73 | S | S | * | * | trans | -60.3 | 147.2 | 164.7 | 28.5 | -33.6 | 0 | 0 | 0 | 108.5 | I2148 I2152 P2176 | I2148-P2150 WeakPolarHBondContact O-CD 3.32Å; P2150-I2152 PolarHBondContact O-N 3.22Å; P2150-P2176 HydrophobicContact CG-CB 3.79Å; P2150-P2176 HydrophobicContact CG-CG 3.67Å | ||
| 2151 | P | 28.8 | Very low | 28.1 | Very low | 104 Ų | 104 | 126 Ų | 126 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | trans | -61.5 | 111.8 | -175.5 | 24.6 | -33.4 | 0 | 0 | 0 | 110.1 | F2153 | P2151-F2153 HydrophobicContact CB-CD2 3.78Å; P2151-F2153 HydrophobicContact CB-CE2 3.66Å; P2151-F2153 HydrophobicContact CG-CD2 3.87Å; P2151-F2153 HydrophobicContact CG-CE2 3.73Å; P2151-F2153 PolarHBondContact O-N 3.13Å | ||
| 2152 | I | 29.5 | Very low | 28 | Very low | 113.4 Ų | 113.4 | 126.2 Ų | 126.2 | 58% | 0.582 | 74% | 0.736 | S | S | * | * | trans | -67.1 | 110.2 | 178.1 | -59.4 | 172.1 | 0 | 0 | 0 | 108.1 | T2149 P2150 H2154 | T2149-I2152 HydrophobicContact CG2-CD1 4.36Å; P2150-I2152 PolarHBondContact O-N 3.22Å; I2152-H2154 VanDerWaalsContact C-N 3.28Å; I2152-H2154 VanDerWaalsContact CG2-CD2 3.43Å; I2152-H2154 WeakPolarHBondContact CG2-CD2 3.4Å; I2152-H2154 PolarHBondContact O-CD2 3.44Å; I2152-H2154 VanDerWaalsContact O-CD2 3.32Å; I2152-H2154 PolarHBondContact O-N 3.09Å | ||
| 2153 | F | 28.5 | Very low | 28.3 | Very low | 173.4 Ų | 173.4 | 128.1 Ų | 128.1 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | trans | -68.1 | 83.5 | 165.3 | -87.7 | -84.4 | 0 | 0 | 0 | 109.2 | P2080 P2151 C2155 | P2080-F2153 HydrophobicContact CG-CE2 3.94Å; P2080-F2153 HydrophobicContact CG-CZ 3.97Å; P2151-F2153 HydrophobicContact CB-CD2 3.78Å; P2151-F2153 HydrophobicContact CB-CE2 3.66Å; P2151-F2153 HydrophobicContact CG-CD2 3.87Å; P2151-F2153 HydrophobicContact CG-CE2 3.73Å; P2151-F2153 PolarHBondContact O-N 3.13Å; F2153-C2155 PolarHBondContact O-N 3.31Å; F2153-C2155 VanDerWaalsContact O-N 3.09Å | ||
| 2154 | H | 27.2 | Very low | 28.3 | Very low | 159.2 Ų | 159.2 | 128.5 Ų | 128.5 | 74% | 0.737 | 75% | 0.746 | S | S | * | * | trans | -64.8 | 101.5 | 166.3 | -80.6 | -72.2 | 0 | 0 | 0 | 109.4 | I2152 A2156 | I2152-H2154 VanDerWaalsContact C-N 3.28Å; I2152-H2154 VanDerWaalsContact CG2-CD2 3.43Å; I2152-H2154 WeakPolarHBondContact CG2-CD2 3.4Å; I2152-H2154 PolarHBondContact O-CD2 3.44Å; I2152-H2154 VanDerWaalsContact O-CD2 3.32Å; I2152-H2154 PolarHBondContact O-N 3.09Å; H2154-A2156 PolarHBondContact O-N 3.14Å | ||
| 2155 | C | 26.1 | Very low | 28.4 | Very low | 110.6 Ų | 110.6 | 128.8 Ų | 128.8 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | trans | -60.9 | 123.4 | 160.6 | -156.6 | 0 | 0 | 0 | 0 | 108.4 | F2153 T2157 | F2153-C2155 PolarHBondContact O-N 3.31Å; F2153-C2155 VanDerWaalsContact O-N 3.09Å; C2155-T2157 VanDerWaalsContact C-N 3.33Å; C2155-T2157 PolarHBondContact O-N 3.11Å | ||
| 2156 | A | 26 | Very low | 28.6 | Very low | 96.6 Ų | 96.6 | 128.6 Ų | 128.6 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | -75.7 | 103.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | H2154 | H2154-A2156 PolarHBondContact O-N 3.14Š| ||
| 2157 | T | 27.4 | Very low | 28.6 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -105.7 | 99.3 | 169.5 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | C2155 P2159 | C2155-T2157 VanDerWaalsContact C-N 3.33Å; C2155-T2157 PolarHBondContact O-N 3.11Å; T2157-P2159 VanDerWaalsContact O-CD 3.25Å; T2157-P2159 WeakPolarHBondContact O-CD 3.38Å | ||
| 2158 | S | 28.9 | Very low | 28.7 | Very low | 108.6 Ų | 108.6 | 131 Ų | 131 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -125.8 | 142 | 166.4 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | E2160 | S2158-E2160 PolarHBondContact O-N 3.04Š| ||
| 2159 | P | 30.8 | Very low | 28.7 | Very low | 118.8 Ų | 118.8 | 134 Ų | 134 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | -111.8 | 139.5 | -156.2 | 33.8 | -24.2 | 0 | 0 | 0 | 112.7 | T2157 S2161 | T2157-P2159 VanDerWaalsContact O-CD 3.25Å; T2157-P2159 WeakPolarHBondContact O-CD 3.38Å; P2159-S2161 PolarHBondContact O-N 2.99Å | ||
| 2160 | E | 30.2 | Very low | 28.7 | Very low | 190.8 Ų | 190.8 | 138.5 Ų | 138.5 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | trans | -44.7 | 102.9 | 167.4 | -76 | 176.9 | 167.9 | 0 | 0 | 114.9 | S2158 | S2158-E2160 PolarHBondContact O-N 3.04Š| ||
| 2161 | S | 32.4 | Very low | 28.6 | Very low | 112.2 Ų | 112.2 | 139.3 Ų | 139.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | -168.3 | 137.4 | 121.7 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | P2159 D2163 | P2159-S2161 PolarHBondContact O-N 2.99Å; S2161-D2163 PolarHBondContact O-N 2.93Å | |||
| 2162 | T | 28.4 | Very low | 28.5 | Very low | 125.6 Ų | 125.6 | 138.8 Ų | 138.8 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | -5.9 | 132.4 | 162.9 | 37.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2163 | D | 30.2 | Very low | 28.5 | Very low | 156.8 Ų | 156.8 | 139.2 Ų | 139.2 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | -170 | 148.3 | 93.5 | -91.9 | -26.2 | 0 | 0 | 0 | 114.6 | S2161 S2165 | S2161-D2163 PolarHBondContact O-N 2.93Å; D2163-S2165 PolarHBondContact O-N 3.17Å | |||
| 2164 | Q | 27.9 | Very low | 28.6 | Very low | 190.8 Ų | 190.8 | 136.2 Ų | 136.2 | 89% | 0.892 | 79% | 0.794 | S | S | * | * | trans | -90.4 | 124.3 | -176.9 | -64.7 | 169.2 | -27.3 | 0 | 0 | 113.3 | ||||
| 2165 | S | 28.6 | Very low | 28.7 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | 172.4 | 144.3 | 144.3 | 55.4 | 0 | 0 | 0 | 0 | 115.2 | D2163 | D2163-S2165 PolarHBondContact O-N 3.17Š| ||
| 2166 | S | 29.7 | Very low | 29.4 | Very low | 111.2 Ų | 111.2 | 135.3 Ų | 135.3 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | trans | 66.2 | 110.5 | 169.1 | 63.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2167 | L | 28.3 | Very low | 30.1 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -156.5 | 132.5 | 144 | -100.2 | 102.4 | 0 | 0 | 0 | 115.2 | ||||
| 2168 | D | 27.4 | Very low | 31.1 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 58.7 | 93.8 | 155 | -59.6 | -33.2 | 0 | 0 | 0 | 116.1 | ||||
| 2169 | K | 31.3 | Very low | 32.3 | Very low | 202.6 Ų | 202.6 | 129.7 Ų | 129.7 | 88% | 0.881 | 72% | 0.724 | S | S | * | * | trans | -147.2 | 96.3 | 152.2 | -83.3 | -175.5 | 179.4 | -179.9 | 0 | 111.1 | S2171 | K2169-S2171 PolarHBondContact O-N 3.09Å; K2169-S2171 VanDerWaalsContact O-N 3.15Å | ||
| 2170 | E | 25.9 | Very low | 33.5 | Very low | 199.4 Ų | 199.4 | 127.1 Ų | 127.1 | 93% | 0.932 | 71% | 0.706 | S | S | * | * | trans | -85.7 | 104.6 | 167.4 | -68.3 | -174.2 | 135.9 | 0 | 0 | 109.9 | A2172 | E2170-A2172 PolarHBondContact O-N 3.07Š| ||
| 2171 | S | 27.7 | Very low | 34.8 | Very low | 106.6 Ų | 106.6 | 124.6 Ų | 124.6 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | trans | -126.4 | 109.7 | 165.1 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | K2169 C2173 | K2169-S2171 PolarHBondContact O-N 3.09Å; K2169-S2171 VanDerWaalsContact O-N 3.15Å; S2171-C2173 PolarHBondContact O-N 3.21Å | ||
| 2172 | A | 26.8 | Very low | 36.1 | Very low | 93.8 Ų | 93.8 | 123.4 Ų | 123.4 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | trans | -72.4 | 85.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E2170 L2174 | E2170-A2172 PolarHBondContact O-N 3.07Å; A2172-L2174 VanDerWaalsContact C-N 3.33Å; A2172-L2174 PolarHBondContact O-N 2.8Å | ||
| 2173 | C | 28.6 | Very low | 38 | Very low | 121.4 Ų | 121.4 | 117.6 Ų | 117.6 | 82% | 0.82 | 64% | 0.64 | S | S | * | * | trans | -109.1 | 106.7 | 153.5 | -82.3 | 0 | 0 | 0 | 0 | 109.5 | S2171 | S2171-C2173 PolarHBondContact O-N 3.21Š| ||
| 2174 | L | 30.3 | Very low | 39.7 | Very low | 109.6 Ų | 109.6 | 113.7 Ų | 113.7 | 57% | 0.574 | 62% | 0.617 | S | S | * | * | trans | -66.8 | 127 | 169 | -81.5 | 156.7 | 0 | 0 | 0 | 110.3 | Y2020 A2172 P2176 T2178 | Y2020-L2174 WeakPolarHBondContact OH-CD2 3.16Å; A2172-L2174 VanDerWaalsContact C-N 3.33Å; A2172-L2174 PolarHBondContact O-N 2.8Å; L2174-P2176 VanDerWaalsContact O-CD 3.25Å; L2174-P2176 WeakPolarHBondContact O-CD 3.28Å; L2174-T2178 HydrophobicContact CD1-CG2 4.41Å; L2174-T2178 HydrophobicContact CD2-CG2 4.1Å | ||
| 2175 | R | 30.6 | Very low | 41.7 | Very low | 171.2 Ų | 171.2 | 110.5 Ų | 110.5 | 65% | 0.646 | 61% | 0.61 | S | S | * | * | trans | -69 | 136.6 | 173.7 | -73.7 | -176.5 | 178.2 | 172.5 | -1.4 | 109.9 | D2120 E2121 D2177 T2178 I2179 | D2120-R2175 PolarHBondContact O-NH1 3.01Å; E2121-R2175 IonicContact OE1-NH2 3.56Å; E2121-R2175 PolarHBondContact OE1-NH2 3.07Å; R2175-D2177 PolarHBondContact O-N 3.06Å; R2175-D2177 VanDerWaalsContact O-N 3.1Å; R2175-T2178 WeakPolarHBondContact O-CB 3.37Å; R2175-T2178 PolarHBondContact O-N 3.13Å; R2175-T2178 PolarHBondContact O-OG1 3.25Å; R2175-I2179 HydrophobicContact CB-CD1 4.34Å; R2175-I2179 HydrophobicContact CG-CD1 4.25Å | ||
| 2176 | P | 40.2 | Very low | 43.8 | Very low | 81.2 Ų | 81.2 | 106.6 Ų | 106.6 | 53% | 0.527 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.3 | -45.4 | -178.1 | -25.1 | 34.1 | 0 | 0 | 0 | 114.1 | P2150 L2174 T2178 I2179 V2180 | P2150-P2176 HydrophobicContact CG-CB 3.79Å; P2150-P2176 HydrophobicContact CG-CG 3.67Å; L2174-P2176 VanDerWaalsContact O-CD 3.25Å; L2174-P2176 WeakPolarHBondContact O-CD 3.28Å; P2176-T2178 PolarHBondContact O-N 3.21Å; P2176-I2179 PolarHBondContact O-N 3.01Å; P2176-I2179 VanDerWaalsContact O-N 3.08Å; P2176-V2180 PolarHBondContact O-N 3.33Å |
| 2177 | D | 40.9 | Very low | 46 | Very low | 106.4 Ų | 106.4 | 103.8 Ų | 103.8 | 57% | 0.569 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -50.6 | -30.2 | 178.9 | -43 | -41.6 | 0 | 0 | 0 | 113.7 | R2175 I2179 V2180 H2181 | R2175-D2177 PolarHBondContact O-N 3.06Å; R2175-D2177 VanDerWaalsContact O-N 3.1Å; D2177-I2179 VanDerWaalsContact C-N 3.31Å; D2177-I2179 PolarHBondContact O-N 2.92Å; D2177-V2180 PolarHBondContact O-N 3.4Å; D2177-H2181 WeakPolarHBondContact O-CB 3.3Å; D2177-H2181 PolarHBondContact O-CD2 3.13Å; D2177-H2181 PolarHBondContact O-N 3.1Å; D2177-H2181 VanDerWaalsContact O-N 3.09Å |
| 2178 | T | 48 | Very low | 48.2 | Very low | 61.4 Ų | 61.4 | 99.7 Ų | 99.7 | 38% | 0.377 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | -178.4 | -21.2 | 0 | 0 | 0 | 0 | 112.6 | L2174 R2175 P2176 H2181 Q2182 | L2174-T2178 HydrophobicContact CD1-CG2 4.41Å; L2174-T2178 HydrophobicContact CD2-CG2 4.1Å; R2175-T2178 WeakPolarHBondContact O-CB 3.37Å; R2175-T2178 PolarHBondContact O-N 3.13Å; R2175-T2178 PolarHBondContact O-OG1 3.25Å; P2176-T2178 PolarHBondContact O-N 3.21Å; T2178-H2181 PolarHBondContact O-N 3.49Å; T2178-Q2182 WeakPolarHBondContact O-CB 3.27Å; T2178-Q2182 VanDerWaalsContact O-CG 3.32Å; T2178-Q2182 WeakPolarHBondContact O-CG 3.23Å; T2178-Q2182 PolarHBondContact O-N 3.19Å; T2178-Q2182 VanDerWaalsContact O-N 3.1Å |
| 2179 | I | 53.7 | Low | 50.5 | Low | 46.4 Ų | 46.4 | 99.3 Ų | 99.3 | 24% | 0.238 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -72.1 | -43.7 | -177.9 | -61.9 | 175.4 | 0 | 0 | 0 | 109.9 | P2080 L2084 M2128 R2175 P2176 D2177 H2181 Q2182 F2183 | P2080-I2179 HydrophobicContact CB-CD1 4.27Å; L2084-I2179 HydrophobicContact CD2-CG2 4.09Å; M2128-I2179 HydrophobicContact CE-CG2 3.91Å; R2175-I2179 HydrophobicContact CB-CD1 4.34Å; R2175-I2179 HydrophobicContact CG-CD1 4.25Å; P2176-I2179 PolarHBondContact O-N 3.01Å; P2176-I2179 VanDerWaalsContact O-N 3.08Å; D2177-I2179 VanDerWaalsContact C-N 3.31Å; D2177-I2179 PolarHBondContact O-N 2.92Å; I2179-H2181 VanDerWaalsContact C-N 3.34Å; I2179-H2181 PolarHBondContact O-N 3.18Å; I2179-Q2182 WeakPolarHBondContact O-CB 3.37Å; I2179-Q2182 PolarHBondContact O-N 3.17Å; I2179-Q2182 VanDerWaalsContact O-N 3.15Å; I2179-F2183 HydrophobicContact CG2-CD2 4.33Å; I2179-F2183 HydrophobicContact CG2-CE1 3.95Å; I2179-F2183 HydrophobicContact CG2-CE2 3.59Å; I2179-F2183 VanDerWaalsContact CG2-CE2 3.42Å; I2179-F2183 HydrophobicContact CG2-CZ 3.47Å; I2179-F2183 WeakPolarHBondContact O-CB 3.33Å; I2179-F2183 PolarHBondContact O-N 3.02Å |
| 2180 | V | 56.7 | Low | 52.8 | Low | 64.6 Ų | 64.6 | 91.6 Ų | 91.6 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 111 | M2128 P2176 D2177 Q2182 F2183 H2184 | M2128-V2180 HydrophobicContact CE-CG2 4.35Å; P2176-V2180 PolarHBondContact O-N 3.33Å; D2177-V2180 PolarHBondContact O-N 3.4Å; V2180-Q2182 VanDerWaalsContact C-N 3.28Å; V2180-Q2182 PolarHBondContact O-N 3.37Å; V2180-F2183 PolarHBondContact O-N 3.02Å; V2180-H2184 VanDerWaalsContact CG1-CE1 3.48Å; V2180-H2184 WeakPolarHBondContact CG1-CE1 3.23Å; V2180-H2184 WeakPolarHBondContact O-CB 3.36Å; V2180-H2184 PolarHBondContact O-CD2 3.12Å; V2180-H2184 VanDerWaalsContact O-CD2 3.22Å; V2180-H2184 PolarHBondContact O-N 3.25Å; V2180-H2184 PolarHBondContact O-ND1 3.2Å |
| 2181 | H | 56.3 | Low | 55.5 | Low | 137.4 Ų | 137.4 | 82.9 Ų | 82.9 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.1 | -35.2 | 177.1 | -116.2 | -55.6 | 0 | 0 | 0 | 113.3 | D2177 T2178 I2179 F2183 H2184 V2185 | D2177-H2181 WeakPolarHBondContact O-CB 3.3Å; D2177-H2181 PolarHBondContact O-CD2 3.13Å; D2177-H2181 PolarHBondContact O-N 3.1Å; D2177-H2181 VanDerWaalsContact O-N 3.09Å; T2178-H2181 PolarHBondContact O-N 3.49Å; I2179-H2181 VanDerWaalsContact C-N 3.34Å; I2179-H2181 PolarHBondContact O-N 3.18Å; H2181-F2183 VanDerWaalsContact C-N 3.34Å; H2181-H2184 PolarHBondContact O-N 2.95Å; H2181-V2185 WeakPolarHBondContact O-CG2 3.23Å; H2181-V2185 PolarHBondContact O-N 3.19Å |
| 2182 | Q | 60.8 | Low | 58.2 | Low | 87.6 Ų | 87.6 | 78.2 Ų | 78.2 | 41% | 0.409 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 175.4 | -74.5 | 176.9 | -2.8 | 0 | 0 | 111.3 | L2084 T2178 I2179 V2180 H2184 V2185 M2186 | L2084-Q2182 HydrophobicContact CD2-CB 4.03Å; L2084-Q2182 HydrophobicContact CD2-CG 4.41Å; L2084-Q2182 HydrophobicContact CG-CB 4.34Å; T2178-Q2182 WeakPolarHBondContact O-CB 3.27Å; T2178-Q2182 VanDerWaalsContact O-CG 3.32Å; T2178-Q2182 WeakPolarHBondContact O-CG 3.23Å; T2178-Q2182 PolarHBondContact O-N 3.19Å; T2178-Q2182 VanDerWaalsContact O-N 3.1Å; I2179-Q2182 WeakPolarHBondContact O-CB 3.37Å; I2179-Q2182 PolarHBondContact O-N 3.17Å; I2179-Q2182 VanDerWaalsContact O-N 3.15Å; V2180-Q2182 VanDerWaalsContact C-N 3.28Å; V2180-Q2182 PolarHBondContact O-N 3.37Å; Q2182-H2184 VanDerWaalsContact C-N 3.34Å; Q2182-H2184 PolarHBondContact O-N 3.07Å; Q2182-V2185 PolarHBondContact O-N 3.29Å; Q2182-M2186 WeakPolarHBondContact O-CG 3.27Å; Q2182-M2186 PolarHBondContact O-N 3.06Å |
| 2183 | F | 67.7 | Low | 60.9 | Low | 4.2 Ų | 4.2 | 75.9 Ų | 75.9 | 2% | 0.018 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 178.3 | -131.7 | -75.4 | 0 | 0 | 0 | 112.5 | L2084 W2124 M2128 D2131 R2132 I2179 V2180 H2181 V2185 M2186 K2191 L2194 I2195 | L2084-F2183 HydrophobicContact CD1-CD1 4.35Å; L2084-F2183 HydrophobicContact CD1-CE1 4Å; L2084-F2183 HydrophobicContact CD2-CE1 4.03Å; W2124-F2183 AromaticContact CE2-CZ 3.93Å; W2124-F2183 HydrophobicContact CZ2-CE1 4.21Å; W2124-F2183 HydrophobicContact CZ2-CZ 4.32Å; W2124-F2183 AromaticContact NE1-CE1 3.93Å; W2124-F2183 AromaticContact NE1-CZ 3.49Å; M2128-F2183 HydrophobicContact CB-CE1 4.21Å; M2128-F2183 HydrophobicContact CB-CE2 4.24Å; M2128-F2183 HydrophobicContact CB-CZ 3.94Å; M2128-F2183 HydrophobicContact CE-CB 4.46Å; M2128-F2183 HydrophobicContact CE-CD1 3.77Å; M2128-F2183 VanDerWaalsContact CE-CD1 3.49Å; M2128-F2183 HydrophobicContact CE-CE1 3.73Å; M2128-F2183 HydrophobicContact CE-CG 4.24Å; M2128-F2183 HydrophobicContact CE-CZ 4.47Å; M2128-F2183 HydrophobicContact CG-CD2 4.41Å; M2128-F2183 HydrophobicContact CG-CE2 4.41Å; M2128-F2183 WeakPolarHBondContact O-CE1 3.44Å; M2128-F2183 HydrophobicContact SD-CB 3.95Å; M2128-F2183 HydrophobicContact SD-CD1 3.77Å; M2128-F2183 VanDerWaalsContact SD-CD1 3.58Å; M2128-F2183 HydrophobicContact SD-CD2 3.87Å; M2128-F2183 WeakPolarHBondContact SD-CD2 3.4Å; M2128-F2183 HydrophobicContact SD-CE1 4.19Å; M2128-F2183 HydrophobicContact SD-CE2 4.01Å; M2128-F2183 HydrophobicContact SD-CG 3.59Å; M2128-F2183 VanDerWaalsContact SD-CG 3.55Å; M2128-F2183 WeakPolarHBondContact SD-CG 3.36Å; M2128-F2183 HydrophobicContact SD-CZ 4.22Å; D2131-F2183 HydrophobicContact CB-CB 4.45Å; D2131-F2183 HydrophobicContact CB-CD1 4.27Å; D2131-F2183 HydrophobicContact CB-CE1 4.29Å; D2131-F2183 WeakPolarHBondContact OD2-CB 3.48Å; R2132-F2183 HydrophobicContact CB-CE1 4.41Å; I2179-F2183 HydrophobicContact CG2-CD2 4.33Å; I2179-F2183 HydrophobicContact CG2-CE1 3.95Å; I2179-F2183 HydrophobicContact CG2-CE2 3.59Å; I2179-F2183 VanDerWaalsContact CG2-CE2 3.42Å; I2179-F2183 HydrophobicContact CG2-CZ 3.47Å; I2179-F2183 WeakPolarHBondContact O-CB 3.33Å; I2179-F2183 PolarHBondContact O-N 3.02Å; V2180-F2183 PolarHBondContact O-N 3.02Å; H2181-F2183 VanDerWaalsContact C-N 3.34Å; F2183-V2185 VanDerWaalsContact C-N 3.27Å; F2183-V2185 PolarHBondContact O-N 3.12Å; F2183-V2185 VanDerWaalsContact O-N 3.13Å; F2183-M2186 HydrophobicContact CB-CE 4.29Å; F2183-M2186 HydrophobicContact CB-SD 4.5Å; F2183-M2186 HydrophobicContact CD1-SD 4.08Å; F2183-M2186 HydrophobicContact CD2-CE 3.76Å; F2183-M2186 HydrophobicContact CD2-SD 4.08Å; F2183-M2186 HydrophobicContact CE2-CE 4.26Å; F2183-M2186 HydrophobicContact CG-CE 4.31Å; F2183-M2186 WeakPolarHBondContact O-CB 3.34Å; F2183-M2186 PolarHBondContact O-N 3.16Å; F2183-M2186 VanDerWaalsContact O-N 3.12Å; F2183-K2191 HydrophobicContact CD2-CG 4.33Å; F2183-K2191 HydrophobicContact CE1-CD 4.3Å; F2183-K2191 HydrophobicContact CE1-CG 4.28Å; F2183-K2191 HydrophobicContact CE2-CB 4.16Å; F2183-K2191 HydrophobicContact CE2-CG 3.8Å; F2183-K2191 HydrophobicContact CZ-CB 4.08Å; F2183-K2191 HydrophobicContact CZ-CD 4.3Å; F2183-K2191 HydrophobicContact CZ-CG 3.78Å; F2183-K2191 WeakPolarHBondContact O-CE 3.43Å; F2183-K2191 PolarHBondContact O-NZ 2.97Å; F2183-L2194 HydrophobicContact CD2-CD2 4.18Å; F2183-L2194 HydrophobicContact CE2-CD2 4.27Å; F2183-I2195 HydrophobicContact CZ-CD1 4.22Å |
| 2184 | H | 67.3 | Low | 63.6 | Low | 74.8 Ų | 74.8 | 70.2 Ų | 70.2 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.6 | -34.9 | -178.3 | -108.5 | -13.5 | 0 | 0 | 0 | 113.4 | D2131 G2135 V2180 H2181 Q2182 K2191 | D2131-H2184 IonicContact OD1-CD2 2.72Å; D2131-H2184 IonicContact OD1-CE1 3.6Å; D2131-H2184 PolarHBondContact OD1-CE1 3.14Å; D2131-H2184 IonicContact OD1-CG 2.85Å; D2131-H2184 IonicContact OD1-ND1 3.32Å; D2131-H2184 PolarHBondContact OD1-ND1 3.27Å; D2131-H2184 IonicContact OD1-NE2 2.78Å; D2131-H2184 IonicContact OD2-CE1 2.68Å; G2135-H2184 VanDerWaalsContact CA-CE1 3.46Å; G2135-H2184 WeakPolarHBondContact CA-CE1 2.99Å; G2135-H2184 PolarHBondContact O-CE1 2.87Å; G2135-H2184 PolarHBondContact O-NE2 2.86Å; V2180-H2184 VanDerWaalsContact CG1-CE1 3.48Å; V2180-H2184 WeakPolarHBondContact CG1-CE1 3.23Å; V2180-H2184 WeakPolarHBondContact O-CB 3.36Å; V2180-H2184 PolarHBondContact O-CD2 3.12Å; V2180-H2184 VanDerWaalsContact O-CD2 3.22Å; V2180-H2184 PolarHBondContact O-N 3.25Å; V2180-H2184 PolarHBondContact O-ND1 3.2Å; H2181-H2184 PolarHBondContact O-N 2.95Å; Q2182-H2184 VanDerWaalsContact C-N 3.34Å; Q2182-H2184 PolarHBondContact O-N 3.07Å; H2184-K2191 PolarHBondContact O-NZ 3.16Å |
| 2185 | V | 68.2 | Low | 66.3 | Low | 122.8 Ų | 122.8 | 65 Ų | 65 | 74% | 0.744 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -80.2 | -17.4 | -176.8 | -180 | 0 | 0 | 0 | 0 | 113.3 | H2181 Q2182 F2183 | H2181-V2185 WeakPolarHBondContact O-CG2 3.23Å; H2181-V2185 PolarHBondContact O-N 3.19Å; Q2182-V2185 PolarHBondContact O-N 3.29Å; F2183-V2185 VanDerWaalsContact C-N 3.27Å; F2183-V2185 PolarHBondContact O-N 3.12Å; F2183-V2185 VanDerWaalsContact O-N 3.13Å |
| 2186 | M | 73.4 | Confident | 69 | Low | 30.2 Ų | 30.2 | 57.2 Ų | 57.2 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -68.9 | 151.4 | -178.2 | -71.9 | 171.6 | 42 | 0 | 0 | 113.7 | L2084 I2087 M2128 Q2182 F2183 D2190 K2191 L2194 | L2084-M2186 HydrophobicContact CD1-CE 3.96Å; L2084-M2186 HydrophobicContact CD1-SD 3.78Å; L2084-M2186 VanDerWaalsContact CD1-SD 3.56Å; L2084-M2186 HydrophobicContact CG-CE 3.97Å; I2087-M2186 HydrophobicContact CD1-CE 3.39Å; I2087-M2186 VanDerWaalsContact CD1-CE 3.43Å; I2087-M2186 HydrophobicContact CD1-CG 4.07Å; I2087-M2186 HydrophobicContact CD1-SD 4.02Å; I2087-M2186 WeakPolarHBondContact CD1-SD 3.14Å; I2087-M2186 HydrophobicContact CG2-CE 4.37Å; I2087-M2186 HydrophobicContact CG2-SD 4.28Å; M2128-M2186 HydrophobicContact CE-CE 4.02Å; M2128-M2186 HydrophobicContact CE-SD 4.09Å; Q2182-M2186 WeakPolarHBondContact O-CG 3.27Å; Q2182-M2186 PolarHBondContact O-N 3.06Å; F2183-M2186 HydrophobicContact CB-CE 4.29Å; F2183-M2186 HydrophobicContact CB-SD 4.5Å; F2183-M2186 HydrophobicContact CD1-SD 4.08Å; F2183-M2186 HydrophobicContact CD2-CE 3.76Å; F2183-M2186 HydrophobicContact CD2-SD 4.08Å; F2183-M2186 HydrophobicContact CE2-CE 4.26Å; F2183-M2186 HydrophobicContact CG-CE 4.31Å; F2183-M2186 WeakPolarHBondContact O-CB 3.34Å; F2183-M2186 PolarHBondContact O-N 3.16Å; F2183-M2186 VanDerWaalsContact O-N 3.12Å; M2186-D2190 HydrophobicContact CB-CB 4.17Å; M2186-D2190 VanDerWaalsContact CE-C 3.47Å; M2186-D2190 HydrophobicContact CE-CB 3.91Å; M2186-D2190 WeakPolarHBondContact CE-O 3.41Å; M2186-D2190 HydrophobicContact CG-CB 4.28Å; M2186-D2190 HydrophobicContact SD-CB 4.07Å; M2186-K2191 HydrophobicContact CB-CG 4.06Å; M2186-K2191 HydrophobicContact CE-CB 4.39Å; M2186-K2191 HydrophobicContact CE-CG 4.12Å; M2186-K2191 VanDerWaalsContact O-CE 3.27Å; M2186-K2191 WeakPolarHBondContact O-CE 3.36Å; M2186-K2191 PolarHBondContact O-NZ 2.95Å; M2186-L2194 HydrophobicContact CE-CB 4.29Å; M2186-L2194 HydrophobicContact CE-CD1 3.75Å; M2186-L2194 HydrophobicContact CE-CD2 4.08Å; M2186-L2194 HydrophobicContact CE-CG 4.45Å; M2186-L2194 HydrophobicContact SD-CD2 4.48Å |
| 2187 | S | 75.6 | Confident | 71.3 | Confident | 53.2 Ų | 53.2 | 53.3 Ų | 53.3 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | trans | -67.2 | 158.4 | 172.4 | 86 | 0 | 0 | 0 | 0 | 111.5 | E2189 D2190 K2191 | S2187-E2189 VanDerWaalsContact C-N 3.27Å; S2187-E2189 PolarHBondContact O-N 3.07Å; S2187-E2189 PolarHBondContact OG-N 3.1Å; S2187-D2190 VanDerWaalsContact CB-OD2 3.26Å; S2187-D2190 WeakPolarHBondContact CB-OD2 3.44Å; S2187-D2190 PolarHBondContact N-OD2 2.75Å; S2187-D2190 PolarHBondContact O-N 3.18Å; S2187-D2190 VanDerWaalsContact O-N 3.16Å; S2187-D2190 WeakPolarHBondContact OG-CB 3.31Å; S2187-D2190 VanDerWaalsContact OG-CG 3.27Å; S2187-D2190 PolarHBondContact OG-N 3.2Å; S2187-D2190 VanDerWaalsContact OG-N 3.12Å; S2187-D2190 PolarHBondContact OG-OD2 3.28Å; S2187-K2191 WeakPolarHBondContact O-CB 3.23Å; S2187-K2191 WeakPolarHBondContact O-CD 3.23Å; S2187-K2191 VanDerWaalsContact O-CG 3.25Å; S2187-K2191 WeakPolarHBondContact O-CG 3.41Å; S2187-K2191 PolarHBondContact O-N 3.13Å | ||
| 2188 | I | 74.9 | Confident | 73.6 | Confident | 71 Ų | 71 | 48.5 Ų | 48.5 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.3 | -31.5 | 176.8 | -76.6 | 153.4 | 0 | 0 | 0 | 111.2 | R2132 K2191 D2192 N2355 | R2132-I2188 HydrophobicContact CG-CD1 4.18Å; I2188-K2191 HydrophobicContact CD1-CD 4.37Å; I2188-K2191 PolarHBondContact O-N 3.18Å; I2188-D2192 WeakPolarHBondContact O-CB 3.38Å; I2188-D2192 PolarHBondContact O-N 3.31Å; I2188-N2355 HydrophobicContact CD1-CB 3.98Å; I2188-N2355 WeakPolarHBondContact CD1-OD1 3.23Å |
| 2189 | E | 75.8 | Confident | 75.5 | Confident | 138.6 Ų | 138.6 | 45.6 Ų | 45.6 | 65% | 0.648 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -70.6 | -38.3 | 177.8 | -61.5 | -176.3 | 176.2 | 0 | 0 | 111.8 | S2187 D2192 T2193 N2450 | S2187-E2189 VanDerWaalsContact C-N 3.27Å; S2187-E2189 PolarHBondContact O-N 3.07Å; S2187-E2189 PolarHBondContact OG-N 3.1Å; E2189-D2192 PolarHBondContact O-N 3.1Å; E2189-T2193 WeakPolarHBondContact O-CB 3.41Å; E2189-T2193 WeakPolarHBondContact O-CG2 3.32Å; E2189-T2193 PolarHBondContact O-N 3.12Å; E2189-T2193 PolarHBondContact O-OG1 3Å; E2189-N2450 PolarHBondContact OE1-ND2 3.3Å |
| 2190 | D | 80.2 | Confident | 77.2 | Confident | 42.2 Ų | 42.2 | 45.7 Ų | 45.7 | 23% | 0.226 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -44.2 | 173.3 | -61.6 | -55.3 | 0 | 0 | 0 | 111 | I2087 M2186 S2187 D2192 T2193 L2194 | I2087-D2190 HydrophobicContact CD1-CB 4.14Å; I2087-D2190 WeakPolarHBondContact CD1-O 3.29Å; I2087-D2190 HydrophobicContact CG2-CB 4.17Å; I2087-D2190 WeakPolarHBondContact CG2-OD1 3.38Å; M2186-D2190 HydrophobicContact CB-CB 4.17Å; M2186-D2190 VanDerWaalsContact CE-C 3.47Å; M2186-D2190 HydrophobicContact CE-CB 3.91Å; M2186-D2190 WeakPolarHBondContact CE-O 3.41Å; M2186-D2190 HydrophobicContact CG-CB 4.28Å; M2186-D2190 HydrophobicContact SD-CB 4.07Å; S2187-D2190 VanDerWaalsContact CB-OD2 3.26Å; S2187-D2190 WeakPolarHBondContact CB-OD2 3.44Å; S2187-D2190 PolarHBondContact N-OD2 2.75Å; S2187-D2190 PolarHBondContact O-N 3.18Å; S2187-D2190 VanDerWaalsContact O-N 3.16Å; S2187-D2190 WeakPolarHBondContact OG-CB 3.31Å; S2187-D2190 VanDerWaalsContact OG-CG 3.27Å; S2187-D2190 PolarHBondContact OG-N 3.2Å; S2187-D2190 VanDerWaalsContact OG-N 3.12Å; S2187-D2190 PolarHBondContact OG-OD2 3.28Å; D2190-D2192 VanDerWaalsContact C-N 3.33Å; D2190-D2192 PolarHBondContact O-N 3.06Å; D2190-T2193 WeakPolarHBondContact CA-OG1 3.25Å; D2190-T2193 WeakPolarHBondContact O-CB 3.49Å; D2190-T2193 PolarHBondContact O-N 3.23Å; D2190-T2193 VanDerWaalsContact O-N 3.14Å; D2190-T2193 PolarHBondContact O-OG1 3.3Å; D2190-L2194 VanDerWaalsContact O-CB 3.26Å; D2190-L2194 WeakPolarHBondContact O-CB 3.44Å; D2190-L2194 PolarHBondContact O-N 3.06Å |
| 2191 | K | 81.9 | Confident | 78.9 | Confident | 17 Ų | 17 | 42.6 Ų | 42.6 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.9 | -48.3 | 174.3 | -70 | 174.8 | -179.8 | 169.5 | 0 | 111.4 | M2128 D2131 R2132 F2183 H2184 M2186 S2187 I2188 T2193 L2194 I2195 | M2128-K2191 HydrophobicContact CE-CB 3.95Å; M2128-K2191 HydrophobicContact CE-CD 4.23Å; M2128-K2191 HydrophobicContact CE-CG 3.89Å; M2128-K2191 HydrophobicContact SD-CB 4.19Å; M2128-K2191 HydrophobicContact SD-CD 4.07Å; M2128-K2191 HydrophobicContact SD-CG 3.8Å; D2131-K2191 IonicContact OD1-NZ 2.78Å; D2131-K2191 WeakPolarHBondContact OD2-CE 3.42Å; D2131-K2191 IonicContact OD2-NZ 3.34Å; D2131-K2191 PolarHBondContact OD2-NZ 3.33Å; R2132-K2191 HydrophobicContact CB-CD 4.48Å; F2183-K2191 HydrophobicContact CD2-CG 4.33Å; F2183-K2191 HydrophobicContact CE1-CD 4.3Å; F2183-K2191 HydrophobicContact CE1-CG 4.28Å; F2183-K2191 HydrophobicContact CE2-CB 4.16Å; F2183-K2191 HydrophobicContact CE2-CG 3.8Å; F2183-K2191 HydrophobicContact CZ-CB 4.08Å; F2183-K2191 HydrophobicContact CZ-CD 4.3Å; F2183-K2191 HydrophobicContact CZ-CG 3.78Å; F2183-K2191 WeakPolarHBondContact O-CE 3.43Å; F2183-K2191 PolarHBondContact O-NZ 2.97Å; H2184-K2191 PolarHBondContact O-NZ 3.16Å; M2186-K2191 HydrophobicContact CB-CG 4.06Å; M2186-K2191 HydrophobicContact CE-CB 4.39Å; M2186-K2191 HydrophobicContact CE-CG 4.12Å; M2186-K2191 VanDerWaalsContact O-CE 3.27Å; M2186-K2191 WeakPolarHBondContact O-CE 3.36Å; M2186-K2191 PolarHBondContact O-NZ 2.95Å; S2187-K2191 WeakPolarHBondContact O-CB 3.23Å; S2187-K2191 WeakPolarHBondContact O-CD 3.23Å; S2187-K2191 VanDerWaalsContact O-CG 3.25Å; S2187-K2191 WeakPolarHBondContact O-CG 3.41Å; S2187-K2191 PolarHBondContact O-N 3.13Å; I2188-K2191 HydrophobicContact CD1-CD 4.37Å; I2188-K2191 PolarHBondContact O-N 3.18Å; K2191-T2193 VanDerWaalsContact C-N 3.29Å; K2191-T2193 PolarHBondContact O-N 3.43Å; K2191-L2194 PolarHBondContact O-N 3.23Å; K2191-I2195 WeakPolarHBondContact O-CD1 3.42Å; K2191-I2195 VanDerWaalsContact O-CG1 3.26Å; K2191-I2195 WeakPolarHBondContact O-CG1 3.41Å; K2191-I2195 PolarHBondContact O-N 2.98Å; K2191-I2195 VanDerWaalsContact O-N 3.12Å |
| 2192 | D | 83.4 | Confident | 80.6 | Confident | 7.8 Ų | 7.8 | 36.1 Ų | 36.1 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 177 | -89.5 | 29.4 | 0 | 0 | 0 | 111.9 | R2132 I2188 E2189 D2190 L2194 I2195 C2196 S2359 L2362 | R2132-D2192 IonicContact CZ-OD1 3.11Å; R2132-D2192 VanDerWaalsContact CZ-OD1 3.24Å; R2132-D2192 IonicContact NE-OD1 2.96Å; R2132-D2192 PolarHBondContact NE-OD1 2.91Å; R2132-D2192 IonicContact NH1-OD1 3.49Å; R2132-D2192 PolarHBondContact NH1-OD1 3.31Å; R2132-D2192 IonicContact NH2-OD1 3.49Å; R2132-D2192 PolarHBondContact NH2-OD1 3.05Å; R2132-D2192 IonicContact NH2-OD2 3.66Å; R2132-D2192 PolarHBondContact NH2-OD2 3.34Å; I2188-D2192 WeakPolarHBondContact O-CB 3.38Å; I2188-D2192 PolarHBondContact O-N 3.31Å; E2189-D2192 PolarHBondContact O-N 3.1Å; D2190-D2192 VanDerWaalsContact C-N 3.33Å; D2190-D2192 PolarHBondContact O-N 3.06Å; D2192-L2194 VanDerWaalsContact C-N 3.34Å; D2192-I2195 PolarHBondContact O-N 3.06Å; D2192-C2196 WeakPolarHBondContact O-CB 3.18Å; D2192-C2196 PolarHBondContact O-N 3.06Å; D2192-C2196 PolarHBondContact O-SG 3.05Å; D2192-S2359 VanDerWaalsContact OD2-CB 3.24Å; D2192-S2359 WeakPolarHBondContact OD2-CB 3.41Å; D2192-S2359 PolarHBondContact OD2-N 3.22Å; D2192-S2359 PolarHBondContact OD2-OG 2.87Å; D2192-L2362 HydrophobicContact CB-CB 4.38Å; D2192-L2362 HydrophobicContact CB-CD2 4.14Å; D2192-L2362 VanDerWaalsContact CG-CD2 3.43Å; D2192-L2362 WeakPolarHBondContact OD1-CD2 3.4Å; D2192-L2362 WeakPolarHBondContact OD2-CD2 3.32Å |
| 2193 | T | 83.4 | Confident | 82.1 | Confident | 45 Ų | 45 | 34.9 Ų | 34.9 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 179.1 | -45.6 | 0 | 0 | 0 | 0 | 111.9 | I2087 E2189 D2190 K2191 C2196 G2197 | I2087-T2193 HydrophobicContact CG1-CG2 4.4Å; I2087-T2193 HydrophobicContact CG2-CG2 4.09Å; E2189-T2193 WeakPolarHBondContact O-CB 3.41Å; E2189-T2193 WeakPolarHBondContact O-CG2 3.32Å; E2189-T2193 PolarHBondContact O-N 3.12Å; E2189-T2193 PolarHBondContact O-OG1 3Å; D2190-T2193 WeakPolarHBondContact CA-OG1 3.25Å; D2190-T2193 WeakPolarHBondContact O-CB 3.49Å; D2190-T2193 PolarHBondContact O-N 3.23Å; D2190-T2193 VanDerWaalsContact O-N 3.14Å; D2190-T2193 PolarHBondContact O-OG1 3.3Å; K2191-T2193 VanDerWaalsContact C-N 3.29Å; K2191-T2193 PolarHBondContact O-N 3.43Å; T2193-C2196 WeakPolarHBondContact O-CB 3.41Å; T2193-C2196 PolarHBondContact O-N 3.02Å; T2193-G2197 PolarHBondContact O-N 3.11Å; T2193-G2197 VanDerWaalsContact O-N 3.13Å |
| 2194 | L | 86.6 | Confident | 83.1 | Confident | 2.6 Ų | 2.6 | 35.2 Ų | 35.2 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.3 | -52 | 174.4 | -128.6 | 103.5 | 0 | 0 | 0 | 111.2 | V2083 L2084 I2087 F2094 W2124 M2128 F2183 M2186 D2190 K2191 D2192 C2196 G2197 H2198 | V2083-L2194 HydrophobicContact CG1-CD1 3.92Å; V2083-L2194 HydrophobicContact CG1-CD2 3.81Å; L2084-L2194 HydrophobicContact CD1-CD1 3.94Å; L2084-L2194 HydrophobicContact CD1-CD2 3.63Å; I2087-L2194 HydrophobicContact CB-CD2 4.47Å; I2087-L2194 HydrophobicContact CD1-CB 3.62Å; I2087-L2194 HydrophobicContact CD1-CD1 4.02Å; I2087-L2194 HydrophobicContact CD1-CD2 4.39Å; I2087-L2194 HydrophobicContact CD1-CG 4.28Å; I2087-L2194 HydrophobicContact CG1-CD1 4.4Å; I2087-L2194 HydrophobicContact CG1-CD2 4.2Å; I2087-L2194 HydrophobicContact CG1-CG 4.35Å; I2087-L2194 HydrophobicContact CG2-CB 4.31Å; I2087-L2194 HydrophobicContact CG2-CD2 3.94Å; I2087-L2194 HydrophobicContact CG2-CG 3.95Å; F2094-L2194 HydrophobicContact CE2-CD1 4.3Å; F2094-L2194 HydrophobicContact CE2-CD2 4.25Å; F2094-L2194 HydrophobicContact CZ-CD1 4.17Å; F2094-L2194 HydrophobicContact CZ-CD2 4.25Å; W2124-L2194 HydrophobicContact CH2-CB 3.86Å; W2124-L2194 HydrophobicContact CH2-CD1 4.39Å; W2124-L2194 HydrophobicContact CH2-CD2 3.61Å; W2124-L2194 VanDerWaalsContact CH2-CD2 3.47Å; W2124-L2194 HydrophobicContact CH2-CG 3.75Å; W2124-L2194 HydrophobicContact CZ2-CB 4.38Å; W2124-L2194 HydrophobicContact CZ2-CD1 4.28Å; W2124-L2194 HydrophobicContact CZ2-CD2 3.79Å; W2124-L2194 HydrophobicContact CZ2-CG 4.33Å; W2124-L2194 HydrophobicContact CZ3-CG 4.5Å; M2128-L2194 HydrophobicContact CE-CD1 4.32Å; F2183-L2194 HydrophobicContact CD2-CD2 4.18Å; F2183-L2194 HydrophobicContact CE2-CD2 4.27Å; M2186-L2194 HydrophobicContact CE-CB 4.29Å; M2186-L2194 HydrophobicContact CE-CD1 3.75Å; M2186-L2194 HydrophobicContact CE-CD2 4.08Å; M2186-L2194 HydrophobicContact CE-CG 4.45Å; M2186-L2194 HydrophobicContact SD-CD2 4.48Å; D2190-L2194 VanDerWaalsContact O-CB 3.26Å; D2190-L2194 WeakPolarHBondContact O-CB 3.44Å; D2190-L2194 PolarHBondContact O-N 3.06Å; K2191-L2194 PolarHBondContact O-N 3.23Å; D2192-L2194 VanDerWaalsContact C-N 3.34Å; L2194-C2196 VanDerWaalsContact C-N 3.26Å; L2194-C2196 PolarHBondContact O-N 3.12Å; L2194-G2197 CarbonylContact O-C 3.57Å; L2194-G2197 VanDerWaalsContact O-CA 3.3Å; L2194-G2197 WeakPolarHBondContact O-CA 3.34Å; L2194-G2197 PolarHBondContact O-N 2.91Å; L2194-H2198 PolarHBondContact O-CD2 3.2Å; L2194-H2198 VanDerWaalsContact O-CD2 3.28Å; L2194-H2198 PolarHBondContact O-N 3Å; L2194-H2198 VanDerWaalsContact O-N 3.13Å |
| 2195 | I | 86.8 | Confident | 84.2 | Confident | 0.4 Ų | 0.4 | 31.7 Ų | 31.7 | 0% | 0.002 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.9 | -38 | -179.9 | -61.6 | 163.9 | 0 | 0 | 0 | 110.5 | W2124 L2125 M2128 F2183 K2191 D2192 G2197 H2198 L2199 L2298 L2362 | W2124-I2195 HydrophobicContact CZ3-CG1 4.38Å; L2125-I2195 HydrophobicContact CD2-CG2 3.95Å; M2128-I2195 HydrophobicContact CB-CG1 4.47Å; M2128-I2195 HydrophobicContact CG-CD1 3.93Å; M2128-I2195 HydrophobicContact CG-CG1 3.75Å; F2183-I2195 HydrophobicContact CZ-CD1 4.22Å; K2191-I2195 WeakPolarHBondContact O-CD1 3.42Å; K2191-I2195 VanDerWaalsContact O-CG1 3.26Å; K2191-I2195 WeakPolarHBondContact O-CG1 3.41Å; K2191-I2195 PolarHBondContact O-N 2.98Å; K2191-I2195 VanDerWaalsContact O-N 3.12Å; D2192-I2195 PolarHBondContact O-N 3.06Å; I2195-G2197 VanDerWaalsContact C-N 3.31Å; I2195-G2197 PolarHBondContact O-N 3.02Å; I2195-H2198 PolarHBondContact O-N 3.01Å; I2195-L2199 HydrophobicContact CG2-CD1 3.83Å; I2195-L2199 HydrophobicContact CG2-CG 4.17Å; I2195-L2199 VanDerWaalsContact O-CB 3.24Å; I2195-L2199 WeakPolarHBondContact O-CB 3.37Å; I2195-L2199 WeakPolarHBondContact O-CD1 3.33Å; I2195-L2199 VanDerWaalsContact O-CG 3.3Å; I2195-L2199 WeakPolarHBondContact O-CG 3.41Å; I2195-L2199 PolarHBondContact O-N 3.27Å; I2195-L2298 HydrophobicContact CD1-CD1 4.29Å; I2195-L2298 HydrophobicContact CG2-CD1 4.18Å; I2195-L2298 HydrophobicContact CG2-CD2 4.14Å; I2195-L2362 HydrophobicContact CB-CD1 3.94Å; I2195-L2362 HydrophobicContact CB-CD2 4.44Å; I2195-L2362 HydrophobicContact CG2-CD1 3.58Å; I2195-L2362 HydrophobicContact CG2-CD2 4.47Å |
| 2196 | C | 88 | Confident | 85.1 | Confident | 5.4 Ų | 5.4 | 26.2 Ų | 26.2 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.5 | -40.3 | 171.7 | -82.2 | 0 | 0 | 0 | 0 | 113 | D2192 T2193 L2194 L2199 R2200 K2361 L2362 S2365 | D2192-C2196 WeakPolarHBondContact O-CB 3.18Å; D2192-C2196 PolarHBondContact O-N 3.06Å; D2192-C2196 PolarHBondContact O-SG 3.05Å; T2193-C2196 WeakPolarHBondContact O-CB 3.41Å; T2193-C2196 PolarHBondContact O-N 3.02Å; L2194-C2196 VanDerWaalsContact C-N 3.26Å; L2194-C2196 PolarHBondContact O-N 3.12Å; C2196-L2199 PolarHBondContact O-N 2.68Å; C2196-R2200 VanDerWaalsContact O-CG 3.28Å; C2196-R2200 WeakPolarHBondContact O-CG 3.39Å; C2196-R2200 PolarHBondContact O-N 3.1Å; C2196-R2200 PolarHBondContact O-NE 3.01Å; C2196-R2200 VanDerWaalsContact O-NE 3.1Å; C2196-K2361 VanDerWaalsContact SG-C 3.57Å; C2196-L2362 HydrophobicContact CB-CD1 4.23Å; C2196-L2362 WeakPolarHBondContact SG-CA 3.41Å; C2196-L2362 PolarHBondContact SG-N 3.4Å; C2196-L2362 VanDerWaalsContact SG-N 3.37Å; C2196-S2365 PolarHBondContact SG-OG 3.18Å |
| 2197 | G | 87.4 | Confident | 85.7 | Confident | 0.4 Ų | 0.4 | 27.5 Ų | 27.5 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -55.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F2094 T2193 L2194 I2195 L2199 R2200 I2201 | F2094-G2197 VanDerWaalsContact CD1-C 3.47Å; F2094-G2197 VanDerWaalsContact CD1-CA 3.44Å; F2094-G2197 VanDerWaalsContact CE1-C 3.47Å; F2094-G2197 VanDerWaalsContact CE1-CA 3.43Å; F2094-G2197 VanDerWaalsContact CG-CA 3.46Å; T2193-G2197 PolarHBondContact O-N 3.11Å; T2193-G2197 VanDerWaalsContact O-N 3.13Å; L2194-G2197 CarbonylContact O-C 3.57Å; L2194-G2197 VanDerWaalsContact O-CA 3.3Å; L2194-G2197 WeakPolarHBondContact O-CA 3.34Å; L2194-G2197 PolarHBondContact O-N 2.91Å; I2195-G2197 VanDerWaalsContact C-N 3.31Å; I2195-G2197 PolarHBondContact O-N 3.02Å; G2197-L2199 PolarHBondContact O-N 3.13Å; G2197-R2200 WeakPolarHBondContact O-CB 3.31Å; G2197-R2200 PolarHBondContact O-N 3.14Å; G2197-R2200 VanDerWaalsContact O-N 3.11Å; G2197-I2201 PolarHBondContact O-N 3.19Å; G2197-I2201 VanDerWaalsContact O-N 3.08Å |
| 2198 | H | 89.7 | Confident | 86.2 | Confident | 5.2 Ų | 5.2 | 25.1 Ų | 25.1 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.6 | -37.9 | -180 | -72.1 | -96.8 | 0 | 0 | 0 | 112.7 | L2079 F2094 E2121 W2124 L2125 L2194 I2195 R2200 I2201 C2202 | L2079-H2198 WeakPolarHBondContact CD2-CE1 3.38Å; L2079-H2198 WeakPolarHBondContact CD2-NE2 3.12Å; F2094-H2198 AromaticContact CZ-CD2 3.91Å; E2121-H2198 IonicContact OE1-CE1 3.52Å; E2121-H2198 PolarHBondContact OE1-CE1 3.08Å; E2121-H2198 IonicContact OE1-ND1 3.19Å; E2121-H2198 PolarHBondContact OE1-ND1 3.2Å; E2121-H2198 WeakPolarHBondContact OE2-CA 3.49Å; E2121-H2198 WeakPolarHBondContact OE2-CB 3.43Å; E2121-H2198 IonicContact OE2-CE1 3.46Å; E2121-H2198 PolarHBondContact OE2-CE1 3.14Å; E2121-H2198 IonicContact OE2-CG 3.01Å; E2121-H2198 IonicContact OE2-ND1 3.28Å; E2121-H2198 PolarHBondContact OE2-ND1 3.22Å; W2124-H2198 AromaticContact CD2-CE1 3.9Å; W2124-H2198 AromaticContact CE2-NE2 3.86Å; W2124-H2198 HydrophobicContact CE3-CB 4.09Å; W2124-H2198 AromaticContact CE3-CD2 3.83Å; W2124-H2198 AromaticContact CE3-CE1 3.84Å; W2124-H2198 VanDerWaalsContact CE3-CE1 3.44Å; W2124-H2198 AromaticContact CE3-CG 3.7Å; W2124-H2198 AromaticContact CE3-ND1 3.69Å; W2124-H2198 AromaticContact CH2-CD2 3.45Å; W2124-H2198 VanDerWaalsContact CH2-CD2 3.43Å; W2124-H2198 WeakPolarHBondContact CH2-CD2 3.19Å; W2124-H2198 AromaticContact CH2-CE1 3.83Å; W2124-H2198 AromaticContact CH2-CG 3.95Å; W2124-H2198 AromaticContact CH2-NE2 3.64Å; W2124-H2198 WeakPolarHBondContact CH2-NE2 3.46Å; W2124-H2198 AromaticContact CZ2-CD2 3.84Å; W2124-H2198 AromaticContact CZ2-NE2 3.8Å; W2124-H2198 HydrophobicContact CZ3-CB 3.94Å; W2124-H2198 AromaticContact CZ3-CD2 3.44Å; W2124-H2198 VanDerWaalsContact CZ3-CD2 3.42Å; W2124-H2198 WeakPolarHBondContact CZ3-CD2 3.35Å; W2124-H2198 AromaticContact CZ3-CE1 3.61Å; W2124-H2198 WeakPolarHBondContact CZ3-CE1 3.24Å; W2124-H2198 AromaticContact CZ3-CG 3.49Å; W2124-H2198 VanDerWaalsContact CZ3-CG 3.44Å; W2124-H2198 AromaticContact CZ3-ND1 3.72Å; W2124-H2198 WeakPolarHBondContact CZ3-ND1 3.38Å; W2124-H2198 AromaticContact CZ3-NE2 3.79Å; L2125-H2198 HydrophobicContact CD1-CB 4.29Å; L2125-H2198 HydrophobicContact CD2-CB 3.85Å; L2125-H2198 HydrophobicContact CG-CB 4.21Å; L2194-H2198 PolarHBondContact O-CD2 3.2Å; L2194-H2198 VanDerWaalsContact O-CD2 3.28Å; L2194-H2198 PolarHBondContact O-N 3Å; L2194-H2198 VanDerWaalsContact O-N 3.13Å; I2195-H2198 PolarHBondContact O-N 3.01Å; H2198-R2200 VanDerWaalsContact C-N 3.33Å; H2198-R2200 PolarHBondContact O-N 3.18Å; H2198-I2201 PolarHBondContact O-N 3.23Å; H2198-C2202 WeakPolarHBondContact O-CB 3.38Å; H2198-C2202 PolarHBondContact O-N 3.2Å; H2198-C2202 PolarHBondContact O-SG 3.23Å |
| 2199 | L | 88.7 | Confident | 86.6 | Confident | 0.8 Ų | 0.8 | 22.2 Ų | 22.2 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 172.9 | -76 | 170.6 | 0 | 0 | 0 | 112.8 | L2125 I2195 C2196 G2197 C2202 K2203 L2294 L2298 L2362 T2366 F2369 | L2125-L2199 HydrophobicContact CD1-CD2 4.1Å; L2125-L2199 HydrophobicContact CD1-CG 4.48Å; L2125-L2199 HydrophobicContact CD2-CD2 4.36Å; L2125-L2199 HydrophobicContact CD2-CG 4.18Å; I2195-L2199 HydrophobicContact CG2-CD1 3.83Å; I2195-L2199 HydrophobicContact CG2-CG 4.17Å; I2195-L2199 VanDerWaalsContact O-CB 3.24Å; I2195-L2199 WeakPolarHBondContact O-CB 3.37Å; I2195-L2199 WeakPolarHBondContact O-CD1 3.33Å; I2195-L2199 VanDerWaalsContact O-CG 3.3Å; I2195-L2199 WeakPolarHBondContact O-CG 3.41Å; I2195-L2199 PolarHBondContact O-N 3.27Å; C2196-L2199 PolarHBondContact O-N 2.68Å; G2197-L2199 PolarHBondContact O-N 3.13Å; L2199-C2202 PolarHBondContact O-N 2.9Å; L2199-K2203 WeakPolarHBondContact O-CB 3.28Å; L2199-K2203 PolarHBondContact O-N 3.28Å; L2199-L2294 HydrophobicContact CD2-CD1 4.34Å; L2199-L2294 HydrophobicContact CD2-CD2 3.94Å; L2199-L2298 HydrophobicContact CD1-CD2 4.48Å; L2199-L2362 HydrophobicContact CD1-CD1 3.79Å; L2199-T2366 VanDerWaalsContact CD1-OG1 3.32Å; L2199-T2366 WeakPolarHBondContact CD1-OG1 3.28Å; L2199-F2369 HydrophobicContact CD2-CB 4.11Å; L2199-F2369 HydrophobicContact CD2-CD1 3.51Å; L2199-F2369 VanDerWaalsContact CD2-CD1 3.46Å; L2199-F2369 HydrophobicContact CD2-CE1 4.19Å; L2199-F2369 HydrophobicContact CD2-CG 4.01Å |
| 2200 | R | 89.3 | Confident | 86.8 | Confident | 48.2 Ų | 48.2 | 16.8 Ų | 16.8 | 18% | 0.182 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.6 | -39 | 175.3 | -70.4 | 175.5 | -87.8 | 174.8 | -4.7 | 111.7 | D2091 N2095 V2098 C2196 G2197 H2198 K2203 S2204 | D2091-R2200 IonicContact OD1-CZ 3.29Å; D2091-R2200 VanDerWaalsContact OD1-CZ 3.26Å; D2091-R2200 IonicContact OD1-NH1 2.72Å; D2091-R2200 PolarHBondContact OD1-NH1 3.22Å; D2091-R2200 IonicContact OD1-NH2 3.57Å; D2091-R2200 PolarHBondContact OD1-NH2 3.16Å; D2091-R2200 IonicContact OD2-NH1 3.54Å; N2095-R2200 PolarHBondContact OD1-NH1 2.98Å; V2098-R2200 HydrophobicContact CG2-CB 3.63Å; C2196-R2200 VanDerWaalsContact O-CG 3.28Å; C2196-R2200 WeakPolarHBondContact O-CG 3.39Å; C2196-R2200 PolarHBondContact O-N 3.1Å; C2196-R2200 PolarHBondContact O-NE 3.01Å; C2196-R2200 VanDerWaalsContact O-NE 3.1Å; G2197-R2200 WeakPolarHBondContact O-CB 3.31Å; G2197-R2200 PolarHBondContact O-N 3.14Å; G2197-R2200 VanDerWaalsContact O-N 3.11Å; H2198-R2200 VanDerWaalsContact C-N 3.33Å; H2198-R2200 PolarHBondContact O-N 3.18Å; R2200-K2203 WeakPolarHBondContact O-CB 3.31Å; R2200-K2203 PolarHBondContact O-N 3.18Å; R2200-S2204 WeakPolarHBondContact O-CB 3.5Å; R2200-S2204 PolarHBondContact O-N 3.24Å; R2200-S2204 VanDerWaalsContact O-N 3.1Å; R2200-S2204 PolarHBondContact O-OG 3.01Å |
| 2201 | I | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.5 | -52.8 | 171.7 | -68.3 | 174.8 | 0 | 0 | 0 | 109.8 | F2076 L2079 F2094 L2097 E2121 G2197 H2198 K2203 S2204 L2205 | F2076-I2201 HydrophobicContact CE1-CG2 3.81Å; F2076-I2201 HydrophobicContact CZ-CG2 3.95Å; L2079-I2201 HydrophobicContact CD1-CD1 4.19Å; L2079-I2201 HydrophobicContact CD2-CD1 3.98Å; F2094-I2201 HydrophobicContact CD1-CD1 3.68Å; F2094-I2201 HydrophobicContact CD1-CG1 4.11Å; F2094-I2201 HydrophobicContact CE1-CD1 3.68Å; F2094-I2201 HydrophobicContact CE1-CG1 4.44Å; L2097-I2201 HydrophobicContact CD1-CD1 3.65Å; L2097-I2201 HydrophobicContact CD1-CG1 4.18Å; E2121-I2201 HydrophobicContact CG-CG2 4.4Å; G2197-I2201 PolarHBondContact O-N 3.19Å; G2197-I2201 VanDerWaalsContact O-N 3.08Å; H2198-I2201 PolarHBondContact O-N 3.23Å; I2201-K2203 VanDerWaalsContact C-N 3.31Å; I2201-K2203 PolarHBondContact O-N 3.23Å; I2201-S2204 WeakPolarHBondContact O-CA 3.36Å; I2201-S2204 WeakPolarHBondContact O-CB 3.41Å; I2201-S2204 PolarHBondContact O-N 2.85Å; I2201-S2204 VanDerWaalsContact O-N 3.13Å; I2201-L2205 HydrophobicContact CG2-CD1 3.75Å; I2201-L2205 HydrophobicContact CG2-CG 4.14Å; I2201-L2205 WeakPolarHBondContact O-CG 3.42Å; I2201-L2205 PolarHBondContact O-N 2.87Å |
| 2202 | C | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.4 | -44.1 | 179.3 | -69.9 | 0 | 0 | 0 | 0 | 112.5 | L2118 E2121 L2125 H2198 L2199 S2204 Y2206 F2369 | L2118-C2202 HydrophobicContact CD1-CB 4.09Å; E2121-C2202 VanDerWaalsContact CB-SG 3.56Å; L2125-C2202 HydrophobicContact CD1-CB 4.39Å; L2125-C2202 VanDerWaalsContact CD1-SG 3.52Å; L2125-C2202 WeakPolarHBondContact CD1-SG 3.28Å; H2198-C2202 WeakPolarHBondContact O-CB 3.38Å; H2198-C2202 PolarHBondContact O-N 3.2Å; H2198-C2202 PolarHBondContact O-SG 3.23Å; L2199-C2202 PolarHBondContact O-N 2.9Å; C2202-S2204 VanDerWaalsContact C-N 3.3Å; C2202-S2204 PolarHBondContact O-N 2.93Å; C2202-Y2206 VanDerWaalsContact O-CB 3.23Å; C2202-Y2206 WeakPolarHBondContact O-CB 3.38Å; C2202-Y2206 PolarHBondContact O-N 2.95Å; C2202-F2369 HydrophobicContact CB-CD2 3.95Å; C2202-F2369 HydrophobicContact CB-CE1 4.34Å; C2202-F2369 HydrophobicContact CB-CE2 3.42Å; C2202-F2369 VanDerWaalsContact CB-CE2 3.44Å; C2202-F2369 HydrophobicContact CB-CZ 3.71Å; C2202-F2369 VanDerWaalsContact CB-CZ 3.46Å |
| 2203 | K | 91.4 | Very high | 85.1 | Confident | 63.4 Ų | 63.4 | 22.3 Ų | 22.3 | 28% | 0.276 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -56.1 | -48 | 173.9 | -174.1 | -172 | -176.7 | -173.2 | 0 | 111.7 | L2199 R2200 I2201 Q2207 D2368 F2369 S2372 | L2199-K2203 WeakPolarHBondContact O-CB 3.28Å; L2199-K2203 PolarHBondContact O-N 3.28Å; R2200-K2203 WeakPolarHBondContact O-CB 3.31Å; R2200-K2203 PolarHBondContact O-N 3.18Å; I2201-K2203 VanDerWaalsContact C-N 3.31Å; I2201-K2203 PolarHBondContact O-N 3.23Å; K2203-Q2207 VanDerWaalsContact O-CB 3.31Å; K2203-Q2207 WeakPolarHBondContact O-CB 3.36Å; K2203-Q2207 PolarHBondContact O-N 3.05Å; K2203-D2368 HydrophobicContact CD-CB 4.07Å; K2203-D2368 WeakPolarHBondContact CE-O 3.46Å; K2203-D2368 IonicContact NZ-OD1 2.97Å; K2203-D2368 PolarHBondContact NZ-OD1 3.18Å; K2203-D2368 IonicContact NZ-OD2 3.4Å; K2203-D2368 PolarHBondContact NZ-OD2 3.05Å; K2203-F2369 HydrophobicContact CB-CB 4.47Å; K2203-F2369 HydrophobicContact CB-CD2 4.07Å; K2203-S2372 VanDerWaalsContact CE-OG 3.3Å; K2203-S2372 WeakPolarHBondContact CE-OG 3.38Å; K2203-S2372 WeakPolarHBondContact CG-OG 3.43Å |
| 2204 | S | 90.5 | Very high | 83.6 | Confident | 10.6 Ų | 10.6 | 27.7 Ų | 27.7 | 7% | 0.074 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.8 | -43.4 | -176.8 | -94.7 | 0 | 0 | 0 | 0 | 112.2 | V2098 I2101 P2102 R2200 I2201 C2202 C2208 | V2098-S2204 PolarHBondContact O-OG 3.14Å; I2101-S2204 WeakPolarHBondContact CB-OG 3.12Å; I2101-S2204 VanDerWaalsContact CG2-C 3.48Å; I2101-S2204 WeakPolarHBondContact CG2-O 3.29Å; I2101-S2204 WeakPolarHBondContact CG2-OG 3.48Å; P2102-S2204 WeakPolarHBondContact CD-OG 3.11Å; R2200-S2204 WeakPolarHBondContact O-CB 3.5Å; R2200-S2204 PolarHBondContact O-N 3.24Å; R2200-S2204 VanDerWaalsContact O-N 3.1Å; R2200-S2204 PolarHBondContact O-OG 3.01Å; I2201-S2204 WeakPolarHBondContact O-CA 3.36Å; I2201-S2204 WeakPolarHBondContact O-CB 3.41Å; I2201-S2204 PolarHBondContact O-N 2.85Å; I2201-S2204 VanDerWaalsContact O-N 3.13Å; C2202-S2204 VanDerWaalsContact C-N 3.3Å; C2202-S2204 PolarHBondContact O-N 2.93Å; S2204-C2208 VanDerWaalsContact O-CB 3.22Å; S2204-C2208 WeakPolarHBondContact O-CB 3.35Å; S2204-C2208 PolarHBondContact O-N 3.11Å |
| 2205 | L | 89.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 175.2 | -69.6 | 176.7 | 0 | 0 | 0 | 111.2 | F2076 I2101 F2110 A2114 W2117 L2118 I2201 Q2207 C2208 I2209 | F2076-L2205 HydrophobicContact CE1-CD1 4.4Å; F2076-L2205 HydrophobicContact CZ-CD1 4.19Å; F2076-L2205 HydrophobicContact CZ-CD2 4.16Å; F2076-L2205 HydrophobicContact CZ-CG 4.48Å; I2101-L2205 HydrophobicContact CD1-CD2 3.96Å; I2101-L2205 HydrophobicContact CD1-CG 4.24Å; I2101-L2205 HydrophobicContact CG1-CD2 4.3Å; I2101-L2205 HydrophobicContact CG2-CD2 4.11Å; F2110-L2205 HydrophobicContact CZ-CD2 4.04Å; A2114-L2205 HydrophobicContact CB-CD2 3.98Å; W2117-L2205 HydrophobicContact CB-CD1 4.11Å; W2117-L2205 HydrophobicContact CE3-CD2 4.45Å; L2118-L2205 HydrophobicContact CB-CB 4.36Å; L2118-L2205 HydrophobicContact CB-CD1 4.17Å; L2118-L2205 HydrophobicContact CD1-CB 4.29Å; L2118-L2205 HydrophobicContact CD2-CB 4.29Å; I2201-L2205 HydrophobicContact CG2-CD1 3.75Å; I2201-L2205 HydrophobicContact CG2-CG 4.14Å; I2201-L2205 WeakPolarHBondContact O-CG 3.42Å; I2201-L2205 PolarHBondContact O-N 2.87Å; L2205-Q2207 PolarHBondContact O-N 3.14Å; L2205-C2208 PolarHBondContact O-N 3.14Å; L2205-I2209 WeakPolarHBondContact O-CB 3.34Å; L2205-I2209 WeakPolarHBondContact O-CD1 3.28Å; L2205-I2209 VanDerWaalsContact O-CG1 3.3Å; L2205-I2209 WeakPolarHBondContact O-CG1 3.33Å; L2205-I2209 PolarHBondContact O-N 3.17Å |
| 2206 | Y | 86.8 | Confident | 79.4 | Confident | 9.2 Ų | 9.2 | 34.9 Ų | 34.9 | 4% | 0.036 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 179.8 | -174.6 | -94.1 | 0 | 0 | 0 | 112.1 | L2118 C2202 I2209 L2210 L2220 S2372 I2373 | L2118-Y2206 HydrophobicContact CD2-CD2 4.2Å; C2202-Y2206 VanDerWaalsContact O-CB 3.23Å; C2202-Y2206 WeakPolarHBondContact O-CB 3.38Å; C2202-Y2206 PolarHBondContact O-N 2.95Å; Y2206-I2209 PolarHBondContact O-N 3.01Å; Y2206-L2210 HydrophobicContact CD1-CD1 3.8Å; Y2206-L2210 HydrophobicContact CD1-CG 4.22Å; Y2206-L2210 HydrophobicContact CE1-CD1 3.34Å; Y2206-L2210 HydrophobicContact CE1-CD2 4.47Å; Y2206-L2210 HydrophobicContact CE1-CG 3.91Å; Y2206-L2210 HydrophobicContact CG-CD1 4.5Å; Y2206-L2210 WeakPolarHBondContact O-CB 3.27Å; Y2206-L2210 VanDerWaalsContact O-CG 3.3Å; Y2206-L2210 WeakPolarHBondContact O-CG 3.32Å; Y2206-L2210 PolarHBondContact O-N 3Å; Y2206-L2220 HydrophobicContact CE2-CD1 4.43Å; Y2206-L2220 WeakPolarHBondContact OH-CD1 3.43Å; Y2206-S2372 VanDerWaalsContact CE1-O 3.26Å; Y2206-S2372 WeakPolarHBondContact CE1-O 3.45Å; Y2206-I2373 HydrophobicContact CD1-CG1 4.37Å; Y2206-I2373 HydrophobicContact CD1-CG2 4.2Å; Y2206-I2373 HydrophobicContact CD2-CG2 4.23Å; Y2206-I2373 VanDerWaalsContact CE1-CA 3.48Å; Y2206-I2373 HydrophobicContact CE1-CB 4.4Å; Y2206-I2373 HydrophobicContact CE1-CG1 4.26Å; Y2206-I2373 HydrophobicContact CE1-CG2 4.22Å; Y2206-I2373 HydrophobicContact CE2-CG2 4.25Å; Y2206-I2373 HydrophobicContact CG-CG2 4.22Å; Y2206-I2373 PolarHBondContact OH-O 3.39Å; Y2206-I2373 VanDerWaalsContact OH-O 3.14Å |
| 2207 | Q | 85.9 | Confident | 77.1 | Confident | 56.8 Ų | 56.8 | 38.3 Ų | 38.3 | 27% | 0.265 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 176.2 | -173.7 | 61.4 | 45 | 0 | 0 | 111.9 | K2203 L2205 I2209 L2210 D2211 | K2203-Q2207 VanDerWaalsContact O-CB 3.31Å; K2203-Q2207 WeakPolarHBondContact O-CB 3.36Å; K2203-Q2207 PolarHBondContact O-N 3.05Å; L2205-Q2207 PolarHBondContact O-N 3.14Å; Q2207-I2209 VanDerWaalsContact C-N 3.31Å; Q2207-I2209 PolarHBondContact O-N 3.11Å; Q2207-L2210 WeakPolarHBondContact O-CB 3.32Å; Q2207-L2210 PolarHBondContact O-N 2.94Å; Q2207-L2210 VanDerWaalsContact O-N 3.12Å; Q2207-D2211 VanDerWaalsContact NE2-CG 3.29Å; Q2207-D2211 PolarHBondContact NE2-OD1 3.1Å; Q2207-D2211 VanDerWaalsContact NE2-OD1 3.12Å; Q2207-D2211 PolarHBondContact NE2-OD2 3.41Å; Q2207-D2211 PolarHBondContact O-N 2.97Å |
| 2208 | C | 86.2 | Confident | 75 | Confident | 3.2 Ų | 3.2 | 45.4 Ų | 45.4 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | 178.7 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | I2101 H2105 S2204 L2205 D2211 S2212 | I2101-C2208 HydrophobicContact CG2-CB 3.85Å; I2101-C2208 PolarHBondContact O-SG 3.28Å; H2105-C2208 WeakPolarHBondContact CA-SG 3.44Å; H2105-C2208 PolarHBondContact N-SG 3.21Å; H2105-C2208 VanDerWaalsContact N-SG 3.39Å; S2204-C2208 VanDerWaalsContact O-CB 3.22Å; S2204-C2208 WeakPolarHBondContact O-CB 3.35Å; S2204-C2208 PolarHBondContact O-N 3.11Å; L2205-C2208 PolarHBondContact O-N 3.14Å; C2208-D2211 PolarHBondContact O-N 3.26Å; C2208-S2212 PolarHBondContact O-N 3.19Å |
| 2209 | I | 83.2 | Confident | 72.9 | Confident | 10.2 Ų | 10.2 | 48 Ų | 48 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 172.6 | -69.4 | 162.6 | 0 | 0 | 0 | 111 | L2111 A2114 H2115 L2118 L2205 Y2206 Q2207 D2211 S2212 T2213 L2219 | L2111-I2209 HydrophobicContact CD2-CG1 4.39Å; A2114-I2209 HydrophobicContact CB-CD1 4.25Å; A2114-I2209 HydrophobicContact CB-CG1 4.42Å; H2115-I2209 VanDerWaalsContact CE1-CG2 3.45Å; H2115-I2209 WeakPolarHBondContact CE1-CG2 3.39Å; L2118-I2209 HydrophobicContact CD2-CD1 3.87Å; L2205-I2209 WeakPolarHBondContact O-CB 3.34Å; L2205-I2209 WeakPolarHBondContact O-CD1 3.28Å; L2205-I2209 VanDerWaalsContact O-CG1 3.3Å; L2205-I2209 WeakPolarHBondContact O-CG1 3.33Å; L2205-I2209 PolarHBondContact O-N 3.17Å; Y2206-I2209 PolarHBondContact O-N 3.01Å; Q2207-I2209 VanDerWaalsContact C-N 3.31Å; Q2207-I2209 PolarHBondContact O-N 3.11Å; I2209-D2211 VanDerWaalsContact C-N 3.31Å; I2209-D2211 PolarHBondContact O-N 2.99Å; I2209-S2212 WeakPolarHBondContact O-CB 3.35Å; I2209-S2212 PolarHBondContact O-N 3.24Å; I2209-S2212 PolarHBondContact O-OG 3.08Å; I2209-T2213 PolarHBondContact O-N 3.49Å; I2209-T2213 PolarHBondContact O-OG1 2.84Å; I2209-L2219 HydrophobicContact CG2-CD1 3.71Å; I2209-L2219 HydrophobicContact CG2-CG 4.48Å |
| 2210 | L | 79.9 | Confident | 70.7 | Confident | 24.8 Ų | 24.8 | 50.2 Ų | 50.2 | 13% | 0.13 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.8 | -30.2 | 178 | -80.4 | -175.4 | 0 | 0 | 0 | 114.3 | Y2206 Q2207 L2219 I2375 R2376 | Y2206-L2210 HydrophobicContact CD1-CD1 3.8Å; Y2206-L2210 HydrophobicContact CD1-CG 4.22Å; Y2206-L2210 HydrophobicContact CE1-CD1 3.34Å; Y2206-L2210 HydrophobicContact CE1-CD2 4.47Å; Y2206-L2210 HydrophobicContact CE1-CG 3.91Å; Y2206-L2210 HydrophobicContact CG-CD1 4.5Å; Y2206-L2210 WeakPolarHBondContact O-CB 3.27Å; Y2206-L2210 VanDerWaalsContact O-CG 3.3Å; Y2206-L2210 WeakPolarHBondContact O-CG 3.32Å; Y2206-L2210 PolarHBondContact O-N 3Å; Q2207-L2210 WeakPolarHBondContact O-CB 3.32Å; Q2207-L2210 PolarHBondContact O-N 2.94Å; Q2207-L2210 VanDerWaalsContact O-N 3.12Å; L2210-L2219 HydrophobicContact CD2-CD1 4.49Å; L2210-I2375 HydrophobicContact CD1-CB 4.31Å; L2210-I2375 HydrophobicContact CD1-CG2 4.19Å; L2210-R2376 HydrophobicContact CD1-CB 4.06Å; L2210-R2376 HydrophobicContact CD1-CG 4.08Å; L2210-R2376 HydrophobicContact CD2-CB 4.22Å; L2210-R2376 PolarHBondContact O-NH1 3.07Å |
| 2211 | D | 80 | Confident | 68.3 | Low | 72.4 Ų | 72.4 | 51.8 Ų | 51.8 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -9.4 | -179.1 | -68.8 | -29.3 | 0 | 0 | 0 | 113.3 | H2105 Q2207 C2208 I2209 T2213 R2376 | H2105-D2211 HydrophobicContact CB-CB 4.4Å; Q2207-D2211 VanDerWaalsContact NE2-CG 3.29Å; Q2207-D2211 PolarHBondContact NE2-OD1 3.1Å; Q2207-D2211 VanDerWaalsContact NE2-OD1 3.12Å; Q2207-D2211 PolarHBondContact NE2-OD2 3.41Å; Q2207-D2211 PolarHBondContact O-N 2.97Å; C2208-D2211 PolarHBondContact O-N 3.26Å; I2209-D2211 VanDerWaalsContact C-N 3.31Å; I2209-D2211 PolarHBondContact O-N 2.99Å; D2211-T2213 PolarHBondContact O-N 3.24Å; D2211-T2213 PolarHBondContact O-OG1 2.74Å; D2211-T2213 VanDerWaalsContact O-OG1 3.09Å; D2211-R2376 IonicContact OD1-CZ 2.82Å; D2211-R2376 VanDerWaalsContact OD1-CZ 3.24Å; D2211-R2376 IonicContact OD1-NH1 3.28Å; D2211-R2376 PolarHBondContact OD1-NH1 3.18Å; D2211-R2376 IonicContact OD1-NH2 2.99Å; D2211-R2376 PolarHBondContact OD1-NH2 3.11Å |
| 2212 | S | 74.7 | Confident | 65.7 | Low | 17.2 Ų | 17.2 | 55.3 Ų | 55.3 | 12% | 0.12 | 31% | 0.308 | C | S | . | . | trans | -67.3 | 96.7 | 176.2 | 71.6 | 0 | 0 | 0 | 0 | 113.3 | H2105 C2208 I2209 H2214 S2215 | H2105-S2212 VanDerWaalsContact O-CA 3.28Å; H2105-S2212 WeakPolarHBondContact O-CA 3.31Å; H2105-S2212 VanDerWaalsContact O-CB 3.25Å; H2105-S2212 WeakPolarHBondContact O-CB 3.38Å; C2208-S2212 PolarHBondContact O-N 3.19Å; I2209-S2212 WeakPolarHBondContact O-CB 3.35Å; I2209-S2212 PolarHBondContact O-N 3.24Å; I2209-S2212 PolarHBondContact O-OG 3.08Å; S2212-H2214 VanDerWaalsContact C-N 3.28Å; S2212-H2214 PolarHBondContact O-N 2.92Å; S2212-H2214 VanDerWaalsContact O-N 3.13Å; S2212-S2215 WeakPolarHBondContact O-CB 3.42Å; S2212-S2215 PolarHBondContact O-N 2.9Å | ||
| 2213 | T | 56.5 | Low | 63.1 | Low | 92.2 Ų | 92.2 | 57.8 Ų | 57.8 | 57% | 0.566 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -60.7 | -2.2 | -178.4 | 45.5 | 0 | 0 | 0 | 0 | 114.7 | N2106 I2209 D2211 S2215 S2216 | N2106-T2213 PolarHBondContact OD1-OG1 3.29Å; I2209-T2213 PolarHBondContact O-N 3.49Å; I2209-T2213 PolarHBondContact O-OG1 2.84Å; D2211-T2213 PolarHBondContact O-N 3.24Å; D2211-T2213 PolarHBondContact O-OG1 2.74Å; D2211-T2213 VanDerWaalsContact O-OG1 3.09Å; T2213-S2215 VanDerWaalsContact C-N 3.32Å; T2213-S2215 CarbonylContact O-C 3.58Å; T2213-S2215 PolarHBondContact O-N 3.21Å; T2213-S2216 PolarHBondContact O-OG 3.36Å |
| 2214 | H | 50.8 | Low | 60.7 | Low | 157.8 Ų | 157.8 | 62.5 Ų | 62.5 | 73% | 0.731 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -81.2 | 5.2 | 174.9 | -93.5 | -83.4 | 0 | 0 | 0 | 113.8 | S2212 S2216 V2217 | S2212-H2214 VanDerWaalsContact C-N 3.28Å; S2212-H2214 PolarHBondContact O-N 2.92Å; S2212-H2214 VanDerWaalsContact O-N 3.13Å; H2214-S2216 VanDerWaalsContact C-N 3.31Å; H2214-S2216 PolarHBondContact O-N 2.99Å; H2214-V2217 WeakPolarHBondContact O-CG2 3.31Å; H2214-V2217 PolarHBondContact O-N 3.28Å; H2214-V2217 VanDerWaalsContact O-N 3.08Å |
| 2215 | S | 45.9 | Very low | 58.4 | Low | 57.8 Ų | 57.8 | 66.5 Ų | 66.5 | 40% | 0.404 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 48.4 | 174.1 | 175.6 | 0 | 0 | 0 | 0 | 113 | S2212 T2213 V2217 Q2218 | S2212-S2215 WeakPolarHBondContact O-CB 3.42Å; S2212-S2215 PolarHBondContact O-N 2.9Å; T2213-S2215 VanDerWaalsContact C-N 3.32Å; T2213-S2215 CarbonylContact O-C 3.58Å; T2213-S2215 PolarHBondContact O-N 3.21Å; S2215-V2217 PolarHBondContact O-N 3.09Å; S2215-Q2218 PolarHBondContact O-N 3Å |
| 2216 | S | 38.8 | Very low | 56.2 | Low | 97.4 Ų | 97.4 | 69.2 Ų | 69.2 | 68% | 0.681 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 6.6 | 164.1 | 52.2 | 0 | 0 | 0 | 0 | 113 | T2213 H2214 Q2218 | T2213-S2216 PolarHBondContact O-OG 3.36Å; H2214-S2216 VanDerWaalsContact C-N 3.31Å; H2214-S2216 PolarHBondContact O-N 2.99Å; S2216-Q2218 PolarHBondContact O-N 3.11Å; S2216-Q2218 VanDerWaalsContact O-N 3.13Å |
| 2217 | V | 40.5 | Very low | 54.2 | Low | 76.2 Ų | 76.2 | 75.1 Ų | 75.1 | 46% | 0.462 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -86.5 | 54.8 | 175.4 | -180 | 0 | 0 | 0 | 0 | 110.6 | H2214 S2215 L2219 L2220 T2221 | H2214-V2217 WeakPolarHBondContact O-CG2 3.31Å; H2214-V2217 PolarHBondContact O-N 3.28Å; H2214-V2217 VanDerWaalsContact O-N 3.08Å; S2215-V2217 PolarHBondContact O-N 3.09Å; V2217-L2219 HydrophobicContact CG1-CB 4.2Å; V2217-L2219 HydrophobicContact CG1-CD1 4.09Å; V2217-L2219 HydrophobicContact CG1-CG 4.01Å; V2217-L2219 PolarHBondContact O-N 3.24Å; V2217-L2219 VanDerWaalsContact O-N 3.07Å; V2217-L2220 WeakPolarHBondContact O-CA 3.42Å; V2217-L2220 WeakPolarHBondContact O-CB 3.38Å; V2217-L2220 PolarHBondContact O-N 3.2Å; V2217-T2221 HydrophobicContact CG1-CG2 3.56Å; V2217-T2221 WeakPolarHBondContact CG1-OG1 3.32Å; V2217-T2221 PolarHBondContact O-N 3.27Å; V2217-T2221 PolarHBondContact O-OG1 3.23Å |
| 2218 | Q | 43.1 | Very low | 52.3 | Low | 150.6 Ų | 150.6 | 78.4 Ų | 78.4 | 70% | 0.704 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 13.9 | -179.4 | -69.5 | 171.1 | -47.2 | 0 | 0 | 113.7 | S2215 S2216 L2220 T2221 | S2215-Q2218 PolarHBondContact O-N 3Å; S2216-Q2218 PolarHBondContact O-N 3.11Å; S2216-Q2218 VanDerWaalsContact O-N 3.13Å; Q2218-L2220 VanDerWaalsContact C-N 3.28Å; Q2218-L2220 PolarHBondContact O-N 3.35Å; Q2218-T2221 PolarHBondContact O-N 3.26Å |
| 2219 | L | 45.7 | Very low | 50.3 | Low | 59 Ų | 59 | 80.8 Ų | 80.8 | 31% | 0.309 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -11.7 | 176.2 | -95.1 | 170 | 0 | 0 | 0 | 114.1 | I2209 L2210 V2217 S2280 Y2283 | I2209-L2219 HydrophobicContact CG2-CD1 3.71Å; I2209-L2219 HydrophobicContact CG2-CG 4.48Å; L2210-L2219 HydrophobicContact CD2-CD1 4.49Å; V2217-L2219 HydrophobicContact CG1-CB 4.2Å; V2217-L2219 HydrophobicContact CG1-CD1 4.09Å; V2217-L2219 HydrophobicContact CG1-CG 4.01Å; V2217-L2219 PolarHBondContact O-N 3.24Å; V2217-L2219 VanDerWaalsContact O-N 3.07Å; L2219-S2280 WeakPolarHBondContact CD2-OG 3.42Å; L2219-Y2283 HydrophobicContact CD2-CD1 3.78Å; L2219-Y2283 VanDerWaalsContact CD2-CD1 3.48Å; L2219-Y2283 HydrophobicContact CD2-CE1 3.74Å; L2219-Y2283 HydrophobicContact CD2-CG 4.48Å |
| 2220 | L | 42.9 | Very low | 48.5 | Very low | 46.4 Ų | 46.4 | 83.1 Ų | 83.1 | 24% | 0.243 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -134.2 | -3.7 | 179.9 | -76.5 | 166 | 0 | 0 | 0 | 114.8 | Y2206 V2217 Q2218 Y2283 L2284 R2376 N2377 L2379 | Y2206-L2220 HydrophobicContact CE2-CD1 4.43Å; Y2206-L2220 WeakPolarHBondContact OH-CD1 3.43Å; V2217-L2220 WeakPolarHBondContact O-CA 3.42Å; V2217-L2220 WeakPolarHBondContact O-CB 3.38Å; V2217-L2220 PolarHBondContact O-N 3.2Å; Q2218-L2220 VanDerWaalsContact C-N 3.28Å; Q2218-L2220 PolarHBondContact O-N 3.35Å; L2220-Y2283 HydrophobicContact CD2-CE1 4.05Å; L2220-L2284 HydrophobicContact CD2-CD1 3.74Å; L2220-L2284 VanDerWaalsContact CD2-CD1 3.5Å; L2220-L2284 HydrophobicContact CD2-CD2 3.93Å; L2220-L2284 HydrophobicContact CD2-CG 4.22Å; L2220-L2284 HydrophobicContact CG-CD1 3.65Å; L2220-L2284 HydrophobicContact CG-CG 4.44Å; L2220-R2376 VanDerWaalsContact CD1-O 3.3Å; L2220-R2376 WeakPolarHBondContact CD1-O 3.39Å; L2220-N2377 HydrophobicContact CD1-CB 4.26Å; L2220-N2377 VanDerWaalsContact CD1-ND2 3.26Å; L2220-N2377 WeakPolarHBondContact CD1-ND2 3.31Å; L2220-N2377 HydrophobicContact CD2-CB 4.17Å; L2220-N2377 VanDerWaalsContact CD2-ND2 3.26Å; L2220-N2377 WeakPolarHBondContact CD2-ND2 3.33Å; L2220-L2379 HydrophobicContact CD2-CD1 3.98Å |
| 2221 | T | 38.6 | Very low | 46.9 | Very low | 82.4 Ų | 82.4 | 83.5 Ų | 83.5 | 51% | 0.506 | 48% | 0.479 | S | S | . | . | trans | -123.7 | 83.8 | 179.3 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | V2217 Q2218 G2223 T2226 | V2217-T2221 HydrophobicContact CG1-CG2 3.56Å; V2217-T2221 WeakPolarHBondContact CG1-OG1 3.32Å; V2217-T2221 PolarHBondContact O-N 3.27Å; V2217-T2221 PolarHBondContact O-OG1 3.23Å; Q2218-T2221 PolarHBondContact O-N 3.26Å; T2221-G2223 VanDerWaalsContact C-N 3.33Å; T2221-G2223 PolarHBondContact O-N 3.12Å; T2221-T2226 HydrophobicContact CG2-CG2 3.84Å | ||
| 2222 | C | 37.3 | Very low | 45.3 | Very low | 73.6 Ų | 73.6 | 84.3 Ų | 84.3 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | trans | -85.8 | 101.9 | 161.2 | -133.1 | 0 | 0 | 0 | 0 | 108.1 | D2224 D2225 T2226 | C2222-D2224 PolarHBondContact O-N 2.86Å; C2222-D2225 HydrophobicContact CB-CB 4.02Å; C2222-D2225 PolarHBondContact O-N 2.87Å; C2222-D2225 PolarHBondContact SG-OD2 3.37Å; C2222-T2226 WeakPolarHBondContact O-CG2 3.5Å; C2222-T2226 PolarHBondContact O-N 3.04Å | ||
| 2223 | G | 37.2 | Very low | 43.8 | Very low | 53.6 Ų | 53.6 | 85.2 Ų | 85.2 | 55% | 0.553 | 48% | 0.483 | S | S | * | . | trans | -73.6 | 107.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T2221 D2225 | T2221-G2223 VanDerWaalsContact C-N 3.33Å; T2221-G2223 PolarHBondContact O-N 3.12Å; G2223-D2225 PolarHBondContact O-N 2.89Å | ||
| 2224 | D | 40.2 | Very low | 43.4 | Very low | 161.6 Ų | 161.6 | 86 Ų | 86 | 86% | 0.864 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -67 | -22.1 | 174.2 | -60 | -44.1 | 0 | 0 | 0 | 115.8 | C2222 T2226 | C2222-D2224 PolarHBondContact O-N 2.86Å; D2224-T2226 VanDerWaalsContact C-N 3.33Å; D2224-T2226 PolarHBondContact O-N 3.24Å; D2224-T2226 VanDerWaalsContact O-N 3.14Å |
| 2225 | D | 43.2 | Very low | 43.1 | Very low | 93.8 Ų | 93.8 | 84.3 Ų | 84.3 | 50% | 0.502 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 8.7 | -178.7 | -67.1 | -28.8 | 0 | 0 | 0 | 114.1 | C2222 G2223 D2227 Q2228 L2229 | C2222-D2225 HydrophobicContact CB-CB 4.02Å; C2222-D2225 PolarHBondContact O-N 2.87Å; C2222-D2225 PolarHBondContact SG-OD2 3.37Å; G2223-D2225 PolarHBondContact O-N 2.89Å; D2225-D2227 VanDerWaalsContact C-N 3.3Å; D2225-D2227 PolarHBondContact O-N 3.12Å; D2225-D2227 VanDerWaalsContact O-N 3.14Å; D2225-Q2228 PolarHBondContact O-N 3.02Å; D2225-Q2228 VanDerWaalsContact O-N 3.11Å; D2225-L2229 WeakPolarHBondContact O-CB 3.32Å; D2225-L2229 PolarHBondContact O-N 3.31Å; D2225-L2229 VanDerWaalsContact O-N 3.1Å |
| 2226 | T | 41.8 | Very low | 42.8 | Very low | 58 Ų | 58 | 84 Ų | 84 | 36% | 0.356 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59 | -36.4 | -172.8 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | T2221 C2222 D2224 Q2228 L2229 F2230 | T2221-T2226 HydrophobicContact CG2-CG2 3.84Å; C2222-T2226 WeakPolarHBondContact O-CG2 3.5Å; C2222-T2226 PolarHBondContact O-N 3.04Å; D2224-T2226 VanDerWaalsContact C-N 3.33Å; D2224-T2226 PolarHBondContact O-N 3.24Å; D2224-T2226 VanDerWaalsContact O-N 3.14Å; T2226-Q2228 VanDerWaalsContact C-N 3.35Å; T2226-L2229 PolarHBondContact O-N 2.67Å; T2226-F2230 VanDerWaalsContact O-CB 3.25Å; T2226-F2230 WeakPolarHBondContact O-CB 3.39Å; T2226-F2230 WeakPolarHBondContact O-CD2 3.24Å; T2226-F2230 PolarHBondContact O-N 3.29Å |
| 2227 | D | 45.2 | Very low | 42.9 | Very low | 131.4 Ų | 131.4 | 81.3 Ų | 81.3 | 70% | 0.703 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -72.7 | -33.7 | -178.9 | -77.4 | -10.9 | 0 | 0 | 0 | 112.5 | D2225 G2231 | D2225-D2227 VanDerWaalsContact C-N 3.3Å; D2225-D2227 PolarHBondContact O-N 3.12Å; D2225-D2227 VanDerWaalsContact O-N 3.14Å; D2227-G2231 PolarHBondContact O-N 3.29Å |
| 2228 | Q | 46.4 | Very low | 42.8 | Very low | 127 Ų | 127 | 85.5 Ų | 85.5 | 59% | 0.593 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.3 | -45 | 175.3 | -176.3 | 171.1 | -23.2 | 0 | 0 | 110.7 | D2225 T2226 F2230 G2231 E2232 | D2225-Q2228 PolarHBondContact O-N 3.02Å; D2225-Q2228 VanDerWaalsContact O-N 3.11Å; T2226-Q2228 VanDerWaalsContact C-N 3.35Å; Q2228-F2230 VanDerWaalsContact C-N 3.3Å; Q2228-F2230 PolarHBondContact O-N 2.93Å; Q2228-G2231 CarbonylContact O-C 3.5Å; Q2228-G2231 VanDerWaalsContact O-CA 3.24Å; Q2228-G2231 WeakPolarHBondContact O-CA 3.37Å; Q2228-G2231 PolarHBondContact O-N 3.1Å; Q2228-G2231 VanDerWaalsContact O-N 3.1Å; Q2228-E2232 HydrophobicContact CG-CG 4.49Å; Q2228-E2232 WeakPolarHBondContact CG-OE1 3.3Å; Q2228-E2232 PolarHBondContact NE2-OE1 3.01Å; Q2228-E2232 WeakPolarHBondContact O-CB 3.27Å; Q2228-E2232 WeakPolarHBondContact O-CG 3.33Å; Q2228-E2232 PolarHBondContact O-N 3.15Å |
| 2229 | L | 44.4 | Very low | 42.6 | Very low | 52.4 Ų | 52.4 | 84.1 Ų | 84.1 | 27% | 0.274 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 176.6 | -134.2 | 146.7 | 0 | 0 | 0 | 111.4 | D2225 T2226 G2231 E2232 M2233 L2284 I2285 | D2225-L2229 WeakPolarHBondContact O-CB 3.32Å; D2225-L2229 PolarHBondContact O-N 3.31Å; D2225-L2229 VanDerWaalsContact O-N 3.1Å; T2226-L2229 PolarHBondContact O-N 2.67Å; L2229-G2231 VanDerWaalsContact C-N 3.32Å; L2229-G2231 PolarHBondContact O-N 3Å; L2229-E2232 PolarHBondContact O-N 3.14Å; L2229-M2233 HydrophobicContact CD2-CE 3.88Å; L2229-M2233 HydrophobicContact CD2-CG 4.09Å; L2229-M2233 HydrophobicContact CD2-SD 4.05Å; L2229-M2233 HydrophobicContact CG-CE 4.36Å; L2229-M2233 VanDerWaalsContact O-CB 3.3Å; L2229-M2233 WeakPolarHBondContact O-CB 3.39Å; L2229-M2233 VanDerWaalsContact O-CG 3.24Å; L2229-M2233 WeakPolarHBondContact O-CG 3.3Å; L2229-M2233 PolarHBondContact O-N 3.23Å; L2229-L2284 HydrophobicContact CD1-CB 4.42Å; L2229-L2284 HydrophobicContact CD1-CD1 3.62Å; L2229-L2284 HydrophobicContact CD2-CD2 4.23Å; L2229-I2285 HydrophobicContact CD2-CG1 4.4Å |
| 2230 | F | 45.7 | Very low | 42.3 | Very low | 59.8 Ų | 59.8 | 83.8 Ų | 83.8 | 26% | 0.262 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.9 | -33.2 | 171.1 | -136.3 | -92.5 | 0 | 0 | 0 | 112.3 | T2226 Q2228 M2233 K2234 L2379 Q2382 | T2226-F2230 VanDerWaalsContact O-CB 3.25Å; T2226-F2230 WeakPolarHBondContact O-CB 3.39Å; T2226-F2230 WeakPolarHBondContact O-CD2 3.24Å; T2226-F2230 PolarHBondContact O-N 3.29Å; Q2228-F2230 VanDerWaalsContact C-N 3.3Å; Q2228-F2230 PolarHBondContact O-N 2.93Å; F2230-M2233 HydrophobicContact CB-CE 4.42Å; F2230-M2233 HydrophobicContact CD1-CE 3.69Å; F2230-M2233 HydrophobicContact CD2-CE 4.04Å; F2230-M2233 HydrophobicContact CE1-CE 3.88Å; F2230-M2233 HydrophobicContact CE2-CE 4.22Å; F2230-M2233 HydrophobicContact CG-CE 3.78Å; F2230-M2233 HydrophobicContact CZ-CE 4.14Å; F2230-M2233 PolarHBondContact O-N 3.14Å; F2230-K2234 HydrophobicContact CE1-CD 4.33Å; F2230-K2234 WeakPolarHBondContact O-CA 3.49Å; F2230-K2234 VanDerWaalsContact O-CB 3.29Å; F2230-K2234 WeakPolarHBondContact O-CB 3.29Å; F2230-K2234 PolarHBondContact O-N 3.21Å; F2230-K2234 VanDerWaalsContact O-N 3.08Å; F2230-L2379 HydrophobicContact CD2-CD2 4.26Å; F2230-L2379 HydrophobicContact CE1-CD2 4.41Å; F2230-L2379 HydrophobicContact CE2-CD1 4.14Å; F2230-L2379 HydrophobicContact CE2-CD2 4.14Å; F2230-L2379 HydrophobicContact CE2-CG 4.46Å; F2230-L2379 HydrophobicContact CZ-CD1 4.47Å; F2230-L2379 HydrophobicContact CZ-CD2 4.03Å; F2230-L2379 HydrophobicContact CZ-CG 4.41Å; F2230-Q2382 HydrophobicContact CE2-CG 4.15Å; F2230-Q2382 HydrophobicContact CZ-CG 4.1Å |
| 2231 | G | 47 | Very low | 42 | Very low | 33.8 Ų | 33.8 | 86.4 Ų | 86.4 | 35% | 0.348 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.8 | -50.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D2227 Q2228 L2229 M2233 K2234 Q2235 | D2227-G2231 PolarHBondContact O-N 3.29Å; Q2228-G2231 CarbonylContact O-C 3.5Å; Q2228-G2231 VanDerWaalsContact O-CA 3.24Å; Q2228-G2231 WeakPolarHBondContact O-CA 3.37Å; Q2228-G2231 PolarHBondContact O-N 3.1Å; Q2228-G2231 VanDerWaalsContact O-N 3.1Å; L2229-G2231 VanDerWaalsContact C-N 3.32Å; L2229-G2231 PolarHBondContact O-N 3Å; G2231-M2233 PolarHBondContact O-N 3.37Å; G2231-K2234 CarbonylContact O-C 3.46Å; G2231-K2234 WeakPolarHBondContact O-CA 3.13Å; G2231-K2234 PolarHBondContact O-N 3.1Å; G2231-K2234 VanDerWaalsContact O-N 3.12Å; G2231-Q2235 WeakPolarHBondContact O-CB 3.2Å; G2231-Q2235 PolarHBondContact O-N 2.94Å |
| 2232 | E | 46.2 | Very low | 42 | Very low | 88.6 Ų | 88.6 | 87 Ų | 87 | 41% | 0.414 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 175.7 | -72 | 174 | -162.2 | 0 | 0 | 111.6 | Q2228 L2229 K2234 Q2235 T2236 S2281 | Q2228-E2232 HydrophobicContact CG-CG 4.49Å; Q2228-E2232 WeakPolarHBondContact CG-OE1 3.3Å; Q2228-E2232 PolarHBondContact NE2-OE1 3.01Å; Q2228-E2232 WeakPolarHBondContact O-CB 3.27Å; Q2228-E2232 WeakPolarHBondContact O-CG 3.33Å; Q2228-E2232 PolarHBondContact O-N 3.15Å; L2229-E2232 PolarHBondContact O-N 3.14Å; E2232-K2234 VanDerWaalsContact C-N 3.34Å; E2232-K2234 PolarHBondContact O-N 2.98Å; E2232-Q2235 CarbonylContact O-C 3.51Å; E2232-Q2235 WeakPolarHBondContact O-CA 3.38Å; E2232-Q2235 WeakPolarHBondContact O-CB 3.27Å; E2232-Q2235 PolarHBondContact O-N 2.98Å; E2232-T2236 WeakPolarHBondContact O-CB 2.99Å; E2232-T2236 WeakPolarHBondContact O-CG2 3.36Å; E2232-T2236 PolarHBondContact O-N 3.04Å; E2232-T2236 PolarHBondContact O-OG1 3.3Å; E2232-S2281 WeakPolarHBondContact OE2-CB 3.39Å; E2232-S2281 PolarHBondContact OE2-OG 3.09Å |
| 2233 | M | 42.4 | Very low | 41.8 | Very low | 36.8 Ų | 36.8 | 89.8 Ų | 89.8 | 18% | 0.181 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.7 | -33 | 172.3 | -76.8 | -174.1 | 25.8 | 0 | 0 | 113 | L2229 F2230 G2231 Q2235 T2236 S2237 L2284 I2285 L2288 L2379 L2383 | L2229-M2233 HydrophobicContact CD2-CE 3.88Å; L2229-M2233 HydrophobicContact CD2-CG 4.09Å; L2229-M2233 HydrophobicContact CD2-SD 4.05Å; L2229-M2233 HydrophobicContact CG-CE 4.36Å; L2229-M2233 VanDerWaalsContact O-CB 3.3Å; L2229-M2233 WeakPolarHBondContact O-CB 3.39Å; L2229-M2233 VanDerWaalsContact O-CG 3.24Å; L2229-M2233 WeakPolarHBondContact O-CG 3.3Å; L2229-M2233 PolarHBondContact O-N 3.23Å; F2230-M2233 HydrophobicContact CB-CE 4.42Å; F2230-M2233 HydrophobicContact CD1-CE 3.69Å; F2230-M2233 HydrophobicContact CD2-CE 4.04Å; F2230-M2233 HydrophobicContact CE1-CE 3.88Å; F2230-M2233 HydrophobicContact CE2-CE 4.22Å; F2230-M2233 HydrophobicContact CG-CE 3.78Å; F2230-M2233 HydrophobicContact CZ-CE 4.14Å; F2230-M2233 PolarHBondContact O-N 3.14Å; G2231-M2233 PolarHBondContact O-N 3.37Å; M2233-Q2235 VanDerWaalsContact C-N 3.31Å; M2233-T2236 VanDerWaalsContact CA-OG1 3.29Å; M2233-T2236 WeakPolarHBondContact CA-OG1 3.28Å; M2233-T2236 PolarHBondContact O-OG1 3.14Å; M2233-S2237 WeakPolarHBondContact O-CA 3.26Å; M2233-S2237 WeakPolarHBondContact O-CB 3.37Å; M2233-S2237 PolarHBondContact O-N 3.02Å; M2233-L2284 HydrophobicContact CE-CD2 4.29Å; M2233-L2284 HydrophobicContact SD-CB 4.18Å; M2233-L2284 HydrophobicContact SD-CD2 3.35Å; M2233-L2284 WeakPolarHBondContact SD-CD2 3.2Å; M2233-L2284 HydrophobicContact SD-CG 4.37Å; M2233-I2285 HydrophobicContact CG-CG1 4.4Å; M2233-L2288 HydrophobicContact CE-CB 4.31Å; M2233-L2288 HydrophobicContact CE-CD1 3.72Å; M2233-L2288 HydrophobicContact CE-CD2 4.19Å; M2233-L2288 HydrophobicContact CE-CG 4.37Å; M2233-L2288 HydrophobicContact SD-CD1 3.89Å; M2233-L2379 HydrophobicContact CB-CD1 4.46Å; M2233-L2379 HydrophobicContact CE-CB 4.34Å; M2233-L2379 HydrophobicContact CE-CD1 4.25Å; M2233-L2379 HydrophobicContact CE-CD2 3.93Å; M2233-L2379 HydrophobicContact CE-CG 4.41Å; M2233-L2379 HydrophobicContact SD-CD1 4.05Å; M2233-L2379 HydrophobicContact SD-CD2 3.99Å; M2233-L2379 HydrophobicContact SD-CG 4.44Å; M2233-L2383 HydrophobicContact CE-CD2 4.41Å |
| 2234 | K | 47.4 | Very low | 41.6 | Very low | 107.8 Ų | 107.8 | 90 Ų | 90 | 47% | 0.469 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -76.4 | -26.5 | 174.9 | -163.1 | 169.6 | -168.5 | 169 | 0 | 111.5 | F2230 G2231 E2232 R2238 V2248 | F2230-K2234 HydrophobicContact CE1-CD 4.33Å; F2230-K2234 WeakPolarHBondContact O-CA 3.49Å; F2230-K2234 VanDerWaalsContact O-CB 3.29Å; F2230-K2234 WeakPolarHBondContact O-CB 3.29Å; F2230-K2234 PolarHBondContact O-N 3.21Å; F2230-K2234 VanDerWaalsContact O-N 3.08Å; G2231-K2234 CarbonylContact O-C 3.46Å; G2231-K2234 WeakPolarHBondContact O-CA 3.13Å; G2231-K2234 PolarHBondContact O-N 3.1Å; G2231-K2234 VanDerWaalsContact O-N 3.12Å; E2232-K2234 VanDerWaalsContact C-N 3.34Å; E2232-K2234 PolarHBondContact O-N 2.98Å; K2234-R2238 WeakPolarHBondContact O-CB 3.45Å; K2234-R2238 WeakPolarHBondContact O-CD 3.34Å; K2234-R2238 VanDerWaalsContact O-CG 3.28Å; K2234-R2238 WeakPolarHBondContact O-CG 3.3Å; K2234-R2238 PolarHBondContact O-N 3.02Å; K2234-V2248 HydrophobicContact CB-CG1 4.05Å; K2234-V2248 HydrophobicContact CD-CG1 3.73Å; K2234-V2248 HydrophobicContact CG-CG1 3.81Å |
| 2235 | Q | 45.6 | Very low | 41.1 | Very low | 121.6 Ų | 121.6 | 86.6 Ų | 86.6 | 57% | 0.568 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -76.2 | -44.7 | 170.7 | -119.3 | 175.1 | -17.4 | 0 | 0 | 112 | G2231 E2232 M2233 R2238 Q2239 | G2231-Q2235 WeakPolarHBondContact O-CB 3.2Å; G2231-Q2235 PolarHBondContact O-N 2.94Å; E2232-Q2235 CarbonylContact O-C 3.51Å; E2232-Q2235 WeakPolarHBondContact O-CA 3.38Å; E2232-Q2235 WeakPolarHBondContact O-CB 3.27Å; E2232-Q2235 PolarHBondContact O-N 2.98Å; M2233-Q2235 VanDerWaalsContact C-N 3.31Å; Q2235-R2238 CarbonylContact O-C 3.59Å; Q2235-R2238 WeakPolarHBondContact O-CB 3.31Å; Q2235-R2238 PolarHBondContact O-N 2.96Å; Q2235-Q2239 WeakPolarHBondContact O-CB 3.21Å; Q2235-Q2239 VanDerWaalsContact O-CG 3.3Å; Q2235-Q2239 WeakPolarHBondContact O-CG 3.44Å; Q2235-Q2239 PolarHBondContact O-N 3.07Å |
| 2236 | T | 40.3 | Very low | 40.6 | Very low | 51.4 Ų | 51.4 | 85.3 Ų | 85.3 | 32% | 0.315 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69 | -38 | 173.6 | 39.2 | 0 | 0 | 0 | 0 | 111.9 | E2232 M2233 R2238 Q2239 I2240 | E2232-T2236 WeakPolarHBondContact O-CB 2.99Å; E2232-T2236 WeakPolarHBondContact O-CG2 3.36Å; E2232-T2236 PolarHBondContact O-N 3.04Å; E2232-T2236 PolarHBondContact O-OG1 3.3Å; M2233-T2236 VanDerWaalsContact CA-OG1 3.29Å; M2233-T2236 WeakPolarHBondContact CA-OG1 3.28Å; M2233-T2236 PolarHBondContact O-OG1 3.14Å; T2236-R2238 VanDerWaalsContact C-N 3.28Å; T2236-R2238 PolarHBondContact O-N 2.95Å; T2236-Q2239 CarbonylContact O-C 3.51Å; T2236-Q2239 WeakPolarHBondContact O-CA 3.43Å; T2236-Q2239 WeakPolarHBondContact O-CB 3.35Å; T2236-Q2239 PolarHBondContact O-N 2.92Å; T2236-Q2239 VanDerWaalsContact O-N 3.1Å; T2236-I2240 VanDerWaalsContact O-CB 3.24Å; T2236-I2240 WeakPolarHBondContact O-CB 3.38Å; T2236-I2240 VanDerWaalsContact O-CD1 3.32Å; T2236-I2240 WeakPolarHBondContact O-CD1 3.32Å; T2236-I2240 WeakPolarHBondContact O-CG1 3.3Å; T2236-I2240 PolarHBondContact O-N 3.14Å |
| 2237 | S | 40.6 | Very low | 40.1 | Very low | 42.2 Ų | 42.2 | 87.4 Ų | 87.4 | 30% | 0.295 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.5 | -31.7 | 171 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | M2233 I2240 N2241 | M2233-S2237 WeakPolarHBondContact O-CA 3.26Å; M2233-S2237 WeakPolarHBondContact O-CB 3.37Å; M2233-S2237 PolarHBondContact O-N 3.02Å; S2237-I2240 CarbonylContact C-O 3.38Å; S2237-I2240 WeakPolarHBondContact CA-O 3.38Å; S2237-I2240 PolarHBondContact O-N 3.4Å; S2237-I2240 VanDerWaalsContact O-O 3.07Å; S2237-N2241 WeakPolarHBondContact O-CB 3.41Å; S2237-N2241 VanDerWaalsContact O-CG 3.27Å; S2237-N2241 PolarHBondContact O-N 3.23Å; S2237-N2241 VanDerWaalsContact O-N 3.11Å; S2237-N2241 PolarHBondContact O-ND2 3.08Å; S2237-N2241 VanDerWaalsContact O-ND2 3.14Å |
| 2238 | R | 38.7 | Very low | 39.6 | Very low | 163 Ų | 163 | 85 Ų | 85 | 62% | 0.615 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -72 | -40.9 | 169.6 | -77 | 169.6 | 174.3 | 174.7 | -5 | 112 | K2234 Q2235 T2236 I2240 N2241 D2242 | K2234-R2238 WeakPolarHBondContact O-CB 3.45Å; K2234-R2238 WeakPolarHBondContact O-CD 3.34Å; K2234-R2238 VanDerWaalsContact O-CG 3.28Å; K2234-R2238 WeakPolarHBondContact O-CG 3.3Å; K2234-R2238 PolarHBondContact O-N 3.02Å; Q2235-R2238 CarbonylContact O-C 3.59Å; Q2235-R2238 WeakPolarHBondContact O-CB 3.31Å; Q2235-R2238 PolarHBondContact O-N 2.96Å; T2236-R2238 VanDerWaalsContact C-N 3.28Å; T2236-R2238 PolarHBondContact O-N 2.95Å; R2238-I2240 VanDerWaalsContact C-N 3.32Å; R2238-I2240 PolarHBondContact O-N 3.11Å; R2238-I2240 VanDerWaalsContact O-N 3.17Å; R2238-N2241 CarbonylContact O-C 3.51Å; R2238-N2241 WeakPolarHBondContact O-CA 3.42Å; R2238-N2241 WeakPolarHBondContact O-CB 3.41Å; R2238-N2241 PolarHBondContact O-N 3.2Å; R2238-D2242 WeakPolarHBondContact CB-OD2 3.36Å; R2238-D2242 WeakPolarHBondContact CG-OD2 3.28Å; R2238-D2242 VanDerWaalsContact O-CA 3.28Å; R2238-D2242 WeakPolarHBondContact O-CA 3.25Å; R2238-D2242 WeakPolarHBondContact O-CB 3.24Å; R2238-D2242 PolarHBondContact O-N 3.1Å |
| 2239 | Q | 38.2 | Very low | 38.9 | Very low | 122.4 Ų | 122.4 | 84.2 Ų | 84.2 | 57% | 0.572 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.3 | -28.5 | 176.3 | -69.4 | 167.5 | -13.9 | 0 | 0 | 113.1 | Q2235 T2236 N2241 D2242 F2243 | Q2235-Q2239 WeakPolarHBondContact O-CB 3.21Å; Q2235-Q2239 VanDerWaalsContact O-CG 3.3Å; Q2235-Q2239 WeakPolarHBondContact O-CG 3.44Å; Q2235-Q2239 PolarHBondContact O-N 3.07Å; T2236-Q2239 CarbonylContact O-C 3.51Å; T2236-Q2239 WeakPolarHBondContact O-CA 3.43Å; T2236-Q2239 WeakPolarHBondContact O-CB 3.35Å; T2236-Q2239 PolarHBondContact O-N 2.92Å; T2236-Q2239 VanDerWaalsContact O-N 3.1Å; Q2239-N2241 VanDerWaalsContact C-N 3.35Å; Q2239-N2241 PolarHBondContact O-N 2.66Å; Q2239-D2242 CarbonylContact O-C 3.59Å; Q2239-D2242 PolarHBondContact O-N 3.18Å; Q2239-F2243 WeakPolarHBondContact O-CB 3.4Å; Q2239-F2243 PolarHBondContact O-N 3.08Å; Q2239-F2243 VanDerWaalsContact O-N 3.12Å |
| 2240 | I | 39.1 | Very low | 38.1 | Very low | 52.8 Ų | 52.8 | 88.3 Ų | 88.3 | 27% | 0.271 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -85.6 | -13.9 | 177.2 | -68.3 | 165.5 | 0 | 0 | 0 | 110.8 | T2236 S2237 R2238 D2242 Y2289 K2292 L2383 | T2236-I2240 VanDerWaalsContact O-CB 3.24Å; T2236-I2240 WeakPolarHBondContact O-CB 3.38Å; T2236-I2240 VanDerWaalsContact O-CD1 3.32Å; T2236-I2240 WeakPolarHBondContact O-CD1 3.32Å; T2236-I2240 WeakPolarHBondContact O-CG1 3.3Å; T2236-I2240 PolarHBondContact O-N 3.14Å; S2237-I2240 CarbonylContact C-O 3.38Å; S2237-I2240 WeakPolarHBondContact CA-O 3.38Å; S2237-I2240 PolarHBondContact O-N 3.4Å; S2237-I2240 VanDerWaalsContact O-O 3.07Å; R2238-I2240 VanDerWaalsContact C-N 3.32Å; R2238-I2240 PolarHBondContact O-N 3.11Å; R2238-I2240 VanDerWaalsContact O-N 3.17Å; I2240-D2242 VanDerWaalsContact C-N 3.27Å; I2240-D2242 HydrophobicContact CG2-CB 4.2Å; I2240-D2242 PolarHBondContact O-N 2.79Å; I2240-Y2289 HydrophobicContact CD1-CD1 4.45Å; I2240-Y2289 HydrophobicContact CD1-CE1 4.06Å; I2240-Y2289 HydrophobicContact CD1-CE2 4.41Å; I2240-Y2289 WeakPolarHBondContact CD1-OH 3.45Å; I2240-Y2289 HydrophobicContact CG1-CE1 3.95Å; I2240-K2292 HydrophobicContact CG2-CD 3.69Å; I2240-K2292 VanDerWaalsContact CG2-NZ 3.26Å; I2240-K2292 PolarHBondContact O-NZ 3.15Å; I2240-L2383 HydrophobicContact CG2-CD1 4.35Å |
| 2241 | N | 37.7 | Very low | 37.5 | Very low | 99.6 Ų | 99.6 | 91.5 Ų | 91.5 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -86.5 | -18.4 | 176.6 | -67.7 | -23.2 | 0 | 0 | 0 | 113.5 | S2237 R2238 Q2239 F2243 P2244 T2245 | S2237-N2241 WeakPolarHBondContact O-CB 3.41Å; S2237-N2241 VanDerWaalsContact O-CG 3.27Å; S2237-N2241 PolarHBondContact O-N 3.23Å; S2237-N2241 VanDerWaalsContact O-N 3.11Å; S2237-N2241 PolarHBondContact O-ND2 3.08Å; S2237-N2241 VanDerWaalsContact O-ND2 3.14Å; R2238-N2241 CarbonylContact O-C 3.51Å; R2238-N2241 WeakPolarHBondContact O-CA 3.42Å; R2238-N2241 WeakPolarHBondContact O-CB 3.41Å; R2238-N2241 PolarHBondContact O-N 3.2Å; Q2239-N2241 VanDerWaalsContact C-N 3.35Å; Q2239-N2241 PolarHBondContact O-N 2.66Å; N2241-F2243 VanDerWaalsContact C-N 3.31Å; N2241-F2243 PolarHBondContact O-N 2.88Å; N2241-F2243 VanDerWaalsContact O-N 3.15Å; N2241-P2244 WeakPolarHBondContact O-CD 3.44Å; N2241-T2245 PolarHBondContact O-OG1 2.99Å |
| 2242 | D | 37.1 | Very low | 36.7 | Very low | 95.2 Ų | 95.2 | 96.4 Ų | 96.4 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -93.5 | 7 | -178.2 | -64.3 | -41.4 | 0 | 0 | 0 | 113.9 | R2238 Q2239 I2240 P2244 T2245 K2292 | R2238-D2242 WeakPolarHBondContact CB-OD2 3.36Å; R2238-D2242 WeakPolarHBondContact CG-OD2 3.28Å; R2238-D2242 VanDerWaalsContact O-CA 3.28Å; R2238-D2242 WeakPolarHBondContact O-CA 3.25Å; R2238-D2242 WeakPolarHBondContact O-CB 3.24Å; R2238-D2242 PolarHBondContact O-N 3.1Å; Q2239-D2242 CarbonylContact O-C 3.59Å; Q2239-D2242 PolarHBondContact O-N 3.18Å; I2240-D2242 VanDerWaalsContact C-N 3.27Å; I2240-D2242 HydrophobicContact CG2-CB 4.2Å; I2240-D2242 PolarHBondContact O-N 2.79Å; D2242-P2244 VanDerWaalsContact C-N 3.31Å; D2242-P2244 WeakPolarHBondContact O-CA 3.4Å; D2242-P2244 WeakPolarHBondContact O-CD 3.41Å; D2242-P2244 VanDerWaalsContact O-N 3.16Å; D2242-T2245 WeakPolarHBondContact CA-OG1 3.36Å; D2242-T2245 PolarHBondContact O-N 2.87Å; D2242-T2245 VanDerWaalsContact O-N 3.16Å; D2242-T2245 PolarHBondContact O-OG1 2.68Å; D2242-T2245 WeakPolarHBondContact OD1-CB 3.26Å; D2242-T2245 PolarHBondContact OD1-OG1 3.15Å; D2242-K2292 PolarHBondContact O-NZ 2.67Å |
| 2243 | F | 32.8 | Very low | 35.9 | Very low | 133.2 Ų | 133.2 | 102.2 Ų | 102.2 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -95.9 | 104.3 | 172.9 | -121.3 | -89.4 | 0 | 0 | 0 | 112.2 | Q2239 N2241 T2245 I2262 Y2289 L2383 | Q2239-F2243 WeakPolarHBondContact O-CB 3.4Å; Q2239-F2243 PolarHBondContact O-N 3.08Å; Q2239-F2243 VanDerWaalsContact O-N 3.12Å; N2241-F2243 VanDerWaalsContact C-N 3.31Å; N2241-F2243 PolarHBondContact O-N 2.88Å; N2241-F2243 VanDerWaalsContact O-N 3.15Å; F2243-T2245 PolarHBondContact O-N 3.14Å; F2243-I2262 HydrophobicContact CE1-CD1 3.89Å; F2243-Y2289 HydrophobicContact CD2-CE1 4.35Å; F2243-Y2289 HydrophobicContact CE2-CD1 4.16Å; F2243-Y2289 AromaticContact CE2-CE1 3.69Å; F2243-Y2289 HydrophobicContact CE2-CE1 3.69Å; F2243-Y2289 HydrophobicContact CE2-CE2 4.14Å; F2243-Y2289 AromaticContact CE2-CZ 3.67Å; F2243-L2383 HydrophobicContact CE1-CD1 4.21Å |
| 2244 | P | 33.6 | Very low | 35.3 | Very low | 57.4 Ų | 57.4 | 107.3 Ų | 107.3 | 37% | 0.373 | 55% | 0.549 | S | S | . | . | -105.1 | 104.7 | -123.4 | 17.2 | -1.7 | 0 | 0 | 0 | 113.5 | N2241 D2242 S2246 I2247 Y2315 T2386 | N2241-P2244 WeakPolarHBondContact O-CD 3.44Å; D2242-P2244 VanDerWaalsContact C-N 3.31Å; D2242-P2244 WeakPolarHBondContact O-CA 3.4Å; D2242-P2244 WeakPolarHBondContact O-CD 3.41Å; D2242-P2244 VanDerWaalsContact O-N 3.16Å; P2244-S2246 WeakPolarHBondContact CB-OG 3.43Å; P2244-S2246 PolarHBondContact O-N 3.18Å; P2244-S2246 VanDerWaalsContact O-N 3.15Å; P2244-I2247 HydrophobicContact CB-CB 4.02Å; P2244-I2247 HydrophobicContact CB-CD1 4.04Å; P2244-I2247 HydrophobicContact CB-CG1 4.05Å; P2244-I2247 HydrophobicContact CG-CB 4Å; P2244-I2247 HydrophobicContact CG-CD1 4Å; P2244-I2247 HydrophobicContact CG-CG1 3.92Å; P2244-I2247 PolarHBondContact O-N 3.1Å; P2244-Y2315 PolarHBondContact O-OH 2.91Å; P2244-T2386 HydrophobicContact CB-CG2 4.06Å; P2244-T2386 HydrophobicContact CG-CG2 4.44Å | |||
| 2245 | T | 30.9 | Very low | 34.6 | Very low | 91 Ų | 91 | 109.9 Ų | 109.9 | 56% | 0.558 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -7.4 | 169.8 | 31.2 | 0 | 0 | 0 | 0 | 114 | N2241 D2242 F2243 I2247 V2248 N2249 L2345 | N2241-T2245 PolarHBondContact O-OG1 2.99Å; D2242-T2245 WeakPolarHBondContact CA-OG1 3.36Å; D2242-T2245 PolarHBondContact O-N 2.87Å; D2242-T2245 VanDerWaalsContact O-N 3.16Å; D2242-T2245 PolarHBondContact O-OG1 2.68Å; D2242-T2245 WeakPolarHBondContact OD1-CB 3.26Å; D2242-T2245 PolarHBondContact OD1-OG1 3.15Å; F2243-T2245 PolarHBondContact O-N 3.14Å; T2245-I2247 VanDerWaalsContact C-N 3.32Å; T2245-I2247 PolarHBondContact O-N 2.98Å; T2245-V2248 PolarHBondContact O-N 2.87Å; T2245-N2249 WeakPolarHBondContact O-CB 3.43Å; T2245-N2249 VanDerWaalsContact O-CG 3.25Å; T2245-N2249 PolarHBondContact O-N 3.41Å; T2245-N2249 VanDerWaalsContact O-N 3.15Å; T2245-N2249 PolarHBondContact O-ND2 3.13Å; T2245-L2345 HydrophobicContact CG2-CD1 4.23Å; T2245-L2345 HydrophobicContact CG2-CD2 4.06Å; T2245-L2345 HydrophobicContact CG2-CG 3.89Å |
| 2246 | S | 31 | Very low | 33.9 | Very low | 66.4 Ų | 66.4 | 111.5 Ų | 111.5 | 46% | 0.464 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -18.3 | 178.2 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | P2244 V2248 N2249 N2250 | P2244-S2246 WeakPolarHBondContact CB-OG 3.43Å; P2244-S2246 PolarHBondContact O-N 3.18Å; P2244-S2246 VanDerWaalsContact O-N 3.15Å; S2246-V2248 VanDerWaalsContact C-N 3.35Å; S2246-V2248 PolarHBondContact O-N 3.02Å; S2246-N2249 PolarHBondContact O-N 3.47Å; S2246-N2250 WeakPolarHBondContact O-CB 3.45Å; S2246-N2250 PolarHBondContact O-N 3.45Å; S2246-N2250 PolarHBondContact O-OD1 3.48Å |
| 2247 | I | 32.9 | Very low | 33.5 | Very low | 101.4 Ų | 101.4 | 115.9 Ų | 115.9 | 52% | 0.52 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.8 | -24.3 | -178 | -64.3 | 177.7 | 0 | 0 | 0 | 112 | P2244 T2245 L2383 T2386 | P2244-I2247 HydrophobicContact CB-CB 4.02Å; P2244-I2247 HydrophobicContact CB-CD1 4.04Å; P2244-I2247 HydrophobicContact CB-CG1 4.05Å; P2244-I2247 HydrophobicContact CG-CB 4Å; P2244-I2247 HydrophobicContact CG-CD1 4Å; P2244-I2247 HydrophobicContact CG-CG1 3.92Å; P2244-I2247 PolarHBondContact O-N 3.1Å; T2245-I2247 VanDerWaalsContact C-N 3.32Å; T2245-I2247 PolarHBondContact O-N 2.98Å; I2247-L2383 HydrophobicContact CD1-CB 4.32Å; I2247-L2383 HydrophobicContact CD1-CD1 3.59Å; I2247-T2386 HydrophobicContact CD1-CG2 4.41Å; I2247-T2386 HydrophobicContact CG1-CG2 4.44Å |
| 2248 | V | 34.1 | Very low | 32.9 | Very low | 81.8 Ų | 81.8 | 121 Ų | 121 | 50% | 0.496 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.2 | -20.5 | -176.3 | -178.3 | 0 | 0 | 0 | 0 | 113.3 | K2234 T2245 S2246 Y2315 | K2234-V2248 HydrophobicContact CB-CG1 4.05Å; K2234-V2248 HydrophobicContact CD-CG1 3.73Å; K2234-V2248 HydrophobicContact CG-CG1 3.81Å; T2245-V2248 PolarHBondContact O-N 2.87Å; S2246-V2248 VanDerWaalsContact C-N 3.35Å; S2246-V2248 PolarHBondContact O-N 3.02Å; V2248-Y2315 HydrophobicContact CG2-CE1 4.17Å |
| 2249 | N | 31.1 | Very low | 32.4 | Very low | 109 Ų | 109 | 120 Ų | 120 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -105.9 | -3.9 | -171 | -73.6 | -24.7 | 0 | 0 | 0 | 115.7 | T2245 S2246 V2251 D2252 S2346 | T2245-N2249 WeakPolarHBondContact O-CB 3.43Å; T2245-N2249 VanDerWaalsContact O-CG 3.25Å; T2245-N2249 PolarHBondContact O-N 3.41Å; T2245-N2249 VanDerWaalsContact O-N 3.15Å; T2245-N2249 PolarHBondContact O-ND2 3.13Å; S2246-N2249 PolarHBondContact O-N 3.47Å; N2249-V2251 PolarHBondContact O-N 3.4Å; N2249-V2251 VanDerWaalsContact O-N 3.09Å; N2249-D2252 PolarHBondContact O-N 2.91Å; N2249-S2346 PolarHBondContact OD1-O 3.46Å |
| 2250 | N | 28.6 | Very low | 31.9 | Very low | 138.4 Ų | 138.4 | 121.1 Ų | 121.1 | 74% | 0.74 | 65% | 0.648 | S | S | * | * | trans | -106.4 | 37.9 | 179.9 | -80.4 | -3.8 | 0 | 0 | 0 | 113.3 | S2246 D2252 | S2246-N2250 WeakPolarHBondContact O-CB 3.45Å; S2246-N2250 PolarHBondContact O-N 3.45Å; S2246-N2250 PolarHBondContact O-OD1 3.48Å; N2250-D2252 VanDerWaalsContact C-N 3.28Å; N2250-D2252 PolarHBondContact O-N 3.15Å | ||
| 2251 | V | 31.3 | Very low | 31.3 | Very low | 128.6 Ų | 128.6 | 124.1 Ų | 124.1 | 78% | 0.779 | 67% | 0.672 | S | S | * | * | trans | -99.9 | 52.5 | 166.6 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | N2249 R2253 | N2249-V2251 PolarHBondContact O-N 3.4Å; N2249-V2251 VanDerWaalsContact O-N 3.09Å; V2251-R2253 PolarHBondContact O-N 2.86Å | ||
| 2252 | D | 31 | Very low | 30.8 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -100.6 | 132 | 169.1 | -133.4 | -21.9 | 0 | 0 | 0 | 110.2 | N2249 N2250 | N2249-D2252 PolarHBondContact O-N 2.91Å; N2250-D2252 VanDerWaalsContact C-N 3.28Å; N2250-D2252 PolarHBondContact O-N 3.15Å | ||
| 2253 | R | 29.1 | Very low | 30.2 | Very low | 209.8 Ų | 209.8 | 126.1 Ų | 126.1 | 79% | 0.792 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -48.7 | 137.1 | -177.5 | -59.8 | 166.7 | -172.4 | -177 | -1.6 | 115.5 | V2251 | V2251-R2253 PolarHBondContact O-N 2.86Š|
| 2254 | N | 29.9 | Very low | 29.9 | Very low | 144.6 Ų | 144.6 | 125.2 Ų | 125.2 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | trans | 74.5 | 86.6 | 155.3 | -47 | -21.1 | 0 | 0 | 0 | 117.4 | ||||
| 2255 | N | 33.1 | Very low | 29.6 | Very low | 161.8 Ų | 161.8 | 128.4 Ų | 128.4 | 87% | 0.865 | 71% | 0.713 | S | S | * | * | -170.3 | 123.2 | 122 | -90.3 | -26.3 | 0 | 0 | 0 | 110.2 | D2257 | N2255-D2257 VanDerWaalsContact C-N 3.29Å; N2255-D2257 PolarHBondContact O-N 3.07Å | |||
| 2256 | D | 29.8 | Very low | 29.5 | Very low | 154.8 Ų | 154.8 | 128.9 Ų | 128.9 | 83% | 0.828 | 72% | 0.719 | S | S | * | * | trans | -75.1 | 146.4 | 175.2 | -63.8 | -63.1 | 0 | 0 | 0 | 111.7 | ||||
| 2257 | D | 32 | Very low | 29.3 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | trans | 106 | 84.2 | 165.4 | -74.7 | -27.8 | 0 | 0 | 0 | 116.8 | N2255 | N2255-D2257 VanDerWaalsContact C-N 3.29Å; N2255-D2257 PolarHBondContact O-N 3.07Å | ||
| 2258 | N | 29.2 | Very low | 29.1 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 138.3 | 66.7 | 153 | -73.7 | -68.5 | 0 | 0 | 0 | 116.5 | N2260 | N2258-N2260 PolarHBondContact O-N 3.02Å; N2258-N2260 VanDerWaalsContact O-N 3.15Å | ||
| 2259 | V | 28.6 | Very low | 28.8 | Very low | 143.2 Ų | 143.2 | 137.5 Ų | 137.5 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | trans | -99.1 | 86.4 | 163.3 | -175 | 0 | 0 | 0 | 0 | 110.3 | C2261 | V2259-C2261 PolarHBondContact O-N 3.02Š| ||
| 2260 | N | 26.7 | Very low | 28.6 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | -85.8 | 120.9 | 166.3 | -93.3 | -33.7 | 0 | 0 | 0 | 109.8 | N2258 I2262 | N2258-N2260 PolarHBondContact O-N 3.02Å; N2258-N2260 VanDerWaalsContact O-N 3.15Å; N2260-I2262 PolarHBondContact O-N 2.93Å | ||
| 2261 | C | 26.9 | Very low | 28.7 | Very low | 115.2 Ų | 115.2 | 137.1 Ų | 137.1 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | -75.5 | 120.4 | 173.2 | -70.8 | 0 | 0 | 0 | 0 | 111.4 | V2259 S2263 | V2259-C2261 PolarHBondContact O-N 3.02Å; C2261-S2263 PolarHBondContact O-N 3Å | ||
| 2262 | I | 26.6 | Very low | 28.5 | Very low | 151.2 Ų | 151.2 | 137.2 Ų | 137.2 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | -80.6 | 84.6 | 166.4 | -54.6 | 179.4 | 0 | 0 | 0 | 110.1 | F2243 N2260 | F2243-I2262 HydrophobicContact CE1-CD1 3.89Å; N2260-I2262 PolarHBondContact O-N 2.93Å | ||
| 2263 | S | 25.1 | Very low | 28.4 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | trans | -80.4 | 143.4 | 159.1 | 53.2 | 0 | 0 | 0 | 0 | 110.5 | C2261 T2265 | C2261-S2263 PolarHBondContact O-N 3Å; S2263-T2265 PolarHBondContact O-N 3.16Å; S2263-T2265 PolarHBondContact O-OG1 3.4Å | ||
| 2264 | T | 26.2 | Very low | 28.4 | Very low | 112.8 Ų | 112.8 | 134.7 Ų | 134.7 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | 47.6 | 93 | 170.5 | 60 | 0 | 0 | 0 | 0 | 116 | S2266 | T2264-S2266 VanDerWaalsContact C-N 3.27Å; T2264-S2266 VanDerWaalsContact CB-OG 3.26Å; T2264-S2266 WeakPolarHBondContact CB-OG 3.29Å; T2264-S2266 WeakPolarHBondContact CG2-OG 3.41Å | ||
| 2265 | T | 27.8 | Very low | 28.2 | Very low | 126.4 Ų | 126.4 | 136.8 Ų | 136.8 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | -130.8 | 55 | 143 | 29 | 0 | 0 | 0 | 0 | 112 | S2263 K2267 | S2263-T2265 PolarHBondContact O-N 3.16Å; S2263-T2265 PolarHBondContact O-OG1 3.4Å; T2265-K2267 VanDerWaalsContact C-N 3.32Å; T2265-K2267 PolarHBondContact O-N 3.21Å | ||
| 2266 | S | 27.5 | Very low | 27.9 | Very low | 99.8 Ų | 99.8 | 134 Ų | 134 | 70% | 0.698 | 76% | 0.756 | S | S | * | * | trans | -63 | 81.2 | 155.1 | 33.1 | 0 | 0 | 0 | 0 | 109.6 | T2264 T2268 | T2264-S2266 VanDerWaalsContact C-N 3.27Å; T2264-S2266 VanDerWaalsContact CB-OG 3.26Å; T2264-S2266 WeakPolarHBondContact CB-OG 3.29Å; T2264-S2266 WeakPolarHBondContact CG2-OG 3.41Å; S2266-T2268 VanDerWaalsContact C-N 3.29Å; S2266-T2268 PolarHBondContact O-N 3.06Å | ||
| 2267 | K | 28.5 | Very low | 28 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 81% | 0.809 | 75% | 0.748 | S | S | * | * | trans | -79.3 | 102.8 | 167.9 | -80.9 | -172 | 176.9 | 178.7 | 0 | 108.6 | T2265 V2269 | T2265-K2267 VanDerWaalsContact C-N 3.32Å; T2265-K2267 PolarHBondContact O-N 3.21Å; K2267-V2269 VanDerWaalsContact C-N 3.32Å; K2267-V2269 PolarHBondContact O-N 3.23Å | ||
| 2268 | T | 26.9 | Very low | 28.1 | Very low | 118.4 Ų | 118.4 | 133.7 Ų | 133.7 | 73% | 0.726 | 75% | 0.749 | S | S | * | * | trans | -30.8 | 102.1 | 161.3 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | V2146 S2266 N2270 | V2146-T2268 HydrophobicContact CG1-CG2 3.86Å; S2266-T2268 VanDerWaalsContact C-N 3.29Å; S2266-T2268 PolarHBondContact O-N 3.06Å; T2268-N2270 PolarHBondContact O-N 3.2Å; T2268-N2270 VanDerWaalsContact O-N 3.11Å | ||
| 2269 | V | 28.3 | Very low | 28.8 | Very low | 127.2 Ų | 127.2 | 132 Ų | 132 | 77% | 0.771 | 74% | 0.739 | S | S | * | * | trans | -79.2 | 126.6 | 153.9 | 177.9 | 0 | 0 | 0 | 0 | 105.6 | K2267 T2271 | K2267-V2269 VanDerWaalsContact C-N 3.32Å; K2267-V2269 PolarHBondContact O-N 3.23Å; V2269-T2271 VanDerWaalsContact C-N 3.33Å; V2269-T2271 PolarHBondContact O-N 3.03Å; V2269-T2271 VanDerWaalsContact O-N 3.16Å | ||
| 2270 | N | 27.6 | Very low | 29.7 | Very low | 124.6 Ų | 124.6 | 128.3 Ų | 128.3 | 67% | 0.666 | 72% | 0.72 | S | S | * | * | trans | -64.6 | 109.4 | -175.3 | -97.3 | -10.5 | 0 | 0 | 0 | 110.3 | T2268 N2272 D2273 | T2268-N2270 PolarHBondContact O-N 3.2Å; T2268-N2270 VanDerWaalsContact O-N 3.11Å; N2270-N2272 VanDerWaalsContact C-N 3.29Å; N2270-N2272 PolarHBondContact O-N 3.18Å; N2270-D2273 PolarHBondContact ND2-OD2 3.43Å; N2270-D2273 PolarHBondContact O-N 2.95Å | ||
| 2271 | T | 29.7 | Very low | 30.7 | Very low | 114.6 Ų | 114.6 | 123.6 Ų | 123.6 | 70% | 0.703 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -70.3 | 48.8 | 171.7 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | V2269 | V2269-T2271 VanDerWaalsContact C-N 3.33Å; V2269-T2271 PolarHBondContact O-N 3.03Å; V2269-T2271 VanDerWaalsContact O-N 3.16Å |
| 2272 | N | 28.6 | Very low | 32.1 | Very low | 130.6 Ų | 130.6 | 121.5 Ų | 121.5 | 70% | 0.698 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -124.4 | 21.1 | 169.5 | -75.6 | -15.3 | 0 | 0 | 0 | 111 | N2270 L2274 | N2270-N2272 VanDerWaalsContact C-N 3.29Å; N2270-N2272 PolarHBondContact O-N 3.18Å; N2272-L2274 VanDerWaalsContact C-N 3.3Å |
| 2273 | D | 27.8 | Very low | 33.6 | Very low | 147.8 Ų | 147.8 | 115.4 Ų | 115.4 | 79% | 0.79 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -120.5 | 33.3 | 176.7 | -70.3 | -41.3 | 0 | 0 | 0 | 113.5 | N2270 Q2275 | N2270-D2273 PolarHBondContact ND2-OD2 3.43Å; N2270-D2273 PolarHBondContact O-N 2.95Å; D2273-Q2275 PolarHBondContact O-N 3.02Å; D2273-Q2275 VanDerWaalsContact O-N 3.14Å |
| 2274 | L | 29.8 | Very low | 35.3 | Very low | 145.4 Ų | 145.4 | 112.4 Ų | 112.4 | 76% | 0.761 | 62% | 0.624 | S | S | * | * | trans | -119.3 | 64.8 | 172.7 | -87.6 | 163.3 | 0 | 0 | 0 | 112.4 | N2272 C2276 | N2272-L2274 VanDerWaalsContact C-N 3.3Å; L2274-C2276 VanDerWaalsContact C-N 3.35Å; L2274-C2276 PolarHBondContact O-N 3.06Å; L2274-C2276 VanDerWaalsContact O-N 3.07Å | ||
| 2275 | Q | 25.9 | Very low | 36.9 | Very low | 187.2 Ų | 187.2 | 109.9 Ų | 109.9 | 88% | 0.875 | 61% | 0.606 | S | S | * | * | trans | -92.4 | 62.6 | 170.9 | -97.3 | -178.5 | -13.7 | 0 | 0 | 111.9 | D2273 N2277 | D2273-Q2275 PolarHBondContact O-N 3.02Å; D2273-Q2275 VanDerWaalsContact O-N 3.14Å; Q2275-N2277 PolarHBondContact O-N 3.36Å; Q2275-N2277 PolarHBondContact O-ND2 3.32Å; Q2275-N2277 VanDerWaalsContact O-ND2 3.15Å | ||
| 2276 | C | 26.6 | Very low | 38.7 | Very low | 104.6 Ų | 104.6 | 106.3 Ų | 106.3 | 71% | 0.707 | 58% | 0.582 | S | S | * | * | trans | -131.4 | 116.4 | 171.7 | -80.6 | 0 | 0 | 0 | 0 | 111.9 | L2274 | L2274-C2276 VanDerWaalsContact C-N 3.35Å; L2274-C2276 PolarHBondContact O-N 3.06Å; L2274-C2276 VanDerWaalsContact O-N 3.07Å | ||
| 2277 | N | 31.5 | Very low | 40.7 | Very low | 124.8 Ų | 124.8 | 102 Ų | 102 | 67% | 0.667 | 55% | 0.551 | S | S | * | * | trans | 42.1 | 94.1 | 169.8 | -69.6 | -19.6 | 0 | 0 | 0 | 118.9 | Q2275 N2279 S2280 S2281 | Q2275-N2277 PolarHBondContact O-N 3.36Å; Q2275-N2277 PolarHBondContact O-ND2 3.32Å; Q2275-N2277 VanDerWaalsContact O-ND2 3.15Å; N2277-N2279 VanDerWaalsContact C-N 3.29Å; N2277-N2279 HydrophobicContact CB-CB 4.13Å; N2277-N2279 PolarHBondContact O-N 3.09Å; N2277-N2279 VanDerWaalsContact O-N 3.11Å; N2277-S2280 WeakPolarHBondContact O-CB 3.49Å; N2277-S2280 PolarHBondContact O-N 3.4Å; N2277-S2281 PolarHBondContact O-OG 3.41Å | ||
| 2278 | E | 34.4 | Very low | 42.5 | Very low | 168.8 Ų | 168.8 | 93.8 Ų | 93.8 | 79% | 0.789 | 52% | 0.516 | S | S | * | . | trans | -64.4 | 8.5 | 175.8 | -60.7 | -174.8 | 144.1 | 0 | 0 | 114.8 | S2280 S2281 N2282 | E2278-S2280 PolarHBondContact O-N 3.05Å; E2278-S2281 PolarHBondContact O-OG 2.94Å; E2278-N2282 PolarHBondContact O-N 3.44Å; E2278-N2282 PolarHBondContact O-ND2 3.1Å; E2278-N2282 VanDerWaalsContact O-ND2 3.17Å | ||
| 2279 | N | 44.5 | Very low | 44.8 | Very low | 111.2 Ų | 111.2 | 91.6 Ų | 91.6 | 60% | 0.595 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -79.4 | -17.9 | 177.8 | -73.2 | -35.7 | 0 | 0 | 0 | 115.4 | R2119 N2277 S2281 N2282 | R2119-N2279 PolarHBondContact NH1-O 2.85Å; R2119-N2279 PolarHBondContact NH1-OD1 2.79Å; R2119-N2279 PolarHBondContact NH2-O 3.13Å; R2119-N2279 PolarHBondContact NH2-OD1 2.77Å; N2277-N2279 VanDerWaalsContact C-N 3.29Å; N2277-N2279 HydrophobicContact CB-CB 4.13Å; N2277-N2279 PolarHBondContact O-N 3.09Å; N2277-N2279 VanDerWaalsContact O-N 3.11Å; N2279-S2281 PolarHBondContact O-N 3.1Å; N2279-S2281 PolarHBondContact O-OG 2.87Å; N2279-S2281 VanDerWaalsContact O-OG 3.11Å; N2279-N2282 PolarHBondContact O-N 3.03Å |
| 2280 | S | 45.8 | Very low | 47.2 | Very low | 66.4 Ų | 66.4 | 85.7 Ų | 85.7 | 46% | 0.464 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -39.7 | -174.4 | -43.9 | 0 | 0 | 0 | 0 | 114.2 | L2219 N2277 E2278 N2282 Y2283 L2284 | L2219-S2280 WeakPolarHBondContact CD2-OG 3.42Å; N2277-S2280 WeakPolarHBondContact O-CB 3.49Å; N2277-S2280 PolarHBondContact O-N 3.4Å; E2278-S2280 PolarHBondContact O-N 3.05Å; S2280-N2282 PolarHBondContact O-N 3.2Å; S2280-Y2283 PolarHBondContact O-N 2.87Å; S2280-L2284 PolarHBondContact O-N 3.04Å |
| 2281 | S | 48.6 | Very low | 49.9 | Very low | 46.4 Ų | 46.4 | 79.8 Ų | 79.8 | 32% | 0.324 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 179.2 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | E2232 N2277 E2278 N2279 Y2283 L2284 I2285 | E2232-S2281 WeakPolarHBondContact OE2-CB 3.39Å; E2232-S2281 PolarHBondContact OE2-OG 3.09Å; N2277-S2281 PolarHBondContact O-OG 3.41Å; E2278-S2281 PolarHBondContact O-OG 2.94Å; N2279-S2281 PolarHBondContact O-N 3.1Å; N2279-S2281 PolarHBondContact O-OG 2.87Å; N2279-S2281 VanDerWaalsContact O-OG 3.11Å; S2281-Y2283 PolarHBondContact O-N 3.18Å; S2281-Y2283 VanDerWaalsContact O-N 3.13Å; S2281-L2284 VanDerWaalsContact O-CB 3.28Å; S2281-L2284 WeakPolarHBondContact O-CB 3.34Å; S2281-L2284 PolarHBondContact O-N 3.34Å; S2281-L2284 VanDerWaalsContact O-N 3.16Å; S2281-I2285 WeakPolarHBondContact O-CB 3.45Å; S2281-I2285 VanDerWaalsContact O-CG1 3.27Å; S2281-I2285 WeakPolarHBondContact O-CG1 3.34Å; S2281-I2285 PolarHBondContact O-N 3.27Å |
| 2282 | N | 57.1 | Low | 52.5 | Low | 71.2 Ų | 71.2 | 76.1 Ų | 76.1 | 38% | 0.381 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.5 | -28.9 | -180 | -78 | -45.6 | 0 | 0 | 0 | 113.7 | E2278 N2279 S2280 N2286 | E2278-N2282 PolarHBondContact O-N 3.44Å; E2278-N2282 PolarHBondContact O-ND2 3.1Å; E2278-N2282 VanDerWaalsContact O-ND2 3.17Å; N2279-N2282 PolarHBondContact O-N 3.03Å; S2280-N2282 PolarHBondContact O-N 3.2Å; N2282-N2286 WeakPolarHBondContact O-CB 3.4Å; N2282-N2286 PolarHBondContact O-N 3.22Å; N2282-N2286 VanDerWaalsContact O-N 3.13Å; N2282-N2286 PolarHBondContact O-ND2 3.11Å; N2282-N2286 VanDerWaalsContact O-ND2 3.16Å |
| 2283 | Y | 57.6 | Low | 55.2 | Low | 22.6 Ų | 22.6 | 70.8 Ų | 70.8 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.4 | -46.4 | 176.8 | 179.1 | -107 | 0 | 0 | 0 | 111.9 | L2118 R2119 I2122 L2219 L2220 S2280 S2281 I2285 N2286 Q2287 | L2118-Y2283 VanDerWaalsContact CD2-OH 3.29Å; L2118-Y2283 WeakPolarHBondContact CD2-OH 3.36Å; R2119-Y2283 HydrophobicContact CB-CD2 4.33Å; R2119-Y2283 HydrophobicContact CB-CE2 4.28Å; R2119-Y2283 HydrophobicContact CG-CD2 4.03Å; R2119-Y2283 HydrophobicContact CG-CE2 4.08Å; R2119-Y2283 HydrophobicContact CG-CG 4.34Å; I2122-Y2283 HydrophobicContact CD1-CE2 4.09Å; L2219-Y2283 HydrophobicContact CD2-CD1 3.78Å; L2219-Y2283 VanDerWaalsContact CD2-CD1 3.48Å; L2219-Y2283 HydrophobicContact CD2-CE1 3.74Å; L2219-Y2283 HydrophobicContact CD2-CG 4.48Å; L2220-Y2283 HydrophobicContact CD2-CE1 4.05Å; S2280-Y2283 PolarHBondContact O-N 2.87Å; S2281-Y2283 PolarHBondContact O-N 3.18Å; S2281-Y2283 VanDerWaalsContact O-N 3.13Å; Y2283-I2285 VanDerWaalsContact C-N 3.31Å; Y2283-I2285 PolarHBondContact O-N 3.08Å; Y2283-N2286 PolarHBondContact O-N 3.21Å; Y2283-Q2287 HydrophobicContact CE1-CG 4.28Å; Y2283-Q2287 VanDerWaalsContact CE1-NE2 3.28Å; Y2283-Q2287 HydrophobicContact CE2-CG 4.48Å; Y2283-Q2287 VanDerWaalsContact CZ-NE2 3.26Å; Y2283-Q2287 PolarHBondContact O-N 2.98Å; Y2283-Q2287 VanDerWaalsContact O-N 3.09Å; Y2283-Q2287 PolarHBondContact OH-NE2 3Å; Y2283-Q2287 VanDerWaalsContact OH-NE2 3.12Å |
| 2284 | L | 60.3 | Low | 58.1 | Low | 23.8 Ų | 23.8 | 63.8 Ų | 63.8 | 13% | 0.125 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.6 | -135.5 | 100.3 | 0 | 0 | 0 | 111.5 | L2220 L2229 M2233 S2280 S2281 N2286 Q2287 L2288 L2379 | L2220-L2284 HydrophobicContact CD2-CD1 3.74Å; L2220-L2284 VanDerWaalsContact CD2-CD1 3.5Å; L2220-L2284 HydrophobicContact CD2-CD2 3.93Å; L2220-L2284 HydrophobicContact CD2-CG 4.22Å; L2220-L2284 HydrophobicContact CG-CD1 3.65Å; L2220-L2284 HydrophobicContact CG-CG 4.44Å; L2229-L2284 HydrophobicContact CD1-CB 4.42Å; L2229-L2284 HydrophobicContact CD1-CD1 3.62Å; L2229-L2284 HydrophobicContact CD2-CD2 4.23Å; M2233-L2284 HydrophobicContact CE-CD2 4.29Å; M2233-L2284 HydrophobicContact SD-CB 4.18Å; M2233-L2284 HydrophobicContact SD-CD2 3.35Å; M2233-L2284 WeakPolarHBondContact SD-CD2 3.2Å; M2233-L2284 HydrophobicContact SD-CG 4.37Å; S2280-L2284 PolarHBondContact O-N 3.04Å; S2281-L2284 VanDerWaalsContact O-CB 3.28Å; S2281-L2284 WeakPolarHBondContact O-CB 3.34Å; S2281-L2284 PolarHBondContact O-N 3.34Å; S2281-L2284 VanDerWaalsContact O-N 3.16Å; L2284-N2286 VanDerWaalsContact C-N 3.33Å; L2284-N2286 PolarHBondContact O-N 3.03Å; L2284-Q2287 WeakPolarHBondContact O-CB 3.38Å; L2284-Q2287 PolarHBondContact O-N 3.13Å; L2284-L2288 HydrophobicContact CD1-CD1 4.48Å; L2284-L2288 HydrophobicContact CD2-CD1 4.46Å; L2284-L2288 HydrophobicContact CG-CD1 4.15Å; L2284-L2288 WeakPolarHBondContact O-CD1 3.26Å; L2284-L2288 VanDerWaalsContact O-CG 3.3Å; L2284-L2288 WeakPolarHBondContact O-CG 3.44Å; L2284-L2288 PolarHBondContact O-N 3.11Å; L2284-L2379 HydrophobicContact CD1-CD1 4.47Å; L2284-L2379 HydrophobicContact CD2-CD1 4.19Å |
| 2285 | I | 61.2 | Low | 60.8 | Low | 59.4 Ų | 59.4 | 56.9 Ų | 56.9 | 31% | 0.305 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 176.2 | -69.2 | 168 | 0 | 0 | 0 | 110.7 | L2229 M2233 S2281 Y2283 Q2287 L2288 Y2289 | L2229-I2285 HydrophobicContact CD2-CG1 4.4Å; M2233-I2285 HydrophobicContact CG-CG1 4.4Å; S2281-I2285 WeakPolarHBondContact O-CB 3.45Å; S2281-I2285 VanDerWaalsContact O-CG1 3.27Å; S2281-I2285 WeakPolarHBondContact O-CG1 3.34Å; S2281-I2285 PolarHBondContact O-N 3.27Å; Y2283-I2285 VanDerWaalsContact C-N 3.31Å; Y2283-I2285 PolarHBondContact O-N 3.08Å; I2285-Q2287 VanDerWaalsContact C-N 3.33Å; I2285-Q2287 PolarHBondContact O-N 2.99Å; I2285-L2288 PolarHBondContact O-N 2.97Å; I2285-Y2289 HydrophobicContact CG2-CD2 3.66Å; I2285-Y2289 HydrophobicContact CG2-CE2 3.47Å; I2285-Y2289 VanDerWaalsContact CG2-CE2 3.43Å; I2285-Y2289 VanDerWaalsContact O-CD2 3.28Å; I2285-Y2289 WeakPolarHBondContact O-CD2 3.38Å; I2285-Y2289 PolarHBondContact O-N 3.22Å |
| 2286 | N | 64.2 | Low | 63.6 | Low | 52.2 Ų | 52.2 | 49.4 Ų | 49.4 | 28% | 0.279 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 176.9 | -83.7 | -47.9 | 0 | 0 | 0 | 113.4 | I2122 R2126 N2282 Y2283 L2284 S2290 | I2122-N2286 HydrophobicContact CG2-CB 4.15Å; R2126-N2286 PolarHBondContact NH1-OD1 3.13Å; N2282-N2286 WeakPolarHBondContact O-CB 3.4Å; N2282-N2286 PolarHBondContact O-N 3.22Å; N2282-N2286 VanDerWaalsContact O-N 3.13Å; N2282-N2286 PolarHBondContact O-ND2 3.11Å; N2282-N2286 VanDerWaalsContact O-ND2 3.16Å; Y2283-N2286 PolarHBondContact O-N 3.21Å; L2284-N2286 VanDerWaalsContact C-N 3.33Å; L2284-N2286 PolarHBondContact O-N 3.03Å; N2286-S2290 WeakPolarHBondContact O-CB 3.38Å; N2286-S2290 PolarHBondContact O-N 3.05Å; N2286-S2290 PolarHBondContact O-OG 3.16Å |
| 2287 | Q | 69 | Low | 66.3 | Low | 8.6 Ų | 8.6 | 45.8 Ų | 45.8 | 4% | 0.04 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 173.1 | -86.6 | -170.1 | -4.7 | 0 | 0 | 111.8 | I2122 Y2283 L2284 I2285 Y2289 S2290 V2291 N2380 | I2122-Q2287 HydrophobicContact CD1-CG 4.36Å; Y2283-Q2287 HydrophobicContact CE1-CG 4.28Å; Y2283-Q2287 VanDerWaalsContact CE1-NE2 3.28Å; Y2283-Q2287 HydrophobicContact CE2-CG 4.48Å; Y2283-Q2287 VanDerWaalsContact CZ-NE2 3.26Å; Y2283-Q2287 PolarHBondContact O-N 2.98Å; Y2283-Q2287 VanDerWaalsContact O-N 3.09Å; Y2283-Q2287 PolarHBondContact OH-NE2 3Å; Y2283-Q2287 VanDerWaalsContact OH-NE2 3.12Å; L2284-Q2287 WeakPolarHBondContact O-CB 3.38Å; L2284-Q2287 PolarHBondContact O-N 3.13Å; I2285-Q2287 VanDerWaalsContact C-N 3.33Å; I2285-Q2287 PolarHBondContact O-N 2.99Å; Q2287-Y2289 VanDerWaalsContact C-N 3.34Å; Q2287-Y2289 PolarHBondContact O-N 3.03Å; Q2287-S2290 WeakPolarHBondContact O-CA 3.23Å; Q2287-S2290 WeakPolarHBondContact O-CB 3.37Å; Q2287-S2290 PolarHBondContact O-N 2.99Å; Q2287-S2290 VanDerWaalsContact O-N 3.11Å; Q2287-V2291 WeakPolarHBondContact O-CG2 3.42Å; Q2287-V2291 PolarHBondContact O-N 2.93Å; Q2287-V2291 VanDerWaalsContact O-N 3.1Å; Q2287-N2380 PolarHBondContact OE1-ND2 2.98Å |
| 2288 | L | 67.6 | Low | 68.9 | Low | 14.2 Ų | 14.2 | 40 Ų | 40 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 178.2 | -70.7 | 163.7 | 0 | 0 | 0 | 111.8 | M2233 L2284 I2285 S2290 V2291 K2292 L2379 N2380 L2383 | M2233-L2288 HydrophobicContact CE-CB 4.31Å; M2233-L2288 HydrophobicContact CE-CD1 3.72Å; M2233-L2288 HydrophobicContact CE-CD2 4.19Å; M2233-L2288 HydrophobicContact CE-CG 4.37Å; M2233-L2288 HydrophobicContact SD-CD1 3.89Å; L2284-L2288 HydrophobicContact CD1-CD1 4.48Å; L2284-L2288 HydrophobicContact CD2-CD1 4.46Å; L2284-L2288 HydrophobicContact CG-CD1 4.15Å; L2284-L2288 WeakPolarHBondContact O-CD1 3.26Å; L2284-L2288 VanDerWaalsContact O-CG 3.3Å; L2284-L2288 WeakPolarHBondContact O-CG 3.44Å; L2284-L2288 PolarHBondContact O-N 3.11Å; I2285-L2288 PolarHBondContact O-N 2.97Å; L2288-S2290 VanDerWaalsContact C-N 3.34Å; L2288-S2290 PolarHBondContact O-N 2.88Å; L2288-V2291 WeakPolarHBondContact O-CB 3.36Å; L2288-V2291 PolarHBondContact O-N 3.16Å; L2288-K2292 PolarHBondContact O-N 3.09Å; L2288-K2292 VanDerWaalsContact O-N 3.11Å; L2288-L2379 HydrophobicContact CD2-CB 4.37Å; L2288-N2380 VanDerWaalsContact CD2-OD1 3.28Å; L2288-N2380 WeakPolarHBondContact CD2-OD1 3.4Å; L2288-L2383 HydrophobicContact CB-CD2 4.3Å; L2288-L2383 HydrophobicContact CD2-CB 4.45Å; L2288-L2383 HydrophobicContact CD2-CD2 3.83Å; L2288-L2383 WeakPolarHBondContact O-CD2 3.36Å |
| 2289 | Y | 74.7 | Confident | 71.4 | Confident | 72.8 Ų | 72.8 | 32.6 Ų | 32.6 | 29% | 0.285 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 171.4 | -79.1 | -64.4 | 0 | 0 | 0 | 112.4 | R2126 I2240 F2243 I2285 Q2287 V2291 K2292 D2293 | R2126-Y2289 VanDerWaalsContact CZ-CB 3.41Å; I2240-Y2289 HydrophobicContact CD1-CD1 4.45Å; I2240-Y2289 HydrophobicContact CD1-CE1 4.06Å; I2240-Y2289 HydrophobicContact CD1-CE2 4.41Å; I2240-Y2289 WeakPolarHBondContact CD1-OH 3.45Å; I2240-Y2289 HydrophobicContact CG1-CE1 3.95Å; F2243-Y2289 HydrophobicContact CD2-CE1 4.35Å; F2243-Y2289 HydrophobicContact CE2-CD1 4.16Å; F2243-Y2289 AromaticContact CE2-CE1 3.69Å; F2243-Y2289 HydrophobicContact CE2-CE1 3.69Å; F2243-Y2289 HydrophobicContact CE2-CE2 4.14Å; F2243-Y2289 AromaticContact CE2-CZ 3.67Å; I2285-Y2289 HydrophobicContact CG2-CD2 3.66Å; I2285-Y2289 HydrophobicContact CG2-CE2 3.47Å; I2285-Y2289 VanDerWaalsContact CG2-CE2 3.43Å; I2285-Y2289 VanDerWaalsContact O-CD2 3.28Å; I2285-Y2289 WeakPolarHBondContact O-CD2 3.38Å; I2285-Y2289 PolarHBondContact O-N 3.22Å; Q2287-Y2289 VanDerWaalsContact C-N 3.34Å; Q2287-Y2289 PolarHBondContact O-N 3.03Å; Y2289-V2291 VanDerWaalsContact C-N 3.31Å; Y2289-V2291 PolarHBondContact O-N 3.2Å; Y2289-K2292 CarbonylContact O-C 3.49Å; Y2289-K2292 WeakPolarHBondContact O-CA 3.44Å; Y2289-K2292 WeakPolarHBondContact O-CB 3.42Å; Y2289-K2292 PolarHBondContact O-N 2.92Å; Y2289-K2292 VanDerWaalsContact O-N 3.1Å; Y2289-D2293 WeakPolarHBondContact O-CB 3.38Å; Y2289-D2293 PolarHBondContact O-N 2.94Å |
| 2290 | S | 78.3 | Confident | 73.4 | Confident | 3.4 Ų | 3.4 | 28.4 Ų | 28.4 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -39.1 | 175.2 | -157.1 | 0 | 0 | 0 | 0 | 112.4 | I2122 N2286 Q2287 L2288 K2292 D2293 L2294 | I2122-S2290 WeakPolarHBondContact CG2-OG 3.33Å; N2286-S2290 WeakPolarHBondContact O-CB 3.38Å; N2286-S2290 PolarHBondContact O-N 3.05Å; N2286-S2290 PolarHBondContact O-OG 3.16Å; Q2287-S2290 WeakPolarHBondContact O-CA 3.23Å; Q2287-S2290 WeakPolarHBondContact O-CB 3.37Å; Q2287-S2290 PolarHBondContact O-N 2.99Å; Q2287-S2290 VanDerWaalsContact O-N 3.11Å; L2288-S2290 VanDerWaalsContact C-N 3.34Å; L2288-S2290 PolarHBondContact O-N 2.88Å; S2290-K2292 VanDerWaalsContact C-N 3.32Å; S2290-K2292 PolarHBondContact O-N 3.34Å; S2290-D2293 PolarHBondContact O-N 3.03Å; S2290-L2294 WeakPolarHBondContact O-CB 3.38Å; S2290-L2294 WeakPolarHBondContact O-CD1 3.27Å; S2290-L2294 VanDerWaalsContact O-CG 3.24Å; S2290-L2294 WeakPolarHBondContact O-CG 3.3Å; S2290-L2294 PolarHBondContact O-N 3.14Å; S2290-L2294 VanDerWaalsContact O-N 3.08Å |
| 2291 | V | 84.3 | Confident | 75.2 | Confident | 0.6 Ų | 0.6 | 26.1 Ų | 26.1 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 171.6 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | Q2287 L2288 Y2289 D2293 L2294 V2295 L2370 I2373 N2380 L2383 L2384 | Q2287-V2291 WeakPolarHBondContact O-CG2 3.42Å; Q2287-V2291 PolarHBondContact O-N 2.93Å; Q2287-V2291 VanDerWaalsContact O-N 3.1Å; L2288-V2291 WeakPolarHBondContact O-CB 3.36Å; L2288-V2291 PolarHBondContact O-N 3.16Å; Y2289-V2291 VanDerWaalsContact C-N 3.31Å; Y2289-V2291 PolarHBondContact O-N 3.2Å; V2291-D2293 PolarHBondContact O-N 3.2Å; V2291-L2294 PolarHBondContact O-N 3.24Å; V2291-V2295 HydrophobicContact CG1-CG2 4.34Å; V2291-V2295 WeakPolarHBondContact O-CB 3.37Å; V2291-V2295 VanDerWaalsContact O-CG2 3.23Å; V2291-V2295 WeakPolarHBondContact O-CG2 3.46Å; V2291-V2295 PolarHBondContact O-N 3.04Å; V2291-L2370 HydrophobicContact CB-CD2 4.39Å; V2291-L2370 HydrophobicContact CG1-CD1 4.14Å; V2291-L2370 HydrophobicContact CG1-CD2 4.22Å; V2291-L2370 HydrophobicContact CG2-CD1 4.44Å; V2291-L2370 HydrophobicContact CG2-CD2 4.25Å; V2291-I2373 HydrophobicContact CG2-CD1 3.62Å; V2291-I2373 HydrophobicContact CG2-CG1 4.3Å; V2291-I2373 HydrophobicContact CG2-CG2 4.07Å; V2291-N2380 HydrophobicContact CG2-CB 4.28Å; V2291-L2383 HydrophobicContact CB-CD2 4.07Å; V2291-L2383 HydrophobicContact CG1-CD2 4.11Å; V2291-L2383 HydrophobicContact CG1-CG 4.3Å; V2291-L2384 HydrophobicContact CG1-CB 4.25Å; V2291-L2384 HydrophobicContact CG1-CD1 4.46Å |
| 2292 | K | 84.9 | Confident | 76.7 | Confident | 36.8 Ų | 36.8 | 25.3 Ų | 25.3 | 16% | 0.16 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.4 | -49.1 | 179.8 | -171.5 | -179.8 | -177.1 | -179.5 | 0 | 111.9 | I2240 D2242 L2288 Y2289 S2290 L2294 V2295 E2296 M2387 | I2240-K2292 HydrophobicContact CG2-CD 3.69Å; I2240-K2292 VanDerWaalsContact CG2-NZ 3.26Å; I2240-K2292 PolarHBondContact O-NZ 3.15Å; D2242-K2292 PolarHBondContact O-NZ 2.67Å; L2288-K2292 PolarHBondContact O-N 3.09Å; L2288-K2292 VanDerWaalsContact O-N 3.11Å; Y2289-K2292 CarbonylContact O-C 3.49Å; Y2289-K2292 WeakPolarHBondContact O-CA 3.44Å; Y2289-K2292 WeakPolarHBondContact O-CB 3.42Å; Y2289-K2292 PolarHBondContact O-N 2.92Å; Y2289-K2292 VanDerWaalsContact O-N 3.1Å; S2290-K2292 VanDerWaalsContact C-N 3.32Å; S2290-K2292 PolarHBondContact O-N 3.34Å; K2292-L2294 PolarHBondContact O-N 3.02Å; K2292-V2295 PolarHBondContact O-N 3.1Å; K2292-E2296 VanDerWaalsContact CE-CD 3.43Å; K2292-E2296 WeakPolarHBondContact CE-OE1 3.31Å; K2292-E2296 VanDerWaalsContact CE-OE2 3.28Å; K2292-E2296 WeakPolarHBondContact CE-OE2 3.33Å; K2292-E2296 HydrophobicContact CG-CG 4.44Å; K2292-E2296 IonicContact NZ-OE1 3.43Å; K2292-E2296 IonicContact NZ-OE2 2.75Å; K2292-E2296 WeakPolarHBondContact O-CB 3.35Å; K2292-E2296 PolarHBondContact O-N 3.24Å; K2292-M2387 HydrophobicContact CB-CE 4.29Å; K2292-M2387 HydrophobicContact CB-SD 4.29Å; K2292-M2387 HydrophobicContact CG-CE 3.78Å; K2292-M2387 HydrophobicContact CG-SD 4.33Å |
| 2293 | D | 84.3 | Confident | 77.9 | Confident | 18.6 Ų | 18.6 | 22.5 Ų | 22.5 | 10% | 0.099 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | -176.6 | -63.5 | -21.5 | 0 | 0 | 0 | 110.9 | R2126 Y2289 S2290 V2291 V2295 L2297 L2298 | R2126-D2293 IonicContact CZ-OD2 3.06Å; R2126-D2293 VanDerWaalsContact CZ-OD2 3.28Å; R2126-D2293 IonicContact NE-OD2 3.15Å; R2126-D2293 PolarHBondContact NE-OD2 2.97Å; R2126-D2293 IonicContact NH2-OD2 3.5Å; R2126-D2293 PolarHBondContact NH2-OD2 3.15Å; Y2289-D2293 WeakPolarHBondContact O-CB 3.38Å; Y2289-D2293 PolarHBondContact O-N 2.94Å; S2290-D2293 PolarHBondContact O-N 3.03Å; V2291-D2293 PolarHBondContact O-N 3.2Å; D2293-V2295 VanDerWaalsContact C-N 3.34Å; D2293-V2295 PolarHBondContact O-N 3.42Å; D2293-L2297 HydrophobicContact CB-CD1 4.17Å; D2293-L2297 CarbonylContact O-C 3.5Å; D2293-L2297 VanDerWaalsContact O-CA 3.32Å; D2293-L2297 WeakPolarHBondContact O-CA 3.35Å; D2293-L2297 WeakPolarHBondContact O-CB 3.44Å; D2293-L2297 WeakPolarHBondContact O-CG 3.48Å; D2293-L2297 PolarHBondContact O-N 3.05Å; D2293-L2298 PolarHBondContact O-N 3.1Å |
| 2294 | L | 89 | Confident | 79.1 | Confident | 0.6 Ų | 0.6 | 24 Ų | 24 | 0% | 0.003 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -65.3 | -38.9 | 175.1 | -68.7 | 169.4 | 0 | 0 | 0 | 112.9 | I2129 L2199 S2290 V2291 K2292 L2298 L2299 T2366 F2369 L2370 I2373 | I2129-L2294 HydrophobicContact CD1-CD2 3.53Å; I2129-L2294 VanDerWaalsContact CD1-CD2 3.45Å; I2129-L2294 HydrophobicContact CD1-CG 4.24Å; L2199-L2294 HydrophobicContact CD2-CD1 4.34Å; L2199-L2294 HydrophobicContact CD2-CD2 3.94Å; S2290-L2294 WeakPolarHBondContact O-CB 3.38Å; S2290-L2294 WeakPolarHBondContact O-CD1 3.27Å; S2290-L2294 VanDerWaalsContact O-CG 3.24Å; S2290-L2294 WeakPolarHBondContact O-CG 3.3Å; S2290-L2294 PolarHBondContact O-N 3.14Å; S2290-L2294 VanDerWaalsContact O-N 3.08Å; V2291-L2294 PolarHBondContact O-N 3.24Å; K2292-L2294 PolarHBondContact O-N 3.02Å; L2294-L2298 HydrophobicContact CD2-CD1 3.8Å; L2294-L2298 HydrophobicContact CD2-CD2 3.74Å; L2294-L2298 VanDerWaalsContact O-CB 3.31Å; L2294-L2298 WeakPolarHBondContact O-CB 3.4Å; L2294-L2298 PolarHBondContact O-N 3.18Å; L2294-L2299 WeakPolarHBondContact O-CB 3.46Å; L2294-L2299 PolarHBondContact O-N 3.25Å; L2294-T2366 HydrophobicContact CB-CG2 3.99Å; L2294-T2366 HydrophobicContact CD1-CG2 4.46Å; L2294-T2366 HydrophobicContact CD2-CG2 3.94Å; L2294-T2366 HydrophobicContact CG-CG2 4.37Å; L2294-F2369 HydrophobicContact CD1-CD1 3.62Å; L2294-F2369 HydrophobicContact CD1-CE1 3.82Å; L2294-L2370 HydrophobicContact CB-CD2 4.3Å; L2294-L2370 HydrophobicContact CD1-CD2 4.11Å; L2294-L2370 HydrophobicContact CD1-CG 4.45Å; L2294-I2373 HydrophobicContact CD1-CD1 4.44Å |
| 2295 | V | 87.9 | Confident | 80 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -76.9 | -50.8 | -178.1 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | V2291 K2292 D2293 F2300 L2370 L2384 M2387 L2391 | V2291-V2295 HydrophobicContact CG1-CG2 4.34Å; V2291-V2295 WeakPolarHBondContact O-CB 3.37Å; V2291-V2295 VanDerWaalsContact O-CG2 3.23Å; V2291-V2295 WeakPolarHBondContact O-CG2 3.46Å; V2291-V2295 PolarHBondContact O-N 3.04Å; K2292-V2295 PolarHBondContact O-N 3.1Å; D2293-V2295 VanDerWaalsContact C-N 3.34Å; D2293-V2295 PolarHBondContact O-N 3.42Å; V2295-F2300 HydrophobicContact CB-CD2 4.45Å; V2295-F2300 HydrophobicContact CG1-CD2 3.81Å; V2295-F2300 HydrophobicContact CG1-CE2 4.19Å; V2295-F2300 WeakPolarHBondContact O-CA 3.23Å; V2295-F2300 WeakPolarHBondContact O-CB 3.32Å; V2295-F2300 VanDerWaalsContact O-CD2 3.26Å; V2295-F2300 WeakPolarHBondContact O-CD2 3.44Å; V2295-F2300 PolarHBondContact O-N 2.99Å; V2295-L2370 HydrophobicContact CG2-CD1 4.03Å; V2295-L2370 HydrophobicContact CG2-CD2 4.26Å; V2295-L2384 HydrophobicContact CG2-CD1 3.55Å; V2295-L2384 VanDerWaalsContact CG2-CD1 3.49Å; V2295-M2387 HydrophobicContact CB-CE 3.84Å; V2295-M2387 HydrophobicContact CB-SD 4.36Å; V2295-M2387 HydrophobicContact CG1-CB 4.06Å; V2295-M2387 HydrophobicContact CG1-CE 3.69Å; V2295-M2387 HydrophobicContact CG1-SD 4.32Å; V2295-L2391 HydrophobicContact CG1-CD1 3.7Å |
| 2296 | E | 84.7 | Confident | 80.8 | Confident | 30.6 Ų | 30.6 | 24.7 Ų | 24.7 | 14% | 0.143 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -79.5 | -38.7 | -176.8 | -80.4 | 178.9 | -154.7 | 0 | 0 | 114.1 | K2292 F2300 P2301 K2304 M2387 L2391 | K2292-E2296 VanDerWaalsContact CE-CD 3.43Å; K2292-E2296 WeakPolarHBondContact CE-OE1 3.31Å; K2292-E2296 VanDerWaalsContact CE-OE2 3.28Å; K2292-E2296 WeakPolarHBondContact CE-OE2 3.33Å; K2292-E2296 HydrophobicContact CG-CG 4.44Å; K2292-E2296 IonicContact NZ-OE1 3.43Å; K2292-E2296 IonicContact NZ-OE2 2.75Å; K2292-E2296 WeakPolarHBondContact O-CB 3.35Å; K2292-E2296 PolarHBondContact O-N 3.24Å; E2296-F2300 CarbonylContact O-C 3.5Å; E2296-P2301 WeakPolarHBondContact O-CA 3.22Å; E2296-P2301 WeakPolarHBondContact O-CB 3.39Å; E2296-K2304 HydrophobicContact CB-CB 4.5Å; E2296-K2304 HydrophobicContact CB-CD 4Å; E2296-K2304 HydrophobicContact CB-CG 4.31Å; E2296-K2304 HydrophobicContact CG-CB 4.26Å; E2296-K2304 HydrophobicContact CG-CD 4.03Å; E2296-K2304 HydrophobicContact CG-CG 4Å; E2296-K2304 WeakPolarHBondContact OE2-CE 3.41Å; E2296-K2304 IonicContact OE2-NZ 3.45Å; E2296-K2304 PolarHBondContact OE2-NZ 2.99Å; E2296-M2387 HydrophobicContact CB-CE 4.45Å; E2296-M2387 HydrophobicContact CG-CE 3.61Å; E2296-M2387 WeakPolarHBondContact OE1-CE 3.39Å; E2296-L2391 HydrophobicContact CG-CD1 4.17Å |
| 2297 | L | 83.5 | Confident | 81.4 | Confident | 29.6 Ų | 29.6 | 22.7 Ų | 22.7 | 16% | 0.155 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -99.3 | -26.3 | -169.9 | -49.6 | 179.5 | 0 | 0 | 0 | 113 | I2129 Q2133 D2293 K2304 | I2129-L2297 HydrophobicContact CG2-CB 3.7Å; I2129-L2297 HydrophobicContact CG2-CD1 4.17Å; I2129-L2297 HydrophobicContact CG2-CG 4.37Å; Q2133-L2297 HydrophobicContact CG-CB 4.2Å; Q2133-L2297 WeakPolarHBondContact CG-O 3.5Å; Q2133-L2297 PolarHBondContact NE2-O 3.02Å; D2293-L2297 HydrophobicContact CB-CD1 4.17Å; D2293-L2297 CarbonylContact O-C 3.5Å; D2293-L2297 VanDerWaalsContact O-CA 3.32Å; D2293-L2297 WeakPolarHBondContact O-CA 3.35Å; D2293-L2297 WeakPolarHBondContact O-CB 3.44Å; D2293-L2297 WeakPolarHBondContact O-CG 3.48Å; D2293-L2297 PolarHBondContact O-N 3.05Å; L2297-K2304 HydrophobicContact CD2-CD 4.32Å |
| 2298 | L | 85.3 | Confident | 81.9 | Confident | 1.4 Ų | 1.4 | 26.6 Ų | 26.6 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -106.1 | -51.7 | -178 | -147.2 | 79.4 | 0 | 0 | 0 | 113.7 | I2129 I2195 L2199 D2293 L2294 C2358 L2362 T2366 | I2129-L2298 HydrophobicContact CD1-CD1 3.92Å; I2129-L2298 HydrophobicContact CD1-CD2 4.24Å; I2129-L2298 HydrophobicContact CD1-CG 4.29Å; I2129-L2298 HydrophobicContact CG1-CD1 4.1Å; I2129-L2298 HydrophobicContact CG1-CD2 4.31Å; I2129-L2298 HydrophobicContact CG1-CG 4.14Å; I2129-L2298 HydrophobicContact CG2-CB 4.35Å; I2129-L2298 HydrophobicContact CG2-CD2 4.15Å; I2129-L2298 HydrophobicContact CG2-CG 4.2Å; I2195-L2298 HydrophobicContact CD1-CD1 4.29Å; I2195-L2298 HydrophobicContact CG2-CD1 4.18Å; I2195-L2298 HydrophobicContact CG2-CD2 4.14Å; L2199-L2298 HydrophobicContact CD1-CD2 4.48Å; D2293-L2298 PolarHBondContact O-N 3.1Å; L2294-L2298 HydrophobicContact CD2-CD1 3.8Å; L2294-L2298 HydrophobicContact CD2-CD2 3.74Å; L2294-L2298 VanDerWaalsContact O-CB 3.31Å; L2294-L2298 WeakPolarHBondContact O-CB 3.4Å; L2294-L2298 PolarHBondContact O-N 3.18Å; L2298-C2358 PolarHBondContact O-SG 3.41Å; L2298-L2362 HydrophobicContact CD1-CD1 4.16Å; L2298-L2362 HydrophobicContact CD1-CD2 3.83Å; L2298-L2362 HydrophobicContact CD2-CD1 4.16Å; L2298-L2362 HydrophobicContact CD2-CD2 4.22Å; L2298-L2362 HydrophobicContact CD2-CG 4.25Å; L2298-L2362 HydrophobicContact CG-CD2 4.21Å; L2298-L2362 HydrophobicContact CG-CG 4.47Å; L2298-T2366 HydrophobicContact CB-CG2 4.46Å; L2298-T2366 HydrophobicContact CD1-CG2 4.39Å; L2298-T2366 HydrophobicContact CD2-CG2 4.35Å; L2298-T2366 WeakPolarHBondContact CD2-OG1 3.33Å |
| 2299 | L | 87.2 | Confident | 82.2 | Confident | 14.2 Ų | 14.2 | 28.6 Ų | 28.6 | 7% | 0.074 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -85.1 | -48.5 | -174.2 | -72.7 | 174.4 | 0 | 0 | 0 | 114 | L2294 P2301 M2363 T2366 F2367 L2370 | L2294-L2299 WeakPolarHBondContact O-CB 3.46Å; L2294-L2299 PolarHBondContact O-N 3.25Å; L2299-P2301 VanDerWaalsContact C-CD 3.43Å; L2299-M2363 HydrophobicContact CD2-CB 4.31Å; L2299-M2363 HydrophobicContact CD2-CG 4.04Å; L2299-T2366 HydrophobicContact CD1-CG2 3.71Å; L2299-T2366 HydrophobicContact CD2-CG2 4.09Å; L2299-T2366 HydrophobicContact CG-CG2 3.76Å; L2299-F2367 HydrophobicContact CD1-CD1 3.91Å; L2299-F2367 HydrophobicContact CD1-CE1 3.73Å; L2299-F2367 HydrophobicContact CD1-CZ 4.23Å; L2299-F2367 HydrophobicContact CD2-CD1 4.19Å; L2299-F2367 HydrophobicContact CD2-CD2 4.13Å; L2299-F2367 HydrophobicContact CD2-CE1 3.92Å; L2299-F2367 HydrophobicContact CD2-CE2 4.02Å; L2299-F2367 HydrophobicContact CD2-CG 4.28Å; L2299-F2367 HydrophobicContact CD2-CZ 4.02Å; L2299-F2367 HydrophobicContact CG-CE1 4.43Å; L2299-L2370 HydrophobicContact CD1-CD1 3.52Å; L2299-L2370 VanDerWaalsContact CD1-CD1 3.47Å; L2299-L2370 HydrophobicContact CD1-CD2 3.69Å |
| 2300 | F | 86.3 | Confident | 82 | Confident | 22.8 Ų | 22.8 | 28 Ų | 28 | 10% | 0.1 | 14% | 0.137 | C | C | . | . | trans | -124.7 | 37.3 | -169.5 | -50.1 | -74.3 | 0 | 0 | 0 | 115.6 | V2295 E2296 A2302 S2303 K2304 F2367 L2388 L2391 I2392 I2925 | V2295-F2300 HydrophobicContact CB-CD2 4.45Å; V2295-F2300 HydrophobicContact CG1-CD2 3.81Å; V2295-F2300 HydrophobicContact CG1-CE2 4.19Å; V2295-F2300 WeakPolarHBondContact O-CA 3.23Å; V2295-F2300 WeakPolarHBondContact O-CB 3.32Å; V2295-F2300 VanDerWaalsContact O-CD2 3.26Å; V2295-F2300 WeakPolarHBondContact O-CD2 3.44Å; V2295-F2300 PolarHBondContact O-N 2.99Å; E2296-F2300 CarbonylContact O-C 3.5Å; F2300-A2302 VanDerWaalsContact C-N 3.27Å; F2300-A2302 PolarHBondContact O-N 3.01Å; F2300-S2303 WeakPolarHBondContact O-CA 3.16Å; F2300-S2303 WeakPolarHBondContact O-CB 3.36Å; F2300-S2303 PolarHBondContact O-N 3.19Å; F2300-K2304 PolarHBondContact O-N 3.16Å; F2300-K2304 VanDerWaalsContact O-N 3.07Å; F2300-F2367 AromaticContact CZ-CE1 3.97Å; F2300-F2367 HydrophobicContact CZ-CE1 4.05Å; F2300-F2367 HydrophobicContact CZ-CZ 4.29Å; F2300-L2388 HydrophobicContact CD2-CD2 4.47Å; F2300-L2388 HydrophobicContact CE2-CD2 3.67Å; F2300-L2388 HydrophobicContact CZ-CD2 3.91Å; F2300-L2391 HydrophobicContact CB-CD1 4.32Å; F2300-L2391 HydrophobicContact CD2-CD1 4.42Å; F2300-I2392 HydrophobicContact CD1-CD1 3.99Å; F2300-I2392 HydrophobicContact CD1-CG1 4.15Å; F2300-I2392 HydrophobicContact CD2-CD1 4.36Å; F2300-I2392 HydrophobicContact CE1-CD1 3.66Å; F2300-I2392 VanDerWaalsContact CE1-CD1 3.43Å; F2300-I2392 HydrophobicContact CE1-CG1 4.09Å; F2300-I2392 HydrophobicContact CE2-CD1 4.32Å; F2300-I2392 HydrophobicContact CG-CD1 4.29Å; F2300-I2392 HydrophobicContact CZ-CD1 3.76Å; F2300-I2392 HydrophobicContact CZ-CG1 4.39Å; F2300-I2925 HydrophobicContact CD1-CG1 3.65Å; F2300-I2925 HydrophobicContact CD1-CG2 4.21Å; F2300-I2925 HydrophobicContact CE1-CD1 4.19Å; F2300-I2925 HydrophobicContact CE1-CG1 3.48Å; F2300-I2925 VanDerWaalsContact CE1-CG1 3.45Å | ||
| 2301 | P | 83.6 | Confident | 81.6 | Confident | 17.4 Ų | 17.4 | 34 Ų | 34 | 11% | 0.113 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -34.3 | -178.9 | 26.5 | -35.2 | 0 | 0 | 0 | 112.9 | E2296 L2299 S2303 K2304 Q2305 L2356 | E2296-P2301 WeakPolarHBondContact O-CA 3.22Å; E2296-P2301 WeakPolarHBondContact O-CB 3.39Å; L2299-P2301 VanDerWaalsContact C-CD 3.43Å; P2301-S2303 VanDerWaalsContact C-N 3.3Å; P2301-S2303 PolarHBondContact O-N 3.32Å; P2301-K2304 WeakPolarHBondContact O-CB 3.5Å; P2301-K2304 PolarHBondContact O-N 3.1Å; P2301-Q2305 WeakPolarHBondContact O-CB 3.38Å; P2301-Q2305 WeakPolarHBondContact O-CG 3.36Å; P2301-Q2305 PolarHBondContact O-N 3.02Å; P2301-Q2305 VanDerWaalsContact O-N 3.08Å; P2301-L2356 HydrophobicContact CB-CD2 4.01Å; P2301-L2356 HydrophobicContact CG-CD2 4.29Å |
| 2302 | A | 79 | Confident | 80.9 | Confident | 30.6 Ų | 30.6 | 36.7 Ų | 36.7 | 25% | 0.253 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F2300 K2304 Q2305 Y2306 L2356 I2918 L2921 | F2300-A2302 VanDerWaalsContact C-N 3.27Å; F2300-A2302 PolarHBondContact O-N 3.01Å; A2302-K2304 VanDerWaalsContact C-N 3.34Å; A2302-Q2305 PolarHBondContact O-N 3.28Å; A2302-Y2306 VanDerWaalsContact O-CB 3.3Å; A2302-Y2306 WeakPolarHBondContact O-CB 3.4Å; A2302-Y2306 PolarHBondContact O-N 3.08Å; A2302-Y2306 VanDerWaalsContact O-N 3.08Å; A2302-L2356 HydrophobicContact CB-CD2 4.18Å; A2302-I2918 WeakPolarHBondContact O-CG2 3.34Å; A2302-L2921 HydrophobicContact CB-CB 3.52Å; A2302-L2921 HydrophobicContact CB-CD1 4.33Å |
| 2303 | S | 82.9 | Confident | 79.8 | Confident | 12.2 Ų | 12.2 | 37.5 Ų | 37.5 | 9% | 0.085 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.9 | -35.4 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | F2300 P2301 Y2306 N2307 L2391 H2922 | F2300-S2303 WeakPolarHBondContact O-CA 3.16Å; F2300-S2303 WeakPolarHBondContact O-CB 3.36Å; F2300-S2303 PolarHBondContact O-N 3.19Å; P2301-S2303 VanDerWaalsContact C-N 3.3Å; P2301-S2303 PolarHBondContact O-N 3.32Å; S2303-Y2306 PolarHBondContact O-N 3.25Å; S2303-N2307 WeakPolarHBondContact O-CB 3.42Å; S2303-N2307 VanDerWaalsContact O-CG 3.25Å; S2303-N2307 PolarHBondContact O-N 3.1Å; S2303-N2307 PolarHBondContact O-ND2 2.94Å; S2303-L2391 WeakPolarHBondContact CB-O 3.32Å; S2303-H2922 WeakPolarHBondContact CB-ND1 3.44Å; S2303-H2922 PolarHBondContact OG-ND1 2.91Å |
| 2304 | K | 82.6 | Confident | 78.6 | Confident | 53.4 Ų | 53.4 | 40.1 Ų | 40.1 | 23% | 0.232 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -54.7 | 171.1 | 177.2 | 178.2 | 177.7 | 161.7 | 0 | 110.6 | E2296 L2297 F2300 P2301 A2302 Y2306 N2307 E2308 L2391 | E2296-K2304 HydrophobicContact CB-CB 4.5Å; E2296-K2304 HydrophobicContact CB-CD 4Å; E2296-K2304 HydrophobicContact CB-CG 4.31Å; E2296-K2304 HydrophobicContact CG-CB 4.26Å; E2296-K2304 HydrophobicContact CG-CD 4.03Å; E2296-K2304 HydrophobicContact CG-CG 4Å; E2296-K2304 WeakPolarHBondContact OE2-CE 3.41Å; E2296-K2304 IonicContact OE2-NZ 3.45Å; E2296-K2304 PolarHBondContact OE2-NZ 2.99Å; L2297-K2304 HydrophobicContact CD2-CD 4.32Å; F2300-K2304 PolarHBondContact O-N 3.16Å; F2300-K2304 VanDerWaalsContact O-N 3.07Å; P2301-K2304 WeakPolarHBondContact O-CB 3.5Å; P2301-K2304 PolarHBondContact O-N 3.1Å; A2302-K2304 VanDerWaalsContact C-N 3.34Å; K2304-Y2306 VanDerWaalsContact C-N 3.33Å; K2304-Y2306 PolarHBondContact O-N 3.04Å; K2304-N2307 CarbonylContact O-C 3.6Å; K2304-N2307 WeakPolarHBondContact O-CA 3.49Å; K2304-N2307 WeakPolarHBondContact O-CB 3.34Å; K2304-N2307 PolarHBondContact O-N 3.03Å; K2304-E2308 WeakPolarHBondContact CE-OE1 3.39Å; K2304-E2308 HydrophobicContact CG-CG 4.46Å; K2304-E2308 VanDerWaalsContact CG-OE1 3.27Å; K2304-E2308 WeakPolarHBondContact CG-OE1 3.34Å; K2304-E2308 WeakPolarHBondContact O-CG 3.36Å; K2304-E2308 PolarHBondContact O-N 3.04Å; K2304-L2391 HydrophobicContact CB-CD2 4Å |
| 2305 | Q | 78.7 | Confident | 76.6 | Confident | 59.4 Ų | 59.4 | 45.8 Ų | 45.8 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 178.9 | -106.9 | -176.4 | 4.1 | 0 | 0 | 112.6 | P2301 A2302 N2307 E2308 I2309 F2353 L2356 I2918 | P2301-Q2305 WeakPolarHBondContact O-CB 3.38Å; P2301-Q2305 WeakPolarHBondContact O-CG 3.36Å; P2301-Q2305 PolarHBondContact O-N 3.02Å; P2301-Q2305 VanDerWaalsContact O-N 3.08Å; A2302-Q2305 PolarHBondContact O-N 3.28Å; Q2305-N2307 VanDerWaalsContact C-N 3.33Å; Q2305-N2307 PolarHBondContact O-N 3.15Å; Q2305-E2308 WeakPolarHBondContact CA-OE2 3.38Å; Q2305-E2308 PolarHBondContact O-N 3.06Å; Q2305-I2309 HydrophobicContact CG-CD1 4.1Å; Q2305-I2309 WeakPolarHBondContact O-CB 3.15Å; Q2305-I2309 VanDerWaalsContact O-CG1 3.29Å; Q2305-I2309 WeakPolarHBondContact O-CG1 3.41Å; Q2305-I2309 PolarHBondContact O-N 3.15Å; Q2305-F2353 VanDerWaalsContact OE1-CE1 3.28Å; Q2305-L2356 HydrophobicContact CG-CD2 4.43Å; Q2305-I2918 HydrophobicContact CB-CD1 4.25Å; Q2305-I2918 HydrophobicContact CB-CG2 4.09Å |
| 2306 | Y | 79.2 | Confident | 74.9 | Confident | 40.2 Ų | 40.2 | 48.1 Ų | 48.1 | 16% | 0.158 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 174.7 | 179.7 | -98 | 0 | 0 | 0 | 111.8 | A2302 S2303 K2304 R2310 T2395 A2397 W2915 I2918 E2919 H2922 | A2302-Y2306 VanDerWaalsContact O-CB 3.3Å; A2302-Y2306 WeakPolarHBondContact O-CB 3.4Å; A2302-Y2306 PolarHBondContact O-N 3.08Å; A2302-Y2306 VanDerWaalsContact O-N 3.08Å; S2303-Y2306 PolarHBondContact O-N 3.25Å; K2304-Y2306 VanDerWaalsContact C-N 3.33Å; K2304-Y2306 PolarHBondContact O-N 3.04Å; Y2306-R2310 VanDerWaalsContact O-CB 3.24Å; Y2306-R2310 WeakPolarHBondContact O-CB 3.43Å; Y2306-R2310 PolarHBondContact O-N 3.16Å; Y2306-R2310 PolarHBondContact OH-NH1 3.04Å; Y2306-R2310 VanDerWaalsContact OH-NH1 3.17Å; Y2306-T2395 HydrophobicContact CE1-CG2 4.29Å; Y2306-A2397 HydrophobicContact CE1-CB 4.31Å; Y2306-W2915 AromaticContact CD2-CH2 3.5Å; Y2306-W2915 HydrophobicContact CD2-CH2 3.5Å; Y2306-W2915 VanDerWaalsContact CD2-CH2 3.48Å; Y2306-W2915 HydrophobicContact CD2-CZ2 4.24Å; Y2306-W2915 AromaticContact CD2-CZ3 3.84Å; Y2306-W2915 HydrophobicContact CD2-CZ3 3.84Å; Y2306-W2915 AromaticContact CE2-CH2 3.43Å; Y2306-W2915 HydrophobicContact CE2-CH2 3.43Å; Y2306-W2915 VanDerWaalsContact CE2-CH2 3.43Å; Y2306-W2915 AromaticContact CE2-CZ2 3.82Å; Y2306-W2915 HydrophobicContact CE2-CZ2 3.82Å; Y2306-W2915 HydrophobicContact CE2-CZ3 4.24Å; Y2306-W2915 HydrophobicContact CG-CH2 4.41Å; Y2306-I2918 HydrophobicContact CD2-CG2 4.46Å; Y2306-E2919 HydrophobicContact CD2-CB 4.2Å; Y2306-E2919 HydrophobicContact CE2-CB 4.07Å; Y2306-E2919 HydrophobicContact CE2-CG 3.96Å; Y2306-H2922 AromaticContact CD1-CD2 3.57Å; Y2306-H2922 AromaticContact CD1-CE1 3.97Å; Y2306-H2922 AromaticContact CD1-CG 3.92Å; Y2306-H2922 AromaticContact CD1-NE2 3.63Å; Y2306-H2922 HydrophobicContact CD2-CB 4.45Å; Y2306-H2922 AromaticContact CE1-CD2 3.71Å; Y2306-H2922 AromaticContact CE1-NE2 3.67Å; Y2306-H2922 HydrophobicContact CG-CB 4.21Å; Y2306-H2922 AromaticContact CG-CD2 3.83Å; Y2306-H2922 AromaticContact CG-CG 3.93Å |
| 2307 | N | 76.7 | Confident | 73.1 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 177.5 | -91.8 | -8.1 | 0 | 0 | 0 | 112.6 | S2303 K2304 Q2305 R2310 R2311 D2390 L2391 T2395 | S2303-N2307 WeakPolarHBondContact O-CB 3.42Å; S2303-N2307 VanDerWaalsContact O-CG 3.25Å; S2303-N2307 PolarHBondContact O-N 3.1Å; S2303-N2307 PolarHBondContact O-ND2 2.94Å; K2304-N2307 CarbonylContact O-C 3.6Å; K2304-N2307 WeakPolarHBondContact O-CA 3.49Å; K2304-N2307 WeakPolarHBondContact O-CB 3.34Å; K2304-N2307 PolarHBondContact O-N 3.03Å; Q2305-N2307 VanDerWaalsContact C-N 3.33Å; Q2305-N2307 PolarHBondContact O-N 3.15Å; N2307-R2310 PolarHBondContact O-N 2.96Å; N2307-R2311 PolarHBondContact ND2-NH2 2.8Å; N2307-R2311 VanDerWaalsContact O-CB 3.31Å; N2307-R2311 WeakPolarHBondContact O-CB 3.33Å; N2307-R2311 WeakPolarHBondContact O-CD 3.27Å; N2307-R2311 VanDerWaalsContact O-CG 3.26Å; N2307-R2311 WeakPolarHBondContact O-CG 3.31Å; N2307-R2311 PolarHBondContact O-N 3.15Å; N2307-R2311 PolarHBondContact OD1-NE 3.1Å; N2307-R2311 VanDerWaalsContact OD1-NE 3.12Å; N2307-D2390 PolarHBondContact ND2-O 3.33Å; N2307-L2391 WeakPolarHBondContact ND2-CA 3.47Å; N2307-L2391 PolarHBondContact ND2-O 2.98Å; N2307-T2395 VanDerWaalsContact OD1-CG2 3.25Å; N2307-T2395 WeakPolarHBondContact OD1-CG2 3.45Å; N2307-T2395 PolarHBondContact OD1-OG1 2.95Å |
| 2308 | E | 78.5 | Confident | 71.4 | Confident | 91 Ų | 91 | 53.6 Ų | 53.6 | 43% | 0.425 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -50 | 175.2 | -73 | 166.9 | 172.7 | 0 | 0 | 111.6 | K2304 Q2305 R2310 R2311 S2312 | K2304-E2308 WeakPolarHBondContact CE-OE1 3.39Å; K2304-E2308 HydrophobicContact CG-CG 4.46Å; K2304-E2308 VanDerWaalsContact CG-OE1 3.27Å; K2304-E2308 WeakPolarHBondContact CG-OE1 3.34Å; K2304-E2308 WeakPolarHBondContact O-CG 3.36Å; K2304-E2308 PolarHBondContact O-N 3.04Å; Q2305-E2308 WeakPolarHBondContact CA-OE2 3.38Å; Q2305-E2308 PolarHBondContact O-N 3.06Å; E2308-R2310 VanDerWaalsContact C-N 3.27Å; E2308-R2310 PolarHBondContact O-N 3.28Å; E2308-R2311 PolarHBondContact O-N 3.12Å; E2308-R2311 VanDerWaalsContact O-N 3.14Å; E2308-S2312 PolarHBondContact O-N 3.23Å |
| 2309 | I | 75.1 | Confident | 69.5 | Low | 56.4 Ų | 56.4 | 57.9 Ų | 57.9 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 176.1 | -66.1 | 165.2 | 0 | 0 | 0 | 110.2 | Q2305 R2311 S2312 T2313 Y2315 F2350 W2915 I2918 | Q2305-I2309 HydrophobicContact CG-CD1 4.1Å; Q2305-I2309 WeakPolarHBondContact O-CB 3.15Å; Q2305-I2309 VanDerWaalsContact O-CG1 3.29Å; Q2305-I2309 WeakPolarHBondContact O-CG1 3.41Å; Q2305-I2309 PolarHBondContact O-N 3.15Å; I2309-R2311 VanDerWaalsContact C-N 3.32Å; I2309-R2311 PolarHBondContact O-N 3.21Å; I2309-S2312 WeakPolarHBondContact O-CA 3.48Å; I2309-S2312 WeakPolarHBondContact O-CB 3.35Å; I2309-S2312 PolarHBondContact O-N 3Å; I2309-S2312 PolarHBondContact O-OG 3.1Å; I2309-T2313 WeakPolarHBondContact O-CB 3.33Å; I2309-T2313 PolarHBondContact O-N 3.12Å; I2309-T2313 PolarHBondContact O-OG1 3.18Å; I2309-Y2315 HydrophobicContact CG2-CD2 4.18Å; I2309-Y2315 HydrophobicContact CG2-CE2 4.34Å; I2309-F2350 HydrophobicContact CD1-CE1 4.03Å; I2309-F2350 HydrophobicContact CD1-CZ 4Å; I2309-F2350 HydrophobicContact CG1-CE1 4.09Å; I2309-F2350 HydrophobicContact CG1-CZ 4.29Å; I2309-W2915 HydrophobicContact CB-CE3 4.19Å; I2309-W2915 HydrophobicContact CB-CZ3 3.72Å; I2309-W2915 HydrophobicContact CD1-CE3 3.88Å; I2309-W2915 HydrophobicContact CD1-CZ3 4.07Å; I2309-W2915 HydrophobicContact CG1-CZ3 4.47Å; I2309-W2915 HydrophobicContact CG2-CE3 3.66Å; I2309-W2915 HydrophobicContact CG2-CH2 4.27Å; I2309-W2915 HydrophobicContact CG2-CZ3 3.47Å; I2309-W2915 VanDerWaalsContact CG2-CZ3 3.47Å; I2309-I2918 HydrophobicContact CD1-CD1 3.74Å |
| 2310 | R | 69.9 | Low | 67.3 | Low | 59.2 Ų | 59.2 | 61.9 Ų | 61.9 | 22% | 0.223 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 179.3 | -176 | 170.4 | 171.1 | -167.6 | -9.7 | 112.9 | Y2306 N2307 E2308 T2313 I2314 Y2315 S2394 T2395 N2396 | Y2306-R2310 VanDerWaalsContact O-CB 3.24Å; Y2306-R2310 WeakPolarHBondContact O-CB 3.43Å; Y2306-R2310 PolarHBondContact O-N 3.16Å; Y2306-R2310 PolarHBondContact OH-NH1 3.04Å; Y2306-R2310 VanDerWaalsContact OH-NH1 3.17Å; N2307-R2310 PolarHBondContact O-N 2.96Å; E2308-R2310 VanDerWaalsContact C-N 3.27Å; E2308-R2310 PolarHBondContact O-N 3.28Å; R2310-T2313 PolarHBondContact O-N 2.88Å; R2310-I2314 HydrophobicContact CG-CD1 4.08Å; R2310-I2314 WeakPolarHBondContact O-CD1 3.26Å; R2310-I2314 VanDerWaalsContact O-CG1 3.29Å; R2310-I2314 WeakPolarHBondContact O-CG1 3.35Å; R2310-I2314 PolarHBondContact O-N 3.22Å; R2310-I2314 VanDerWaalsContact O-N 3.11Å; R2310-Y2315 HydrophobicContact CB-CD2 4.42Å; R2310-S2394 VanDerWaalsContact CZ-O 3.23Å; R2310-S2394 PolarHBondContact NH1-O 2.86Å; R2310-S2394 PolarHBondContact NH1-OG 3.35Å; R2310-S2394 PolarHBondContact NH2-O 3.1Å; R2310-T2395 PolarHBondContact NH1-O 3.13Å; R2310-T2395 PolarHBondContact NH2-O 3.28Å; R2310-N2396 PolarHBondContact NH1-OD1 3.27Å |
| 2311 | R | 70 | Confident | 65.1 | Low | 130.2 Ų | 130.2 | 66.9 Ų | 66.9 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 172.4 | -76.1 | 169 | -176 | 171.4 | 0.5 | 111.3 | N2307 E2308 I2309 T2313 I2314 Y2315 D2390 | N2307-R2311 PolarHBondContact ND2-NH2 2.8Å; N2307-R2311 VanDerWaalsContact O-CB 3.31Å; N2307-R2311 WeakPolarHBondContact O-CB 3.33Å; N2307-R2311 WeakPolarHBondContact O-CD 3.27Å; N2307-R2311 VanDerWaalsContact O-CG 3.26Å; N2307-R2311 WeakPolarHBondContact O-CG 3.31Å; N2307-R2311 PolarHBondContact O-N 3.15Å; N2307-R2311 PolarHBondContact OD1-NE 3.1Å; N2307-R2311 VanDerWaalsContact OD1-NE 3.12Å; E2308-R2311 PolarHBondContact O-N 3.12Å; E2308-R2311 VanDerWaalsContact O-N 3.14Å; I2309-R2311 VanDerWaalsContact C-N 3.32Å; I2309-R2311 PolarHBondContact O-N 3.21Å; R2311-T2313 VanDerWaalsContact C-N 3.33Å; R2311-T2313 PolarHBondContact O-N 3.13Å; R2311-I2314 PolarHBondContact O-N 3.24Å; R2311-Y2315 HydrophobicContact CB-CD2 4.44Å; R2311-Y2315 HydrophobicContact CB-CE2 4.33Å; R2311-Y2315 VanDerWaalsContact O-CD2 3.23Å; R2311-Y2315 WeakPolarHBondContact O-CD2 3.39Å; R2311-Y2315 PolarHBondContact O-N 3.19Å; R2311-D2390 IonicContact CZ-OD2 2.69Å; R2311-D2390 IonicContact NH2-OD2 3.9Å; R2311-D2390 PolarHBondContact NH2-OD2 3.1Å |
| 2312 | S | 69.2 | Low | 63 | Low | 57.6 Ų | 57.6 | 72.2 Ų | 72.2 | 40% | 0.403 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 178 | 76.8 | 0 | 0 | 0 | 0 | 112.5 | E2308 I2309 I2314 Y2315 S2316 | E2308-S2312 PolarHBondContact O-N 3.23Å; I2309-S2312 WeakPolarHBondContact O-CA 3.48Å; I2309-S2312 WeakPolarHBondContact O-CB 3.35Å; I2309-S2312 PolarHBondContact O-N 3Å; I2309-S2312 PolarHBondContact O-OG 3.1Å; S2312-I2314 PolarHBondContact O-N 2.76Å; S2312-Y2315 PolarHBondContact O-N 3.13Å; S2312-S2316 PolarHBondContact O-N 2.99Å; S2312-S2316 VanDerWaalsContact O-N 3.1Å; S2312-S2316 PolarHBondContact O-OG 3.02Å |
| 2313 | T | 61.8 | Low | 61 | Low | 54 Ų | 54 | 76.7 Ų | 76.7 | 33% | 0.331 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 175.1 | -42.8 | 0 | 0 | 0 | 0 | 112 | I2309 R2310 R2311 Y2315 S2316 Q2317 Y2342 L2419 | I2309-T2313 WeakPolarHBondContact O-CB 3.33Å; I2309-T2313 PolarHBondContact O-N 3.12Å; I2309-T2313 PolarHBondContact O-OG1 3.18Å; R2310-T2313 PolarHBondContact O-N 2.88Å; R2311-T2313 VanDerWaalsContact C-N 3.33Å; R2311-T2313 PolarHBondContact O-N 3.13Å; T2313-Y2315 PolarHBondContact O-N 3.28Å; T2313-S2316 PolarHBondContact O-N 2.97Å; T2313-S2316 PolarHBondContact O-OG 3.04Å; T2313-S2316 VanDerWaalsContact O-OG 3.06Å; T2313-Q2317 VanDerWaalsContact O-CG 3.31Å; T2313-Q2317 WeakPolarHBondContact O-CG 3.43Å; T2313-Q2317 PolarHBondContact O-N 2.94Å; T2313-Q2317 VanDerWaalsContact O-N 3.08Å; T2313-Y2342 HydrophobicContact CG2-CE1 4.04Å; T2313-L2419 HydrophobicContact CG2-CD2 3.48Å; T2313-L2419 VanDerWaalsContact CG2-CD2 3.48Å; T2313-L2419 HydrophobicContact CG2-CG 4.01Å |
| 2314 | I | 59.2 | Low | 58.9 | Low | 71.6 Ų | 71.6 | 81 Ų | 81 | 37% | 0.367 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 177.3 | -67.3 | 166.5 | 0 | 0 | 0 | 111.1 | R2310 R2311 S2312 S2316 Q2317 I2318 F2350 | R2310-I2314 HydrophobicContact CG-CD1 4.08Å; R2310-I2314 WeakPolarHBondContact O-CD1 3.26Å; R2310-I2314 VanDerWaalsContact O-CG1 3.29Å; R2310-I2314 WeakPolarHBondContact O-CG1 3.35Å; R2310-I2314 PolarHBondContact O-N 3.22Å; R2310-I2314 VanDerWaalsContact O-N 3.11Å; R2311-I2314 PolarHBondContact O-N 3.24Å; S2312-I2314 PolarHBondContact O-N 2.76Å; I2314-S2316 VanDerWaalsContact C-N 3.3Å; I2314-S2316 PolarHBondContact O-N 3.27Å; I2314-Q2317 PolarHBondContact O-N 3.12Å; I2314-I2318 HydrophobicContact CG2-CD1 3.62Å; I2314-I2318 HydrophobicContact CG2-CG1 4.25Å; I2314-I2318 VanDerWaalsContact O-CG1 3.31Å; I2314-I2318 WeakPolarHBondContact O-CG1 3.36Å; I2314-I2318 PolarHBondContact O-N 2.81Å; I2314-F2350 HydrophobicContact CD1-CE2 4.25Å |
| 2315 | Y | 47.7 | Very low | 56.7 | Low | 121.2 Ų | 121.2 | 83.9 Ų | 83.9 | 48% | 0.475 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 177.2 | -90.4 | -64.5 | 0 | 0 | 0 | 112.9 | P2244 V2248 I2309 R2310 R2311 S2312 T2313 Q2317 I2318 N2319 | P2244-Y2315 PolarHBondContact O-OH 2.91Å; V2248-Y2315 HydrophobicContact CG2-CE1 4.17Å; I2309-Y2315 HydrophobicContact CG2-CD2 4.18Å; I2309-Y2315 HydrophobicContact CG2-CE2 4.34Å; R2310-Y2315 HydrophobicContact CB-CD2 4.42Å; R2311-Y2315 HydrophobicContact CB-CD2 4.44Å; R2311-Y2315 HydrophobicContact CB-CE2 4.33Å; R2311-Y2315 VanDerWaalsContact O-CD2 3.23Å; R2311-Y2315 WeakPolarHBondContact O-CD2 3.39Å; R2311-Y2315 PolarHBondContact O-N 3.19Å; S2312-Y2315 PolarHBondContact O-N 3.13Å; T2313-Y2315 PolarHBondContact O-N 3.28Å; Y2315-Q2317 VanDerWaalsContact C-N 3.35Å; Y2315-Q2317 PolarHBondContact O-N 3.4Å; Y2315-I2318 PolarHBondContact O-N 3.13Å; Y2315-N2319 WeakPolarHBondContact O-CB 3.34Å; Y2315-N2319 VanDerWaalsContact O-CG 3.29Å; Y2315-N2319 PolarHBondContact O-N 3Å |
| 2316 | S | 52.3 | Low | 54.4 | Low | 48.8 Ų | 48.8 | 87.5 Ų | 87.5 | 34% | 0.341 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.2 | -35.6 | 174.9 | 69.5 | 0 | 0 | 0 | 0 | 112.6 | S2312 T2313 I2314 N2320 Y2342 | S2312-S2316 PolarHBondContact O-N 2.99Å; S2312-S2316 VanDerWaalsContact O-N 3.1Å; S2312-S2316 PolarHBondContact O-OG 3.02Å; T2313-S2316 PolarHBondContact O-N 2.97Å; T2313-S2316 PolarHBondContact O-OG 3.04Å; T2313-S2316 VanDerWaalsContact O-OG 3.06Å; I2314-S2316 VanDerWaalsContact C-N 3.3Å; I2314-S2316 PolarHBondContact O-N 3.27Å; S2316-N2320 VanDerWaalsContact O-CB 3.3Å; S2316-N2320 WeakPolarHBondContact O-CB 3.39Å; S2316-N2320 VanDerWaalsContact O-CG 3.24Å; S2316-N2320 PolarHBondContact O-N 2.96Å; S2316-N2320 VanDerWaalsContact O-N 3.16Å; S2316-N2320 PolarHBondContact O-ND2 3.14Å; S2316-N2320 VanDerWaalsContact O-ND2 3.14Å; S2316-Y2342 WeakPolarHBondContact CB-OH 3.47Å; S2316-Y2342 PolarHBondContact OG-OH 3.31Å; S2316-Y2342 VanDerWaalsContact OG-OH 3.08Å |
| 2317 | Q | 46.9 | Very low | 52 | Low | 92.8 Ų | 92.8 | 90.3 Ų | 90.3 | 43% | 0.434 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70.4 | -42.4 | 176.4 | -71.2 | 174.3 | -13.3 | 0 | 0 | 112.2 | T2313 I2314 Y2315 N2320 H2321 L2418 | T2313-Q2317 VanDerWaalsContact O-CG 3.31Å; T2313-Q2317 WeakPolarHBondContact O-CG 3.43Å; T2313-Q2317 PolarHBondContact O-N 2.94Å; T2313-Q2317 VanDerWaalsContact O-N 3.08Å; I2314-Q2317 PolarHBondContact O-N 3.12Å; Y2315-Q2317 VanDerWaalsContact C-N 3.35Å; Y2315-Q2317 PolarHBondContact O-N 3.4Å; Q2317-N2320 PolarHBondContact O-N 3.37Å; Q2317-H2321 PolarHBondContact O-N 3.11Å; Q2317-H2321 VanDerWaalsContact O-N 3.14Å; Q2317-H2321 PolarHBondContact O-ND1 2.81Å; Q2317-L2418 PolarHBondContact NE2-O 2.87Å |
| 2318 | I | 48.2 | Very low | 49.8 | Very low | 82.4 Ų | 82.4 | 97.3 Ų | 97.3 | 42% | 0.423 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 178.5 | -68.7 | 172.1 | 0 | 0 | 0 | 111.4 | I2314 Y2315 N2320 H2321 H2322 | I2314-I2318 HydrophobicContact CG2-CD1 3.62Å; I2314-I2318 HydrophobicContact CG2-CG1 4.25Å; I2314-I2318 VanDerWaalsContact O-CG1 3.31Å; I2314-I2318 WeakPolarHBondContact O-CG1 3.36Å; I2314-I2318 PolarHBondContact O-N 2.81Å; Y2315-I2318 PolarHBondContact O-N 3.13Å; I2318-N2320 VanDerWaalsContact C-N 3.33Å; I2318-N2320 PolarHBondContact O-N 3.17Å; I2318-H2321 PolarHBondContact O-N 3.07Å; I2318-H2321 VanDerWaalsContact O-N 3.1Å; I2318-H2322 PolarHBondContact O-N 3.04Å |
| 2319 | N | 44 | Very low | 47.4 | Very low | 91.8 Ų | 91.8 | 102.5 Ų | 102.5 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 178.1 | -76.7 | -5.2 | 0 | 0 | 0 | 111.9 | Y2315 H2321 H2322 N2323 | Y2315-N2319 WeakPolarHBondContact O-CB 3.34Å; Y2315-N2319 VanDerWaalsContact O-CG 3.29Å; Y2315-N2319 PolarHBondContact O-N 3Å; N2319-H2321 VanDerWaalsContact C-N 3.32Å; N2319-H2321 PolarHBondContact O-N 3.31Å; N2319-H2322 PolarHBondContact O-N 2.99Å; N2319-N2323 WeakPolarHBondContact O-CB 3.3Å; N2319-N2323 PolarHBondContact O-N 2.84Å; N2319-N2323 VanDerWaalsContact O-N 3.11Å; N2319-N2323 PolarHBondContact O-ND2 3.25Å |
| 2320 | N | 42.4 | Very low | 45.2 | Very low | 98.8 Ų | 98.8 | 106.8 Ų | 106.8 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 173.6 | -73.9 | -9.6 | 0 | 0 | 0 | 112 | S2316 Q2317 I2318 H2322 N2323 I2324 | S2316-N2320 VanDerWaalsContact O-CB 3.3Å; S2316-N2320 WeakPolarHBondContact O-CB 3.39Å; S2316-N2320 VanDerWaalsContact O-CG 3.24Å; S2316-N2320 PolarHBondContact O-N 2.96Å; S2316-N2320 VanDerWaalsContact O-N 3.16Å; S2316-N2320 PolarHBondContact O-ND2 3.14Å; S2316-N2320 VanDerWaalsContact O-ND2 3.14Å; Q2317-N2320 PolarHBondContact O-N 3.37Å; I2318-N2320 VanDerWaalsContact C-N 3.33Å; I2318-N2320 PolarHBondContact O-N 3.17Å; N2320-H2322 PolarHBondContact O-N 2.9Å; N2320-N2323 CarbonylContact O-C 3.56Å; N2320-N2323 PolarHBondContact O-N 2.85Å; N2320-I2324 HydrophobicContact CB-CD1 4.11Å; N2320-I2324 WeakPolarHBondContact O-CB 3.47Å; N2320-I2324 VanDerWaalsContact O-CD1 3.28Å; N2320-I2324 WeakPolarHBondContact O-CD1 3.36Å; N2320-I2324 VanDerWaalsContact O-CG1 3.23Å; N2320-I2324 WeakPolarHBondContact O-CG1 3.32Å; N2320-I2324 PolarHBondContact O-N 3.33Å; N2320-I2324 VanDerWaalsContact O-N 3.13Å |
| 2321 | H | 40.2 | Very low | 43.2 | Very low | 127.4 Ų | 127.4 | 111.5 Ų | 111.5 | 59% | 0.59 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.2 | -39.5 | 173.9 | -92.7 | 38.1 | 0 | 0 | 0 | 113.2 | Q2317 I2318 N2319 N2323 I2324 I2325 M2494 | Q2317-H2321 PolarHBondContact O-N 3.11Å; Q2317-H2321 VanDerWaalsContact O-N 3.14Å; Q2317-H2321 PolarHBondContact O-ND1 2.81Å; I2318-H2321 PolarHBondContact O-N 3.07Å; I2318-H2321 VanDerWaalsContact O-N 3.1Å; N2319-H2321 VanDerWaalsContact C-N 3.32Å; N2319-H2321 PolarHBondContact O-N 3.31Å; H2321-N2323 VanDerWaalsContact C-N 3.29Å; H2321-N2323 PolarHBondContact O-N 3.03Å; H2321-I2324 PolarHBondContact O-N 2.88Å; H2321-I2324 VanDerWaalsContact O-N 3.12Å; H2321-I2325 WeakPolarHBondContact O-CD1 3.45Å; H2321-I2325 VanDerWaalsContact O-CG1 3.29Å; H2321-I2325 WeakPolarHBondContact O-CG1 3.43Å; H2321-I2325 PolarHBondContact O-N 3.13Å; H2321-M2494 WeakPolarHBondContact NE2-CE 3.29Å |
| 2322 | H | 38.8 | Very low | 41.3 | Very low | 128.8 Ų | 128.8 | 112 Ų | 112 | 60% | 0.596 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.7 | -29.2 | 178.3 | -92.1 | -54.1 | 0 | 0 | 0 | 114 | I2318 N2319 N2320 I2324 | I2318-H2322 PolarHBondContact O-N 3.04Å; N2319-H2322 PolarHBondContact O-N 2.99Å; N2320-H2322 PolarHBondContact O-N 2.9Å; H2322-I2324 VanDerWaalsContact C-N 3.35Å; H2322-I2324 PolarHBondContact O-N 3.33Å |
| 2323 | N | 37.5 | Very low | 39.4 | Very low | 124.6 Ų | 124.6 | 116 Ų | 116 | 67% | 0.666 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -79.9 | -12.4 | 174.4 | -72.9 | -17.6 | 0 | 0 | 0 | 113.8 | N2319 N2320 H2321 I2325 N2326 C2327 | N2319-N2323 WeakPolarHBondContact O-CB 3.3Å; N2319-N2323 PolarHBondContact O-N 2.84Å; N2319-N2323 VanDerWaalsContact O-N 3.11Å; N2319-N2323 PolarHBondContact O-ND2 3.25Å; N2320-N2323 CarbonylContact O-C 3.56Å; N2320-N2323 PolarHBondContact O-N 2.85Å; H2321-N2323 VanDerWaalsContact C-N 3.29Å; H2321-N2323 PolarHBondContact O-N 3.03Å; N2323-I2325 PolarHBondContact O-N 2.96Å; N2323-I2325 VanDerWaalsContact O-N 3.13Å; N2323-N2326 CarbonylContact O-C 3.58Å; N2323-N2326 WeakPolarHBondContact O-CA 3.44Å; N2323-N2326 PolarHBondContact O-N 3.23Å; N2323-C2327 PolarHBondContact O-N 2.87Å; N2323-C2327 PolarHBondContact O-SG 3.34Å |
| 2324 | I | 37.6 | Very low | 37.8 | Very low | 102.8 Ų | 102.8 | 119.6 Ų | 119.6 | 53% | 0.527 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -90.1 | -15.9 | -179.7 | -71.8 | 170.3 | 0 | 0 | 0 | 112.6 | N2320 H2321 H2322 N2326 C2327 K2497 | N2320-I2324 HydrophobicContact CB-CD1 4.11Å; N2320-I2324 WeakPolarHBondContact O-CB 3.47Å; N2320-I2324 VanDerWaalsContact O-CD1 3.28Å; N2320-I2324 WeakPolarHBondContact O-CD1 3.36Å; N2320-I2324 VanDerWaalsContact O-CG1 3.23Å; N2320-I2324 WeakPolarHBondContact O-CG1 3.32Å; N2320-I2324 PolarHBondContact O-N 3.33Å; N2320-I2324 VanDerWaalsContact O-N 3.13Å; H2321-I2324 PolarHBondContact O-N 2.88Å; H2321-I2324 VanDerWaalsContact O-N 3.12Å; H2322-I2324 VanDerWaalsContact C-N 3.35Å; H2322-I2324 PolarHBondContact O-N 3.33Å; I2324-N2326 PolarHBondContact O-N 3.19Å; I2324-C2327 PolarHBondContact O-N 2.8Å; I2324-K2497 HydrophobicContact CG2-CD 3.86Å; I2324-K2497 PolarHBondContact O-NZ 3.34Å |
| 2325 | I | 36.7 | Very low | 36.3 | Very low | 113.8 Ų | 113.8 | 123.2 Ų | 123.2 | 58% | 0.584 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -2.3 | -176.7 | -64.6 | 170.4 | 0 | 0 | 0 | 113.4 | H2321 N2323 | H2321-I2325 WeakPolarHBondContact O-CD1 3.45Å; H2321-I2325 VanDerWaalsContact O-CG1 3.29Å; H2321-I2325 WeakPolarHBondContact O-CG1 3.43Å; H2321-I2325 PolarHBondContact O-N 3.13Å; N2323-I2325 PolarHBondContact O-N 2.96Å; N2323-I2325 VanDerWaalsContact O-N 3.13Å |
| 2326 | N | 31.4 | Very low | 35.4 | Very low | 135.8 Ų | 135.8 | 124.5 Ų | 124.5 | 73% | 0.726 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 35.5 | 178.1 | -98.5 | -11.8 | 0 | 0 | 0 | 113.5 | N2323 I2324 E2590 R2593 | N2323-N2326 CarbonylContact O-C 3.58Å; N2323-N2326 WeakPolarHBondContact O-CA 3.44Å; N2323-N2326 PolarHBondContact O-N 3.23Å; I2324-N2326 PolarHBondContact O-N 3.19Å; N2326-E2590 PolarHBondContact ND2-OE2 3.18Å; N2326-R2593 PolarHBondContact OD1-NE 3.4Å; N2326-R2593 PolarHBondContact OD1-NH2 2.73Å |
| 2327 | C | 28.7 | Very low | 34.4 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 67% | 0.669 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -124.5 | 112.2 | 176 | -68.7 | 0 | 0 | 0 | 0 | 110.6 | N2323 I2324 Y2329 | N2323-C2327 PolarHBondContact O-N 2.87Å; N2323-C2327 PolarHBondContact O-SG 3.34Å; I2324-C2327 PolarHBondContact O-N 2.8Å; C2327-Y2329 PolarHBondContact O-N 3.35Å |
| 2328 | D | 30 | Very low | 33.5 | Very low | 155.8 Ų | 155.8 | 128.9 Ų | 128.9 | 83% | 0.833 | 67% | 0.665 | S | S | * | * | trans | -72.7 | 135.7 | -180 | -84 | -54.7 | 0 | 0 | 0 | 113.3 | N2330 | D2328-N2330 PolarHBondContact O-N 3.09Š| ||
| 2329 | Y | 27.6 | Very low | 32.8 | Very low | 200 Ų | 200 | 132.2 Ų | 132.2 | 78% | 0.784 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -34.6 | 120.6 | 168.7 | -102.2 | -100.3 | 0 | 0 | 0 | 115.6 | C2327 | C2327-Y2329 PolarHBondContact O-N 3.35Š|
| 2330 | N | 28.5 | Very low | 32.2 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | trans | 127.3 | 83.3 | 160.3 | -68.5 | -44.9 | 0 | 0 | 0 | 116 | D2328 | D2328-N2330 PolarHBondContact O-N 3.09Š| ||
| 2331 | N | 28.6 | Very low | 31.5 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 85% | 0.845 | 69% | 0.691 | S | S | * | * | trans | 176.2 | 108 | 142.3 | -104.4 | -27.2 | 0 | 0 | 0 | 115.3 | ||||
| 2332 | I | 29.6 | Very low | 31 | Very low | 140.6 Ų | 140.6 | 134.7 Ų | 134.7 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | trans | -123.1 | 99.9 | 163.5 | -57.5 | 172.2 | 0 | 0 | 0 | 110.9 | ||||
| 2333 | N | 29.1 | Very low | 30.4 | Very low | 141.8 Ų | 141.8 | 132.7 Ų | 132.7 | 76% | 0.758 | 69% | 0.693 | S | S | * | * | trans | -130.5 | 138.2 | 150.9 | -77.9 | -30.8 | 0 | 0 | 0 | 111.9 | D2335 | N2333-D2335 PolarHBondContact O-N 3.22Š| ||
| 2334 | N | 28.1 | Very low | 30.1 | Very low | 129.4 Ų | 129.4 | 131.1 Ų | 131.1 | 69% | 0.692 | 69% | 0.689 | S | S | * | * | trans | -38.1 | 105.8 | 161.9 | -59.2 | -32.2 | 0 | 0 | 0 | 114 | M2336 | N2334-M2336 PolarHBondContact O-N 3.09Å; N2334-M2336 VanDerWaalsContact O-N 3.1Å | ||
| 2335 | D | 28.8 | Very low | 29.8 | Very low | 146.8 Ų | 146.8 | 132.4 Ų | 132.4 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | -133.3 | 126.9 | 143 | -91.9 | -24.9 | 0 | 0 | 0 | 111.7 | N2333 S2521 | N2333-D2335 PolarHBondContact O-N 3.22Å; D2335-S2521 WeakPolarHBondContact OD1-CB 3.25Å | ||
| 2336 | M | 29.2 | Very low | 29.4 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | 20 | 106.2 | 164.2 | -69.9 | -152.9 | 137.9 | 0 | 0 | 115.1 | N2334 D2338 R2593 | N2334-M2336 PolarHBondContact O-N 3.09Å; N2334-M2336 VanDerWaalsContact O-N 3.1Å; M2336-D2338 VanDerWaalsContact C-N 3.32Å; M2336-D2338 HydrophobicContact CB-CB 4.07Å; M2336-D2338 HydrophobicContact CG-CB 4.38Å; M2336-D2338 PolarHBondContact O-N 3.09Å; M2336-D2338 HydrophobicContact SD-CB 4.23Å; M2336-R2593 PolarHBondContact SD-NH1 2.91Å | ||
| 2337 | I | 30.5 | Very low | 29.5 | Very low | 135.2 Ų | 135.2 | 129.2 Ų | 129.2 | 69% | 0.693 | 69% | 0.691 | S | S | * | * | trans | -88 | 108 | 143.3 | -69.5 | 168 | 0 | 0 | 0 | 107.8 | H2339 Y2342 M2494 | I2337-H2339 VanDerWaalsContact C-N 3.34Å; I2337-H2339 WeakPolarHBondContact CG2-CD2 3.44Å; I2337-H2339 PolarHBondContact O-N 3.32Å; I2337-Y2342 HydrophobicContact CG2-CE2 3.77Å; I2337-Y2342 VanDerWaalsContact CG2-OH 3.26Å; I2337-Y2342 WeakPolarHBondContact CG2-OH 3.44Å; I2337-M2494 HydrophobicContact CD1-CE 4.43Å | ||
| 2338 | D | 29.1 | Very low | 29.6 | Very low | 97.8 Ų | 97.8 | 128.4 Ų | 128.4 | 52% | 0.523 | 69% | 0.687 | S | S | . | * | trans | -78.7 | 100.4 | 165.6 | -133.5 | -5.5 | 0 | 0 | 0 | 113.2 | M2336 N2340 S2341 | M2336-D2338 VanDerWaalsContact C-N 3.32Å; M2336-D2338 HydrophobicContact CB-CB 4.07Å; M2336-D2338 HydrophobicContact CG-CB 4.38Å; M2336-D2338 PolarHBondContact O-N 3.09Å; M2336-D2338 HydrophobicContact SD-CB 4.23Å; D2338-N2340 PolarHBondContact O-N 3.16Å; D2338-N2340 WeakPolarHBondContact OD1-CB 3.39Å; D2338-N2340 PolarHBondContact OD1-N 2.63Å; D2338-N2340 PolarHBondContact OD1-ND2 2.89Å; D2338-S2341 PolarHBondContact O-N 2.97Å; D2338-S2341 VanDerWaalsContact O-N 3.13Å; D2338-S2341 PolarHBondContact O-OG 3.31Å; D2338-S2341 VanDerWaalsContact OD2-CB 3.27Å; D2338-S2341 WeakPolarHBondContact OD2-CB 3.45Å; D2338-S2341 PolarHBondContact OD2-OG 3.39Å | ||
| 2339 | H | 32.9 | Very low | 30 | Very low | 151.4 Ų | 151.4 | 126.7 Ų | 126.7 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | trans | -57.4 | 35 | 166.5 | -80.4 | -57 | 0 | 0 | 0 | 115.1 | I2337 Y2342 K2907 | I2337-H2339 VanDerWaalsContact C-N 3.34Å; I2337-H2339 WeakPolarHBondContact CG2-CD2 3.44Å; I2337-H2339 PolarHBondContact O-N 3.32Å; H2339-Y2342 AromaticContact ND1-CD2 3.94Å; H2339-Y2342 AromaticContact ND1-CE2 3.46Å; H2339-Y2342 WeakPolarHBondContact ND1-CE2 3.27Å; H2339-K2907 PolarHBondContact O-NZ 3.37Å | ||
| 2340 | N | 30.2 | Very low | 30.5 | Very low | 121.8 Ų | 121.8 | 121.7 Ų | 121.7 | 65% | 0.651 | 66% | 0.656 | S | S | * | * | trans | -95.6 | 20.5 | 166.2 | -69.9 | -29.9 | 0 | 0 | 0 | 115.3 | D2338 Y2342 Y2569 | D2338-N2340 PolarHBondContact O-N 3.16Å; D2338-N2340 WeakPolarHBondContact OD1-CB 3.39Å; D2338-N2340 PolarHBondContact OD1-N 2.63Å; D2338-N2340 PolarHBondContact OD1-ND2 2.89Å; N2340-Y2342 VanDerWaalsContact C-N 3.3Å; N2340-Y2342 PolarHBondContact O-N 3.08Å; N2340-Y2569 PolarHBondContact OD1-OH 3.35Å | ||
| 2341 | S | 28 | Very low | 30.9 | Very low | 93.6 Ų | 93.6 | 118.2 Ų | 118.2 | 66% | 0.655 | 64% | 0.644 | S | S | * | * | trans | -113.1 | 21.4 | 170.7 | 54.7 | 0 | 0 | 0 | 0 | 114 | D2338 S2343 | D2338-S2341 PolarHBondContact O-N 2.97Å; D2338-S2341 VanDerWaalsContact O-N 3.13Å; D2338-S2341 PolarHBondContact O-OG 3.31Å; D2338-S2341 VanDerWaalsContact OD2-CB 3.27Å; D2338-S2341 WeakPolarHBondContact OD2-CB 3.45Å; D2338-S2341 PolarHBondContact OD2-OG 3.39Å; S2341-S2343 VanDerWaalsContact C-N 3.28Å; S2341-S2343 PolarHBondContact O-N 3.17Å | ||
| 2342 | Y | 29.9 | Very low | 31.6 | Very low | 155.8 Ų | 155.8 | 114 Ų | 114 | 61% | 0.611 | 62% | 0.624 | S | S | * | * | trans | -87 | 87.8 | 169.6 | -78 | -83.8 | 0 | 0 | 0 | 110.9 | T2313 S2316 I2337 H2339 N2340 P2344 K2907 | T2313-Y2342 HydrophobicContact CG2-CE1 4.04Å; S2316-Y2342 WeakPolarHBondContact CB-OH 3.47Å; S2316-Y2342 PolarHBondContact OG-OH 3.31Å; S2316-Y2342 VanDerWaalsContact OG-OH 3.08Å; I2337-Y2342 HydrophobicContact CG2-CE2 3.77Å; I2337-Y2342 VanDerWaalsContact CG2-OH 3.26Å; I2337-Y2342 WeakPolarHBondContact CG2-OH 3.44Å; H2339-Y2342 AromaticContact ND1-CD2 3.94Å; H2339-Y2342 AromaticContact ND1-CE2 3.46Å; H2339-Y2342 WeakPolarHBondContact ND1-CE2 3.27Å; N2340-Y2342 VanDerWaalsContact C-N 3.3Å; N2340-Y2342 PolarHBondContact O-N 3.08Å; Y2342-P2344 VanDerWaalsContact C-CD 3.43Å; Y2342-P2344 VanDerWaalsContact O-CD 3.26Å; Y2342-P2344 WeakPolarHBondContact O-CD 3.45Å; Y2342-K2907 PolarHBondContact O-NZ 2.8Å | ||
| 2343 | S | 27 | Very low | 32.4 | Very low | 87 Ų | 87 | 109.9 Ų | 109.9 | 61% | 0.608 | 60% | 0.601 | S | S | * | * | trans | -92.6 | 111.9 | 158.3 | 56.8 | 0 | 0 | 0 | 0 | 109 | S2341 L2345 | S2341-S2343 VanDerWaalsContact C-N 3.28Å; S2341-S2343 PolarHBondContact O-N 3.17Å; S2343-L2345 PolarHBondContact O-N 3.11Å | ||
| 2344 | P | 30.2 | Very low | 33.2 | Very low | 90.6 Ų | 90.6 | 105.8 Ų | 105.8 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | trans | -63 | 120.1 | 164.7 | 11.1 | -8.1 | 0 | 0 | 0 | 107.7 | Y2342 S2346 D2911 | Y2342-P2344 VanDerWaalsContact C-CD 3.43Å; Y2342-P2344 VanDerWaalsContact O-CD 3.26Å; Y2342-P2344 WeakPolarHBondContact O-CD 3.45Å; P2344-S2346 PolarHBondContact O-N 3.17Å; P2344-D2911 WeakPolarHBondContact CG-OD2 3.31Å | ||
| 2345 | L | 31.5 | Very low | 34.5 | Very low | 129.2 Ų | 129.2 | 101.7 Ų | 101.7 | 68% | 0.676 | 56% | 0.561 | S | S | * | * | trans | -56.6 | 134.1 | -176.2 | -88.7 | 79.8 | 0 | 0 | 0 | 110.8 | T2245 S2343 T2347 | T2245-L2345 HydrophobicContact CG2-CD1 4.23Å; T2245-L2345 HydrophobicContact CG2-CD2 4.06Å; T2245-L2345 HydrophobicContact CG2-CG 3.89Å; S2343-L2345 PolarHBondContact O-N 3.11Å; L2345-T2347 VanDerWaalsContact C-N 3.29Å; L2345-T2347 PolarHBondContact O-N 3.13Å; L2345-T2347 PolarHBondContact O-OG1 3.11Å; L2345-T2347 VanDerWaalsContact O-OG1 3.13Å | ||
| 2346 | S | 28.3 | Very low | 36.1 | Very low | 90.2 Ų | 90.2 | 95.9 Ų | 95.9 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | trans | -43 | 91.3 | 173.1 | 32.4 | 0 | 0 | 0 | 0 | 113.9 | N2249 P2344 S2348 | N2249-S2346 PolarHBondContact OD1-O 3.46Å; P2344-S2346 PolarHBondContact O-N 3.17Å; S2346-S2348 WeakPolarHBondContact CB-OG 3.39Å; S2346-S2348 PolarHBondContact O-N 3.19Å | ||
| 2347 | T | 33.7 | Very low | 37.9 | Very low | 92.2 Ų | 92.2 | 91.3 Ų | 91.3 | 57% | 0.566 | 51% | 0.512 | S | S | * | . | trans | -92.3 | 57 | 165.7 | 42.2 | 0 | 0 | 0 | 0 | 110.2 | L2345 H2349 F2350 | L2345-T2347 VanDerWaalsContact C-N 3.29Å; L2345-T2347 PolarHBondContact O-N 3.13Å; L2345-T2347 PolarHBondContact O-OG1 3.11Å; L2345-T2347 VanDerWaalsContact O-OG1 3.13Å; T2347-H2349 VanDerWaalsContact C-N 3.33Å; T2347-H2349 PolarHBondContact O-N 3.17Å; T2347-F2350 WeakPolarHBondContact O-CD2 3.24Å; T2347-F2350 WeakPolarHBondContact OG1-CE2 3.36Å | ||
| 2348 | S | 31.1 | Very low | 39.9 | Very low | 83.6 Ų | 83.6 | 85.5 Ų | 85.5 | 59% | 0.585 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 77.2 | 174 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | S2346 F2350 S2351 | S2346-S2348 WeakPolarHBondContact CB-OG 3.39Å; S2346-S2348 PolarHBondContact O-N 3.19Å; S2348-F2350 PolarHBondContact O-N 3.24Å; S2348-S2351 PolarHBondContact O-OG 2.83Å |
| 2349 | H | 38.7 | Very low | 42.4 | Very low | 120.6 Ų | 120.6 | 83.1 Ų | 83.1 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | trans | 173.1 | 29.7 | 174 | -63.6 | -68.7 | 0 | 0 | 0 | 116 | Y2143 T2347 S2351 T2352 F2353 | Y2143-H2349 PolarHBondContact OH-CE1 3.24Å; T2347-H2349 VanDerWaalsContact C-N 3.33Å; T2347-H2349 PolarHBondContact O-N 3.17Å; H2349-S2351 VanDerWaalsContact CB-OG 3.26Å; H2349-S2351 WeakPolarHBondContact CB-OG 3.34Å; H2349-S2351 PolarHBondContact O-N 3.21Å; H2349-S2351 VanDerWaalsContact O-N 3.16Å; H2349-T2352 PolarHBondContact O-N 3.19Å; H2349-T2352 VanDerWaalsContact O-N 3.1Å; H2349-T2352 PolarHBondContact O-OG1 3.38Å; H2349-T2352 VanDerWaalsContact O-OG1 3.12Å; H2349-F2353 WeakPolarHBondContact O-CE2 3.21Å | ||
| 2350 | F | 37.5 | Very low | 44.7 | Very low | 93.4 Ų | 93.4 | 81 Ų | 81 | 41% | 0.41 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -67.1 | 19.2 | 166.8 | -84.6 | -70.3 | 0 | 0 | 0 | 113.9 | I2309 I2314 T2347 S2348 T2352 F2353 Y2580 L2905 Q2910 V2913 N2914 | I2309-F2350 HydrophobicContact CD1-CE1 4.03Å; I2309-F2350 HydrophobicContact CD1-CZ 4Å; I2309-F2350 HydrophobicContact CG1-CE1 4.09Å; I2309-F2350 HydrophobicContact CG1-CZ 4.29Å; I2314-F2350 HydrophobicContact CD1-CE2 4.25Å; T2347-F2350 WeakPolarHBondContact O-CD2 3.24Å; T2347-F2350 WeakPolarHBondContact OG1-CE2 3.36Å; S2348-F2350 PolarHBondContact O-N 3.24Å; F2350-T2352 VanDerWaalsContact C-N 3.32Å; F2350-T2352 PolarHBondContact O-N 2.92Å; F2350-F2353 AromaticContact CD1-CD2 3.88Å; F2350-F2353 HydrophobicContact CD1-CD2 4.08Å; F2350-F2353 AromaticContact CD1-CE2 3.94Å; F2350-F2353 HydrophobicContact CD1-CE2 3.94Å; F2350-F2353 HydrophobicContact CE1-CD2 4.36Å; F2350-F2353 HydrophobicContact CE1-CE2 4.35Å; F2350-F2353 HydrophobicContact CG-CD2 4.46Å; F2350-F2353 HydrophobicContact CG-CE2 4.28Å; F2350-Y2580 HydrophobicContact CB-CD1 4.41Å; F2350-Y2580 HydrophobicContact CD1-CD1 4.14Å; F2350-Y2580 HydrophobicContact CD1-CG 4.1Å; F2350-Y2580 AromaticContact CD2-CD1 3.62Å; F2350-Y2580 HydrophobicContact CD2-CD1 3.62Å; F2350-Y2580 HydrophobicContact CD2-CD2 4.36Å; F2350-Y2580 AromaticContact CD2-CE1 3.78Å; F2350-Y2580 HydrophobicContact CD2-CE1 3.78Å; F2350-Y2580 HydrophobicContact CD2-CE2 4.49Å; F2350-Y2580 AromaticContact CD2-CG 3.93Å; F2350-Y2580 HydrophobicContact CD2-CG 3.93Å; F2350-Y2580 HydrophobicContact CE1-CD1 4.23Å; F2350-Y2580 HydrophobicContact CE1-CD2 4.31Å; F2350-Y2580 AromaticContact CE1-CG 3.74Å; F2350-Y2580 HydrophobicContact CE1-CG 3.74Å; F2350-Y2580 AromaticContact CE2-CD1 3.7Å; F2350-Y2580 HydrophobicContact CE2-CD1 3.7Å; F2350-Y2580 AromaticContact CE2-CD2 3.58Å; F2350-Y2580 HydrophobicContact CE2-CD2 3.58Å; F2350-Y2580 AromaticContact CE2-CE1 3.92Å; F2350-Y2580 HydrophobicContact CE2-CE1 3.92Å; F2350-Y2580 AromaticContact CE2-CE2 3.8Å; F2350-Y2580 HydrophobicContact CE2-CE2 3.8Å; F2350-Y2580 AromaticContact CE2-CG 3.52Å; F2350-Y2580 HydrophobicContact CE2-CG 3.52Å; F2350-Y2580 AromaticContact CE2-CZ 3.96Å; F2350-Y2580 AromaticContact CG-CD1 3.83Å; F2350-Y2580 HydrophobicContact CG-CD1 3.83Å; F2350-Y2580 HydrophobicContact CG-CE1 4.36Å; F2350-Y2580 HydrophobicContact CG-CG 4.18Å; F2350-Y2580 VanDerWaalsContact CZ-CB 3.47Å; F2350-Y2580 AromaticContact CZ-CD1 4Å; F2350-Y2580 HydrophobicContact CZ-CD1 4Å; F2350-Y2580 AromaticContact CZ-CD2 3.53Å; F2350-Y2580 HydrophobicContact CZ-CD2 3.53Å; F2350-Y2580 HydrophobicContact CZ-CE2 4.22Å; F2350-Y2580 AromaticContact CZ-CG 3.4Å; F2350-Y2580 HydrophobicContact CZ-CG 3.4Å; F2350-Y2580 VanDerWaalsContact CZ-CG 3.4Å; F2350-L2905 HydrophobicContact CE2-CD2 3.49Å; F2350-L2905 VanDerWaalsContact CE2-CD2 3.49Å; F2350-L2905 HydrophobicContact CZ-CD2 3.4Å; F2350-Q2910 VanDerWaalsContact CE2-CD 3.45Å; F2350-V2913 HydrophobicContact CE1-CG1 4.21Å; F2350-N2914 WeakPolarHBondContact CE1-OD1 3.47Å |
| 2351 | S | 36.7 | Very low | 47.4 | Very low | 75.2 Ų | 75.2 | 81.1 Ų | 81.1 | 53% | 0.526 | 46% | 0.455 | S | S | . | . | trans | -76.2 | 37.9 | -178.5 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | S2348 H2349 F2353 S2354 | S2348-S2351 PolarHBondContact O-OG 2.83Å; H2349-S2351 VanDerWaalsContact CB-OG 3.26Å; H2349-S2351 WeakPolarHBondContact CB-OG 3.34Å; H2349-S2351 PolarHBondContact O-N 3.21Å; H2349-S2351 VanDerWaalsContact O-N 3.16Å; S2351-F2353 VanDerWaalsContact C-N 3.3Å; S2351-F2353 PolarHBondContact O-N 3.34Å; S2351-F2353 VanDerWaalsContact O-N 3.13Å; S2351-F2353 WeakPolarHBondContact OG-CE2 3.49Å; S2351-S2354 PolarHBondContact O-N 2.83Å; S2351-S2354 PolarHBondContact O-OG 2.92Å | ||
| 2352 | T | 42.6 | Very low | 50.3 | Low | 69.2 Ų | 69.2 | 76.6 Ų | 76.6 | 43% | 0.425 | 42% | 0.424 | S | S | . | . | trans | -77.4 | 38.4 | 172.9 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | H2349 F2350 S2354 N2355 | H2349-T2352 PolarHBondContact O-N 3.19Å; H2349-T2352 VanDerWaalsContact O-N 3.1Å; H2349-T2352 PolarHBondContact O-OG1 3.38Å; H2349-T2352 VanDerWaalsContact O-OG1 3.12Å; F2350-T2352 VanDerWaalsContact C-N 3.32Å; F2350-T2352 PolarHBondContact O-N 2.92Å; T2352-S2354 VanDerWaalsContact C-N 3.3Å; T2352-S2354 PolarHBondContact O-N 3.22Å; T2352-S2354 PolarHBondContact O-OG 2.76Å; T2352-N2355 VanDerWaalsContact O-CB 3.27Å; T2352-N2355 WeakPolarHBondContact O-CB 3.34Å; T2352-N2355 PolarHBondContact O-N 2.84Å; T2352-N2355 VanDerWaalsContact O-N 3.1Å; T2352-N2355 PolarHBondContact OG1-ND2 3.15Å; T2352-N2355 VanDerWaalsContact OG1-ND2 3.1Å | ||
| 2353 | F | 46.5 | Very low | 53.1 | Low | 54.6 Ų | 54.6 | 70.5 Ų | 70.5 | 24% | 0.239 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -66.1 | 12.8 | 174 | -73 | -73.5 | 0 | 0 | 0 | 113.4 | Q2133 Q2305 H2349 F2350 S2351 N2355 L2356 R2582 N2914 N2917 I2918 | Q2133-F2353 HydrophobicContact CB-CE1 4.29Å; Q2133-F2353 WeakPolarHBondContact O-CD1 3.18Å; Q2305-F2353 VanDerWaalsContact OE1-CE1 3.28Å; H2349-F2353 WeakPolarHBondContact O-CE2 3.21Å; F2350-F2353 AromaticContact CD1-CD2 3.88Å; F2350-F2353 HydrophobicContact CD1-CD2 4.08Å; F2350-F2353 AromaticContact CD1-CE2 3.94Å; F2350-F2353 HydrophobicContact CD1-CE2 3.94Å; F2350-F2353 HydrophobicContact CE1-CD2 4.36Å; F2350-F2353 HydrophobicContact CE1-CE2 4.35Å; F2350-F2353 HydrophobicContact CG-CD2 4.46Å; F2350-F2353 HydrophobicContact CG-CE2 4.28Å; S2351-F2353 VanDerWaalsContact C-N 3.3Å; S2351-F2353 PolarHBondContact O-N 3.34Å; S2351-F2353 VanDerWaalsContact O-N 3.13Å; S2351-F2353 WeakPolarHBondContact OG-CE2 3.49Å; F2353-N2355 VanDerWaalsContact C-N 3.34Å; F2353-N2355 PolarHBondContact O-N 3.13Å; F2353-N2355 VanDerWaalsContact O-N 3.15Å; F2353-L2356 HydrophobicContact CB-CG 4.38Å; F2353-L2356 HydrophobicContact CD1-CD1 3.9Å; F2353-L2356 HydrophobicContact CD1-CD2 4.21Å; F2353-L2356 HydrophobicContact CE1-CD1 4.17Å; F2353-L2356 HydrophobicContact CE1-CD2 4.38Å; F2353-L2356 HydrophobicContact CG-CD1 4.45Å; F2353-L2356 PolarHBondContact O-N 3.17Å; F2353-R2582 VanDerWaalsContact CB-NH2 3.26Å; F2353-R2582 PolarHBondContact O-NH1 3.18Å; F2353-R2582 PolarHBondContact O-NH2 3.17Å; F2353-N2914 WeakPolarHBondContact CE2-OD1 3.34Å; F2353-N2914 HydrophobicContact CZ-CB 3.78Å; F2353-N2914 VanDerWaalsContact CZ-OD1 3.27Å; F2353-N2914 WeakPolarHBondContact CZ-OD1 3.2Å; F2353-N2917 HydrophobicContact CD1-CB 4.07Å; F2353-N2917 HydrophobicContact CE1-CB 3.76Å; F2353-N2917 HydrophobicContact CZ-CB 4.1Å; F2353-I2918 HydrophobicContact CE1-CG1 4.07Å |
| 2354 | S | 47.7 | Very low | 56.1 | Low | 55.2 Ų | 55.2 | 69.9 Ų | 69.9 | 39% | 0.386 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -63.7 | -20 | 173 | 49.2 | 0 | 0 | 0 | 0 | 111.9 | S2136 S2351 T2352 L2356 S2357 R2582 | S2136-S2354 PolarHBondContact OG-O 3.49Å; S2351-S2354 PolarHBondContact O-N 2.83Å; S2351-S2354 PolarHBondContact O-OG 2.92Å; T2352-S2354 VanDerWaalsContact C-N 3.3Å; T2352-S2354 PolarHBondContact O-N 3.22Å; T2352-S2354 PolarHBondContact O-OG 2.76Å; S2354-L2356 VanDerWaalsContact C-N 3.3Å; S2354-L2356 PolarHBondContact O-N 3.17Å; S2354-S2357 PolarHBondContact O-N 3.29Å; S2354-S2357 VanDerWaalsContact O-N 3.09Å; S2354-S2357 PolarHBondContact O-OG 2.89Å; S2354-R2582 PolarHBondContact O-NH2 3.07Å; S2354-R2582 VanDerWaalsContact O-NH2 3.11Å |
| 2355 | N | 55.3 | Low | 59 | Low | 42.8 Ų | 42.8 | 66.3 Ų | 66.3 | 23% | 0.229 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -9.9 | 178.3 | -59.8 | -5.6 | 0 | 0 | 0 | 112.9 | R2132 Q2133 I2188 T2352 F2353 S2357 | R2132-N2355 PolarHBondContact NH1-O 2.88Å; R2132-N2355 WeakPolarHBondContact O-CB 3.31Å; R2132-N2355 VanDerWaalsContact O-CG 3.22Å; R2132-N2355 PolarHBondContact O-ND2 3.14Å; Q2133-N2355 PolarHBondContact NE2-O 3.17Å; Q2133-N2355 PolarHBondContact O-ND2 3.15Å; I2188-N2355 HydrophobicContact CD1-CB 3.98Å; I2188-N2355 WeakPolarHBondContact CD1-OD1 3.23Å; T2352-N2355 VanDerWaalsContact O-CB 3.27Å; T2352-N2355 WeakPolarHBondContact O-CB 3.34Å; T2352-N2355 PolarHBondContact O-N 2.84Å; T2352-N2355 VanDerWaalsContact O-N 3.1Å; T2352-N2355 PolarHBondContact OG1-ND2 3.15Å; T2352-N2355 VanDerWaalsContact OG1-ND2 3.1Å; F2353-N2355 VanDerWaalsContact C-N 3.34Å; F2353-N2355 PolarHBondContact O-N 3.13Å; F2353-N2355 VanDerWaalsContact O-N 3.15Å; N2355-S2357 VanDerWaalsContact C-N 3.31Å; N2355-S2357 PolarHBondContact O-N 3.08Å; N2355-S2357 VanDerWaalsContact O-N 3.16Å |
| 2356 | L | 61.3 | Low | 61.9 | Low | 25.4 Ų | 25.4 | 60.1 Ų | 60.1 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | trans | -73 | 10.5 | 178.2 | -77.1 | 126.6 | 0 | 0 | 0 | 114.3 | R2132 Q2133 P2301 A2302 Q2305 F2353 S2354 C2358 I2918 L2921 | R2132-L2356 HydrophobicContact CG-CD2 4.13Å; R2132-L2356 WeakPolarHBondContact O-CD2 3.34Å; Q2133-L2356 HydrophobicContact CG-CD2 3.96Å; P2301-L2356 HydrophobicContact CB-CD2 4.01Å; P2301-L2356 HydrophobicContact CG-CD2 4.29Å; A2302-L2356 HydrophobicContact CB-CD2 4.18Å; Q2305-L2356 HydrophobicContact CG-CD2 4.43Å; F2353-L2356 HydrophobicContact CB-CG 4.38Å; F2353-L2356 HydrophobicContact CD1-CD1 3.9Å; F2353-L2356 HydrophobicContact CD1-CD2 4.21Å; F2353-L2356 HydrophobicContact CE1-CD1 4.17Å; F2353-L2356 HydrophobicContact CE1-CD2 4.38Å; F2353-L2356 HydrophobicContact CG-CD1 4.45Å; F2353-L2356 PolarHBondContact O-N 3.17Å; S2354-L2356 VanDerWaalsContact C-N 3.3Å; S2354-L2356 PolarHBondContact O-N 3.17Å; L2356-C2358 PolarHBondContact O-N 2.83Å; L2356-I2918 HydrophobicContact CD1-CG1 4.32Å; L2356-L2921 HydrophobicContact CB-CD1 3.86Å | ||
| 2357 | S | 66.3 | Low | 65 | Low | 52.2 Ų | 52.2 | 57.6 Ų | 57.6 | 37% | 0.365 | 31% | 0.313 | S | S | . | . | trans | -98.9 | 136.6 | 173 | 66.8 | 0 | 0 | 0 | 0 | 111.7 | R2132 S2354 N2355 | R2132-S2357 PolarHBondContact NH2-O 3.29Å; S2354-S2357 PolarHBondContact O-N 3.29Å; S2354-S2357 VanDerWaalsContact O-N 3.09Å; S2354-S2357 PolarHBondContact O-OG 2.89Å; N2355-S2357 VanDerWaalsContact C-N 3.31Å; N2355-S2357 PolarHBondContact O-N 3.08Å; N2355-S2357 VanDerWaalsContact O-N 3.16Å | ||
| 2358 | C | 74.3 | Confident | 67.8 | Low | 14.6 Ų | 14.6 | 56.2 Ų | 56.2 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | trans | -96.5 | 135.9 | 170.4 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | L2298 L2356 L2362 M2363 | L2298-C2358 PolarHBondContact O-SG 3.41Å; L2356-C2358 PolarHBondContact O-N 2.83Å; C2358-L2362 HydrophobicContact CB-CB 4.35Å; C2358-L2362 HydrophobicContact CB-CD2 3.92Å; C2358-L2362 HydrophobicContact CB-CG 4.22Å; C2358-L2362 VanDerWaalsContact SG-CG 3.56Å; C2358-M2363 HydrophobicContact CB-CE 4.47Å; C2358-M2363 HydrophobicContact CB-CG 3.89Å; C2358-M2363 HydrophobicContact CB-SD 4.36Å; C2358-M2363 WeakPolarHBondContact O-CE 3.49Å; C2358-M2363 VanDerWaalsContact SG-CG 3.54Å; C2358-M2363 WeakPolarHBondContact SG-CG 3.47Å; C2358-M2363 PolarHBondContact SG-N 3.07Å; C2358-M2363 VanDerWaalsContact SG-N 3.41Å | ||
| 2359 | S | 80.1 | Confident | 70.7 | Confident | 45.6 Ų | 45.6 | 52.4 Ų | 52.4 | 32% | 0.319 | 28% | 0.276 | S | S | . | . | trans | -68.3 | 153.8 | 174.4 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | D2192 K2361 L2362 M2363 | D2192-S2359 VanDerWaalsContact OD2-CB 3.24Å; D2192-S2359 WeakPolarHBondContact OD2-CB 3.41Å; D2192-S2359 PolarHBondContact OD2-N 3.22Å; D2192-S2359 PolarHBondContact OD2-OG 2.87Å; S2359-K2361 VanDerWaalsContact C-N 3.28Å; S2359-K2361 PolarHBondContact O-N 3.09Å; S2359-L2362 PolarHBondContact O-N 3.24Å; S2359-L2362 VanDerWaalsContact O-N 3.14Å; S2359-L2362 VanDerWaalsContact OG-CB 3.27Å; S2359-L2362 WeakPolarHBondContact OG-CB 3.28Å; S2359-L2362 PolarHBondContact OG-N 3.1Å; S2359-M2363 WeakPolarHBondContact O-CB 3.3Å; S2359-M2363 WeakPolarHBondContact O-CG 3.45Å; S2359-M2363 PolarHBondContact O-N 3.29Å | ||
| 2360 | R | 82.1 | Confident | 73.2 | Confident | 108.2 Ų | 108.2 | 46.8 Ų | 46.8 | 41% | 0.408 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -32.4 | -178.9 | -169.1 | 160.7 | -83.8 | 157.5 | 6.7 | 112.7 | L2362 M2363 N2364 D2446 D2928 L2930 | R2360-L2362 VanDerWaalsContact C-N 3.31Å; R2360-L2362 PolarHBondContact O-N 3.35Å; R2360-M2363 HydrophobicContact CB-CE 4.37Å; R2360-M2363 PolarHBondContact O-N 3.18Å; R2360-N2364 WeakPolarHBondContact O-CB 3.35Å; R2360-N2364 PolarHBondContact O-N 3.17Å; R2360-N2364 VanDerWaalsContact O-N 3.13Å; R2360-N2364 PolarHBondContact O-OD1 3.19Å; R2360-D2446 IonicContact CZ-OD1 2.95Å; R2360-D2446 VanDerWaalsContact CZ-OD1 3.3Å; R2360-D2446 IonicContact CZ-OD2 3.44Å; R2360-D2446 VanDerWaalsContact CZ-OD2 3.24Å; R2360-D2446 IonicContact NH1-OD1 3.4Å; R2360-D2446 PolarHBondContact NH1-OD1 2.81Å; R2360-D2446 IonicContact NH1-OD2 2.74Å; R2360-D2446 PolarHBondContact NH1-OD2 3.1Å; R2360-D2446 IonicContact NH2-OD1 3.3Å; R2360-D2446 PolarHBondContact NH2-OD1 3.33Å; R2360-D2446 IonicContact NH2-OD2 3.1Å; R2360-D2446 PolarHBondContact NH2-OD2 2.93Å; R2360-D2928 IonicContact CZ-OD2 3.08Å; R2360-D2928 IonicContact NE-OD1 3Å; R2360-D2928 IonicContact NE-OD2 3.41Å; R2360-D2928 PolarHBondContact NE-OD2 3.39Å; R2360-D2928 IonicContact NH2-OD2 2.93Å; R2360-D2928 PolarHBondContact NH2-OD2 3.18Å; R2360-L2930 HydrophobicContact CG-CD1 3.5Å; R2360-L2930 VanDerWaalsContact CG-CD1 3.45Å; R2360-L2930 HydrophobicContact CG-CG 4.05Å |
| 2361 | K | 85.7 | Confident | 75.8 | Confident | 123.4 Ų | 123.4 | 44.2 Ų | 44.2 | 54% | 0.537 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 172.8 | -106.9 | -174.7 | 177.6 | -176.3 | 0 | 111.3 | D2091 C2196 S2359 M2363 N2364 S2365 | D2091-K2361 IonicContact OD1-NZ 3.65Å; D2091-K2361 PolarHBondContact OD1-NZ 2.96Å; D2091-K2361 IonicContact OD2-NZ 2.7Å; D2091-K2361 PolarHBondContact OD2-NZ 3.44Å; C2196-K2361 VanDerWaalsContact SG-C 3.57Å; S2359-K2361 VanDerWaalsContact C-N 3.28Å; S2359-K2361 PolarHBondContact O-N 3.09Å; K2361-M2363 VanDerWaalsContact C-N 3.33Å; K2361-M2363 PolarHBondContact O-N 2.84Å; K2361-N2364 PolarHBondContact O-N 2.84Å; K2361-S2365 WeakPolarHBondContact O-CB 3.36Å; K2361-S2365 PolarHBondContact O-N 3.16Å; K2361-S2365 PolarHBondContact O-OG 3.2Å |
| 2362 | L | 89.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 178.8 | -178.4 | 59.5 | 0 | 0 | 0 | 112.1 | D2192 I2195 C2196 L2199 L2298 C2358 S2359 R2360 N2364 S2365 T2366 | D2192-L2362 HydrophobicContact CB-CB 4.38Å; D2192-L2362 HydrophobicContact CB-CD2 4.14Å; D2192-L2362 VanDerWaalsContact CG-CD2 3.43Å; D2192-L2362 WeakPolarHBondContact OD1-CD2 3.4Å; D2192-L2362 WeakPolarHBondContact OD2-CD2 3.32Å; I2195-L2362 HydrophobicContact CB-CD1 3.94Å; I2195-L2362 HydrophobicContact CB-CD2 4.44Å; I2195-L2362 HydrophobicContact CG2-CD1 3.58Å; I2195-L2362 HydrophobicContact CG2-CD2 4.47Å; C2196-L2362 HydrophobicContact CB-CD1 4.23Å; C2196-L2362 WeakPolarHBondContact SG-CA 3.41Å; C2196-L2362 PolarHBondContact SG-N 3.4Å; C2196-L2362 VanDerWaalsContact SG-N 3.37Å; L2199-L2362 HydrophobicContact CD1-CD1 3.79Å; L2298-L2362 HydrophobicContact CD1-CD1 4.16Å; L2298-L2362 HydrophobicContact CD1-CD2 3.83Å; L2298-L2362 HydrophobicContact CD2-CD1 4.16Å; L2298-L2362 HydrophobicContact CD2-CD2 4.22Å; L2298-L2362 HydrophobicContact CD2-CG 4.25Å; L2298-L2362 HydrophobicContact CG-CD2 4.21Å; L2298-L2362 HydrophobicContact CG-CG 4.47Å; C2358-L2362 HydrophobicContact CB-CB 4.35Å; C2358-L2362 HydrophobicContact CB-CD2 3.92Å; C2358-L2362 HydrophobicContact CB-CG 4.22Å; C2358-L2362 VanDerWaalsContact SG-CG 3.56Å; S2359-L2362 PolarHBondContact O-N 3.24Å; S2359-L2362 VanDerWaalsContact O-N 3.14Å; S2359-L2362 VanDerWaalsContact OG-CB 3.27Å; S2359-L2362 WeakPolarHBondContact OG-CB 3.28Å; S2359-L2362 PolarHBondContact OG-N 3.1Å; R2360-L2362 VanDerWaalsContact C-N 3.31Å; R2360-L2362 PolarHBondContact O-N 3.35Å; L2362-N2364 VanDerWaalsContact C-N 3.34Å; L2362-N2364 PolarHBondContact O-N 3.21Å; L2362-S2365 PolarHBondContact O-N 3.15Å; L2362-T2366 VanDerWaalsContact O-CB 3.31Å; L2362-T2366 WeakPolarHBondContact O-CB 3.25Å; L2362-T2366 PolarHBondContact O-N 3.21Å; L2362-T2366 PolarHBondContact O-OG1 3.09Å |
| 2363 | M | 89.5 | Confident | 80.2 | Confident | 26.4 Ų | 26.4 | 38 Ų | 38 | 13% | 0.13 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.2 | -48.9 | 174.6 | -134.5 | -174.2 | -63.6 | 0 | 0 | 111.3 | L2299 C2358 S2359 R2360 K2361 S2365 T2366 F2367 I2925 D2928 L2930 | L2299-M2363 HydrophobicContact CD2-CB 4.31Å; L2299-M2363 HydrophobicContact CD2-CG 4.04Å; C2358-M2363 HydrophobicContact CB-CE 4.47Å; C2358-M2363 HydrophobicContact CB-CG 3.89Å; C2358-M2363 HydrophobicContact CB-SD 4.36Å; C2358-M2363 WeakPolarHBondContact O-CE 3.49Å; C2358-M2363 VanDerWaalsContact SG-CG 3.54Å; C2358-M2363 WeakPolarHBondContact SG-CG 3.47Å; C2358-M2363 PolarHBondContact SG-N 3.07Å; C2358-M2363 VanDerWaalsContact SG-N 3.41Å; S2359-M2363 WeakPolarHBondContact O-CB 3.3Å; S2359-M2363 WeakPolarHBondContact O-CG 3.45Å; S2359-M2363 PolarHBondContact O-N 3.29Å; R2360-M2363 HydrophobicContact CB-CE 4.37Å; R2360-M2363 PolarHBondContact O-N 3.18Å; K2361-M2363 VanDerWaalsContact C-N 3.33Å; K2361-M2363 PolarHBondContact O-N 2.84Å; M2363-S2365 PolarHBondContact O-N 3.13Å; M2363-T2366 PolarHBondContact O-N 2.96Å; M2363-F2367 HydrophobicContact CB-CD2 4.48Å; M2363-F2367 HydrophobicContact CB-CE2 4.24Å; M2363-F2367 HydrophobicContact CG-CD2 4.09Å; M2363-F2367 HydrophobicContact CG-CE1 4.21Å; M2363-F2367 HydrophobicContact CG-CE2 3.59Å; M2363-F2367 HydrophobicContact CG-CZ 3.65Å; M2363-F2367 WeakPolarHBondContact O-CB 3.44Å; M2363-F2367 WeakPolarHBondContact O-CD2 3.41Å; M2363-F2367 VanDerWaalsContact O-CG 3.28Å; M2363-F2367 WeakPolarHBondContact O-CG 3.28Å; M2363-F2367 PolarHBondContact O-N 3.21Å; M2363-F2367 HydrophobicContact SD-CE2 3.91Å; M2363-F2367 HydrophobicContact SD-CZ 4.01Å; M2363-I2925 HydrophobicContact CE-CD1 3.34Å; M2363-I2925 HydrophobicContact SD-CD1 3.55Å; M2363-I2925 VanDerWaalsContact SD-CD1 3.55Å; M2363-D2928 HydrophobicContact SD-CB 4.41Å; M2363-L2930 HydrophobicContact CB-CD1 4.46Å; M2363-L2930 HydrophobicContact CG-CD1 4.45Å; M2363-L2930 HydrophobicContact SD-CD1 4.39Å |
| 2364 | N | 90.2 | Very high | 82.1 | Confident | 75.8 Ų | 75.8 | 35.7 Ų | 35.7 | 41% | 0.405 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 177.6 | -128.2 | 46.1 | 0 | 0 | 0 | 111.8 | R2360 K2361 L2362 T2366 F2367 D2368 L2930 | R2360-N2364 WeakPolarHBondContact O-CB 3.35Å; R2360-N2364 PolarHBondContact O-N 3.17Å; R2360-N2364 VanDerWaalsContact O-N 3.13Å; R2360-N2364 PolarHBondContact O-OD1 3.19Å; K2361-N2364 PolarHBondContact O-N 2.84Å; L2362-N2364 VanDerWaalsContact C-N 3.34Å; L2362-N2364 PolarHBondContact O-N 3.21Å; N2364-T2366 VanDerWaalsContact C-N 3.27Å; N2364-T2366 PolarHBondContact O-N 3.26Å; N2364-F2367 PolarHBondContact O-N 3.26Å; N2364-D2368 PolarHBondContact ND2-OD2 3.35Å; N2364-D2368 VanDerWaalsContact O-CB 3.3Å; N2364-D2368 WeakPolarHBondContact O-CB 3.29Å; N2364-D2368 PolarHBondContact O-N 3.13Å; N2364-L2930 HydrophobicContact CB-CD1 3.8Å |
| 2365 | S | 90.8 | Very high | 83.7 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -32.9 | 178.7 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | C2196 K2361 L2362 M2363 D2368 F2369 | C2196-S2365 PolarHBondContact SG-OG 3.18Å; K2361-S2365 WeakPolarHBondContact O-CB 3.36Å; K2361-S2365 PolarHBondContact O-N 3.16Å; K2361-S2365 PolarHBondContact O-OG 3.2Å; L2362-S2365 PolarHBondContact O-N 3.15Å; M2363-S2365 PolarHBondContact O-N 3.13Å; S2365-D2368 WeakPolarHBondContact O-CB 3.45Å; S2365-F2369 WeakPolarHBondContact O-CB 3.3Å; S2365-F2369 PolarHBondContact O-N 3.2Å; S2365-F2369 VanDerWaalsContact O-N 3.09Å |
| 2366 | T | 92.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.5 | -45 | 175.9 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | L2199 L2294 L2298 L2299 L2362 M2363 N2364 D2368 F2369 L2370 | L2199-T2366 VanDerWaalsContact CD1-OG1 3.32Å; L2199-T2366 WeakPolarHBondContact CD1-OG1 3.28Å; L2294-T2366 HydrophobicContact CB-CG2 3.99Å; L2294-T2366 HydrophobicContact CD1-CG2 4.46Å; L2294-T2366 HydrophobicContact CD2-CG2 3.94Å; L2294-T2366 HydrophobicContact CG-CG2 4.37Å; L2298-T2366 HydrophobicContact CB-CG2 4.46Å; L2298-T2366 HydrophobicContact CD1-CG2 4.39Å; L2298-T2366 HydrophobicContact CD2-CG2 4.35Å; L2298-T2366 WeakPolarHBondContact CD2-OG1 3.33Å; L2299-T2366 HydrophobicContact CD1-CG2 3.71Å; L2299-T2366 HydrophobicContact CD2-CG2 4.09Å; L2299-T2366 HydrophobicContact CG-CG2 3.76Å; L2362-T2366 VanDerWaalsContact O-CB 3.31Å; L2362-T2366 WeakPolarHBondContact O-CB 3.25Å; L2362-T2366 PolarHBondContact O-N 3.21Å; L2362-T2366 PolarHBondContact O-OG1 3.09Å; M2363-T2366 PolarHBondContact O-N 2.96Å; N2364-T2366 VanDerWaalsContact C-N 3.27Å; N2364-T2366 PolarHBondContact O-N 3.26Å; T2366-D2368 VanDerWaalsContact C-N 3.31Å; T2366-D2368 PolarHBondContact O-N 3.07Å; T2366-F2369 PolarHBondContact O-N 3.03Å; T2366-L2370 HydrophobicContact CG2-CD1 4.05Å; T2366-L2370 HydrophobicContact CG2-CG 4.27Å; T2366-L2370 VanDerWaalsContact O-CB 3.31Å; T2366-L2370 WeakPolarHBondContact O-CB 3.4Å; T2366-L2370 VanDerWaalsContact O-CG 3.27Å; T2366-L2370 WeakPolarHBondContact O-CG 3.28Å; T2366-L2370 PolarHBondContact O-N 3.35Å |
| 2367 | F | 93.4 | Very high | 85.5 | Confident | 36.8 Ų | 36.8 | 39.4 Ų | 39.4 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 173.3 | -73.2 | -31.2 | 0 | 0 | 0 | 111.6 | L2299 F2300 M2363 N2364 F2369 L2370 L2371 L2930 L2931 F2934 | L2299-F2367 HydrophobicContact CD1-CD1 3.91Å; L2299-F2367 HydrophobicContact CD1-CE1 3.73Å; L2299-F2367 HydrophobicContact CD1-CZ 4.23Å; L2299-F2367 HydrophobicContact CD2-CD1 4.19Å; L2299-F2367 HydrophobicContact CD2-CD2 4.13Å; L2299-F2367 HydrophobicContact CD2-CE1 3.92Å; L2299-F2367 HydrophobicContact CD2-CE2 4.02Å; L2299-F2367 HydrophobicContact CD2-CG 4.28Å; L2299-F2367 HydrophobicContact CD2-CZ 4.02Å; L2299-F2367 HydrophobicContact CG-CE1 4.43Å; F2300-F2367 AromaticContact CZ-CE1 3.97Å; F2300-F2367 HydrophobicContact CZ-CE1 4.05Å; F2300-F2367 HydrophobicContact CZ-CZ 4.29Å; M2363-F2367 HydrophobicContact CB-CD2 4.48Å; M2363-F2367 HydrophobicContact CB-CE2 4.24Å; M2363-F2367 HydrophobicContact CG-CD2 4.09Å; M2363-F2367 HydrophobicContact CG-CE1 4.21Å; M2363-F2367 HydrophobicContact CG-CE2 3.59Å; M2363-F2367 HydrophobicContact CG-CZ 3.65Å; M2363-F2367 WeakPolarHBondContact O-CB 3.44Å; M2363-F2367 WeakPolarHBondContact O-CD2 3.41Å; M2363-F2367 VanDerWaalsContact O-CG 3.28Å; M2363-F2367 WeakPolarHBondContact O-CG 3.28Å; M2363-F2367 PolarHBondContact O-N 3.21Å; M2363-F2367 HydrophobicContact SD-CE2 3.91Å; M2363-F2367 HydrophobicContact SD-CZ 4.01Å; N2364-F2367 PolarHBondContact O-N 3.26Å; F2367-F2369 VanDerWaalsContact C-N 3.33Å; F2367-F2369 PolarHBondContact O-N 3.12Å; F2367-L2370 PolarHBondContact O-N 3.14Å; F2367-L2371 VanDerWaalsContact O-CB 3.24Å; F2367-L2371 WeakPolarHBondContact O-CB 3.39Å; F2367-L2371 VanDerWaalsContact O-CG 3.3Å; F2367-L2371 WeakPolarHBondContact O-CG 3.4Å; F2367-L2371 PolarHBondContact O-N 3.06Å; F2367-L2930 HydrophobicContact CD2-CB 4.18Å; F2367-L2930 HydrophobicContact CE2-CB 3.9Å; F2367-L2931 HydrophobicContact CZ-CD1 4.04Å; F2367-F2934 HydrophobicContact CB-CB 4.26Å; F2367-F2934 HydrophobicContact CB-CD2 3.46Å; F2367-F2934 VanDerWaalsContact CB-CD2 3.46Å; F2367-F2934 HydrophobicContact CB-CE2 3.97Å; F2367-F2934 HydrophobicContact CB-CG 3.97Å; F2367-F2934 HydrophobicContact CD1-CB 4.4Å; F2367-F2934 AromaticContact CD1-CD1 3.83Å; F2367-F2934 HydrophobicContact CD1-CD1 3.83Å; F2367-F2934 AromaticContact CD1-CD2 3.76Å; F2367-F2934 HydrophobicContact CD1-CD2 3.76Å; F2367-F2934 AromaticContact CD1-CE1 3.89Å; F2367-F2934 HydrophobicContact CD1-CE1 3.89Å; F2367-F2934 AromaticContact CD1-CE2 3.82Å; F2367-F2934 HydrophobicContact CD1-CE2 3.82Å; F2367-F2934 AromaticContact CD1-CG 3.75Å; F2367-F2934 HydrophobicContact CD1-CG 3.75Å; F2367-F2934 AromaticContact CD1-CZ 3.88Å; F2367-F2934 HydrophobicContact CD1-CZ 3.88Å; F2367-F2934 HydrophobicContact CD2-CB 3.67Å; F2367-F2934 HydrophobicContact CD2-CD1 4.41Å; F2367-F2934 HydrophobicContact CD2-CD2 4.26Å; F2367-F2934 AromaticContact CD2-CG 3.88Å; F2367-F2934 HydrophobicContact CD2-CG 3.88Å; F2367-F2934 AromaticContact CE1-CD1 3.83Å; F2367-F2934 HydrophobicContact CE1-CD1 3.83Å; F2367-F2934 AromaticContact CE1-CE1 3.92Å; F2367-F2934 HydrophobicContact CE1-CE1 3.92Å; F2367-F2934 HydrophobicContact CE1-CG 4.15Å; F2367-F2934 HydrophobicContact CE1-CZ 4.33Å; F2367-F2934 HydrophobicContact CE2-CB 4.05Å; F2367-F2934 HydrophobicContact CE2-CD1 4.4Å; F2367-F2934 HydrophobicContact CE2-CG 4.26Å; F2367-F2934 HydrophobicContact CG-CB 3.9Å; F2367-F2934 HydrophobicContact CG-CD1 4.14Å; F2367-F2934 AromaticContact CG-CD2 3.58Å; F2367-F2934 HydrophobicContact CG-CD2 3.58Å; F2367-F2934 HydrophobicContact CG-CE2 4.08Å; F2367-F2934 AromaticContact CG-CG 3.6Å; F2367-F2934 HydrophobicContact CG-CG 3.6Å; F2367-F2934 HydrophobicContact CZ-CD1 4.12Å; F2367-F2934 HydrophobicContact CZ-CG 4.4Å |
| 2368 | D | 91.1 | Very high | 86.1 | Confident | 64 Ų | 64 | 39.2 Ų | 39.2 | 34% | 0.342 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.8 | -45.7 | 175.5 | -103.3 | 7.2 | 0 | 0 | 0 | 112.7 | K2203 N2364 S2365 T2366 L2371 S2372 | K2203-D2368 HydrophobicContact CD-CB 4.07Å; K2203-D2368 WeakPolarHBondContact CE-O 3.46Å; K2203-D2368 IonicContact NZ-OD1 2.97Å; K2203-D2368 PolarHBondContact NZ-OD1 3.18Å; K2203-D2368 IonicContact NZ-OD2 3.4Å; K2203-D2368 PolarHBondContact NZ-OD2 3.05Å; N2364-D2368 PolarHBondContact ND2-OD2 3.35Å; N2364-D2368 VanDerWaalsContact O-CB 3.3Å; N2364-D2368 WeakPolarHBondContact O-CB 3.29Å; N2364-D2368 PolarHBondContact O-N 3.13Å; S2365-D2368 WeakPolarHBondContact O-CB 3.45Å; T2366-D2368 VanDerWaalsContact C-N 3.31Å; T2366-D2368 PolarHBondContact O-N 3.07Å; D2368-L2371 PolarHBondContact O-N 2.89Å; D2368-S2372 WeakPolarHBondContact O-CB 3.4Å; D2368-S2372 PolarHBondContact O-N 2.92Å; D2368-S2372 VanDerWaalsContact O-N 3.11Å; D2368-S2372 PolarHBondContact O-OG 3.05Å |
| 2369 | F | 92.1 | Very high | 86.4 | Confident | 3.8 Ų | 3.8 | 39.8 Ų | 39.8 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.2 | -45.1 | 178.4 | -179.9 | -122.5 | 0 | 0 | 0 | 111.9 | L2199 C2202 K2203 L2294 S2365 T2366 F2367 L2371 S2372 I2373 | L2199-F2369 HydrophobicContact CD2-CB 4.11Å; L2199-F2369 HydrophobicContact CD2-CD1 3.51Å; L2199-F2369 VanDerWaalsContact CD2-CD1 3.46Å; L2199-F2369 HydrophobicContact CD2-CE1 4.19Å; L2199-F2369 HydrophobicContact CD2-CG 4.01Å; C2202-F2369 HydrophobicContact CB-CD2 3.95Å; C2202-F2369 HydrophobicContact CB-CE1 4.34Å; C2202-F2369 HydrophobicContact CB-CE2 3.42Å; C2202-F2369 VanDerWaalsContact CB-CE2 3.44Å; C2202-F2369 HydrophobicContact CB-CZ 3.71Å; C2202-F2369 VanDerWaalsContact CB-CZ 3.46Å; K2203-F2369 HydrophobicContact CB-CB 4.47Å; K2203-F2369 HydrophobicContact CB-CD2 4.07Å; L2294-F2369 HydrophobicContact CD1-CD1 3.62Å; L2294-F2369 HydrophobicContact CD1-CE1 3.82Å; S2365-F2369 WeakPolarHBondContact O-CB 3.3Å; S2365-F2369 PolarHBondContact O-N 3.2Å; S2365-F2369 VanDerWaalsContact O-N 3.09Å; T2366-F2369 PolarHBondContact O-N 3.03Å; F2367-F2369 VanDerWaalsContact C-N 3.33Å; F2367-F2369 PolarHBondContact O-N 3.12Å; F2369-L2371 VanDerWaalsContact C-N 3.33Å; F2369-L2371 PolarHBondContact O-N 3.23Å; F2369-S2372 PolarHBondContact O-N 3.19Å; F2369-S2372 VanDerWaalsContact O-N 3.12Å; F2369-S2372 PolarHBondContact O-OG 3.35Å; F2369-I2373 HydrophobicContact CD1-CD1 4.07Å; F2369-I2373 HydrophobicContact CD2-CD1 4.16Å; F2369-I2373 HydrophobicContact CD2-CG1 4.33Å; F2369-I2373 HydrophobicContact CD2-CG2 4.03Å; F2369-I2373 HydrophobicContact CE1-CD1 4.16Å; F2369-I2373 HydrophobicContact CE1-CG2 4.25Å; F2369-I2373 HydrophobicContact CE2-CD1 3.67Å; F2369-I2373 HydrophobicContact CE2-CG1 4.03Å; F2369-I2373 HydrophobicContact CE2-CG2 3.49Å; F2369-I2373 VanDerWaalsContact CE2-CG2 3.48Å; F2369-I2373 HydrophobicContact CG-CD1 4.35Å; F2369-I2373 HydrophobicContact CZ-CD1 3.95Å; F2369-I2373 VanDerWaalsContact CZ-CD1 3.41Å; F2369-I2373 HydrophobicContact CZ-CG1 4.28Å; F2369-I2373 HydrophobicContact CZ-CG2 3.62Å; F2369-I2373 WeakPolarHBondContact O-CG1 3.31Å; F2369-I2373 PolarHBondContact O-N 3.13Å |
| 2370 | L | 91.8 | Very high | 86.6 | Confident | 1.8 Ų | 1.8 | 37.7 Ų | 37.7 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.1 | -41.4 | 175.9 | -88.6 | 162.9 | 0 | 0 | 0 | 111.9 | V2291 L2294 V2295 L2299 T2366 F2367 I2373 T2374 L2384 F2934 | V2291-L2370 HydrophobicContact CB-CD2 4.39Å; V2291-L2370 HydrophobicContact CG1-CD1 4.14Å; V2291-L2370 HydrophobicContact CG1-CD2 4.22Å; V2291-L2370 HydrophobicContact CG2-CD1 4.44Å; V2291-L2370 HydrophobicContact CG2-CD2 4.25Å; L2294-L2370 HydrophobicContact CB-CD2 4.3Å; L2294-L2370 HydrophobicContact CD1-CD2 4.11Å; L2294-L2370 HydrophobicContact CD1-CG 4.45Å; V2295-L2370 HydrophobicContact CG2-CD1 4.03Å; V2295-L2370 HydrophobicContact CG2-CD2 4.26Å; L2299-L2370 HydrophobicContact CD1-CD1 3.52Å; L2299-L2370 VanDerWaalsContact CD1-CD1 3.47Å; L2299-L2370 HydrophobicContact CD1-CD2 3.69Å; T2366-L2370 HydrophobicContact CG2-CD1 4.05Å; T2366-L2370 HydrophobicContact CG2-CG 4.27Å; T2366-L2370 VanDerWaalsContact O-CB 3.31Å; T2366-L2370 WeakPolarHBondContact O-CB 3.4Å; T2366-L2370 VanDerWaalsContact O-CG 3.27Å; T2366-L2370 WeakPolarHBondContact O-CG 3.28Å; T2366-L2370 PolarHBondContact O-N 3.35Å; F2367-L2370 PolarHBondContact O-N 3.14Å; L2370-I2373 HydrophobicContact CD1-CD1 4.37Å; L2370-I2373 HydrophobicContact CD2-CD1 4Å; L2370-I2373 VanDerWaalsContact O-CG1 3.27Å; L2370-I2373 WeakPolarHBondContact O-CG1 3.38Å; L2370-I2373 PolarHBondContact O-N 3.44Å; L2370-T2374 WeakPolarHBondContact O-CB 3.36Å; L2370-T2374 WeakPolarHBondContact O-CG2 3.38Å; L2370-T2374 PolarHBondContact O-N 3.13Å; L2370-T2374 PolarHBondContact O-OG1 3.11Å; L2370-L2384 HydrophobicContact CB-CD2 4.02Å; L2370-L2384 HydrophobicContact CD1-CD1 4.12Å; L2370-L2384 HydrophobicContact CD1-CD2 4.19Å; L2370-L2384 HydrophobicContact CD2-CD1 4.31Å; L2370-L2384 HydrophobicContact CD2-CD2 4.23Å; L2370-L2384 HydrophobicContact CG-CD1 4.45Å; L2370-L2384 HydrophobicContact CG-CD2 4.03Å; L2370-F2934 HydrophobicContact CB-CE2 4.09Å; L2370-F2934 HydrophobicContact CB-CZ 4.39Å; L2370-F2934 HydrophobicContact CD1-CZ 4.3Å |
| 2371 | L | 91.3 | Very high | 86.8 | Confident | 39.6 Ų | 39.6 | 33.2 Ų | 33.2 | 21% | 0.207 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 173.5 | -112.5 | 132.7 | 0 | 0 | 0 | 111.2 | F2367 D2368 F2369 I2373 T2374 I2375 F2934 N2937 L2938 N2941 | F2367-L2371 VanDerWaalsContact O-CB 3.24Å; F2367-L2371 WeakPolarHBondContact O-CB 3.39Å; F2367-L2371 VanDerWaalsContact O-CG 3.3Å; F2367-L2371 WeakPolarHBondContact O-CG 3.4Å; F2367-L2371 PolarHBondContact O-N 3.06Å; D2368-L2371 PolarHBondContact O-N 2.89Å; F2369-L2371 VanDerWaalsContact C-N 3.33Å; F2369-L2371 PolarHBondContact O-N 3.23Å; L2371-I2373 VanDerWaalsContact C-N 3.31Å; L2371-I2373 PolarHBondContact O-N 3.05Å; L2371-T2374 WeakPolarHBondContact CA-OG1 3.11Å; L2371-T2374 PolarHBondContact O-N 3.18Å; L2371-T2374 VanDerWaalsContact O-N 3.11Å; L2371-T2374 PolarHBondContact O-OG1 2.95Å; L2371-I2375 HydrophobicContact CD1-CD1 3.81Å; L2371-I2375 HydrophobicContact CD1-CG1 3.8Å; L2371-I2375 HydrophobicContact CD2-CD1 4.31Å; L2371-I2375 HydrophobicContact CG-CD1 3.72Å; L2371-I2375 HydrophobicContact CG-CG1 4.2Å; L2371-I2375 WeakPolarHBondContact O-CD1 3.37Å; L2371-I2375 VanDerWaalsContact O-CG1 3.23Å; L2371-I2375 WeakPolarHBondContact O-CG1 3.48Å; L2371-I2375 PolarHBondContact O-N 3.17Å; L2371-F2934 HydrophobicContact CD1-CD2 3.97Å; L2371-F2934 HydrophobicContact CD2-CD2 4.03Å; L2371-F2934 HydrophobicContact CD2-CE2 4.13Å; L2371-F2934 HydrophobicContact CG-CD2 3.73Å; L2371-F2934 HydrophobicContact CG-CE2 3.89Å; L2371-N2937 HydrophobicContact CD1-CB 3.79Å; L2371-N2937 HydrophobicContact CD2-CB 3.88Å; L2371-N2937 HydrophobicContact CG-CB 4.48Å; L2371-L2938 HydrophobicContact CD2-CB 3.9Å; L2371-N2941 PolarHBondContact O-ND2 3.05Å |
| 2372 | S | 86.9 | Confident | 86.8 | Confident | 8 Ų | 8 | 30 Ų | 30 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 179.2 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | K2203 Y2206 D2368 F2369 T2374 I2375 | K2203-S2372 VanDerWaalsContact CE-OG 3.3Å; K2203-S2372 WeakPolarHBondContact CE-OG 3.38Å; K2203-S2372 WeakPolarHBondContact CG-OG 3.43Å; Y2206-S2372 VanDerWaalsContact CE1-O 3.26Å; Y2206-S2372 WeakPolarHBondContact CE1-O 3.45Å; D2368-S2372 WeakPolarHBondContact O-CB 3.4Å; D2368-S2372 PolarHBondContact O-N 2.92Å; D2368-S2372 VanDerWaalsContact O-N 3.11Å; D2368-S2372 PolarHBondContact O-OG 3.05Å; F2369-S2372 PolarHBondContact O-N 3.19Å; F2369-S2372 VanDerWaalsContact O-N 3.12Å; F2369-S2372 PolarHBondContact O-OG 3.35Å; S2372-T2374 PolarHBondContact O-N 3.2Å; S2372-I2375 VanDerWaalsContact O-CB 3.31Å; S2372-I2375 WeakPolarHBondContact O-CB 3.34Å; S2372-I2375 PolarHBondContact O-N 3.1Å; S2372-I2375 VanDerWaalsContact O-N 3.09Å |
| 2373 | I | 86.1 | Confident | 86.7 | Confident | 6.2 Ų | 6.2 | 31.3 Ų | 31.3 | 3% | 0.032 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.9 | -14.5 | 178.6 | 57.7 | 179.4 | 0 | 0 | 0 | 114.2 | Y2206 V2291 L2294 F2369 L2370 L2371 N2377 N2380 | Y2206-I2373 HydrophobicContact CD1-CG1 4.37Å; Y2206-I2373 HydrophobicContact CD1-CG2 4.2Å; Y2206-I2373 HydrophobicContact CD2-CG2 4.23Å; Y2206-I2373 VanDerWaalsContact CE1-CA 3.48Å; Y2206-I2373 HydrophobicContact CE1-CB 4.4Å; Y2206-I2373 HydrophobicContact CE1-CG1 4.26Å; Y2206-I2373 HydrophobicContact CE1-CG2 4.22Å; Y2206-I2373 HydrophobicContact CE2-CG2 4.25Å; Y2206-I2373 HydrophobicContact CG-CG2 4.22Å; Y2206-I2373 PolarHBondContact OH-O 3.39Å; Y2206-I2373 VanDerWaalsContact OH-O 3.14Å; V2291-I2373 HydrophobicContact CG2-CD1 3.62Å; V2291-I2373 HydrophobicContact CG2-CG1 4.3Å; V2291-I2373 HydrophobicContact CG2-CG2 4.07Å; L2294-I2373 HydrophobicContact CD1-CD1 4.44Å; F2369-I2373 HydrophobicContact CD1-CD1 4.07Å; F2369-I2373 HydrophobicContact CD2-CD1 4.16Å; F2369-I2373 HydrophobicContact CD2-CG1 4.33Å; F2369-I2373 HydrophobicContact CD2-CG2 4.03Å; F2369-I2373 HydrophobicContact CE1-CD1 4.16Å; F2369-I2373 HydrophobicContact CE1-CG2 4.25Å; F2369-I2373 HydrophobicContact CE2-CD1 3.67Å; F2369-I2373 HydrophobicContact CE2-CG1 4.03Å; F2369-I2373 HydrophobicContact CE2-CG2 3.49Å; F2369-I2373 VanDerWaalsContact CE2-CG2 3.48Å; F2369-I2373 HydrophobicContact CG-CD1 4.35Å; F2369-I2373 HydrophobicContact CZ-CD1 3.95Å; F2369-I2373 VanDerWaalsContact CZ-CD1 3.41Å; F2369-I2373 HydrophobicContact CZ-CG1 4.28Å; F2369-I2373 HydrophobicContact CZ-CG2 3.62Å; F2369-I2373 WeakPolarHBondContact O-CG1 3.31Å; F2369-I2373 PolarHBondContact O-N 3.13Å; L2370-I2373 HydrophobicContact CD1-CD1 4.37Å; L2370-I2373 HydrophobicContact CD2-CD1 4Å; L2370-I2373 VanDerWaalsContact O-CG1 3.27Å; L2370-I2373 WeakPolarHBondContact O-CG1 3.38Å; L2370-I2373 PolarHBondContact O-N 3.44Å; L2371-I2373 VanDerWaalsContact C-N 3.31Å; L2371-I2373 PolarHBondContact O-N 3.05Å; I2373-N2377 WeakPolarHBondContact O-CB 3.36Å; I2373-N2380 HydrophobicContact CG2-CB 3.69Å; I2373-N2380 WeakPolarHBondContact CG2-ND2 3.27Å; I2373-N2380 WeakPolarHBondContact O-CB 3.36Å; I2373-N2380 PolarHBondContact O-ND2 3.24Å |
| 2374 | T | 86 | Confident | 86.7 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -90.6 | -22.3 | 173.7 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | L2370 L2371 S2372 R2376 N2377 N2380 L2384 L2938 N2941 | L2370-T2374 WeakPolarHBondContact O-CB 3.36Å; L2370-T2374 WeakPolarHBondContact O-CG2 3.38Å; L2370-T2374 PolarHBondContact O-N 3.13Å; L2370-T2374 PolarHBondContact O-OG1 3.11Å; L2371-T2374 WeakPolarHBondContact CA-OG1 3.11Å; L2371-T2374 PolarHBondContact O-N 3.18Å; L2371-T2374 VanDerWaalsContact O-N 3.11Å; L2371-T2374 PolarHBondContact O-OG1 2.95Å; S2372-T2374 PolarHBondContact O-N 3.2Å; T2374-R2376 VanDerWaalsContact C-N 3.26Å; T2374-R2376 PolarHBondContact O-N 3.17Å; T2374-N2377 PolarHBondContact O-N 3.12Å; T2374-N2377 VanDerWaalsContact O-N 3.11Å; T2374-N2380 HydrophobicContact CG2-CB 4.03Å; T2374-L2384 HydrophobicContact CG2-CB 4.34Å; T2374-L2384 HydrophobicContact CG2-CD2 3.81Å; T2374-L2938 HydrophobicContact CG2-CD1 3.9Å; T2374-N2941 PolarHBondContact OG1-ND2 2.87Å |
| 2375 | I | 81.4 | Confident | 86.6 | Confident | 65.2 Ų | 65.2 | 28.1 Ų | 28.1 | 33% | 0.334 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 89.2 | -179.9 | -68.6 | 171.5 | 0 | 0 | 0 | 110.7 | L2210 L2371 S2372 N2377 | L2210-I2375 HydrophobicContact CD1-CB 4.31Å; L2210-I2375 HydrophobicContact CD1-CG2 4.19Å; L2371-I2375 HydrophobicContact CD1-CD1 3.81Å; L2371-I2375 HydrophobicContact CD1-CG1 3.8Å; L2371-I2375 HydrophobicContact CD2-CD1 4.31Å; L2371-I2375 HydrophobicContact CG-CD1 3.72Å; L2371-I2375 HydrophobicContact CG-CG1 4.2Å; L2371-I2375 WeakPolarHBondContact O-CD1 3.37Å; L2371-I2375 VanDerWaalsContact O-CG1 3.23Å; L2371-I2375 WeakPolarHBondContact O-CG1 3.48Å; L2371-I2375 PolarHBondContact O-N 3.17Å; S2372-I2375 VanDerWaalsContact O-CB 3.31Å; S2372-I2375 WeakPolarHBondContact O-CB 3.34Å; S2372-I2375 PolarHBondContact O-N 3.1Å; S2372-I2375 VanDerWaalsContact O-N 3.09Å; I2375-N2377 PolarHBondContact O-N 3.23Å; I2375-N2377 VanDerWaalsContact O-N 3.08Å |
| 2376 | R | 74.4 | Confident | 86.4 | Confident | 131.4 Ų | 131.4 | 29.3 Ų | 29.3 | 50% | 0.496 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 8.2 | -178 | -57.8 | -174.8 | -172 | 158.9 | 8.8 | 115.5 | L2210 D2211 L2220 T2374 | L2210-R2376 HydrophobicContact CD1-CB 4.06Å; L2210-R2376 HydrophobicContact CD1-CG 4.08Å; L2210-R2376 HydrophobicContact CD2-CB 4.22Å; L2210-R2376 PolarHBondContact O-NH1 3.07Å; D2211-R2376 IonicContact OD1-CZ 2.82Å; D2211-R2376 VanDerWaalsContact OD1-CZ 3.24Å; D2211-R2376 IonicContact OD1-NH1 3.28Å; D2211-R2376 PolarHBondContact OD1-NH1 3.18Å; D2211-R2376 IonicContact OD1-NH2 2.99Å; D2211-R2376 PolarHBondContact OD1-NH2 3.11Å; L2220-R2376 VanDerWaalsContact CD1-O 3.3Å; L2220-R2376 WeakPolarHBondContact CD1-O 3.39Å; T2374-R2376 VanDerWaalsContact C-N 3.26Å; T2374-R2376 PolarHBondContact O-N 3.17Å |
| 2377 | N | 79.5 | Confident | 86.1 | Confident | 4.4 Ų | 4.4 | 29.9 Ų | 29.9 | 2% | 0.024 | 15% | 0.152 | C | C | . | . | trans | -120.5 | 104.8 | 178.9 | -174.6 | -28.1 | 0 | 0 | 0 | 111.6 | L2220 I2373 T2374 I2375 L2379 N2380 S2381 | L2220-N2377 HydrophobicContact CD1-CB 4.26Å; L2220-N2377 VanDerWaalsContact CD1-ND2 3.26Å; L2220-N2377 WeakPolarHBondContact CD1-ND2 3.31Å; L2220-N2377 HydrophobicContact CD2-CB 4.17Å; L2220-N2377 VanDerWaalsContact CD2-ND2 3.26Å; L2220-N2377 WeakPolarHBondContact CD2-ND2 3.33Å; I2373-N2377 WeakPolarHBondContact O-CB 3.36Å; T2374-N2377 PolarHBondContact O-N 3.12Å; T2374-N2377 VanDerWaalsContact O-N 3.11Å; I2375-N2377 PolarHBondContact O-N 3.23Å; I2375-N2377 VanDerWaalsContact O-N 3.08Å; N2377-L2379 VanDerWaalsContact C-N 3.35Å; N2377-L2379 PolarHBondContact O-N 2.91Å; N2377-L2379 WeakPolarHBondContact OD1-CB 3.49Å; N2377-L2379 PolarHBondContact OD1-N 3.11Å; N2377-L2379 VanDerWaalsContact OD1-N 3.09Å; N2377-N2380 HydrophobicContact CB-CB 4.19Å; N2377-N2380 VanDerWaalsContact CG-ND2 3.3Å; N2377-N2380 VanDerWaalsContact ND2-CG 3.3Å; N2377-N2380 PolarHBondContact ND2-ND2 3.19Å; N2377-N2380 VanDerWaalsContact ND2-ND2 3.16Å; N2377-N2380 PolarHBondContact ND2-OD1 2.99Å; N2377-N2380 PolarHBondContact OD1-N 3.18Å; N2377-N2380 VanDerWaalsContact OD1-N 3.08Å; N2377-S2381 VanDerWaalsContact O-CB 3.27Å; N2377-S2381 WeakPolarHBondContact O-CB 3.32Å; N2377-S2381 PolarHBondContact O-N 3.15Å; N2377-S2381 VanDerWaalsContact O-N 3.11Å | ||
| 2378 | P | 80.2 | Confident | 85.8 | Confident | 47.2 Ų | 47.2 | 28.9 Ų | 28.9 | 31% | 0.306 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -70.5 | -29.1 | -177.4 | 30 | -36.1 | 0 | 0 | 0 | 113.4 | S2381 Q2382 Y2953 | P2378-S2381 PolarHBondContact O-N 3.16Å; P2378-Q2382 VanDerWaalsContact O-CB 3.28Å; P2378-Q2382 WeakPolarHBondContact O-CB 3.4Å; P2378-Q2382 PolarHBondContact O-N 3.16Å; P2378-Y2953 HydrophobicContact CB-CD1 3.67Å; P2378-Y2953 HydrophobicContact CB-CE1 3.36Å; P2378-Y2953 HydrophobicContact CB-CG 4.39Å; P2378-Y2953 HydrophobicContact CG-CD1 4.31Å; P2378-Y2953 HydrophobicContact CG-CE1 3.49Å; P2378-Y2953 VanDerWaalsContact CG-CE1 3.46Å |
| 2379 | L | 80.6 | Confident | 85.5 | Confident | 29 Ų | 29 | 29.7 Ų | 29.7 | 15% | 0.152 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.7 | -47 | 179.7 | -65.3 | 174.5 | 0 | 0 | 0 | 110.9 | L2220 F2230 M2233 L2284 L2288 N2377 S2381 Q2382 L2383 | L2220-L2379 HydrophobicContact CD2-CD1 3.98Å; F2230-L2379 HydrophobicContact CD2-CD2 4.26Å; F2230-L2379 HydrophobicContact CE1-CD2 4.41Å; F2230-L2379 HydrophobicContact CE2-CD1 4.14Å; F2230-L2379 HydrophobicContact CE2-CD2 4.14Å; F2230-L2379 HydrophobicContact CE2-CG 4.46Å; F2230-L2379 HydrophobicContact CZ-CD1 4.47Å; F2230-L2379 HydrophobicContact CZ-CD2 4.03Å; F2230-L2379 HydrophobicContact CZ-CG 4.41Å; M2233-L2379 HydrophobicContact CB-CD1 4.46Å; M2233-L2379 HydrophobicContact CE-CB 4.34Å; M2233-L2379 HydrophobicContact CE-CD1 4.25Å; M2233-L2379 HydrophobicContact CE-CD2 3.93Å; M2233-L2379 HydrophobicContact CE-CG 4.41Å; M2233-L2379 HydrophobicContact SD-CD1 4.05Å; M2233-L2379 HydrophobicContact SD-CD2 3.99Å; M2233-L2379 HydrophobicContact SD-CG 4.44Å; L2284-L2379 HydrophobicContact CD1-CD1 4.47Å; L2284-L2379 HydrophobicContact CD2-CD1 4.19Å; L2288-L2379 HydrophobicContact CD2-CB 4.37Å; N2377-L2379 VanDerWaalsContact C-N 3.35Å; N2377-L2379 PolarHBondContact O-N 2.91Å; N2377-L2379 WeakPolarHBondContact OD1-CB 3.49Å; N2377-L2379 PolarHBondContact OD1-N 3.11Å; N2377-L2379 VanDerWaalsContact OD1-N 3.09Å; L2379-S2381 VanDerWaalsContact C-N 3.31Å; L2379-S2381 PolarHBondContact O-N 3.12Å; L2379-Q2382 PolarHBondContact O-N 3.07Å; L2379-L2383 VanDerWaalsContact O-CB 3.29Å; L2379-L2383 WeakPolarHBondContact O-CB 3.42Å; L2379-L2383 PolarHBondContact O-N 3.22Å |
| 2380 | N | 83.9 | Confident | 84.9 | Confident | 1.2 Ų | 1.2 | 32.4 Ų | 32.4 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 173.8 | -74 | -10.6 | 0 | 0 | 0 | 111.3 | Q2287 L2288 V2291 I2373 T2374 N2377 L2383 L2384 | Q2287-N2380 PolarHBondContact OE1-ND2 2.98Å; L2288-N2380 VanDerWaalsContact CD2-OD1 3.28Å; L2288-N2380 WeakPolarHBondContact CD2-OD1 3.4Å; V2291-N2380 HydrophobicContact CG2-CB 4.28Å; I2373-N2380 HydrophobicContact CG2-CB 3.69Å; I2373-N2380 WeakPolarHBondContact CG2-ND2 3.27Å; I2373-N2380 WeakPolarHBondContact O-CB 3.36Å; I2373-N2380 PolarHBondContact O-ND2 3.24Å; T2374-N2380 HydrophobicContact CG2-CB 4.03Å; N2377-N2380 HydrophobicContact CB-CB 4.19Å; N2377-N2380 VanDerWaalsContact CG-ND2 3.3Å; N2377-N2380 VanDerWaalsContact ND2-CG 3.3Å; N2377-N2380 PolarHBondContact ND2-ND2 3.19Å; N2377-N2380 VanDerWaalsContact ND2-ND2 3.16Å; N2377-N2380 PolarHBondContact ND2-OD1 2.99Å; N2377-N2380 PolarHBondContact OD1-N 3.18Å; N2377-N2380 VanDerWaalsContact OD1-N 3.08Å; N2380-L2383 PolarHBondContact O-N 2.9Å; N2380-L2384 VanDerWaalsContact O-CB 3.25Å; N2380-L2384 WeakPolarHBondContact O-CB 3.35Å; N2380-L2384 PolarHBondContact O-N 2.97Å |
| 2381 | S | 86.3 | Confident | 84.3 | Confident | 12.2 Ų | 12.2 | 33.3 Ų | 33.3 | 9% | 0.085 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.3 | 175.4 | 0 | 0 | 0 | 0 | 112 | N2377 P2378 L2379 L2383 L2384 T2385 N2942 L2956 | N2377-S2381 VanDerWaalsContact O-CB 3.27Å; N2377-S2381 WeakPolarHBondContact O-CB 3.32Å; N2377-S2381 PolarHBondContact O-N 3.15Å; N2377-S2381 VanDerWaalsContact O-N 3.11Å; P2378-S2381 PolarHBondContact O-N 3.16Å; L2379-S2381 VanDerWaalsContact C-N 3.31Å; L2379-S2381 PolarHBondContact O-N 3.12Å; S2381-L2383 PolarHBondContact O-N 3.4Å; S2381-L2384 PolarHBondContact O-N 3.18Å; S2381-T2385 VanDerWaalsContact O-CB 3.28Å; S2381-T2385 WeakPolarHBondContact O-CB 3.36Å; S2381-T2385 PolarHBondContact O-N 3.2Å; S2381-T2385 PolarHBondContact O-OG1 3.16Å; S2381-N2942 VanDerWaalsContact OG-CG 3.28Å; S2381-N2942 PolarHBondContact OG-OD1 3.14Å; S2381-L2956 VanDerWaalsContact OG-CD1 3.26Å; S2381-L2956 WeakPolarHBondContact OG-CD1 3.44Å; S2381-L2956 WeakPolarHBondContact OG-CD2 3.44Å |
| 2382 | Q | 86.2 | Confident | 83.6 | Confident | 57.4 Ų | 57.4 | 33.1 Ų | 33.1 | 27% | 0.268 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 177.5 | -174.6 | 175.4 | -25.7 | 0 | 0 | 111.9 | F2230 P2378 L2379 T2385 T2386 L2956 I2959 | F2230-Q2382 HydrophobicContact CE2-CG 4.15Å; F2230-Q2382 HydrophobicContact CZ-CG 4.1Å; P2378-Q2382 VanDerWaalsContact O-CB 3.28Å; P2378-Q2382 WeakPolarHBondContact O-CB 3.4Å; P2378-Q2382 PolarHBondContact O-N 3.16Å; L2379-Q2382 PolarHBondContact O-N 3.07Å; Q2382-T2385 PolarHBondContact O-N 3.16Å; Q2382-T2386 WeakPolarHBondContact O-CB 3.35Å; Q2382-T2386 PolarHBondContact O-N 3.29Å; Q2382-T2386 PolarHBondContact O-OG1 3.27Å; Q2382-L2956 HydrophobicContact CB-CD1 4.24Å; Q2382-I2959 HydrophobicContact CG-CD1 4.04Å |
| 2383 | L | 86.5 | Confident | 82.7 | Confident | 26.2 Ų | 26.2 | 34.8 Ų | 34.8 | 14% | 0.137 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -53.6 | 175.8 | 177.4 | 60.8 | 0 | 0 | 0 | 110.9 | M2233 I2240 F2243 I2247 L2288 V2291 L2379 N2380 S2381 T2385 T2386 M2387 | M2233-L2383 HydrophobicContact CE-CD2 4.41Å; I2240-L2383 HydrophobicContact CG2-CD1 4.35Å; F2243-L2383 HydrophobicContact CE1-CD1 4.21Å; I2247-L2383 HydrophobicContact CD1-CB 4.32Å; I2247-L2383 HydrophobicContact CD1-CD1 3.59Å; L2288-L2383 HydrophobicContact CB-CD2 4.3Å; L2288-L2383 HydrophobicContact CD2-CB 4.45Å; L2288-L2383 HydrophobicContact CD2-CD2 3.83Å; L2288-L2383 WeakPolarHBondContact O-CD2 3.36Å; V2291-L2383 HydrophobicContact CB-CD2 4.07Å; V2291-L2383 HydrophobicContact CG1-CD2 4.11Å; V2291-L2383 HydrophobicContact CG1-CG 4.3Å; L2379-L2383 VanDerWaalsContact O-CB 3.29Å; L2379-L2383 WeakPolarHBondContact O-CB 3.42Å; L2379-L2383 PolarHBondContact O-N 3.22Å; N2380-L2383 PolarHBondContact O-N 2.9Å; S2381-L2383 PolarHBondContact O-N 3.4Å; L2383-T2385 VanDerWaalsContact C-N 3.31Å; L2383-T2385 PolarHBondContact O-N 3.07Å; L2383-T2386 PolarHBondContact O-N 3.22Å; L2383-M2387 HydrophobicContact CD1-CG 4.05Å; L2383-M2387 HydrophobicContact CD1-SD 3.93Å; L2383-M2387 HydrophobicContact CG-CG 4.45Å; L2383-M2387 HydrophobicContact CG-SD 4.03Å; L2383-M2387 VanDerWaalsContact O-CG 3.3Å; L2383-M2387 WeakPolarHBondContact O-CG 3.43Å; L2383-M2387 PolarHBondContact O-N 3.18Å |
| 2384 | L | 89.5 | Confident | 81.5 | Confident | 7.8 Ų | 7.8 | 36.3 Ų | 36.3 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 180 | 178.7 | 60.6 | 0 | 0 | 0 | 111.9 | V2291 V2295 L2370 T2374 N2380 S2381 T2386 M2387 L2388 F2934 L2938 | V2291-L2384 HydrophobicContact CG1-CB 4.25Å; V2291-L2384 HydrophobicContact CG1-CD1 4.46Å; V2295-L2384 HydrophobicContact CG2-CD1 3.55Å; V2295-L2384 VanDerWaalsContact CG2-CD1 3.49Å; L2370-L2384 HydrophobicContact CB-CD2 4.02Å; L2370-L2384 HydrophobicContact CD1-CD1 4.12Å; L2370-L2384 HydrophobicContact CD1-CD2 4.19Å; L2370-L2384 HydrophobicContact CD2-CD1 4.31Å; L2370-L2384 HydrophobicContact CD2-CD2 4.23Å; L2370-L2384 HydrophobicContact CG-CD1 4.45Å; L2370-L2384 HydrophobicContact CG-CD2 4.03Å; T2374-L2384 HydrophobicContact CG2-CB 4.34Å; T2374-L2384 HydrophobicContact CG2-CD2 3.81Å; N2380-L2384 VanDerWaalsContact O-CB 3.25Å; N2380-L2384 WeakPolarHBondContact O-CB 3.35Å; N2380-L2384 PolarHBondContact O-N 2.97Å; S2381-L2384 PolarHBondContact O-N 3.18Å; L2384-T2386 VanDerWaalsContact C-N 3.34Å; L2384-T2386 PolarHBondContact O-N 3.12Å; L2384-M2387 PolarHBondContact O-N 3.1Å; L2384-L2388 HydrophobicContact CD1-CD1 3.87Å; L2384-L2388 HydrophobicContact CD1-CD2 4.49Å; L2384-L2388 HydrophobicContact CD1-CG 3.99Å; L2384-L2388 HydrophobicContact CG-CD1 3.85Å; L2384-L2388 HydrophobicContact CG-CG 4.39Å; L2384-L2388 WeakPolarHBondContact O-CB 3.4Å; L2384-L2388 VanDerWaalsContact O-CG 3.27Å; L2384-L2388 WeakPolarHBondContact O-CG 3.41Å; L2384-L2388 PolarHBondContact O-N 3.23Å; L2384-F2934 HydrophobicContact CD1-CZ 4.45Å; L2384-F2934 HydrophobicContact CD2-CZ 4.17Å; L2384-L2938 HydrophobicContact CD2-CD1 3.97Å; L2384-L2938 HydrophobicContact CD2-CD2 4.21Å; L2384-L2938 HydrophobicContact CG-CD2 4.19Å |
| 2385 | T | 88.5 | Confident | 79.8 | Confident | 27 Ų | 27 | 38.7 Ų | 38.7 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 179.1 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | S2381 Q2382 L2383 Y2389 N2942 I2959 L2963 | S2381-T2385 VanDerWaalsContact O-CB 3.28Å; S2381-T2385 WeakPolarHBondContact O-CB 3.36Å; S2381-T2385 PolarHBondContact O-N 3.2Å; S2381-T2385 PolarHBondContact O-OG1 3.16Å; Q2382-T2385 PolarHBondContact O-N 3.16Å; L2383-T2385 VanDerWaalsContact C-N 3.31Å; L2383-T2385 PolarHBondContact O-N 3.07Å; T2385-Y2389 WeakPolarHBondContact O-CB 3.41Å; T2385-Y2389 PolarHBondContact O-N 3.21Å; T2385-N2942 PolarHBondContact OG1-ND2 3.17Å; T2385-I2959 HydrophobicContact CG2-CG2 3.81Å; T2385-L2963 HydrophobicContact CG2-CB 4.21Å; T2385-L2963 HydrophobicContact CG2-CD2 3.62Å |
| 2386 | T | 86.3 | Confident | 78.3 | Confident | 39.4 Ų | 39.4 | 39.7 Ų | 39.7 | 24% | 0.242 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.4 | -46.8 | 175.5 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | P2244 I2247 Q2382 L2383 L2384 L2388 Y2389 D2390 | P2244-T2386 HydrophobicContact CB-CG2 4.06Å; P2244-T2386 HydrophobicContact CG-CG2 4.44Å; I2247-T2386 HydrophobicContact CD1-CG2 4.41Å; I2247-T2386 HydrophobicContact CG1-CG2 4.44Å; Q2382-T2386 WeakPolarHBondContact O-CB 3.35Å; Q2382-T2386 PolarHBondContact O-N 3.29Å; Q2382-T2386 PolarHBondContact O-OG1 3.27Å; L2383-T2386 PolarHBondContact O-N 3.22Å; L2384-T2386 VanDerWaalsContact C-N 3.34Å; L2384-T2386 PolarHBondContact O-N 3.12Å; T2386-L2388 PolarHBondContact O-N 2.88Å; T2386-Y2389 WeakPolarHBondContact O-CB 3.33Å; T2386-Y2389 PolarHBondContact O-N 3.06Å; T2386-D2390 WeakPolarHBondContact O-CB 3.23Å; T2386-D2390 PolarHBondContact O-N 3.18Å |
| 2387 | M | 86.7 | Confident | 76.9 | Confident | 13.8 Ų | 13.8 | 35.2 Ų | 35.2 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 179.3 | -69.1 | -177.2 | 75.6 | 0 | 0 | 112.4 | K2292 V2295 E2296 L2383 L2384 Y2389 D2390 L2391 | K2292-M2387 HydrophobicContact CB-CE 4.29Å; K2292-M2387 HydrophobicContact CB-SD 4.29Å; K2292-M2387 HydrophobicContact CG-CE 3.78Å; K2292-M2387 HydrophobicContact CG-SD 4.33Å; V2295-M2387 HydrophobicContact CB-CE 3.84Å; V2295-M2387 HydrophobicContact CB-SD 4.36Å; V2295-M2387 HydrophobicContact CG1-CB 4.06Å; V2295-M2387 HydrophobicContact CG1-CE 3.69Å; V2295-M2387 HydrophobicContact CG1-SD 4.32Å; E2296-M2387 HydrophobicContact CB-CE 4.45Å; E2296-M2387 HydrophobicContact CG-CE 3.61Å; E2296-M2387 WeakPolarHBondContact OE1-CE 3.39Å; L2383-M2387 HydrophobicContact CD1-CG 4.05Å; L2383-M2387 HydrophobicContact CD1-SD 3.93Å; L2383-M2387 HydrophobicContact CG-CG 4.45Å; L2383-M2387 HydrophobicContact CG-SD 4.03Å; L2383-M2387 VanDerWaalsContact O-CG 3.3Å; L2383-M2387 WeakPolarHBondContact O-CG 3.43Å; L2383-M2387 PolarHBondContact O-N 3.18Å; L2384-M2387 PolarHBondContact O-N 3.1Å; M2387-Y2389 VanDerWaalsContact C-N 3.29Å; M2387-Y2389 PolarHBondContact O-N 3.03Å; M2387-D2390 PolarHBondContact O-N 3.18Å; M2387-L2391 HydrophobicContact CB-CD1 4.39Å; M2387-L2391 HydrophobicContact CE-CD1 4.38Å; M2387-L2391 VanDerWaalsContact O-CB 3.23Å; M2387-L2391 WeakPolarHBondContact O-CB 3.39Å; M2387-L2391 WeakPolarHBondContact O-CD1 3.42Å; M2387-L2391 VanDerWaalsContact O-CG 3.26Å; M2387-L2391 WeakPolarHBondContact O-CG 3.35Å; M2387-L2391 PolarHBondContact O-N 3.31Å |
| 2388 | L | 87.5 | Confident | 75.1 | Confident | 15.6 Ų | 15.6 | 44.6 Ų | 44.6 | 8% | 0.082 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 174.9 | -69.5 | 169.4 | 0 | 0 | 0 | 111.3 | F2300 L2384 T2386 I2392 F2393 F2934 I2935 L2938 L2963 | F2300-L2388 HydrophobicContact CD2-CD2 4.47Å; F2300-L2388 HydrophobicContact CE2-CD2 3.67Å; F2300-L2388 HydrophobicContact CZ-CD2 3.91Å; L2384-L2388 HydrophobicContact CD1-CD1 3.87Å; L2384-L2388 HydrophobicContact CD1-CD2 4.49Å; L2384-L2388 HydrophobicContact CD1-CG 3.99Å; L2384-L2388 HydrophobicContact CG-CD1 3.85Å; L2384-L2388 HydrophobicContact CG-CG 4.39Å; L2384-L2388 WeakPolarHBondContact O-CB 3.4Å; L2384-L2388 VanDerWaalsContact O-CG 3.27Å; L2384-L2388 WeakPolarHBondContact O-CG 3.41Å; L2384-L2388 PolarHBondContact O-N 3.23Å; T2386-L2388 PolarHBondContact O-N 2.88Å; L2388-I2392 HydrophobicContact CB-CD1 4.37Å; L2388-I2392 HydrophobicContact CD2-CD1 3.76Å; L2388-I2392 VanDerWaalsContact O-CB 3.24Å; L2388-I2392 WeakPolarHBondContact O-CB 3.37Å; L2388-I2392 VanDerWaalsContact O-CG1 3.26Å; L2388-I2392 WeakPolarHBondContact O-CG1 3.39Å; L2388-I2392 PolarHBondContact O-N 3.29Å; L2388-F2393 WeakPolarHBondContact O-CD2 3.31Å; L2388-F2934 HydrophobicContact CD1-CE1 3.62Å; L2388-F2934 HydrophobicContact CD1-CZ 4.02Å; L2388-F2934 HydrophobicContact CD2-CE1 3.95Å; L2388-F2934 HydrophobicContact CG-CE1 4.45Å; L2388-I2935 HydrophobicContact CD1-CD1 4.16Å; L2388-L2938 HydrophobicContact CD1-CD2 3.33Å; L2388-L2963 HydrophobicContact CB-CD1 4.36Å |
| 2389 | Y | 83.4 | Confident | 73.3 | Confident | 80.6 Ų | 80.6 | 44.7 Ų | 44.7 | 32% | 0.316 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -59.3 | -52.7 | 173.1 | -177.4 | -96 | 0 | 0 | 0 | 111.6 | T2385 T2386 M2387 L2391 I2392 F2393 S2394 E2962 H2966 | T2385-Y2389 WeakPolarHBondContact O-CB 3.41Å; T2385-Y2389 PolarHBondContact O-N 3.21Å; T2386-Y2389 WeakPolarHBondContact O-CB 3.33Å; T2386-Y2389 PolarHBondContact O-N 3.06Å; M2387-Y2389 VanDerWaalsContact C-N 3.29Å; M2387-Y2389 PolarHBondContact O-N 3.03Å; Y2389-L2391 VanDerWaalsContact C-N 3.34Å; Y2389-L2391 PolarHBondContact O-N 3.36Å; Y2389-I2392 PolarHBondContact O-N 2.92Å; Y2389-F2393 HydrophobicContact CD1-CB 4.47Å; Y2389-F2393 HydrophobicContact CD2-CB 4.13Å; Y2389-F2393 HydrophobicContact CD2-CD2 4.13Å; Y2389-F2393 HydrophobicContact CD2-CG 4.24Å; Y2389-F2393 HydrophobicContact CE1-CB 4.37Å; Y2389-F2393 HydrophobicContact CE2-CB 4.19Å; Y2389-F2393 HydrophobicContact CE2-CG 4.29Å; Y2389-F2393 HydrophobicContact CG-CB 4.32Å; Y2389-F2393 CarbonylContact O-C 3.44Å; Y2389-F2393 VanDerWaalsContact O-CA 3.26Å; Y2389-F2393 WeakPolarHBondContact O-CA 3.36Å; Y2389-F2393 WeakPolarHBondContact O-CB 3.36Å; Y2389-F2393 PolarHBondContact O-N 3.12Å; Y2389-S2394 PolarHBondContact O-N 3.13Å; Y2389-S2394 VanDerWaalsContact O-N 3.11Å; Y2389-E2962 HydrophobicContact CD2-CB 4.4Å; Y2389-E2962 HydrophobicContact CE2-CB 4.16Å; Y2389-H2966 AromaticContact CE2-CD2 3.87Å; Y2389-H2966 AromaticContact CE2-CE1 3.57Å; Y2389-H2966 AromaticContact CE2-CG 3.85Å; Y2389-H2966 AromaticContact CE2-ND1 3.65Å; Y2389-H2966 AromaticContact CE2-NE2 3.69Å; Y2389-H2966 AromaticContact CZ-NE2 3.95Å; Y2389-H2966 PolarHBondContact OH-CE1 3.33Å; Y2389-H2966 PolarHBondContact OH-NE2 3.2Å |
| 2390 | D | 79.8 | Confident | 71.5 | Confident | 60.8 Ų | 60.8 | 48.3 Ų | 48.3 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -64.2 | -42.8 | -178.4 | -82.1 | -8.3 | 0 | 0 | 0 | 112.9 | N2307 R2311 T2386 M2387 S2394 | N2307-D2390 PolarHBondContact ND2-O 3.33Å; R2311-D2390 IonicContact CZ-OD2 2.69Å; R2311-D2390 IonicContact NH2-OD2 3.9Å; R2311-D2390 PolarHBondContact NH2-OD2 3.1Å; T2386-D2390 WeakPolarHBondContact O-CB 3.23Å; T2386-D2390 PolarHBondContact O-N 3.18Å; M2387-D2390 PolarHBondContact O-N 3.18Å; D2390-S2394 VanDerWaalsContact O-CB 3.28Å; D2390-S2394 WeakPolarHBondContact O-CB 3.35Å; D2390-S2394 PolarHBondContact O-OG 3.1Å |
| 2391 | L | 79.6 | Confident | 69.4 | Low | 20.6 Ų | 20.6 | 54.4 Ų | 54.4 | 11% | 0.108 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -78.9 | -34.4 | -176.2 | -67.6 | 168 | 0 | 0 | 0 | 113.3 | V2295 E2296 F2300 S2303 K2304 N2307 M2387 Y2389 H2922 | V2295-L2391 HydrophobicContact CG1-CD1 3.7Å; E2296-L2391 HydrophobicContact CG-CD1 4.17Å; F2300-L2391 HydrophobicContact CB-CD1 4.32Å; F2300-L2391 HydrophobicContact CD2-CD1 4.42Å; S2303-L2391 WeakPolarHBondContact CB-O 3.32Å; K2304-L2391 HydrophobicContact CB-CD2 4Å; N2307-L2391 WeakPolarHBondContact ND2-CA 3.47Å; N2307-L2391 PolarHBondContact ND2-O 2.98Å; M2387-L2391 HydrophobicContact CB-CD1 4.39Å; M2387-L2391 HydrophobicContact CE-CD1 4.38Å; M2387-L2391 VanDerWaalsContact O-CB 3.23Å; M2387-L2391 WeakPolarHBondContact O-CB 3.39Å; M2387-L2391 WeakPolarHBondContact O-CD1 3.42Å; M2387-L2391 VanDerWaalsContact O-CG 3.26Å; M2387-L2391 WeakPolarHBondContact O-CG 3.35Å; M2387-L2391 PolarHBondContact O-N 3.31Å; Y2389-L2391 VanDerWaalsContact C-N 3.34Å; Y2389-L2391 PolarHBondContact O-N 3.36Å; L2391-H2922 PolarHBondContact O-CE1 3.1Å |
| 2392 | I | 75.3 | Confident | 67.5 | Low | 35.6 Ų | 35.6 | 56.6 Ų | 56.6 | 18% | 0.183 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -105.4 | -37.3 | -172.2 | -53.2 | 175.9 | 0 | 0 | 0 | 112.1 | F2300 L2388 Y2389 Q2926 L2931 | F2300-I2392 HydrophobicContact CD1-CD1 3.99Å; F2300-I2392 HydrophobicContact CD1-CG1 4.15Å; F2300-I2392 HydrophobicContact CD2-CD1 4.36Å; F2300-I2392 HydrophobicContact CE1-CD1 3.66Å; F2300-I2392 VanDerWaalsContact CE1-CD1 3.43Å; F2300-I2392 HydrophobicContact CE1-CG1 4.09Å; F2300-I2392 HydrophobicContact CE2-CD1 4.32Å; F2300-I2392 HydrophobicContact CG-CD1 4.29Å; F2300-I2392 HydrophobicContact CZ-CD1 3.76Å; F2300-I2392 HydrophobicContact CZ-CG1 4.39Å; L2388-I2392 HydrophobicContact CB-CD1 4.37Å; L2388-I2392 HydrophobicContact CD2-CD1 3.76Å; L2388-I2392 VanDerWaalsContact O-CB 3.24Å; L2388-I2392 WeakPolarHBondContact O-CB 3.37Å; L2388-I2392 VanDerWaalsContact O-CG1 3.26Å; L2388-I2392 WeakPolarHBondContact O-CG1 3.39Å; L2388-I2392 PolarHBondContact O-N 3.29Å; Y2389-I2392 PolarHBondContact O-N 2.92Å; I2392-Q2926 HydrophobicContact CG2-CG 3.59Å; I2392-Q2926 PolarHBondContact O-NE2 2.99Å; I2392-L2931 HydrophobicContact CD1-CD1 4.1Å; I2392-L2931 HydrophobicContact CG2-CD2 4.47Å |
| 2393 | F | 68.6 | Low | 65.5 | Low | 42.2 Ų | 42.2 | 58.1 Ų | 58.1 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -114.6 | -7.4 | -165.9 | -61.4 | -76.9 | 0 | 0 | 0 | 114.9 | L2388 Y2389 T2395 N2396 L2931 I2935 L2963 H2966 F2967 L2970 | L2388-F2393 WeakPolarHBondContact O-CD2 3.31Å; Y2389-F2393 HydrophobicContact CD1-CB 4.47Å; Y2389-F2393 HydrophobicContact CD2-CB 4.13Å; Y2389-F2393 HydrophobicContact CD2-CD2 4.13Å; Y2389-F2393 HydrophobicContact CD2-CG 4.24Å; Y2389-F2393 HydrophobicContact CE1-CB 4.37Å; Y2389-F2393 HydrophobicContact CE2-CB 4.19Å; Y2389-F2393 HydrophobicContact CE2-CG 4.29Å; Y2389-F2393 HydrophobicContact CG-CB 4.32Å; Y2389-F2393 CarbonylContact O-C 3.44Å; Y2389-F2393 VanDerWaalsContact O-CA 3.26Å; Y2389-F2393 WeakPolarHBondContact O-CA 3.36Å; Y2389-F2393 WeakPolarHBondContact O-CB 3.36Å; Y2389-F2393 PolarHBondContact O-N 3.12Å; F2393-T2395 WeakPolarHBondContact O-CA 3.43Å; F2393-T2395 PolarHBondContact O-N 3.17Å; F2393-T2395 VanDerWaalsContact O-N 3.09Å; F2393-N2396 PolarHBondContact O-N 3.21Å; F2393-N2396 VanDerWaalsContact O-N 3.14Å; F2393-L2931 HydrophobicContact CZ-CD2 4.18Å; F2393-I2935 HydrophobicContact CE2-CD1 4.33Å; F2393-L2963 HydrophobicContact CD2-CD1 3.44Å; F2393-L2963 HydrophobicContact CE2-CD1 3.38Å; F2393-L2963 VanDerWaalsContact CE2-CD1 3.46Å; F2393-L2963 HydrophobicContact CG-CD1 4.31Å; F2393-L2963 HydrophobicContact CZ-CD1 4.34Å; F2393-H2966 HydrophobicContact CB-CB 3.81Å; F2393-H2966 HydrophobicContact CD1-CB 4.15Å; F2393-H2966 HydrophobicContact CG-CB 4.16Å; F2393-F2967 HydrophobicContact CE1-CB 4.14Å; F2393-F2967 HydrophobicContact CE1-CD2 4.1Å; F2393-F2967 HydrophobicContact CZ-CB 4.29Å; F2393-F2967 AromaticContact CZ-CD2 3.87Å; F2393-F2967 HydrophobicContact CZ-CD2 3.87Å; F2393-L2970 HydrophobicContact CD1-CD2 3.83Å; F2393-L2970 HydrophobicContact CE1-CB 4.49Å; F2393-L2970 HydrophobicContact CE1-CD2 3.77Å |
| 2394 | S | 61.3 | Low | 63.7 | Low | 39.2 Ų | 39.2 | 60.3 Ų | 60.3 | 27% | 0.274 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 13 | 179.3 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | R2310 Y2389 D2390 N2396 A2397 | R2310-S2394 VanDerWaalsContact CZ-O 3.23Å; R2310-S2394 PolarHBondContact NH1-O 2.86Å; R2310-S2394 PolarHBondContact NH1-OG 3.35Å; R2310-S2394 PolarHBondContact NH2-O 3.1Å; Y2389-S2394 PolarHBondContact O-N 3.13Å; Y2389-S2394 VanDerWaalsContact O-N 3.11Å; D2390-S2394 VanDerWaalsContact O-CB 3.28Å; D2390-S2394 WeakPolarHBondContact O-CB 3.35Å; D2390-S2394 PolarHBondContact O-OG 3.1Å; S2394-N2396 PolarHBondContact O-N 3.09Å; S2394-N2396 VanDerWaalsContact O-N 3.14Å; S2394-A2397 VanDerWaalsContact O-CB 3.27Å; S2394-A2397 WeakPolarHBondContact O-CB 3.19Å; S2394-A2397 PolarHBondContact O-N 2.98Å |
| 2395 | T | 51.2 | Low | 61.4 | Low | 55.4 Ų | 55.4 | 65.6 Ų | 65.6 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -3.5 | -166.4 | 46.7 | 0 | 0 | 0 | 0 | 115 | Y2306 N2307 R2310 F2393 | Y2306-T2395 HydrophobicContact CE1-CG2 4.29Å; N2307-T2395 VanDerWaalsContact OD1-CG2 3.25Å; N2307-T2395 WeakPolarHBondContact OD1-CG2 3.45Å; N2307-T2395 PolarHBondContact OD1-OG1 2.95Å; R2310-T2395 PolarHBondContact NH1-O 3.13Å; R2310-T2395 PolarHBondContact NH2-O 3.28Å; F2393-T2395 WeakPolarHBondContact O-CA 3.43Å; F2393-T2395 PolarHBondContact O-N 3.17Å; F2393-T2395 VanDerWaalsContact O-N 3.09Å |
| 2396 | N | 49.2 | Very low | 59.2 | Low | 86.2 Ų | 86.2 | 70.1 Ų | 70.1 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 3.4 | -174.4 | -75.6 | -11.8 | 0 | 0 | 0 | 115.3 | R2310 F2393 S2394 R2398 | R2310-N2396 PolarHBondContact NH1-OD1 3.27Å; F2393-N2396 PolarHBondContact O-N 3.21Å; F2393-N2396 VanDerWaalsContact O-N 3.14Å; S2394-N2396 PolarHBondContact O-N 3.09Å; S2394-N2396 VanDerWaalsContact O-N 3.14Å; N2396-R2398 VanDerWaalsContact C-N 3.34Å; N2396-R2398 PolarHBondContact O-N 3.27Å |
| 2397 | A | 44.3 | Very low | 56.6 | Low | 37.4 Ų | 37.4 | 72.4 Ų | 72.4 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | trans | -117.1 | 44.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y2306 S2394 P2399 H2966 L2970 | Y2306-A2397 HydrophobicContact CE1-CB 4.31Å; S2394-A2397 VanDerWaalsContact O-CB 3.27Å; S2394-A2397 WeakPolarHBondContact O-CB 3.19Å; S2394-A2397 PolarHBondContact O-N 2.98Å; A2397-P2399 VanDerWaalsContact O-CD 3.23Å; A2397-P2399 WeakPolarHBondContact O-CD 3.41Å; A2397-H2966 HydrophobicContact CB-CB 4.2Å; A2397-H2966 PolarHBondContact O-CD2 2.93Å; A2397-L2970 HydrophobicContact CB-CB 4.4Å | ||
| 2398 | R | 42.4 | Very low | 54.2 | Low | 201 Ų | 201 | 75.3 Ų | 75.3 | 76% | 0.758 | 38% | 0.377 | S | S | * | . | trans | -82.4 | 120.1 | 165.3 | -76.1 | -171.5 | 177.9 | -176.1 | -0.1 | 109.3 | N2396 V2400 N2401 | N2396-R2398 VanDerWaalsContact C-N 3.34Å; N2396-R2398 PolarHBondContact O-N 3.27Å; R2398-V2400 HydrophobicContact CB-CG2 4.26Å; R2398-V2400 PolarHBondContact O-N 3.15Å; R2398-V2400 VanDerWaalsContact O-N 3.11Å; R2398-N2401 PolarHBondContact O-N 3.45Å; R2398-N2401 VanDerWaalsContact O-N 3.08Å | ||
| 2399 | P | 41.6 | Very low | 51.5 | Low | 51 Ų | 51 | 76.6 Ų | 76.6 | 33% | 0.331 | 39% | 0.393 | S | S | . | . | trans | -66.1 | 44.8 | 175.5 | -0.6 | 7 | 0 | 0 | 0 | 111.5 | A2397 N2401 F2402 F2969 Q3011 | A2397-P2399 VanDerWaalsContact O-CD 3.23Å; A2397-P2399 WeakPolarHBondContact O-CD 3.41Å; P2399-N2401 VanDerWaalsContact C-N 3.32Å; P2399-N2401 PolarHBondContact O-N 3.33Å; P2399-F2402 HydrophobicContact CB-CB 3.71Å; P2399-F2402 HydrophobicContact CG-CB 3.48Å; P2399-F2402 VanDerWaalsContact CG-CB 3.48Å; P2399-F2402 PolarHBondContact O-N 3.06Å; P2399-F2969 HydrophobicContact CB-CD2 4.24Å; P2399-F2969 HydrophobicContact CB-CE2 3.78Å; P2399-F2969 HydrophobicContact CB-CZ 4.06Å; P2399-F2969 HydrophobicContact CG-CD2 3.93Å; P2399-F2969 HydrophobicContact CG-CE2 3.64Å; P2399-F2969 HydrophobicContact CG-CZ 4.3Å; P2399-Q3011 PolarHBondContact O-NE2 2.75Å; P2399-Q3011 PolarHBondContact O-OE1 2.91Å | ||
| 2400 | V | 43.2 | Very low | 49 | Very low | 102.8 Ų | 102.8 | 77.3 Ų | 77.3 | 62% | 0.623 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.1 | -174.6 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | R2398 A3007 | R2398-V2400 HydrophobicContact CB-CG2 4.26Å; R2398-V2400 PolarHBondContact O-N 3.15Å; R2398-V2400 VanDerWaalsContact O-N 3.11Å; V2400-A3007 HydrophobicContact CG2-CB 3.72Å; V2400-A3007 WeakPolarHBondContact CG2-O 3.42Å |
| 2401 | N | 40.5 | Very low | 46.7 | Very low | 130 Ų | 130 | 78.8 Ų | 78.8 | 70% | 0.695 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | 24.8 | -178.4 | -82.3 | -15.4 | 0 | 0 | 0 | 114 | R2398 P2399 N2403 S2511 T2512 | R2398-N2401 PolarHBondContact O-N 3.45Å; R2398-N2401 VanDerWaalsContact O-N 3.08Å; P2399-N2401 VanDerWaalsContact C-N 3.32Å; P2399-N2401 PolarHBondContact O-N 3.33Å; N2401-N2403 PolarHBondContact O-N 3.18Å; N2401-N2403 VanDerWaalsContact O-N 3.16Å; N2401-S2511 PolarHBondContact ND2-O 2.9Å; N2401-T2512 HydrophobicContact CB-CG2 3.95Å; N2401-T2512 WeakPolarHBondContact CB-OG1 3.38Å; N2401-T2512 WeakPolarHBondContact ND2-CA 3.25Å |
| 2402 | F | 45.6 | Very low | 44.3 | Very low | 57.8 Ų | 57.8 | 81.1 Ų | 81.1 | 25% | 0.254 | 43% | 0.428 | S | S | . | . | trans | -71.1 | 111.8 | 174.4 | -138.1 | -91 | 0 | 0 | 0 | 110.8 | P2399 W2404 F2969 Y2972 F3014 | P2399-F2402 HydrophobicContact CB-CB 3.71Å; P2399-F2402 HydrophobicContact CG-CB 3.48Å; P2399-F2402 VanDerWaalsContact CG-CB 3.48Å; P2399-F2402 PolarHBondContact O-N 3.06Å; F2402-W2404 HydrophobicContact CD1-CD2 4.17Å; F2402-W2404 HydrophobicContact CD1-CE3 4.18Å; F2402-W2404 HydrophobicContact CD1-CZ3 4.33Å; F2402-W2404 AromaticContact CE1-CD2 3.91Å; F2402-W2404 HydrophobicContact CE1-CD2 4.06Å; F2402-W2404 AromaticContact CE1-CE3 3.68Å; F2402-W2404 HydrophobicContact CE1-CE3 3.68Å; F2402-W2404 HydrophobicContact CE1-CG 4.5Å; F2402-W2404 HydrophobicContact CE1-CH2 4.36Å; F2402-W2404 AromaticContact CE1-CZ3 3.84Å; F2402-W2404 HydrophobicContact CE1-CZ3 3.98Å; F2402-W2404 PolarHBondContact O-N 3.14Å; F2402-W2404 VanDerWaalsContact O-N 3.09Å; F2402-F2969 HydrophobicContact CB-CD1 4.23Å; F2402-F2969 AromaticContact CD1-CD1 3.84Å; F2402-F2969 HydrophobicContact CD1-CD1 3.84Å; F2402-F2969 HydrophobicContact CD1-CE1 4.49Å; F2402-F2969 HydrophobicContact CD2-CB 4.08Å; F2402-F2969 HydrophobicContact CD2-CD1 4.32Å; F2402-F2969 HydrophobicContact CE1-CD1 4.32Å; F2402-F2969 WeakPolarHBondContact CE1-O 3.42Å; F2402-F2969 HydrophobicContact CE2-CB 4.3Å; F2402-F2969 AromaticContact CE2-CD1 3.72Å; F2402-F2969 HydrophobicContact CE2-CD1 3.72Å; F2402-F2969 HydrophobicContact CE2-CE1 4.43Å; F2402-F2969 HydrophobicContact CE2-CG 4.47Å; F2402-F2969 WeakPolarHBondContact CE2-O 3.32Å; F2402-F2969 HydrophobicContact CG-CB 4.36Å; F2402-F2969 AromaticContact CG-CD1 3.85Å; F2402-F2969 HydrophobicContact CG-CD1 4.15Å; F2402-F2969 HydrophobicContact CG-CG 4.47Å; F2402-F2969 HydrophobicContact CZ-CB 3.99Å; F2402-F2969 AromaticContact CZ-CD1 3.8Å; F2402-F2969 HydrophobicContact CZ-CD1 3.8Å; F2402-F2969 HydrophobicContact CZ-CG 4.37Å; F2402-F2969 VanDerWaalsContact CZ-O 3.31Å; F2402-F2969 WeakPolarHBondContact CZ-O 3.39Å; F2402-Y2972 AromaticContact CE1-CD1 3.86Å; F2402-Y2972 HydrophobicContact CE1-CD1 4.13Å; F2402-Y2972 AromaticContact CE1-CE1 3.97Å; F2402-Y2972 HydrophobicContact CE1-CE1 4.04Å; F2402-Y2972 HydrophobicContact CE2-CD1 4.45Å; F2402-Y2972 AromaticContact CZ-CD1 3.64Å; F2402-Y2972 HydrophobicContact CZ-CD1 3.64Å; F2402-Y2972 AromaticContact CZ-CE1 3.83Å; F2402-Y2972 HydrophobicContact CZ-CE1 3.83Å; F2402-Y2972 HydrophobicContact CZ-CG 4.37Å; F2402-F3014 HydrophobicContact CB-CD1 4.14Å; F2402-F3014 HydrophobicContact CB-CE1 3.59Å; F2402-F3014 HydrophobicContact CB-CE2 4.16Å; F2402-F3014 HydrophobicContact CB-CZ 3.61Å; F2402-F3014 AromaticContact CD1-CE1 3.79Å; F2402-F3014 HydrophobicContact CD1-CE1 4.03Å; F2402-F3014 AromaticContact CD1-CZ 3.72Å; F2402-F3014 HydrophobicContact CD1-CZ 3.72Å; F2402-F3014 AromaticContact CD2-CD1 3.79Å; F2402-F3014 HydrophobicContact CD2-CD1 3.79Å; F2402-F3014 AromaticContact CD2-CE1 3.54Å; F2402-F3014 HydrophobicContact CD2-CE1 3.54Å; F2402-F3014 HydrophobicContact CD2-CZ 4.4Å; F2402-F3014 HydrophobicContact CE2-CD1 4.49Å; F2402-F3014 HydrophobicContact CE2-CE1 4.44Å; F2402-F3014 HydrophobicContact CG-CD1 4.19Å; F2402-F3014 AromaticContact CG-CE1 3.46Å; F2402-F3014 HydrophobicContact CG-CE1 3.92Å; F2402-F3014 VanDerWaalsContact CG-CE1 3.46Å; F2402-F3014 HydrophobicContact CG-CZ 4.18Å; F2402-F3014 VanDerWaalsContact O-CE2 3.24Å; F2402-F3014 WeakPolarHBondContact O-CE2 3.5Å; F2402-F3014 WeakPolarHBondContact O-CZ 3.42Å | ||
| 2403 | N | 44.5 | Very low | 42 | Very low | 89.4 Ų | 89.4 | 83.6 Ų | 83.6 | 48% | 0.478 | 45% | 0.447 | S | S | . | . | trans | -94.8 | 110.3 | 171 | -161.7 | -11.1 | 0 | 0 | 0 | 108.8 | N2401 N2405 Y2406 | N2401-N2403 PolarHBondContact O-N 3.18Å; N2401-N2403 VanDerWaalsContact O-N 3.16Å; N2403-N2405 HydrophobicContact CB-CB 4.48Å; N2403-N2405 PolarHBondContact O-N 3.2Å; N2403-N2405 VanDerWaalsContact OD1-CB 3.31Å; N2403-N2405 WeakPolarHBondContact OD1-CB 3.44Å; N2403-N2405 PolarHBondContact OD1-N 3.05Å; N2403-N2405 VanDerWaalsContact OD1-N 3.12Å; N2403-N2405 PolarHBondContact OD1-ND2 3.09Å; N2403-Y2406 HydrophobicContact CB-CD2 4.12Å; N2403-Y2406 HydrophobicContact CB-CE2 4.19Å; N2403-Y2406 WeakPolarHBondContact O-CB 3.39Å; N2403-Y2406 VanDerWaalsContact O-CD2 3.24Å; N2403-Y2406 WeakPolarHBondContact O-CD2 3.32Å; N2403-Y2406 PolarHBondContact O-N 2.92Å; N2403-Y2406 VanDerWaalsContact O-N 3.16Å | ||
| 2404 | W | 49.4 | Very low | 40.1 | Very low | 72.2 Ų | 72.2 | 87.3 Ų | 87.3 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 1 | 175.4 | -66.8 | 101 | 0 | 0 | 0 | 113.4 | F2402 Y2406 Y2972 F3014 L3015 H3018 C3019 P3020 Y3021 M3024 | F2402-W2404 HydrophobicContact CD1-CD2 4.17Å; F2402-W2404 HydrophobicContact CD1-CE3 4.18Å; F2402-W2404 HydrophobicContact CD1-CZ3 4.33Å; F2402-W2404 AromaticContact CE1-CD2 3.91Å; F2402-W2404 HydrophobicContact CE1-CD2 4.06Å; F2402-W2404 AromaticContact CE1-CE3 3.68Å; F2402-W2404 HydrophobicContact CE1-CE3 3.68Å; F2402-W2404 HydrophobicContact CE1-CG 4.5Å; F2402-W2404 HydrophobicContact CE1-CH2 4.36Å; F2402-W2404 AromaticContact CE1-CZ3 3.84Å; F2402-W2404 HydrophobicContact CE1-CZ3 3.98Å; F2402-W2404 PolarHBondContact O-N 3.14Å; F2402-W2404 VanDerWaalsContact O-N 3.09Å; W2404-Y2406 VanDerWaalsContact C-N 3.32Å; W2404-Y2406 PolarHBondContact O-N 3.14Å; W2404-Y2972 HydrophobicContact CE3-CD1 4.48Å; W2404-Y2972 HydrophobicContact CE3-CD2 4.09Å; W2404-Y2972 HydrophobicContact CE3-CE1 4.09Å; W2404-Y2972 AromaticContact CE3-CE2 3.69Å; W2404-Y2972 HydrophobicContact CE3-CE2 3.69Å; W2404-Y2972 HydrophobicContact CE3-CG 4.48Å; W2404-Y2972 AromaticContact CE3-CZ 3.68Å; W2404-Y2972 HydrophobicContact CZ3-CD1 4.19Å; W2404-Y2972 AromaticContact CZ3-CD2 3.83Å; W2404-Y2972 HydrophobicContact CZ3-CD2 3.83Å; W2404-Y2972 HydrophobicContact CZ3-CE1 4.26Å; W2404-Y2972 AromaticContact CZ3-CE2 3.93Å; W2404-Y2972 HydrophobicContact CZ3-CE2 3.93Å; W2404-Y2972 AromaticContact CZ3-CG 3.98Å; W2404-Y2972 HydrophobicContact CZ3-CG 4.17Å; W2404-Y2972 PolarHBondContact O-OH 3.03Å; W2404-F3014 AromaticContact CD1-CE2 3.51Å; W2404-F3014 AromaticContact CD1-CZ 3.63Å; W2404-F3014 HydrophobicContact CD2-CE1 4.29Å; W2404-F3014 HydrophobicContact CD2-CZ 4.37Å; W2404-F3014 AromaticContact CE2-CE1 3.44Å; W2404-F3014 AromaticContact CE2-CZ 3.61Å; W2404-F3014 HydrophobicContact CG-CZ 4.11Å; W2404-F3014 HydrophobicContact CH2-CE1 4.03Å; W2404-F3014 AromaticContact CZ2-CD1 3.73Å; W2404-F3014 HydrophobicContact CZ2-CD1 4.01Å; W2404-F3014 AromaticContact CZ2-CE1 3.45Å; W2404-F3014 HydrophobicContact CZ2-CE1 3.45Å; W2404-F3014 AromaticContact CZ2-CZ 3.89Å; W2404-F3014 HydrophobicContact CZ2-CZ 4.1Å; W2404-F3014 AromaticContact NE1-CD1 3.82Å; W2404-F3014 AromaticContact NE1-CD2 3.9Å; W2404-F3014 AromaticContact NE1-CE1 3.34Å; W2404-F3014 VanDerWaalsContact NE1-CE1 3.31Å; W2404-F3014 AromaticContact NE1-CE2 3.4Å; W2404-F3014 AromaticContact NE1-CZ 3.07Å; W2404-F3014 PolarHBondContact NE1-O 3.14Å; W2404-L3015 HydrophobicContact CZ2-CD2 4.31Å; W2404-H3018 PolarHBondContact NE1-O 3Å; W2404-C3019 HydrophobicContact CD2-CB 4.31Å; W2404-C3019 HydrophobicContact CH2-CB 4.08Å; W2404-C3019 WeakPolarHBondContact CH2-SG 3.36Å; W2404-C3019 VanDerWaalsContact CZ2-CA 3.47Å; W2404-C3019 HydrophobicContact CZ2-CB 3.52Å; W2404-C3019 VanDerWaalsContact CZ2-SG 3.52Å; W2404-P3020 HydrophobicContact CB-CG 4.02Å; W2404-P3020 HydrophobicContact CD2-CG 4.07Å; W2404-P3020 VanDerWaalsContact CG-CD 3.45Å; W2404-P3020 HydrophobicContact CG-CG 4.04Å; W2404-Y3021 HydrophobicContact CB-CE2 4.19Å; W2404-Y3021 HydrophobicContact CD2-CD2 4.21Å; W2404-Y3021 HydrophobicContact CD2-CE2 4Å; W2404-Y3021 AromaticContact CE3-CD2 3.61Å; W2404-Y3021 HydrophobicContact CE3-CD2 3.61Å; W2404-Y3021 AromaticContact CE3-CE2 3.63Å; W2404-Y3021 HydrophobicContact CE3-CE2 3.63Å; W2404-Y3021 VanDerWaalsContact CE3-CE2 3.47Å; W2404-Y3021 HydrophobicContact CG-CE2 4.36Å; W2404-Y3021 AromaticContact CZ3-CD2 3.86Å; W2404-Y3021 HydrophobicContact CZ3-CD2 3.86Å; W2404-Y3021 HydrophobicContact CZ3-CE2 4.27Å; W2404-M3024 HydrophobicContact CH2-CB 4.13Å; W2404-M3024 HydrophobicContact CH2-CE 4.21Å; W2404-M3024 HydrophobicContact CH2-CG 4.37Å; W2404-M3024 HydrophobicContact CZ3-CB 4.35Å; W2404-M3024 HydrophobicContact CZ3-CG 4.22Å |
| 2405 | N | 40.8 | Very low | 38.6 | Very low | 119.2 Ų | 119.2 | 89 Ų | 89 | 64% | 0.637 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 17.7 | 172.2 | -60.3 | -47.5 | 0 | 0 | 0 | 113.4 | N2403 N2407 | N2403-N2405 HydrophobicContact CB-CB 4.48Å; N2403-N2405 PolarHBondContact O-N 3.2Å; N2403-N2405 VanDerWaalsContact OD1-CB 3.31Å; N2403-N2405 WeakPolarHBondContact OD1-CB 3.44Å; N2403-N2405 PolarHBondContact OD1-N 3.05Å; N2403-N2405 VanDerWaalsContact OD1-N 3.12Å; N2403-N2405 PolarHBondContact OD1-ND2 3.09Å; N2405-N2407 PolarHBondContact O-N 3.17Å |
| 2406 | Y | 41.2 | Very low | 37.5 | Very low | 121 Ų | 121 | 92.3 Ų | 92.3 | 48% | 0.475 | 50% | 0.5 | S | S | . | . | trans | -72.2 | 60 | 169.5 | -116.1 | -81.7 | 0 | 0 | 0 | 111.6 | N2403 W2404 F2408 | N2403-Y2406 HydrophobicContact CB-CD2 4.12Å; N2403-Y2406 HydrophobicContact CB-CE2 4.19Å; N2403-Y2406 WeakPolarHBondContact O-CB 3.39Å; N2403-Y2406 VanDerWaalsContact O-CD2 3.24Å; N2403-Y2406 WeakPolarHBondContact O-CD2 3.32Å; N2403-Y2406 PolarHBondContact O-N 2.92Å; N2403-Y2406 VanDerWaalsContact O-N 3.16Å; W2404-Y2406 VanDerWaalsContact C-N 3.32Å; W2404-Y2406 PolarHBondContact O-N 3.14Å; Y2406-F2408 VanDerWaalsContact C-N 3.3Å; Y2406-F2408 AromaticContact CD1-CD2 3.85Å; Y2406-F2408 HydrophobicContact CD1-CD2 4.09Å; Y2406-F2408 AromaticContact CD1-CE2 3.8Å; Y2406-F2408 HydrophobicContact CD1-CE2 4.19Å; Y2406-F2408 AromaticContact CE1-CD2 3.42Å; Y2406-F2408 HydrophobicContact CE1-CD2 3.79Å; Y2406-F2408 VanDerWaalsContact CE1-CD2 3.42Å; Y2406-F2408 AromaticContact CE1-CE2 3.81Å; Y2406-F2408 HydrophobicContact CE1-CE2 3.89Å; Y2406-F2408 HydrophobicContact CE2-CE2 4.43Å; Y2406-F2408 AromaticContact CZ-CD2 3.92Å; Y2406-F2408 AromaticContact CZ-CE2 3.67Å; Y2406-F2408 PolarHBondContact O-N 3.15Å; Y2406-F2408 VanDerWaalsContact O-N 3.13Å | ||
| 2407 | N | 33.4 | Very low | 36.5 | Very low | 89.2 Ų | 89.2 | 92.6 Ų | 92.6 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | trans | -72.6 | 94.4 | 165.3 | -80 | -29.2 | 0 | 0 | 0 | 108.5 | N2405 G2409 N2411 Y2439 Y2972 H2973 | N2405-N2407 PolarHBondContact O-N 3.17Å; N2407-G2409 VanDerWaalsContact C-N 3.35Å; N2407-G2409 PolarHBondContact O-N 3.15Å; N2407-N2411 HydrophobicContact CB-CB 4.42Å; N2407-N2411 WeakPolarHBondContact CB-ND2 3.31Å; N2407-N2411 PolarHBondContact ND2-ND2 3.35Å; N2407-Y2439 HydrophobicContact CB-CE2 4.35Å; N2407-Y2972 PolarHBondContact OD1-OH 3.09Å; N2407-Y2972 VanDerWaalsContact OD1-OH 3.11Å; N2407-H2973 PolarHBondContact OD1-CE1 2.97Å; N2407-H2973 PolarHBondContact OD1-NE2 3.1Å | ||
| 2408 | F | 36.5 | Very low | 35.7 | Very low | 75 Ų | 75 | 97 Ų | 97 | 33% | 0.329 | 53% | 0.527 | S | S | . | . | trans | -64 | 88.8 | 166.9 | -107.6 | -86.3 | 0 | 0 | 0 | 110.1 | Y2406 L2410 Y2439 H2923 F2927 | Y2406-F2408 VanDerWaalsContact C-N 3.3Å; Y2406-F2408 AromaticContact CD1-CD2 3.85Å; Y2406-F2408 HydrophobicContact CD1-CD2 4.09Å; Y2406-F2408 AromaticContact CD1-CE2 3.8Å; Y2406-F2408 HydrophobicContact CD1-CE2 4.19Å; Y2406-F2408 AromaticContact CE1-CD2 3.42Å; Y2406-F2408 HydrophobicContact CE1-CD2 3.79Å; Y2406-F2408 VanDerWaalsContact CE1-CD2 3.42Å; Y2406-F2408 AromaticContact CE1-CE2 3.81Å; Y2406-F2408 HydrophobicContact CE1-CE2 3.89Å; Y2406-F2408 HydrophobicContact CE2-CE2 4.43Å; Y2406-F2408 AromaticContact CZ-CD2 3.92Å; Y2406-F2408 AromaticContact CZ-CE2 3.67Å; Y2406-F2408 PolarHBondContact O-N 3.15Å; Y2406-F2408 VanDerWaalsContact O-N 3.13Å; F2408-L2410 HydrophobicContact CB-CD1 4.41Å; F2408-L2410 HydrophobicContact CD1-CD1 4.07Å; F2408-L2410 PolarHBondContact O-N 3.07Å; F2408-L2410 VanDerWaalsContact O-N 3.12Å; F2408-Y2439 PolarHBondContact N-OH 2.94Å; F2408-Y2439 PolarHBondContact O-OH 3.22Å; F2408-H2923 AromaticContact CE1-CE1 3.9Å; F2408-H2923 AromaticContact CE1-NE2 3.84Å; F2408-H2923 HydrophobicContact CZ-CB 4.43Å; F2408-F2927 HydrophobicContact CB-CD2 4.14Å; F2408-F2927 HydrophobicContact CB-CE1 4.36Å; F2408-F2927 HydrophobicContact CB-CE2 3.7Å; F2408-F2927 HydrophobicContact CB-CZ 3.72Å; F2408-F2927 HydrophobicContact CD1-CE2 4.08Å; F2408-F2927 HydrophobicContact CD1-CZ 4.49Å; F2408-F2927 HydrophobicContact CD2-CD2 4.5Å; F2408-F2927 HydrophobicContact CD2-CE2 4.31Å; F2408-F2927 HydrophobicContact CD2-CZ 4.01Å; F2408-F2927 AromaticContact CG-CE2 3.85Å; F2408-F2927 HydrophobicContact CG-CE2 4.03Å; F2408-F2927 AromaticContact CG-CZ 3.81Å; F2408-F2927 HydrophobicContact CG-CZ 3.81Å | ||
| 2409 | G | 30.3 | Very low | 35 | Very low | 41.4 Ų | 41.4 | 93.8 Ų | 93.8 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -27.8 | 36.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N2407 N2411 S2412 Y2439 | N2407-G2409 VanDerWaalsContact C-N 3.35Å; N2407-G2409 PolarHBondContact O-N 3.15Å; G2409-N2411 VanDerWaalsContact C-N 3.26Å; G2409-N2411 WeakPolarHBondContact O-CB 3.41Å; G2409-N2411 PolarHBondContact O-N 3.07Å; G2409-N2411 VanDerWaalsContact O-N 3.09Å; G2409-N2411 PolarHBondContact O-ND2 3.08Å; G2409-S2412 PolarHBondContact O-N 2.97Å; G2409-Y2439 PolarHBondContact N-OH 3.24Å |
| 2410 | L | 30.6 | Very low | 34.1 | Very low | 95.6 Ų | 95.6 | 96.6 Ų | 96.6 | 50% | 0.501 | 54% | 0.543 | S | S | . | . | trans | -58.3 | 50.2 | 178.3 | -71.4 | 168.7 | 0 | 0 | 0 | 112.4 | F2408 S2412 S2415 Y2442 Y2585 H2923 R2924 | F2408-L2410 HydrophobicContact CB-CD1 4.41Å; F2408-L2410 HydrophobicContact CD1-CD1 4.07Å; F2408-L2410 PolarHBondContact O-N 3.07Å; F2408-L2410 VanDerWaalsContact O-N 3.12Å; L2410-S2412 VanDerWaalsContact C-N 3.29Å; L2410-S2412 PolarHBondContact O-N 3.14Å; L2410-S2415 PolarHBondContact O-OG 3.23Å; L2410-Y2442 HydrophobicContact CD1-CE1 3.59Å; L2410-Y2442 HydrophobicContact CD2-CE1 3.73Å; L2410-Y2585 PolarHBondContact O-OH 2.94Å; L2410-Y2585 VanDerWaalsContact O-OH 3.09Å; L2410-H2923 HydrophobicContact CD2-CB 4.07Å; L2410-R2924 HydrophobicContact CD2-CB 4.38Å; L2410-R2924 HydrophobicContact CD2-CG 4.1Å | ||
| 2411 | N | 30.6 | Very low | 33.3 | Very low | 91.6 Ų | 91.6 | 96.6 Ų | 96.6 | 49% | 0.49 | 55% | 0.547 | S | S | . | . | trans | -95.6 | 60.9 | -178 | -67.6 | -28.6 | 0 | 0 | 0 | 113 | N2407 G2409 P2413 K2584 Y2585 | N2407-N2411 HydrophobicContact CB-CB 4.42Å; N2407-N2411 WeakPolarHBondContact CB-ND2 3.31Å; N2407-N2411 PolarHBondContact ND2-ND2 3.35Å; G2409-N2411 VanDerWaalsContact C-N 3.26Å; G2409-N2411 WeakPolarHBondContact O-CB 3.41Å; G2409-N2411 PolarHBondContact O-N 3.07Å; G2409-N2411 VanDerWaalsContact O-N 3.09Å; G2409-N2411 PolarHBondContact O-ND2 3.08Å; N2411-P2413 WeakPolarHBondContact O-CD 3.48Å; N2411-K2584 WeakPolarHBondContact OD1-CD 3.11Å; N2411-Y2585 HydrophobicContact CB-CE1 3.8Å; N2411-Y2585 HydrophobicContact CB-CE2 4.32Å; N2411-Y2585 WeakPolarHBondContact ND2-CE2 3.29Å; N2411-Y2585 PolarHBondContact ND2-O 3.45Å; N2411-Y2585 PolarHBondContact O-OH 3.45Å; N2411-Y2585 WeakPolarHBondContact OD1-CE1 3.47Å | ||
| 2412 | S | 29.1 | Very low | 32.6 | Very low | 70.8 Ų | 70.8 | 95.9 Ų | 95.9 | 50% | 0.495 | 55% | 0.553 | S | S | . | * | trans | -100 | 119.4 | 157 | -176 | 0 | 0 | 0 | 0 | 109.4 | G2409 L2410 N2414 S2415 | G2409-S2412 PolarHBondContact O-N 2.97Å; L2410-S2412 VanDerWaalsContact C-N 3.29Å; L2410-S2412 PolarHBondContact O-N 3.14Å; S2412-N2414 PolarHBondContact O-N 3.2Å; S2412-N2414 VanDerWaalsContact O-N 3.09Å; S2412-N2414 PolarHBondContact OG-N 3.35Å; S2412-S2415 PolarHBondContact O-N 2.74Å; S2412-S2415 PolarHBondContact O-OG 3.13Å | ||
| 2413 | P | 28.9 | Very low | 31.7 | Very low | 88 Ų | 88 | 97.5 Ų | 97.5 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | trans | -71.6 | 4.3 | -179.1 | -11.4 | 22.4 | 0 | 0 | 0 | 114.3 | N2411 S2415 T2416 Y2439 Y2585 A2587 | N2411-P2413 WeakPolarHBondContact O-CD 3.48Å; P2413-S2415 PolarHBondContact O-N 3.38Å; P2413-S2415 VanDerWaalsContact O-N 3.14Å; P2413-T2416 WeakPolarHBondContact O-CG2 3.42Å; P2413-T2416 PolarHBondContact O-N 3.16Å; P2413-T2416 PolarHBondContact O-OG1 2.81Å; P2413-Y2439 HydrophobicContact CG-CE1 3.96Å; P2413-Y2585 HydrophobicContact CG-CD2 4.2Å; P2413-Y2585 HydrophobicContact CG-CE2 3.68Å; P2413-A2587 HydrophobicContact CB-CB 4.01Å; P2413-A2587 HydrophobicContact CG-CB 3.94Å | ||
| 2414 | N | 28.6 | Very low | 30.8 | Very low | 118.4 Ų | 118.4 | 100.4 Ų | 100.4 | 63% | 0.633 | 59% | 0.585 | S | S | * | * | trans | -114.9 | 33 | -170.4 | -72.2 | -6.6 | 0 | 0 | 0 | 114.1 | S2412 T2416 S2417 | S2412-N2414 PolarHBondContact O-N 3.2Å; S2412-N2414 VanDerWaalsContact O-N 3.09Å; S2412-N2414 PolarHBondContact OG-N 3.35Å; N2414-T2416 VanDerWaalsContact C-N 3.28Å; N2414-S2417 WeakPolarHBondContact CA-OG 3.47Å; N2414-S2417 PolarHBondContact O-OG 3.02Å | ||
| 2415 | S | 29.4 | Very low | 29.7 | Very low | 76 Ų | 76 | 104.5 Ų | 104.5 | 53% | 0.531 | 61% | 0.611 | S | S | . | * | trans | -105.5 | 37.1 | 168.7 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | L2410 S2412 P2413 S2417 E2919 | L2410-S2415 PolarHBondContact O-OG 3.23Å; S2412-S2415 PolarHBondContact O-N 2.74Å; S2412-S2415 PolarHBondContact O-OG 3.13Å; P2413-S2415 PolarHBondContact O-N 3.38Å; P2413-S2415 VanDerWaalsContact O-N 3.14Å; S2415-S2417 VanDerWaalsContact C-N 3.26Å; S2415-S2417 PolarHBondContact O-N 3.07Å; S2415-E2919 PolarHBondContact OG-OE1 2.94Å | ||
| 2416 | T | 28.2 | Very low | 29.1 | Very low | 123.6 Ų | 123.6 | 103.6 Ų | 103.6 | 76% | 0.758 | 61% | 0.614 | S | S | * | * | trans | -78.3 | 58 | 169.7 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | P2413 N2414 L2418 L2419 | P2413-T2416 WeakPolarHBondContact O-CG2 3.42Å; P2413-T2416 PolarHBondContact O-N 3.16Å; P2413-T2416 PolarHBondContact O-OG1 2.81Å; N2414-T2416 VanDerWaalsContact C-N 3.28Å; T2416-L2418 PolarHBondContact O-N 2.87Å; T2416-L2419 PolarHBondContact O-N 2.89Å; T2416-L2419 VanDerWaalsContact O-N 3.16Å | ||
| 2417 | S | 28.1 | Very low | 28.4 | Very low | 93.8 Ų | 93.8 | 104.1 Ų | 104.1 | 66% | 0.656 | 63% | 0.625 | S | S | * | * | trans | -124.3 | 59.5 | 177.9 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | N2414 S2415 L2419 | N2414-S2417 WeakPolarHBondContact CA-OG 3.47Å; N2414-S2417 PolarHBondContact O-OG 3.02Å; S2415-S2417 VanDerWaalsContact C-N 3.26Å; S2415-S2417 PolarHBondContact O-N 3.07Å; S2417-L2419 PolarHBondContact O-N 2.67Å | ||
| 2418 | L | 27 | Very low | 28.1 | Very low | 128.6 Ų | 128.6 | 108.6 Ų | 108.6 | 67% | 0.673 | 64% | 0.643 | S | S | * | * | trans | -98.1 | 62.3 | 156.1 | -70.8 | 162.3 | 0 | 0 | 0 | 113 | Q2317 T2416 M2449 | Q2317-L2418 PolarHBondContact NE2-O 2.87Å; T2416-L2418 PolarHBondContact O-N 2.87Å; L2418-M2449 WeakPolarHBondContact O-CE 3.41Å | ||
| 2419 | L | 26.7 | Very low | 27.9 | Very low | 134.6 Ų | 134.6 | 112.3 Ų | 112.3 | 71% | 0.705 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -157.3 | 133.9 | 152.7 | -84.3 | 163.4 | 0 | 0 | 0 | 109.6 | T2313 T2416 S2417 S2421 W2915 | T2313-L2419 HydrophobicContact CG2-CD2 3.48Å; T2313-L2419 VanDerWaalsContact CG2-CD2 3.48Å; T2313-L2419 HydrophobicContact CG2-CG 4.01Å; T2416-L2419 PolarHBondContact O-N 2.89Å; T2416-L2419 VanDerWaalsContact O-N 3.16Å; S2417-L2419 PolarHBondContact O-N 2.67Å; L2419-S2421 VanDerWaalsContact C-N 3.29Å; L2419-S2421 PolarHBondContact O-N 3.04Å; L2419-W2915 HydrophobicContact CD1-CZ2 4.29Å |
| 2420 | P | 24.6 | Very low | 27.9 | Very low | 110.6 Ų | 110.6 | 116.6 Ų | 116.6 | 72% | 0.718 | 68% | 0.678 | S | S | * | * | trans | -86.1 | 112 | -172.7 | 34.1 | -34.1 | 0 | 0 | 0 | 111.9 | S2422 | P2420-S2422 PolarHBondContact O-N 2.8Š| ||
| 2421 | S | 25.7 | Very low | 28 | Very low | 101.4 Ų | 101.4 | 121.8 Ų | 121.8 | 71% | 0.709 | 70% | 0.696 | S | S | * | * | trans | -38.7 | 109.9 | 158.7 | 18.7 | 0 | 0 | 0 | 0 | 112.7 | L2419 S2423 | L2419-S2421 VanDerWaalsContact C-N 3.29Å; L2419-S2421 PolarHBondContact O-N 3.04Å; S2421-S2423 PolarHBondContact O-N 2.73Å | ||
| 2422 | S | 25.3 | Very low | 27.9 | Very low | 116.2 Ų | 116.2 | 121.5 Ų | 121.5 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | trans | -67 | 107.8 | 167.9 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | P2420 | P2420-S2422 PolarHBondContact O-N 2.8Š| ||
| 2423 | S | 26 | Very low | 27.9 | Very low | 90.8 Ų | 90.8 | 124.7 Ų | 124.7 | 64% | 0.635 | 71% | 0.713 | S | S | * | * | trans | 169.4 | 126.2 | 167.3 | 67.7 | 0 | 0 | 0 | 0 | 115.6 | S2421 L2425 R2593 | S2421-S2423 PolarHBondContact O-N 2.73Å; S2423-L2425 PolarHBondContact O-N 3.3Å; S2423-R2593 PolarHBondContact OG-NH1 3.43Å; S2423-R2593 PolarHBondContact OG-NH2 3.43Å | ||
| 2424 | I | 27.1 | Very low | 27.9 | Very low | 150.2 Ų | 150.2 | 129.9 Ų | 129.9 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | -146.6 | 69.8 | 170.3 | -46.9 | 169.7 | 0 | 0 | 0 | 112.6 | S2426 | I2424-S2426 WeakPolarHBondContact CG2-O 3.31Š| ||
| 2425 | L | 26.8 | Very low | 28 | Very low | 157.6 Ų | 157.6 | 129.4 Ų | 129.4 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -154.9 | 99.2 | 139.1 | -136.6 | 98.7 | 0 | 0 | 0 | 110.5 | S2423 D2427 | S2423-L2425 PolarHBondContact O-N 3.3Å; L2425-D2427 PolarHBondContact O-N 2.7Å | ||
| 2426 | S | 26.1 | Very low | 28 | Very low | 101.4 Ų | 101.4 | 132.2 Ų | 132.2 | 71% | 0.709 | 73% | 0.732 | S | S | * | * | trans | -114.4 | 84.6 | 171.5 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | I2424 H2428 | I2424-S2426 WeakPolarHBondContact CG2-O 3.31Å; S2426-H2428 PolarHBondContact O-N 3.19Å | ||
| 2427 | D | 27.9 | Very low | 28.1 | Very low | 132.2 Ų | 132.2 | 132.2 Ų | 132.2 | 71% | 0.707 | 73% | 0.727 | S | S | * | * | trans | -113.2 | 134 | 159.2 | -88.3 | -41.4 | 0 | 0 | 0 | 111 | L2425 I2429 R2605 | L2425-D2427 PolarHBondContact O-N 2.7Å; D2427-I2429 PolarHBondContact O-N 3.18Å; D2427-R2605 IonicContact OD1-NH2 3.49Å; D2427-R2605 PolarHBondContact OD1-NH2 3.46Å | ||
| 2428 | H | 27.1 | Very low | 28.3 | Very low | 182.6 Ų | 182.6 | 131.9 Ų | 131.9 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | -31.3 | 93.4 | 175.2 | -69.3 | -91 | 0 | 0 | 0 | 114.7 | S2426 | S2426-H2428 PolarHBondContact O-N 3.19Š| ||
| 2429 | I | 31.7 | Very low | 28.6 | Very low | 153.2 Ų | 153.2 | 133.5 Ų | 133.5 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | trans | -117.4 | 130.1 | 155.6 | -66.9 | 174 | 0 | 0 | 0 | 109.3 | D2427 K2431 | D2427-I2429 PolarHBondContact O-N 3.18Å; I2429-K2431 PolarHBondContact O-N 3.26Å | ||
| 2430 | D | 30.1 | Very low | 28.8 | Very low | 130.6 Ų | 130.6 | 130.6 Ų | 130.6 | 70% | 0.698 | 71% | 0.708 | S | S | * | * | trans | -56.4 | 126.9 | -170.8 | -74.7 | -55.2 | 0 | 0 | 0 | 114.9 | S2432 R2605 | D2430-S2432 VanDerWaalsContact C-N 3.27Å; D2430-S2432 PolarHBondContact O-N 3.15Å; D2430-R2605 IonicContact OD2-CZ 3.16Å; D2430-R2605 VanDerWaalsContact OD2-CZ 3.23Å; D2430-R2605 IonicContact OD2-NH1 3.82Å; D2430-R2605 PolarHBondContact OD2-NH1 2.87Å; D2430-R2605 IonicContact OD2-NH2 2.86Å; D2430-R2605 PolarHBondContact OD2-NH2 2.95Å | ||
| 2431 | K | 32.3 | Very low | 29.1 | Very low | 205 Ų | 205 | 128.9 Ų | 128.9 | 89% | 0.891 | 69% | 0.692 | S | S | * | * | trans | -89.5 | 14.3 | 178.8 | -73.6 | -177.6 | 175.6 | 176.7 | 0 | 114.4 | I2429 | I2429-K2431 PolarHBondContact O-N 3.26Š| ||
| 2432 | S | 29 | Very low | 29.4 | Very low | 86.2 Ų | 86.2 | 130.6 Ų | 130.6 | 60% | 0.603 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 2.1 | -168.2 | 50.4 | 0 | 0 | 0 | 0 | 115.6 | D2430 | D2430-S2432 VanDerWaalsContact C-N 3.27Å; D2430-S2432 PolarHBondContact O-N 3.15Å |
| 2433 | N | 29.3 | Very low | 29.7 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | trans | -127 | 6.7 | -177 | -84.6 | -16.2 | 0 | 0 | 0 | 116.4 | T2435 | N2433-T2435 VanDerWaalsContact C-N 3.31Å; N2433-T2435 PolarHBondContact O-N 3.44Å | ||
| 2434 | W | 28.6 | Very low | 30 | Very low | 198.2 Ų | 198.2 | 135.5 Ų | 135.5 | 75% | 0.751 | 68% | 0.68 | S | S | * | * | trans | -91.7 | 91.1 | 175.1 | -78.5 | 56.4 | 0 | 0 | 0 | 110.9 | D2438 | W2434-D2438 HydrophobicContact CZ3-CB 4.31Å; W2434-D2438 WeakPolarHBondContact CZ3-OD2 3.46Å | ||
| 2435 | T | 30.1 | Very low | 30.2 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | trans | -84.6 | 147.1 | 176.1 | 60 | 0 | 0 | 0 | 0 | 111.4 | N2433 N2437 D2438 | N2433-T2435 VanDerWaalsContact C-N 3.31Å; N2433-T2435 PolarHBondContact O-N 3.44Å; T2435-N2437 PolarHBondContact O-N 3.21Å; T2435-N2437 VanDerWaalsContact O-N 3.09Å; T2435-D2438 PolarHBondContact O-N 3Å | ||
| 2436 | N | 30.1 | Very low | 30.5 | Very low | 134.8 Ų | 134.8 | 131.4 Ų | 131.4 | 72% | 0.721 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.1 | 35.2 | 179.3 | -68 | -21.1 | 0 | 0 | 0 | 115.9 | H1818 D2438 Y2439 | H1818-N2436 PolarHBondContact CE1-ND2 3.39Å; H1818-N2436 VanDerWaalsContact CE1-ND2 3.28Å; H1818-N2436 PolarHBondContact ND1-ND2 3.18Å; N2436-D2438 PolarHBondContact O-N 2.56Å; N2436-Y2439 PolarHBondContact O-N 2.74Å |
| 2437 | N | 30.7 | Very low | 30.7 | Very low | 124.2 Ų | 124.2 | 133.3 Ų | 133.3 | 66% | 0.664 | 65% | 0.653 | S | S | * | * | trans | -112.1 | -22.1 | 167.3 | -88.7 | -10.8 | 0 | 0 | 0 | 115.3 | T2435 Y2439 S2440 N2441 | T2435-N2437 PolarHBondContact O-N 3.21Å; T2435-N2437 VanDerWaalsContact O-N 3.09Å; N2437-Y2439 PolarHBondContact O-N 3Å; N2437-S2440 PolarHBondContact O-N 3.06Å; N2437-S2440 PolarHBondContact O-OG 2.84Å; N2437-N2441 PolarHBondContact O-N 2.86Å; N2437-N2441 VanDerWaalsContact O-N 3.15Å | ||
| 2438 | D | 32.7 | Very low | 30.9 | Very low | 87.4 Ų | 87.4 | 130.5 Ų | 130.5 | 47% | 0.467 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -77 | -10.2 | -175.3 | -75.6 | -38.3 | 0 | 0 | 0 | 114.7 | W2434 T2435 N2436 S2440 N2441 Y2442 | W2434-D2438 HydrophobicContact CZ3-CB 4.31Å; W2434-D2438 WeakPolarHBondContact CZ3-OD2 3.46Å; T2435-D2438 PolarHBondContact O-N 3Å; N2436-D2438 PolarHBondContact O-N 2.56Å; D2438-S2440 VanDerWaalsContact C-N 3.32Å; D2438-S2440 PolarHBondContact O-N 3.18Å; D2438-S2440 VanDerWaalsContact O-N 3.16Å; D2438-N2441 VanDerWaalsContact O-CB 3.3Å; D2438-N2441 WeakPolarHBondContact O-CB 2.91Å; D2438-N2441 PolarHBondContact O-N 2.9Å; D2438-N2441 VanDerWaalsContact O-N 3.11Å; D2438-Y2442 WeakPolarHBondContact O-CD2 3.25Å; D2438-Y2442 WeakPolarHBondContact O-CE2 3.49Å; D2438-Y2442 PolarHBondContact O-N 2.9Å; D2438-Y2442 VanDerWaalsContact O-N 3.16Å |
| 2439 | Y | 32.6 | Very low | 31.3 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 64% | 0.635 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.6 | -19.5 | 177.2 | -92.6 | -83.1 | 0 | 0 | 0 | 114.1 | N2407 F2408 G2409 P2413 N2436 N2437 N2441 Y2442 N2443 | N2407-Y2439 HydrophobicContact CB-CE2 4.35Å; F2408-Y2439 PolarHBondContact N-OH 2.94Å; F2408-Y2439 PolarHBondContact O-OH 3.22Å; G2409-Y2439 PolarHBondContact N-OH 3.24Å; P2413-Y2439 HydrophobicContact CG-CE1 3.96Å; N2436-Y2439 PolarHBondContact O-N 2.74Å; N2437-Y2439 PolarHBondContact O-N 3Å; Y2439-N2441 PolarHBondContact O-N 2.89Å; Y2439-Y2442 PolarHBondContact O-N 2.97Å; Y2439-N2443 PolarHBondContact O-ND2 3.29Å |
| 2440 | S | 31.3 | Very low | 31.4 | Very low | 74.4 Ų | 74.4 | 125.8 Ų | 125.8 | 52% | 0.52 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -84 | -20.3 | 179.5 | 62 | 0 | 0 | 0 | 0 | 113.9 | D1822 N2437 D2438 | D1822-S2440 WeakPolarHBondContact O-CB 3.18Å; D1822-S2440 WeakPolarHBondContact OD2-CB 3.47Å; D1822-S2440 PolarHBondContact OD2-OG 2.83Å; N2437-S2440 PolarHBondContact O-N 3.06Å; N2437-S2440 PolarHBondContact O-OG 2.84Å; D2438-S2440 VanDerWaalsContact C-N 3.32Å; D2438-S2440 PolarHBondContact O-N 3.18Å; D2438-S2440 VanDerWaalsContact O-N 3.16Å |
| 2441 | N | 31.2 | Very low | 31.8 | Very low | 73.8 Ų | 73.8 | 123.5 Ų | 123.5 | 40% | 0.395 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -85.9 | -28.2 | -178.2 | -111.6 | -22.6 | 0 | 0 | 0 | 113.7 | R1826 N2437 D2438 Y2439 N2443 R2444 Y2445 | R1826-N2441 VanDerWaalsContact CZ-OD1 3.25Å; R1826-N2441 PolarHBondContact NH1-OD1 2.86Å; R1826-N2441 PolarHBondContact NH2-OD1 3.47Å; N2437-N2441 PolarHBondContact O-N 2.86Å; N2437-N2441 VanDerWaalsContact O-N 3.15Å; D2438-N2441 VanDerWaalsContact O-CB 3.3Å; D2438-N2441 WeakPolarHBondContact O-CB 2.91Å; D2438-N2441 PolarHBondContact O-N 2.9Å; D2438-N2441 VanDerWaalsContact O-N 3.11Å; Y2439-N2441 PolarHBondContact O-N 2.89Å; N2441-N2443 VanDerWaalsContact C-N 3.29Å; N2441-N2443 PolarHBondContact O-N 3.13Å; N2441-R2444 WeakPolarHBondContact O-CB 3.21Å; N2441-R2444 PolarHBondContact O-N 3.03Å; N2441-R2444 VanDerWaalsContact O-N 3.14Å; N2441-Y2445 HydrophobicContact CB-CE2 4.47Å; N2441-Y2445 VanDerWaalsContact O-CD2 3.27Å; N2441-Y2445 WeakPolarHBondContact O-CD2 3.34Å |
| 2442 | Y | 32.2 | Very low | 32.1 | Very low | 138.2 Ų | 138.2 | 116.7 Ų | 116.7 | 54% | 0.542 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.2 | -38.1 | -178.8 | -94.6 | -84.7 | 0 | 0 | 0 | 113.4 | L2410 D2438 Y2439 R2444 Y2445 K2584 | L2410-Y2442 HydrophobicContact CD1-CE1 3.59Å; L2410-Y2442 HydrophobicContact CD2-CE1 3.73Å; D2438-Y2442 WeakPolarHBondContact O-CD2 3.25Å; D2438-Y2442 WeakPolarHBondContact O-CE2 3.49Å; D2438-Y2442 PolarHBondContact O-N 2.9Å; D2438-Y2442 VanDerWaalsContact O-N 3.16Å; Y2439-Y2442 PolarHBondContact O-N 2.97Å; Y2442-R2444 PolarHBondContact O-N 3.21Å; Y2442-R2444 VanDerWaalsContact O-N 3.12Å; Y2442-Y2445 PolarHBondContact O-N 2.98Å; Y2442-Y2445 VanDerWaalsContact O-N 3.09Å; Y2442-K2584 HydrophobicContact CE1-CD 4.24Å; Y2442-K2584 WeakPolarHBondContact OH-CD 3.25Å |
| 2443 | N | 31.6 | Very low | 33.1 | Very low | 125.4 Ų | 125.4 | 117.5 Ų | 117.5 | 67% | 0.671 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71 | -6.3 | 179.3 | -72.7 | -23.5 | 0 | 0 | 0 | 114.4 | Y2439 N2441 | Y2439-N2443 PolarHBondContact O-ND2 3.29Å; N2441-N2443 VanDerWaalsContact C-N 3.29Å; N2441-N2443 PolarHBondContact O-N 3.13Å |
| 2444 | R | 30.6 | Very low | 35 | Very low | 183.8 Ų | 183.8 | 119.5 Ų | 119.5 | 69% | 0.694 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -93.1 | -17.2 | -177.8 | -145.8 | 179.2 | -165.6 | 177.6 | 3.2 | 114 | R1826 N2441 Y2442 | R1826-R2444 PolarHBondContact O-NH2 3.09Å; N2441-R2444 WeakPolarHBondContact O-CB 3.21Å; N2441-R2444 PolarHBondContact O-N 3.03Å; N2441-R2444 VanDerWaalsContact O-N 3.14Å; Y2442-R2444 PolarHBondContact O-N 3.21Å; Y2442-R2444 VanDerWaalsContact O-N 3.12Å |
| 2445 | Y | 31.7 | Very low | 37.9 | Very low | 144.2 Ų | 144.2 | 112.8 Ų | 112.8 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -97 | -15.8 | -177.8 | -74.4 | -75.3 | 0 | 0 | 0 | 114.4 | N2441 Y2442 N2447 D2448 M2449 | N2441-Y2445 HydrophobicContact CB-CE2 4.47Å; N2441-Y2445 VanDerWaalsContact O-CD2 3.27Å; N2441-Y2445 WeakPolarHBondContact O-CD2 3.34Å; Y2442-Y2445 PolarHBondContact O-N 2.98Å; Y2442-Y2445 VanDerWaalsContact O-N 3.09Å; Y2445-N2447 VanDerWaalsContact C-N 3.32Å; Y2445-N2447 PolarHBondContact O-N 3.04Å; Y2445-N2447 VanDerWaalsContact O-N 3.13Å; Y2445-D2448 CarbonylContact O-C 3.35Å; Y2445-D2448 WeakPolarHBondContact O-CA 3.39Å; Y2445-D2448 WeakPolarHBondContact O-CB 3.35Å; Y2445-D2448 PolarHBondContact O-N 3.23Å; Y2445-M2449 WeakPolarHBondContact O-CG 3.27Å; Y2445-M2449 PolarHBondContact O-N 3.49Å |
| 2446 | D | 34.1 | Very low | 40.8 | Very low | 78.4 Ų | 78.4 | 108.1 Ų | 108.1 | 42% | 0.419 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.2 | -177.1 | -106.7 | -17.1 | 0 | 0 | 0 | 114.2 | R2360 D2448 M2449 | R2360-D2446 IonicContact CZ-OD1 2.95Å; R2360-D2446 VanDerWaalsContact CZ-OD1 3.3Å; R2360-D2446 IonicContact CZ-OD2 3.44Å; R2360-D2446 VanDerWaalsContact CZ-OD2 3.24Å; R2360-D2446 IonicContact NH1-OD1 3.4Å; R2360-D2446 PolarHBondContact NH1-OD1 2.81Å; R2360-D2446 IonicContact NH1-OD2 2.74Å; R2360-D2446 PolarHBondContact NH1-OD2 3.1Å; R2360-D2446 IonicContact NH2-OD1 3.3Å; R2360-D2446 PolarHBondContact NH2-OD1 3.33Å; R2360-D2446 IonicContact NH2-OD2 3.1Å; R2360-D2446 PolarHBondContact NH2-OD2 2.93Å; D2446-D2448 VanDerWaalsContact C-N 3.33Å; D2446-D2448 PolarHBondContact O-N 2.85Å; D2446-M2449 WeakPolarHBondContact O-CG 3.39Å; D2446-M2449 PolarHBondContact O-N 2.97Å; D2446-M2449 VanDerWaalsContact OD1-CE 3.26Å; D2446-M2449 WeakPolarHBondContact OD1-CE 3.27Å |
| 2447 | N | 30.5 | Very low | 43.8 | Very low | 140.4 Ų | 140.4 | 102 Ų | 102 | 75% | 0.751 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -16.1 | 171.6 | -74.6 | -24.7 | 0 | 0 | 0 | 113.2 | Y2445 M2449 N2450 | Y2445-N2447 VanDerWaalsContact C-N 3.32Å; Y2445-N2447 PolarHBondContact O-N 3.04Å; Y2445-N2447 VanDerWaalsContact O-N 3.13Å; N2447-M2449 PolarHBondContact O-N 2.94Å; N2447-N2450 PolarHBondContact O-N 2.94Å |
| 2448 | D | 32.3 | Very low | 47 | Very low | 73.6 Ų | 73.6 | 96.2 Ų | 96.2 | 39% | 0.394 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -92.7 | -0.5 | -178.9 | -98.8 | -6.2 | 0 | 0 | 0 | 112.8 | Y2445 D2446 N2450 I2451 T2452 | Y2445-D2448 CarbonylContact O-C 3.35Å; Y2445-D2448 WeakPolarHBondContact O-CA 3.39Å; Y2445-D2448 WeakPolarHBondContact O-CB 3.35Å; Y2445-D2448 PolarHBondContact O-N 3.23Å; D2446-D2448 VanDerWaalsContact C-N 3.33Å; D2446-D2448 PolarHBondContact O-N 2.85Å; D2448-N2450 VanDerWaalsContact C-N 3.29Å; D2448-N2450 PolarHBondContact O-N 3.16Å; D2448-I2451 HydrophobicContact CB-CD1 4.31Å; D2448-I2451 WeakPolarHBondContact O-CA 3.42Å; D2448-I2451 VanDerWaalsContact O-CB 3.28Å; D2448-I2451 WeakPolarHBondContact O-CB 3.28Å; D2448-I2451 WeakPolarHBondContact O-CG1 3.38Å; D2448-I2451 PolarHBondContact O-N 3.09Å; D2448-I2451 WeakPolarHBondContact OD1-CD1 3.46Å; D2448-T2452 HydrophobicContact CB-CG2 4.27Å; D2448-T2452 PolarHBondContact O-N 2.91Å; D2448-T2452 VanDerWaalsContact O-N 3.09Å; D2448-T2452 PolarHBondContact O-OG1 3.14Å |
| 2449 | M | 34.2 | Very low | 50 | Low | 101.8 Ų | 101.8 | 96.1 Ų | 96.1 | 50% | 0.501 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -62.9 | -18.4 | 178.8 | -82.8 | -67 | -177.4 | 0 | 0 | 114.2 | L2418 Y2445 D2446 N2447 I2451 T2452 H2453 | L2418-M2449 WeakPolarHBondContact O-CE 3.41Å; Y2445-M2449 WeakPolarHBondContact O-CG 3.27Å; Y2445-M2449 PolarHBondContact O-N 3.49Å; D2446-M2449 WeakPolarHBondContact O-CG 3.39Å; D2446-M2449 PolarHBondContact O-N 2.97Å; D2446-M2449 VanDerWaalsContact OD1-CE 3.26Å; D2446-M2449 WeakPolarHBondContact OD1-CE 3.27Å; N2447-M2449 PolarHBondContact O-N 2.94Å; M2449-I2451 VanDerWaalsContact C-N 3.32Å; M2449-I2451 PolarHBondContact O-N 3.23Å; M2449-T2452 PolarHBondContact O-OG1 2.84Å; M2449-T2452 VanDerWaalsContact O-OG1 3.11Å; M2449-H2453 PolarHBondContact SD-CD2 2.84Å; M2449-H2453 PolarHBondContact SD-NE2 3.19Å |
| 2450 | N | 34.7 | Very low | 52.9 | Low | 136 Ų | 136 | 90.5 Ų | 90.5 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -80.8 | -4.8 | 170.8 | -83.2 | -11.1 | 0 | 0 | 0 | 113.8 | E2189 N2447 D2448 | E2189-N2450 PolarHBondContact OE1-ND2 3.3Å; N2447-N2450 PolarHBondContact O-N 2.94Å; D2448-N2450 VanDerWaalsContact C-N 3.29Å; D2448-N2450 PolarHBondContact O-N 3.16Å |
| 2451 | I | 37.2 | Very low | 55.8 | Low | 81.8 Ų | 81.8 | 88.2 Ų | 88.2 | 42% | 0.419 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -17.2 | -177.8 | -58 | -179.5 | 0 | 0 | 0 | 112.2 | D2448 M2449 H2453 R2454 | D2448-I2451 HydrophobicContact CB-CD1 4.31Å; D2448-I2451 WeakPolarHBondContact O-CA 3.42Å; D2448-I2451 VanDerWaalsContact O-CB 3.28Å; D2448-I2451 WeakPolarHBondContact O-CB 3.28Å; D2448-I2451 WeakPolarHBondContact O-CG1 3.38Å; D2448-I2451 PolarHBondContact O-N 3.09Å; D2448-I2451 WeakPolarHBondContact OD1-CD1 3.46Å; M2449-I2451 VanDerWaalsContact C-N 3.32Å; M2449-I2451 PolarHBondContact O-N 3.23Å; I2451-H2453 PolarHBondContact O-N 3.44Å; I2451-R2454 PolarHBondContact O-N 3.07Å |
| 2452 | T | 39.1 | Very low | 58.6 | Low | 61.6 Ų | 61.6 | 87.2 Ų | 87.2 | 38% | 0.378 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -79.9 | -19.4 | -175.2 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | D2448 M2449 R2454 | D2448-T2452 HydrophobicContact CB-CG2 4.27Å; D2448-T2452 PolarHBondContact O-N 2.91Å; D2448-T2452 VanDerWaalsContact O-N 3.09Å; D2448-T2452 PolarHBondContact O-OG1 3.14Å; M2449-T2452 PolarHBondContact O-OG1 2.84Å; M2449-T2452 VanDerWaalsContact O-OG1 3.11Å; T2452-R2454 VanDerWaalsContact C-N 3.33Å; T2452-R2454 PolarHBondContact O-N 3.13Å |
| 2453 | H | 50.9 | Low | 61.6 | Low | 103.6 Ų | 103.6 | 81.3 Ų | 81.3 | 48% | 0.48 | 41% | 0.409 | S | S | . | . | trans | -94.2 | 41.5 | -177.3 | -73.4 | -61.1 | 0 | 0 | 0 | 114 | M2449 I2451 F2455 | M2449-H2453 PolarHBondContact SD-CD2 2.84Å; M2449-H2453 PolarHBondContact SD-NE2 3.19Å; I2451-H2453 PolarHBondContact O-N 3.44Å; H2453-F2455 VanDerWaalsContact C-N 3.33Å; H2453-F2455 PolarHBondContact O-N 2.82Å; H2453-F2455 VanDerWaalsContact O-N 3.15Å | ||
| 2454 | R | 68.7 | Low | 64.7 | Low | 178 Ų | 178 | 75.3 Ų | 75.3 | 67% | 0.672 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -71.4 | -21.3 | -179.5 | -176.9 | 168.8 | 178.3 | -178.7 | -1.2 | 114.1 | I2451 T2452 | I2451-R2454 PolarHBondContact O-N 3.07Å; T2452-R2454 VanDerWaalsContact C-N 3.33Å; T2452-R2454 PolarHBondContact O-N 3.13Å |
| 2455 | F | 88.7 | Confident | 67.8 | Low | 58.6 Ų | 58.6 | 67.2 Ų | 67.2 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -127.3 | 142.5 | -175.2 | -60.2 | -62.4 | 0 | 0 | 0 | 110.7 | H2453 H2814 Y2825 Y2827 V2832 | H2453-F2455 VanDerWaalsContact C-N 3.33Å; H2453-F2455 PolarHBondContact O-N 2.82Å; H2453-F2455 VanDerWaalsContact O-N 3.15Å; F2455-H2814 AromaticContact CE1-CE1 3.82Å; F2455-H2814 AromaticContact CE1-ND1 3.96Å; F2455-H2814 AromaticContact CE2-CD2 3.93Å; F2455-H2814 AromaticContact CE2-NE2 3.97Å; F2455-H2814 HydrophobicContact CZ-CB 4.36Å; F2455-H2814 AromaticContact CZ-CD2 3.95Å; F2455-H2814 AromaticContact CZ-CE1 3.59Å; F2455-H2814 AromaticContact CZ-CG 3.69Å; F2455-H2814 AromaticContact CZ-ND1 3.47Å; F2455-H2814 WeakPolarHBondContact CZ-ND1 3.43Å; F2455-H2814 AromaticContact CZ-NE2 3.89Å; F2455-Y2825 AromaticContact CD2-CD1 3.93Å; F2455-Y2825 HydrophobicContact CD2-CD1 3.93Å; F2455-Y2825 AromaticContact CD2-CE1 3.89Å; F2455-Y2825 HydrophobicContact CD2-CE1 3.89Å; F2455-Y2825 HydrophobicContact CD2-CG 4.3Å; F2455-Y2825 AromaticContact CE2-CD1 3.97Å; F2455-Y2825 HydrophobicContact CE2-CD1 4.04Å; F2455-Y2825 HydrophobicContact CE2-CD2 4.03Å; F2455-Y2825 AromaticContact CE2-CE1 3.81Å; F2455-Y2825 HydrophobicContact CE2-CE1 3.81Å; F2455-Y2825 AromaticContact CE2-CE2 3.82Å; F2455-Y2825 HydrophobicContact CE2-CE2 3.82Å; F2455-Y2825 HydrophobicContact CE2-CG 4.12Å; F2455-Y2825 AromaticContact CE2-CZ 3.67Å; F2455-Y2827 HydrophobicContact CB-CE1 4.13Å; F2455-Y2827 WeakPolarHBondContact CD1-OH 3.31Å; F2455-Y2827 WeakPolarHBondContact CD2-OH 3.23Å; F2455-Y2827 HydrophobicContact CG-CE1 4.49Å; F2455-Y2827 VanDerWaalsContact CG-OH 3.27Å; F2455-Y2827 WeakPolarHBondContact CG-OH 3.37Å; F2455-V2832 HydrophobicContact CB-CB 4.21Å; F2455-V2832 HydrophobicContact CB-CG1 3.81Å; F2455-V2832 HydrophobicContact CB-CG2 4.4Å; F2455-V2832 HydrophobicContact CD2-CG1 4.23Å; F2455-V2832 HydrophobicContact CG-CG1 4.46Å |
| 2456 | V | 91.4 | Very high | 71 | Confident | 8.4 Ų | 8.4 | 60.4 Ų | 60.4 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | trans | -93.6 | 130.4 | -178.3 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | Q2472 L2578 S2581 V2583 | V2456-Q2472 PolarHBondContact O-NE2 3.02Å; V2456-L2578 HydrophobicContact CB-CD2 4.02Å; V2456-L2578 HydrophobicContact CG1-CD2 4.21Å; V2456-L2578 VanDerWaalsContact O-CD2 3.24Å; V2456-L2578 WeakPolarHBondContact O-CD2 3.31Å; V2456-S2581 VanDerWaalsContact CG2-O 3.23Å; V2456-S2581 WeakPolarHBondContact CG2-O 3.49Å; V2456-V2583 HydrophobicContact CG1-CG2 4.15Å | ||
| 2457 | G | 94.3 | Very high | 74 | Confident | 5.4 Ų | 5.4 | 56.6 Ų | 56.6 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 179.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K2584 Y2585 Y2586 D2829 | G2457-K2584 PolarHBondContact N-O 3.08Å; G2457-Y2585 CarbonylContact O-C 3.53Å; G2457-Y2585 VanDerWaalsContact O-CA 3.22Å; G2457-Y2585 WeakPolarHBondContact O-CA 3.34Å; G2457-Y2585 WeakPolarHBondContact O-CB 3.39Å; G2457-Y2586 PolarHBondContact O-N 3.22Å; G2457-D2829 CarbonylContact C-O 3.47Å; G2457-D2829 VanDerWaalsContact CA-O 3.24Å; G2457-D2829 WeakPolarHBondContact CA-O 3.38Å |
| 2458 | L | 96.4 | Very high | 77.2 | Confident | 4.4 Ų | 4.4 | 50.2 Ų | 50.2 | 2% | 0.023 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.5 | 170.6 | -68.5 | 172 | 0 | 0 | 0 | 110.7 | N2460 N2468 I2471 Q2472 I2574 L2578 Y2586 P2588 D2829 H2830 | L2458-N2460 PolarHBondContact O-N 3.19Å; L2458-N2468 HydrophobicContact CB-CB 4.1Å; L2458-N2468 WeakPolarHBondContact CB-ND2 3.36Å; L2458-N2468 VanDerWaalsContact CB-OD1 3.31Å; L2458-N2468 WeakPolarHBondContact CB-OD1 3.37Å; L2458-N2468 HydrophobicContact CD1-CB 4.28Å; L2458-N2468 PolarHBondContact O-ND2 3.22Å; L2458-N2468 VanDerWaalsContact O-ND2 3.09Å; L2458-I2471 HydrophobicContact CD1-CB 3.98Å; L2458-I2471 HydrophobicContact CD1-CG2 3.72Å; L2458-Q2472 HydrophobicContact CD1-CG 4.14Å; L2458-I2574 HydrophobicContact CD2-CG2 3.96Å; L2458-L2578 HydrophobicContact CD2-CD2 4.04Å; L2458-L2578 HydrophobicContact CG-CD2 4.27Å; L2458-Y2586 CarbonylContact C-O 3.5Å; L2458-Y2586 WeakPolarHBondContact CA-O 3.44Å; L2458-Y2586 HydrophobicContact CD2-CD1 4.22Å; L2458-P2588 HydrophobicContact CD2-CG 4.45Å; L2458-D2829 PolarHBondContact N-O 3.17Å; L2458-D2829 CarbonylContact O-C 3.45Å; L2458-D2829 VanDerWaalsContact O-CA 3.31Å; L2458-D2829 WeakPolarHBondContact O-CA 3.35Å; L2458-D2829 WeakPolarHBondContact O-CB 3.25Å; L2458-H2830 WeakPolarHBondContact O-CA 3.25Å; L2458-H2830 PolarHBondContact O-N 3.17Å |
| 2459 | K | 95.7 | Very high | 80.3 | Confident | 84.8 Ų | 84.8 | 47.3 Ų | 47.3 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | trans | -63.6 | 139.2 | 174.2 | -167.5 | -178.2 | 176.6 | -177.5 | 0 | 109.5 | N2468 Y2585 Y2586 A2587 W2592 | K2459-N2468 PolarHBondContact O-ND2 3Å; K2459-N2468 VanDerWaalsContact O-ND2 3.13Å; K2459-Y2585 HydrophobicContact CB-CD2 3.83Å; K2459-Y2585 HydrophobicContact CB-CE2 3.9Å; K2459-Y2585 HydrophobicContact CD-CE2 4.22Å; K2459-Y2585 HydrophobicContact CG-CD2 4.43Å; K2459-Y2585 HydrophobicContact CG-CE2 4.05Å; K2459-Y2586 PolarHBondContact N-O 3.28Å; K2459-A2587 HydrophobicContact CB-CB 3.91Å; K2459-A2587 HydrophobicContact CD-CB 3.81Å; K2459-A2587 HydrophobicContact CG-CB 4.46Å; K2459-W2592 HydrophobicContact CB-CH2 4.39Å; K2459-W2592 VanDerWaalsContact O-CZ2 3.31Å; K2459-W2592 WeakPolarHBondContact O-CZ2 3.36Å | ||
| 2460 | N | 94.3 | Very high | 83.4 | Confident | 44.2 Ų | 44.2 | 42.6 Ų | 42.6 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | trans | -88.7 | 129.6 | 167 | -167.5 | -19.5 | 0 | 0 | 0 | 109.6 | L2458 G2462 A2463 T2464 D2829 | L2458-N2460 PolarHBondContact O-N 3.19Å; N2460-G2462 VanDerWaalsContact C-N 3.26Å; N2460-G2462 PolarHBondContact ND2-O 3.11Å; N2460-G2462 PolarHBondContact O-N 3.25Å; N2460-G2462 VanDerWaalsContact OD1-C 3.24Å; N2460-G2462 PolarHBondContact OD1-N 3.21Å; N2460-G2462 PolarHBondContact OD1-O 3.12Å; N2460-A2463 PolarHBondContact OD1-N 2.83Å; N2460-T2464 WeakPolarHBondContact CA-OG1 3.39Å; N2460-T2464 PolarHBondContact OD1-N 2.99Å; N2460-T2464 PolarHBondContact OD1-OG1 2.96Å; N2460-D2829 HydrophobicContact CB-CB 4.23Å; N2460-D2829 VanDerWaalsContact CB-OD2 3.29Å; N2460-D2829 WeakPolarHBondContact CB-OD2 3.4Å; N2460-D2829 PolarHBondContact ND2-OD2 3.03Å | ||
| 2461 | G | 90.7 | Very high | 86.4 | Confident | 26.2 Ų | 26.2 | 36.1 Ų | 36.1 | 27% | 0.27 | 20% | 0.195 | S | C | . | . | trans | -74.8 | -11.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T2464 V2604 | G2461-T2464 PolarHBondContact N-OG1 3.12Å; G2461-V2604 CarbonylContact C-O 3.52Å | ||
| 2462 | G | 91.2 | Very high | 89.3 | Confident | 53.4 Ų | 53.4 | 32.9 Ų | 32.9 | 55% | 0.551 | 18% | 0.178 | S | C | * | . | S | Bend | trans | 144.3 | -58.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | N2460 | N2460-G2462 VanDerWaalsContact C-N 3.26Å; N2460-G2462 PolarHBondContact ND2-O 3.11Å; N2460-G2462 PolarHBondContact O-N 3.25Å; N2460-G2462 VanDerWaalsContact OD1-C 3.24Å; N2460-G2462 PolarHBondContact OD1-N 3.21Å; N2460-G2462 PolarHBondContact OD1-O 3.12Å |
| 2463 | A | 94.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 11% | 0.107 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -124.9 | 18.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N2460 C2465 Y2466 V2604 R2605 E2606 Q2607 | N2460-A2463 PolarHBondContact OD1-N 2.83Å; A2463-C2465 VanDerWaalsContact C-N 3.33Å; A2463-C2465 PolarHBondContact O-N 3.09Å; A2463-C2465 VanDerWaalsContact O-N 3.17Å; A2463-Y2466 WeakPolarHBondContact O-CD1 3.4Å; A2463-Y2466 VanDerWaalsContact O-CE1 3.31Å; A2463-Y2466 WeakPolarHBondContact O-CE1 3.32Å; A2463-V2604 PolarHBondContact N-O 3.03Å; A2463-R2605 VanDerWaalsContact CB-C 3.47Å; A2463-R2605 WeakPolarHBondContact CB-O 3.44Å; A2463-E2606 VanDerWaalsContact CB-C 3.46Å; A2463-E2606 VanDerWaalsContact CB-O 3.29Å; A2463-E2606 WeakPolarHBondContact CB-O 3.29Å; A2463-Q2607 HydrophobicContact CB-CB 4.28Å; A2463-Q2607 PolarHBondContact O-OE1 3.04Å |
| 2464 | T | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 15 | -177.5 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | N2460 G2461 Y2466 M2467 N2468 W2592 V2604 | N2460-T2464 WeakPolarHBondContact CA-OG1 3.39Å; N2460-T2464 PolarHBondContact OD1-N 2.99Å; N2460-T2464 PolarHBondContact OD1-OG1 2.96Å; G2461-T2464 PolarHBondContact N-OG1 3.12Å; T2464-Y2466 VanDerWaalsContact C-N 3.26Å; T2464-Y2466 PolarHBondContact O-N 3.26Å; T2464-M2467 WeakPolarHBondContact O-CB 3.4Å; T2464-M2467 PolarHBondContact O-N 2.97Å; T2464-M2467 VanDerWaalsContact O-N 3.14Å; T2464-N2468 VanDerWaalsContact O-CG 3.29Å; T2464-N2468 PolarHBondContact O-N 3.09Å; T2464-N2468 VanDerWaalsContact O-N 3.12Å; T2464-N2468 PolarHBondContact O-OD1 3.4Å; T2464-W2592 HydrophobicContact CG2-CD2 4.46Å; T2464-W2592 HydrophobicContact CG2-CZ2 4.14Å; T2464-W2592 WeakPolarHBondContact OG1-CZ2 3.37Å; T2464-V2604 HydrophobicContact CG2-CB 3.82Å; T2464-V2604 HydrophobicContact CG2-CG1 4.08Å |
| 2465 | C | 97.4 | Very high | 95.7 | Very high | 12.8 Ų | 12.8 | 18.1 Ų | 18.1 | 9% | 0.086 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.7 | -33.8 | -178.3 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | A2463 M2467 N2468 S2469 Q2607 H2807 Y2808 | A2463-C2465 VanDerWaalsContact C-N 3.33Å; A2463-C2465 PolarHBondContact O-N 3.09Å; A2463-C2465 VanDerWaalsContact O-N 3.17Å; C2465-M2467 VanDerWaalsContact C-N 3.32Å; C2465-M2467 PolarHBondContact O-N 3.16Å; C2465-N2468 PolarHBondContact O-N 3.15Å; C2465-S2469 WeakPolarHBondContact O-CB 3.32Å; C2465-S2469 PolarHBondContact O-N 3.08Å; C2465-S2469 PolarHBondContact O-OG 3.19Å; C2465-Q2607 PolarHBondContact SG-NE2 2.69Å; C2465-Q2607 PolarHBondContact SG-OE1 2.93Å; C2465-Q2607 VanDerWaalsContact SG-OE1 3.36Å; C2465-H2807 VanDerWaalsContact CB-CE1 3.5Å; C2465-H2807 WeakPolarHBondContact CB-CE1 3.34Å; C2465-H2807 VanDerWaalsContact CB-ND1 3.27Å; C2465-H2807 WeakPolarHBondContact CB-ND1 3.34Å; C2465-H2807 PolarHBondContact SG-ND1 3.23Å; C2465-H2807 VanDerWaalsContact SG-ND1 3.4Å; C2465-Y2808 WeakPolarHBondContact CB-O 3.43Å; C2465-Y2808 PolarHBondContact SG-N 3.22Å; C2465-Y2808 VanDerWaalsContact SG-N 3.39Å |
| 2466 | Y | 97.2 | Very high | 95.9 | Very high | 1.4 Ų | 1.4 | 16.3 Ų | 16.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.3 | -47.8 | 174.1 | 68.4 | -91 | 0 | 0 | 0 | 110.6 | A2463 T2464 N2468 S2469 I2470 F2597 H2608 F2613 | A2463-Y2466 WeakPolarHBondContact O-CD1 3.4Å; A2463-Y2466 VanDerWaalsContact O-CE1 3.31Å; A2463-Y2466 WeakPolarHBondContact O-CE1 3.32Å; T2464-Y2466 VanDerWaalsContact C-N 3.26Å; T2464-Y2466 PolarHBondContact O-N 3.26Å; Y2466-N2468 PolarHBondContact O-N 3.37Å; Y2466-S2469 PolarHBondContact O-N 2.9Å; Y2466-S2469 PolarHBondContact O-OG 3.16Å; Y2466-I2470 WeakPolarHBondContact O-CG1 3.36Å; Y2466-I2470 PolarHBondContact O-N 3.14Å; Y2466-F2597 HydrophobicContact CD2-CZ 4.49Å; Y2466-F2597 AromaticContact CE2-CE2 3.79Å; Y2466-F2597 HydrophobicContact CE2-CE2 3.79Å; Y2466-F2597 AromaticContact CE2-CZ 3.7Å; Y2466-F2597 HydrophobicContact CE2-CZ 3.7Å; Y2466-F2597 WeakPolarHBondContact OH-CE2 3.23Å; Y2466-H2608 WeakPolarHBondContact CB-O 3.2Å; Y2466-H2608 HydrophobicContact CD1-CB 4.38Å; Y2466-H2608 HydrophobicContact CD2-CB 4.28Å; Y2466-H2608 HydrophobicContact CE1-CB 4.02Å; Y2466-H2608 AromaticContact CE1-CD2 3.89Å; Y2466-H2608 HydrophobicContact CE2-CB 3.92Å; Y2466-H2608 HydrophobicContact CG-CB 4.49Å; Y2466-H2608 AromaticContact CZ-CD2 3.67Å; Y2466-H2608 PolarHBondContact OH-CD2 2.98Å; Y2466-H2608 VanDerWaalsContact OH-CD2 3.25Å; Y2466-F2613 HydrophobicContact CD2-CB 3.73Å; Y2466-F2613 HydrophobicContact CD2-CD1 4.45Å; Y2466-F2613 HydrophobicContact CD2-CD2 4.45Å; Y2466-F2613 AromaticContact CD2-CG 3.95Å; Y2466-F2613 HydrophobicContact CD2-CG 3.95Å; Y2466-F2613 HydrophobicContact CE2-CB 3.92Å; Y2466-F2613 AromaticContact CE2-CD2 3.98Å; Y2466-F2613 HydrophobicContact CE2-CD2 4.04Å; Y2466-F2613 AromaticContact CE2-CG 3.97Å; Y2466-F2613 HydrophobicContact CE2-CG 3.99Å |
| 2467 | M | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60 | -52.1 | 174.9 | -59.2 | -173.2 | 157.5 | 0 | 0 | 111.9 | T2464 C2465 S2469 I2470 I2471 F2591 F2595 F2597 V2602 F2613 | T2464-M2467 WeakPolarHBondContact O-CB 3.4Å; T2464-M2467 PolarHBondContact O-N 2.97Å; T2464-M2467 VanDerWaalsContact O-N 3.14Å; C2465-M2467 VanDerWaalsContact C-N 3.32Å; C2465-M2467 PolarHBondContact O-N 3.16Å; M2467-S2469 VanDerWaalsContact C-N 3.29Å; M2467-S2469 PolarHBondContact O-N 3.18Å; M2467-I2470 PolarHBondContact O-N 3.31Å; M2467-I2470 VanDerWaalsContact O-N 3.17Å; M2467-I2471 HydrophobicContact CB-CD1 4.18Å; M2467-I2471 WeakPolarHBondContact O-CB 3.37Å; M2467-I2471 VanDerWaalsContact O-CG1 3.28Å; M2467-I2471 WeakPolarHBondContact O-CG1 3.44Å; M2467-I2471 PolarHBondContact O-N 3.14Å; M2467-F2591 HydrophobicContact CE-CE1 4.33Å; M2467-F2591 HydrophobicContact SD-CD1 4.43Å; M2467-F2591 HydrophobicContact SD-CE1 4.04Å; M2467-F2595 HydrophobicContact CE-CD1 3.79Å; M2467-F2595 HydrophobicContact CE-CE1 4.23Å; M2467-F2597 HydrophobicContact CE-CE2 4.24Å; M2467-V2602 HydrophobicContact CE-CB 4.32Å; M2467-V2602 HydrophobicContact CE-CG1 3.8Å; M2467-V2602 HydrophobicContact CE-CG2 3.81Å; M2467-F2613 VanDerWaalsContact CA-CE1 3.5Å; M2467-F2613 HydrophobicContact CB-CD1 4.39Å; M2467-F2613 HydrophobicContact CB-CE1 3.89Å; M2467-F2613 HydrophobicContact CB-CE2 4.24Å; M2467-F2613 HydrophobicContact CB-CZ 3.78Å; M2467-F2613 HydrophobicContact CE-CD2 4.07Å; M2467-F2613 HydrophobicContact CE-CE2 3.75Å; M2467-F2613 HydrophobicContact CG-CD1 4.37Å; M2467-F2613 HydrophobicContact CG-CD2 3.94Å; M2467-F2613 HydrophobicContact CG-CE1 4.13Å; M2467-F2613 HydrophobicContact CG-CE2 3.67Å; M2467-F2613 HydrophobicContact CG-CG 4.27Å; M2467-F2613 HydrophobicContact CG-CZ 3.75Å; M2467-F2613 HydrophobicContact SD-CE2 4.12Å; M2467-F2613 HydrophobicContact SD-CZ 4.41Å |
| 2468 | N | 98 | Very high | 96 | Very high | 6.2 Ų | 6.2 | 18.8 Ų | 18.8 | 3% | 0.033 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | -174.7 | -70.3 | -10 | 0 | 0 | 0 | 111.9 | L2458 K2459 T2464 C2465 Y2466 I2470 Q2472 D2829 | L2458-N2468 HydrophobicContact CB-CB 4.1Å; L2458-N2468 WeakPolarHBondContact CB-ND2 3.36Å; L2458-N2468 VanDerWaalsContact CB-OD1 3.31Å; L2458-N2468 WeakPolarHBondContact CB-OD1 3.37Å; L2458-N2468 HydrophobicContact CD1-CB 4.28Å; L2458-N2468 PolarHBondContact O-ND2 3.22Å; L2458-N2468 VanDerWaalsContact O-ND2 3.09Å; K2459-N2468 PolarHBondContact O-ND2 3Å; K2459-N2468 VanDerWaalsContact O-ND2 3.13Å; T2464-N2468 VanDerWaalsContact O-CG 3.29Å; T2464-N2468 PolarHBondContact O-N 3.09Å; T2464-N2468 VanDerWaalsContact O-N 3.12Å; T2464-N2468 PolarHBondContact O-OD1 3.4Å; C2465-N2468 PolarHBondContact O-N 3.15Å; Y2466-N2468 PolarHBondContact O-N 3.37Å; N2468-I2470 VanDerWaalsContact C-N 3.35Å; N2468-I2470 PolarHBondContact O-N 3.04Å; N2468-Q2472 WeakPolarHBondContact O-CB 3.27Å; N2468-Q2472 VanDerWaalsContact O-CG 3.23Å; N2468-Q2472 WeakPolarHBondContact O-CG 3.3Å; N2468-Q2472 PolarHBondContact O-N 3.21Å; N2468-Q2472 VanDerWaalsContact O-N 3.13Å; N2468-D2829 PolarHBondContact ND2-OD1 3.12Å |
| 2469 | S | 98.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 8% | 0.077 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -41.1 | 179.3 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | C2465 Y2466 M2467 Q2473 S2810 | C2465-S2469 WeakPolarHBondContact O-CB 3.32Å; C2465-S2469 PolarHBondContact O-N 3.08Å; C2465-S2469 PolarHBondContact O-OG 3.19Å; Y2466-S2469 PolarHBondContact O-N 2.9Å; Y2466-S2469 PolarHBondContact O-OG 3.16Å; M2467-S2469 VanDerWaalsContact C-N 3.29Å; M2467-S2469 PolarHBondContact O-N 3.18Å; S2469-Q2473 WeakPolarHBondContact O-CB 3.31Å; S2469-Q2473 WeakPolarHBondContact O-CG 3.3Å; S2469-Q2473 PolarHBondContact O-N 3.36Å; S2469-S2810 PolarHBondContact O-OG 2.96Å |
| 2470 | I | 98.3 | Very high | 95.8 | Very high | 3.2 Ų | 3.2 | 15.1 Ų | 15.1 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -74.5 | -47.3 | 179.4 | -64.9 | -57.7 | 0 | 0 | 0 | 111.9 | Y2466 M2467 N2468 Q2472 Q2473 L2474 A2610 F2613 F2614 V2797 L2876 | Y2466-I2470 WeakPolarHBondContact O-CG1 3.36Å; Y2466-I2470 PolarHBondContact O-N 3.14Å; M2467-I2470 PolarHBondContact O-N 3.31Å; M2467-I2470 VanDerWaalsContact O-N 3.17Å; N2468-I2470 VanDerWaalsContact C-N 3.35Å; N2468-I2470 PolarHBondContact O-N 3.04Å; I2470-Q2472 PolarHBondContact O-N 3.12Å; I2470-Q2473 PolarHBondContact O-N 3.09Å; I2470-Q2473 VanDerWaalsContact O-N 3.12Å; I2470-L2474 HydrophobicContact CG2-CD1 3.96Å; I2470-L2474 HydrophobicContact CG2-CG 4.36Å; I2470-L2474 WeakPolarHBondContact O-CG 3.4Å; I2470-L2474 PolarHBondContact O-N 3.13Å; I2470-A2610 HydrophobicContact CD1-CB 4.24Å; I2470-A2610 HydrophobicContact CG1-CB 4.09Å; I2470-A2610 WeakPolarHBondContact CG1-O 3.26Å; I2470-F2613 HydrophobicContact CB-CD1 3.9Å; I2470-F2613 HydrophobicContact CB-CE1 3.99Å; I2470-F2613 HydrophobicContact CG1-CD1 4.11Å; I2470-F2613 HydrophobicContact CG2-CD1 3.99Å; I2470-F2613 HydrophobicContact CG2-CE1 3.99Å; I2470-F2614 HydrophobicContact CD1-CB 4.05Å; I2470-F2614 HydrophobicContact CG1-CB 4.25Å; I2470-F2614 HydrophobicContact CG2-CB 3.92Å; I2470-F2614 HydrophobicContact CG2-CD2 3.83Å; I2470-F2614 HydrophobicContact CG2-CG 4.37Å; I2470-V2797 HydrophobicContact CD1-CG2 4.29Å; I2470-L2876 HydrophobicContact CD1-CD1 3.67Å |
| 2471 | I | 98.4 | Very high | 95.8 | Very high | 0.8 Ų | 0.8 | 15.1 Ų | 15.1 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.1 | -41.1 | 179.5 | -68.2 | 167.5 | 0 | 0 | 0 | 110.3 | L2458 M2467 L2474 F2475 M2571 I2574 F2575 L2578 F2591 F2613 L2617 | L2458-I2471 HydrophobicContact CD1-CB 3.98Å; L2458-I2471 HydrophobicContact CD1-CG2 3.72Å; M2467-I2471 HydrophobicContact CB-CD1 4.18Å; M2467-I2471 WeakPolarHBondContact O-CB 3.37Å; M2467-I2471 VanDerWaalsContact O-CG1 3.28Å; M2467-I2471 WeakPolarHBondContact O-CG1 3.44Å; M2467-I2471 PolarHBondContact O-N 3.14Å; I2471-L2474 PolarHBondContact O-N 3.14Å; I2471-F2475 VanDerWaalsContact O-CB 3.25Å; I2471-F2475 WeakPolarHBondContact O-CB 3.23Å; I2471-F2475 PolarHBondContact O-N 3.21Å; I2471-M2571 HydrophobicContact CB-CE 4.48Å; I2471-M2571 HydrophobicContact CG1-CE 4.25Å; I2471-M2571 HydrophobicContact CG1-SD 4.43Å; I2471-M2571 HydrophobicContact CG2-CE 4.22Å; I2471-M2571 HydrophobicContact CG2-SD 4.22Å; I2471-I2574 HydrophobicContact CD1-CD1 4.36Å; I2471-I2574 HydrophobicContact CG2-CG2 3.85Å; I2471-F2575 HydrophobicContact CG2-CE1 4.15Å; I2471-L2578 HydrophobicContact CG2-CD1 4.32Å; I2471-F2591 HydrophobicContact CD1-CD1 4.47Å; I2471-F2591 HydrophobicContact CD1-CE1 4.16Å; I2471-F2591 HydrophobicContact CD1-CZ 4.44Å; I2471-F2613 HydrophobicContact CD1-CE1 4.44Å; I2471-F2613 HydrophobicContact CD1-CZ 4.14Å; I2471-F2613 HydrophobicContact CG1-CE1 4.1Å; I2471-F2613 HydrophobicContact CG1-CZ 4.19Å; I2471-L2617 HydrophobicContact CG1-CD2 4.32Å |
| 2472 | Q | 97.8 | Very high | 95.9 | Very high | 14.6 Ų | 14.6 | 16 Ų | 16 | 7% | 0.068 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.9 | -40.5 | 175.3 | -70.8 | -75.7 | 2.9 | 0 | 0 | 112.4 | V2456 L2458 N2468 I2470 L2474 F2475 T2476 I2812 Y2827 | V2456-Q2472 PolarHBondContact O-NE2 3.02Å; L2458-Q2472 HydrophobicContact CD1-CG 4.14Å; N2468-Q2472 WeakPolarHBondContact O-CB 3.27Å; N2468-Q2472 VanDerWaalsContact O-CG 3.23Å; N2468-Q2472 WeakPolarHBondContact O-CG 3.3Å; N2468-Q2472 PolarHBondContact O-N 3.21Å; N2468-Q2472 VanDerWaalsContact O-N 3.13Å; I2470-Q2472 PolarHBondContact O-N 3.12Å; Q2472-L2474 PolarHBondContact O-N 3.04Å; Q2472-F2475 PolarHBondContact O-N 3.01Å; Q2472-T2476 WeakPolarHBondContact O-CG2 3.29Å; Q2472-T2476 PolarHBondContact O-N 3.22Å; Q2472-I2812 HydrophobicContact CB-CD1 4.29Å; Q2472-I2812 WeakPolarHBondContact O-CD1 3.32Å; Q2472-Y2827 HydrophobicContact CB-CD1 4.13Å; Q2472-Y2827 HydrophobicContact CB-CG 4.4Å; Q2472-Y2827 VanDerWaalsContact CD-CD1 3.49Å; Q2472-Y2827 HydrophobicContact CG-CD1 3.94Å; Q2472-Y2827 HydrophobicContact CG-CG 4.48Å |
| 2473 | Q | 97.9 | Very high | 96 | Very high | 12.6 Ų | 12.6 | 13.7 Ų | 13.7 | 6% | 0.059 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.1 | -49.9 | 175.1 | -83 | -55.8 | 11.5 | 0 | 0 | 111.1 | S2469 I2470 F2475 T2476 V2797 S2810 F2811 F2878 | S2469-Q2473 WeakPolarHBondContact O-CB 3.31Å; S2469-Q2473 WeakPolarHBondContact O-CG 3.3Å; S2469-Q2473 PolarHBondContact O-N 3.36Å; I2470-Q2473 PolarHBondContact O-N 3.09Å; I2470-Q2473 VanDerWaalsContact O-N 3.12Å; Q2473-F2475 PolarHBondContact O-N 3.14Å; Q2473-T2476 PolarHBondContact NE2-OG1 3.21Å; Q2473-T2476 PolarHBondContact O-N 3Å; Q2473-T2476 PolarHBondContact O-OG1 3.2Å; Q2473-V2797 HydrophobicContact CG-CG2 3.88Å; Q2473-S2810 WeakPolarHBondContact CG-OG 3.31Å; Q2473-S2810 PolarHBondContact NE2-OG 3.21Å; Q2473-F2811 PolarHBondContact NE2-O 3.25Å; Q2473-F2878 HydrophobicContact CB-CE1 4.42Å; Q2473-F2878 HydrophobicContact CB-CE2 4.2Å; Q2473-F2878 HydrophobicContact CB-CZ 4.13Å; Q2473-F2878 HydrophobicContact CG-CD2 4.1Å; Q2473-F2878 HydrophobicContact CG-CE2 3.85Å; Q2473-F2878 HydrophobicContact CG-CZ 4.28Å |
| 2474 | L | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 178.2 | -70.8 | 174.6 | 0 | 0 | 0 | 112.4 | I2470 I2471 Q2472 T2476 L2477 I2480 M2571 F2575 F2614 L2617 L2638 | I2470-L2474 HydrophobicContact CG2-CD1 3.96Å; I2470-L2474 HydrophobicContact CG2-CG 4.36Å; I2470-L2474 WeakPolarHBondContact O-CG 3.4Å; I2470-L2474 PolarHBondContact O-N 3.13Å; I2471-L2474 PolarHBondContact O-N 3.14Å; Q2472-L2474 PolarHBondContact O-N 3.04Å; L2474-T2476 PolarHBondContact O-N 3.12Å; L2474-L2477 WeakPolarHBondContact O-CB 3.4Å; L2474-L2477 PolarHBondContact O-N 3.22Å; L2474-L2477 VanDerWaalsContact O-N 3.08Å; L2474-I2480 HydrophobicContact CD2-CD1 3.97Å; L2474-M2571 HydrophobicContact CB-CE 4.36Å; L2474-M2571 HydrophobicContact CD1-CE 4.2Å; L2474-F2575 HydrophobicContact CB-CZ 4.18Å; L2474-F2614 HydrophobicContact CD2-CD2 4.47Å; L2474-F2614 HydrophobicContact CD2-CE2 3.99Å; L2474-L2617 HydrophobicContact CD1-CD2 3.84Å; L2474-L2617 HydrophobicContact CD1-CG 4.49Å; L2474-L2638 HydrophobicContact CD2-CD1 4.1Å |
| 2475 | F | 97 | Very high | 95.9 | Very high | 17.8 Ų | 17.8 | 13.6 Ų | 13.6 | 8% | 0.078 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.1 | -32.7 | 179.1 | 173.7 | -106.2 | 0 | 0 | 0 | 113.5 | I2471 Q2472 Q2473 L2477 R2481 F2575 L2578 A2579 | I2471-F2475 VanDerWaalsContact O-CB 3.25Å; I2471-F2475 WeakPolarHBondContact O-CB 3.23Å; I2471-F2475 PolarHBondContact O-N 3.21Å; Q2472-F2475 PolarHBondContact O-N 3.01Å; Q2473-F2475 PolarHBondContact O-N 3.14Å; F2475-L2477 VanDerWaalsContact C-N 3.28Å; F2475-L2477 PolarHBondContact O-N 3.07Å; F2475-R2481 HydrophobicContact CD2-CG 3.85Å; F2475-R2481 HydrophobicContact CE2-CG 3.75Å; F2475-R2481 WeakPolarHBondContact O-CB 3.33Å; F2475-R2481 PolarHBondContact O-NH1 3.26Å; F2475-F2575 VanDerWaalsContact CA-CZ 3.44Å; F2475-F2575 HydrophobicContact CB-CD1 4.09Å; F2475-F2575 HydrophobicContact CB-CE1 3.6Å; F2475-F2575 HydrophobicContact CB-CZ 3.89Å; F2475-F2575 HydrophobicContact CD2-CB 4.12Å; F2475-F2575 AromaticContact CD2-CD1 3.74Å; F2475-F2575 HydrophobicContact CD2-CD1 3.74Å; F2475-F2575 HydrophobicContact CD2-CD2 4.18Å; F2475-F2575 HydrophobicContact CD2-CE1 4.09Å; F2475-F2575 HydrophobicContact CD2-CE2 4.45Å; F2475-F2575 AromaticContact CD2-CG 3.77Å; F2475-F2575 HydrophobicContact CD2-CG 3.77Å; F2475-F2575 HydrophobicContact CD2-CZ 4.45Å; F2475-F2575 HydrophobicContact CE2-CB 4.38Å; F2475-F2575 HydrophobicContact CE2-CG 4.38Å; F2475-F2575 WeakPolarHBondContact CE2-O 3.34Å; F2475-F2575 HydrophobicContact CG-CD1 4.35Å; F2475-F2575 HydrophobicContact CG-CE1 4.33Å; F2475-L2578 HydrophobicContact CB-CD1 3.85Å; F2475-L2578 HydrophobicContact CD1-CB 3.92Å; F2475-L2578 HydrophobicContact CD1-CD1 3.99Å; F2475-L2578 HydrophobicContact CD2-CB 3.79Å; F2475-L2578 HydrophobicContact CD2-CD1 3.95Å; F2475-L2578 HydrophobicContact CE1-CB 3.7Å; F2475-L2578 HydrophobicContact CE2-CB 3.55Å; F2475-L2578 HydrophobicContact CG-CB 3.97Å; F2475-L2578 HydrophobicContact CG-CD1 3.63Å; F2475-L2578 HydrophobicContact CG-CG 4.44Å; F2475-L2578 VanDerWaalsContact CZ-C 3.41Å; F2475-L2578 HydrophobicContact CZ-CB 3.52Å; F2475-L2578 WeakPolarHBondContact CZ-O 3.36Å; F2475-A2579 HydrophobicContact CE2-CB 4.06Å; F2475-A2579 HydrophobicContact CZ-CB 3.97Å |
| 2476 | T | 94.1 | Very high | 95.5 | Very high | 20.2 Ų | 20.2 | 14.8 Ų | 14.8 | 12% | 0.124 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -75.2 | -17.2 | 178.3 | 69.3 | 0 | 0 | 0 | 0 | 113.5 | Q2472 Q2473 L2474 D2478 R2794 I2812 | Q2472-T2476 WeakPolarHBondContact O-CG2 3.29Å; Q2472-T2476 PolarHBondContact O-N 3.22Å; Q2473-T2476 PolarHBondContact NE2-OG1 3.21Å; Q2473-T2476 PolarHBondContact O-N 3Å; Q2473-T2476 PolarHBondContact O-OG1 3.2Å; L2474-T2476 PolarHBondContact O-N 3.12Å; T2476-D2478 PolarHBondContact O-N 3.25Å; T2476-D2478 VanDerWaalsContact O-N 3.08Å; T2476-R2794 VanDerWaalsContact CB-NH2 3.28Å; T2476-R2794 PolarHBondContact O-NH2 3.2Å; T2476-R2794 PolarHBondContact OG1-NH2 3.1Å; T2476-I2812 HydrophobicContact CG2-CD1 3.72Å; T2476-I2812 HydrophobicContact CG2-CG2 3.98Å |
| 2477 | L | 94.6 | Very high | 95.2 | Very high | 6.8 Ų | 6.8 | 14.9 Ų | 14.9 | 4% | 0.036 | 8% | 0.081 | C | C | . | . | trans | -77.8 | 98.4 | 177.6 | -63.2 | 178.8 | 0 | 0 | 0 | 109.3 | L2474 F2475 P2479 I2480 R2481 V2637 L2638 V2716 F2884 | L2474-L2477 WeakPolarHBondContact O-CB 3.4Å; L2474-L2477 PolarHBondContact O-N 3.22Å; L2474-L2477 VanDerWaalsContact O-N 3.08Å; F2475-L2477 VanDerWaalsContact C-N 3.28Å; F2475-L2477 PolarHBondContact O-N 3.07Å; L2477-P2479 VanDerWaalsContact C-CD 3.46Å; L2477-P2479 VanDerWaalsContact C-N 3.28Å; L2477-P2479 VanDerWaalsContact O-N 3.1Å; L2477-I2480 HydrophobicContact CB-CB 4.31Å; L2477-I2480 HydrophobicContact CB-CD1 4.21Å; L2477-I2480 HydrophobicContact CB-CG1 4.25Å; L2477-I2480 HydrophobicContact CD1-CD1 3.78Å; L2477-I2480 PolarHBondContact O-N 3.08Å; L2477-R2481 PolarHBondContact O-N 3.07Å; L2477-V2637 HydrophobicContact CD1-CG1 4.44Å; L2477-L2638 HydrophobicContact CD1-CD1 4.45Å; L2477-L2638 HydrophobicContact CD1-CD2 4.3Å; L2477-V2716 HydrophobicContact CD2-CG1 4.49Å; L2477-V2716 HydrophobicContact CD2-CG2 3.83Å; L2477-F2884 HydrophobicContact CD2-CZ 4.29Å | ||
| 2478 | D | 92.1 | Very high | 94.8 | Very high | 58.6 Ų | 58.6 | 19 Ų | 19 | 31% | 0.313 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -44.3 | -47.5 | -175.4 | -56.3 | -51.4 | 0 | 0 | 0 | 113.7 | T2476 I2480 R2481 D2482 | T2476-D2478 PolarHBondContact O-N 3.25Å; T2476-D2478 VanDerWaalsContact O-N 3.08Å; D2478-I2480 VanDerWaalsContact C-N 3.31Å; D2478-I2480 PolarHBondContact O-N 3.14Å; D2478-R2481 PolarHBondContact O-N 3.22Å; D2478-R2481 IonicContact OD1-CZ 3.41Å; D2478-R2481 IonicContact OD1-NH1 3.34Å; D2478-R2481 PolarHBondContact OD1-NH1 3.08Å; D2478-R2481 IonicContact OD1-NH2 3.15Å; D2478-R2481 PolarHBondContact OD1-NH2 3.18Å; D2478-D2482 VanDerWaalsContact O-CB 3.28Å; D2478-D2482 WeakPolarHBondContact O-CB 3.34Å; D2478-D2482 PolarHBondContact O-N 3.05Å |
| 2479 | P | 93.4 | Very high | 94.4 | Very high | 12 Ų | 12 | 18.7 Ų | 18.7 | 8% | 0.078 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 179.7 | -15.9 | 25.1 | 0 | 0 | 0 | 114.1 | L2477 C2483 I2633 V2637 F2884 I2888 I2891 I2893 | L2477-P2479 VanDerWaalsContact C-CD 3.46Å; L2477-P2479 VanDerWaalsContact C-N 3.28Å; L2477-P2479 VanDerWaalsContact O-N 3.1Å; P2479-C2483 WeakPolarHBondContact O-CB 3.16Å; P2479-C2483 PolarHBondContact O-N 3.24Å; P2479-C2483 VanDerWaalsContact O-N 3.16Å; P2479-I2633 HydrophobicContact CB-CD1 4.1Å; P2479-I2633 HydrophobicContact CB-CG1 4.35Å; P2479-V2637 HydrophobicContact CB-CG2 3.85Å; P2479-V2637 HydrophobicContact CG-CG1 4.48Å; P2479-V2637 HydrophobicContact CG-CG2 4.13Å; P2479-F2884 HydrophobicContact CG-CE2 4.35Å; P2479-F2884 HydrophobicContact CG-CZ 4.21Å; P2479-I2888 HydrophobicContact CB-CG1 4.46Å; P2479-I2888 HydrophobicContact CG-CB 4.46Å; P2479-I2888 HydrophobicContact CG-CD1 3.74Å; P2479-I2888 VanDerWaalsContact CG-CD1 3.41Å; P2479-I2888 HydrophobicContact CG-CG1 3.71Å; P2479-I2888 HydrophobicContact CG-CG2 4.14Å; P2479-I2891 HydrophobicContact CB-CD1 4.5Å; P2479-I2893 HydrophobicContact CB-CD1 3.55Å; P2479-I2893 VanDerWaalsContact CB-CD1 3.46Å; P2479-I2893 HydrophobicContact CG-CD1 4.38Å |
| 2480 | I | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -71.2 | -45.6 | -179.5 | -59.8 | -176.7 | 0 | 0 | 0 | 109.4 | L2474 L2477 D2478 D2482 I2484 F2575 I2633 V2637 L2638 | L2474-I2480 HydrophobicContact CD2-CD1 3.97Å; L2477-I2480 HydrophobicContact CB-CB 4.31Å; L2477-I2480 HydrophobicContact CB-CD1 4.21Å; L2477-I2480 HydrophobicContact CB-CG1 4.25Å; L2477-I2480 HydrophobicContact CD1-CD1 3.78Å; L2477-I2480 PolarHBondContact O-N 3.08Å; D2478-I2480 VanDerWaalsContact C-N 3.31Å; D2478-I2480 PolarHBondContact O-N 3.14Å; I2480-D2482 PolarHBondContact O-N 3.36Å; I2480-I2484 HydrophobicContact CG2-CD1 3.77Å; I2480-I2484 HydrophobicContact CG2-CG1 4.48Å; I2480-I2484 WeakPolarHBondContact O-CB 3.33Å; I2480-I2484 VanDerWaalsContact O-CG1 3.31Å; I2480-I2484 WeakPolarHBondContact O-CG1 3.41Å; I2480-I2484 PolarHBondContact O-N 3.08Å; I2480-F2575 HydrophobicContact CG2-CE2 4.47Å; I2480-I2633 HydrophobicContact CB-CG2 4.48Å; I2480-I2633 HydrophobicContact CG1-CG1 4.26Å; I2480-I2633 HydrophobicContact CG1-CG2 4.34Å; I2480-I2633 HydrophobicContact CG2-CG2 4.35Å; I2480-V2637 HydrophobicContact CD1-CB 4.33Å; I2480-V2637 HydrophobicContact CD1-CG1 4.38Å; I2480-V2637 HydrophobicContact CG1-CB 4.36Å; I2480-V2637 HydrophobicContact CG1-CG1 4.49Å; I2480-V2637 HydrophobicContact CG1-CG2 4.18Å; I2480-L2638 HydrophobicContact CD1-CD1 3.76Å; I2480-L2638 HydrophobicContact CD1-CG 4.5Å |
| 2481 | R | 94.9 | Very high | 93 | Very high | 44.8 Ų | 44.8 | 23.1 Ų | 23.1 | 17% | 0.169 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -52.7 | 176.3 | -177.1 | -165.7 | 62.2 | -122.3 | -4.7 | 111.6 | F2475 L2477 D2478 C2483 I2484 L2485 F2575 | F2475-R2481 HydrophobicContact CD2-CG 3.85Å; F2475-R2481 HydrophobicContact CE2-CG 3.75Å; F2475-R2481 WeakPolarHBondContact O-CB 3.33Å; F2475-R2481 PolarHBondContact O-NH1 3.26Å; L2477-R2481 PolarHBondContact O-N 3.07Å; D2478-R2481 PolarHBondContact O-N 3.22Å; D2478-R2481 IonicContact OD1-CZ 3.41Å; D2478-R2481 IonicContact OD1-NH1 3.34Å; D2478-R2481 PolarHBondContact OD1-NH1 3.08Å; D2478-R2481 IonicContact OD1-NH2 3.15Å; D2478-R2481 PolarHBondContact OD1-NH2 3.18Å; R2481-C2483 VanDerWaalsContact C-N 3.34Å; R2481-C2483 PolarHBondContact O-N 3.28Å; R2481-I2484 PolarHBondContact O-N 3.08Å; R2481-L2485 HydrophobicContact CG-CD1 3.87Å; R2481-L2485 HydrophobicContact CG-CG 4.28Å; R2481-L2485 WeakPolarHBondContact O-CB 3.31Å; R2481-L2485 VanDerWaalsContact O-CG 3.26Å; R2481-L2485 WeakPolarHBondContact O-CG 3.32Å; R2481-L2485 PolarHBondContact O-N 2.96Å; R2481-F2575 HydrophobicContact CB-CD2 4.21Å; R2481-F2575 HydrophobicContact CB-CE2 4.18Å; R2481-F2575 HydrophobicContact CG-CD2 4.03Å; R2481-F2575 HydrophobicContact CG-CE2 4.45Å |
| 2482 | D | 92 | Very high | 92.3 | Very high | 45.8 Ų | 45.8 | 25.1 Ų | 25.1 | 25% | 0.245 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.5 | -35.5 | -171.8 | -64.4 | -7.7 | 0 | 0 | 0 | 110.8 | D2478 I2480 S2486 I2893 L2896 | D2478-D2482 VanDerWaalsContact O-CB 3.28Å; D2478-D2482 WeakPolarHBondContact O-CB 3.34Å; D2478-D2482 PolarHBondContact O-N 3.05Å; I2480-D2482 PolarHBondContact O-N 3.36Å; D2482-S2486 VanDerWaalsContact O-CB 3.3Å; D2482-S2486 WeakPolarHBondContact O-CB 3.34Å; D2482-S2486 PolarHBondContact O-N 3.18Å; D2482-S2486 VanDerWaalsContact O-N 3.09Å; D2482-S2486 PolarHBondContact O-OG 3.31Å; D2482-I2893 HydrophobicContact CB-CG2 4.36Å; D2482-L2896 HydrophobicContact CB-CD1 3.65Å; D2482-L2896 VanDerWaalsContact CG-CD1 3.5Å |
| 2483 | C | 93.4 | Very high | 91.7 | Very high | 3.2 Ų | 3.2 | 25.4 Ų | 25.4 | 2% | 0.022 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -51.5 | 171.7 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | P2479 R2481 L2485 S2486 A2487 I2633 I2893 | P2479-C2483 WeakPolarHBondContact O-CB 3.16Å; P2479-C2483 PolarHBondContact O-N 3.24Å; P2479-C2483 VanDerWaalsContact O-N 3.16Å; R2481-C2483 VanDerWaalsContact C-N 3.34Å; R2481-C2483 PolarHBondContact O-N 3.28Å; C2483-L2485 VanDerWaalsContact C-N 3.34Å; C2483-L2485 PolarHBondContact O-N 3.21Å; C2483-S2486 PolarHBondContact O-N 3Å; C2483-S2486 VanDerWaalsContact O-N 3.1Å; C2483-S2486 PolarHBondContact O-OG 3.17Å; C2483-A2487 PolarHBondContact O-N 2.97Å; C2483-A2487 VanDerWaalsContact O-N 3.16Å; C2483-I2633 HydrophobicContact CB-CB 4.18Å; C2483-I2633 HydrophobicContact CB-CG1 3.93Å; C2483-I2633 HydrophobicContact CB-CG2 4.13Å; C2483-I2893 HydrophobicContact CB-CG2 4.17Å |
| 2484 | I | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 178.5 | -73.2 | 173 | 0 | 0 | 0 | 111.5 | I2480 R2481 S2486 A2487 L2568 M2571 Q2572 F2575 L2621 L2625 | I2480-I2484 HydrophobicContact CG2-CD1 3.77Å; I2480-I2484 HydrophobicContact CG2-CG1 4.48Å; I2480-I2484 WeakPolarHBondContact O-CB 3.33Å; I2480-I2484 VanDerWaalsContact O-CG1 3.31Å; I2480-I2484 WeakPolarHBondContact O-CG1 3.41Å; I2480-I2484 PolarHBondContact O-N 3.08Å; R2481-I2484 PolarHBondContact O-N 3.08Å; I2484-S2486 VanDerWaalsContact C-N 3.26Å; I2484-S2486 PolarHBondContact O-N 3.22Å; I2484-A2487 PolarHBondContact O-N 3.09Å; I2484-L2568 HydrophobicContact CB-CD1 4.4Å; I2484-L2568 HydrophobicContact CG1-CD1 4.06Å; I2484-L2568 HydrophobicContact CG2-CD1 4.1Å; I2484-M2571 HydrophobicContact CD1-CG 4.2Å; I2484-M2571 HydrophobicContact CG2-CG 4.36Å; I2484-Q2572 HydrophobicContact CG2-CB 4.16Å; I2484-Q2572 HydrophobicContact CG2-CG 3.73Å; I2484-Q2572 VanDerWaalsContact O-CG 3.27Å; I2484-Q2572 WeakPolarHBondContact O-CG 3.4Å; I2484-Q2572 PolarHBondContact O-NE2 3.01Å; I2484-F2575 HydrophobicContact CB-CD2 4Å; I2484-F2575 HydrophobicContact CB-CE2 4.26Å; I2484-F2575 HydrophobicContact CD1-CD2 4.28Å; I2484-F2575 HydrophobicContact CD1-CE2 3.75Å; I2484-F2575 HydrophobicContact CD1-CZ 4.37Å; I2484-F2575 HydrophobicContact CG2-CD2 3.77Å; I2484-F2575 HydrophobicContact CG2-CE2 4.32Å; I2484-F2575 HydrophobicContact CG2-CG 4.36Å; I2484-L2621 HydrophobicContact CD1-CD1 3.92Å; I2484-L2621 HydrophobicContact CD1-CD2 4.06Å; I2484-L2621 HydrophobicContact CD1-CG 4.5Å; I2484-L2625 HydrophobicContact CG1-CD1 4.39Å |
| 2485 | L | 92.9 | Very high | 89.3 | Confident | 12.2 Ų | 12.2 | 33.3 Ų | 33.3 | 6% | 0.064 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -26.4 | 176.6 | -71 | -178.2 | 0 | 0 | 0 | 113.3 | R2481 C2483 Q2572 F2575 A2579 Y2580 L2896 R2904 L2905 | R2481-L2485 HydrophobicContact CG-CD1 3.87Å; R2481-L2485 HydrophobicContact CG-CG 4.28Å; R2481-L2485 WeakPolarHBondContact O-CB 3.31Å; R2481-L2485 VanDerWaalsContact O-CG 3.26Å; R2481-L2485 WeakPolarHBondContact O-CG 3.32Å; R2481-L2485 PolarHBondContact O-N 2.96Å; C2483-L2485 VanDerWaalsContact C-N 3.34Å; C2483-L2485 PolarHBondContact O-N 3.21Å; L2485-Q2572 HydrophobicContact CD2-CG 4.42Å; L2485-Q2572 PolarHBondContact O-NE2 3.11Å; L2485-F2575 HydrophobicContact CD2-CB 3.68Å; L2485-F2575 HydrophobicContact CG-CB 4.2Å; L2485-A2579 HydrophobicContact CD1-CB 4.45Å; L2485-Y2580 HydrophobicContact CD1-CE2 4.31Å; L2485-L2896 HydrophobicContact CB-CD1 4.22Å; L2485-L2896 HydrophobicContact CB-CD2 4.22Å; L2485-L2896 HydrophobicContact CD1-CD2 4.45Å; L2485-R2904 CarbonylContact C-O 3.5Å; L2485-R2904 VanDerWaalsContact O-O 3.08Å; L2485-L2905 HydrophobicContact CB-CD1 4.46Å; L2485-L2905 HydrophobicContact CD1-CD1 4.35Å; L2485-L2905 HydrophobicContact CD2-CD1 3.71Å; L2485-L2905 HydrophobicContact CG-CD1 4.37Å |
| 2486 | S | 89.7 | Confident | 87.8 | Confident | 38.6 Ų | 38.6 | 33.1 Ų | 33.1 | 27% | 0.27 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -84.5 | -14.9 | 178.4 | 76.3 | 0 | 0 | 0 | 0 | 115.1 | D2482 C2483 I2484 | D2482-S2486 VanDerWaalsContact O-CB 3.3Å; D2482-S2486 WeakPolarHBondContact O-CB 3.34Å; D2482-S2486 PolarHBondContact O-N 3.18Å; D2482-S2486 VanDerWaalsContact O-N 3.09Å; D2482-S2486 PolarHBondContact O-OG 3.31Å; C2483-S2486 PolarHBondContact O-N 3Å; C2483-S2486 VanDerWaalsContact O-N 3.1Å; C2483-S2486 PolarHBondContact O-OG 3.17Å; I2484-S2486 VanDerWaalsContact C-N 3.26Å; I2484-S2486 PolarHBondContact O-N 3.22Å |
| 2487 | A | 90.6 | Very high | 86.5 | Confident | 3.4 Ų | 3.4 | 37.4 Ų | 37.4 | 3% | 0.028 | 20% | 0.197 | C | C | . | . | trans | -67.4 | 157.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C2483 I2484 P2489 L2568 Q2572 L2625 L2630 T2906 | C2483-A2487 PolarHBondContact O-N 2.97Å; C2483-A2487 VanDerWaalsContact O-N 3.16Å; I2484-A2487 PolarHBondContact O-N 3.09Å; A2487-P2489 VanDerWaalsContact C-CD 3.47Å; A2487-L2568 HydrophobicContact CB-CD1 4.42Å; A2487-L2568 HydrophobicContact CB-CD2 4Å; A2487-L2568 HydrophobicContact CB-CG 4.44Å; A2487-Q2572 PolarHBondContact O-NE2 3.08Å; A2487-L2625 HydrophobicContact CB-CD2 4.03Å; A2487-L2630 HydrophobicContact CB-CD1 3.73Å; A2487-T2906 WeakPolarHBondContact O-CG2 3.19Å | ||
| 2488 | N | 88.9 | Confident | 85 | Confident | 85.4 Ų | 85.4 | 40.3 Ų | 40.3 | 46% | 0.457 | 21% | 0.212 | S | C | . | . | trans | -130.8 | 68 | 175.1 | -172.8 | -7.4 | 0 | 0 | 0 | 110.9 | E2490 S2491 | N2488-E2490 VanDerWaalsContact C-OE2 3.27Å; N2488-E2490 VanDerWaalsContact CA-OE2 3.31Å; N2488-E2490 WeakPolarHBondContact CA-OE2 3.43Å; N2488-E2490 PolarHBondContact O-N 2.97Å; N2488-E2490 VanDerWaalsContact O-N 3.16Å; N2488-E2490 PolarHBondContact OD1-N 3.11Å; N2488-E2490 PolarHBondContact OD1-OE2 3.29Å; N2488-E2490 VanDerWaalsContact OD1-OE2 3.14Å; N2488-S2491 PolarHBondContact O-N 3.07Å; N2488-S2491 PolarHBondContact O-OG 3.12Å; N2488-S2491 PolarHBondContact OD1-N 3.2Å; N2488-S2491 VanDerWaalsContact OD1-N 3.12Å; N2488-S2491 PolarHBondContact OD1-OG 3.28Å | ||
| 2489 | P | 89.4 | Confident | 83.2 | Confident | 0.2 Ų | 0.2 | 40.1 Ų | 40.1 | 0% | 0.001 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -22 | 177.2 | 28.4 | -35.4 | 0 | 0 | 0 | 112.7 | A2487 S2491 L2492 L2493 L2565 L2568 Y2569 | A2487-P2489 VanDerWaalsContact C-CD 3.47Å; P2489-S2491 VanDerWaalsContact C-N 3.31Å; P2489-S2491 PolarHBondContact O-N 3.01Å; P2489-L2492 PolarHBondContact O-N 3.36Å; P2489-L2493 HydrophobicContact CB-CD1 4.45Å; P2489-L2493 WeakPolarHBondContact O-CB 3.21Å; P2489-L2493 WeakPolarHBondContact O-CG 3.35Å; P2489-L2493 PolarHBondContact O-N 3.01Å; P2489-L2565 HydrophobicContact CB-CB 4.45Å; P2489-L2565 HydrophobicContact CB-CD2 4.06Å; P2489-L2568 HydrophobicContact CB-CD2 4.32Å; P2489-L2568 HydrophobicContact CB-CG 4.48Å; P2489-L2568 HydrophobicContact CG-CD2 4.46Å; P2489-L2568 HydrophobicContact CG-CG 4.28Å; P2489-Y2569 HydrophobicContact CG-CD2 4.33Å |
| 2490 | E | 85 | Confident | 81.5 | Confident | 51.4 Ų | 51.4 | 43.4 Ų | 43.4 | 24% | 0.24 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57 | -43 | -179.9 | -66.4 | 122.2 | -172.2 | 0 | 0 | 112.3 | N2488 L2492 L2493 M2494 Y2569 Q2572 R2908 | N2488-E2490 VanDerWaalsContact C-OE2 3.27Å; N2488-E2490 VanDerWaalsContact CA-OE2 3.31Å; N2488-E2490 WeakPolarHBondContact CA-OE2 3.43Å; N2488-E2490 PolarHBondContact O-N 2.97Å; N2488-E2490 VanDerWaalsContact O-N 3.16Å; N2488-E2490 PolarHBondContact OD1-N 3.11Å; N2488-E2490 PolarHBondContact OD1-OE2 3.29Å; N2488-E2490 VanDerWaalsContact OD1-OE2 3.14Å; E2490-L2492 VanDerWaalsContact C-N 3.35Å; E2490-L2492 PolarHBondContact O-N 2.98Å; E2490-L2493 PolarHBondContact O-N 3.08Å; E2490-M2494 VanDerWaalsContact O-CB 3.32Å; E2490-M2494 WeakPolarHBondContact O-CB 3.33Å; E2490-M2494 VanDerWaalsContact O-CG 3.29Å; E2490-M2494 WeakPolarHBondContact O-CG 3.41Å; E2490-M2494 PolarHBondContact O-N 3.11Å; E2490-Y2569 HydrophobicContact CG-CD2 3.83Å; E2490-Y2569 HydrophobicContact CG-CE2 3.59Å; E2490-Y2569 VanDerWaalsContact CG-CE2 3.41Å; E2490-Y2569 WeakPolarHBondContact OE1-CE2 3.48Å; E2490-Y2569 PolarHBondContact OE1-OH 3.24Å; E2490-Q2572 PolarHBondContact OE1-OE1 3.06Å; E2490-R2908 IonicContact OE1-CZ 2.95Å; E2490-R2908 IonicContact OE1-NE 2.73Å; E2490-R2908 PolarHBondContact OE1-NE 3.17Å; E2490-R2908 IonicContact OE1-NH2 3.03Å; E2490-R2908 PolarHBondContact OE1-NH2 2.91Å; E2490-R2908 VanDerWaalsContact OE1-NH2 3.13Å; E2490-R2908 WeakPolarHBondContact OE2-CB 2.98Å; E2490-R2908 IonicContact OE2-NE 2.63Å |
| 2491 | S | 82 | Confident | 79.6 | Confident | 53.8 Ų | 53.8 | 46.5 Ų | 46.5 | 38% | 0.376 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.7 | -48.9 | 178.2 | 58 | 0 | 0 | 0 | 0 | 112.2 | N2488 P2489 L2493 M2494 D2495 | N2488-S2491 PolarHBondContact O-N 3.07Å; N2488-S2491 PolarHBondContact O-OG 3.12Å; N2488-S2491 PolarHBondContact OD1-N 3.2Å; N2488-S2491 VanDerWaalsContact OD1-N 3.12Å; N2488-S2491 PolarHBondContact OD1-OG 3.28Å; P2489-S2491 VanDerWaalsContact C-N 3.31Å; P2489-S2491 PolarHBondContact O-N 3.01Å; S2491-L2493 PolarHBondContact O-N 3.25Å; S2491-M2494 PolarHBondContact O-N 3.07Å; S2491-D2495 PolarHBondContact O-N 3.12Å; S2491-D2495 VanDerWaalsContact O-N 3.09Å |
| 2492 | L | 85.1 | Confident | 77.7 | Confident | 44.6 Ų | 44.6 | 51 Ų | 51 | 23% | 0.234 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.8 | -37.6 | -179.6 | -61.3 | 173.6 | 0 | 0 | 0 | 112.4 | P2489 E2490 C2496 L2565 L2627 | P2489-L2492 PolarHBondContact O-N 3.36Å; E2490-L2492 VanDerWaalsContact C-N 3.35Å; E2490-L2492 PolarHBondContact O-N 2.98Å; L2492-C2496 PolarHBondContact O-N 3.05Å; L2492-C2496 VanDerWaalsContact O-N 3.1Å; L2492-C2496 PolarHBondContact O-SG 3.19Å; L2492-L2565 HydrophobicContact CB-CD1 3.78Å; L2492-L2565 HydrophobicContact CB-CD2 4.38Å; L2492-L2565 HydrophobicContact CD1-CD1 4.3Å; L2492-L2565 HydrophobicContact CD1-CD2 3.82Å; L2492-L2627 HydrophobicContact CD1-CB 4.23Å; L2492-L2627 WeakPolarHBondContact CD1-O 3.41Å |
| 2493 | L | 83.9 | Confident | 75.6 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.7 | -36.4 | 176.4 | -71.9 | 169.2 | 0 | 0 | 0 | 112.1 | P2489 E2490 S2491 C2496 K2497 L2498 L2499 I2562 L2565 N2566 Y2569 | P2489-L2493 HydrophobicContact CB-CD1 4.45Å; P2489-L2493 WeakPolarHBondContact O-CB 3.21Å; P2489-L2493 WeakPolarHBondContact O-CG 3.35Å; P2489-L2493 PolarHBondContact O-N 3.01Å; E2490-L2493 PolarHBondContact O-N 3.08Å; S2491-L2493 PolarHBondContact O-N 3.25Å; L2493-C2496 WeakPolarHBondContact O-CB 3.5Å; L2493-C2496 PolarHBondContact O-N 3.1Å; L2493-K2497 PolarHBondContact O-N 3.17Å; L2493-K2497 VanDerWaalsContact O-N 3.08Å; L2493-L2498 PolarHBondContact O-N 2.99Å; L2493-L2499 HydrophobicContact CB-CD2 4.46Å; L2493-I2562 HydrophobicContact CD2-CG2 4.26Å; L2493-L2565 HydrophobicContact CD1-CB 4.33Å; L2493-L2565 HydrophobicContact CD2-CB 3.79Å; L2493-L2565 HydrophobicContact CD2-CD1 4.4Å; L2493-L2565 HydrophobicContact CG-CB 4Å; L2493-L2565 HydrophobicContact CG-CD1 4.5Å; L2493-N2566 WeakPolarHBondContact CD1-OD1 3.3Å; L2493-N2566 WeakPolarHBondContact CD2-OD1 3.29Å; L2493-Y2569 HydrophobicContact CD1-CD2 4.33Å; L2493-Y2569 HydrophobicContact CD1-CG 4.27Å |
| 2494 | M | 76.1 | Confident | 73.6 | Confident | 94.2 Ų | 94.2 | 53.5 Ų | 53.5 | 46% | 0.464 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 176.4 | -152.4 | 104.1 | 178.8 | 0 | 0 | 111.7 | H2321 I2337 E2490 S2491 C2496 K2497 L2498 L2499 | H2321-M2494 WeakPolarHBondContact NE2-CE 3.29Å; I2337-M2494 HydrophobicContact CD1-CE 4.43Å; E2490-M2494 VanDerWaalsContact O-CB 3.32Å; E2490-M2494 WeakPolarHBondContact O-CB 3.33Å; E2490-M2494 VanDerWaalsContact O-CG 3.29Å; E2490-M2494 WeakPolarHBondContact O-CG 3.41Å; E2490-M2494 PolarHBondContact O-N 3.11Å; S2491-M2494 PolarHBondContact O-N 3.07Å; M2494-C2496 VanDerWaalsContact C-N 3.29Å; M2494-C2496 PolarHBondContact O-N 3.23Å; M2494-K2497 PolarHBondContact O-N 3.31Å; M2494-L2498 HydrophobicContact CE-CD1 4.39Å; M2494-L2498 HydrophobicContact CE-CD2 4.4Å; M2494-L2498 HydrophobicContact CE-CG 4.36Å; M2494-L2498 HydrophobicContact CG-CD1 4.31Å; M2494-L2498 HydrophobicContact CG-CG 4.48Å; M2494-L2498 WeakPolarHBondContact O-CB 3.32Å; M2494-L2498 WeakPolarHBondContact O-CG 3.42Å; M2494-L2498 PolarHBondContact O-N 3.13Å; M2494-L2499 HydrophobicContact CE-CD1 3.94Å; M2494-L2499 HydrophobicContact CG-CD1 3.64Å |
| 2495 | D | 70 | Confident | 71.6 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.8 | -39.7 | 174.1 | -73.3 | -22.5 | 0 | 0 | 0 | 111.5 | S2491 K2497 L2498 L2499 F2554 | S2491-D2495 PolarHBondContact O-N 3.12Å; S2491-D2495 VanDerWaalsContact O-N 3.09Å; D2495-K2497 VanDerWaalsContact C-N 3.27Å; D2495-K2497 PolarHBondContact O-N 3.21Å; D2495-L2498 PolarHBondContact O-N 3.36Å; D2495-L2499 VanDerWaalsContact O-CG 3.29Å; D2495-L2499 WeakPolarHBondContact O-CG 3.27Å; D2495-L2499 PolarHBondContact O-N 3.16Å; D2495-L2499 VanDerWaalsContact O-N 3.09Å; D2495-F2554 HydrophobicContact CB-CE1 4.45Å; D2495-F2554 HydrophobicContact CB-CZ 4.15Å |
| 2496 | C | 66.4 | Low | 69.7 | Low | 14 Ų | 14 | 63.1 Ų | 63.1 | 10% | 0.095 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 174.8 | -67.7 | 0 | 0 | 0 | 0 | 112.9 | L2492 L2493 M2494 L2498 L2499 I2500 | L2492-C2496 PolarHBondContact O-N 3.05Å; L2492-C2496 VanDerWaalsContact O-N 3.1Å; L2492-C2496 PolarHBondContact O-SG 3.19Å; L2493-C2496 WeakPolarHBondContact O-CB 3.5Å; L2493-C2496 PolarHBondContact O-N 3.1Å; M2494-C2496 VanDerWaalsContact C-N 3.29Å; M2494-C2496 PolarHBondContact O-N 3.23Å; C2496-L2498 HydrophobicContact CB-CB 4.21Å; C2496-L2498 HydrophobicContact CB-CD1 3.7Å; C2496-L2498 HydrophobicContact CB-CG 4Å; C2496-L2498 PolarHBondContact O-N 3.17Å; C2496-L2499 PolarHBondContact O-N 3.27Å; C2496-I2500 VanDerWaalsContact O-CG1 3.31Å; C2496-I2500 WeakPolarHBondContact O-CG1 3.31Å; C2496-I2500 PolarHBondContact O-N 3.09Å |
| 2497 | K | 66.6 | Low | 67.7 | Low | 110 Ų | 110 | 64.7 Ų | 64.7 | 48% | 0.478 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -47 | -33.6 | -179.8 | -105.9 | -176.4 | 177.6 | 167.4 | 0 | 112 | I2324 L2493 M2494 D2495 L2499 I2500 D2501 | I2324-K2497 HydrophobicContact CG2-CD 3.86Å; I2324-K2497 PolarHBondContact O-NZ 3.34Å; L2493-K2497 PolarHBondContact O-N 3.17Å; L2493-K2497 VanDerWaalsContact O-N 3.08Å; M2494-K2497 PolarHBondContact O-N 3.31Å; D2495-K2497 VanDerWaalsContact C-N 3.27Å; D2495-K2497 PolarHBondContact O-N 3.21Å; K2497-L2499 VanDerWaalsContact C-N 3.27Å; K2497-L2499 PolarHBondContact O-N 3.17Å; K2497-I2500 PolarHBondContact O-N 3.08Å; K2497-I2500 VanDerWaalsContact O-N 3.13Å; K2497-D2501 WeakPolarHBondContact O-CB 3.39Å; K2497-D2501 VanDerWaalsContact O-CG 3.29Å; K2497-D2501 PolarHBondContact O-N 3.33Å |
| 2498 | L | 61.5 | Low | 65.7 | Low | 67.2 Ų | 67.2 | 70.5 Ų | 70.5 | 35% | 0.352 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.4 | -21.1 | 179.6 | -71.9 | 171.6 | 0 | 0 | 0 | 113.9 | L2493 M2494 D2495 C2496 I2500 K2502 I2562 | L2493-L2498 PolarHBondContact O-N 2.99Å; M2494-L2498 HydrophobicContact CE-CD1 4.39Å; M2494-L2498 HydrophobicContact CE-CD2 4.4Å; M2494-L2498 HydrophobicContact CE-CG 4.36Å; M2494-L2498 HydrophobicContact CG-CD1 4.31Å; M2494-L2498 HydrophobicContact CG-CG 4.48Å; M2494-L2498 WeakPolarHBondContact O-CB 3.32Å; M2494-L2498 WeakPolarHBondContact O-CG 3.42Å; M2494-L2498 PolarHBondContact O-N 3.13Å; D2495-L2498 PolarHBondContact O-N 3.36Å; C2496-L2498 HydrophobicContact CB-CB 4.21Å; C2496-L2498 HydrophobicContact CB-CD1 3.7Å; C2496-L2498 HydrophobicContact CB-CG 4Å; C2496-L2498 PolarHBondContact O-N 3.17Å; L2498-I2500 PolarHBondContact O-N 2.69Å; L2498-K2502 WeakPolarHBondContact O-CB 3.41Å; L2498-K2502 VanDerWaalsContact O-CD 3.27Å; L2498-K2502 WeakPolarHBondContact O-CD 3.41Å; L2498-K2502 VanDerWaalsContact O-CE 3.28Å; L2498-K2502 WeakPolarHBondContact O-CE 3.46Å; L2498-K2502 WeakPolarHBondContact O-CG 3.26Å; L2498-K2502 PolarHBondContact O-N 3.23Å; L2498-I2562 HydrophobicContact CD1-CB 4.3Å; L2498-I2562 HydrophobicContact CD1-CD1 3.25Å; L2498-I2562 HydrophobicContact CD1-CG1 3.58Å; L2498-I2562 HydrophobicContact CD1-CG2 3.75Å |
| 2499 | L | 55.6 | Low | 63.6 | Low | 54.6 Ų | 54.6 | 72.5 Ų | 72.5 | 29% | 0.286 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.6 | -32.2 | 170.8 | -71.4 | 170.1 | 0 | 0 | 0 | 111.4 | L2493 M2494 D2495 C2496 K2497 D2501 K2502 E2503 F2554 | L2493-L2499 HydrophobicContact CB-CD2 4.46Å; M2494-L2499 HydrophobicContact CE-CD1 3.94Å; M2494-L2499 HydrophobicContact CG-CD1 3.64Å; D2495-L2499 VanDerWaalsContact O-CG 3.29Å; D2495-L2499 WeakPolarHBondContact O-CG 3.27Å; D2495-L2499 PolarHBondContact O-N 3.16Å; D2495-L2499 VanDerWaalsContact O-N 3.09Å; C2496-L2499 PolarHBondContact O-N 3.27Å; K2497-L2499 VanDerWaalsContact C-N 3.27Å; K2497-L2499 PolarHBondContact O-N 3.17Å; L2499-D2501 VanDerWaalsContact C-N 3.34Å; L2499-D2501 PolarHBondContact O-N 3.28Å; L2499-K2502 PolarHBondContact O-N 3.16Å; L2499-E2503 WeakPolarHBondContact O-CB 3.48Å; L2499-E2503 VanDerWaalsContact O-CG 3.24Å; L2499-E2503 WeakPolarHBondContact O-CG 3.19Å; L2499-E2503 PolarHBondContact O-N 3.11Å; L2499-F2554 HydrophobicContact CD1-CD1 4.43Å |
| 2500 | I | 56.4 | Low | 61.6 | Low | 81.6 Ų | 81.6 | 77.8 Ų | 77.8 | 42% | 0.418 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.9 | -32.3 | 174 | -63.9 | 167 | 0 | 0 | 0 | 110.2 | C2496 K2497 L2498 K2502 E2503 A2504 A2525 I2528 | C2496-I2500 VanDerWaalsContact O-CG1 3.31Å; C2496-I2500 WeakPolarHBondContact O-CG1 3.31Å; C2496-I2500 PolarHBondContact O-N 3.09Å; K2497-I2500 PolarHBondContact O-N 3.08Å; K2497-I2500 VanDerWaalsContact O-N 3.13Å; L2498-I2500 PolarHBondContact O-N 2.69Å; I2500-K2502 VanDerWaalsContact C-N 3.31Å; I2500-K2502 PolarHBondContact O-N 3.14Å; I2500-E2503 PolarHBondContact O-N 3.07Å; I2500-E2503 VanDerWaalsContact O-N 3.15Å; I2500-A2504 WeakPolarHBondContact O-CB 3.3Å; I2500-A2504 PolarHBondContact O-N 3.2Å; I2500-A2525 HydrophobicContact CG2-CB 4.47Å; I2500-I2528 HydrophobicContact CD1-CD1 4.02Å |
| 2501 | D | 56.3 | Low | 59.5 | Low | 66.2 Ų | 66.2 | 79.7 Ų | 79.7 | 35% | 0.354 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -74.2 | -25.6 | 177.2 | -72.9 | -22 | 0 | 0 | 0 | 111.7 | K2497 L2499 E2503 A2504 S2505 R2593 | K2497-D2501 WeakPolarHBondContact O-CB 3.39Å; K2497-D2501 VanDerWaalsContact O-CG 3.29Å; K2497-D2501 PolarHBondContact O-N 3.33Å; L2499-D2501 VanDerWaalsContact C-N 3.34Å; L2499-D2501 PolarHBondContact O-N 3.28Å; D2501-E2503 VanDerWaalsContact C-N 3.31Å; D2501-E2503 PolarHBondContact O-N 2.91Å; D2501-E2503 VanDerWaalsContact O-N 3.16Å; D2501-A2504 HydrophobicContact CB-CB 3.99Å; D2501-A2504 PolarHBondContact O-N 2.84Å; D2501-S2505 VanDerWaalsContact O-CB 3.26Å; D2501-S2505 WeakPolarHBondContact O-CB 3.28Å; D2501-S2505 PolarHBondContact O-N 3.09Å; D2501-S2505 VanDerWaalsContact O-N 3.1Å; D2501-S2505 PolarHBondContact O-OG 3.15Å; D2501-R2593 IonicContact OD1-NH2 3.56Å; D2501-R2593 PolarHBondContact OD1-NH2 2.91Å |
| 2502 | K | 54.9 | Low | 57.3 | Low | 139.2 Ų | 139.2 | 82.4 Ų | 82.4 | 61% | 0.605 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.6 | -30.3 | 172.2 | -77.1 | 174 | -173.3 | 170.8 | 0 | 112.7 | L2498 L2499 I2500 K2506 | L2498-K2502 WeakPolarHBondContact O-CB 3.41Å; L2498-K2502 VanDerWaalsContact O-CD 3.27Å; L2498-K2502 WeakPolarHBondContact O-CD 3.41Å; L2498-K2502 VanDerWaalsContact O-CE 3.28Å; L2498-K2502 WeakPolarHBondContact O-CE 3.46Å; L2498-K2502 WeakPolarHBondContact O-CG 3.26Å; L2498-K2502 PolarHBondContact O-N 3.23Å; L2499-K2502 PolarHBondContact O-N 3.16Å; I2500-K2502 VanDerWaalsContact C-N 3.31Å; I2500-K2502 PolarHBondContact O-N 3.14Å; K2502-K2506 WeakPolarHBondContact O-CG 3.36Å; K2502-K2506 PolarHBondContact O-N 2.99Å; K2502-K2506 VanDerWaalsContact O-N 3.15Å |
| 2503 | E | 48.2 | Very low | 54.8 | Low | 68 Ų | 68 | 88.1 Ų | 88.1 | 32% | 0.318 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -80.3 | -41.1 | 176.7 | -69.2 | -168.4 | 149 | 0 | 0 | 112.1 | L2499 I2500 D2501 S2505 K2506 T2507 R2532 | L2499-E2503 WeakPolarHBondContact O-CB 3.48Å; L2499-E2503 VanDerWaalsContact O-CG 3.24Å; L2499-E2503 WeakPolarHBondContact O-CG 3.19Å; L2499-E2503 PolarHBondContact O-N 3.11Å; I2500-E2503 PolarHBondContact O-N 3.07Å; I2500-E2503 VanDerWaalsContact O-N 3.15Å; D2501-E2503 VanDerWaalsContact C-N 3.31Å; D2501-E2503 PolarHBondContact O-N 2.91Å; D2501-E2503 VanDerWaalsContact O-N 3.16Å; E2503-S2505 VanDerWaalsContact C-N 3.31Å; E2503-S2505 PolarHBondContact O-N 3.12Å; E2503-K2506 CarbonylContact O-C 2.89Å; E2503-K2506 WeakPolarHBondContact O-CA 3.39Å; E2503-K2506 WeakPolarHBondContact O-CB 3.34Å; E2503-K2506 PolarHBondContact O-N 3.28Å; E2503-K2506 VanDerWaalsContact O-N 3.1Å; E2503-T2507 PolarHBondContact O-N 3.18Å; E2503-T2507 PolarHBondContact O-OG1 3.12Å; E2503-T2507 VanDerWaalsContact O-OG1 3.1Å; E2503-R2532 VanDerWaalsContact CD-NH1 3.28Å; E2503-R2532 IonicContact OE1-CZ 3.3Å; E2503-R2532 VanDerWaalsContact OE1-CZ 3.25Å; E2503-R2532 IonicContact OE1-NH1 3.43Å; E2503-R2532 PolarHBondContact OE1-NH1 3.29Å; E2503-R2532 IonicContact OE1-NH2 3.42Å; E2503-R2532 PolarHBondContact OE1-NH2 3.16Å; E2503-R2532 IonicContact OE2-CZ 3.28Å; E2503-R2532 VanDerWaalsContact OE2-CZ 3.26Å; E2503-R2532 IonicContact OE2-NH1 3.4Å; E2503-R2532 PolarHBondContact OE2-NH1 3.15Å; E2503-R2532 IonicContact OE2-NH2 3Å; E2503-R2532 PolarHBondContact OE2-NH2 3.21Å; E2503-R2532 VanDerWaalsContact OE2-NH2 3.1Å |
| 2504 | A | 51.4 | Low | 52.5 | Low | 32 Ų | 32 | 95.4 Ų | 95.4 | 26% | 0.264 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.7 | -41.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | I2500 D2501 K2506 T2507 I2508 I2528 | I2500-A2504 WeakPolarHBondContact O-CB 3.3Å; I2500-A2504 PolarHBondContact O-N 3.2Å; D2501-A2504 HydrophobicContact CB-CB 3.99Å; D2501-A2504 PolarHBondContact O-N 2.84Å; A2504-K2506 VanDerWaalsContact C-N 3.29Å; A2504-K2506 PolarHBondContact O-N 3.09Å; A2504-T2507 PolarHBondContact O-N 3.11Å; A2504-T2507 VanDerWaalsContact O-N 3.1Å; A2504-I2508 VanDerWaalsContact O-CG1 3.29Å; A2504-I2508 WeakPolarHBondContact O-CG1 3.36Å; A2504-I2508 PolarHBondContact O-N 3.32Å; A2504-I2528 HydrophobicContact CB-CD1 4.18Å |
| 2505 | S | 53.1 | Low | 50.5 | Low | 65.8 Ų | 65.8 | 96.4 Ų | 96.4 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -26.5 | 174.8 | -61.6 | 0 | 0 | 0 | 0 | 113.9 | D2501 E2503 N2509 | D2501-S2505 VanDerWaalsContact O-CB 3.26Å; D2501-S2505 WeakPolarHBondContact O-CB 3.28Å; D2501-S2505 PolarHBondContact O-N 3.09Å; D2501-S2505 VanDerWaalsContact O-N 3.1Å; D2501-S2505 PolarHBondContact O-OG 3.15Å; E2503-S2505 VanDerWaalsContact C-N 3.31Å; E2503-S2505 PolarHBondContact O-N 3.12Å; S2505-N2509 PolarHBondContact O-N 2.85Å; S2505-N2509 PolarHBondContact O-ND2 2.98Å; S2505-N2509 VanDerWaalsContact O-ND2 3.13Å |
| 2506 | K | 51.8 | Low | 48.7 | Very low | 149.6 Ų | 149.6 | 98.9 Ų | 98.9 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -77.5 | -41.8 | 172.2 | -72.8 | 175.3 | 179.7 | 178 | 0 | 111.5 | K2502 E2503 A2504 I2508 N2509 T2510 | K2502-K2506 WeakPolarHBondContact O-CG 3.36Å; K2502-K2506 PolarHBondContact O-N 2.99Å; K2502-K2506 VanDerWaalsContact O-N 3.15Å; E2503-K2506 CarbonylContact O-C 2.89Å; E2503-K2506 WeakPolarHBondContact O-CA 3.39Å; E2503-K2506 WeakPolarHBondContact O-CB 3.34Å; E2503-K2506 PolarHBondContact O-N 3.28Å; E2503-K2506 VanDerWaalsContact O-N 3.1Å; A2504-K2506 VanDerWaalsContact C-N 3.29Å; A2504-K2506 PolarHBondContact O-N 3.09Å; K2506-I2508 VanDerWaalsContact C-N 3.35Å; K2506-I2508 PolarHBondContact O-N 2.98Å; K2506-N2509 WeakPolarHBondContact O-CB 3.33Å; K2506-N2509 PolarHBondContact O-N 3.23Å; K2506-T2510 PolarHBondContact O-N 2.95Å; K2506-T2510 PolarHBondContact O-OG1 3.04Å |
| 2507 | T | 47.8 | Very low | 47.2 | Very low | 71 Ų | 71 | 103.1 Ų | 103.1 | 44% | 0.436 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -36.7 | -177.7 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | E2503 A2504 N2509 T2510 S2511 | E2503-T2507 PolarHBondContact O-N 3.18Å; E2503-T2507 PolarHBondContact O-OG1 3.12Å; E2503-T2507 VanDerWaalsContact O-OG1 3.1Å; A2504-T2507 PolarHBondContact O-N 3.11Å; A2504-T2507 VanDerWaalsContact O-N 3.1Å; T2507-N2509 VanDerWaalsContact C-N 3.3Å; T2507-N2509 PolarHBondContact O-N 3.22Å; T2507-T2510 PolarHBondContact O-N 3.27Å; T2507-T2510 VanDerWaalsContact O-N 3.12Å; T2507-T2510 PolarHBondContact O-OG1 2.89Å; T2507-S2511 PolarHBondContact O-N 3.14Å; T2507-S2511 PolarHBondContact O-OG 3.32Å |
| 2508 | I | 49.6 | Very low | 45.6 | Very low | 125.2 Ų | 125.2 | 104.7 Ų | 104.7 | 64% | 0.642 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.5 | -32.9 | 176.2 | -68.6 | 167.2 | 0 | 0 | 0 | 111.8 | A2504 K2506 T2510 S2511 | A2504-I2508 VanDerWaalsContact O-CG1 3.29Å; A2504-I2508 WeakPolarHBondContact O-CG1 3.36Å; A2504-I2508 PolarHBondContact O-N 3.32Å; K2506-I2508 VanDerWaalsContact C-N 3.35Å; K2506-I2508 PolarHBondContact O-N 2.98Å; I2508-T2510 VanDerWaalsContact C-N 3.27Å; I2508-T2510 PolarHBondContact O-N 3.23Å; I2508-S2511 PolarHBondContact O-N 3.41Å |
| 2509 | N | 45.5 | Very low | 44.5 | Very low | 127.4 Ų | 127.4 | 106.5 Ų | 106.5 | 68% | 0.681 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -7.4 | -178.7 | -71.7 | -30 | 0 | 0 | 0 | 114.6 | S2505 K2506 T2507 | S2505-N2509 PolarHBondContact O-N 2.85Å; S2505-N2509 PolarHBondContact O-ND2 2.98Å; S2505-N2509 VanDerWaalsContact O-ND2 3.13Å; K2506-N2509 WeakPolarHBondContact O-CB 3.33Å; K2506-N2509 PolarHBondContact O-N 3.23Å; T2507-N2509 VanDerWaalsContact C-N 3.3Å; T2507-N2509 PolarHBondContact O-N 3.22Å |
| 2510 | T | 45.7 | Very low | 43.6 | Very low | 111.8 Ų | 111.8 | 106.4 Ų | 106.4 | 69% | 0.686 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 2.3 | -177.3 | 18.1 | 0 | 0 | 0 | 0 | 114.2 | K2506 T2507 I2508 T2512 | K2506-T2510 PolarHBondContact O-N 2.95Å; K2506-T2510 PolarHBondContact O-OG1 3.04Å; T2507-T2510 PolarHBondContact O-N 3.27Å; T2507-T2510 VanDerWaalsContact O-N 3.12Å; T2507-T2510 PolarHBondContact O-OG1 2.89Å; I2508-T2510 VanDerWaalsContact C-N 3.27Å; I2508-T2510 PolarHBondContact O-N 3.23Å; T2510-T2512 PolarHBondContact O-N 3.3Å |
| 2511 | S | 41.1 | Very low | 42.9 | Very low | 91.6 Ų | 91.6 | 105.8 Ų | 105.8 | 64% | 0.641 | 60% | 0.603 | S | S | * | * | trans | -108.8 | 60.7 | -176.7 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | N2401 T2507 I2508 M2513 | N2401-S2511 PolarHBondContact ND2-O 2.9Å; T2507-S2511 PolarHBondContact O-N 3.14Å; T2507-S2511 PolarHBondContact O-OG 3.32Å; I2508-S2511 PolarHBondContact O-N 3.41Å; S2511-M2513 PolarHBondContact O-N 3.01Å | ||
| 2512 | T | 35.3 | Very low | 42.2 | Very low | 111.2 Ų | 111.2 | 107.3 Ų | 107.3 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | trans | -89.4 | 119.8 | 172.5 | -30.6 | 0 | 0 | 0 | 0 | 110.9 | N2401 T2510 | N2401-T2512 HydrophobicContact CB-CG2 3.95Å; N2401-T2512 WeakPolarHBondContact CB-OG1 3.38Å; N2401-T2512 WeakPolarHBondContact ND2-CA 3.25Å; T2510-T2512 PolarHBondContact O-N 3.3Å | ||
| 2513 | M | 33.7 | Very low | 41.7 | Very low | 162.6 Ų | 162.6 | 104.4 Ų | 104.4 | 80% | 0.801 | 60% | 0.603 | S | S | * | * | trans | 83.5 | 98.6 | 173 | -62 | -91.6 | 102.8 | 0 | 0 | 115.3 | S2511 | S2511-M2513 PolarHBondContact O-N 3.01Š| ||
| 2514 | L | 36.1 | Very low | 41.5 | Very low | 175.6 Ų | 175.6 | 105.3 Ų | 105.3 | 92% | 0.919 | 61% | 0.609 | S | S | * | * | trans | -168.5 | 147 | 136.4 | -102.1 | 158.4 | 0 | 0 | 0 | 110.4 | ||||
| 2515 | T | 34.4 | Very low | 41.2 | Very low | 115 Ų | 115 | 105.9 Ų | 105.9 | 71% | 0.706 | 61% | 0.614 | S | S | * | * | trans | -99.2 | 135.1 | -164.4 | 47.5 | 0 | 0 | 0 | 0 | 114.1 | S2517 | T2515-S2517 PolarHBondContact O-N 3.48Š| ||
| 2516 | T | 30.6 | Very low | 40.7 | Very low | 137.2 Ų | 137.2 | 106.4 Ų | 106.4 | 84% | 0.842 | 61% | 0.612 | S | S | * | * | trans | 36.7 | 94.8 | 148.2 | 55 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2517 | S | 36.5 | Very low | 40.2 | Very low | 101.4 Ų | 101.4 | 103.8 Ų | 103.8 | 71% | 0.709 | 61% | 0.605 | S | S | * | * | trans | -154.1 | 142.2 | 143.8 | 39.4 | 0 | 0 | 0 | 0 | 109.6 | T2515 I2519 | T2515-S2517 PolarHBondContact O-N 3.48Å; S2517-I2519 PolarHBondContact O-N 2.96Å; S2517-I2519 VanDerWaalsContact O-N 3.11Å | ||
| 2518 | T | 31.9 | Very low | 40.3 | Very low | 145.2 Ų | 145.2 | 102.5 Ų | 102.5 | 89% | 0.891 | 59% | 0.594 | S | S | * | * | trans | -78 | 99.9 | -179.7 | 44.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2519 | I | 37.9 | Very low | 40.1 | Very low | 103.4 Ų | 103.4 | 98.8 Ų | 98.8 | 53% | 0.53 | 58% | 0.579 | S | S | . | * | trans | -102.6 | 133.7 | 167.1 | -59.3 | 176.6 | 0 | 0 | 0 | 106.8 | S2517 S2521 D2523 I2524 | S2517-I2519 PolarHBondContact O-N 2.96Å; S2517-I2519 VanDerWaalsContact O-N 3.11Å; I2519-S2521 PolarHBondContact O-N 2.98Å; I2519-D2523 HydrophobicContact CG2-CB 3.47Å; I2519-D2523 VanDerWaalsContact CG2-CB 3.47Å; I2519-I2524 HydrophobicContact CB-CG1 4.42Å; I2519-I2524 HydrophobicContact CG2-CD1 4.46Å; I2519-I2524 HydrophobicContact CG2-CG1 3.78Å | ||
| 2520 | S | 37.5 | Very low | 40.2 | Very low | 52.8 Ų | 52.8 | 97.8 Ų | 97.8 | 37% | 0.369 | 57% | 0.57 | S | S | . | * | trans | -72.8 | 153.8 | -179.6 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | D2522 D2523 I2524 | S2520-D2522 PolarHBondContact O-N 3.38Å; S2520-D2522 VanDerWaalsContact O-N 3.15Å; S2520-D2523 VanDerWaalsContact CB-OD2 3.27Å; S2520-D2523 WeakPolarHBondContact CB-OD2 3.4Å; S2520-D2523 PolarHBondContact N-OD2 3.13Å; S2520-D2523 WeakPolarHBondContact O-CB 3.14Å; S2520-D2523 PolarHBondContact O-N 3.1Å; S2520-D2523 VanDerWaalsContact O-N 3.12Å; S2520-D2523 PolarHBondContact OG-N 3.32Å; S2520-D2523 PolarHBondContact OG-OD2 3.28Å; S2520-I2524 WeakPolarHBondContact O-CG1 3.39Å; S2520-I2524 PolarHBondContact O-N 2.97Å; S2520-I2524 VanDerWaalsContact O-N 3.14Å | ||
| 2521 | S | 40.9 | Very low | 40.3 | Very low | 69 Ų | 69 | 98.7 Ų | 98.7 | 48% | 0.483 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -55.6 | -34.2 | 174 | 46 | 0 | 0 | 0 | 0 | 112.5 | D2335 I2519 I2524 A2525 | D2335-S2521 WeakPolarHBondContact OD1-CB 3.25Å; I2519-S2521 PolarHBondContact O-N 2.98Å; S2521-I2524 PolarHBondContact O-N 3.14Å; S2521-A2525 PolarHBondContact O-N 3.35Å; S2521-A2525 VanDerWaalsContact O-N 3.13Å |
| 2522 | D | 43.2 | Very low | 40.6 | Very low | 97.6 Ų | 97.6 | 99.4 Ų | 99.4 | 52% | 0.522 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72.9 | -40.1 | -175.4 | -58.4 | -9.2 | 0 | 0 | 0 | 110.2 | S2520 I2524 A2525 D2526 K2596 | S2520-D2522 PolarHBondContact O-N 3.38Å; S2520-D2522 VanDerWaalsContact O-N 3.15Å; D2522-I2524 VanDerWaalsContact C-N 3.33Å; D2522-I2524 PolarHBondContact O-N 3.04Å; D2522-I2524 VanDerWaalsContact O-N 3.16Å; D2522-A2525 PolarHBondContact O-N 3.16Å; D2522-A2525 VanDerWaalsContact O-N 3.16Å; D2522-D2526 WeakPolarHBondContact O-CB 3.26Å; D2522-D2526 PolarHBondContact O-N 2.87Å; D2522-D2526 VanDerWaalsContact O-OD1 3.08Å; D2522-K2596 IonicContact OD1-NZ 3.48Å; D2522-K2596 PolarHBondContact OD1-NZ 3.11Å |
| 2523 | D | 44.1 | Very low | 41.2 | Very low | 78.8 Ų | 78.8 | 99.3 Ų | 99.3 | 42% | 0.421 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61 | -35.9 | 173.8 | -63.1 | -54.7 | 0 | 0 | 0 | 112.3 | I2519 S2520 D2526 N2527 | I2519-D2523 HydrophobicContact CG2-CB 3.47Å; I2519-D2523 VanDerWaalsContact CG2-CB 3.47Å; S2520-D2523 VanDerWaalsContact CB-OD2 3.27Å; S2520-D2523 WeakPolarHBondContact CB-OD2 3.4Å; S2520-D2523 PolarHBondContact N-OD2 3.13Å; S2520-D2523 WeakPolarHBondContact O-CB 3.14Å; S2520-D2523 PolarHBondContact O-N 3.1Å; S2520-D2523 VanDerWaalsContact O-N 3.12Å; S2520-D2523 PolarHBondContact OG-N 3.32Å; S2520-D2523 PolarHBondContact OG-OD2 3.28Å; D2523-D2526 PolarHBondContact O-N 2.86Å; D2523-N2527 VanDerWaalsContact O-CB 3.29Å; D2523-N2527 WeakPolarHBondContact O-CB 3.35Å; D2523-N2527 PolarHBondContact O-N 2.88Å; D2523-N2527 VanDerWaalsContact O-N 3.16Å; D2523-N2527 PolarHBondContact O-ND2 3.12Å |
| 2524 | I | 44.1 | Very low | 41.8 | Very low | 87.2 Ų | 87.2 | 96.6 Ų | 96.6 | 45% | 0.447 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.6 | -43.8 | 179.4 | -62.9 | 172.7 | 0 | 0 | 0 | 110.4 | I2519 S2520 S2521 D2522 D2526 N2527 I2528 | I2519-I2524 HydrophobicContact CB-CG1 4.42Å; I2519-I2524 HydrophobicContact CG2-CD1 4.46Å; I2519-I2524 HydrophobicContact CG2-CG1 3.78Å; S2520-I2524 WeakPolarHBondContact O-CG1 3.39Å; S2520-I2524 PolarHBondContact O-N 2.97Å; S2520-I2524 VanDerWaalsContact O-N 3.14Å; S2521-I2524 PolarHBondContact O-N 3.14Å; D2522-I2524 VanDerWaalsContact C-N 3.33Å; D2522-I2524 PolarHBondContact O-N 3.04Å; D2522-I2524 VanDerWaalsContact O-N 3.16Å; I2524-D2526 VanDerWaalsContact C-N 3.31Å; I2524-D2526 PolarHBondContact O-N 3.1Å; I2524-N2527 PolarHBondContact O-N 3.25Å; I2524-I2528 HydrophobicContact CG2-CD1 3.92Å; I2524-I2528 HydrophobicContact CG2-CG1 4.46Å; I2524-I2528 WeakPolarHBondContact O-CD1 3.34Å; I2524-I2528 VanDerWaalsContact O-CG1 3.32Å; I2524-I2528 WeakPolarHBondContact O-CG1 3.37Å; I2524-I2528 PolarHBondContact O-N 3.28Å; I2524-I2528 VanDerWaalsContact O-N 3.09Å |
| 2525 | A | 43.5 | Very low | 42.5 | Very low | 45.4 Ų | 45.4 | 95.1 Ų | 95.1 | 38% | 0.375 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I2500 S2521 D2522 C2529 | I2500-A2525 HydrophobicContact CG2-CB 4.47Å; S2521-A2525 PolarHBondContact O-N 3.35Å; S2521-A2525 VanDerWaalsContact O-N 3.13Å; D2522-A2525 PolarHBondContact O-N 3.16Å; D2522-A2525 VanDerWaalsContact O-N 3.16Å; A2525-C2529 VanDerWaalsContact O-CB 3.31Å; A2525-C2529 WeakPolarHBondContact O-CB 3.34Å; A2525-C2529 PolarHBondContact O-N 3.06Å; A2525-C2529 VanDerWaalsContact O-N 3.13Å |
| 2526 | D | 43.5 | Very low | 43.1 | Very low | 76.4 Ų | 76.4 | 96.7 Ų | 96.7 | 41% | 0.409 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 176.5 | -87.9 | -5 | 0 | 0 | 0 | 112.2 | D2522 D2523 I2524 I2528 C2529 Q2530 K2559 | D2522-D2526 WeakPolarHBondContact O-CB 3.26Å; D2522-D2526 PolarHBondContact O-N 2.87Å; D2522-D2526 VanDerWaalsContact O-OD1 3.08Å; D2523-D2526 PolarHBondContact O-N 2.86Å; I2524-D2526 VanDerWaalsContact C-N 3.31Å; I2524-D2526 PolarHBondContact O-N 3.1Å; D2526-I2528 VanDerWaalsContact C-N 3.32Å; D2526-I2528 PolarHBondContact O-N 2.89Å; D2526-C2529 PolarHBondContact O-N 3.34Å; D2526-C2529 VanDerWaalsContact O-N 3.11Å; D2526-Q2530 WeakPolarHBondContact O-CB 3.26Å; D2526-Q2530 PolarHBondContact O-N 3.07Å; D2526-Q2530 PolarHBondContact O-OE1 3Å; D2526-Q2530 VanDerWaalsContact O-OE1 3.11Å; D2526-K2559 PolarHBondContact O-NZ 3.2Å; D2526-K2559 VanDerWaalsContact OD1-CE 3.3Å; D2526-K2559 WeakPolarHBondContact OD1-CE 3.27Å; D2526-K2559 IonicContact OD1-NZ 3.16Å; D2526-K2559 PolarHBondContact OD1-NZ 3.18Å; D2526-K2559 IonicContact OD2-NZ 3.22Å; D2526-K2559 PolarHBondContact OD2-NZ 3.4Å |
| 2527 | N | 42.2 | Very low | 44 | Very low | 94.2 Ų | 94.2 | 94.1 Ų | 94.1 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 177.2 | -83.2 | -68.9 | 0 | 0 | 0 | 113.1 | D2523 I2524 C2529 Q2530 Q2531 | D2523-N2527 VanDerWaalsContact O-CB 3.29Å; D2523-N2527 WeakPolarHBondContact O-CB 3.35Å; D2523-N2527 PolarHBondContact O-N 2.88Å; D2523-N2527 VanDerWaalsContact O-N 3.16Å; D2523-N2527 PolarHBondContact O-ND2 3.12Å; I2524-N2527 PolarHBondContact O-N 3.25Å; N2527-C2529 VanDerWaalsContact C-N 3.3Å; N2527-C2529 PolarHBondContact O-N 2.95Å; N2527-Q2530 PolarHBondContact O-N 3.08Å; N2527-Q2531 WeakPolarHBondContact O-CB 3.31Å; N2527-Q2531 VanDerWaalsContact O-CG 3.28Å; N2527-Q2531 WeakPolarHBondContact O-CG 3.33Å; N2527-Q2531 PolarHBondContact O-N 3.24Å; N2527-Q2531 VanDerWaalsContact O-N 3.13Å |
| 2528 | I | 48.8 | Very low | 44.4 | Very low | 43.4 Ų | 43.4 | 97.2 Ų | 97.2 | 22% | 0.223 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 177.6 | -67.6 | 169 | 0 | 0 | 0 | 111 | I2500 A2504 I2524 D2526 | I2500-I2528 HydrophobicContact CD1-CD1 4.02Å; A2504-I2528 HydrophobicContact CB-CD1 4.18Å; I2524-I2528 HydrophobicContact CG2-CD1 3.92Å; I2524-I2528 HydrophobicContact CG2-CG1 4.46Å; I2524-I2528 WeakPolarHBondContact O-CD1 3.34Å; I2524-I2528 VanDerWaalsContact O-CG1 3.32Å; I2524-I2528 WeakPolarHBondContact O-CG1 3.37Å; I2524-I2528 PolarHBondContact O-N 3.28Å; I2524-I2528 VanDerWaalsContact O-N 3.09Å; D2526-I2528 VanDerWaalsContact C-N 3.32Å; D2526-I2528 PolarHBondContact O-N 2.89Å |
| 2529 | C | 44.7 | Very low | 44.9 | Very low | 47.6 Ų | 47.6 | 95.7 Ų | 95.7 | 32% | 0.322 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.3 | -37.7 | 179.1 | -163.4 | 0 | 0 | 0 | 0 | 112.2 | A2525 D2526 N2527 R2532 L2533 K2559 | A2525-C2529 VanDerWaalsContact O-CB 3.31Å; A2525-C2529 WeakPolarHBondContact O-CB 3.34Å; A2525-C2529 PolarHBondContact O-N 3.06Å; A2525-C2529 VanDerWaalsContact O-N 3.13Å; D2526-C2529 PolarHBondContact O-N 3.34Å; D2526-C2529 VanDerWaalsContact O-N 3.11Å; N2527-C2529 VanDerWaalsContact C-N 3.3Å; N2527-C2529 PolarHBondContact O-N 2.95Å; C2529-R2532 PolarHBondContact O-N 3.18Å; C2529-L2533 WeakPolarHBondContact O-CG 3.18Å; C2529-L2533 PolarHBondContact O-N 3.13Å; C2529-K2559 VanDerWaalsContact CB-CE 3.42Å; C2529-K2559 VanDerWaalsContact SG-CE 3.52Å; C2529-K2559 WeakPolarHBondContact SG-CE 3.4Å |
| 2530 | Q | 48.9 | Very low | 44.9 | Very low | 105.4 Ų | 105.4 | 98.6 Ų | 98.6 | 49% | 0.493 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 174.9 | -110.4 | 94.3 | -13.1 | 0 | 0 | 112.1 | D2526 N2527 R2532 L2533 D2534 | D2526-Q2530 WeakPolarHBondContact O-CB 3.26Å; D2526-Q2530 PolarHBondContact O-N 3.07Å; D2526-Q2530 PolarHBondContact O-OE1 3Å; D2526-Q2530 VanDerWaalsContact O-OE1 3.11Å; N2527-Q2530 PolarHBondContact O-N 3.08Å; Q2530-R2532 VanDerWaalsContact C-N 3.28Å; Q2530-R2532 PolarHBondContact O-N 2.98Å; Q2530-R2532 VanDerWaalsContact O-N 3.11Å; Q2530-L2533 PolarHBondContact O-N 3.35Å; Q2530-L2533 VanDerWaalsContact O-N 3.14Å; Q2530-D2534 PolarHBondContact O-N 3.26Å |
| 2531 | Q | 47.9 | Very low | 45.2 | Very low | 132.2 Ų | 132.2 | 101.7 Ų | 101.7 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.9 | -33 | -178 | -78.1 | -178.9 | -8.5 | 0 | 0 | 113.6 | N2527 D2534 E2535 | N2527-Q2531 WeakPolarHBondContact O-CB 3.31Å; N2527-Q2531 VanDerWaalsContact O-CG 3.28Å; N2527-Q2531 WeakPolarHBondContact O-CG 3.33Å; N2527-Q2531 PolarHBondContact O-N 3.24Å; N2527-Q2531 VanDerWaalsContact O-N 3.13Å; Q2531-D2534 PolarHBondContact O-N 3.43Å; Q2531-E2535 WeakPolarHBondContact O-CG 3.47Å; Q2531-E2535 PolarHBondContact O-N 2.86Å |
| 2532 | R | 46.6 | Very low | 45.1 | Very low | 106.4 Ų | 106.4 | 104.5 Ų | 104.5 | 40% | 0.402 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76 | -32 | 178 | -64.2 | -171 | -165.8 | 172.3 | 12.1 | 113.5 | E2503 C2529 Q2530 D2534 E2535 E2536 | E2503-R2532 VanDerWaalsContact CD-NH1 3.28Å; E2503-R2532 IonicContact OE1-CZ 3.3Å; E2503-R2532 VanDerWaalsContact OE1-CZ 3.25Å; E2503-R2532 IonicContact OE1-NH1 3.43Å; E2503-R2532 PolarHBondContact OE1-NH1 3.29Å; E2503-R2532 IonicContact OE1-NH2 3.42Å; E2503-R2532 PolarHBondContact OE1-NH2 3.16Å; E2503-R2532 IonicContact OE2-CZ 3.28Å; E2503-R2532 VanDerWaalsContact OE2-CZ 3.26Å; E2503-R2532 IonicContact OE2-NH1 3.4Å; E2503-R2532 PolarHBondContact OE2-NH1 3.15Å; E2503-R2532 IonicContact OE2-NH2 3Å; E2503-R2532 PolarHBondContact OE2-NH2 3.21Å; E2503-R2532 VanDerWaalsContact OE2-NH2 3.1Å; C2529-R2532 PolarHBondContact O-N 3.18Å; Q2530-R2532 VanDerWaalsContact C-N 3.28Å; Q2530-R2532 PolarHBondContact O-N 2.98Å; Q2530-R2532 VanDerWaalsContact O-N 3.11Å; R2532-D2534 VanDerWaalsContact C-N 3.3Å; R2532-D2534 PolarHBondContact O-N 3.23Å; R2532-E2535 PolarHBondContact O-N 3.01Å; R2532-E2536 PolarHBondContact O-N 3.16Å; R2532-E2536 VanDerWaalsContact O-N 3.09Å |
| 2533 | L | 48.1 | Very low | 45 | Very low | 108.8 Ų | 108.8 | 107.4 Ų | 107.4 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.6 | -31.7 | 178.3 | -68.5 | 168.8 | 0 | 0 | 0 | 112 | C2529 Q2530 E2535 S2537 | C2529-L2533 WeakPolarHBondContact O-CG 3.18Å; C2529-L2533 PolarHBondContact O-N 3.13Å; Q2530-L2533 PolarHBondContact O-N 3.35Å; Q2530-L2533 VanDerWaalsContact O-N 3.14Å; L2533-E2535 VanDerWaalsContact C-N 3.35Å; L2533-S2537 WeakPolarHBondContact O-CB 3.28Å; L2533-S2537 PolarHBondContact O-N 3.37Å; L2533-S2537 PolarHBondContact O-OG 3.02Å |
| 2534 | D | 46.4 | Very low | 44.7 | Very low | 105 Ų | 105 | 108.8 Ų | 108.8 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -77.8 | -19.8 | 176.8 | -78 | -20.4 | 0 | 0 | 0 | 114 | Q2530 Q2531 R2532 S2537 K2538 | Q2530-D2534 PolarHBondContact O-N 3.26Å; Q2531-D2534 PolarHBondContact O-N 3.43Å; R2532-D2534 VanDerWaalsContact C-N 3.3Å; R2532-D2534 PolarHBondContact O-N 3.23Å; D2534-S2537 PolarHBondContact O-OG 3.31Å; D2534-K2538 WeakPolarHBondContact O-CD 3.45Å; D2534-K2538 PolarHBondContact O-NZ 3.23Å |
| 2535 | E | 51.3 | Low | 44.4 | Very low | 143.8 Ų | 143.8 | 112 Ų | 112 | 67% | 0.672 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -89.7 | -41.6 | 177.7 | -71.6 | -168.1 | 153.2 | 0 | 0 | 112.9 | Q2531 R2532 L2533 S2537 K2538 | Q2531-E2535 WeakPolarHBondContact O-CG 3.47Å; Q2531-E2535 PolarHBondContact O-N 2.86Å; R2532-E2535 PolarHBondContact O-N 3.01Å; L2533-E2535 VanDerWaalsContact C-N 3.35Å; E2535-S2537 PolarHBondContact O-N 3.01Å; E2535-S2537 VanDerWaalsContact O-N 3.15Å; E2535-K2538 PolarHBondContact O-N 3.06Å; E2535-K2538 VanDerWaalsContact O-N 3.11Å |
| 2536 | E | 47.5 | Very low | 44.1 | Very low | 149 Ų | 149 | 117.6 Ų | 117.6 | 70% | 0.696 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.8 | -20.5 | 176.5 | -72.2 | -168.5 | 157.7 | 0 | 0 | 112.6 | R2532 K2538 K2555 | R2532-E2536 PolarHBondContact O-N 3.16Å; R2532-E2536 VanDerWaalsContact O-N 3.09Å; E2536-K2538 VanDerWaalsContact C-N 3.3Å; E2536-K2538 PolarHBondContact O-N 3.11Å; E2536-K2555 IonicContact OE1-NZ 3.73Å; E2536-K2555 PolarHBondContact OE1-NZ 3.28Å |
| 2537 | S | 48.1 | Very low | 43.9 | Very low | 82.8 Ų | 82.8 | 122.4 Ų | 122.4 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -2 | 176 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | L2533 D2534 E2535 | L2533-S2537 WeakPolarHBondContact O-CB 3.28Å; L2533-S2537 PolarHBondContact O-N 3.37Å; L2533-S2537 PolarHBondContact O-OG 3.02Å; D2534-S2537 PolarHBondContact O-OG 3.31Å; E2535-S2537 PolarHBondContact O-N 3.01Å; E2535-S2537 VanDerWaalsContact O-N 3.15Å |
| 2538 | K | 45.8 | Very low | 43.6 | Very low | 166.8 Ų | 166.8 | 123.5 Ų | 123.5 | 73% | 0.725 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 5.9 | -171.1 | -78.3 | 176.7 | -172.7 | 141.9 | 0 | 117.3 | D2534 E2535 E2536 | D2534-K2538 WeakPolarHBondContact O-CD 3.45Å; D2534-K2538 PolarHBondContact O-NZ 3.23Å; E2535-K2538 PolarHBondContact O-N 3.06Å; E2535-K2538 VanDerWaalsContact O-N 3.11Å; E2536-K2538 VanDerWaalsContact C-N 3.3Å; E2536-K2538 PolarHBondContact O-N 3.11Å |
| 2539 | V | 41.5 | Very low | 43 | Very low | 114.6 Ų | 114.6 | 126.7 Ų | 126.7 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | trans | -117.2 | 85.7 | 179 | -169.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2540 | N | 38.2 | Very low | 42.4 | Very low | 163.6 Ų | 163.6 | 134.3 Ų | 134.3 | 88% | 0.875 | 72% | 0.716 | S | S | * | * | trans | -115.3 | 83.7 | 167.9 | -91.1 | -42.3 | 0 | 0 | 0 | 110.4 | ||||
| 2541 | T | 43 | Very low | 41.8 | Very low | 117.2 Ų | 117.2 | 137.8 Ų | 137.8 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | trans | -134.9 | 120.1 | 164.9 | 18.7 | 0 | 0 | 0 | 0 | 110 | I2543 | T2541-I2543 PolarHBondContact O-N 2.84Š| ||
| 2542 | P | 39.5 | Very low | 41.3 | Very low | 127.4 Ų | 127.4 | 136.8 Ų | 136.8 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | trans | -84.7 | 124.7 | -177.4 | 31.8 | -32.5 | 0 | 0 | 0 | 111.6 | ||||
| 2543 | I | 40.5 | Very low | 41 | Very low | 159.4 Ų | 159.4 | 140.6 Ų | 140.6 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | -122.1 | 125.4 | 165.7 | -57.7 | -178.9 | 0 | 0 | 0 | 107.5 | T2541 | T2541-I2543 PolarHBondContact O-N 2.84Š| ||
| 2544 | P | 38.3 | Very low | 41.2 | Very low | 107.4 Ų | 107.4 | 142.3 Ų | 142.3 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | trans | -90.4 | 146.6 | -170.3 | 34.2 | -35 | 0 | 0 | 0 | 114.1 | ||||
| 2545 | N | 37.1 | Very low | 41.9 | Very low | 156.2 Ų | 156.2 | 144.9 Ų | 144.9 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | 42.1 | 112.3 | 152.7 | -60.7 | -6.9 | 0 | 0 | 0 | 119.2 | ||||
| 2546 | D | 38 | Very low | 42.7 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | -149.3 | 165.3 | 120.9 | -126.9 | -28.4 | 0 | 0 | 0 | 112.4 | |||||
| 2547 | Q | 39.2 | Very low | 44.3 | Very low | 177.8 Ų | 177.8 | 136.9 Ų | 136.9 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | trans | -96.7 | 145 | -161.7 | -61 | 175.5 | 0.4 | 0 | 0 | 114.7 | ||||
| 2548 | S | 35.5 | Very low | 46.2 | Very low | 116.2 Ų | 116.2 | 135.2 Ų | 135.2 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | 118.5 | 114 | 154.1 | 60.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2549 | S | 37.2 | Very low | 48.1 | Very low | 110.8 Ų | 110.8 | 131.5 Ų | 131.5 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | trans | 144 | 111 | 146.8 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | E2551 | S2549-E2551 PolarHBondContact O-N 3.21Å; S2549-E2551 VanDerWaalsContact O-N 3.07Å | ||
| 2550 | Q | 32.5 | Very low | 50.4 | Low | 207 Ų | 207 | 132.6 Ų | 132.6 | 97% | 0.967 | 71% | 0.712 | S | S | * | * | trans | -82.3 | 93.6 | 167.9 | -76.3 | -176.9 | -36.3 | 0 | 0 | 110.5 | ||||
| 2551 | E | 35.1 | Very low | 53 | Low | 180.2 Ų | 180.2 | 129.2 Ų | 129.2 | 84% | 0.842 | 69% | 0.689 | S | S | * | * | trans | -104.7 | 125.7 | 154.5 | -69.1 | -170 | 154.8 | 0 | 0 | 107.9 | S2549 E2553 | S2549-E2551 PolarHBondContact O-N 3.21Å; S2549-E2551 VanDerWaalsContact O-N 3.07Å; E2551-E2553 PolarHBondContact O-N 3.23Å; E2551-E2553 VanDerWaalsContact O-N 3.07Å | ||
| 2552 | S | 38 | Very low | 55.2 | Low | 111.4 Ų | 111.4 | 125.6 Ų | 125.6 | 78% | 0.779 | 67% | 0.665 | S | S | * | * | trans | -76.9 | 95 | -177.8 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | F2554 | S2552-F2554 WeakPolarHBondContact O-CD2 3.33Å; S2552-F2554 PolarHBondContact O-N 3.1Å; S2552-F2554 VanDerWaalsContact O-N 3.16Å | ||
| 2553 | E | 40.9 | Very low | 57.7 | Low | 184.4 Ų | 184.4 | 121.2 Ų | 121.2 | 86% | 0.862 | 63% | 0.634 | S | S | * | * | trans | -58.7 | 111.1 | 177.5 | -166 | 172.9 | -144.6 | 0 | 0 | 110.9 | E2551 K2555 | E2551-E2553 PolarHBondContact O-N 3.23Å; E2551-E2553 VanDerWaalsContact O-N 3.07Å; E2553-K2555 PolarHBondContact O-N 3.05Å; E2553-K2555 VanDerWaalsContact O-N 3.13Å | ||
| 2554 | F | 52.3 | Low | 60.3 | Low | 145.6 Ų | 145.6 | 115.2 Ų | 115.2 | 64% | 0.639 | 60% | 0.602 | S | S | * | * | trans | -76.3 | 95.6 | -175 | -132.9 | -90.7 | 0 | 0 | 0 | 109.9 | D2495 L2499 S2552 | D2495-F2554 HydrophobicContact CB-CE1 4.45Å; D2495-F2554 HydrophobicContact CB-CZ 4.15Å; L2499-F2554 HydrophobicContact CD1-CD1 4.43Å; S2552-F2554 WeakPolarHBondContact O-CD2 3.33Å; S2552-F2554 PolarHBondContact O-N 3.1Å; S2552-F2554 VanDerWaalsContact O-N 3.16Å | ||
| 2555 | K | 59.7 | Low | 63 | Low | 160.2 Ų | 160.2 | 110.1 Ų | 110.1 | 70% | 0.697 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 132.3 | 174.6 | -93.8 | -168.2 | 174.4 | -166.2 | 0 | 110.5 | E2536 E2553 | E2536-K2555 IonicContact OE1-NZ 3.73Å; E2536-K2555 PolarHBondContact OE1-NZ 3.28Å; E2553-K2555 PolarHBondContact O-N 3.05Å; E2553-K2555 VanDerWaalsContact O-N 3.13Å |
| 2556 | P | 69.9 | Low | 65.6 | Low | 76.4 Ų | 76.4 | 104.5 Ų | 104.5 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 146.8 | 176.8 | 25.7 | -33.8 | 0 | 0 | 0 | 111.4 | ||
| 2557 | L | 79.6 | Confident | 68.3 | Low | 47.6 Ų | 47.6 | 96.8 Ų | 96.8 | 25% | 0.249 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 144.1 | 177 | -85.9 | 67.7 | 0 | 0 | 0 | 110.7 | K2561 I2562 L2565 | L2557-K2561 HydrophobicContact CB-CB 4.2Å; L2557-K2561 HydrophobicContact CD2-CB 4.09Å; L2557-K2561 HydrophobicContact CG-CB 4.27Å; L2557-K2561 HydrophobicContact CG-CD 4.42Å; L2557-I2562 HydrophobicContact CB-CD1 4.47Å; L2557-I2562 HydrophobicContact CB-CG1 4.13Å; L2557-L2565 HydrophobicContact CD2-CD1 3.7Å |
| 2558 | S | 87.6 | Confident | 71 | Confident | 47.4 Ų | 47.4 | 88.4 Ų | 88.4 | 33% | 0.331 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 156.3 | 173.1 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | E2560 K2561 I2562 | S2558-E2560 WeakPolarHBondContact CB-OE2 3.42Å; S2558-E2560 PolarHBondContact O-N 3.05Å; S2558-E2560 VanDerWaalsContact O-N 3.14Å; S2558-E2560 PolarHBondContact OG-OE2 3.49Å; S2558-K2561 PolarHBondContact O-N 2.97Å; S2558-K2561 VanDerWaalsContact O-N 3.07Å; S2558-K2561 WeakPolarHBondContact OG-CG 3.25Å; S2558-I2562 WeakPolarHBondContact O-CD1 3.37Å; S2558-I2562 PolarHBondContact O-N 3.03Å; S2558-I2562 VanDerWaalsContact O-N 3.11Å |
| 2559 | K | 86.4 | Confident | 73.9 | Confident | 89.2 Ų | 89.2 | 84.8 Ų | 84.8 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -52.4 | -36.7 | 176.7 | -64.2 | -172.5 | -177.6 | -175 | 0 | 112.3 | D2526 C2529 I2562 H2563 | D2526-K2559 PolarHBondContact O-NZ 3.2Å; D2526-K2559 VanDerWaalsContact OD1-CE 3.3Å; D2526-K2559 WeakPolarHBondContact OD1-CE 3.27Å; D2526-K2559 IonicContact OD1-NZ 3.16Å; D2526-K2559 PolarHBondContact OD1-NZ 3.18Å; D2526-K2559 IonicContact OD2-NZ 3.22Å; D2526-K2559 PolarHBondContact OD2-NZ 3.4Å; C2529-K2559 VanDerWaalsContact CB-CE 3.42Å; C2529-K2559 VanDerWaalsContact SG-CE 3.52Å; C2529-K2559 WeakPolarHBondContact SG-CE 3.4Å; K2559-I2562 PolarHBondContact O-N 3.23Å; K2559-H2563 WeakPolarHBondContact O-CB 3.29Å; K2559-H2563 PolarHBondContact O-N 3.29Å |
| 2560 | E | 89.8 | Confident | 76.6 | Confident | 136.2 Ų | 136.2 | 80.3 Ų | 80.3 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.9 | -47.4 | 176 | -61.6 | 158.7 | 160.5 | 0 | 0 | 112.1 | S2558 I2562 H2563 H2564 | S2558-E2560 WeakPolarHBondContact CB-OE2 3.42Å; S2558-E2560 PolarHBondContact O-N 3.05Å; S2558-E2560 VanDerWaalsContact O-N 3.14Å; S2558-E2560 PolarHBondContact OG-OE2 3.49Å; E2560-I2562 VanDerWaalsContact C-N 3.3Å; E2560-I2562 PolarHBondContact O-N 3.16Å; E2560-H2563 WeakPolarHBondContact O-CA 3.2Å; E2560-H2563 WeakPolarHBondContact O-CB 3.43Å; E2560-H2563 PolarHBondContact O-N 3.02Å; E2560-H2563 VanDerWaalsContact O-N 3.13Å; E2560-H2564 PolarHBondContact O-CD2 3.02Å; E2560-H2564 VanDerWaalsContact O-CG 3.26Å; E2560-H2564 PolarHBondContact O-N 3.23Å |
| 2561 | K | 92 | Very high | 79.7 | Confident | 93.8 Ų | 93.8 | 70.5 Ų | 70.5 | 41% | 0.408 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 177.7 | -69.9 | -178.3 | 173 | -169.6 | 0 | 112.3 | L2557 S2558 L2565 L2627 | L2557-K2561 HydrophobicContact CB-CB 4.2Å; L2557-K2561 HydrophobicContact CD2-CB 4.09Å; L2557-K2561 HydrophobicContact CG-CB 4.27Å; L2557-K2561 HydrophobicContact CG-CD 4.42Å; S2558-K2561 PolarHBondContact O-N 2.97Å; S2558-K2561 VanDerWaalsContact O-N 3.07Å; S2558-K2561 WeakPolarHBondContact OG-CG 3.25Å; K2561-L2565 VanDerWaalsContact O-CG 3.32Å; K2561-L2565 WeakPolarHBondContact O-CG 3.33Å; K2561-L2565 PolarHBondContact O-N 3.15Å; K2561-L2565 VanDerWaalsContact O-N 3.1Å; K2561-L2627 HydrophobicContact CB-CD1 3.8Å; K2561-L2627 HydrophobicContact CD-CD1 4.44Å; K2561-L2627 HydrophobicContact CD-CD2 3.92Å; K2561-L2627 HydrophobicContact CG-CD1 3.99Å; K2561-L2627 HydrophobicContact CG-CD2 4.32Å |
| 2562 | I | 90.6 | Very high | 82.5 | Confident | 40.4 Ų | 40.4 | 62.1 Ų | 62.1 | 21% | 0.207 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 173.6 | -64 | 167 | 0 | 0 | 0 | 110.6 | L2493 L2498 L2557 S2558 K2559 E2560 L2565 N2566 | L2493-I2562 HydrophobicContact CD2-CG2 4.26Å; L2498-I2562 HydrophobicContact CD1-CB 4.3Å; L2498-I2562 HydrophobicContact CD1-CD1 3.25Å; L2498-I2562 HydrophobicContact CD1-CG1 3.58Å; L2498-I2562 HydrophobicContact CD1-CG2 3.75Å; L2557-I2562 HydrophobicContact CB-CD1 4.47Å; L2557-I2562 HydrophobicContact CB-CG1 4.13Å; S2558-I2562 WeakPolarHBondContact O-CD1 3.37Å; S2558-I2562 PolarHBondContact O-N 3.03Å; S2558-I2562 VanDerWaalsContact O-N 3.11Å; K2559-I2562 PolarHBondContact O-N 3.23Å; E2560-I2562 VanDerWaalsContact C-N 3.3Å; E2560-I2562 PolarHBondContact O-N 3.16Å; I2562-L2565 PolarHBondContact O-N 3.11Å; I2562-N2566 WeakPolarHBondContact O-CB 3.43Å; I2562-N2566 PolarHBondContact O-N 2.94Å; I2562-N2566 PolarHBondContact O-ND2 3.23Å |
| 2563 | H | 92.4 | Very high | 85.2 | Confident | 36.4 Ų | 36.4 | 57.5 Ų | 57.5 | 17% | 0.169 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.9 | -51.8 | 173.8 | 170.8 | 68.8 | 0 | 0 | 0 | 111.8 | K2559 E2560 L2565 N2566 V2567 H2594 D2620 | K2559-H2563 WeakPolarHBondContact O-CB 3.29Å; K2559-H2563 PolarHBondContact O-N 3.29Å; E2560-H2563 WeakPolarHBondContact O-CA 3.2Å; E2560-H2563 WeakPolarHBondContact O-CB 3.43Å; E2560-H2563 PolarHBondContact O-N 3.02Å; E2560-H2563 VanDerWaalsContact O-N 3.13Å; H2563-L2565 VanDerWaalsContact C-N 3.34Å; H2563-L2565 PolarHBondContact O-N 3.18Å; H2563-N2566 PolarHBondContact O-N 3Å; H2563-N2566 VanDerWaalsContact O-N 3.12Å; H2563-V2567 VanDerWaalsContact CE1-CG2 3.45Å; H2563-V2567 WeakPolarHBondContact CE1-CG2 3.26Å; H2563-V2567 WeakPolarHBondContact O-CG2 3.37Å; H2563-V2567 PolarHBondContact O-N 3.25Å; H2563-H2594 PolarHBondContact CE1-O 3.2Å; H2563-H2594 PolarHBondContact ND1-O 3.02Å; H2563-D2620 IonicContact CD2-OD1 3.03Å; H2563-D2620 IonicContact CD2-OD2 3.08Å; H2563-D2620 IonicContact CE1-OD2 3.28Å; H2563-D2620 IonicContact NE2-OD1 3.83Å; H2563-D2620 PolarHBondContact NE2-OD1 2.64Å; H2563-D2620 IonicContact NE2-OD2 3.26Å; H2563-D2620 PolarHBondContact NE2-OD2 3.14Å |
| 2564 | H | 94.4 | Very high | 87.8 | Confident | 32.8 Ų | 32.8 | 48.8 Ų | 48.8 | 15% | 0.152 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.9 | -46.4 | 177.5 | -55.8 | -77.8 | 0 | 0 | 0 | 111.7 | E2560 N2566 V2567 L2568 D2620 E2623 A2624 | E2560-H2564 PolarHBondContact O-CD2 3.02Å; E2560-H2564 VanDerWaalsContact O-CG 3.26Å; E2560-H2564 PolarHBondContact O-N 3.23Å; H2564-N2566 PolarHBondContact O-N 3.09Å; H2564-V2567 PolarHBondContact O-N 2.89Å; H2564-L2568 PolarHBondContact O-N 3.28Å; H2564-D2620 IonicContact CD2-OD1 3.16Å; H2564-D2620 IonicContact CE1-OD1 3.37Å; H2564-D2620 PolarHBondContact CE1-OD1 3.42Å; H2564-D2620 IonicContact ND1-OD1 2.73Å; H2564-D2620 PolarHBondContact ND1-OD1 3.41Å; H2564-D2620 IonicContact NE2-OD1 2.66Å; H2564-E2623 HydrophobicContact CB-CB 4.44Å; H2564-E2623 VanDerWaalsContact ND1-CB 3.32Å; H2564-E2623 WeakPolarHBondContact ND1-CB 3.27Å; H2564-A2624 HydrophobicContact CB-CB 3.95Å; H2564-A2624 VanDerWaalsContact O-CB 3.26Å; H2564-A2624 WeakPolarHBondContact O-CB 3.25Å |
| 2565 | L | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 177.2 | -72.1 | 171.2 | 0 | 0 | 0 | 113.1 | P2489 L2492 L2493 L2557 K2561 I2562 H2563 L2568 Y2569 L2627 | P2489-L2565 HydrophobicContact CB-CB 4.45Å; P2489-L2565 HydrophobicContact CB-CD2 4.06Å; L2492-L2565 HydrophobicContact CB-CD1 3.78Å; L2492-L2565 HydrophobicContact CB-CD2 4.38Å; L2492-L2565 HydrophobicContact CD1-CD1 4.3Å; L2492-L2565 HydrophobicContact CD1-CD2 3.82Å; L2493-L2565 HydrophobicContact CD1-CB 4.33Å; L2493-L2565 HydrophobicContact CD2-CB 3.79Å; L2493-L2565 HydrophobicContact CD2-CD1 4.4Å; L2493-L2565 HydrophobicContact CG-CB 4Å; L2493-L2565 HydrophobicContact CG-CD1 4.5Å; L2557-L2565 HydrophobicContact CD2-CD1 3.7Å; K2561-L2565 VanDerWaalsContact O-CG 3.32Å; K2561-L2565 WeakPolarHBondContact O-CG 3.33Å; K2561-L2565 PolarHBondContact O-N 3.15Å; K2561-L2565 VanDerWaalsContact O-N 3.1Å; I2562-L2565 PolarHBondContact O-N 3.11Å; H2563-L2565 VanDerWaalsContact C-N 3.34Å; H2563-L2565 PolarHBondContact O-N 3.18Å; L2565-L2568 PolarHBondContact O-N 3.12Å; L2565-Y2569 VanDerWaalsContact O-CB 3.29Å; L2565-Y2569 WeakPolarHBondContact O-CB 3.25Å; L2565-Y2569 PolarHBondContact O-N 3.05Å; L2565-L2627 HydrophobicContact CD1-CD1 4.27Å; L2565-L2627 HydrophobicContact CD2-CB 4.17Å; L2565-L2627 HydrophobicContact CD2-CD1 4.28Å; L2565-L2627 HydrophobicContact CG-CD1 3.97Å |
| 2566 | N | 92.7 | Very high | 91.6 | Very high | 38.4 Ų | 38.4 | 34.4 Ų | 34.4 | 21% | 0.205 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 174.5 | -75.2 | -29.7 | 0 | 0 | 0 | 112 | L2493 I2562 H2563 H2564 L2568 Y2569 H2570 | L2493-N2566 WeakPolarHBondContact CD1-OD1 3.3Å; L2493-N2566 WeakPolarHBondContact CD2-OD1 3.29Å; I2562-N2566 WeakPolarHBondContact O-CB 3.43Å; I2562-N2566 PolarHBondContact O-N 2.94Å; I2562-N2566 PolarHBondContact O-ND2 3.23Å; H2563-N2566 PolarHBondContact O-N 3Å; H2563-N2566 VanDerWaalsContact O-N 3.12Å; H2564-N2566 PolarHBondContact O-N 3.09Å; N2566-L2568 VanDerWaalsContact C-N 3.34Å; N2566-L2568 PolarHBondContact O-N 3.05Å; N2566-Y2569 WeakPolarHBondContact O-CB 3.37Å; N2566-Y2569 PolarHBondContact O-N 3.12Å; N2566-H2570 PolarHBondContact O-CD2 3.04Å; N2566-H2570 PolarHBondContact O-N 3.28Å |
| 2567 | V | 95 | Very high | 92.7 | Very high | 1.2 Ų | 1.2 | 31.5 Ų | 31.5 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 174.4 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | H2563 H2564 H2570 M2571 F2591 F2595 L2617 D2620 L2621 | H2563-V2567 VanDerWaalsContact CE1-CG2 3.45Å; H2563-V2567 WeakPolarHBondContact CE1-CG2 3.26Å; H2563-V2567 WeakPolarHBondContact O-CG2 3.37Å; H2563-V2567 PolarHBondContact O-N 3.25Å; H2564-V2567 PolarHBondContact O-N 2.89Å; V2567-H2570 PolarHBondContact O-N 3.16Å; V2567-M2571 WeakPolarHBondContact O-CB 3.33Å; V2567-M2571 PolarHBondContact O-N 3.2Å; V2567-F2591 HydrophobicContact CG1-CE2 4.27Å; V2567-F2595 HydrophobicContact CG1-CD2 4.12Å; V2567-F2595 HydrophobicContact CG1-CE2 4.46Å; V2567-F2595 HydrophobicContact CG2-CD2 3.95Å; V2567-L2617 HydrophobicContact CG1-CD1 3.8Å; V2567-D2620 HydrophobicContact CB-CB 4.41Å; V2567-D2620 HydrophobicContact CG1-CB 4.04Å; V2567-L2621 HydrophobicContact CG1-CD2 4.43Å |
| 2568 | L | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.2 | 178.4 | 60.9 | 0 | 0 | 0 | 112.4 | I2484 A2487 P2489 H2564 L2565 N2566 H2570 M2571 Q2572 L2621 A2624 L2625 | I2484-L2568 HydrophobicContact CB-CD1 4.4Å; I2484-L2568 HydrophobicContact CG1-CD1 4.06Å; I2484-L2568 HydrophobicContact CG2-CD1 4.1Å; A2487-L2568 HydrophobicContact CB-CD1 4.42Å; A2487-L2568 HydrophobicContact CB-CD2 4Å; A2487-L2568 HydrophobicContact CB-CG 4.44Å; P2489-L2568 HydrophobicContact CB-CD2 4.32Å; P2489-L2568 HydrophobicContact CB-CG 4.48Å; P2489-L2568 HydrophobicContact CG-CD2 4.46Å; P2489-L2568 HydrophobicContact CG-CG 4.28Å; H2564-L2568 PolarHBondContact O-N 3.28Å; L2565-L2568 PolarHBondContact O-N 3.12Å; N2566-L2568 VanDerWaalsContact C-N 3.34Å; N2566-L2568 PolarHBondContact O-N 3.05Å; L2568-H2570 PolarHBondContact O-N 3.16Å; L2568-M2571 WeakPolarHBondContact O-CB 3.37Å; L2568-M2571 PolarHBondContact O-N 3.19Å; L2568-M2571 VanDerWaalsContact O-N 3.16Å; L2568-Q2572 HydrophobicContact CD1-CG 4.38Å; L2568-Q2572 VanDerWaalsContact O-CB 3.3Å; L2568-Q2572 WeakPolarHBondContact O-CB 3.39Å; L2568-Q2572 WeakPolarHBondContact O-CG 3.34Å; L2568-Q2572 PolarHBondContact O-N 3.07Å; L2568-L2621 HydrophobicContact CB-CD2 4.36Å; L2568-L2621 HydrophobicContact CD1-CD2 3.94Å; L2568-A2624 HydrophobicContact CB-CB 3.56Å; L2568-A2624 HydrophobicContact CD2-CB 3.64Å; L2568-A2624 HydrophobicContact CG-CB 4.19Å; L2568-L2625 HydrophobicContact CD1-CD2 4.04Å; L2568-L2625 HydrophobicContact CD1-CG 4.33Å; L2568-L2625 HydrophobicContact CD2-CD2 4.02Å; L2568-L2625 HydrophobicContact CD2-CG 4.31Å |
| 2569 | Y | 94.6 | Very high | 93.5 | Very high | 42 Ų | 42 | 29.3 Ų | 29.3 | 17% | 0.165 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 178.5 | 174.5 | -99.1 | 0 | 0 | 0 | 112.9 | N2340 P2489 E2490 L2493 L2565 N2566 Q2572 T2573 R2908 | N2340-Y2569 PolarHBondContact OD1-OH 3.35Å; P2489-Y2569 HydrophobicContact CG-CD2 4.33Å; E2490-Y2569 HydrophobicContact CG-CD2 3.83Å; E2490-Y2569 HydrophobicContact CG-CE2 3.59Å; E2490-Y2569 VanDerWaalsContact CG-CE2 3.41Å; E2490-Y2569 WeakPolarHBondContact OE1-CE2 3.48Å; E2490-Y2569 PolarHBondContact OE1-OH 3.24Å; L2493-Y2569 HydrophobicContact CD1-CD2 4.33Å; L2493-Y2569 HydrophobicContact CD1-CG 4.27Å; L2565-Y2569 VanDerWaalsContact O-CB 3.29Å; L2565-Y2569 WeakPolarHBondContact O-CB 3.25Å; L2565-Y2569 PolarHBondContact O-N 3.05Å; N2566-Y2569 WeakPolarHBondContact O-CB 3.37Å; N2566-Y2569 PolarHBondContact O-N 3.12Å; Y2569-Q2572 WeakPolarHBondContact O-CB 3.34Å; Y2569-Q2572 PolarHBondContact O-N 3.44Å; Y2569-T2573 PolarHBondContact O-N 3.38Å; Y2569-T2573 PolarHBondContact O-OG1 3.25Å; Y2569-R2908 VanDerWaalsContact CE2-CD 3.49Å; Y2569-R2908 VanDerWaalsContact CZ-CZ 3.47Å; Y2569-R2908 PolarHBondContact O-NH2 3.34Å; Y2569-R2908 WeakPolarHBondContact OH-CD 3.17Å; Y2569-R2908 PolarHBondContact OH-NH1 2.83Å |
| 2570 | H | 95 | Very high | 93.5 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.4 | -34.8 | 176.4 | -66.7 | -57.4 | 0 | 0 | 0 | 112.6 | N2566 V2567 L2568 Q2572 T2573 I2574 E2590 F2591 H2594 | N2566-H2570 PolarHBondContact O-CD2 3.04Å; N2566-H2570 PolarHBondContact O-N 3.28Å; V2567-H2570 PolarHBondContact O-N 3.16Å; L2568-H2570 PolarHBondContact O-N 3.16Å; H2570-Q2572 PolarHBondContact O-N 3.09Å; H2570-T2573 WeakPolarHBondContact O-CA 3.34Å; H2570-T2573 VanDerWaalsContact O-CB 3.27Å; H2570-T2573 WeakPolarHBondContact O-CB 3.24Å; H2570-T2573 PolarHBondContact O-N 3.31Å; H2570-T2573 VanDerWaalsContact O-N 3.11Å; H2570-I2574 VanDerWaalsContact O-CG1 3.28Å; H2570-I2574 WeakPolarHBondContact O-CG1 3.25Å; H2570-I2574 PolarHBondContact O-N 3.16Å; H2570-E2590 WeakPolarHBondContact ND1-CB 3.1Å; H2570-F2591 HydrophobicContact CB-CB 4.08Å; H2570-F2591 HydrophobicContact CB-CD2 4.04Å; H2570-H2594 AromaticContact CD2-CG 3.79Å; H2570-H2594 AromaticContact CD2-ND1 3.65Å; H2570-H2594 PolarHBondContact CD2-ND1 3.45Å; H2570-H2594 AromaticContact CE1-CE1 3.9Å; H2570-H2594 AromaticContact CE1-ND1 3.7Å; H2570-H2594 AromaticContact NE2-CD2 3.92Å; H2570-H2594 AromaticContact NE2-CE1 3.47Å; H2570-H2594 PolarHBondContact NE2-CE1 2.95Å; H2570-H2594 AromaticContact NE2-CG 3.48Å; H2570-H2594 AromaticContact NE2-ND1 3.09Å; H2570-H2594 PolarHBondContact NE2-ND1 3.12Å; H2570-H2594 VanDerWaalsContact NE2-ND1 3.17Å; H2570-H2594 AromaticContact NE2-NE2 3.96Å |
| 2571 | M | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 173.9 | -171.1 | 61.7 | 155 | 0 | 0 | 112 | I2471 L2474 I2484 V2567 L2568 T2573 I2574 F2575 L2617 L2621 | I2471-M2571 HydrophobicContact CB-CE 4.48Å; I2471-M2571 HydrophobicContact CG1-CE 4.25Å; I2471-M2571 HydrophobicContact CG1-SD 4.43Å; I2471-M2571 HydrophobicContact CG2-CE 4.22Å; I2471-M2571 HydrophobicContact CG2-SD 4.22Å; L2474-M2571 HydrophobicContact CB-CE 4.36Å; L2474-M2571 HydrophobicContact CD1-CE 4.2Å; I2484-M2571 HydrophobicContact CD1-CG 4.2Å; I2484-M2571 HydrophobicContact CG2-CG 4.36Å; V2567-M2571 WeakPolarHBondContact O-CB 3.33Å; V2567-M2571 PolarHBondContact O-N 3.2Å; L2568-M2571 WeakPolarHBondContact O-CB 3.37Å; L2568-M2571 PolarHBondContact O-N 3.19Å; L2568-M2571 VanDerWaalsContact O-N 3.16Å; M2571-T2573 VanDerWaalsContact C-N 3.26Å; M2571-T2573 PolarHBondContact O-N 3.14Å; M2571-I2574 PolarHBondContact O-N 3.18Å; M2571-I2574 VanDerWaalsContact O-N 3.17Å; M2571-I2574 HydrophobicContact SD-CD1 4.34Å; M2571-F2575 HydrophobicContact CE-CD1 4.21Å; M2571-F2575 HydrophobicContact CE-CE1 3.38Å; M2571-F2575 HydrophobicContact CE-CE2 4.45Å; M2571-F2575 HydrophobicContact CE-CZ 3.53Å; M2571-F2575 VanDerWaalsContact CE-CZ 3.49Å; M2571-F2575 HydrophobicContact CG-CD1 4.48Å; M2571-F2575 HydrophobicContact CG-CE1 4.39Å; M2571-F2575 WeakPolarHBondContact O-CB 3.16Å; M2571-F2575 PolarHBondContact O-N 3.04Å; M2571-F2575 HydrophobicContact SD-CD1 4.12Å; M2571-F2575 HydrophobicContact SD-CE1 3.8Å; M2571-F2575 HydrophobicContact SD-CZ 4.38Å; M2571-L2617 HydrophobicContact CE-CD2 3.98Å; M2571-L2621 HydrophobicContact CB-CD2 3.96Å; M2571-L2621 HydrophobicContact CE-CD1 4.19Å; M2571-L2621 HydrophobicContact CG-CD1 4.31Å; M2571-L2621 HydrophobicContact CG-CD2 3.93Å |
| 2572 | Q | 94.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 2% | 0.023 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.6 | -41.5 | 170.6 | -159.4 | -174.6 | 56.3 | 0 | 0 | 111.5 | I2484 L2485 A2487 E2490 L2568 Y2569 H2570 I2574 F2575 G2576 T2906 V2909 | I2484-Q2572 HydrophobicContact CG2-CB 4.16Å; I2484-Q2572 HydrophobicContact CG2-CG 3.73Å; I2484-Q2572 VanDerWaalsContact O-CG 3.27Å; I2484-Q2572 WeakPolarHBondContact O-CG 3.4Å; I2484-Q2572 PolarHBondContact O-NE2 3.01Å; L2485-Q2572 HydrophobicContact CD2-CG 4.42Å; L2485-Q2572 PolarHBondContact O-NE2 3.11Å; A2487-Q2572 PolarHBondContact O-NE2 3.08Å; E2490-Q2572 PolarHBondContact OE1-OE1 3.06Å; L2568-Q2572 HydrophobicContact CD1-CG 4.38Å; L2568-Q2572 VanDerWaalsContact O-CB 3.3Å; L2568-Q2572 WeakPolarHBondContact O-CB 3.39Å; L2568-Q2572 WeakPolarHBondContact O-CG 3.34Å; L2568-Q2572 PolarHBondContact O-N 3.07Å; Y2569-Q2572 WeakPolarHBondContact O-CB 3.34Å; Y2569-Q2572 PolarHBondContact O-N 3.44Å; H2570-Q2572 PolarHBondContact O-N 3.09Å; Q2572-I2574 VanDerWaalsContact C-N 3.28Å; Q2572-I2574 PolarHBondContact O-N 3.45Å; Q2572-F2575 PolarHBondContact O-N 3.11Å; Q2572-F2575 VanDerWaalsContact O-N 3.16Å; Q2572-G2576 PolarHBondContact O-N 3.06Å; Q2572-T2906 PolarHBondContact OE1-OG1 3.16Å; Q2572-V2909 HydrophobicContact CG-CG2 4.13Å |
| 2573 | T | 93.8 | Very high | 92.4 | Very high | 15.2 Ų | 15.2 | 24.7 Ų | 24.7 | 9% | 0.093 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 175.7 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | Y2569 H2570 M2571 F2575 G2576 H2577 R2908 | Y2569-T2573 PolarHBondContact O-N 3.38Å; Y2569-T2573 PolarHBondContact O-OG1 3.25Å; H2570-T2573 WeakPolarHBondContact O-CA 3.34Å; H2570-T2573 VanDerWaalsContact O-CB 3.27Å; H2570-T2573 WeakPolarHBondContact O-CB 3.24Å; H2570-T2573 PolarHBondContact O-N 3.31Å; H2570-T2573 VanDerWaalsContact O-N 3.11Å; M2571-T2573 VanDerWaalsContact C-N 3.26Å; M2571-T2573 PolarHBondContact O-N 3.14Å; T2573-F2575 PolarHBondContact O-N 3.31Å; T2573-G2576 PolarHBondContact O-N 2.91Å; T2573-H2577 PolarHBondContact O-N 3.21Å; T2573-H2577 VanDerWaalsContact O-N 3.16Å; T2573-H2577 PolarHBondContact O-ND1 2.98Å; T2573-R2908 PolarHBondContact OG1-NH1 2.88Å |
| 2574 | I | 96.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 175.4 | -64.8 | 164.9 | 0 | 0 | 0 | 110.7 | L2458 I2471 H2570 M2571 Q2572 G2576 H2577 L2578 Y2586 P2588 F2591 | L2458-I2574 HydrophobicContact CD2-CG2 3.96Å; I2471-I2574 HydrophobicContact CD1-CD1 4.36Å; I2471-I2574 HydrophobicContact CG2-CG2 3.85Å; H2570-I2574 VanDerWaalsContact O-CG1 3.28Å; H2570-I2574 WeakPolarHBondContact O-CG1 3.25Å; H2570-I2574 PolarHBondContact O-N 3.16Å; M2571-I2574 PolarHBondContact O-N 3.18Å; M2571-I2574 VanDerWaalsContact O-N 3.17Å; M2571-I2574 HydrophobicContact SD-CD1 4.34Å; Q2572-I2574 VanDerWaalsContact C-N 3.28Å; Q2572-I2574 PolarHBondContact O-N 3.45Å; I2574-G2576 VanDerWaalsContact C-N 3.29Å; I2574-G2576 PolarHBondContact O-N 3.01Å; I2574-H2577 CarbonylContact O-C 3.58Å; I2574-H2577 WeakPolarHBondContact O-CB 3.28Å; I2574-H2577 PolarHBondContact O-N 2.99Å; I2574-H2577 VanDerWaalsContact O-N 3.09Å; I2574-L2578 HydrophobicContact CG2-CD1 3.81Å; I2574-L2578 HydrophobicContact CG2-CG 4.07Å; I2574-L2578 WeakPolarHBondContact O-CG 3.33Å; I2574-L2578 PolarHBondContact O-N 3.22Å; I2574-Y2586 HydrophobicContact CB-CE1 4.47Å; I2574-Y2586 HydrophobicContact CG1-CD1 4.23Å; I2574-Y2586 HydrophobicContact CG1-CE1 3.83Å; I2574-Y2586 HydrophobicContact CG2-CD1 4.49Å; I2574-P2588 HydrophobicContact CD1-CB 3.78Å; I2574-P2588 HydrophobicContact CG1-CB 3.91Å; I2574-F2591 HydrophobicContact CD1-CB 3.75Å; I2574-F2591 HydrophobicContact CD1-CD1 4.32Å; I2574-F2591 HydrophobicContact CD1-CD2 3.83Å; I2574-F2591 HydrophobicContact CD1-CG 3.7Å |
| 2575 | F | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.1 | -35.9 | -177.7 | -81.6 | 16.8 | 0 | 0 | 0 | 112.4 | I2471 L2474 F2475 I2480 R2481 I2484 L2485 M2571 Q2572 T2573 L2578 A2579 | I2471-F2575 HydrophobicContact CG2-CE1 4.15Å; L2474-F2575 HydrophobicContact CB-CZ 4.18Å; F2475-F2575 VanDerWaalsContact CA-CZ 3.44Å; F2475-F2575 HydrophobicContact CB-CD1 4.09Å; F2475-F2575 HydrophobicContact CB-CE1 3.6Å; F2475-F2575 HydrophobicContact CB-CZ 3.89Å; F2475-F2575 HydrophobicContact CD2-CB 4.12Å; F2475-F2575 AromaticContact CD2-CD1 3.74Å; F2475-F2575 HydrophobicContact CD2-CD1 3.74Å; F2475-F2575 HydrophobicContact CD2-CD2 4.18Å; F2475-F2575 HydrophobicContact CD2-CE1 4.09Å; F2475-F2575 HydrophobicContact CD2-CE2 4.45Å; F2475-F2575 AromaticContact CD2-CG 3.77Å; F2475-F2575 HydrophobicContact CD2-CG 3.77Å; F2475-F2575 HydrophobicContact CD2-CZ 4.45Å; F2475-F2575 HydrophobicContact CE2-CB 4.38Å; F2475-F2575 HydrophobicContact CE2-CG 4.38Å; F2475-F2575 WeakPolarHBondContact CE2-O 3.34Å; F2475-F2575 HydrophobicContact CG-CD1 4.35Å; F2475-F2575 HydrophobicContact CG-CE1 4.33Å; I2480-F2575 HydrophobicContact CG2-CE2 4.47Å; R2481-F2575 HydrophobicContact CB-CD2 4.21Å; R2481-F2575 HydrophobicContact CB-CE2 4.18Å; R2481-F2575 HydrophobicContact CG-CD2 4.03Å; R2481-F2575 HydrophobicContact CG-CE2 4.45Å; I2484-F2575 HydrophobicContact CB-CD2 4Å; I2484-F2575 HydrophobicContact CB-CE2 4.26Å; I2484-F2575 HydrophobicContact CD1-CD2 4.28Å; I2484-F2575 HydrophobicContact CD1-CE2 3.75Å; I2484-F2575 HydrophobicContact CD1-CZ 4.37Å; I2484-F2575 HydrophobicContact CG2-CD2 3.77Å; I2484-F2575 HydrophobicContact CG2-CE2 4.32Å; I2484-F2575 HydrophobicContact CG2-CG 4.36Å; L2485-F2575 HydrophobicContact CD2-CB 3.68Å; L2485-F2575 HydrophobicContact CG-CB 4.2Å; M2571-F2575 HydrophobicContact CE-CD1 4.21Å; M2571-F2575 HydrophobicContact CE-CE1 3.38Å; M2571-F2575 HydrophobicContact CE-CE2 4.45Å; M2571-F2575 HydrophobicContact CE-CZ 3.53Å; M2571-F2575 VanDerWaalsContact CE-CZ 3.49Å; M2571-F2575 HydrophobicContact CG-CD1 4.48Å; M2571-F2575 HydrophobicContact CG-CE1 4.39Å; M2571-F2575 WeakPolarHBondContact O-CB 3.16Å; M2571-F2575 PolarHBondContact O-N 3.04Å; M2571-F2575 HydrophobicContact SD-CD1 4.12Å; M2571-F2575 HydrophobicContact SD-CE1 3.8Å; M2571-F2575 HydrophobicContact SD-CZ 4.38Å; Q2572-F2575 PolarHBondContact O-N 3.11Å; Q2572-F2575 VanDerWaalsContact O-N 3.16Å; T2573-F2575 PolarHBondContact O-N 3.31Å; F2575-L2578 HydrophobicContact CD1-CD1 4.36Å; F2575-L2578 PolarHBondContact O-N 3.14Å; F2575-A2579 VanDerWaalsContact O-CB 3.29Å; F2575-A2579 WeakPolarHBondContact O-CB 3.35Å; F2575-A2579 PolarHBondContact O-N 3.37Å |
| 2576 | G | 93.5 | Very high | 91.9 | Very high | 4.4 Ų | 4.4 | 29.9 Ų | 29.9 | 5% | 0.045 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q2572 T2573 I2574 A2579 Y2580 | Q2572-G2576 PolarHBondContact O-N 3.06Å; T2573-G2576 PolarHBondContact O-N 2.91Å; I2574-G2576 VanDerWaalsContact C-N 3.29Å; I2574-G2576 PolarHBondContact O-N 3.01Å; G2576-A2579 PolarHBondContact O-N 3.04Å; G2576-Y2580 WeakPolarHBondContact O-CB 3.25Å; G2576-Y2580 WeakPolarHBondContact O-CD2 3.33Å; G2576-Y2580 PolarHBondContact O-N 3.21Å |
| 2577 | H | 93.1 | Very high | 92 | Very high | 13.8 Ų | 13.8 | 29.2 Ų | 29.2 | 6% | 0.064 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.5 | -40.6 | 174.9 | -70.9 | 83.2 | 0 | 0 | 0 | 112.2 | T2573 I2574 A2579 S2581 Y2586 Q2916 | T2573-H2577 PolarHBondContact O-N 3.21Å; T2573-H2577 VanDerWaalsContact O-N 3.16Å; T2573-H2577 PolarHBondContact O-ND1 2.98Å; I2574-H2577 CarbonylContact O-C 3.58Å; I2574-H2577 WeakPolarHBondContact O-CB 3.28Å; I2574-H2577 PolarHBondContact O-N 2.99Å; I2574-H2577 VanDerWaalsContact O-N 3.09Å; H2577-A2579 VanDerWaalsContact C-N 3.26Å; H2577-A2579 PolarHBondContact O-N 3.29Å; H2577-S2581 WeakPolarHBondContact O-CA 3.29Å; H2577-S2581 WeakPolarHBondContact O-CB 3.28Å; H2577-S2581 PolarHBondContact O-N 2.98Å; H2577-S2581 VanDerWaalsContact O-N 3.12Å; H2577-Y2586 HydrophobicContact CB-CD1 4.25Å; H2577-Y2586 HydrophobicContact CB-CD2 3.78Å; H2577-Y2586 HydrophobicContact CB-CE2 4.33Å; H2577-Y2586 HydrophobicContact CB-CG 3.73Å; H2577-Y2586 AromaticContact CD2-CD2 3.39Å; H2577-Y2586 VanDerWaalsContact CD2-CD2 3.43Å; H2577-Y2586 WeakPolarHBondContact CD2-CD2 3.3Å; H2577-Y2586 AromaticContact CD2-CE2 3.53Å; H2577-Y2586 VanDerWaalsContact CD2-CE2 3.49Å; H2577-Y2586 WeakPolarHBondContact CD2-CE2 3.48Å; H2577-Y2586 AromaticContact CE1-CE2 3.58Å; H2577-Y2586 VanDerWaalsContact CE1-CE2 3.45Å; H2577-Y2586 WeakPolarHBondContact CE1-CE2 3.34Å; H2577-Y2586 AromaticContact CE1-CZ 3.94Å; H2577-Y2586 AromaticContact CG-CD2 3.42Å; H2577-Y2586 VanDerWaalsContact CG-CD2 3.44Å; H2577-Y2586 AromaticContact CG-CE2 3.57Å; H2577-Y2586 AromaticContact CG-CG 3.88Å; H2577-Y2586 AromaticContact ND1-CD2 3.88Å; H2577-Y2586 AromaticContact ND1-CE2 3.59Å; H2577-Y2586 WeakPolarHBondContact ND1-CE2 3.5Å; H2577-Y2586 AromaticContact ND1-CZ 3.82Å; H2577-Y2586 AromaticContact NE2-CD2 3.92Å; H2577-Y2586 AromaticContact NE2-CE2 3.55Å; H2577-Q2916 PolarHBondContact CD2-OE1 3.19Å; H2577-Q2916 VanDerWaalsContact NE2-CD 3.3Å; H2577-Q2916 PolarHBondContact NE2-NE2 3.19Å; H2577-Q2916 PolarHBondContact NE2-OE1 3.05Å; H2577-Q2916 VanDerWaalsContact NE2-OE1 3.12Å |
| 2578 | L | 93.7 | Very high | 91.9 | Very high | 8.4 Ų | 8.4 | 29.2 Ų | 29.2 | 4% | 0.044 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.1 | -30.4 | 177.2 | -66.9 | -179.3 | 0 | 0 | 0 | 113 | V2456 L2458 I2471 F2475 I2574 F2575 | V2456-L2578 HydrophobicContact CB-CD2 4.02Å; V2456-L2578 HydrophobicContact CG1-CD2 4.21Å; V2456-L2578 VanDerWaalsContact O-CD2 3.24Å; V2456-L2578 WeakPolarHBondContact O-CD2 3.31Å; L2458-L2578 HydrophobicContact CD2-CD2 4.04Å; L2458-L2578 HydrophobicContact CG-CD2 4.27Å; I2471-L2578 HydrophobicContact CG2-CD1 4.32Å; F2475-L2578 HydrophobicContact CB-CD1 3.85Å; F2475-L2578 HydrophobicContact CD1-CB 3.92Å; F2475-L2578 HydrophobicContact CD1-CD1 3.99Å; F2475-L2578 HydrophobicContact CD2-CB 3.79Å; F2475-L2578 HydrophobicContact CD2-CD1 3.95Å; F2475-L2578 HydrophobicContact CE1-CB 3.7Å; F2475-L2578 HydrophobicContact CE2-CB 3.55Å; F2475-L2578 HydrophobicContact CG-CB 3.97Å; F2475-L2578 HydrophobicContact CG-CD1 3.63Å; F2475-L2578 HydrophobicContact CG-CG 4.44Å; F2475-L2578 VanDerWaalsContact CZ-C 3.41Å; F2475-L2578 HydrophobicContact CZ-CB 3.52Å; F2475-L2578 WeakPolarHBondContact CZ-O 3.36Å; I2574-L2578 HydrophobicContact CG2-CD1 3.81Å; I2574-L2578 HydrophobicContact CG2-CG 4.07Å; I2574-L2578 WeakPolarHBondContact O-CG 3.33Å; I2574-L2578 PolarHBondContact O-N 3.22Å; F2575-L2578 HydrophobicContact CD1-CD1 4.36Å; F2575-L2578 PolarHBondContact O-N 3.14Å |
| 2579 | A | 90.7 | Very high | 91.7 | Very high | 41.2 Ų | 41.2 | 32.6 Ų | 32.6 | 34% | 0.34 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -86.5 | -38.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F2475 L2485 F2575 G2576 H2577 | F2475-A2579 HydrophobicContact CE2-CB 4.06Å; F2475-A2579 HydrophobicContact CZ-CB 3.97Å; L2485-A2579 HydrophobicContact CD1-CB 4.45Å; F2575-A2579 VanDerWaalsContact O-CB 3.29Å; F2575-A2579 WeakPolarHBondContact O-CB 3.35Å; F2575-A2579 PolarHBondContact O-N 3.37Å; G2576-A2579 PolarHBondContact O-N 3.04Å; H2577-A2579 VanDerWaalsContact C-N 3.26Å; H2577-A2579 PolarHBondContact O-N 3.29Å |
| 2580 | Y | 87.6 | Confident | 91.5 | Very high | 102.4 Ų | 102.4 | 34 Ų | 34 | 40% | 0.402 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -127.3 | -6.6 | -165.7 | -54.9 | -72.6 | 0 | 0 | 0 | 115.5 | F2350 L2485 G2576 S2903 L2905 N2917 | F2350-Y2580 HydrophobicContact CB-CD1 4.41Å; F2350-Y2580 HydrophobicContact CD1-CD1 4.14Å; F2350-Y2580 HydrophobicContact CD1-CG 4.1Å; F2350-Y2580 AromaticContact CD2-CD1 3.62Å; F2350-Y2580 HydrophobicContact CD2-CD1 3.62Å; F2350-Y2580 HydrophobicContact CD2-CD2 4.36Å; F2350-Y2580 AromaticContact CD2-CE1 3.78Å; F2350-Y2580 HydrophobicContact CD2-CE1 3.78Å; F2350-Y2580 HydrophobicContact CD2-CE2 4.49Å; F2350-Y2580 AromaticContact CD2-CG 3.93Å; F2350-Y2580 HydrophobicContact CD2-CG 3.93Å; F2350-Y2580 HydrophobicContact CE1-CD1 4.23Å; F2350-Y2580 HydrophobicContact CE1-CD2 4.31Å; F2350-Y2580 AromaticContact CE1-CG 3.74Å; F2350-Y2580 HydrophobicContact CE1-CG 3.74Å; F2350-Y2580 AromaticContact CE2-CD1 3.7Å; F2350-Y2580 HydrophobicContact CE2-CD1 3.7Å; F2350-Y2580 AromaticContact CE2-CD2 3.58Å; F2350-Y2580 HydrophobicContact CE2-CD2 3.58Å; F2350-Y2580 AromaticContact CE2-CE1 3.92Å; F2350-Y2580 HydrophobicContact CE2-CE1 3.92Å; F2350-Y2580 AromaticContact CE2-CE2 3.8Å; F2350-Y2580 HydrophobicContact CE2-CE2 3.8Å; F2350-Y2580 AromaticContact CE2-CG 3.52Å; F2350-Y2580 HydrophobicContact CE2-CG 3.52Å; F2350-Y2580 AromaticContact CE2-CZ 3.96Å; F2350-Y2580 AromaticContact CG-CD1 3.83Å; F2350-Y2580 HydrophobicContact CG-CD1 3.83Å; F2350-Y2580 HydrophobicContact CG-CE1 4.36Å; F2350-Y2580 HydrophobicContact CG-CG 4.18Å; F2350-Y2580 VanDerWaalsContact CZ-CB 3.47Å; F2350-Y2580 AromaticContact CZ-CD1 4Å; F2350-Y2580 HydrophobicContact CZ-CD1 4Å; F2350-Y2580 AromaticContact CZ-CD2 3.53Å; F2350-Y2580 HydrophobicContact CZ-CD2 3.53Å; F2350-Y2580 HydrophobicContact CZ-CE2 4.22Å; F2350-Y2580 AromaticContact CZ-CG 3.4Å; F2350-Y2580 HydrophobicContact CZ-CG 3.4Å; F2350-Y2580 VanDerWaalsContact CZ-CG 3.4Å; L2485-Y2580 HydrophobicContact CD1-CE2 4.31Å; G2576-Y2580 WeakPolarHBondContact O-CB 3.25Å; G2576-Y2580 WeakPolarHBondContact O-CD2 3.33Å; G2576-Y2580 PolarHBondContact O-N 3.21Å; Y2580-S2903 WeakPolarHBondContact CE1-OG 3.37Å; Y2580-S2903 WeakPolarHBondContact OH-CB 3.47Å; Y2580-S2903 PolarHBondContact OH-OG 3Å; Y2580-S2903 VanDerWaalsContact OH-OG 3.13Å; Y2580-L2905 HydrophobicContact CD2-CD1 4.18Å; Y2580-L2905 HydrophobicContact CD2-CD2 3.72Å; Y2580-L2905 HydrophobicContact CE2-CB 4.42Å; Y2580-L2905 HydrophobicContact CE2-CD1 4.14Å; Y2580-L2905 HydrophobicContact CE2-CD2 3.93Å; Y2580-L2905 HydrophobicContact CE2-CG 4.43Å; Y2580-L2905 HydrophobicContact CG-CD2 4.39Å; Y2580-N2917 PolarHBondContact O-ND2 3.15Å |
| 2581 | S | 86.3 | Confident | 91.4 | Very high | 18.8 Ų | 18.8 | 33.4 Ų | 33.4 | 13% | 0.131 | 17% | 0.165 | C | C | . | . | trans | -79.2 | 149.1 | 177.8 | -161.4 | 0 | 0 | 0 | 0 | 112.2 | V2456 H2577 V2583 Q2916 N2917 | V2456-S2581 VanDerWaalsContact CG2-O 3.23Å; V2456-S2581 WeakPolarHBondContact CG2-O 3.49Å; H2577-S2581 WeakPolarHBondContact O-CA 3.29Å; H2577-S2581 WeakPolarHBondContact O-CB 3.28Å; H2577-S2581 PolarHBondContact O-N 2.98Å; H2577-S2581 VanDerWaalsContact O-N 3.12Å; S2581-V2583 WeakPolarHBondContact OG-CG2 3.4Å; S2581-Q2916 PolarHBondContact OG-OE1 2.62Å; S2581-N2917 WeakPolarHBondContact CA-OD1 3.23Å; S2581-N2917 PolarHBondContact OG-OD1 2.91Å | ||
| 2582 | R | 81.5 | Confident | 91.3 | Very high | 109.4 Ų | 109.4 | 34.6 Ų | 34.6 | 41% | 0.413 | 17% | 0.17 | S | C | . | . | trans | -99.3 | -1.8 | 178.5 | -65.8 | 180 | 167.7 | 153.8 | -4.6 | 113.1 | F2353 S2354 N2917 | F2353-R2582 VanDerWaalsContact CB-NH2 3.26Å; F2353-R2582 PolarHBondContact O-NH1 3.18Å; F2353-R2582 PolarHBondContact O-NH2 3.17Å; S2354-R2582 PolarHBondContact O-NH2 3.07Å; S2354-R2582 VanDerWaalsContact O-NH2 3.11Å; R2582-N2917 VanDerWaalsContact CB-OD1 3.32Å; R2582-N2917 WeakPolarHBondContact CB-OD1 3.45Å; R2582-N2917 WeakPolarHBondContact CG-OD1 3.37Å; R2582-N2917 PolarHBondContact N-OD1 3.16Å; R2582-N2917 PolarHBondContact NH1-ND2 3.48Å | ||
| 2583 | V | 81.4 | Confident | 91 | Very high | 32 Ų | 32 | 41 Ų | 41 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -73.2 | 155.2 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | V2456 S2581 Y2585 Q2916 H2920 | V2456-V2583 HydrophobicContact CG1-CG2 4.15Å; S2581-V2583 WeakPolarHBondContact OG-CG2 3.4Å; V2583-Y2585 VanDerWaalsContact C-N 3.3Å; V2583-Y2585 WeakPolarHBondContact CG2-O 3.38Å; V2583-Y2585 PolarHBondContact O-N 3.14Å; V2583-Q2916 HydrophobicContact CG1-CG 4.08Å; V2583-H2920 HydrophobicContact CG1-CB 3.95Å |
| 2584 | K | 86.1 | Confident | 90.8 | Very high | 76.2 Ų | 76.2 | 42.4 Ų | 42.4 | 33% | 0.331 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -62.6 | -35.5 | 175.2 | -176.3 | 178.7 | 177.7 | -180 | 0 | 112.5 | N2411 Y2442 G2457 H2830 N2831 | N2411-K2584 WeakPolarHBondContact OD1-CD 3.11Å; Y2442-K2584 HydrophobicContact CE1-CD 4.24Å; Y2442-K2584 WeakPolarHBondContact OH-CD 3.25Å; G2457-K2584 PolarHBondContact N-O 3.08Å; K2584-H2830 VanDerWaalsContact CE-O 3.3Å; K2584-H2830 WeakPolarHBondContact CE-O 3.34Å; K2584-N2831 VanDerWaalsContact CE-OD1 3.24Å; K2584-N2831 WeakPolarHBondContact CE-OD1 3.46Å; K2584-N2831 PolarHBondContact NZ-OD1 2.99Å |
| 2585 | Y | 90.9 | Very high | 90.6 | Very high | 74.4 Ų | 74.4 | 42.4 Ų | 42.4 | 29% | 0.292 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 150.3 | 179.8 | 66.4 | -91.6 | 0 | 0 | 0 | 111.9 | L2410 N2411 P2413 G2457 K2459 V2583 H2830 | L2410-Y2585 PolarHBondContact O-OH 2.94Å; L2410-Y2585 VanDerWaalsContact O-OH 3.09Å; N2411-Y2585 HydrophobicContact CB-CE1 3.8Å; N2411-Y2585 HydrophobicContact CB-CE2 4.32Å; N2411-Y2585 WeakPolarHBondContact ND2-CE2 3.29Å; N2411-Y2585 PolarHBondContact ND2-O 3.45Å; N2411-Y2585 PolarHBondContact O-OH 3.45Å; N2411-Y2585 WeakPolarHBondContact OD1-CE1 3.47Å; P2413-Y2585 HydrophobicContact CG-CD2 4.2Å; P2413-Y2585 HydrophobicContact CG-CE2 3.68Å; G2457-Y2585 CarbonylContact O-C 3.53Å; G2457-Y2585 VanDerWaalsContact O-CA 3.22Å; G2457-Y2585 WeakPolarHBondContact O-CA 3.34Å; G2457-Y2585 WeakPolarHBondContact O-CB 3.39Å; K2459-Y2585 HydrophobicContact CB-CD2 3.83Å; K2459-Y2585 HydrophobicContact CB-CE2 3.9Å; K2459-Y2585 HydrophobicContact CD-CE2 4.22Å; K2459-Y2585 HydrophobicContact CG-CD2 4.43Å; K2459-Y2585 HydrophobicContact CG-CE2 4.05Å; V2583-Y2585 VanDerWaalsContact C-N 3.3Å; V2583-Y2585 WeakPolarHBondContact CG2-O 3.38Å; V2583-Y2585 PolarHBondContact O-N 3.14Å; Y2585-H2830 HydrophobicContact CD1-CB 3.73Å; Y2585-H2830 HydrophobicContact CD2-CB 4.12Å; Y2585-H2830 HydrophobicContact CE1-CB 4.32Å; Y2585-H2830 HydrophobicContact CG-CB 3.56Å; Y2585-H2830 VanDerWaalsContact CG-CB 3.49Å |
| 2586 | Y | 93.6 | Very high | 90.3 | Very high | 28.6 Ų | 28.6 | 46.6 Ų | 46.6 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 149.8 | 171 | 179.6 | -113.5 | 0 | 0 | 0 | 111 | G2457 L2458 K2459 I2574 H2577 P2588 | G2457-Y2586 PolarHBondContact O-N 3.22Å; L2458-Y2586 CarbonylContact C-O 3.5Å; L2458-Y2586 WeakPolarHBondContact CA-O 3.44Å; L2458-Y2586 HydrophobicContact CD2-CD1 4.22Å; K2459-Y2586 PolarHBondContact N-O 3.28Å; I2574-Y2586 HydrophobicContact CB-CE1 4.47Å; I2574-Y2586 HydrophobicContact CG1-CD1 4.23Å; I2574-Y2586 HydrophobicContact CG1-CE1 3.83Å; I2574-Y2586 HydrophobicContact CG2-CD1 4.49Å; H2577-Y2586 HydrophobicContact CB-CD1 4.25Å; H2577-Y2586 HydrophobicContact CB-CD2 3.78Å; H2577-Y2586 HydrophobicContact CB-CE2 4.33Å; H2577-Y2586 HydrophobicContact CB-CG 3.73Å; H2577-Y2586 AromaticContact CD2-CD2 3.39Å; H2577-Y2586 VanDerWaalsContact CD2-CD2 3.43Å; H2577-Y2586 WeakPolarHBondContact CD2-CD2 3.3Å; H2577-Y2586 AromaticContact CD2-CE2 3.53Å; H2577-Y2586 VanDerWaalsContact CD2-CE2 3.49Å; H2577-Y2586 WeakPolarHBondContact CD2-CE2 3.48Å; H2577-Y2586 AromaticContact CE1-CE2 3.58Å; H2577-Y2586 VanDerWaalsContact CE1-CE2 3.45Å; H2577-Y2586 WeakPolarHBondContact CE1-CE2 3.34Å; H2577-Y2586 AromaticContact CE1-CZ 3.94Å; H2577-Y2586 AromaticContact CG-CD2 3.42Å; H2577-Y2586 VanDerWaalsContact CG-CD2 3.44Å; H2577-Y2586 AromaticContact CG-CE2 3.57Å; H2577-Y2586 AromaticContact CG-CG 3.88Å; H2577-Y2586 AromaticContact ND1-CD2 3.88Å; H2577-Y2586 AromaticContact ND1-CE2 3.59Å; H2577-Y2586 WeakPolarHBondContact ND1-CE2 3.5Å; H2577-Y2586 AromaticContact ND1-CZ 3.82Å; H2577-Y2586 AromaticContact NE2-CD2 3.92Å; H2577-Y2586 AromaticContact NE2-CE2 3.55Å; Y2586-P2588 HydrophobicContact CD1-CB 4.21Å; Y2586-P2588 HydrophobicContact CE1-CB 3.99Å; Y2586-P2588 WeakPolarHBondContact O-CD 3.15Å |
| 2587 | A | 93.4 | Very high | 89.8 | Confident | 24.2 Ų | 24.2 | 47.3 Ų | 47.3 | 20% | 0.2 | 22% | 0.219 | C | C | . | . | trans | -110.8 | 103.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P2413 K2459 V2589 | P2413-A2587 HydrophobicContact CB-CB 4.01Å; P2413-A2587 HydrophobicContact CG-CB 3.94Å; K2459-A2587 HydrophobicContact CB-CB 3.91Å; K2459-A2587 HydrophobicContact CD-CB 3.81Å; K2459-A2587 HydrophobicContact CG-CB 4.46Å; A2587-V2589 HydrophobicContact CB-CG2 4.29Å; A2587-V2589 PolarHBondContact O-N 3.16Å | ||
| 2588 | P | 93.8 | Very high | 89 | Confident | 0.6 Ų | 0.6 | 55.9 Ų | 55.9 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | trans | -81.1 | 52.1 | -171.1 | 34.3 | -36.8 | 0 | 0 | 0 | 113.1 | L2458 I2574 Y2586 E2590 F2591 W2592 | L2458-P2588 HydrophobicContact CD2-CG 4.45Å; I2574-P2588 HydrophobicContact CD1-CB 3.78Å; I2574-P2588 HydrophobicContact CG1-CB 3.91Å; Y2586-P2588 HydrophobicContact CD1-CB 4.21Å; Y2586-P2588 HydrophobicContact CE1-CB 3.99Å; Y2586-P2588 WeakPolarHBondContact O-CD 3.15Å; P2588-E2590 PolarHBondContact O-N 3Å; P2588-F2591 HydrophobicContact CB-CB 4.16Å; P2588-F2591 WeakPolarHBondContact O-CB 3.32Å; P2588-F2591 PolarHBondContact O-N 3.01Å; P2588-F2591 VanDerWaalsContact O-N 3.13Å; P2588-W2592 HydrophobicContact CG-CH2 4.47Å; P2588-W2592 HydrophobicContact CG-CZ2 3.7Å; P2588-W2592 PolarHBondContact O-N 3.19Å; P2588-W2592 VanDerWaalsContact O-N 3.12Å | ||
| 2589 | V | 91.8 | Very high | 88.3 | Confident | 70.6 Ų | 70.6 | 59.5 Ų | 59.5 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | -174.1 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | A2587 F2591 W2592 R2593 | A2587-V2589 HydrophobicContact CB-CG2 4.29Å; A2587-V2589 PolarHBondContact O-N 3.16Å; V2589-F2591 VanDerWaalsContact C-N 3.3Å; V2589-F2591 PolarHBondContact O-N 3.19Å; V2589-W2592 HydrophobicContact CG2-CE3 4.37Å; V2589-W2592 HydrophobicContact CG2-CZ3 4.17Å; V2589-W2592 PolarHBondContact O-N 3.26Å; V2589-R2593 PolarHBondContact O-N 3.13Å; V2589-R2593 VanDerWaalsContact O-N 3.09Å |
| 2590 | E | 89.5 | Confident | 88 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68 | -28.8 | 179.4 | -62.1 | -51.8 | 129.1 | 0 | 0 | 113 | N2326 H2570 P2588 R2593 H2594 | N2326-E2590 PolarHBondContact ND2-OE2 3.18Å; H2570-E2590 WeakPolarHBondContact ND1-CB 3.1Å; P2588-E2590 PolarHBondContact O-N 3Å; E2590-R2593 PolarHBondContact O-N 3.05Å; E2590-R2593 WeakPolarHBondContact OE2-CD 3.33Å; E2590-R2593 IonicContact OE2-CZ 2.96Å; E2590-R2593 VanDerWaalsContact OE2-CZ 3.26Å; E2590-R2593 IonicContact OE2-NE 3Å; E2590-R2593 PolarHBondContact OE2-NE 3.28Å; E2590-R2593 IonicContact OE2-NH2 3.13Å; E2590-R2593 PolarHBondContact OE2-NH2 2.88Å; E2590-H2594 PolarHBondContact O-N 3.08Å; E2590-H2594 VanDerWaalsContact O-N 3.09Å; E2590-H2594 PolarHBondContact O-ND1 3.17Å; E2590-H2594 IonicContact OE2-CE1 3.4Å; E2590-H2594 PolarHBondContact OE2-CE1 2.95Å; E2590-H2594 IonicContact OE2-ND1 3.41Å |
| 2591 | F | 94.5 | Very high | 87.9 | Confident | 3.4 Ų | 3.4 | 62.6 Ų | 62.6 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 173 | 179.7 | -91.8 | 0 | 0 | 0 | 110.9 | M2467 I2471 V2567 H2570 I2574 P2588 V2589 R2593 H2594 F2595 F2613 L2617 | M2467-F2591 HydrophobicContact CE-CE1 4.33Å; M2467-F2591 HydrophobicContact SD-CD1 4.43Å; M2467-F2591 HydrophobicContact SD-CE1 4.04Å; I2471-F2591 HydrophobicContact CD1-CD1 4.47Å; I2471-F2591 HydrophobicContact CD1-CE1 4.16Å; I2471-F2591 HydrophobicContact CD1-CZ 4.44Å; V2567-F2591 HydrophobicContact CG1-CE2 4.27Å; H2570-F2591 HydrophobicContact CB-CB 4.08Å; H2570-F2591 HydrophobicContact CB-CD2 4.04Å; I2574-F2591 HydrophobicContact CD1-CB 3.75Å; I2574-F2591 HydrophobicContact CD1-CD1 4.32Å; I2574-F2591 HydrophobicContact CD1-CD2 3.83Å; I2574-F2591 HydrophobicContact CD1-CG 3.7Å; P2588-F2591 HydrophobicContact CB-CB 4.16Å; P2588-F2591 WeakPolarHBondContact O-CB 3.32Å; P2588-F2591 PolarHBondContact O-N 3.01Å; P2588-F2591 VanDerWaalsContact O-N 3.13Å; V2589-F2591 VanDerWaalsContact C-N 3.3Å; V2589-F2591 PolarHBondContact O-N 3.19Å; F2591-R2593 VanDerWaalsContact C-N 3.26Å; F2591-R2593 PolarHBondContact O-N 3.18Å; F2591-H2594 PolarHBondContact O-N 2.9Å; F2591-F2595 HydrophobicContact CD1-CB 4.28Å; F2591-F2595 HydrophobicContact CE1-CB 3.96Å; F2591-F2595 HydrophobicContact CE1-CD2 4.24Å; F2591-F2595 AromaticContact CE1-CG 3.99Å; F2591-F2595 HydrophobicContact CE1-CG 4.02Å; F2591-F2595 HydrophobicContact CE2-CB 4.4Å; F2591-F2595 HydrophobicContact CE2-CD2 4.11Å; F2591-F2595 HydrophobicContact CE2-CG 4.48Å; F2591-F2595 HydrophobicContact CZ-CB 4.02Å; F2591-F2595 AromaticContact CZ-CD2 3.61Å; F2591-F2595 HydrophobicContact CZ-CD2 3.61Å; F2591-F2595 HydrophobicContact CZ-CE2 4.29Å; F2591-F2595 AromaticContact CZ-CG 3.86Å; F2591-F2595 HydrophobicContact CZ-CG 3.86Å; F2591-F2595 VanDerWaalsContact O-CB 3.26Å; F2591-F2595 WeakPolarHBondContact O-CB 3.31Å; F2591-F2595 PolarHBondContact O-N 2.93Å; F2591-F2613 HydrophobicContact CE1-CE2 4.07Å; F2591-F2613 AromaticContact CE1-CZ 3.99Å; F2591-F2613 HydrophobicContact CE1-CZ 3.99Å; F2591-F2613 HydrophobicContact CZ-CE2 4.12Å; F2591-F2613 AromaticContact CZ-CZ 3.98Å; F2591-F2613 HydrophobicContact CZ-CZ 3.98Å; F2591-L2617 HydrophobicContact CE2-CD1 4.25Å; F2591-L2617 HydrophobicContact CZ-CD1 4.1Å |
| 2592 | W | 93.2 | Very high | 87.9 | Confident | 25.4 Ų | 25.4 | 62.5 Ų | 62.5 | 10% | 0.096 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.9 | -31.5 | 174.2 | -57.9 | -32.3 | 0 | 0 | 0 | 113.1 | K2459 T2464 P2588 V2589 V2604 | K2459-W2592 HydrophobicContact CB-CH2 4.39Å; K2459-W2592 VanDerWaalsContact O-CZ2 3.31Å; K2459-W2592 WeakPolarHBondContact O-CZ2 3.36Å; T2464-W2592 HydrophobicContact CG2-CD2 4.46Å; T2464-W2592 HydrophobicContact CG2-CZ2 4.14Å; T2464-W2592 WeakPolarHBondContact OG1-CZ2 3.37Å; P2588-W2592 HydrophobicContact CG-CH2 4.47Å; P2588-W2592 HydrophobicContact CG-CZ2 3.7Å; P2588-W2592 PolarHBondContact O-N 3.19Å; P2588-W2592 VanDerWaalsContact O-N 3.12Å; V2589-W2592 HydrophobicContact CG2-CE3 4.37Å; V2589-W2592 HydrophobicContact CG2-CZ3 4.17Å; V2589-W2592 PolarHBondContact O-N 3.26Å; W2592-V2604 HydrophobicContact CB-CG1 3.68Å; W2592-V2604 HydrophobicContact CD2-CG1 3.83Å; W2592-V2604 HydrophobicContact CE3-CG1 3.95Å; W2592-V2604 HydrophobicContact CG-CG1 3.74Å |
| 2593 | R | 89.8 | Confident | 88.3 | Confident | 138.8 Ų | 138.8 | 63.3 Ų | 63.3 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.6 | -32.9 | 178.2 | -172.5 | 173.9 | 117.1 | 119.4 | -3.4 | 113.3 | N2326 M2336 S2423 D2501 V2589 E2590 F2591 | N2326-R2593 PolarHBondContact OD1-NE 3.4Å; N2326-R2593 PolarHBondContact OD1-NH2 2.73Å; M2336-R2593 PolarHBondContact SD-NH1 2.91Å; S2423-R2593 PolarHBondContact OG-NH1 3.43Å; S2423-R2593 PolarHBondContact OG-NH2 3.43Å; D2501-R2593 IonicContact OD1-NH2 3.56Å; D2501-R2593 PolarHBondContact OD1-NH2 2.91Å; V2589-R2593 PolarHBondContact O-N 3.13Å; V2589-R2593 VanDerWaalsContact O-N 3.09Å; E2590-R2593 PolarHBondContact O-N 3.05Å; E2590-R2593 WeakPolarHBondContact OE2-CD 3.33Å; E2590-R2593 IonicContact OE2-CZ 2.96Å; E2590-R2593 VanDerWaalsContact OE2-CZ 3.26Å; E2590-R2593 IonicContact OE2-NE 3Å; E2590-R2593 PolarHBondContact OE2-NE 3.28Å; E2590-R2593 IonicContact OE2-NH2 3.13Å; E2590-R2593 PolarHBondContact OE2-NH2 2.88Å; F2591-R2593 VanDerWaalsContact C-N 3.26Å; F2591-R2593 PolarHBondContact O-N 3.18Å |
| 2594 | H | 88.7 | Confident | 88.7 | Confident | 45 Ų | 45 | 63.8 Ų | 63.8 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -109 | -23.6 | -172.2 | -62 | 91.3 | 0 | 0 | 0 | 114.6 | H2563 H2570 E2590 F2591 | H2563-H2594 PolarHBondContact CE1-O 3.2Å; H2563-H2594 PolarHBondContact ND1-O 3.02Å; H2570-H2594 AromaticContact CD2-CG 3.79Å; H2570-H2594 AromaticContact CD2-ND1 3.65Å; H2570-H2594 PolarHBondContact CD2-ND1 3.45Å; H2570-H2594 AromaticContact CE1-CE1 3.9Å; H2570-H2594 AromaticContact CE1-ND1 3.7Å; H2570-H2594 AromaticContact NE2-CD2 3.92Å; H2570-H2594 AromaticContact NE2-CE1 3.47Å; H2570-H2594 PolarHBondContact NE2-CE1 2.95Å; H2570-H2594 AromaticContact NE2-CG 3.48Å; H2570-H2594 AromaticContact NE2-ND1 3.09Å; H2570-H2594 PolarHBondContact NE2-ND1 3.12Å; H2570-H2594 VanDerWaalsContact NE2-ND1 3.17Å; H2570-H2594 AromaticContact NE2-NE2 3.96Å; E2590-H2594 PolarHBondContact O-N 3.08Å; E2590-H2594 VanDerWaalsContact O-N 3.09Å; E2590-H2594 PolarHBondContact O-ND1 3.17Å; E2590-H2594 IonicContact OE2-CE1 3.4Å; E2590-H2594 PolarHBondContact OE2-CE1 2.95Å; E2590-H2594 IonicContact OE2-ND1 3.41Å; F2591-H2594 PolarHBondContact O-N 2.9Å |
| 2595 | F | 93.1 | Very high | 88.9 | Confident | 1.4 Ų | 1.4 | 69.2 Ų | 69.2 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | trans | -69.8 | 137 | 174.3 | -172.5 | -92.9 | 0 | 0 | 0 | 110.4 | M2467 V2567 F2591 F2597 V2602 F2613 I2616 L2617 | M2467-F2595 HydrophobicContact CE-CD1 3.79Å; M2467-F2595 HydrophobicContact CE-CE1 4.23Å; V2567-F2595 HydrophobicContact CG1-CD2 4.12Å; V2567-F2595 HydrophobicContact CG1-CE2 4.46Å; V2567-F2595 HydrophobicContact CG2-CD2 3.95Å; F2591-F2595 HydrophobicContact CD1-CB 4.28Å; F2591-F2595 HydrophobicContact CE1-CB 3.96Å; F2591-F2595 HydrophobicContact CE1-CD2 4.24Å; F2591-F2595 AromaticContact CE1-CG 3.99Å; F2591-F2595 HydrophobicContact CE1-CG 4.02Å; F2591-F2595 HydrophobicContact CE2-CB 4.4Å; F2591-F2595 HydrophobicContact CE2-CD2 4.11Å; F2591-F2595 HydrophobicContact CE2-CG 4.48Å; F2591-F2595 HydrophobicContact CZ-CB 4.02Å; F2591-F2595 AromaticContact CZ-CD2 3.61Å; F2591-F2595 HydrophobicContact CZ-CD2 3.61Å; F2591-F2595 HydrophobicContact CZ-CE2 4.29Å; F2591-F2595 AromaticContact CZ-CG 3.86Å; F2591-F2595 HydrophobicContact CZ-CG 3.86Å; F2591-F2595 VanDerWaalsContact O-CB 3.26Å; F2591-F2595 WeakPolarHBondContact O-CB 3.31Å; F2591-F2595 PolarHBondContact O-N 2.93Å; F2595-F2597 HydrophobicContact CD1-CD2 4.38Å; F2595-F2597 HydrophobicContact CD1-CE2 4.47Å; F2595-F2597 AromaticContact CE1-CD2 3.92Å; F2595-F2597 HydrophobicContact CE1-CD2 4.16Å; F2595-F2597 AromaticContact CE1-CE2 3.88Å; F2595-F2597 HydrophobicContact CE1-CE2 3.88Å; F2595-F2597 HydrophobicContact CE1-CG 4.44Å; F2595-F2597 HydrophobicContact CE1-CZ 4.41Å; F2595-V2602 HydrophobicContact CB-CG2 4.3Å; F2595-V2602 HydrophobicContact CD1-CG2 3.79Å; F2595-V2602 HydrophobicContact CE1-CG2 4.43Å; F2595-V2602 HydrophobicContact CG-CG2 4.48Å; F2595-V2602 VanDerWaalsContact O-CG2 3.31Å; F2595-V2602 WeakPolarHBondContact O-CG2 3.42Å; F2595-F2613 HydrophobicContact CD1-CD2 4.45Å; F2595-F2613 HydrophobicContact CD1-CE2 4.11Å; F2595-F2613 HydrophobicContact CD2-CE2 4.44Å; F2595-F2613 AromaticContact CE1-CD2 3.63Å; F2595-F2613 HydrophobicContact CE1-CD2 3.63Å; F2595-F2613 AromaticContact CE1-CE2 3.61Å; F2595-F2613 HydrophobicContact CE1-CE2 3.61Å; F2595-F2613 AromaticContact CE2-CE2 3.99Å; F2595-F2613 HydrophobicContact CE2-CE2 4.04Å; F2595-F2613 HydrophobicContact CG-CE2 4.46Å; F2595-F2613 AromaticContact CZ-CD2 3.67Å; F2595-F2613 HydrophobicContact CZ-CD2 3.67Å; F2595-F2613 AromaticContact CZ-CE2 3.58Å; F2595-F2613 HydrophobicContact CZ-CE2 3.58Å; F2595-I2616 HydrophobicContact CE2-CG2 4.38Å; F2595-I2616 HydrophobicContact CZ-CB 4.42Å; F2595-I2616 HydrophobicContact CZ-CG2 3.83Å; F2595-L2617 HydrophobicContact CE2-CB 4.31Å; F2595-L2617 HydrophobicContact CE2-CD1 4.14Å; F2595-L2617 HydrophobicContact CZ-CB 4.48Å | ||
| 2596 | K | 89.7 | Confident | 88.9 | Confident | 88.4 Ų | 88.4 | 70.2 Ų | 70.2 | 38% | 0.384 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.3 | -176.6 | -67.4 | -173.5 | 174.7 | -167.2 | 0 | 110.8 | D2522 E2600 | D2522-K2596 IonicContact OD1-NZ 3.48Å; D2522-K2596 PolarHBondContact OD1-NZ 3.11Å; K2596-E2600 CarbonylContact C-O 3.52Å; K2596-E2600 WeakPolarHBondContact CA-O 3.35Å; K2596-E2600 VanDerWaalsContact CB-O 3.3Å; K2596-E2600 WeakPolarHBondContact CB-O 3.29Å |
| 2597 | F | 83 | Confident | 88.8 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 111.7 | 173.1 | -128 | -92.5 | 0 | 0 | 0 | 108.2 | Y2466 M2467 F2595 A2599 E2600 V2602 H2608 E2612 F2613 I2616 | Y2466-F2597 HydrophobicContact CD2-CZ 4.49Å; Y2466-F2597 AromaticContact CE2-CE2 3.79Å; Y2466-F2597 HydrophobicContact CE2-CE2 3.79Å; Y2466-F2597 AromaticContact CE2-CZ 3.7Å; Y2466-F2597 HydrophobicContact CE2-CZ 3.7Å; Y2466-F2597 WeakPolarHBondContact OH-CE2 3.23Å; M2467-F2597 HydrophobicContact CE-CE2 4.24Å; F2595-F2597 HydrophobicContact CD1-CD2 4.38Å; F2595-F2597 HydrophobicContact CD1-CE2 4.47Å; F2595-F2597 AromaticContact CE1-CD2 3.92Å; F2595-F2597 HydrophobicContact CE1-CD2 4.16Å; F2595-F2597 AromaticContact CE1-CE2 3.88Å; F2595-F2597 HydrophobicContact CE1-CE2 3.88Å; F2595-F2597 HydrophobicContact CE1-CG 4.44Å; F2595-F2597 HydrophobicContact CE1-CZ 4.41Å; F2597-A2599 VanDerWaalsContact C-N 3.25Å; F2597-A2599 PolarHBondContact O-N 3.3Å; F2597-A2599 VanDerWaalsContact O-N 3.13Å; F2597-E2600 PolarHBondContact N-O 3.16Å; F2597-E2600 WeakPolarHBondContact O-CB 3.35Å; F2597-E2600 PolarHBondContact O-N 3.05Å; F2597-V2602 HydrophobicContact CB-CG2 4.31Å; F2597-V2602 HydrophobicContact CD2-CG2 4.04Å; F2597-V2602 HydrophobicContact CE2-CG2 4.45Å; F2597-H2608 HydrophobicContact CE1-CB 4.26Å; F2597-H2608 AromaticContact CE1-ND1 3.84Å; F2597-H2608 HydrophobicContact CE2-CB 4.22Å; F2597-H2608 HydrophobicContact CZ-CB 4.04Å; F2597-H2608 AromaticContact CZ-CG 3.96Å; F2597-H2608 AromaticContact CZ-ND1 3.89Å; F2597-E2612 HydrophobicContact CD1-CG 4.34Å; F2597-E2612 HydrophobicContact CE1-CB 4.45Å; F2597-E2612 HydrophobicContact CE1-CG 4Å; F2597-E2612 WeakPolarHBondContact CE1-OE1 3.29Å; F2597-E2612 WeakPolarHBondContact CE1-OE2 3.36Å; F2597-E2612 HydrophobicContact CE2-CG 4.25Å; F2597-E2612 HydrophobicContact CZ-CB 3.97Å; F2597-E2612 HydrophobicContact CZ-CG 3.46Å; F2597-E2612 VanDerWaalsContact CZ-CG 3.46Å; F2597-E2612 VanDerWaalsContact CZ-OE2 3.3Å; F2597-E2612 WeakPolarHBondContact CZ-OE2 3.35Å; F2597-F2613 HydrophobicContact CE1-CB 4.41Å; F2597-F2613 HydrophobicContact CE2-CB 4.48Å; F2597-F2613 HydrophobicContact CE2-CD2 4.27Å; F2597-F2613 HydrophobicContact CZ-CB 3.9Å; F2597-F2613 AromaticContact CZ-CD2 3.99Å; F2597-F2613 HydrophobicContact CZ-CD2 3.99Å; F2597-F2613 HydrophobicContact CZ-CG 4.43Å; F2597-I2616 HydrophobicContact CD1-CD1 4.22Å; F2597-I2616 HydrophobicContact CD2-CD1 4.1Å; F2597-I2616 HydrophobicContact CE1-CD1 4.24Å; F2597-I2616 HydrophobicContact CE2-CD1 4Å; F2597-I2616 HydrophobicContact CG-CD1 4.33Å; F2597-I2616 HydrophobicContact CZ-CD1 4.13Å |
| 2598 | R | 77.5 | Confident | 88.7 | Confident | 195 Ų | 195 | 71.4 Ų | 71.4 | 74% | 0.736 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 42.6 | 179.3 | -52.6 | -177.7 | -176.1 | -163.3 | 2.9 | 113.7 | E2600 E2612 I2616 | R2598-E2600 VanDerWaalsContact C-N 3.32Å; R2598-E2600 PolarHBondContact O-N 3.36Å; R2598-E2612 IonicContact CZ-OE1 3.31Å; R2598-E2612 IonicContact NE-OE1 3.44Å; R2598-E2612 PolarHBondContact NE-OE1 3.23Å; R2598-E2612 IonicContact NH2-OE1 2.71Å; R2598-E2612 PolarHBondContact NH2-OE1 3.12Å; R2598-E2612 IonicContact NH2-OE2 2.99Å; R2598-I2616 HydrophobicContact CG-CD1 4.45Å |
| 2599 | A | 78 | Confident | 88.8 | Confident | 83.8 Ų | 83.8 | 73.8 Ų | 73.8 | 69% | 0.693 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | -6.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | F2597 | F2597-A2599 VanDerWaalsContact C-N 3.25Å; F2597-A2599 PolarHBondContact O-N 3.3Å; F2597-A2599 VanDerWaalsContact O-N 3.13Å |
| 2600 | E | 84.2 | Confident | 89 | Confident | 148.8 Ų | 148.8 | 70.5 Ų | 70.5 | 70% | 0.695 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 148 | 172.6 | -61.8 | -178 | 170.7 | 0 | 0 | 111.6 | K2596 F2597 R2598 | K2596-E2600 CarbonylContact C-O 3.52Å; K2596-E2600 WeakPolarHBondContact CA-O 3.35Å; K2596-E2600 VanDerWaalsContact CB-O 3.3Å; K2596-E2600 WeakPolarHBondContact CB-O 3.29Å; F2597-E2600 PolarHBondContact N-O 3.16Å; F2597-E2600 WeakPolarHBondContact O-CB 3.35Å; F2597-E2600 PolarHBondContact O-N 3.05Å; R2598-E2600 VanDerWaalsContact C-N 3.32Å; R2598-E2600 PolarHBondContact O-N 3.36Å |
| 2601 | A | 85.7 | Confident | 89.3 | Confident | 60.6 Ų | 60.6 | 67.4 Ų | 67.4 | 50% | 0.501 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 142.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H2603 | A2601-H2603 PolarHBondContact O-N 2.96Å |
| 2602 | V | 87 | Confident | 89.4 | Confident | 15.6 Ų | 15.6 | 69.3 Ų | 69.3 | 10% | 0.095 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 120.7 | -176.9 | 172.4 | 0 | 0 | 0 | 0 | 112.5 | M2467 F2595 F2597 V2604 | M2467-V2602 HydrophobicContact CE-CB 4.32Å; M2467-V2602 HydrophobicContact CE-CG1 3.8Å; M2467-V2602 HydrophobicContact CE-CG2 3.81Å; F2595-V2602 HydrophobicContact CB-CG2 4.3Å; F2595-V2602 HydrophobicContact CD1-CG2 3.79Å; F2595-V2602 HydrophobicContact CE1-CG2 4.43Å; F2595-V2602 HydrophobicContact CG-CG2 4.48Å; F2595-V2602 VanDerWaalsContact O-CG2 3.31Å; F2595-V2602 WeakPolarHBondContact O-CG2 3.42Å; F2597-V2602 HydrophobicContact CB-CG2 4.31Å; F2597-V2602 HydrophobicContact CD2-CG2 4.04Å; F2597-V2602 HydrophobicContact CE2-CG2 4.45Å; V2602-V2604 HydrophobicContact CG1-CG1 4.39Å; V2602-V2604 PolarHBondContact O-N 3.02Å |
| 2603 | H | 88.7 | Confident | 89.5 | Confident | 125.8 Ų | 125.8 | 68.1 Ų | 68.1 | 58% | 0.582 | 32% | 0.324 | S | S | * | . | trans | -81.4 | 105.3 | 165 | -65.4 | -49 | 0 | 0 | 0 | 110.4 | A2601 R2605 E2606 | A2601-H2603 PolarHBondContact O-N 2.96Å; H2603-R2605 PolarHBondContact O-N 3.01Å; H2603-E2606 HydrophobicContact CB-CB 4.03Å; H2603-E2606 IonicContact CD2-OE2 2.8Å; H2603-E2606 IonicContact CG-OE2 2.67Å; H2603-E2606 IonicContact ND1-OE2 2.76Å; H2603-E2606 PolarHBondContact ND1-OE2 2.97Å; H2603-E2606 WeakPolarHBondContact O-CB 3.31Å; H2603-E2606 PolarHBondContact O-N 3.09Å | ||
| 2604 | V | 90.3 | Very high | 89.9 | Confident | 43.6 Ų | 43.6 | 61.7 Ų | 61.7 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -5.3 | -176.2 | -60.4 | 0 | 0 | 0 | 0 | 116.2 | G2461 A2463 T2464 W2592 V2602 | G2461-V2604 CarbonylContact C-O 3.52Å; A2463-V2604 PolarHBondContact N-O 3.03Å; T2464-V2604 HydrophobicContact CG2-CB 3.82Å; T2464-V2604 HydrophobicContact CG2-CG1 4.08Å; W2592-V2604 HydrophobicContact CB-CG1 3.68Å; W2592-V2604 HydrophobicContact CD2-CG1 3.83Å; W2592-V2604 HydrophobicContact CE3-CG1 3.95Å; W2592-V2604 HydrophobicContact CG-CG1 3.74Å; V2602-V2604 HydrophobicContact CG1-CG1 4.39Å; V2602-V2604 PolarHBondContact O-N 3.02Å |
| 2605 | R | 91 | Very high | 90.2 | Very high | 188.6 Ų | 188.6 | 63 Ų | 63 | 71% | 0.712 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -3.3 | 174.7 | -62.2 | -175.2 | -178.8 | -174 | 0.9 | 113.2 | D2427 D2430 A2463 H2603 Y3232 | D2427-R2605 IonicContact OD1-NH2 3.49Å; D2427-R2605 PolarHBondContact OD1-NH2 3.46Å; D2430-R2605 IonicContact OD2-CZ 3.16Å; D2430-R2605 VanDerWaalsContact OD2-CZ 3.23Å; D2430-R2605 IonicContact OD2-NH1 3.82Å; D2430-R2605 PolarHBondContact OD2-NH1 2.87Å; D2430-R2605 IonicContact OD2-NH2 2.86Å; D2430-R2605 PolarHBondContact OD2-NH2 2.95Å; A2463-R2605 VanDerWaalsContact CB-C 3.47Å; A2463-R2605 WeakPolarHBondContact CB-O 3.44Å; H2603-R2605 PolarHBondContact O-N 3.01Å; R2605-Y3232 PolarHBondContact NH2-OH 3.24Å |
| 2606 | E | 90.4 | Very high | 90.3 | Very high | 95.4 Ų | 95.4 | 64.5 Ų | 64.5 | 45% | 0.446 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -99.4 | 139.9 | 178.7 | -169 | 168.4 | -179.3 | 0 | 0 | 110.9 | A2463 H2603 H2608 | A2463-E2606 VanDerWaalsContact CB-C 3.46Å; A2463-E2606 VanDerWaalsContact CB-O 3.29Å; A2463-E2606 WeakPolarHBondContact CB-O 3.29Å; H2603-E2606 HydrophobicContact CB-CB 4.03Å; H2603-E2606 IonicContact CD2-OE2 2.8Å; H2603-E2606 IonicContact CG-OE2 2.67Å; H2603-E2606 IonicContact ND1-OE2 2.76Å; H2603-E2606 PolarHBondContact ND1-OE2 2.97Å; H2603-E2606 WeakPolarHBondContact O-CB 3.31Å; H2603-E2606 PolarHBondContact O-N 3.09Å; E2606-H2608 IonicContact OE1-CE1 3.26Å |
| 2607 | Q | 91 | Very high | 90.7 | Very high | 41.2 Ų | 41.2 | 60.3 Ų | 60.3 | 19% | 0.193 | 30% | 0.296 | C | S | . | . | trans | -97.7 | 129.4 | -178.7 | -177.5 | 77.4 | -44.3 | 0 | 0 | 109.3 | A2463 C2465 G2806 | A2463-Q2607 HydrophobicContact CB-CB 4.28Å; A2463-Q2607 PolarHBondContact O-OE1 3.04Å; C2465-Q2607 PolarHBondContact SG-NE2 2.69Å; C2465-Q2607 PolarHBondContact SG-OE1 2.93Å; C2465-Q2607 VanDerWaalsContact SG-OE1 3.36Å; Q2607-G2806 PolarHBondContact NE2-O 3Å | ||
| 2608 | H | 93 | Very high | 91.3 | Very high | 38.4 Ų | 38.4 | 59.7 Ų | 59.7 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | trans | -119.5 | 171.4 | 175.1 | -61.6 | -98.4 | 0 | 0 | 0 | 111.2 | Y2466 F2597 E2606 A2610 | Y2466-H2608 WeakPolarHBondContact CB-O 3.2Å; Y2466-H2608 HydrophobicContact CD1-CB 4.38Å; Y2466-H2608 HydrophobicContact CD2-CB 4.28Å; Y2466-H2608 HydrophobicContact CE1-CB 4.02Å; Y2466-H2608 AromaticContact CE1-CD2 3.89Å; Y2466-H2608 HydrophobicContact CE2-CB 3.92Å; Y2466-H2608 HydrophobicContact CG-CB 4.49Å; Y2466-H2608 AromaticContact CZ-CD2 3.67Å; Y2466-H2608 PolarHBondContact OH-CD2 2.98Å; Y2466-H2608 VanDerWaalsContact OH-CD2 3.25Å; F2597-H2608 HydrophobicContact CE1-CB 4.26Å; F2597-H2608 AromaticContact CE1-ND1 3.84Å; F2597-H2608 HydrophobicContact CE2-CB 4.22Å; F2597-H2608 HydrophobicContact CZ-CB 4.04Å; F2597-H2608 AromaticContact CZ-CG 3.96Å; F2597-H2608 AromaticContact CZ-ND1 3.89Å; E2606-H2608 IonicContact OE1-CE1 3.26Å; H2608-A2610 PolarHBondContact O-N 3.19Å | ||
| 2609 | D | 94.7 | Very high | 92.2 | Very high | 50.4 Ų | 50.4 | 55.1 Ų | 55.1 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | trans | -70.9 | 128.4 | 171.7 | -174.9 | 0.9 | 0 | 0 | 0 | 110.7 | L2611 E2612 F2613 Y2875 | D2609-L2611 VanDerWaalsContact C-N 3.25Å; D2609-L2611 PolarHBondContact O-N 3.19Å; D2609-L2611 PolarHBondContact OD1-N 3.07Å; D2609-E2612 HydrophobicContact CB-CB 4.16Å; D2609-E2612 PolarHBondContact O-N 3.28Å; D2609-F2613 PolarHBondContact O-N 2.95Å; D2609-F2613 VanDerWaalsContact O-N 3.14Å; D2609-Y2875 WeakPolarHBondContact OD1-CE1 3.37Å; D2609-Y2875 VanDerWaalsContact OD1-CZ 3.28Å; D2609-Y2875 PolarHBondContact OD1-OH 3.05Å; D2609-Y2875 PolarHBondContact OD2-OH 3.19Å | ||
| 2610 | A | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -29 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2470 H2608 F2614 Y2808 Y2875 | I2470-A2610 HydrophobicContact CD1-CB 4.24Å; I2470-A2610 HydrophobicContact CG1-CB 4.09Å; I2470-A2610 WeakPolarHBondContact CG1-O 3.26Å; H2608-A2610 PolarHBondContact O-N 3.19Å; A2610-F2614 VanDerWaalsContact O-CB 3.31Å; A2610-F2614 WeakPolarHBondContact O-CB 3.38Å; A2610-F2614 PolarHBondContact O-N 3.08Å; A2610-Y2808 HydrophobicContact CB-CD1 3.87Å; A2610-Y2808 HydrophobicContact CB-CE1 3.74Å; A2610-Y2808 HydrophobicContact CB-CE2 4.47Å; A2610-Y2808 HydrophobicContact CB-CG 4.3Å; A2610-Y2875 HydrophobicContact CB-CD1 4.5Å; A2610-Y2875 HydrophobicContact CB-CE1 4.33Å |
| 2611 | L | 96.4 | Very high | 93.7 | Very high | 8.6 Ų | 8.6 | 44.7 Ų | 44.7 | 5% | 0.045 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.2 | -44.5 | 175.7 | 178.4 | 61.2 | 0 | 0 | 0 | 111.8 | D2609 F2613 F2614 Q2615 T2663 Q2720 Y2875 L2876 | D2609-L2611 VanDerWaalsContact C-N 3.25Å; D2609-L2611 PolarHBondContact O-N 3.19Å; D2609-L2611 PolarHBondContact OD1-N 3.07Å; L2611-F2613 VanDerWaalsContact C-N 3.33Å; L2611-F2613 PolarHBondContact O-N 3.19Å; L2611-F2614 HydrophobicContact CD1-CD1 4.04Å; L2611-F2614 WeakPolarHBondContact O-CB 3.26Å; L2611-F2614 PolarHBondContact O-N 3.18Å; L2611-F2614 VanDerWaalsContact O-N 3.16Å; L2611-Q2615 HydrophobicContact CD1-CG 4.18Å; L2611-Q2615 HydrophobicContact CG-CG 4.47Å; L2611-Q2615 WeakPolarHBondContact O-CG 3.41Å; L2611-Q2615 PolarHBondContact O-N 3.17Å; L2611-T2663 HydrophobicContact CD1-CG2 3.95Å; L2611-T2663 WeakPolarHBondContact CD1-OG1 3.5Å; L2611-Q2720 HydrophobicContact CD2-CB 4.17Å; L2611-Q2720 HydrophobicContact CD2-CG 3.87Å; L2611-Q2720 VanDerWaalsContact CD2-NE2 3.28Å; L2611-Y2875 HydrophobicContact CB-CE1 4.26Å; L2611-Y2875 WeakPolarHBondContact CB-OH 3.23Å; L2611-L2876 HydrophobicContact CB-CD2 4.36Å; L2611-L2876 HydrophobicContact CD1-CD2 4.18Å |
| 2612 | E | 95 | Very high | 94.2 | Very high | 43.4 Ų | 43.4 | 42.3 Ų | 42.3 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 178.1 | -174.5 | 176.2 | -164.5 | 0 | 0 | 110.7 | F2597 R2598 D2609 F2614 Q2615 I2616 | F2597-E2612 HydrophobicContact CD1-CG 4.34Å; F2597-E2612 HydrophobicContact CE1-CB 4.45Å; F2597-E2612 HydrophobicContact CE1-CG 4Å; F2597-E2612 WeakPolarHBondContact CE1-OE1 3.29Å; F2597-E2612 WeakPolarHBondContact CE1-OE2 3.36Å; F2597-E2612 HydrophobicContact CE2-CG 4.25Å; F2597-E2612 HydrophobicContact CZ-CB 3.97Å; F2597-E2612 HydrophobicContact CZ-CG 3.46Å; F2597-E2612 VanDerWaalsContact CZ-CG 3.46Å; F2597-E2612 VanDerWaalsContact CZ-OE2 3.3Å; F2597-E2612 WeakPolarHBondContact CZ-OE2 3.35Å; R2598-E2612 IonicContact CZ-OE1 3.31Å; R2598-E2612 IonicContact NE-OE1 3.44Å; R2598-E2612 PolarHBondContact NE-OE1 3.23Å; R2598-E2612 IonicContact NH2-OE1 2.71Å; R2598-E2612 PolarHBondContact NH2-OE1 3.12Å; R2598-E2612 IonicContact NH2-OE2 2.99Å; D2609-E2612 HydrophobicContact CB-CB 4.16Å; D2609-E2612 PolarHBondContact O-N 3.28Å; E2612-F2614 VanDerWaalsContact C-N 3.34Å; E2612-F2614 PolarHBondContact O-N 3.22Å; E2612-Q2615 PolarHBondContact O-N 3.02Å; E2612-I2616 HydrophobicContact CG-CD1 3.85Å; E2612-I2616 HydrophobicContact CG-CG1 4.46Å; E2612-I2616 WeakPolarHBondContact O-CG1 3.43Å; E2612-I2616 PolarHBondContact O-N 3.17Å |
| 2613 | F | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -44.4 | 172.4 | 176 | -103.1 | 0 | 0 | 0 | 112.6 | Y2466 M2467 I2470 I2471 F2591 F2595 F2597 D2609 L2611 Q2615 L2617 | Y2466-F2613 HydrophobicContact CD2-CB 3.73Å; Y2466-F2613 HydrophobicContact CD2-CD1 4.45Å; Y2466-F2613 HydrophobicContact CD2-CD2 4.45Å; Y2466-F2613 AromaticContact CD2-CG 3.95Å; Y2466-F2613 HydrophobicContact CD2-CG 3.95Å; Y2466-F2613 HydrophobicContact CE2-CB 3.92Å; Y2466-F2613 AromaticContact CE2-CD2 3.98Å; Y2466-F2613 HydrophobicContact CE2-CD2 4.04Å; Y2466-F2613 AromaticContact CE2-CG 3.97Å; Y2466-F2613 HydrophobicContact CE2-CG 3.99Å; M2467-F2613 VanDerWaalsContact CA-CE1 3.5Å; M2467-F2613 HydrophobicContact CB-CD1 4.39Å; M2467-F2613 HydrophobicContact CB-CE1 3.89Å; M2467-F2613 HydrophobicContact CB-CE2 4.24Å; M2467-F2613 HydrophobicContact CB-CZ 3.78Å; M2467-F2613 HydrophobicContact CE-CD2 4.07Å; M2467-F2613 HydrophobicContact CE-CE2 3.75Å; M2467-F2613 HydrophobicContact CG-CD1 4.37Å; M2467-F2613 HydrophobicContact CG-CD2 3.94Å; M2467-F2613 HydrophobicContact CG-CE1 4.13Å; M2467-F2613 HydrophobicContact CG-CE2 3.67Å; M2467-F2613 HydrophobicContact CG-CG 4.27Å; M2467-F2613 HydrophobicContact CG-CZ 3.75Å; M2467-F2613 HydrophobicContact SD-CE2 4.12Å; M2467-F2613 HydrophobicContact SD-CZ 4.41Å; I2470-F2613 HydrophobicContact CB-CD1 3.9Å; I2470-F2613 HydrophobicContact CB-CE1 3.99Å; I2470-F2613 HydrophobicContact CG1-CD1 4.11Å; I2470-F2613 HydrophobicContact CG2-CD1 3.99Å; I2470-F2613 HydrophobicContact CG2-CE1 3.99Å; I2471-F2613 HydrophobicContact CD1-CE1 4.44Å; I2471-F2613 HydrophobicContact CD1-CZ 4.14Å; I2471-F2613 HydrophobicContact CG1-CE1 4.1Å; I2471-F2613 HydrophobicContact CG1-CZ 4.19Å; F2591-F2613 HydrophobicContact CE1-CE2 4.07Å; F2591-F2613 AromaticContact CE1-CZ 3.99Å; F2591-F2613 HydrophobicContact CE1-CZ 3.99Å; F2591-F2613 HydrophobicContact CZ-CE2 4.12Å; F2591-F2613 AromaticContact CZ-CZ 3.98Å; F2591-F2613 HydrophobicContact CZ-CZ 3.98Å; F2595-F2613 HydrophobicContact CD1-CD2 4.45Å; F2595-F2613 HydrophobicContact CD1-CE2 4.11Å; F2595-F2613 HydrophobicContact CD2-CE2 4.44Å; F2595-F2613 AromaticContact CE1-CD2 3.63Å; F2595-F2613 HydrophobicContact CE1-CD2 3.63Å; F2595-F2613 AromaticContact CE1-CE2 3.61Å; F2595-F2613 HydrophobicContact CE1-CE2 3.61Å; F2595-F2613 AromaticContact CE2-CE2 3.99Å; F2595-F2613 HydrophobicContact CE2-CE2 4.04Å; F2595-F2613 HydrophobicContact CG-CE2 4.46Å; F2595-F2613 AromaticContact CZ-CD2 3.67Å; F2595-F2613 HydrophobicContact CZ-CD2 3.67Å; F2595-F2613 AromaticContact CZ-CE2 3.58Å; F2595-F2613 HydrophobicContact CZ-CE2 3.58Å; F2597-F2613 HydrophobicContact CE1-CB 4.41Å; F2597-F2613 HydrophobicContact CE2-CB 4.48Å; F2597-F2613 HydrophobicContact CE2-CD2 4.27Å; F2597-F2613 HydrophobicContact CZ-CB 3.9Å; F2597-F2613 AromaticContact CZ-CD2 3.99Å; F2597-F2613 HydrophobicContact CZ-CD2 3.99Å; F2597-F2613 HydrophobicContact CZ-CG 4.43Å; D2609-F2613 PolarHBondContact O-N 2.95Å; D2609-F2613 VanDerWaalsContact O-N 3.14Å; L2611-F2613 VanDerWaalsContact C-N 3.33Å; L2611-F2613 PolarHBondContact O-N 3.19Å; F2613-Q2615 VanDerWaalsContact C-N 3.35Å; F2613-Q2615 PolarHBondContact O-N 3.03Å; F2613-L2617 HydrophobicContact CD1-CD2 4.48Å; F2613-L2617 HydrophobicContact CE1-CB 4.5Å; F2613-L2617 HydrophobicContact CE1-CD2 3.63Å; F2613-L2617 HydrophobicContact CE2-CB 4.48Å; F2613-L2617 HydrophobicContact CE2-CD2 4.45Å; F2613-L2617 HydrophobicContact CZ-CB 4.38Å; F2613-L2617 HydrophobicContact CZ-CD2 3.61Å; F2613-L2617 HydrophobicContact CZ-CG 4.46Å; F2613-L2617 WeakPolarHBondContact O-CB 3.27Å; F2613-L2617 PolarHBondContact O-N 3.11Å |
| 2614 | F | 97.3 | Very high | 95 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 177.4 | 169.4 | -104.6 | 0 | 0 | 0 | 112.7 | I2470 L2474 A2610 L2611 E2612 G2618 L2638 T2663 T2718 F2878 | I2470-F2614 HydrophobicContact CD1-CB 4.05Å; I2470-F2614 HydrophobicContact CG1-CB 4.25Å; I2470-F2614 HydrophobicContact CG2-CB 3.92Å; I2470-F2614 HydrophobicContact CG2-CD2 3.83Å; I2470-F2614 HydrophobicContact CG2-CG 4.37Å; L2474-F2614 HydrophobicContact CD2-CD2 4.47Å; L2474-F2614 HydrophobicContact CD2-CE2 3.99Å; A2610-F2614 VanDerWaalsContact O-CB 3.31Å; A2610-F2614 WeakPolarHBondContact O-CB 3.38Å; A2610-F2614 PolarHBondContact O-N 3.08Å; L2611-F2614 HydrophobicContact CD1-CD1 4.04Å; L2611-F2614 WeakPolarHBondContact O-CB 3.26Å; L2611-F2614 PolarHBondContact O-N 3.18Å; L2611-F2614 VanDerWaalsContact O-N 3.16Å; E2612-F2614 VanDerWaalsContact C-N 3.34Å; E2612-F2614 PolarHBondContact O-N 3.22Å; F2614-G2618 PolarHBondContact O-N 3.12Å; F2614-L2638 HydrophobicContact CE2-CD1 4.2Å; F2614-L2638 HydrophobicContact CZ-CD1 4.07Å; F2614-L2638 HydrophobicContact CZ-CD2 4.39Å; F2614-T2663 WeakPolarHBondContact CE1-OG1 3.37Å; F2614-T2718 HydrophobicContact CE1-CG2 4.17Å; F2614-T2718 HydrophobicContact CZ-CG2 4.27Å; F2614-F2878 HydrophobicContact CE2-CE1 4.13Å; F2614-F2878 HydrophobicContact CE2-CZ 4.25Å; F2614-F2878 HydrophobicContact CZ-CE1 4.32Å; F2614-F2878 HydrophobicContact CZ-CZ 4.39Å |
| 2615 | Q | 95.8 | Very high | 95.3 | Very high | 72.6 Ų | 72.6 | 37 Ų | 37 | 34% | 0.339 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.9 | -46.8 | 179.4 | -71.3 | 174.8 | -20 | 0 | 0 | 112.1 | L2611 E2612 F2613 G2618 N2619 | L2611-Q2615 HydrophobicContact CD1-CG 4.18Å; L2611-Q2615 HydrophobicContact CG-CG 4.47Å; L2611-Q2615 WeakPolarHBondContact O-CG 3.41Å; L2611-Q2615 PolarHBondContact O-N 3.17Å; E2612-Q2615 PolarHBondContact O-N 3.02Å; F2613-Q2615 VanDerWaalsContact C-N 3.35Å; F2613-Q2615 PolarHBondContact O-N 3.03Å; Q2615-G2618 PolarHBondContact O-N 3.11Å; Q2615-N2619 VanDerWaalsContact O-CG 3.3Å; Q2615-N2619 PolarHBondContact O-N 2.97Å; Q2615-N2619 VanDerWaalsContact O-N 3.14Å; Q2615-N2619 PolarHBondContact O-ND2 3.28Å; Q2615-N2619 PolarHBondContact O-OD1 2.9Å |
| 2616 | I | 96 | Very high | 95.4 | Very high | 33.6 Ų | 33.6 | 33 Ų | 33 | 17% | 0.172 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -50.9 | 177.9 | -64.9 | 171.3 | 0 | 0 | 0 | 110.2 | F2595 F2597 R2598 E2612 G2618 N2619 D2620 | F2595-I2616 HydrophobicContact CE2-CG2 4.38Å; F2595-I2616 HydrophobicContact CZ-CB 4.42Å; F2595-I2616 HydrophobicContact CZ-CG2 3.83Å; F2597-I2616 HydrophobicContact CD1-CD1 4.22Å; F2597-I2616 HydrophobicContact CD2-CD1 4.1Å; F2597-I2616 HydrophobicContact CE1-CD1 4.24Å; F2597-I2616 HydrophobicContact CE2-CD1 4Å; F2597-I2616 HydrophobicContact CG-CD1 4.33Å; F2597-I2616 HydrophobicContact CZ-CD1 4.13Å; R2598-I2616 HydrophobicContact CG-CD1 4.45Å; E2612-I2616 HydrophobicContact CG-CD1 3.85Å; E2612-I2616 HydrophobicContact CG-CG1 4.46Å; E2612-I2616 WeakPolarHBondContact O-CG1 3.43Å; E2612-I2616 PolarHBondContact O-N 3.17Å; I2616-G2618 VanDerWaalsContact C-N 3.3Å; I2616-G2618 PolarHBondContact O-N 3.07Å; I2616-N2619 PolarHBondContact O-N 3.2Å; I2616-D2620 WeakPolarHBondContact O-CB 3.39Å; I2616-D2620 PolarHBondContact O-N 3.05Å |
| 2617 | L | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -38.9 | 178.8 | 178.3 | 63.9 | 0 | 0 | 0 | 112.3 | I2471 L2474 V2567 M2571 F2591 F2595 F2613 D2620 L2621 | I2471-L2617 HydrophobicContact CG1-CD2 4.32Å; L2474-L2617 HydrophobicContact CD1-CD2 3.84Å; L2474-L2617 HydrophobicContact CD1-CG 4.49Å; V2567-L2617 HydrophobicContact CG1-CD1 3.8Å; M2571-L2617 HydrophobicContact CE-CD2 3.98Å; F2591-L2617 HydrophobicContact CE2-CD1 4.25Å; F2591-L2617 HydrophobicContact CZ-CD1 4.1Å; F2595-L2617 HydrophobicContact CE2-CB 4.31Å; F2595-L2617 HydrophobicContact CE2-CD1 4.14Å; F2595-L2617 HydrophobicContact CZ-CB 4.48Å; F2613-L2617 HydrophobicContact CD1-CD2 4.48Å; F2613-L2617 HydrophobicContact CE1-CB 4.5Å; F2613-L2617 HydrophobicContact CE1-CD2 3.63Å; F2613-L2617 HydrophobicContact CE2-CB 4.48Å; F2613-L2617 HydrophobicContact CE2-CD2 4.45Å; F2613-L2617 HydrophobicContact CZ-CB 4.38Å; F2613-L2617 HydrophobicContact CZ-CD2 3.61Å; F2613-L2617 HydrophobicContact CZ-CG 4.46Å; F2613-L2617 WeakPolarHBondContact O-CB 3.27Å; F2613-L2617 PolarHBondContact O-N 3.11Å; L2617-D2620 PolarHBondContact O-N 2.56Å; L2617-L2621 HydrophobicContact CD1-CD1 3.79Å; L2617-L2621 HydrophobicContact CD1-CG 3.97Å; L2617-L2621 HydrophobicContact CG-CD1 3.79Å; L2617-L2621 HydrophobicContact CG-CG 4.38Å; L2617-L2621 WeakPolarHBondContact O-CB 3.37Å; L2617-L2621 WeakPolarHBondContact O-CD1 3.37Å; L2617-L2621 WeakPolarHBondContact O-CG 3.28Å; L2617-L2621 PolarHBondContact O-N 3.19Å |
| 2618 | G | 96.5 | Very high | 95.6 | Very high | 4.4 Ų | 4.4 | 29.9 Ų | 29.9 | 5% | 0.045 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F2614 Q2615 I2616 L2621 D2622 | F2614-G2618 PolarHBondContact O-N 3.12Å; Q2615-G2618 PolarHBondContact O-N 3.11Å; I2616-G2618 VanDerWaalsContact C-N 3.3Å; I2616-G2618 PolarHBondContact O-N 3.07Å; G2618-L2621 PolarHBondContact O-N 3.33Å; G2618-D2622 PolarHBondContact O-N 2.99Å; G2618-D2622 VanDerWaalsContact O-N 3.12Å |
| 2619 | N | 95.9 | Very high | 95.5 | Very high | 100 Ų | 100 | 37.4 Ų | 37.4 | 54% | 0.535 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.1 | -48.8 | 177.6 | -64.5 | -11.7 | 0 | 0 | 0 | 111.6 | Q2615 I2616 L2621 D2622 E2623 | Q2615-N2619 VanDerWaalsContact O-CG 3.3Å; Q2615-N2619 PolarHBondContact O-N 2.97Å; Q2615-N2619 VanDerWaalsContact O-N 3.14Å; Q2615-N2619 PolarHBondContact O-ND2 3.28Å; Q2615-N2619 PolarHBondContact O-OD1 2.9Å; I2616-N2619 PolarHBondContact O-N 3.2Å; N2619-L2621 VanDerWaalsContact C-N 3.25Å; N2619-L2621 PolarHBondContact O-N 3.14Å; N2619-D2622 PolarHBondContact O-N 2.89Å; N2619-D2622 VanDerWaalsContact O-N 3.16Å; N2619-E2623 WeakPolarHBondContact O-CG 3.38Å; N2619-E2623 PolarHBondContact O-N 3.12Å |
| 2620 | D | 96 | Very high | 95.4 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.9 | -40.5 | 178.5 | -81.9 | -9.7 | 0 | 0 | 0 | 112 | H2563 H2564 V2567 I2616 L2617 A2624 | H2563-D2620 IonicContact CD2-OD1 3.03Å; H2563-D2620 IonicContact CD2-OD2 3.08Å; H2563-D2620 IonicContact CE1-OD2 3.28Å; H2563-D2620 IonicContact NE2-OD1 3.83Å; H2563-D2620 PolarHBondContact NE2-OD1 2.64Å; H2563-D2620 IonicContact NE2-OD2 3.26Å; H2563-D2620 PolarHBondContact NE2-OD2 3.14Å; H2564-D2620 IonicContact CD2-OD1 3.16Å; H2564-D2620 IonicContact CE1-OD1 3.37Å; H2564-D2620 PolarHBondContact CE1-OD1 3.42Å; H2564-D2620 IonicContact ND1-OD1 2.73Å; H2564-D2620 PolarHBondContact ND1-OD1 3.41Å; H2564-D2620 IonicContact NE2-OD1 2.66Å; V2567-D2620 HydrophobicContact CB-CB 4.41Å; V2567-D2620 HydrophobicContact CG1-CB 4.04Å; I2616-D2620 WeakPolarHBondContact O-CB 3.39Å; I2616-D2620 PolarHBondContact O-N 3.05Å; L2617-D2620 PolarHBondContact O-N 2.56Å; D2620-A2624 VanDerWaalsContact O-CB 3.25Å; D2620-A2624 WeakPolarHBondContact O-CB 3.27Å; D2620-A2624 PolarHBondContact O-N 3.09Å; D2620-A2624 VanDerWaalsContact O-N 3.11Å |
| 2621 | L | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71 | -42.6 | 178.6 | -71.3 | 169.7 | 0 | 0 | 0 | 112.4 | I2484 V2567 L2568 M2571 L2617 G2618 N2619 A2624 L2625 V2634 | I2484-L2621 HydrophobicContact CD1-CD1 3.92Å; I2484-L2621 HydrophobicContact CD1-CD2 4.06Å; I2484-L2621 HydrophobicContact CD1-CG 4.5Å; V2567-L2621 HydrophobicContact CG1-CD2 4.43Å; L2568-L2621 HydrophobicContact CB-CD2 4.36Å; L2568-L2621 HydrophobicContact CD1-CD2 3.94Å; M2571-L2621 HydrophobicContact CB-CD2 3.96Å; M2571-L2621 HydrophobicContact CE-CD1 4.19Å; M2571-L2621 HydrophobicContact CG-CD1 4.31Å; M2571-L2621 HydrophobicContact CG-CD2 3.93Å; L2617-L2621 HydrophobicContact CD1-CD1 3.79Å; L2617-L2621 HydrophobicContact CD1-CG 3.97Å; L2617-L2621 HydrophobicContact CG-CD1 3.79Å; L2617-L2621 HydrophobicContact CG-CG 4.38Å; L2617-L2621 WeakPolarHBondContact O-CB 3.37Å; L2617-L2621 WeakPolarHBondContact O-CD1 3.37Å; L2617-L2621 WeakPolarHBondContact O-CG 3.28Å; L2617-L2621 PolarHBondContact O-N 3.19Å; G2618-L2621 PolarHBondContact O-N 3.33Å; N2619-L2621 VanDerWaalsContact C-N 3.25Å; N2619-L2621 PolarHBondContact O-N 3.14Å; L2621-A2624 PolarHBondContact O-N 3.22Å; L2621-L2625 VanDerWaalsContact O-CB 3.29Å; L2621-L2625 WeakPolarHBondContact O-CB 3.43Å; L2621-L2625 WeakPolarHBondContact O-CD1 3.46Å; L2621-L2625 WeakPolarHBondContact O-CG 3.41Å; L2621-L2625 PolarHBondContact O-N 3.26Å; L2621-V2634 HydrophobicContact CB-CG2 4.4Å |
| 2622 | D | 97.2 | Very high | 95.2 | Very high | 9.8 Ų | 9.8 | 40.1 Ų | 40.1 | 5% | 0.052 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.4 | -38.4 | -179.6 | -87.5 | -2.5 | 0 | 0 | 0 | 112.5 | G2618 N2619 L2625 E2626 K2632 I2633 V2634 E2635 | G2618-D2622 PolarHBondContact O-N 2.99Å; G2618-D2622 VanDerWaalsContact O-N 3.12Å; N2619-D2622 PolarHBondContact O-N 2.89Å; N2619-D2622 VanDerWaalsContact O-N 3.16Å; D2622-L2625 PolarHBondContact O-N 3.25Å; D2622-E2626 WeakPolarHBondContact O-CB 3.36Å; D2622-E2626 PolarHBondContact O-N 3.18Å; D2622-K2632 HydrophobicContact CB-CB 3.84Å; D2622-K2632 HydrophobicContact CB-CD 4.08Å; D2622-K2632 HydrophobicContact CB-CG 3.86Å; D2622-K2632 VanDerWaalsContact CG-C 3.47Å; D2622-K2632 VanDerWaalsContact CG-CA 3.45Å; D2622-K2632 VanDerWaalsContact OD1-CA 3.28Å; D2622-K2632 WeakPolarHBondContact OD1-CA 3.35Å; D2622-K2632 VanDerWaalsContact OD2-C 3.26Å; D2622-K2632 WeakPolarHBondContact OD2-CB 3.36Å; D2622-I2633 PolarHBondContact OD1-N 3.01Å; D2622-V2634 WeakPolarHBondContact OD1-CB 3.31Å; D2622-V2634 WeakPolarHBondContact OD1-CG2 3.28Å; D2622-V2634 PolarHBondContact OD1-N 3.11Å; D2622-V2634 WeakPolarHBondContact OD2-CA 3.47Å; D2622-V2634 VanDerWaalsContact OD2-CB 3.31Å; D2622-V2634 WeakPolarHBondContact OD2-CB 3.37Å; D2622-V2634 PolarHBondContact OD2-N 3.09Å; D2622-V2634 VanDerWaalsContact OD2-N 3.17Å; D2622-E2635 PolarHBondContact OD2-N 3.23Å |
| 2623 | E | 96.6 | Very high | 95.2 | Very high | 73.8 Ų | 73.8 | 38.1 Ų | 38.1 | 35% | 0.345 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 171.2 | -65.3 | -57 | 128.6 | 0 | 0 | 111.5 | H2564 N2619 L2625 E2626 L2627 K2632 | H2564-E2623 HydrophobicContact CB-CB 4.44Å; H2564-E2623 VanDerWaalsContact ND1-CB 3.32Å; H2564-E2623 WeakPolarHBondContact ND1-CB 3.27Å; N2619-E2623 WeakPolarHBondContact O-CG 3.38Å; N2619-E2623 PolarHBondContact O-N 3.12Å; E2623-L2625 PolarHBondContact O-N 3.35Å; E2623-E2626 PolarHBondContact O-N 3.14Å; E2623-L2627 VanDerWaalsContact O-CG 3.31Å; E2623-L2627 WeakPolarHBondContact O-CG 3.36Å; E2623-L2627 PolarHBondContact O-N 2.92Å; E2623-L2627 VanDerWaalsContact O-N 3.1Å; E2623-K2632 IonicContact OE1-NZ 3.44Å; E2623-K2632 PolarHBondContact OE1-NZ 3.18Å; E2623-K2632 IonicContact OE2-NZ 3.42Å; E2623-K2632 PolarHBondContact OE2-NZ 2.92Å |
| 2624 | A | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.8 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H2564 L2568 D2620 L2621 L2627 C2628 | H2564-A2624 HydrophobicContact CB-CB 3.95Å; H2564-A2624 VanDerWaalsContact O-CB 3.26Å; H2564-A2624 WeakPolarHBondContact O-CB 3.25Å; L2568-A2624 HydrophobicContact CB-CB 3.56Å; L2568-A2624 HydrophobicContact CD2-CB 3.64Å; L2568-A2624 HydrophobicContact CG-CB 4.19Å; D2620-A2624 VanDerWaalsContact O-CB 3.25Å; D2620-A2624 WeakPolarHBondContact O-CB 3.27Å; D2620-A2624 PolarHBondContact O-N 3.09Å; D2620-A2624 VanDerWaalsContact O-N 3.11Å; L2621-A2624 PolarHBondContact O-N 3.22Å; A2624-L2627 PolarHBondContact O-N 3.24Å; A2624-C2628 PolarHBondContact O-N 3.22Å; A2624-C2628 VanDerWaalsContact O-N 3.1Å; A2624-C2628 PolarHBondContact O-SG 3.17Å; A2624-C2628 VanDerWaalsContact O-SG 3.38Å |
| 2625 | L | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.8 | -39.6 | 177.3 | -73.6 | 169.3 | 0 | 0 | 0 | 111.2 | I2484 A2487 L2568 L2621 D2622 E2623 L2627 C2628 K2629 L2630 I2633 | I2484-L2625 HydrophobicContact CG1-CD1 4.39Å; A2487-L2625 HydrophobicContact CB-CD2 4.03Å; L2568-L2625 HydrophobicContact CD1-CD2 4.04Å; L2568-L2625 HydrophobicContact CD1-CG 4.33Å; L2568-L2625 HydrophobicContact CD2-CD2 4.02Å; L2568-L2625 HydrophobicContact CD2-CG 4.31Å; L2621-L2625 VanDerWaalsContact O-CB 3.29Å; L2621-L2625 WeakPolarHBondContact O-CB 3.43Å; L2621-L2625 WeakPolarHBondContact O-CD1 3.46Å; L2621-L2625 WeakPolarHBondContact O-CG 3.41Å; L2621-L2625 PolarHBondContact O-N 3.26Å; D2622-L2625 PolarHBondContact O-N 3.25Å; E2623-L2625 PolarHBondContact O-N 3.35Å; L2625-L2627 VanDerWaalsContact C-N 3.34Å; L2625-L2627 PolarHBondContact O-N 3.19Å; L2625-C2628 CarbonylContact O-C 3.52Å; L2625-C2628 VanDerWaalsContact O-C 3.32Å; L2625-C2628 WeakPolarHBondContact O-CA 3.3Å; L2625-C2628 WeakPolarHBondContact O-CB 3.35Å; L2625-C2628 PolarHBondContact O-N 3.03Å; L2625-K2629 PolarHBondContact O-N 3.06Å; L2625-K2629 VanDerWaalsContact O-N 3.13Å; L2625-L2630 CarbonylContact C-O 3.53Å; L2625-L2630 HydrophobicContact CB-CB 4.13Å; L2625-L2630 HydrophobicContact CD2-CB 4.08Å; L2625-L2630 HydrophobicContact CD2-CD1 3.7Å; L2625-L2630 HydrophobicContact CD2-CG 4.47Å; L2625-L2630 WeakPolarHBondContact O-CA 3.42Å; L2625-L2630 WeakPolarHBondContact O-CB 3.36Å; L2625-L2630 PolarHBondContact O-N 3.03Å; L2625-I2633 HydrophobicContact CD1-CB 4.31Å; L2625-I2633 HydrophobicContact CD1-CG2 3.42Å; L2625-I2633 VanDerWaalsContact CD1-CG2 3.42Å |
| 2626 | E | 95 | Very high | 95 | Very high | 104.8 Ų | 104.8 | 41.3 Ų | 41.3 | 49% | 0.49 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 173.1 | -178.7 | 167.6 | -120.8 | 0 | 0 | 111.7 | D2622 E2623 C2628 K2629 K2632 | D2622-E2626 WeakPolarHBondContact O-CB 3.36Å; D2622-E2626 PolarHBondContact O-N 3.18Å; E2623-E2626 PolarHBondContact O-N 3.14Å; E2626-C2628 VanDerWaalsContact C-N 3.27Å; E2626-C2628 PolarHBondContact O-N 3Å; E2626-K2629 WeakPolarHBondContact O-CA 3.45Å; E2626-K2629 PolarHBondContact O-N 2.95Å; E2626-K2632 HydrophobicContact CB-CG 4.48Å; E2626-K2632 WeakPolarHBondContact OE1-CE 3.44Å; E2626-K2632 IonicContact OE1-NZ 3.2Å; E2626-K2632 WeakPolarHBondContact OE2-CE 3.37Å; E2626-K2632 IonicContact OE2-NZ 3.13Å; E2626-K2632 PolarHBondContact OE2-NZ 3.26Å |
| 2627 | L | 93.4 | Very high | 95 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.4 | -36.5 | 171.3 | -66.8 | 170.8 | 0 | 0 | 0 | 112.2 | L2492 K2561 L2565 E2623 A2624 L2625 K2629 | L2492-L2627 HydrophobicContact CD1-CB 4.23Å; L2492-L2627 WeakPolarHBondContact CD1-O 3.41Å; K2561-L2627 HydrophobicContact CB-CD1 3.8Å; K2561-L2627 HydrophobicContact CD-CD1 4.44Å; K2561-L2627 HydrophobicContact CD-CD2 3.92Å; K2561-L2627 HydrophobicContact CG-CD1 3.99Å; K2561-L2627 HydrophobicContact CG-CD2 4.32Å; L2565-L2627 HydrophobicContact CD1-CD1 4.27Å; L2565-L2627 HydrophobicContact CD2-CB 4.17Å; L2565-L2627 HydrophobicContact CD2-CD1 4.28Å; L2565-L2627 HydrophobicContact CG-CD1 3.97Å; E2623-L2627 VanDerWaalsContact O-CG 3.31Å; E2623-L2627 WeakPolarHBondContact O-CG 3.36Å; E2623-L2627 PolarHBondContact O-N 2.92Å; E2623-L2627 VanDerWaalsContact O-N 3.1Å; A2624-L2627 PolarHBondContact O-N 3.24Å; L2625-L2627 VanDerWaalsContact C-N 3.34Å; L2625-L2627 PolarHBondContact O-N 3.19Å; L2627-K2629 PolarHBondContact O-N 3.1Å |
| 2628 | C | 90.7 | Very high | 95.1 | Very high | 25.4 Ų | 25.4 | 39.7 Ų | 39.7 | 17% | 0.172 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 4.6 | 173.4 | -65 | 0 | 0 | 0 | 0 | 114.3 | A2624 L2625 E2626 L2630 | A2624-C2628 PolarHBondContact O-N 3.22Å; A2624-C2628 VanDerWaalsContact O-N 3.1Å; A2624-C2628 PolarHBondContact O-SG 3.17Å; A2624-C2628 VanDerWaalsContact O-SG 3.38Å; L2625-C2628 CarbonylContact O-C 3.52Å; L2625-C2628 VanDerWaalsContact O-C 3.32Å; L2625-C2628 WeakPolarHBondContact O-CA 3.3Å; L2625-C2628 WeakPolarHBondContact O-CB 3.35Å; L2625-C2628 PolarHBondContact O-N 3.03Å; E2626-C2628 VanDerWaalsContact C-N 3.27Å; E2626-C2628 PolarHBondContact O-N 3Å; C2628-L2630 VanDerWaalsContact C-N 3.26Å; C2628-L2630 HydrophobicContact CB-CD1 4.34Å; C2628-L2630 HydrophobicContact CB-CG 4.39Å; C2628-L2630 PolarHBondContact O-N 3.16Å |
| 2629 | K | 91.9 | Very high | 95 | Very high | 196.6 Ų | 196.6 | 39.7 Ų | 39.7 | 86% | 0.855 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 30.7 | -175 | -52.3 | 177 | -176.7 | 174.3 | 0 | 113.7 | L2625 E2626 L2627 | L2625-K2629 PolarHBondContact O-N 3.06Å; L2625-K2629 VanDerWaalsContact O-N 3.13Å; E2626-K2629 WeakPolarHBondContact O-CA 3.45Å; E2626-K2629 PolarHBondContact O-N 2.95Å; L2627-K2629 PolarHBondContact O-N 3.1Å |
| 2630 | L | 91.8 | Very high | 95 | Very high | 26.2 Ų | 26.2 | 35 Ų | 35 | 14% | 0.137 | 17% | 0.174 | C | C | . | . | trans | -106 | 156.2 | 173.5 | -66.6 | 176.8 | 0 | 0 | 0 | 109.9 | A2487 L2625 C2628 P2894 L2896 | A2487-L2630 HydrophobicContact CB-CD1 3.73Å; L2625-L2630 CarbonylContact C-O 3.53Å; L2625-L2630 HydrophobicContact CB-CB 4.13Å; L2625-L2630 HydrophobicContact CD2-CB 4.08Å; L2625-L2630 HydrophobicContact CD2-CD1 3.7Å; L2625-L2630 HydrophobicContact CD2-CG 4.47Å; L2625-L2630 WeakPolarHBondContact O-CA 3.42Å; L2625-L2630 WeakPolarHBondContact O-CB 3.36Å; L2625-L2630 PolarHBondContact O-N 3.03Å; C2628-L2630 VanDerWaalsContact C-N 3.26Å; C2628-L2630 HydrophobicContact CB-CD1 4.34Å; C2628-L2630 HydrophobicContact CB-CG 4.39Å; C2628-L2630 PolarHBondContact O-N 3.16Å; L2630-P2894 HydrophobicContact CD2-CG 3.74Å; L2630-L2896 HydrophobicContact CD2-CD1 3.86Å; L2630-L2896 HydrophobicContact CD2-CD2 4.16Å; L2630-L2896 HydrophobicContact CD2-CG 4.09Å | ||
| 2631 | P | 92.7 | Very high | 95.1 | Very high | 44.6 Ų | 44.6 | 38.3 Ų | 38.3 | 29% | 0.29 | 19% | 0.188 | S | C | . | . | trans | -65.4 | 151.2 | 178 | 27.7 | -35.5 | 0 | 0 | 0 | 111.7 | I2633 | P2631-I2633 PolarHBondContact O-N 3.22Š| ||
| 2632 | K | 95.6 | Very high | 95 | Very high | 45.4 Ų | 45.4 | 39 Ų | 39 | 20% | 0.197 | 19% | 0.191 | C | C | . | . | trans | -64.3 | 79 | 166.6 | -66.4 | -161.6 | 177.2 | -175.6 | 0 | 110 | D2622 E2623 E2626 V2634 E2635 V2636 | D2622-K2632 HydrophobicContact CB-CB 3.84Å; D2622-K2632 HydrophobicContact CB-CD 4.08Å; D2622-K2632 HydrophobicContact CB-CG 3.86Å; D2622-K2632 VanDerWaalsContact CG-C 3.47Å; D2622-K2632 VanDerWaalsContact CG-CA 3.45Å; D2622-K2632 VanDerWaalsContact OD1-CA 3.28Å; D2622-K2632 WeakPolarHBondContact OD1-CA 3.35Å; D2622-K2632 VanDerWaalsContact OD2-C 3.26Å; D2622-K2632 WeakPolarHBondContact OD2-CB 3.36Å; E2623-K2632 IonicContact OE1-NZ 3.44Å; E2623-K2632 PolarHBondContact OE1-NZ 3.18Å; E2623-K2632 IonicContact OE2-NZ 3.42Å; E2623-K2632 PolarHBondContact OE2-NZ 2.92Å; E2626-K2632 HydrophobicContact CB-CG 4.48Å; E2626-K2632 WeakPolarHBondContact OE1-CE 3.44Å; E2626-K2632 IonicContact OE1-NZ 3.2Å; E2626-K2632 WeakPolarHBondContact OE2-CE 3.37Å; E2626-K2632 IonicContact OE2-NZ 3.13Å; E2626-K2632 PolarHBondContact OE2-NZ 3.26Å; K2632-V2634 VanDerWaalsContact C-N 3.31Å; K2632-V2634 PolarHBondContact O-N 3.24Å; K2632-E2635 HydrophobicContact CB-CB 4.26Å; K2632-E2635 PolarHBondContact O-N 3.13Å; K2632-V2636 WeakPolarHBondContact O-CB 3.38Å; K2632-V2636 VanDerWaalsContact O-CG2 3.26Å; K2632-V2636 WeakPolarHBondContact O-CG2 3.28Å; K2632-V2636 PolarHBondContact O-N 3.21Å | ||
| 2633 | I | 95.2 | Very high | 94.8 | Very high | 0.6 Ų | 0.6 | 38.6 Ų | 38.6 | 0% | 0.003 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.8 | -27.4 | -166.1 | -162.8 | 60.6 | 0 | 0 | 0 | 112.2 | P2479 I2480 C2483 D2622 L2625 P2631 V2636 V2637 I2891 I2893 | P2479-I2633 HydrophobicContact CB-CD1 4.1Å; P2479-I2633 HydrophobicContact CB-CG1 4.35Å; I2480-I2633 HydrophobicContact CB-CG2 4.48Å; I2480-I2633 HydrophobicContact CG1-CG1 4.26Å; I2480-I2633 HydrophobicContact CG1-CG2 4.34Å; I2480-I2633 HydrophobicContact CG2-CG2 4.35Å; C2483-I2633 HydrophobicContact CB-CB 4.18Å; C2483-I2633 HydrophobicContact CB-CG1 3.93Å; C2483-I2633 HydrophobicContact CB-CG2 4.13Å; D2622-I2633 PolarHBondContact OD1-N 3.01Å; L2625-I2633 HydrophobicContact CD1-CB 4.31Å; L2625-I2633 HydrophobicContact CD1-CG2 3.42Å; L2625-I2633 VanDerWaalsContact CD1-CG2 3.42Å; P2631-I2633 PolarHBondContact O-N 3.22Å; I2633-V2636 HydrophobicContact CD1-CG1 4.46Å; I2633-V2637 HydrophobicContact CD1-CG2 4.22Å; I2633-V2637 HydrophobicContact CG1-CG2 4.32Å; I2633-V2637 WeakPolarHBondContact O-CB 3.36Å; I2633-V2637 VanDerWaalsContact O-CG2 3.25Å; I2633-V2637 WeakPolarHBondContact O-CG2 3.36Å; I2633-V2637 PolarHBondContact O-N 3.22Å; I2633-I2891 HydrophobicContact CD1-CG2 4.29Å; I2633-I2893 HydrophobicContact CD1-CD1 3.9Å; I2633-I2893 HydrophobicContact CD1-CG1 4.28Å |
| 2634 | V | 96.3 | Very high | 94.7 | Very high | 4.2 Ų | 4.2 | 36.2 Ų | 36.2 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.1 | -47.7 | 175.3 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | L2621 D2622 K2632 V2636 V2637 L2638 | L2621-V2634 HydrophobicContact CB-CG2 4.4Å; D2622-V2634 WeakPolarHBondContact OD1-CB 3.31Å; D2622-V2634 WeakPolarHBondContact OD1-CG2 3.28Å; D2622-V2634 PolarHBondContact OD1-N 3.11Å; D2622-V2634 WeakPolarHBondContact OD2-CA 3.47Å; D2622-V2634 VanDerWaalsContact OD2-CB 3.31Å; D2622-V2634 WeakPolarHBondContact OD2-CB 3.37Å; D2622-V2634 PolarHBondContact OD2-N 3.09Å; D2622-V2634 VanDerWaalsContact OD2-N 3.17Å; K2632-V2634 VanDerWaalsContact C-N 3.31Å; K2632-V2634 PolarHBondContact O-N 3.24Å; V2634-V2636 PolarHBondContact O-N 3.18Å; V2634-V2637 PolarHBondContact O-N 3.17Å; V2634-L2638 HydrophobicContact CG1-CD1 3.66Å; V2634-L2638 WeakPolarHBondContact O-CA 3.35Å; V2634-L2638 VanDerWaalsContact O-CB 3.31Å; V2634-L2638 WeakPolarHBondContact O-CB 3.36Å; V2634-L2638 PolarHBondContact O-N 3.21Å |
| 2635 | E | 95.5 | Very high | 94.6 | Very high | 83.4 Ų | 83.4 | 36.4 Ų | 36.4 | 39% | 0.39 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 173.2 | -165.8 | -168.9 | 166.9 | 0 | 0 | 112.4 | D2622 K2632 V2637 G2639 | D2622-E2635 PolarHBondContact OD2-N 3.23Å; K2632-E2635 HydrophobicContact CB-CB 4.26Å; K2632-E2635 PolarHBondContact O-N 3.13Å; E2635-V2637 VanDerWaalsContact C-N 3.34Å; E2635-V2637 PolarHBondContact O-N 3.17Å; E2635-G2639 WeakPolarHBondContact O-CA 3.35Å; E2635-G2639 PolarHBondContact O-N 2.98Å |
| 2636 | V | 94.6 | Very high | 94.4 | Very high | 55.2 Ų | 55.2 | 38.4 Ų | 38.4 | 34% | 0.335 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.2 | 166.9 | 0 | 0 | 0 | 0 | 111.8 | K2632 I2633 V2634 I2891 | K2632-V2636 WeakPolarHBondContact O-CB 3.38Å; K2632-V2636 VanDerWaalsContact O-CG2 3.26Å; K2632-V2636 WeakPolarHBondContact O-CG2 3.28Å; K2632-V2636 PolarHBondContact O-N 3.21Å; I2633-V2636 HydrophobicContact CD1-CG1 4.46Å; V2634-V2636 PolarHBondContact O-N 3.18Å; V2636-I2891 HydrophobicContact CG1-CD1 3.9Å; V2636-I2891 HydrophobicContact CG1-CG1 4.34Å; V2636-I2891 HydrophobicContact CG1-CG2 4.34Å |
| 2637 | V | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -87.1 | -42.3 | -176.2 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | L2477 P2479 I2480 I2633 V2634 E2635 L2715 V2716 F2884 | L2477-V2637 HydrophobicContact CD1-CG1 4.44Å; P2479-V2637 HydrophobicContact CB-CG2 3.85Å; P2479-V2637 HydrophobicContact CG-CG1 4.48Å; P2479-V2637 HydrophobicContact CG-CG2 4.13Å; I2480-V2637 HydrophobicContact CD1-CB 4.33Å; I2480-V2637 HydrophobicContact CD1-CG1 4.38Å; I2480-V2637 HydrophobicContact CG1-CB 4.36Å; I2480-V2637 HydrophobicContact CG1-CG1 4.49Å; I2480-V2637 HydrophobicContact CG1-CG2 4.18Å; I2633-V2637 HydrophobicContact CD1-CG2 4.22Å; I2633-V2637 HydrophobicContact CG1-CG2 4.32Å; I2633-V2637 WeakPolarHBondContact O-CB 3.36Å; I2633-V2637 VanDerWaalsContact O-CG2 3.25Å; I2633-V2637 WeakPolarHBondContact O-CG2 3.36Å; I2633-V2637 PolarHBondContact O-N 3.22Å; V2634-V2637 PolarHBondContact O-N 3.17Å; E2635-V2637 VanDerWaalsContact C-N 3.34Å; E2635-V2637 PolarHBondContact O-N 3.17Å; V2637-L2715 HydrophobicContact CG1-CB 4.45Å; V2637-L2715 WeakPolarHBondContact O-CA 3.28Å; V2637-L2715 WeakPolarHBondContact O-CB 3.25Å; V2637-L2715 PolarHBondContact O-N 3.21Å; V2637-V2716 HydrophobicContact CG1-CB 4.21Å; V2637-V2716 HydrophobicContact CG1-CG2 3.94Å; V2637-V2716 PolarHBondContact O-N 3.05Å; V2637-F2884 HydrophobicContact CG1-CE2 4.35Å |
| 2638 | L | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -109.8 | -13 | -169.5 | -61 | 151 | 0 | 0 | 0 | 113.3 | L2474 L2477 I2480 F2614 V2634 G2640 P2714 V2716 T2718 F2878 | L2474-L2638 HydrophobicContact CD2-CD1 4.1Å; L2477-L2638 HydrophobicContact CD1-CD1 4.45Å; L2477-L2638 HydrophobicContact CD1-CD2 4.3Å; I2480-L2638 HydrophobicContact CD1-CD1 3.76Å; I2480-L2638 HydrophobicContact CD1-CG 4.5Å; F2614-L2638 HydrophobicContact CE2-CD1 4.2Å; F2614-L2638 HydrophobicContact CZ-CD1 4.07Å; F2614-L2638 HydrophobicContact CZ-CD2 4.39Å; V2634-L2638 HydrophobicContact CG1-CD1 3.66Å; V2634-L2638 WeakPolarHBondContact O-CA 3.35Å; V2634-L2638 VanDerWaalsContact O-CB 3.31Å; V2634-L2638 WeakPolarHBondContact O-CB 3.36Å; V2634-L2638 PolarHBondContact O-N 3.21Å; L2638-G2640 PolarHBondContact O-N 3.13Å; L2638-P2714 VanDerWaalsContact C-CB 3.48Å; L2638-P2714 WeakPolarHBondContact O-CB 3.35Å; L2638-V2716 HydrophobicContact CD2-CB 3.77Å; L2638-V2716 HydrophobicContact CD2-CG1 3.75Å; L2638-T2718 WeakPolarHBondContact CD2-OG1 3.31Å; L2638-F2878 HydrophobicContact CD2-CD1 4.43Å; L2638-F2878 HydrophobicContact CD2-CE1 4.42Å |
| 2639 | G | 96.3 | Very high | 94.2 | Very high | 3.8 Ų | 3.8 | 36.7 Ų | 36.7 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | trans | -81.2 | 110.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E2635 F2661 K2712 | E2635-G2639 WeakPolarHBondContact O-CA 3.35Å; E2635-G2639 PolarHBondContact O-N 2.98Å; G2639-F2661 CarbonylContact C-O 3.39Å; G2639-F2661 WeakPolarHBondContact CA-O 3.39Å; G2639-K2712 WeakPolarHBondContact O-CD 3.33Å; G2639-K2712 VanDerWaalsContact O-CE 3.3Å; G2639-K2712 WeakPolarHBondContact O-CE 3.3Å; G2639-K2712 PolarHBondContact O-NZ 3.1Å; G2639-K2712 VanDerWaalsContact O-NZ 3.13Å | ||
| 2640 | G | 95.7 | Very high | 94.1 | Very high | 1.2 Ų | 1.2 | 32.3 Ų | 32.3 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 177.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113 | L2638 S2660 F2661 K2712 | L2638-G2640 PolarHBondContact O-N 3.13Å; G2640-S2660 WeakPolarHBondContact O-CA 3.39Å; G2640-F2661 PolarHBondContact N-O 3.09Å; G2640-F2661 PolarHBondContact O-N 2.99Å; G2640-K2712 CarbonylContact C-O 3.55Å; G2640-K2712 WeakPolarHBondContact CA-O 3.37Å |
| 2641 | K | 96.3 | Very high | 94 | Very high | 83.2 Ų | 83.2 | 31.9 Ų | 31.9 | 36% | 0.362 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 132.7 | 171.2 | -64.4 | -172.4 | 174.9 | -176.3 | 0 | 110.8 | E2659 S2660 Q2711 K2712 | K2641-E2659 CarbonylContact C-O 3.54Å; K2641-E2659 VanDerWaalsContact CA-O 3.27Å; K2641-E2659 WeakPolarHBondContact CA-O 3.22Å; K2641-S2660 WeakPolarHBondContact CE-OG 3.44Å; K2641-Q2711 HydrophobicContact CB-CB 4.46Å; K2641-Q2711 WeakPolarHBondContact O-CA 3.39Å; K2641-Q2711 PolarHBondContact O-N 3.13Å; K2641-K2712 HydrophobicContact CB-CB 3.9Å; K2641-K2712 HydrophobicContact CG-CB 4.18Å; K2641-K2712 HydrophobicContact CG-CD 4.44Å; K2641-K2712 PolarHBondContact N-O 3.24Å; K2641-K2712 PolarHBondContact O-N 2.98Å; K2641-K2712 VanDerWaalsContact O-N 3.08Å |
| 2642 | F | 95.1 | Very high | 93.8 | Very high | 15.4 Ų | 15.4 | 33.4 Ų | 33.4 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 160.5 | 166.9 | -65.1 | -62.6 | 0 | 0 | 0 | 111.6 | Y2658 E2659 F2661 L2664 Y2681 M2708 C2709 I2710 | F2642-Y2658 VanDerWaalsContact O-CA 3.32Å; F2642-Y2658 WeakPolarHBondContact O-CA 3.41Å; F2642-E2659 HydrophobicContact CB-CB 4.48Å; F2642-E2659 PolarHBondContact N-O 3.16Å; F2642-E2659 PolarHBondContact O-N 3.11Å; F2642-F2661 AromaticContact CD1-CD1 3.99Å; F2642-F2661 HydrophobicContact CD1-CD1 4.05Å; F2642-F2661 AromaticContact CD1-CE1 3.89Å; F2642-F2661 HydrophobicContact CD1-CE1 3.89Å; F2642-F2661 HydrophobicContact CD2-CB 4.15Å; F2642-F2661 AromaticContact CD2-CD1 3.45Å; F2642-F2661 HydrophobicContact CD2-CD1 3.45Å; F2642-F2661 VanDerWaalsContact CD2-CD1 3.45Å; F2642-F2661 HydrophobicContact CD2-CE1 4.16Å; F2642-F2661 HydrophobicContact CD2-CG 4.08Å; F2642-F2661 AromaticContact CE1-CD1 3.94Å; F2642-F2661 HydrophobicContact CE1-CD1 3.96Å; F2642-F2661 AromaticContact CE1-CE1 3.8Å; F2642-F2661 HydrophobicContact CE1-CE1 3.8Å; F2642-F2661 HydrophobicContact CE1-CZ 4.33Å; F2642-F2661 HydrophobicContact CE2-CB 3.63Å; F2642-F2661 AromaticContact CE2-CD1 3.35Å; F2642-F2661 HydrophobicContact CE2-CD1 3.35Å; F2642-F2661 HydrophobicContact CE2-CD2 4.43Å; F2642-F2661 HydrophobicContact CE2-CE1 4.07Å; F2642-F2661 AromaticContact CE2-CG 3.56Å; F2642-F2661 HydrophobicContact CE2-CG 3.56Å; F2642-F2661 AromaticContact CG-CD1 3.8Å; F2642-F2661 HydrophobicContact CG-CD1 3.8Å; F2642-F2661 HydrophobicContact CG-CE1 4.06Å; F2642-F2661 HydrophobicContact CZ-CB 4.33Å; F2642-F2661 AromaticContact CZ-CD1 3.6Å; F2642-F2661 HydrophobicContact CZ-CD1 3.6Å; F2642-F2661 HydrophobicContact CZ-CD2 4.32Å; F2642-F2661 AromaticContact CZ-CE1 3.88Å; F2642-F2661 HydrophobicContact CZ-CE1 3.88Å; F2642-F2661 AromaticContact CZ-CG 3.84Å; F2642-F2661 HydrophobicContact CZ-CG 3.84Å; F2642-F2661 HydrophobicContact CZ-CZ 4.37Å; F2642-L2664 HydrophobicContact CE1-CD1 3.66Å; F2642-L2664 HydrophobicContact CZ-CD1 3.55Å; F2642-Y2681 HydrophobicContact CE1-CD1 4.29Å; F2642-Y2681 AromaticContact CE1-CE1 3.92Å; F2642-Y2681 HydrophobicContact CE1-CE1 3.96Å; F2642-Y2681 AromaticContact CZ-CE1 3.94Å; F2642-Y2681 HydrophobicContact CZ-CE1 4.05Å; F2642-M2708 HydrophobicContact CB-CE 4.05Å; F2642-M2708 HydrophobicContact CB-CG 3.99Å; F2642-M2708 HydrophobicContact CB-SD 4.09Å; F2642-M2708 HydrophobicContact CD1-CE 4.31Å; F2642-M2708 HydrophobicContact CD1-CG 3.86Å; F2642-M2708 HydrophobicContact CD1-SD 4.31Å; F2642-M2708 HydrophobicContact CD2-CE 3.85Å; F2642-M2708 HydrophobicContact CD2-SD 4.09Å; F2642-M2708 HydrophobicContact CE2-CE 4.36Å; F2642-M2708 HydrophobicContact CG-CE 3.83Å; F2642-M2708 HydrophobicContact CG-CG 3.95Å; F2642-M2708 HydrophobicContact CG-SD 3.92Å; F2642-C2709 CarbonylContact C-O 3.51Å; F2642-C2709 WeakPolarHBondContact CA-O 3.37Å; F2642-I2710 HydrophobicContact CD1-CG1 4.27Å; F2642-I2710 HydrophobicContact CE1-CG1 4.26Å |
| 2643 | A | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 107.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q2645 T2656 S2657 Y2658 C2709 Q2711 V2753 | A2643-Q2645 HydrophobicContact CB-CG 4.35Å; A2643-Q2645 PolarHBondContact O-N 3.16Å; A2643-T2656 HydrophobicContact CB-CG2 3.84Å; A2643-S2657 CarbonylContact C-O 3.52Å; A2643-S2657 WeakPolarHBondContact CA-O 3.39Å; A2643-Y2658 HydrophobicContact CB-CD1 4.03Å; A2643-Y2658 HydrophobicContact CB-CE1 3.95Å; A2643-C2709 PolarHBondContact N-O 3.15Å; A2643-C2709 PolarHBondContact O-N 2.94Å; A2643-C2709 VanDerWaalsContact O-N 3.11Å; A2643-C2709 PolarHBondContact O-SG 3.18Å; A2643-C2709 VanDerWaalsContact O-SG 3.38Å; A2643-Q2711 HydrophobicContact CB-CB 4.22Å; A2643-V2753 HydrophobicContact CB-CG2 3.86Å |
| 2644 | D | 93.5 | Very high | 93.3 | Very high | 24.6 Ų | 24.6 | 35.2 Ų | 35.2 | 13% | 0.132 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 109.5 | 166.3 | 171.2 | 19.1 | 0 | 0 | 0 | 107.9 | K2646 T2656 S2657 M2708 | D2644-K2646 VanDerWaalsContact CG-NZ 3.35Å; D2644-K2646 VanDerWaalsContact OD1-CE 3.31Å; D2644-K2646 WeakPolarHBondContact OD1-CE 3.39Å; D2644-K2646 IonicContact OD1-NZ 3.18Å; D2644-K2646 WeakPolarHBondContact OD2-CE 3.24Å; D2644-K2646 IonicContact OD2-NZ 3.2Å; D2644-K2646 PolarHBondContact OD2-NZ 3.07Å; D2644-T2656 WeakPolarHBondContact O-CA 3.39Å; D2644-S2657 PolarHBondContact N-O 3.18Å; D2644-S2657 PolarHBondContact O-N 3.15Å; D2644-M2708 HydrophobicContact CB-CG 4.45Å |
| 2645 | Q | 92.5 | Very high | 93.1 | Very high | 2.8 Ų | 2.8 | 36.1 Ų | 36.1 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.5 | -175.8 | -64.4 | -176.4 | 5.3 | 0 | 0 | 110.3 | A2643 I2647 R2654 T2656 K2706 R2707 C2709 | A2643-Q2645 HydrophobicContact CB-CG 4.35Å; A2643-Q2645 PolarHBondContact O-N 3.16Å; Q2645-I2647 HydrophobicContact CB-CG1 4.41Å; Q2645-R2654 VanDerWaalsContact CD-NH2 3.27Å; Q2645-R2654 VanDerWaalsContact NE2-NH2 3.14Å; Q2645-T2656 HydrophobicContact CG-CG2 4.13Å; Q2645-K2706 CarbonylContact O-C 3.55Å; Q2645-K2706 WeakPolarHBondContact O-CA 3.29Å; Q2645-R2707 HydrophobicContact CB-CG 4.11Å; Q2645-R2707 PolarHBondContact N-O 3.31Å; Q2645-R2707 PolarHBondContact O-N 3.26Å; Q2645-C2709 VanDerWaalsContact CD-SG 3.55Å; Q2645-C2709 PolarHBondContact NE2-SG 3.05Å; Q2645-C2709 VanDerWaalsContact NE2-SG 3.38Å |
| 2646 | K | 92.2 | Very high | 92.9 | Very high | 43.4 Ų | 43.4 | 34.1 Ų | 34.1 | 19% | 0.189 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 97.8 | 176 | -70.6 | 160.1 | -170.1 | 138.9 | 0 | 108.1 | D2644 R2654 Y2655 Y2693 I2704 K2706 | D2644-K2646 VanDerWaalsContact CG-NZ 3.35Å; D2644-K2646 VanDerWaalsContact OD1-CE 3.31Å; D2644-K2646 WeakPolarHBondContact OD1-CE 3.39Å; D2644-K2646 IonicContact OD1-NZ 3.18Å; D2644-K2646 WeakPolarHBondContact OD2-CE 3.24Å; D2644-K2646 IonicContact OD2-NZ 3.2Å; D2644-K2646 PolarHBondContact OD2-NZ 3.07Å; K2646-R2654 WeakPolarHBondContact O-CA 3.39Å; K2646-Y2655 PolarHBondContact N-O 3.13Å; K2646-Y2655 PolarHBondContact O-N 3.09Å; K2646-Y2693 HydrophobicContact CD-CE2 4.22Å; K2646-I2704 HydrophobicContact CB-CD1 3.62Å; K2646-I2704 HydrophobicContact CD-CD1 4.47Å; K2646-I2704 HydrophobicContact CG-CD1 3.73Å; K2646-K2706 HydrophobicContact CG-CB 4.43Å; K2646-K2706 HydrophobicContact CG-CG 4.13Å |
| 2647 | I | 91.8 | Very high | 92.9 | Very high | 34.4 Ų | 34.4 | 34.1 Ų | 34.1 | 18% | 0.176 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 113.5 | -174.4 | -52.7 | 174.7 | 0 | 0 | 0 | 107.9 | Q2645 R2654 I2704 L2705 | Q2645-I2647 HydrophobicContact CB-CG1 4.41Å; I2647-R2654 HydrophobicContact CG1-CG 4.17Å; I2647-I2704 CarbonylContact O-C 3.5Å; I2647-I2704 VanDerWaalsContact O-CA 3.26Å; I2647-I2704 WeakPolarHBondContact O-CA 3.29Å; I2647-I2704 WeakPolarHBondContact O-CB 3.37Å; I2647-L2705 HydrophobicContact CB-CB 4.48Å; I2647-L2705 PolarHBondContact N-O 3.25Å; I2647-L2705 PolarHBondContact O-N 2.89Å |
| 2648 | C | 92.5 | Very high | 92.9 | Very high | 9.4 Ų | 9.4 | 40.6 Ų | 40.6 | 6% | 0.064 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 139 | 175.4 | -63 | 0 | 0 | 0 | 0 | 111.3 | C2651 H2653 I2702 I2704 | C2648-C2651 WeakPolarHBondContact CB-O 3.4Å; C2648-C2651 WeakPolarHBondContact CB-SG 3.26Å; C2648-H2653 VanDerWaalsContact CB-O 3.3Å; C2648-H2653 WeakPolarHBondContact CB-O 3.39Å; C2648-H2653 PolarHBondContact N-O 3.27Å; C2648-H2653 VanDerWaalsContact N-O 3.13Å; C2648-H2653 PolarHBondContact SG-O 2.96Å; C2648-I2702 HydrophobicContact CB-CG2 4.37Å; C2648-I2704 HydrophobicContact CB-CG2 4.24Å; C2648-I2704 VanDerWaalsContact SG-CG2 3.58Å |
| 2649 | L | 90.5 | Very high | 92.7 | Very high | 96 Ų | 96 | 46.3 Ų | 46.3 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -87.4 | -42.3 | 179.2 | -56.2 | -174.9 | 0 | 0 | 0 | 111.7 | C2651 L2686 P2703 L2705 | L2649-C2651 VanDerWaalsContact C-N 3.33Å; L2649-C2651 PolarHBondContact O-N 2.83Å; L2649-L2686 HydrophobicContact CD1-CD1 3.64Å; L2649-P2703 HydrophobicContact CB-CG 4.44Å; L2649-P2703 HydrophobicContact CD1-CB 4.33Å; L2649-P2703 PolarHBondContact N-O 3.17Å; L2649-L2705 HydrophobicContact CD2-CB 4.41Å |
| 2650 | D | 88.9 | Confident | 92.7 | Very high | 103.8 Ų | 103.8 | 49.6 Ų | 49.6 | 56% | 0.555 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -95.2 | 14.7 | -178.8 | -42.7 | -33.9 | 0 | 0 | 0 | 114.3 | I2702 P2703 | D2650-I2702 HydrophobicContact CB-CG2 3.78Å; D2650-P2703 VanDerWaalsContact OD2-CD 3.25Å; D2650-P2703 WeakPolarHBondContact OD2-CD 3.4Å; D2650-P2703 VanDerWaalsContact OD2-CG 3.26Å; D2650-P2703 WeakPolarHBondContact OD2-CG 3.45Å |
| 2651 | C | 89.8 | Confident | 92.7 | Very high | 18.2 Ų | 18.2 | 50.3 Ų | 50.3 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -157.9 | 155.5 | 171.4 | 78.3 | 0 | 0 | 0 | 0 | 111.3 | C2648 L2649 H2653 C2698 I2702 | C2648-C2651 WeakPolarHBondContact CB-O 3.4Å; C2648-C2651 WeakPolarHBondContact CB-SG 3.26Å; L2649-C2651 VanDerWaalsContact C-N 3.33Å; L2649-C2651 PolarHBondContact O-N 2.83Å; C2651-H2653 PolarHBondContact O-N 3.24Å; C2651-H2653 PolarHBondContact SG-ND1 3.07Å; C2651-H2653 VanDerWaalsContact SG-ND1 3.38Å; C2651-C2698 VanDerWaalsContact SG-SG 3.65Å; C2651-I2702 HydrophobicContact CB-CD1 4.04Å; C2651-I2702 WeakPolarHBondContact SG-CD1 3.42Å |
| 2652 | P | 90.1 | Very high | 92.6 | Very high | 76.8 Ų | 76.8 | 48.1 Ų | 48.1 | 50% | 0.499 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -76.1 | 10.9 | -173.3 | 33.6 | -38.3 | 0 | 0 | 0 | 114.2 | I2766 T2767 T2768 | P2652-I2766 VanDerWaalsContact CB-O 3.31Å; P2652-I2766 WeakPolarHBondContact CB-O 3.41Å; P2652-T2767 WeakPolarHBondContact O-CA 3.16Å; P2652-T2768 PolarHBondContact O-N 2.88Å; P2652-T2768 PolarHBondContact O-OG1 3.03Å |
| 2653 | H | 89.9 | Confident | 92.7 | Very high | 40.6 Ų | 40.6 | 47.8 Ų | 47.8 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 129.7 | -176.7 | -59.6 | 128.5 | 0 | 0 | 0 | 111.6 | C2648 C2651 Y2655 L2697 C2698 | C2648-H2653 VanDerWaalsContact CB-O 3.3Å; C2648-H2653 WeakPolarHBondContact CB-O 3.39Å; C2648-H2653 PolarHBondContact N-O 3.27Å; C2648-H2653 VanDerWaalsContact N-O 3.13Å; C2648-H2653 PolarHBondContact SG-O 2.96Å; C2651-H2653 PolarHBondContact O-N 3.24Å; C2651-H2653 PolarHBondContact SG-ND1 3.07Å; C2651-H2653 VanDerWaalsContact SG-ND1 3.38Å; H2653-Y2655 HydrophobicContact CB-CE2 4.24Å; H2653-L2697 HydrophobicContact CB-CD1 4.32Å; H2653-L2697 VanDerWaalsContact CD2-CD1 3.43Å; H2653-L2697 WeakPolarHBondContact CD2-CD1 3.41Å; H2653-L2697 VanDerWaalsContact CE1-CB 3.44Å; H2653-L2697 WeakPolarHBondContact CE1-CB 3.46Å; H2653-C2698 PolarHBondContact CE1-SG 3.11Å; H2653-C2698 PolarHBondContact ND1-SG 3.17Å |
| 2654 | R | 89.5 | Confident | 92.7 | Very high | 42.6 Ų | 42.6 | 47.9 Ų | 47.9 | 16% | 0.161 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.7 | 172.8 | -179.6 | 172.8 | 176.8 | -147.5 | 9.2 | 109.3 | Q2645 K2646 I2647 T2768 D2769 V2770 | Q2645-R2654 VanDerWaalsContact CD-NH2 3.27Å; Q2645-R2654 VanDerWaalsContact NE2-NH2 3.14Å; K2646-R2654 WeakPolarHBondContact O-CA 3.39Å; I2647-R2654 HydrophobicContact CG1-CG 4.17Å; R2654-T2768 PolarHBondContact N-O 2.87Å; R2654-T2768 VanDerWaalsContact N-O 3.17Å; R2654-D2769 WeakPolarHBondContact CB-OD1 3.37Å; R2654-D2769 VanDerWaalsContact CD-OD1 3.26Å; R2654-D2769 WeakPolarHBondContact CD-OD1 3.3Å; R2654-D2769 WeakPolarHBondContact CG-OD1 3.32Å; R2654-D2769 IonicContact CZ-OD1 3.28Å; R2654-D2769 IonicContact NE-OD1 3.02Å; R2654-D2769 IonicContact NH1-OD1 3.08Å; R2654-D2769 PolarHBondContact NH1-OD1 3.14Å; R2654-D2769 IonicContact NH1-OD2 3.34Å; R2654-D2769 PolarHBondContact NH1-OD2 2.86Å; R2654-V2770 PolarHBondContact O-N 3.17Å |
| 2655 | Y | 92 | Very high | 92.8 | Very high | 23.8 Ų | 23.8 | 49.1 Ų | 49.1 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.3 | 174 | -52.4 | -90 | 0 | 0 | 0 | 108.4 | K2646 H2653 Y2693 C2695 R2696 L2697 | K2646-Y2655 PolarHBondContact N-O 3.13Å; K2646-Y2655 PolarHBondContact O-N 3.09Å; H2653-Y2655 HydrophobicContact CB-CE2 4.24Å; Y2655-Y2693 AromaticContact CD2-CE1 3.93Å; Y2655-Y2693 HydrophobicContact CD2-CE1 3.93Å; Y2655-Y2693 AromaticContact CE2-CE1 3.83Å; Y2655-Y2693 HydrophobicContact CE2-CE1 3.83Å; Y2655-C2695 PolarHBondContact OH-SG 3.18Å; Y2655-R2696 PolarHBondContact OH-N 3.15Å; Y2655-L2697 HydrophobicContact CE1-CD1 4.22Å; Y2655-L2697 HydrophobicContact CE1-CG 4.47Å; Y2655-L2697 WeakPolarHBondContact OH-CG 3.28Å; Y2655-L2697 PolarHBondContact OH-N 3.07Å |
| 2656 | T | 92.4 | Very high | 92.9 | Very high | 41.6 Ų | 41.6 | 48.9 Ų | 48.9 | 26% | 0.255 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.6 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | A2643 D2644 Q2645 Y2658 | A2643-T2656 HydrophobicContact CB-CG2 3.84Å; D2644-T2656 WeakPolarHBondContact O-CA 3.39Å; Q2645-T2656 HydrophobicContact CG-CG2 4.13Å; T2656-Y2658 HydrophobicContact CG2-CD1 4.42Å; T2656-Y2658 HydrophobicContact CG2-CE1 3.96Å |
| 2657 | S | 94 | Very high | 92.9 | Very high | 54.4 Ų | 54.4 | 49.8 Ų | 49.8 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.2 | 170.8 | 39.2 | 0 | 0 | 0 | 0 | 110.2 | A2643 D2644 | A2643-S2657 CarbonylContact C-O 3.52Å; A2643-S2657 WeakPolarHBondContact CA-O 3.39Å; D2644-S2657 PolarHBondContact N-O 3.18Å; D2644-S2657 PolarHBondContact O-N 3.15Å |
| 2658 | Y | 95.1 | Very high | 92.8 | Very high | 136.6 Ų | 136.6 | 48.3 Ų | 48.3 | 54% | 0.536 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 142.6 | -177.7 | -57.5 | -71.1 | 0 | 0 | 0 | 111.4 | F2642 A2643 T2656 Q2711 | F2642-Y2658 VanDerWaalsContact O-CA 3.32Å; F2642-Y2658 WeakPolarHBondContact O-CA 3.41Å; A2643-Y2658 HydrophobicContact CB-CD1 4.03Å; A2643-Y2658 HydrophobicContact CB-CE1 3.95Å; T2656-Y2658 HydrophobicContact CG2-CD1 4.42Å; T2656-Y2658 HydrophobicContact CG2-CE1 3.96Å; Y2658-Q2711 HydrophobicContact CD1-CB 4.23Å; Y2658-Q2711 HydrophobicContact CD1-CG 3.98Å; Y2658-Q2711 HydrophobicContact CE1-CB 4.25Å; Y2658-Q2711 HydrophobicContact CE1-CG 3.72Å |
| 2659 | E | 94.3 | Very high | 92.6 | Very high | 119.2 Ų | 119.2 | 51.6 Ų | 51.6 | 56% | 0.557 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 127.8 | -178.7 | -175.8 | 173.4 | -169 | 0 | 0 | 109.2 | K2641 F2642 | K2641-E2659 CarbonylContact C-O 3.54Å; K2641-E2659 VanDerWaalsContact CA-O 3.27Å; K2641-E2659 WeakPolarHBondContact CA-O 3.22Å; F2642-E2659 HydrophobicContact CB-CB 4.48Å; F2642-E2659 PolarHBondContact N-O 3.16Å; F2642-E2659 PolarHBondContact O-N 3.11Å |
| 2660 | S | 95.2 | Very high | 92.3 | Very high | 73.6 Ų | 73.6 | 53.5 Ų | 53.5 | 52% | 0.515 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 145.7 | 177.8 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | G2640 K2641 | G2640-S2660 WeakPolarHBondContact O-CA 3.39Å; K2641-S2660 WeakPolarHBondContact CE-OG 3.44Å |
| 2661 | F | 95.7 | Very high | 92.4 | Very high | 16.8 Ų | 16.8 | 50 Ų | 50 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.9 | 175.8 | 71.1 | -93 | 0 | 0 | 0 | 112.1 | G2639 G2640 F2642 L2664 I2710 L2717 | G2639-F2661 CarbonylContact C-O 3.39Å; G2639-F2661 WeakPolarHBondContact CA-O 3.39Å; G2640-F2661 PolarHBondContact N-O 3.09Å; G2640-F2661 PolarHBondContact O-N 2.99Å; F2642-F2661 AromaticContact CD1-CD1 3.99Å; F2642-F2661 HydrophobicContact CD1-CD1 4.05Å; F2642-F2661 AromaticContact CD1-CE1 3.89Å; F2642-F2661 HydrophobicContact CD1-CE1 3.89Å; F2642-F2661 HydrophobicContact CD2-CB 4.15Å; F2642-F2661 AromaticContact CD2-CD1 3.45Å; F2642-F2661 HydrophobicContact CD2-CD1 3.45Å; F2642-F2661 VanDerWaalsContact CD2-CD1 3.45Å; F2642-F2661 HydrophobicContact CD2-CE1 4.16Å; F2642-F2661 HydrophobicContact CD2-CG 4.08Å; F2642-F2661 AromaticContact CE1-CD1 3.94Å; F2642-F2661 HydrophobicContact CE1-CD1 3.96Å; F2642-F2661 AromaticContact CE1-CE1 3.8Å; F2642-F2661 HydrophobicContact CE1-CE1 3.8Å; F2642-F2661 HydrophobicContact CE1-CZ 4.33Å; F2642-F2661 HydrophobicContact CE2-CB 3.63Å; F2642-F2661 AromaticContact CE2-CD1 3.35Å; F2642-F2661 HydrophobicContact CE2-CD1 3.35Å; F2642-F2661 HydrophobicContact CE2-CD2 4.43Å; F2642-F2661 HydrophobicContact CE2-CE1 4.07Å; F2642-F2661 AromaticContact CE2-CG 3.56Å; F2642-F2661 HydrophobicContact CE2-CG 3.56Å; F2642-F2661 AromaticContact CG-CD1 3.8Å; F2642-F2661 HydrophobicContact CG-CD1 3.8Å; F2642-F2661 HydrophobicContact CG-CE1 4.06Å; F2642-F2661 HydrophobicContact CZ-CB 4.33Å; F2642-F2661 AromaticContact CZ-CD1 3.6Å; F2642-F2661 HydrophobicContact CZ-CD1 3.6Å; F2642-F2661 HydrophobicContact CZ-CD2 4.32Å; F2642-F2661 AromaticContact CZ-CE1 3.88Å; F2642-F2661 HydrophobicContact CZ-CE1 3.88Å; F2642-F2661 AromaticContact CZ-CG 3.84Å; F2642-F2661 HydrophobicContact CZ-CG 3.84Å; F2642-F2661 HydrophobicContact CZ-CZ 4.37Å; F2661-L2664 HydrophobicContact CE2-CB 4.43Å; F2661-I2710 HydrophobicContact CE1-CG2 4.48Å; F2661-I2710 HydrophobicContact CZ-CG2 4.45Å; F2661-L2717 HydrophobicContact CE2-CD1 3.94Å; F2661-L2717 HydrophobicContact CZ-CD1 4.46Å |
| 2662 | T | 94.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -104 | -19 | 169.9 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | T2718 | T2662-T2718 WeakPolarHBondContact O-CB 3.35Å; T2662-T2718 PolarHBondContact O-OG1 3.16Å |
| 2663 | T | 96.7 | Very high | 92.7 | Very high | 7.6 Ų | 7.6 | 56.2 Ų | 56.2 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 139 | 178.1 | -53 | 0 | 0 | 0 | 0 | 110.4 | L2611 F2614 N2665 T2718 Q2720 | L2611-T2663 HydrophobicContact CD1-CG2 3.95Å; L2611-T2663 WeakPolarHBondContact CD1-OG1 3.5Å; F2614-T2663 WeakPolarHBondContact CE1-OG1 3.37Å; T2663-N2665 WeakPolarHBondContact CG2-OD1 3.32Å; T2663-T2718 WeakPolarHBondContact CA-O 3.39Å; T2663-T2718 HydrophobicContact CG2-CG2 4.06Å; T2663-Q2720 HydrophobicContact CG2-CB 3.77Å |
| 2664 | L | 95.8 | Very high | 93 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.6 | 173.3 | 179.3 | 63 | 0 | 0 | 0 | 109.6 | F2642 F2661 V2666 L2678 Y2681 L2717 T2718 I2719 Q2720 M2748 | F2642-L2664 HydrophobicContact CE1-CD1 3.66Å; F2642-L2664 HydrophobicContact CZ-CD1 3.55Å; F2661-L2664 HydrophobicContact CE2-CB 4.43Å; L2664-V2666 HydrophobicContact CG-CG1 4.37Å; L2664-L2678 HydrophobicContact CD2-CD2 3.46Å; L2664-L2678 VanDerWaalsContact CD2-CD2 3.45Å; L2664-L2678 HydrophobicContact CG-CD2 4.4Å; L2664-Y2681 HydrophobicContact CD1-CD1 4.38Å; L2664-Y2681 HydrophobicContact CD1-CD2 4.48Å; L2664-Y2681 HydrophobicContact CD1-CE1 3.73Å; L2664-Y2681 HydrophobicContact CD1-CE2 3.96Å; L2664-Y2681 VanDerWaalsContact CD1-CZ 3.49Å; L2664-L2717 HydrophobicContact CB-CD1 4.35Å; L2664-L2717 HydrophobicContact CD2-CD1 4.43Å; L2664-L2717 HydrophobicContact CD2-CD2 4.44Å; L2664-T2718 PolarHBondContact N-O 3.14Å; L2664-I2719 HydrophobicContact CB-CG1 4.36Å; L2664-I2719 HydrophobicContact CD2-CD1 4.47Å; L2664-I2719 HydrophobicContact CD2-CG1 4.42Å; L2664-I2719 CarbonylContact O-C 3.46Å; L2664-I2719 VanDerWaalsContact O-CA 3.27Å; L2664-I2719 WeakPolarHBondContact O-CA 3.41Å; L2664-I2719 WeakPolarHBondContact O-CG2 3.32Å; L2664-Q2720 PolarHBondContact O-N 3.15Å; L2664-M2748 HydrophobicContact CD2-CE 4.26Å |
| 2665 | N | 94.9 | Very high | 93.2 | Very high | 49.8 Ų | 49.8 | 56 Ų | 56 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 105.8 | -168 | -54 | -27.2 | 0 | 0 | 0 | 110.9 | T2663 Y2681 Q2720 K2722 | T2663-N2665 WeakPolarHBondContact CG2-OD1 3.32Å; N2665-Y2681 PolarHBondContact N-OH 3.16Å; N2665-Y2681 PolarHBondContact O-OH 3.04Å; N2665-Q2720 PolarHBondContact OD1-OE1 2.97Å; N2665-K2722 VanDerWaalsContact C-CE 3.46Å; N2665-K2722 HydrophobicContact CB-CD 4.48Å; N2665-K2722 HydrophobicContact CB-CG 4.38Å; N2665-K2722 WeakPolarHBondContact O-CE 3.38Å; N2665-K2722 PolarHBondContact O-NZ 3.28Å |
| 2666 | V | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142.8 | -172.8 | -61.6 | 0 | 0 | 0 | 0 | 113.1 | L2664 L2674 L2678 Y2681 I2719 Q2720 L2721 K2722 | L2664-V2666 HydrophobicContact CG-CG1 4.37Å; V2666-L2674 HydrophobicContact CB-CD1 4.42Å; V2666-L2674 HydrophobicContact CG1-CD1 4.08Å; V2666-L2674 HydrophobicContact CG2-CD1 3.85Å; V2666-L2678 HydrophobicContact CG1-CD2 4.06Å; V2666-Y2681 HydrophobicContact CG1-CE2 4.23Å; V2666-I2719 HydrophobicContact CB-CG2 4.47Å; V2666-I2719 HydrophobicContact CG1-CG2 3.98Å; V2666-I2719 HydrophobicContact CG2-CG2 3.74Å; V2666-Q2720 WeakPolarHBondContact CG2-O 3.41Å; V2666-Q2720 PolarHBondContact N-O 3.12Å; V2666-L2721 HydrophobicContact CG2-CD2 3.54Å; V2666-K2722 WeakPolarHBondContact O-CB 3.38Å; V2666-K2722 WeakPolarHBondContact O-CG 3.26Å; V2666-K2722 PolarHBondContact O-N 3.19Å |
| 2667 | D | 91.7 | Very high | 93.3 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127 | -176.8 | -60 | -56.1 | 0 | 0 | 0 | 112.2 | H2671 S2677 K2722 | D2667-H2671 PolarHBondContact O-ND1 3.08Å; D2667-S2677 PolarHBondContact O-OG 3.09Å; D2667-K2722 VanDerWaalsContact CG-NZ 3.27Å; D2667-K2722 VanDerWaalsContact OD1-CD 3.3Å; D2667-K2722 WeakPolarHBondContact OD1-CD 3.35Å; D2667-K2722 VanDerWaalsContact OD1-CE 3.32Å; D2667-K2722 WeakPolarHBondContact OD1-CE 3.36Å; D2667-K2722 IonicContact OD1-NZ 3.73Å; D2667-K2722 PolarHBondContact OD1-NZ 2.98Å; D2667-K2722 IonicContact OD2-NZ 3.27Å; D2667-K2722 PolarHBondContact OD2-NZ 3.16Å; D2667-K2722 VanDerWaalsContact OD2-NZ 3.16Å |
| 2668 | V | 90.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | trans | -103.1 | -14.1 | -170.2 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | L2721 K2722 R2723 N2738 C2740 | V2668-L2721 HydrophobicContact CG2-CB 3.71Å; V2668-L2721 HydrophobicContact CG2-CD2 4.45Å; V2668-K2722 VanDerWaalsContact CG2-N 3.31Å; V2668-K2722 WeakPolarHBondContact CG2-O 3.3Å; V2668-R2723 HydrophobicContact CB-CG 4.44Å; V2668-R2723 HydrophobicContact CG1-CG 4.15Å; V2668-R2723 HydrophobicContact CG2-CG 4.16Å; V2668-N2738 HydrophobicContact CG1-CB 4.46Å; V2668-C2740 HydrophobicContact CG1-CB 3.81Å | ||
| 2669 | L | 88.2 | Confident | 93.1 | Very high | 78.6 Ų | 78.6 | 51.9 Ų | 51.9 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.1 | -50.3 | -178.1 | -79.1 | 175 | 0 | 0 | 0 | 112.1 | F2736 N2738 | L2669-F2736 HydrophobicContact CD1-CD2 4.02Å; L2669-F2736 HydrophobicContact CD1-CE1 4.5Å; L2669-F2736 HydrophobicContact CD1-CE2 3.72Å; L2669-F2736 HydrophobicContact CD1-CZ 4.03Å; L2669-F2736 HydrophobicContact CD2-CB 4Å; L2669-F2736 HydrophobicContact CD2-CD1 3.65Å; L2669-F2736 HydrophobicContact CD2-CD2 3.84Å; L2669-F2736 HydrophobicContact CD2-CE1 4.04Å; L2669-F2736 HydrophobicContact CD2-CE2 4.19Å; L2669-F2736 HydrophobicContact CD2-CG 3.55Å; L2669-F2736 HydrophobicContact CD2-CZ 4.29Å; L2669-F2736 HydrophobicContact CG-CD2 3.91Å; L2669-F2736 HydrophobicContact CG-CE2 4.15Å; L2669-F2736 HydrophobicContact CG-CG 4.13Å; L2669-N2738 PolarHBondContact O-ND2 3.38Å |
| 2670 | D | 85.5 | Confident | 92.8 | Very high | 137 Ų | 137 | 50.3 Ų | 50.3 | 73% | 0.733 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -90.1 | -11 | -170.5 | -54.3 | -62 | 0 | 0 | 0 | 113.8 | ||
| 2671 | H | 90.2 | Very high | 92.4 | Very high | 30.4 Ų | 30.4 | 49.3 Ų | 49.3 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | trans | -121.6 | 134.9 | -171.6 | -52.1 | 105.8 | 0 | 0 | 0 | 111.6 | D2667 D2676 S2677 | D2667-H2671 PolarHBondContact O-ND1 3.08Å; H2671-D2676 HydrophobicContact CB-CB 4.21Å; H2671-S2677 WeakPolarHBondContact CB-OG 3.45Å; H2671-S2677 PolarHBondContact ND1-OG 3.07Å | ||
| 2672 | R | 91.9 | Very high | 92 | Very high | 197.6 Ų | 197.6 | 49.2 Ų | 49.2 | 75% | 0.746 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -86.4 | -16.5 | 178.6 | -69.2 | -174.9 | 178 | -176.3 | 1 | 113.8 | C2740 E2741 | R2672-C2740 VanDerWaalsContact O-CA 3.32Å; R2672-C2740 WeakPolarHBondContact O-CA 3.41Å; R2672-E2741 PolarHBondContact O-N 3.13Å |
| 2673 | N | 94.3 | Very high | 91.7 | Very high | 28 Ų | 28 | 53.5 Ų | 53.5 | 15% | 0.15 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -145.2 | 161.5 | -178.2 | 67.4 | 65.9 | 0 | 0 | 0 | 110.6 | I2675 D2676 S2677 E2741 | N2673-I2675 VanDerWaalsContact C-N 3.3Å; N2673-I2675 PolarHBondContact O-N 3.13Å; N2673-I2675 WeakPolarHBondContact OD1-CA 3.33Å; N2673-I2675 VanDerWaalsContact OD1-CB 3.29Å; N2673-I2675 WeakPolarHBondContact OD1-CB 3.42Å; N2673-I2675 PolarHBondContact OD1-N 3.1Å; N2673-D2676 VanDerWaalsContact ND2-CG 3.31Å; N2673-D2676 PolarHBondContact ND2-OD1 2.89Å; N2673-D2676 PolarHBondContact ND2-OD2 2.89Å; N2673-D2676 VanDerWaalsContact OD1-CG 3.31Å; N2673-D2676 PolarHBondContact OD1-N 3.05Å; N2673-D2676 PolarHBondContact OD1-OD1 3.37Å; N2673-D2676 PolarHBondContact OD1-OD2 3.38Å; N2673-S2677 PolarHBondContact O-N 2.92Å; N2673-S2677 PolarHBondContact O-OG 2.91Å; N2673-S2677 VanDerWaalsContact O-OG 3.07Å; N2673-E2741 CarbonylContact C-O 3.5Å; N2673-E2741 WeakPolarHBondContact CA-O 3.39Å; N2673-E2741 HydrophobicContact CB-CG 3.39Å; N2673-E2741 VanDerWaalsContact CB-CG 3.42Å |
| 2674 | L | 95.5 | Very high | 91 | Very high | 0.2 Ų | 0.2 | 54 Ų | 54 | 0% | 0.001 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -30.7 | 178.9 | 176.3 | 61.8 | 0 | 0 | 0 | 113.6 | V2666 S2677 L2678 I2719 E2741 F2742 L2746 L2877 Y2879 | V2666-L2674 HydrophobicContact CB-CD1 4.42Å; V2666-L2674 HydrophobicContact CG1-CD1 4.08Å; V2666-L2674 HydrophobicContact CG2-CD1 3.85Å; L2674-S2677 WeakPolarHBondContact O-CB 3.5Å; L2674-S2677 PolarHBondContact O-N 2.99Å; L2674-L2678 HydrophobicContact CD1-CD1 4.15Å; L2674-L2678 HydrophobicContact CD1-CD2 4.45Å; L2674-L2678 HydrophobicContact CD1-CG 4Å; L2674-L2678 HydrophobicContact CD2-CD1 4.48Å; L2674-L2678 HydrophobicContact CG-CD1 3.9Å; L2674-L2678 HydrophobicContact CG-CG 4.22Å; L2674-L2678 WeakPolarHBondContact O-CB 3.38Å; L2674-L2678 VanDerWaalsContact O-CG 3.25Å; L2674-L2678 WeakPolarHBondContact O-CG 3.32Å; L2674-L2678 PolarHBondContact O-N 3.22Å; L2674-I2719 HydrophobicContact CD1-CD1 4.24Å; L2674-I2719 HydrophobicContact CD1-CG2 4.01Å; L2674-I2719 HydrophobicContact CD2-CD1 3.95Å; L2674-E2741 PolarHBondContact N-O 2.97Å; L2674-F2742 HydrophobicContact CB-CB 3.86Å; L2674-F2742 HydrophobicContact CD2-CB 3.9Å; L2674-L2746 HydrophobicContact CD2-CD2 4.07Å; L2674-L2877 HydrophobicContact CD2-CD1 4.19Å; L2674-Y2879 HydrophobicContact CD2-CE2 4.05Å |
| 2675 | I | 95 | Very high | 90.8 | Very high | 78.4 Ų | 78.4 | 59 Ų | 59 | 40% | 0.402 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | -176.2 | -62.7 | -174.8 | 0 | 0 | 0 | 110.2 | N2673 S2677 L2678 E2679 P2743 L2746 Y2751 | N2673-I2675 VanDerWaalsContact C-N 3.3Å; N2673-I2675 PolarHBondContact O-N 3.13Å; N2673-I2675 WeakPolarHBondContact OD1-CA 3.33Å; N2673-I2675 VanDerWaalsContact OD1-CB 3.29Å; N2673-I2675 WeakPolarHBondContact OD1-CB 3.42Å; N2673-I2675 PolarHBondContact OD1-N 3.1Å; I2675-S2677 VanDerWaalsContact C-N 3.33Å; I2675-S2677 PolarHBondContact O-N 3.04Å; I2675-L2678 PolarHBondContact O-N 3.19Å; I2675-E2679 WeakPolarHBondContact O-CB 3.38Å; I2675-E2679 PolarHBondContact O-N 3.02Å; I2675-P2743 HydrophobicContact CD1-CG 4.37Å; I2675-L2746 HydrophobicContact CD1-CD1 3.67Å; I2675-Y2751 WeakPolarHBondContact CG2-OH 3.35Å; I2675-Y2751 PolarHBondContact O-OH 3.34Å |
| 2676 | D | 94 | Very high | 90.7 | Very high | 70.2 Ų | 70.2 | 60.7 Ų | 60.7 | 38% | 0.375 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 175.5 | -60.5 | -20 | 0 | 0 | 0 | 111 | H2671 N2673 L2678 E2679 Q2680 | H2671-D2676 HydrophobicContact CB-CB 4.21Å; N2673-D2676 VanDerWaalsContact ND2-CG 3.31Å; N2673-D2676 PolarHBondContact ND2-OD1 2.89Å; N2673-D2676 PolarHBondContact ND2-OD2 2.89Å; N2673-D2676 VanDerWaalsContact OD1-CG 3.31Å; N2673-D2676 PolarHBondContact OD1-N 3.05Å; N2673-D2676 PolarHBondContact OD1-OD1 3.37Å; N2673-D2676 PolarHBondContact OD1-OD2 3.38Å; D2676-L2678 VanDerWaalsContact C-N 3.3Å; D2676-L2678 PolarHBondContact O-N 3.11Å; D2676-E2679 PolarHBondContact O-N 3.14Å; D2676-Q2680 PolarHBondContact O-N 3.08Å |
| 2677 | S | 92.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 178.2 | -46.7 | 0 | 0 | 0 | 0 | 113 | D2667 H2671 N2673 L2674 I2675 | D2667-S2677 PolarHBondContact O-OG 3.09Å; H2671-S2677 WeakPolarHBondContact CB-OG 3.45Å; H2671-S2677 PolarHBondContact ND1-OG 3.07Å; N2673-S2677 PolarHBondContact O-N 2.92Å; N2673-S2677 PolarHBondContact O-OG 2.91Å; N2673-S2677 VanDerWaalsContact O-OG 3.07Å; L2674-S2677 WeakPolarHBondContact O-CB 3.5Å; L2674-S2677 PolarHBondContact O-N 2.99Å; I2675-S2677 VanDerWaalsContact C-N 3.33Å; I2675-S2677 PolarHBondContact O-N 3.04Å |
| 2678 | L | 93.1 | Very high | 90.7 | Very high | 3.4 Ų | 3.4 | 65.4 Ų | 65.4 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.3 | -35.5 | 175.9 | -71.6 | 173.1 | 0 | 0 | 0 | 111.9 | L2664 V2666 L2674 I2675 D2676 Q2680 Y2681 L2746 M2748 Y2751 | L2664-L2678 HydrophobicContact CD2-CD2 3.46Å; L2664-L2678 VanDerWaalsContact CD2-CD2 3.45Å; L2664-L2678 HydrophobicContact CG-CD2 4.4Å; V2666-L2678 HydrophobicContact CG1-CD2 4.06Å; L2674-L2678 HydrophobicContact CD1-CD1 4.15Å; L2674-L2678 HydrophobicContact CD1-CD2 4.45Å; L2674-L2678 HydrophobicContact CD1-CG 4Å; L2674-L2678 HydrophobicContact CD2-CD1 4.48Å; L2674-L2678 HydrophobicContact CG-CD1 3.9Å; L2674-L2678 HydrophobicContact CG-CG 4.22Å; L2674-L2678 WeakPolarHBondContact O-CB 3.38Å; L2674-L2678 VanDerWaalsContact O-CG 3.25Å; L2674-L2678 WeakPolarHBondContact O-CG 3.32Å; L2674-L2678 PolarHBondContact O-N 3.22Å; I2675-L2678 PolarHBondContact O-N 3.19Å; D2676-L2678 VanDerWaalsContact C-N 3.3Å; D2676-L2678 PolarHBondContact O-N 3.11Å; L2678-Q2680 VanDerWaalsContact C-N 3.27Å; L2678-Q2680 PolarHBondContact O-N 3.17Å; L2678-Y2681 WeakPolarHBondContact O-CB 3.32Å; L2678-Y2681 PolarHBondContact O-N 3.26Å; L2678-L2746 HydrophobicContact CD1-CD1 3.94Å; L2678-L2746 HydrophobicContact CD1-CD2 4.35Å; L2678-M2748 HydrophobicContact CD1-CE 4.41Å; L2678-M2748 HydrophobicContact CD1-SD 4.04Å; L2678-M2748 HydrophobicContact CD2-CE 4.25Å; L2678-Y2751 VanDerWaalsContact C-CE1 3.47Å; L2678-Y2751 HydrophobicContact CB-CD1 3.93Å; L2678-Y2751 HydrophobicContact CB-CD2 4.2Å; L2678-Y2751 HydrophobicContact CB-CE1 3.62Å; L2678-Y2751 VanDerWaalsContact CB-CE1 3.49Å; L2678-Y2751 HydrophobicContact CB-CE2 3.91Å; L2678-Y2751 HydrophobicContact CB-CG 4.22Å; L2678-Y2751 HydrophobicContact CD1-CD2 4.24Å; L2678-Y2751 HydrophobicContact CD1-CE2 3.82Å; L2678-Y2751 HydrophobicContact CG-CE2 4.46Å; L2678-Y2751 WeakPolarHBondContact O-CD1 3.38Å |
| 2679 | E | 92 | Very high | 90.7 | Very high | 94 Ų | 94 | 68.2 Ų | 68.2 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -34.2 | 175.8 | -170.8 | 103.4 | -169.1 | 0 | 0 | 111.8 | I2675 D2676 Y2681 V2682 K2683 Y2751 | I2675-E2679 WeakPolarHBondContact O-CB 3.38Å; I2675-E2679 PolarHBondContact O-N 3.02Å; D2676-E2679 PolarHBondContact O-N 3.14Å; E2679-Y2681 VanDerWaalsContact C-N 3.3Å; E2679-Y2681 PolarHBondContact O-N 3.24Å; E2679-V2682 WeakPolarHBondContact O-CB 3.38Å; E2679-V2682 PolarHBondContact O-N 3.34Å; E2679-V2682 VanDerWaalsContact O-N 3.11Å; E2679-K2683 HydrophobicContact CG-CD 4.08Å; E2679-K2683 VanDerWaalsContact CG-CE 3.49Å; E2679-K2683 HydrophobicContact CG-CG 4.21Å; E2679-K2683 WeakPolarHBondContact O-CB 3.44Å; E2679-K2683 WeakPolarHBondContact O-CG 3.29Å; E2679-K2683 PolarHBondContact O-N 3.08Å; E2679-Y2751 HydrophobicContact CB-CE1 4.37Å |
| 2680 | Q | 88.2 | Confident | 90.9 | Very high | 84.2 Ų | 84.2 | 71.4 Ų | 71.4 | 39% | 0.393 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.5 | -30.1 | 179.7 | -173 | 58.5 | 19.5 | 0 | 0 | 113.8 | D2676 L2678 V2682 | D2676-Q2680 PolarHBondContact O-N 3.08Å; L2678-Q2680 VanDerWaalsContact C-N 3.27Å; L2678-Q2680 PolarHBondContact O-N 3.17Å; Q2680-V2682 VanDerWaalsContact C-N 3.31Å; Q2680-V2682 PolarHBondContact O-N 3.22Å |
| 2681 | Y | 85.2 | Confident | 91.3 | Very high | 52.4 Ų | 52.4 | 71.2 Ų | 71.2 | 21% | 0.205 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 171.8 | -89.8 | -100 | 0 | 0 | 0 | 111.7 | F2642 L2664 N2665 V2666 L2678 E2679 M2708 | F2642-Y2681 HydrophobicContact CE1-CD1 4.29Å; F2642-Y2681 AromaticContact CE1-CE1 3.92Å; F2642-Y2681 HydrophobicContact CE1-CE1 3.96Å; F2642-Y2681 AromaticContact CZ-CE1 3.94Å; F2642-Y2681 HydrophobicContact CZ-CE1 4.05Å; L2664-Y2681 HydrophobicContact CD1-CD1 4.38Å; L2664-Y2681 HydrophobicContact CD1-CD2 4.48Å; L2664-Y2681 HydrophobicContact CD1-CE1 3.73Å; L2664-Y2681 HydrophobicContact CD1-CE2 3.96Å; L2664-Y2681 VanDerWaalsContact CD1-CZ 3.49Å; N2665-Y2681 PolarHBondContact N-OH 3.16Å; N2665-Y2681 PolarHBondContact O-OH 3.04Å; V2666-Y2681 HydrophobicContact CG1-CE2 4.23Å; L2678-Y2681 WeakPolarHBondContact O-CB 3.32Å; L2678-Y2681 PolarHBondContact O-N 3.26Å; E2679-Y2681 VanDerWaalsContact C-N 3.3Å; E2679-Y2681 PolarHBondContact O-N 3.24Å; Y2681-M2708 CarbonylContact C-O 3.51Å; Y2681-M2708 VanDerWaalsContact C-O 3.3Å; Y2681-M2708 WeakPolarHBondContact CB-O 3.38Å; Y2681-M2708 HydrophobicContact CD1-CB 4.12Å; Y2681-M2708 HydrophobicContact CD1-CE 4.13Å; Y2681-M2708 HydrophobicContact CD1-CG 4.11Å; Y2681-M2708 HydrophobicContact CE1-CE 3.82Å; Y2681-M2708 HydrophobicContact CE1-CG 4.46Å; Y2681-M2708 PolarHBondContact O-N 3.1Å; Y2681-M2708 VanDerWaalsContact O-N 3.09Å |
| 2682 | V | 88.6 | Confident | 91.4 | Very high | 15.2 Ų | 15.2 | 70.2 Ų | 70.2 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -85.4 | -38 | -169 | 167.5 | 0 | 0 | 0 | 0 | 112.8 | E2679 Q2680 G2684 R2707 C2709 Y2751 L2756 | E2679-V2682 WeakPolarHBondContact O-CB 3.38Å; E2679-V2682 PolarHBondContact O-N 3.34Å; E2679-V2682 VanDerWaalsContact O-N 3.11Å; Q2680-V2682 VanDerWaalsContact C-N 3.31Å; Q2680-V2682 PolarHBondContact O-N 3.22Å; V2682-G2684 VanDerWaalsContact C-N 3.25Å; V2682-G2684 PolarHBondContact O-N 3.18Å; V2682-R2707 WeakPolarHBondContact O-CB 3.35Å; V2682-R2707 WeakPolarHBondContact O-CD 3.32Å; V2682-C2709 HydrophobicContact CG2-CB 4.35Å; V2682-Y2751 HydrophobicContact CG2-CD1 3.9Å; V2682-Y2751 HydrophobicContact CG2-CG 4.4Å; V2682-L2756 HydrophobicContact CG1-CD1 3.91Å; V2682-L2756 HydrophobicContact CG1-CD2 3.36Å; V2682-L2756 VanDerWaalsContact CG1-CD2 3.42Å; V2682-L2756 HydrophobicContact CG1-CG 4.14Å; V2682-L2756 HydrophobicContact CG2-CD1 4.39Å; V2682-L2756 HydrophobicContact CG2-CD2 4.44Å |
| 2683 | K | 87.8 | Confident | 91.4 | Very high | 126.6 Ų | 126.6 | 63.5 Ų | 63.5 | 55% | 0.55 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -52.8 | -42.1 | 176.2 | -140.9 | 174.9 | 178.1 | 172.6 | 0 | 111.8 | E2679 | E2679-K2683 HydrophobicContact CG-CD 4.08Å; E2679-K2683 VanDerWaalsContact CG-CE 3.49Å; E2679-K2683 HydrophobicContact CG-CG 4.21Å; E2679-K2683 WeakPolarHBondContact O-CB 3.44Å; E2679-K2683 WeakPolarHBondContact O-CG 3.29Å; E2679-K2683 PolarHBondContact O-N 3.08Å |
| 2684 | G | 83 | Confident | 91.4 | Very high | 19.8 Ų | 19.8 | 66.2 Ų | 66.2 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | trans | 72.9 | 179.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V2682 K2706 | V2682-G2684 VanDerWaalsContact C-N 3.25Å; V2682-G2684 PolarHBondContact O-N 3.18Å; G2684-K2706 CarbonylContact C-O 3.51Å; G2684-K2706 WeakPolarHBondContact CA-O 3.39Å | ||
| 2685 | E | 89.9 | Confident | 91.2 | Very high | 105.8 Ų | 105.8 | 66.2 Ų | 66.2 | 49% | 0.494 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.4 | -178.1 | -75.7 | 173.3 | 161 | 0 | 0 | 109.3 | L2687 K2706 | E2685-L2687 HydrophobicContact CB-CD2 4.45Å; E2685-L2687 HydrophobicContact CG-CD2 3.98Å; E2685-L2687 HydrophobicContact CG-CG 4.41Å; E2685-K2706 PolarHBondContact N-O 3.16Å; E2685-K2706 PolarHBondContact O-N 3.1Å; E2685-K2706 IonicContact OE2-NZ 2.98Å; E2685-K2706 PolarHBondContact OE2-NZ 3.13Å; E2685-K2706 VanDerWaalsContact OE2-NZ 3.16Å |
| 2686 | L | 92.9 | Very high | 91 | Very high | 86 Ų | 86 | 71.2 Ų | 71.2 | 45% | 0.45 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 113.4 | 170.2 | 179.6 | 62.4 | 0 | 0 | 0 | 109 | L2649 E2688 | L2649-L2686 HydrophobicContact CD1-CD1 3.64Å; L2686-E2688 HydrophobicContact CD2-CG 4.38Å; L2686-E2688 HydrophobicContact CG-CB 4.31Å; L2686-E2688 HydrophobicContact CG-CG 4.26Å |
| 2687 | L | 93.6 | Very high | 90.9 | Very high | 43.2 Ų | 43.2 | 72.6 Ų | 72.6 | 23% | 0.226 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 100.7 | 176.2 | -60.8 | -177.3 | 0 | 0 | 0 | 109.1 | E2685 A2692 P2703 I2704 K2706 | E2685-L2687 HydrophobicContact CB-CD2 4.45Å; E2685-L2687 HydrophobicContact CG-CD2 3.98Å; E2685-L2687 HydrophobicContact CG-CG 4.41Å; L2687-A2692 WeakPolarHBondContact O-CA 3.32Å; L2687-P2703 VanDerWaalsContact O-CA 3.28Å; L2687-P2703 WeakPolarHBondContact O-CA 3.37Å; L2687-I2704 HydrophobicContact CB-CG1 3.91Å; L2687-I2704 HydrophobicContact CD1-CD1 4.14Å; L2687-I2704 HydrophobicContact CD1-CG1 4.09Å; L2687-I2704 HydrophobicContact CG-CG1 4.33Å; L2687-I2704 PolarHBondContact N-O 3.25Å; L2687-I2704 PolarHBondContact O-N 3.2Å; L2687-I2704 VanDerWaalsContact O-N 3.12Å; L2687-K2706 HydrophobicContact CD1-CB 4.16Å; L2687-K2706 HydrophobicContact CD1-CD 4.23Å; L2687-K2706 HydrophobicContact CG-CB 4.45Å |
| 2688 | E | 92.9 | Very high | 90.7 | Very high | 117.6 Ų | 117.6 | 74.5 Ų | 74.5 | 55% | 0.55 | 38% | 0.378 | S | S | . | . | trans | -130.7 | 177.8 | -175.5 | 65.8 | 177.1 | 175.1 | 0 | 0 | 113.3 | L2686 D2690 N2691 A2692 P2703 | L2686-E2688 HydrophobicContact CD2-CG 4.38Å; L2686-E2688 HydrophobicContact CG-CB 4.31Å; L2686-E2688 HydrophobicContact CG-CG 4.26Å; E2688-D2690 PolarHBondContact O-N 2.94Å; E2688-N2691 CarbonylContact O-C 3.55Å; E2688-N2691 WeakPolarHBondContact O-CA 3.3Å; E2688-N2691 WeakPolarHBondContact O-CB 3.3Å; E2688-N2691 PolarHBondContact O-N 3.21Å; E2688-A2692 PolarHBondContact O-N 3.15Å; E2688-P2703 HydrophobicContact CB-CB 4.27Å | ||
| 2689 | G | 91.2 | Very high | 90.6 | Very high | 60.8 Ų | 60.8 | 80.4 Ų | 80.4 | 63% | 0.627 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | 58.5 | -134.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N2691 A2692 | G2689-N2691 PolarHBondContact O-N 3.19Å; G2689-A2692 WeakPolarHBondContact O-CB 3.3Å; G2689-A2692 PolarHBondContact O-N 3.06Å; G2689-A2692 VanDerWaalsContact O-N 3.11Å |
| 2690 | D | 92.2 | Very high | 90.6 | Very high | 145.4 Ų | 145.4 | 80.7 Ų | 80.7 | 78% | 0.778 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -65.5 | -23.1 | 175.7 | -70.7 | -43.8 | 0 | 0 | 0 | 113.1 | E2688 A2692 K2701 | E2688-D2690 PolarHBondContact O-N 2.94Å; D2690-A2692 VanDerWaalsContact C-N 3.31Å; D2690-K2701 PolarHBondContact O-NZ 3.1Å |
| 2691 | N | 92.3 | Very high | 90.9 | Very high | 132.8 Ų | 132.8 | 82.5 Ų | 82.5 | 71% | 0.71 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -86 | 0.1 | 175.7 | -68.3 | -21.1 | 0 | 0 | 0 | 113.2 | E2688 G2689 Y2693 | E2688-N2691 CarbonylContact O-C 3.55Å; E2688-N2691 WeakPolarHBondContact O-CA 3.3Å; E2688-N2691 WeakPolarHBondContact O-CB 3.3Å; E2688-N2691 PolarHBondContact O-N 3.21Å; G2689-N2691 PolarHBondContact O-N 3.19Å; N2691-Y2693 PolarHBondContact O-N 3.2Å |
| 2692 | A | 93 | Very high | 91.3 | Very high | 10 Ų | 10 | 80.1 Ų | 80.1 | 8% | 0.083 | 41% | 0.407 | C | S | . | . | trans | -57.4 | 135.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L2687 E2688 G2689 D2690 K2701 | L2687-A2692 WeakPolarHBondContact O-CA 3.32Å; E2688-A2692 PolarHBondContact O-N 3.15Å; G2689-A2692 WeakPolarHBondContact O-CB 3.3Å; G2689-A2692 PolarHBondContact O-N 3.06Å; G2689-A2692 VanDerWaalsContact O-N 3.11Å; D2690-A2692 VanDerWaalsContact C-N 3.31Å; A2692-K2701 HydrophobicContact CB-CB 4.08Å; A2692-K2701 HydrophobicContact CB-CD 4.45Å; A2692-K2701 WeakPolarHBondContact O-CD 3.33Å; A2692-K2701 WeakPolarHBondContact O-CG 3.31Å | ||
| 2693 | Y | 92.4 | Very high | 91.6 | Very high | 57.4 Ų | 57.4 | 80.9 Ų | 80.9 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 136.7 | -173.9 | 175.6 | -99 | 0 | 0 | 0 | 112 | K2646 Y2655 N2691 C2695 K2701 I2702 I2704 | K2646-Y2693 HydrophobicContact CD-CE2 4.22Å; Y2655-Y2693 AromaticContact CD2-CE1 3.93Å; Y2655-Y2693 HydrophobicContact CD2-CE1 3.93Å; Y2655-Y2693 AromaticContact CE2-CE1 3.83Å; Y2655-Y2693 HydrophobicContact CE2-CE1 3.83Å; N2691-Y2693 PolarHBondContact O-N 3.2Å; Y2693-C2695 PolarHBondContact O-N 3.07Å; Y2693-C2695 VanDerWaalsContact O-N 3.09Å; Y2693-K2701 CarbonylContact O-C 3.54Å; Y2693-K2701 WeakPolarHBondContact O-CA 3.32Å; Y2693-I2702 PolarHBondContact N-O 3.06Å; Y2693-I2702 VanDerWaalsContact N-O 3.15Å; Y2693-I2702 PolarHBondContact O-N 3.16Å; Y2693-I2704 VanDerWaalsContact CB-CD1 3.46Å; Y2693-I2704 HydrophobicContact CD1-CD1 3.99Å; Y2693-I2704 HydrophobicContact CD1-CG2 4.06Å; Y2693-I2704 HydrophobicContact CD2-CD1 4.13Å; Y2693-I2704 HydrophobicContact CG-CD1 3.62Å; Y2693-I2704 HydrophobicContact CG-CG1 4.29Å; Y2693-I2704 HydrophobicContact CG-CG2 4.32Å |
| 2694 | H | 93.3 | Very high | 91.8 | Very high | 84.6 Ų | 84.6 | 74.9 Ų | 74.9 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 101.1 | 175.2 | -175.6 | 86.3 | 0 | 0 | 0 | 110.7 | R2696 N2699 | H2694-R2696 PolarHBondContact O-N 3.32Å; H2694-R2696 VanDerWaalsContact O-N 3.13Å; H2694-N2699 VanDerWaalsContact CE1-C 3.47Å; H2694-N2699 PolarHBondContact CE1-O 3.06Å; H2694-N2699 PolarHBondContact CE1-OD1 3.16Å; H2694-N2699 VanDerWaalsContact CE1-OD1 3.26Å; H2694-N2699 PolarHBondContact NE2-OD1 3.07Å |
| 2695 | C | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 105.1 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | Y2655 Y2693 L2697 C2698 N2699 K2700 I2702 | Y2655-C2695 PolarHBondContact OH-SG 3.18Å; Y2693-C2695 PolarHBondContact O-N 3.07Å; Y2693-C2695 VanDerWaalsContact O-N 3.09Å; C2695-L2697 VanDerWaalsContact C-N 3.26Å; C2695-L2697 PolarHBondContact O-N 3.08Å; C2695-L2697 VanDerWaalsContact O-N 3.14Å; C2695-C2698 HydrophobicContact CB-CB 4.24Å; C2695-C2698 CarbonylContact O-C 3.52Å; C2695-C2698 PolarHBondContact O-N 2.93Å; C2695-C2698 VanDerWaalsContact O-N 3.09Å; C2695-N2699 WeakPolarHBondContact O-CA 3.44Å; C2695-N2699 PolarHBondContact O-N 3.13Å; C2695-K2700 PolarHBondContact N-O 3.17Å; C2695-I2702 HydrophobicContact CB-CD1 3.5Å; C2695-I2702 VanDerWaalsContact CB-CD1 3.4Å; C2695-I2702 HydrophobicContact CB-CG1 3.96Å |
| 2696 | R | 90.7 | Very high | 92.4 | Very high | 183.8 Ų | 183.8 | 74.3 Ų | 74.3 | 69% | 0.694 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -38.1 | -175.6 | -60.7 | -177.7 | -173 | 178.1 | 1.4 | 113.2 | Y2655 H2694 C2698 N2699 | Y2655-R2696 PolarHBondContact OH-N 3.15Å; H2694-R2696 PolarHBondContact O-N 3.32Å; H2694-R2696 VanDerWaalsContact O-N 3.13Å; R2696-C2698 VanDerWaalsContact C-N 3.35Å; R2696-C2698 PolarHBondContact O-N 2.89Å; R2696-N2699 PolarHBondContact O-N 3.14Å |
| 2697 | L | 90.2 | Very high | 92.3 | Very high | 98.4 Ų | 98.4 | 71.6 Ų | 71.6 | 52% | 0.515 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -26.2 | -178.5 | -64 | 168.7 | 0 | 0 | 0 | 113.5 | H2653 Y2655 C2695 V2770 | H2653-L2697 HydrophobicContact CB-CD1 4.32Å; H2653-L2697 VanDerWaalsContact CD2-CD1 3.43Å; H2653-L2697 WeakPolarHBondContact CD2-CD1 3.41Å; H2653-L2697 VanDerWaalsContact CE1-CB 3.44Å; H2653-L2697 WeakPolarHBondContact CE1-CB 3.46Å; Y2655-L2697 HydrophobicContact CE1-CD1 4.22Å; Y2655-L2697 HydrophobicContact CE1-CG 4.47Å; Y2655-L2697 WeakPolarHBondContact OH-CG 3.28Å; Y2655-L2697 PolarHBondContact OH-N 3.07Å; C2695-L2697 VanDerWaalsContact C-N 3.26Å; C2695-L2697 PolarHBondContact O-N 3.08Å; C2695-L2697 VanDerWaalsContact O-N 3.14Å; L2697-V2770 HydrophobicContact CD1-CB 4.18Å; L2697-V2770 HydrophobicContact CD1-CG1 4.14Å; L2697-V2770 HydrophobicContact CD1-CG2 3.75Å |
| 2698 | C | 90.5 | Very high | 92.2 | Very high | 43.8 Ų | 43.8 | 72 Ų | 72 | 30% | 0.296 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -8.9 | 172.6 | -64.9 | 0 | 0 | 0 | 0 | 113.5 | C2651 H2653 C2695 R2696 K2700 I2702 | C2651-C2698 VanDerWaalsContact SG-SG 3.65Å; H2653-C2698 PolarHBondContact CE1-SG 3.11Å; H2653-C2698 PolarHBondContact ND1-SG 3.17Å; C2695-C2698 HydrophobicContact CB-CB 4.24Å; C2695-C2698 CarbonylContact O-C 3.52Å; C2695-C2698 PolarHBondContact O-N 2.93Å; C2695-C2698 VanDerWaalsContact O-N 3.09Å; R2696-C2698 VanDerWaalsContact C-N 3.35Å; R2696-C2698 PolarHBondContact O-N 2.89Å; C2698-K2700 HydrophobicContact CB-CD 4.27Å; C2698-K2700 HydrophobicContact CB-CG 3.79Å; C2698-K2700 PolarHBondContact O-N 3.1Å; C2698-I2702 HydrophobicContact CB-CD1 3.93Å |
| 2699 | N | 91 | Very high | 92.2 | Very high | 127.4 Ų | 127.4 | 66.5 Ų | 66.5 | 68% | 0.681 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 38.1 | -171.8 | -163.5 | 27.7 | 0 | 0 | 0 | 114.3 | H2694 C2695 R2696 | H2694-N2699 VanDerWaalsContact CE1-C 3.47Å; H2694-N2699 PolarHBondContact CE1-O 3.06Å; H2694-N2699 PolarHBondContact CE1-OD1 3.16Å; H2694-N2699 VanDerWaalsContact CE1-OD1 3.26Å; H2694-N2699 PolarHBondContact NE2-OD1 3.07Å; C2695-N2699 WeakPolarHBondContact O-CA 3.44Å; C2695-N2699 PolarHBondContact O-N 3.13Å; R2696-N2699 PolarHBondContact O-N 3.14Å |
| 2700 | K | 91.9 | Very high | 92.4 | Very high | 99.4 Ų | 99.4 | 63.9 Ų | 63.9 | 43% | 0.432 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 155.1 | 179 | 67.8 | 176 | -178.5 | 164.4 | 0 | 111.3 | C2695 C2698 I2702 | C2695-K2700 PolarHBondContact N-O 3.17Å; C2698-K2700 HydrophobicContact CB-CD 4.27Å; C2698-K2700 HydrophobicContact CB-CG 3.79Å; C2698-K2700 PolarHBondContact O-N 3.1Å; K2700-I2702 HydrophobicContact CD-CD1 4.24Å; K2700-I2702 HydrophobicContact CD-CG1 4.12Å; K2700-I2702 HydrophobicContact CG-CD1 3.9Å; K2700-I2702 HydrophobicContact CG-CG1 3.66Å |
| 2701 | K | 94.2 | Very high | 92.5 | Very high | 122.8 Ų | 122.8 | 61.1 Ų | 61.1 | 53% | 0.534 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 134.8 | 164.4 | -76.4 | -168.2 | 174.2 | -176.7 | 0 | 109.3 | D2690 A2692 Y2693 | D2690-K2701 PolarHBondContact O-NZ 3.1Å; A2692-K2701 HydrophobicContact CB-CB 4.08Å; A2692-K2701 HydrophobicContact CB-CD 4.45Å; A2692-K2701 WeakPolarHBondContact O-CD 3.33Å; A2692-K2701 WeakPolarHBondContact O-CG 3.31Å; Y2693-K2701 CarbonylContact O-C 3.54Å; Y2693-K2701 WeakPolarHBondContact O-CA 3.32Å |
| 2702 | I | 92.4 | Very high | 92.7 | Very high | 0.8 Ų | 0.8 | 58.8 Ų | 58.8 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 140.6 | -179.7 | -51.5 | -175.7 | 0 | 0 | 0 | 107.8 | C2648 D2650 C2651 Y2693 C2695 C2698 K2700 I2704 | C2648-I2702 HydrophobicContact CB-CG2 4.37Å; D2650-I2702 HydrophobicContact CB-CG2 3.78Å; C2651-I2702 HydrophobicContact CB-CD1 4.04Å; C2651-I2702 WeakPolarHBondContact SG-CD1 3.42Å; Y2693-I2702 PolarHBondContact N-O 3.06Å; Y2693-I2702 VanDerWaalsContact N-O 3.15Å; Y2693-I2702 PolarHBondContact O-N 3.16Å; C2695-I2702 HydrophobicContact CB-CD1 3.5Å; C2695-I2702 VanDerWaalsContact CB-CD1 3.4Å; C2695-I2702 HydrophobicContact CB-CG1 3.96Å; C2698-I2702 HydrophobicContact CB-CD1 3.93Å; K2700-I2702 HydrophobicContact CD-CD1 4.24Å; K2700-I2702 HydrophobicContact CD-CG1 4.12Å; K2700-I2702 HydrophobicContact CG-CD1 3.9Å; K2700-I2702 HydrophobicContact CG-CG1 3.66Å; I2702-I2704 WeakPolarHBondContact O-CG2 3.34Å; I2702-I2704 PolarHBondContact O-N 3.15Å |
| 2703 | P | 95 | Very high | 92.8 | Very high | 32.8 Ų | 32.8 | 59.3 Ų | 59.3 | 21% | 0.213 | 28% | 0.277 | C | S | . | . | trans | -57.6 | 130 | 165.7 | 25.6 | -35.1 | 0 | 0 | 0 | 110.8 | L2649 D2650 L2687 E2688 | L2649-P2703 HydrophobicContact CB-CG 4.44Å; L2649-P2703 HydrophobicContact CD1-CB 4.33Å; L2649-P2703 PolarHBondContact N-O 3.17Å; D2650-P2703 VanDerWaalsContact OD2-CD 3.25Å; D2650-P2703 WeakPolarHBondContact OD2-CD 3.4Å; D2650-P2703 VanDerWaalsContact OD2-CG 3.26Å; D2650-P2703 WeakPolarHBondContact OD2-CG 3.45Å; L2687-P2703 VanDerWaalsContact O-CA 3.28Å; L2687-P2703 WeakPolarHBondContact O-CA 3.37Å; E2688-P2703 HydrophobicContact CB-CB 4.27Å | ||
| 2704 | I | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.3 | 177.1 | 74.1 | 159.3 | 0 | 0 | 0 | 111.3 | K2646 I2647 C2648 L2687 Y2693 I2702 K2706 | K2646-I2704 HydrophobicContact CB-CD1 3.62Å; K2646-I2704 HydrophobicContact CD-CD1 4.47Å; K2646-I2704 HydrophobicContact CG-CD1 3.73Å; I2647-I2704 CarbonylContact O-C 3.5Å; I2647-I2704 VanDerWaalsContact O-CA 3.26Å; I2647-I2704 WeakPolarHBondContact O-CA 3.29Å; I2647-I2704 WeakPolarHBondContact O-CB 3.37Å; C2648-I2704 HydrophobicContact CB-CG2 4.24Å; C2648-I2704 VanDerWaalsContact SG-CG2 3.58Å; L2687-I2704 HydrophobicContact CB-CG1 3.91Å; L2687-I2704 HydrophobicContact CD1-CD1 4.14Å; L2687-I2704 HydrophobicContact CD1-CG1 4.09Å; L2687-I2704 HydrophobicContact CG-CG1 4.33Å; L2687-I2704 PolarHBondContact N-O 3.25Å; L2687-I2704 PolarHBondContact O-N 3.2Å; L2687-I2704 VanDerWaalsContact O-N 3.12Å; Y2693-I2704 VanDerWaalsContact CB-CD1 3.46Å; Y2693-I2704 HydrophobicContact CD1-CD1 3.99Å; Y2693-I2704 HydrophobicContact CD1-CG2 4.06Å; Y2693-I2704 HydrophobicContact CD2-CD1 4.13Å; Y2693-I2704 HydrophobicContact CG-CD1 3.62Å; Y2693-I2704 HydrophobicContact CG-CG1 4.29Å; Y2693-I2704 HydrophobicContact CG-CG2 4.32Å; I2702-I2704 WeakPolarHBondContact O-CG2 3.34Å; I2702-I2704 PolarHBondContact O-N 3.15Å; I2704-K2706 HydrophobicContact CD1-CB 4.43Å |
| 2705 | L | 92.5 | Very high | 93.2 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.3 | 161.2 | -177.1 | 65 | 0 | 0 | 0 | 108.4 | I2647 L2649 | I2647-L2705 HydrophobicContact CB-CB 4.48Å; I2647-L2705 PolarHBondContact N-O 3.25Å; I2647-L2705 PolarHBondContact O-N 2.89Å; L2649-L2705 HydrophobicContact CD2-CB 4.41Å |
| 2706 | K | 92.3 | Very high | 93.4 | Very high | 64.6 Ų | 64.6 | 53.3 Ų | 53.3 | 28% | 0.281 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 117.9 | 172.2 | 179.8 | -162.5 | 162.3 | -148.8 | 0 | 108.6 | Q2645 K2646 G2684 E2685 L2687 I2704 | Q2645-K2706 CarbonylContact O-C 3.55Å; Q2645-K2706 WeakPolarHBondContact O-CA 3.29Å; K2646-K2706 HydrophobicContact CG-CB 4.43Å; K2646-K2706 HydrophobicContact CG-CG 4.13Å; G2684-K2706 CarbonylContact C-O 3.51Å; G2684-K2706 WeakPolarHBondContact CA-O 3.39Å; E2685-K2706 PolarHBondContact N-O 3.16Å; E2685-K2706 PolarHBondContact O-N 3.1Å; E2685-K2706 IonicContact OE2-NZ 2.98Å; E2685-K2706 PolarHBondContact OE2-NZ 3.13Å; E2685-K2706 VanDerWaalsContact OE2-NZ 3.16Å; L2687-K2706 HydrophobicContact CD1-CB 4.16Å; L2687-K2706 HydrophobicContact CD1-CD 4.23Å; L2687-K2706 HydrophobicContact CG-CB 4.45Å; I2704-K2706 HydrophobicContact CD1-CB 4.43Å |
| 2707 | R | 91.2 | Very high | 93.8 | Very high | 29.8 Ų | 29.8 | 44.6 Ų | 44.6 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 153 | 179 | 67 | 179.2 | -175.7 | -177.4 | 1.6 | 112.3 | Q2645 V2682 | Q2645-R2707 HydrophobicContact CB-CG 4.11Å; Q2645-R2707 PolarHBondContact N-O 3.31Å; Q2645-R2707 PolarHBondContact O-N 3.26Å; V2682-R2707 WeakPolarHBondContact O-CB 3.35Å; V2682-R2707 WeakPolarHBondContact O-CD 3.32Å |
| 2708 | M | 91.7 | Very high | 94.2 | Very high | 50.8 Ų | 50.8 | 39.9 Ų | 39.9 | 25% | 0.25 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.3 | 174.4 | -83 | 177.6 | 69.9 | 0 | 0 | 109.9 | F2642 D2644 Y2681 | F2642-M2708 HydrophobicContact CB-CE 4.05Å; F2642-M2708 HydrophobicContact CB-CG 3.99Å; F2642-M2708 HydrophobicContact CB-SD 4.09Å; F2642-M2708 HydrophobicContact CD1-CE 4.31Å; F2642-M2708 HydrophobicContact CD1-CG 3.86Å; F2642-M2708 HydrophobicContact CD1-SD 4.31Å; F2642-M2708 HydrophobicContact CD2-CE 3.85Å; F2642-M2708 HydrophobicContact CD2-SD 4.09Å; F2642-M2708 HydrophobicContact CE2-CE 4.36Å; F2642-M2708 HydrophobicContact CG-CE 3.83Å; F2642-M2708 HydrophobicContact CG-CG 3.95Å; F2642-M2708 HydrophobicContact CG-SD 3.92Å; D2644-M2708 HydrophobicContact CB-CG 4.45Å; Y2681-M2708 CarbonylContact C-O 3.51Å; Y2681-M2708 VanDerWaalsContact C-O 3.3Å; Y2681-M2708 WeakPolarHBondContact CB-O 3.38Å; Y2681-M2708 HydrophobicContact CD1-CB 4.12Å; Y2681-M2708 HydrophobicContact CD1-CE 4.13Å; Y2681-M2708 HydrophobicContact CD1-CG 4.11Å; Y2681-M2708 HydrophobicContact CE1-CE 3.82Å; Y2681-M2708 HydrophobicContact CE1-CG 4.46Å; Y2681-M2708 PolarHBondContact O-N 3.1Å; Y2681-M2708 VanDerWaalsContact O-N 3.09Å |
| 2709 | C | 92.8 | Very high | 94.5 | Very high | 1.8 Ų | 1.8 | 37.8 Ų | 37.8 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 158.6 | -179.7 | 53 | 0 | 0 | 0 | 0 | 110.4 | F2642 A2643 Q2645 V2682 V2753 L2756 | F2642-C2709 CarbonylContact C-O 3.51Å; F2642-C2709 WeakPolarHBondContact CA-O 3.37Å; A2643-C2709 PolarHBondContact N-O 3.15Å; A2643-C2709 PolarHBondContact O-N 2.94Å; A2643-C2709 VanDerWaalsContact O-N 3.11Å; A2643-C2709 PolarHBondContact O-SG 3.18Å; A2643-C2709 VanDerWaalsContact O-SG 3.38Å; Q2645-C2709 VanDerWaalsContact CD-SG 3.55Å; Q2645-C2709 PolarHBondContact NE2-SG 3.05Å; Q2645-C2709 VanDerWaalsContact NE2-SG 3.38Å; V2682-C2709 HydrophobicContact CG2-CB 4.35Å; C2709-V2753 HydrophobicContact CB-CG2 4.47Å; C2709-V2753 VanDerWaalsContact SG-CG2 3.58Å; C2709-L2756 HydrophobicContact CB-CD1 3.43Å; C2709-L2756 VanDerWaalsContact CB-CD1 3.45Å |
| 2710 | I | 94.9 | Very high | 94.8 | Very high | 7.2 Ų | 7.2 | 33 Ų | 33 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.9 | -173.3 | -60.2 | 172.6 | 0 | 0 | 0 | 110.2 | F2642 F2661 K2712 L2713 M2748 Y2751 T2752 V2753 | F2642-I2710 HydrophobicContact CD1-CG1 4.27Å; F2642-I2710 HydrophobicContact CE1-CG1 4.26Å; F2661-I2710 HydrophobicContact CE1-CG2 4.48Å; F2661-I2710 HydrophobicContact CZ-CG2 4.45Å; I2710-K2712 VanDerWaalsContact CG2-O 3.31Å; I2710-K2712 WeakPolarHBondContact CG2-O 3.41Å; I2710-L2713 HydrophobicContact CD1-CD2 4.17Å; I2710-L2713 HydrophobicContact CG2-CD2 3.81Å; I2710-L2713 HydrophobicContact CG2-CG 3.95Å; I2710-M2748 HydrophobicContact CD1-CE 3.43Å; I2710-M2748 VanDerWaalsContact CD1-CE 3.43Å; I2710-Y2751 PolarHBondContact N-O 2.94Å; I2710-T2752 HydrophobicContact CB-CG2 4.49Å; I2710-T2752 CarbonylContact O-C 3.46Å; I2710-T2752 VanDerWaalsContact O-CA 3.23Å; I2710-T2752 WeakPolarHBondContact O-CA 3.33Å; I2710-V2753 PolarHBondContact O-N 3.17Å |
| 2711 | Q | 94.6 | Very high | 95.1 | Very high | 86.6 Ų | 86.6 | 28.2 Ų | 28.2 | 41% | 0.405 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -40.3 | 176.1 | 178.4 | 61.6 | 67.2 | 0 | 0 | 112.2 | K2641 A2643 Y2658 V2753 | K2641-Q2711 HydrophobicContact CB-CB 4.46Å; K2641-Q2711 WeakPolarHBondContact O-CA 3.39Å; K2641-Q2711 PolarHBondContact O-N 3.13Å; A2643-Q2711 HydrophobicContact CB-CB 4.22Å; Y2658-Q2711 HydrophobicContact CD1-CB 4.23Å; Y2658-Q2711 HydrophobicContact CD1-CG 3.98Å; Y2658-Q2711 HydrophobicContact CE1-CB 4.25Å; Y2658-Q2711 HydrophobicContact CE1-CG 3.72Å; Q2711-V2753 HydrophobicContact CB-CG2 4.26Å |
| 2712 | K | 94.9 | Very high | 95.2 | Very high | 83.4 Ų | 83.4 | 25.8 Ų | 25.8 | 36% | 0.363 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.4 | 175.2 | -177.6 | -162.9 | 174.1 | -152.9 | 0 | 109.1 | G2639 G2640 K2641 I2710 | G2639-K2712 WeakPolarHBondContact O-CD 3.33Å; G2639-K2712 VanDerWaalsContact O-CE 3.3Å; G2639-K2712 WeakPolarHBondContact O-CE 3.3Å; G2639-K2712 PolarHBondContact O-NZ 3.1Å; G2639-K2712 VanDerWaalsContact O-NZ 3.13Å; G2640-K2712 CarbonylContact C-O 3.55Å; G2640-K2712 WeakPolarHBondContact CA-O 3.37Å; K2641-K2712 HydrophobicContact CB-CB 3.9Å; K2641-K2712 HydrophobicContact CG-CB 4.18Å; K2641-K2712 HydrophobicContact CG-CD 4.44Å; K2641-K2712 PolarHBondContact N-O 3.24Å; K2641-K2712 PolarHBondContact O-N 2.98Å; K2641-K2712 VanDerWaalsContact O-N 3.08Å; I2710-K2712 VanDerWaalsContact CG2-O 3.31Å; I2710-K2712 WeakPolarHBondContact CG2-O 3.41Å |
| 2713 | L | 96.6 | Very high | 95.3 | Very high | 21.6 Ų | 21.6 | 25.8 Ų | 25.8 | 11% | 0.113 | 12% | 0.122 | C | C | . | . | trans | -88.6 | 127.4 | 173.5 | -83.7 | 174.1 | 0 | 0 | 0 | 110.4 | I2710 M2748 T2752 T2789 Y2791 R2881 | I2710-L2713 HydrophobicContact CD1-CD2 4.17Å; I2710-L2713 HydrophobicContact CG2-CD2 3.81Å; I2710-L2713 HydrophobicContact CG2-CG 3.95Å; L2713-M2748 HydrophobicContact CD1-CB 4.03Å; L2713-M2748 HydrophobicContact CD2-CB 3.76Å; L2713-M2748 HydrophobicContact CD2-CG 4.09Å; L2713-T2752 HydrophobicContact CD1-CG2 3.73Å; L2713-T2752 HydrophobicContact CG-CG2 4.13Å; L2713-T2789 HydrophobicContact CD1-CG2 4.07Å; L2713-Y2791 WeakPolarHBondContact CB-OH 3.26Å; L2713-Y2791 HydrophobicContact CD1-CE2 4.38Å; L2713-Y2791 HydrophobicContact CD2-CE2 4.05Å; L2713-Y2791 WeakPolarHBondContact CD2-OH 3.42Å; L2713-R2881 PolarHBondContact O-NH1 3.09Å; L2713-R2881 VanDerWaalsContact O-NH1 3.09Å | ||
| 2714 | P | 96.7 | Very high | 95.2 | Very high | 1.4 Ų | 1.4 | 26.8 Ų | 26.8 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | trans | -71.5 | 167 | 178.4 | 31.4 | -36.4 | 0 | 0 | 0 | 112.1 | L2638 V2716 L2717 Y2791 R2881 | L2638-P2714 VanDerWaalsContact C-CB 3.48Å; L2638-P2714 WeakPolarHBondContact O-CB 3.35Å; P2714-V2716 VanDerWaalsContact C-N 3.31Å; P2714-V2716 WeakPolarHBondContact CB-O 3.39Å; P2714-V2716 WeakPolarHBondContact CG-O 3.38Å; P2714-L2717 HydrophobicContact CG-CB 4.01Å; P2714-L2717 HydrophobicContact CG-CD1 3.9Å; P2714-Y2791 WeakPolarHBondContact O-CE1 3.27Å; P2714-Y2791 PolarHBondContact O-OH 3.17Å; P2714-R2881 WeakPolarHBondContact O-CD 3.39Å; P2714-R2881 PolarHBondContact O-NH1 3.4Å; P2714-R2881 VanDerWaalsContact O-NH1 3.07Å | ||
| 2715 | L | 96.6 | Very high | 95.2 | Very high | 14.2 Ų | 14.2 | 31.2 Ų | 31.2 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -72.1 | -31.4 | 174.1 | -64.3 | -178.9 | 0 | 0 | 0 | 111.9 | V2637 R2881 F2884 Q2887 I2891 | V2637-L2715 HydrophobicContact CG1-CB 4.45Å; V2637-L2715 WeakPolarHBondContact O-CA 3.28Å; V2637-L2715 WeakPolarHBondContact O-CB 3.25Å; V2637-L2715 PolarHBondContact O-N 3.21Å; L2715-R2881 WeakPolarHBondContact O-CB 3.33Å; L2715-R2881 PolarHBondContact O-N 3.04Å; L2715-R2881 VanDerWaalsContact O-N 3.07Å; L2715-F2884 HydrophobicContact CB-CD2 4.06Å; L2715-F2884 HydrophobicContact CB-CE2 4.41Å; L2715-Q2887 HydrophobicContact CD1-CB 4.26Å; L2715-Q2887 HydrophobicContact CD2-CB 3.63Å; L2715-Q2887 HydrophobicContact CD2-CG 3.75Å; L2715-I2891 HydrophobicContact CD1-CD1 3.72Å |
| 2716 | V | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.7 | 168.7 | 177.8 | 0 | 0 | 0 | 0 | 108.3 | L2477 V2637 L2638 P2714 F2878 Y2879 F2884 | L2477-V2716 HydrophobicContact CD2-CG1 4.49Å; L2477-V2716 HydrophobicContact CD2-CG2 3.83Å; V2637-V2716 HydrophobicContact CG1-CB 4.21Å; V2637-V2716 HydrophobicContact CG1-CG2 3.94Å; V2637-V2716 PolarHBondContact O-N 3.05Å; L2638-V2716 HydrophobicContact CD2-CB 3.77Å; L2638-V2716 HydrophobicContact CD2-CG1 3.75Å; P2714-V2716 VanDerWaalsContact C-N 3.31Å; P2714-V2716 WeakPolarHBondContact CB-O 3.39Å; P2714-V2716 WeakPolarHBondContact CG-O 3.38Å; V2716-F2878 HydrophobicContact CG1-CB 4.43Å; V2716-F2878 HydrophobicContact CG1-CD1 4.15Å; V2716-Y2879 CarbonylContact C-O 3.37Å; V2716-Y2879 WeakPolarHBondContact CA-O 3.37Å; V2716-Y2879 WeakPolarHBondContact CG1-O 3.43Å; V2716-F2884 HydrophobicContact CG2-CD2 4.05Å; V2716-F2884 HydrophobicContact CG2-CE2 3.62Å; V2716-F2884 HydrophobicContact CG2-CZ 4.35Å |
| 2717 | L | 98.1 | Very high | 95.1 | Very high | 0.2 Ų | 0.2 | 31.5 Ų | 31.5 | 0% | 0.001 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 114.3 | 178 | 178.6 | 62.9 | 0 | 0 | 0 | 109.6 | F2661 L2664 P2714 I2719 M2748 Y2791 Y2879 | F2661-L2717 HydrophobicContact CE2-CD1 3.94Å; F2661-L2717 HydrophobicContact CZ-CD1 4.46Å; L2664-L2717 HydrophobicContact CB-CD1 4.35Å; L2664-L2717 HydrophobicContact CD2-CD1 4.43Å; L2664-L2717 HydrophobicContact CD2-CD2 4.44Å; P2714-L2717 HydrophobicContact CG-CB 4.01Å; P2714-L2717 HydrophobicContact CG-CD1 3.9Å; L2717-I2719 HydrophobicContact CD2-CD1 4.03Å; L2717-I2719 HydrophobicContact CD2-CG1 4.24Å; L2717-I2719 HydrophobicContact CG-CD1 4.26Å; L2717-I2719 HydrophobicContact CG-CG1 3.94Å; L2717-M2748 HydrophobicContact CD2-CE 3.84Å; L2717-M2748 HydrophobicContact CD2-CG 3.95Å; L2717-M2748 HydrophobicContact CD2-SD 3.79Å; L2717-Y2791 HydrophobicContact CB-CD1 4.12Å; L2717-Y2791 HydrophobicContact CB-CE1 3.71Å; L2717-Y2879 PolarHBondContact N-O 3.28Å; L2717-Y2879 PolarHBondContact O-N 3.19Å |
| 2718 | T | 98.2 | Very high | 95.1 | Very high | 0.8 Ų | 0.8 | 40.4 Ų | 40.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.3 | 170.9 | -43.7 | 0 | 0 | 0 | 0 | 109.5 | F2614 L2638 T2662 T2663 L2664 L2877 F2878 | F2614-T2718 HydrophobicContact CE1-CG2 4.17Å; F2614-T2718 HydrophobicContact CZ-CG2 4.27Å; L2638-T2718 WeakPolarHBondContact CD2-OG1 3.31Å; T2662-T2718 WeakPolarHBondContact O-CB 3.35Å; T2662-T2718 PolarHBondContact O-OG1 3.16Å; T2663-T2718 WeakPolarHBondContact CA-O 3.39Å; T2663-T2718 HydrophobicContact CG2-CG2 4.06Å; L2664-T2718 PolarHBondContact N-O 3.14Å; T2718-L2877 CarbonylContact C-O 3.29Å; T2718-L2877 WeakPolarHBondContact CA-O 3.41Å; T2718-F2878 HydrophobicContact CG2-CD1 4.31Å; T2718-F2878 HydrophobicContact CG2-CE1 3.86Å; T2718-F2878 HydrophobicContact CG2-CE2 4.28Å; T2718-F2878 HydrophobicContact CG2-CZ 3.84Å |
| 2719 | I | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.6 | 177.7 | -51.6 | -178.3 | 0 | 0 | 0 | 109.5 | L2664 V2666 L2674 L2717 L2746 L2876 L2877 Y2879 | L2664-I2719 HydrophobicContact CB-CG1 4.36Å; L2664-I2719 HydrophobicContact CD2-CD1 4.47Å; L2664-I2719 HydrophobicContact CD2-CG1 4.42Å; L2664-I2719 CarbonylContact O-C 3.46Å; L2664-I2719 VanDerWaalsContact O-CA 3.27Å; L2664-I2719 WeakPolarHBondContact O-CA 3.41Å; L2664-I2719 WeakPolarHBondContact O-CG2 3.32Å; V2666-I2719 HydrophobicContact CB-CG2 4.47Å; V2666-I2719 HydrophobicContact CG1-CG2 3.98Å; V2666-I2719 HydrophobicContact CG2-CG2 3.74Å; L2674-I2719 HydrophobicContact CD1-CD1 4.24Å; L2674-I2719 HydrophobicContact CD1-CG2 4.01Å; L2674-I2719 HydrophobicContact CD2-CD1 3.95Å; L2717-I2719 HydrophobicContact CD2-CD1 4.03Å; L2717-I2719 HydrophobicContact CD2-CG1 4.24Å; L2717-I2719 HydrophobicContact CG-CD1 4.26Å; L2717-I2719 HydrophobicContact CG-CG1 3.94Å; I2719-L2746 HydrophobicContact CD1-CD2 4.02Å; I2719-L2876 CarbonylContact O-C 3.51Å; I2719-L2876 WeakPolarHBondContact O-CA 3.31Å; I2719-L2877 HydrophobicContact CB-CB 4.3Å; I2719-L2877 PolarHBondContact N-O 2.96Å; I2719-L2877 PolarHBondContact O-N 2.94Å; I2719-Y2879 HydrophobicContact CD1-CD2 3.88Å; I2719-Y2879 HydrophobicContact CD1-CE2 3.93Å; I2719-Y2879 HydrophobicContact CG1-CD2 4.34Å |
| 2720 | Q | 97.9 | Very high | 95 | Very high | 24.8 Ų | 24.8 | 53.7 Ų | 53.7 | 12% | 0.116 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.3 | 169.8 | -174.3 | -155.6 | 31.6 | 0 | 0 | 109.6 | L2611 T2663 L2664 N2665 V2666 K2722 Y2875 L2876 | L2611-Q2720 HydrophobicContact CD2-CB 4.17Å; L2611-Q2720 HydrophobicContact CD2-CG 3.87Å; L2611-Q2720 VanDerWaalsContact CD2-NE2 3.28Å; T2663-Q2720 HydrophobicContact CG2-CB 3.77Å; L2664-Q2720 PolarHBondContact O-N 3.15Å; N2665-Q2720 PolarHBondContact OD1-OE1 2.97Å; V2666-Q2720 WeakPolarHBondContact CG2-O 3.41Å; V2666-Q2720 PolarHBondContact N-O 3.12Å; Q2720-K2722 PolarHBondContact O-N 3.23Å; Q2720-Y2875 HydrophobicContact CG-CD2 4.37Å; Q2720-Y2875 HydrophobicContact CG-CE2 3.67Å; Q2720-Y2875 PolarHBondContact NE2-OH 3.09Å; Q2720-L2876 HydrophobicContact CB-CD2 3.81Å; Q2720-L2876 HydrophobicContact CG-CD2 3.88Å |
| 2721 | L | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 106.7 | 162.7 | -59.1 | -173.5 | 0 | 0 | 0 | 107.4 | V2666 V2668 R2723 F2742 A2874 Y2875 L2877 | V2666-L2721 HydrophobicContact CG2-CD2 3.54Å; V2668-L2721 HydrophobicContact CG2-CB 3.71Å; V2668-L2721 HydrophobicContact CG2-CD2 4.45Å; L2721-R2723 VanDerWaalsContact C-N 3.27Å; L2721-R2723 HydrophobicContact CB-CG 4.27Å; L2721-R2723 PolarHBondContact O-N 3.1Å; L2721-F2742 HydrophobicContact CD1-CD1 4.23Å; L2721-F2742 HydrophobicContact CD1-CE1 4.15Å; L2721-A2874 HydrophobicContact CD1-CB 4.04Å; L2721-Y2875 PolarHBondContact N-O 3.17Å; L2721-Y2875 WeakPolarHBondContact O-CD2 3.36Å; L2721-L2877 HydrophobicContact CD1-CD1 4.36Å; L2721-L2877 HydrophobicContact CD1-CD2 4.39Å; L2721-L2877 HydrophobicContact CD1-CG 4.45Å; L2721-L2877 HydrophobicContact CD2-CD1 4.13Å; L2721-L2877 HydrophobicContact CG-CD1 4.32Å; L2721-L2877 HydrophobicContact CG-CG 4.34Å |
| 2722 | K | 95.5 | Very high | 94.6 | Very high | 72.4 Ų | 72.4 | 54.2 Ų | 54.2 | 32% | 0.315 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 83.7 | 178.6 | -66.5 | -178.9 | -158.6 | 161.2 | 0 | 111 | N2665 V2666 D2667 V2668 Q2720 | N2665-K2722 VanDerWaalsContact C-CE 3.46Å; N2665-K2722 HydrophobicContact CB-CD 4.48Å; N2665-K2722 HydrophobicContact CB-CG 4.38Å; N2665-K2722 WeakPolarHBondContact O-CE 3.38Å; N2665-K2722 PolarHBondContact O-NZ 3.28Å; V2666-K2722 WeakPolarHBondContact O-CB 3.38Å; V2666-K2722 WeakPolarHBondContact O-CG 3.26Å; V2666-K2722 PolarHBondContact O-N 3.19Å; D2667-K2722 VanDerWaalsContact CG-NZ 3.27Å; D2667-K2722 VanDerWaalsContact OD1-CD 3.3Å; D2667-K2722 WeakPolarHBondContact OD1-CD 3.35Å; D2667-K2722 VanDerWaalsContact OD1-CE 3.32Å; D2667-K2722 WeakPolarHBondContact OD1-CE 3.36Å; D2667-K2722 IonicContact OD1-NZ 3.73Å; D2667-K2722 PolarHBondContact OD1-NZ 2.98Å; D2667-K2722 IonicContact OD2-NZ 3.27Å; D2667-K2722 PolarHBondContact OD2-NZ 3.16Å; D2667-K2722 VanDerWaalsContact OD2-NZ 3.16Å; V2668-K2722 VanDerWaalsContact CG2-N 3.31Å; V2668-K2722 WeakPolarHBondContact CG2-O 3.3Å; Q2720-K2722 PolarHBondContact O-N 3.23Å |
| 2723 | R | 95 | Very high | 94.5 | Very high | 1.2 Ų | 1.2 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | trans | -101.1 | -3.9 | 179.6 | -69.1 | -170.6 | 178.8 | -84.1 | 7 | 113.6 | V2668 L2721 K2735 F2736 N2738 F2848 S2873 A2874 | V2668-R2723 HydrophobicContact CB-CG 4.44Å; V2668-R2723 HydrophobicContact CG1-CG 4.15Å; V2668-R2723 HydrophobicContact CG2-CG 4.16Å; L2721-R2723 VanDerWaalsContact C-N 3.27Å; L2721-R2723 HydrophobicContact CB-CG 4.27Å; L2721-R2723 PolarHBondContact O-N 3.1Å; R2723-K2735 CarbonylContact O-C 3.34Å; R2723-K2735 VanDerWaalsContact O-CA 3.27Å; R2723-K2735 WeakPolarHBondContact O-CA 3.38Å; R2723-F2736 WeakPolarHBondContact CG-O 3.34Å; R2723-F2736 PolarHBondContact NH1-O 3.33Å; R2723-F2736 PolarHBondContact O-N 2.98Å; R2723-N2738 PolarHBondContact NH1-O 3.21Å; R2723-N2738 PolarHBondContact NH2-O 3.26Å; R2723-F2848 PolarHBondContact NH2-O 3.29Å; R2723-S2873 VanDerWaalsContact CD-OG 3.28Å; R2723-S2873 WeakPolarHBondContact CD-OG 3.36Å; R2723-S2873 PolarHBondContact NE-OG 3.33Å; R2723-A2874 VanDerWaalsContact CD-O 3.26Å; R2723-A2874 WeakPolarHBondContact CD-O 3.37Å; R2723-A2874 PolarHBondContact NE-O 3.22Å | ||
| 2724 | F | 94.1 | Very high | 94.2 | Very high | 52.2 Ų | 52.2 | 54.6 Ų | 54.6 | 23% | 0.229 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.8 | -179.7 | -55 | -84.8 | 0 | 0 | 0 | 110.1 | L2734 K2735 H2799 A2803 Y2875 | F2724-L2734 WeakPolarHBondContact CA-O 3.18Å; F2724-K2735 HydrophobicContact CD1-CB 4.15Å; F2724-K2735 HydrophobicContact CD1-CG 4.05Å; F2724-K2735 HydrophobicContact CE1-CB 4.25Å; F2724-K2735 HydrophobicContact CE1-CD 3.89Å; F2724-K2735 HydrophobicContact CE1-CG 3.85Å; F2724-K2735 HydrophobicContact CZ-CD 4.41Å; F2724-K2735 HydrophobicContact CZ-CG 4.45Å; F2724-H2799 AromaticContact CE1-ND1 3.61Å; F2724-H2799 HydrophobicContact CZ-CB 4.01Å; F2724-H2799 AromaticContact CZ-CG 3.74Å; F2724-H2799 AromaticContact CZ-ND1 3.33Å; F2724-H2799 VanDerWaalsContact CZ-ND1 3.32Å; F2724-H2799 WeakPolarHBondContact CZ-ND1 3.36Å; F2724-A2803 HydrophobicContact CD1-CB 4.11Å; F2724-Y2875 HydrophobicContact CD2-CD2 4.05Å; F2724-Y2875 AromaticContact CD2-CE2 3.62Å; F2724-Y2875 HydrophobicContact CD2-CE2 3.62Å; F2724-Y2875 AromaticContact CD2-CZ 3.95Å; F2724-Y2875 HydrophobicContact CE2-CD1 4.3Å; F2724-Y2875 AromaticContact CE2-CD2 3.62Å; F2724-Y2875 HydrophobicContact CE2-CD2 3.62Å; F2724-Y2875 HydrophobicContact CE2-CE1 4.22Å; F2724-Y2875 AromaticContact CE2-CE2 3.57Å; F2724-Y2875 HydrophobicContact CE2-CE2 3.57Å; F2724-Y2875 AromaticContact CE2-CG 3.97Å; F2724-Y2875 HydrophobicContact CE2-CG 4Å; F2724-Y2875 AromaticContact CE2-CZ 3.87Å |
| 2725 | D | 92.8 | Very high | 94.1 | Very high | 94 Ų | 94 | 55.8 Ų | 55.8 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | -179.6 | 179.5 | -158.1 | -11.3 | 0 | 0 | 0 | 108.6 | S2733 L2734 F2736 | D2725-S2733 CarbonylContact O-C 3.43Å; D2725-S2733 WeakPolarHBondContact O-CA 3.35Å; D2725-L2734 PolarHBondContact N-O 3.27Å; D2725-L2734 PolarHBondContact O-N 3.04Å; D2725-F2736 HydrophobicContact CB-CE2 3.56Å; D2725-F2736 HydrophobicContact CB-CZ 4.1Å |
| 2726 | Y | 91.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 57.2 Ų | 57.2 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123.9 | -177.7 | -165.3 | -97 | 0 | 0 | 0 | 112.3 | W2728 G2731 | Y2726-W2728 AromaticContact CD1-CD2 3.62Å; Y2726-W2728 HydrophobicContact CD1-CD2 3.62Å; Y2726-W2728 AromaticContact CD1-CE2 3.84Å; Y2726-W2728 AromaticContact CD1-CE3 3.73Å; Y2726-W2728 HydrophobicContact CD1-CE3 3.73Å; Y2726-W2728 HydrophobicContact CD1-CG 4.06Å; Y2726-W2728 HydrophobicContact CD1-CH2 4.27Å; Y2726-W2728 HydrophobicContact CD1-CZ2 4.17Å; Y2726-W2728 AromaticContact CD1-CZ3 3.97Å; Y2726-W2728 HydrophobicContact CD1-CZ3 4.05Å; Y2726-W2728 HydrophobicContact CE1-CD2 4.1Å; Y2726-W2728 AromaticContact CE1-CE3 3.76Å; Y2726-W2728 HydrophobicContact CE1-CE3 3.76Å; Y2726-W2728 AromaticContact CE1-CZ3 3.98Å; Y2726-W2728 HydrophobicContact CE1-CZ3 4.05Å; Y2726-W2728 VanDerWaalsContact O-CD1 3.3Å; Y2726-W2728 PolarHBondContact O-N 3.25Å; Y2726-G2731 VanDerWaalsContact CZ-C 3.48Å; Y2726-G2731 VanDerWaalsContact OH-C 3.31Å; Y2726-G2731 VanDerWaalsContact OH-CA 3.3Å; Y2726-G2731 WeakPolarHBondContact OH-CA 3.31Å; Y2726-G2731 PolarHBondContact OH-O 3.27Å; Y2726-G2731 VanDerWaalsContact OH-O 3.07Å |
| 2727 | D | 91.2 | Very high | 93.7 | Very high | 28.6 Ų | 28.6 | 58.4 Ų | 58.4 | 15% | 0.153 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 102.8 | 170.5 | -170 | -35.1 | 0 | 0 | 0 | 109.1 | E2729 Q2730 G2731 V2732 L2734 | D2727-E2729 VanDerWaalsContact C-N 3.29Å; D2727-E2729 PolarHBondContact O-N 3.04Å; D2727-E2729 WeakPolarHBondContact OD1-CA 3.43Å; D2727-E2729 WeakPolarHBondContact OD1-CB 3.38Å; D2727-E2729 PolarHBondContact OD1-N 3.24Å; D2727-Q2730 HydrophobicContact CB-CB 4.18Å; D2727-Q2730 PolarHBondContact OD1-N 3.03Å; D2727-Q2730 VanDerWaalsContact OD2-CD 3.26Å; D2727-Q2730 WeakPolarHBondContact OD2-CG 3.37Å; D2727-Q2730 PolarHBondContact OD2-NE2 3.01Å; D2727-G2731 VanDerWaalsContact O-CA 3.3Å; D2727-G2731 WeakPolarHBondContact O-CA 3.33Å; D2727-G2731 PolarHBondContact O-N 2.9Å; D2727-V2732 HydrophobicContact CB-CG2 4.13Å; D2727-V2732 WeakPolarHBondContact CB-O 3.31Å; D2727-V2732 PolarHBondContact N-O 3Å; D2727-V2732 PolarHBondContact O-N 3.26Å; D2727-L2734 HydrophobicContact CB-CD1 3.94Å; D2727-L2734 HydrophobicContact CB-CD2 4.2Å; D2727-L2734 HydrophobicContact CB-CG 3.94Å |
| 2728 | W | 91.1 | Very high | 93.4 | Very high | 216.6 Ų | 216.6 | 61.4 Ų | 61.4 | 82% | 0.82 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -21 | 178.6 | -61.9 | 96.9 | 0 | 0 | 0 | 113.8 | Y2726 | Y2726-W2728 AromaticContact CD1-CD2 3.62Å; Y2726-W2728 HydrophobicContact CD1-CD2 3.62Å; Y2726-W2728 AromaticContact CD1-CE2 3.84Å; Y2726-W2728 AromaticContact CD1-CE3 3.73Å; Y2726-W2728 HydrophobicContact CD1-CE3 3.73Å; Y2726-W2728 HydrophobicContact CD1-CG 4.06Å; Y2726-W2728 HydrophobicContact CD1-CH2 4.27Å; Y2726-W2728 HydrophobicContact CD1-CZ2 4.17Å; Y2726-W2728 AromaticContact CD1-CZ3 3.97Å; Y2726-W2728 HydrophobicContact CD1-CZ3 4.05Å; Y2726-W2728 HydrophobicContact CE1-CD2 4.1Å; Y2726-W2728 AromaticContact CE1-CE3 3.76Å; Y2726-W2728 HydrophobicContact CE1-CE3 3.76Å; Y2726-W2728 AromaticContact CE1-CZ3 3.98Å; Y2726-W2728 HydrophobicContact CE1-CZ3 4.05Å; Y2726-W2728 VanDerWaalsContact O-CD1 3.3Å; Y2726-W2728 PolarHBondContact O-N 3.25Å |
| 2729 | E | 92.6 | Very high | 93.2 | Very high | 191.2 Ų | 191.2 | 65.2 Ų | 65.2 | 89% | 0.893 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -38.9 | 177.8 | -59.8 | -170.1 | 165.4 | 0 | 0 | 111.1 | D2727 | D2727-E2729 VanDerWaalsContact C-N 3.29Å; D2727-E2729 PolarHBondContact O-N 3.04Å; D2727-E2729 WeakPolarHBondContact OD1-CA 3.43Å; D2727-E2729 WeakPolarHBondContact OD1-CB 3.38Å; D2727-E2729 PolarHBondContact OD1-N 3.24Å |
| 2730 | Q | 90.2 | Very high | 93 | Very high | 140.6 Ų | 140.6 | 65.2 Ų | 65.2 | 66% | 0.657 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -18.1 | 178.7 | -65 | -177.9 | 55.1 | 0 | 0 | 113.6 | D2727 V2732 | D2727-Q2730 HydrophobicContact CB-CB 4.18Å; D2727-Q2730 PolarHBondContact OD1-N 3.03Å; D2727-Q2730 VanDerWaalsContact OD2-CD 3.26Å; D2727-Q2730 WeakPolarHBondContact OD2-CG 3.37Å; D2727-Q2730 PolarHBondContact OD2-NE2 3.01Å; Q2730-V2732 VanDerWaalsContact C-N 3.35Å; Q2730-V2732 HydrophobicContact CB-CG2 3.82Å; Q2730-V2732 WeakPolarHBondContact O-CG2 3.14Å |
| 2731 | G | 90.3 | Very high | 92.9 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 42% | 0.423 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 30.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y2726 D2727 | Y2726-G2731 VanDerWaalsContact CZ-C 3.48Å; Y2726-G2731 VanDerWaalsContact OH-C 3.31Å; Y2726-G2731 VanDerWaalsContact OH-CA 3.3Å; Y2726-G2731 WeakPolarHBondContact OH-CA 3.31Å; Y2726-G2731 PolarHBondContact OH-O 3.27Å; Y2726-G2731 VanDerWaalsContact OH-O 3.07Å; D2727-G2731 VanDerWaalsContact O-CA 3.3Å; D2727-G2731 WeakPolarHBondContact O-CA 3.33Å; D2727-G2731 PolarHBondContact O-N 2.9Å |
| 2732 | V | 90 | Very high | 92.9 | Very high | 64 Ų | 64 | 68.2 Ų | 68.2 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.9 | -174.3 | -73.6 | 0 | 0 | 0 | 0 | 112.6 | D2727 Q2730 L2734 | D2727-V2732 HydrophobicContact CB-CG2 4.13Å; D2727-V2732 WeakPolarHBondContact CB-O 3.31Å; D2727-V2732 PolarHBondContact N-O 3Å; D2727-V2732 PolarHBondContact O-N 3.26Å; Q2730-V2732 VanDerWaalsContact C-N 3.35Å; Q2730-V2732 HydrophobicContact CB-CG2 3.82Å; Q2730-V2732 WeakPolarHBondContact O-CG2 3.14Å; V2732-L2734 HydrophobicContact CG2-CD2 4.22Å |
| 2733 | S | 92.2 | Very high | 93 | Very high | 57.4 Ų | 57.4 | 66.7 Ų | 66.7 | 40% | 0.401 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 134.6 | 169.2 | -48 | 0 | 0 | 0 | 0 | 110.7 | D2725 A2803 | D2725-S2733 CarbonylContact O-C 3.43Å; D2725-S2733 WeakPolarHBondContact O-CA 3.35Å; S2733-A2803 VanDerWaalsContact C-CB 3.45Å; S2733-A2803 VanDerWaalsContact CB-CB 3.45Å; S2733-A2803 VanDerWaalsContact O-CB 3.27Å; S2733-A2803 WeakPolarHBondContact O-CB 3.27Å |
| 2734 | L | 91.7 | Very high | 92.9 | Very high | 55.8 Ų | 55.8 | 69.2 Ų | 69.2 | 29% | 0.292 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 153.6 | 177.9 | -63.3 | -176.2 | 0 | 0 | 0 | 111.7 | F2724 D2725 D2727 V2732 F2736 A2803 | F2724-L2734 WeakPolarHBondContact CA-O 3.18Å; D2725-L2734 PolarHBondContact N-O 3.27Å; D2725-L2734 PolarHBondContact O-N 3.04Å; D2727-L2734 HydrophobicContact CB-CD1 3.94Å; D2727-L2734 HydrophobicContact CB-CD2 4.2Å; D2727-L2734 HydrophobicContact CB-CG 3.94Å; V2732-L2734 HydrophobicContact CG2-CD2 4.22Å; L2734-F2736 HydrophobicContact CB-CE1 4.37Å; L2734-F2736 HydrophobicContact CB-CZ 4.29Å; L2734-F2736 HydrophobicContact CD1-CE1 4.25Å; L2734-F2736 HydrophobicContact CD1-CZ 4.15Å; L2734-A2803 WeakPolarHBondContact O-CB 3.13Å |
| 2735 | K | 94.4 | Very high | 93.1 | Very high | 27.8 Ų | 27.8 | 72.9 Ų | 72.9 | 12% | 0.121 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 116.6 | 170.5 | -172.5 | -174.2 | 178.9 | -171.7 | 0 | 112.3 | R2723 F2724 N2737 H2799 G2801 Q2802 A2803 W2871 | R2723-K2735 CarbonylContact O-C 3.34Å; R2723-K2735 VanDerWaalsContact O-CA 3.27Å; R2723-K2735 WeakPolarHBondContact O-CA 3.38Å; F2724-K2735 HydrophobicContact CD1-CB 4.15Å; F2724-K2735 HydrophobicContact CD1-CG 4.05Å; F2724-K2735 HydrophobicContact CE1-CB 4.25Å; F2724-K2735 HydrophobicContact CE1-CD 3.89Å; F2724-K2735 HydrophobicContact CE1-CG 3.85Å; F2724-K2735 HydrophobicContact CZ-CD 4.41Å; F2724-K2735 HydrophobicContact CZ-CG 4.45Å; K2735-N2737 WeakPolarHBondContact CD-OD1 3.09Å; K2735-N2737 VanDerWaalsContact CE-OD1 3.25Å; K2735-N2737 WeakPolarHBondContact CE-OD1 3.36Å; K2735-N2737 PolarHBondContact NZ-OD1 3.48Å; K2735-N2737 PolarHBondContact O-N 3.12Å; K2735-N2737 PolarHBondContact O-ND2 3.32Å; K2735-N2737 VanDerWaalsContact O-ND2 3.11Å; K2735-H2799 PolarHBondContact NZ-ND1 3.36Å; K2735-H2799 VanDerWaalsContact NZ-ND1 3.2Å; K2735-H2799 PolarHBondContact NZ-O 3.19Å; K2735-G2801 VanDerWaalsContact CD-O 3.26Å; K2735-G2801 WeakPolarHBondContact CD-O 3.34Å; K2735-G2801 PolarHBondContact NZ-O 3.23Å; K2735-G2801 VanDerWaalsContact NZ-O 3.14Å; K2735-Q2802 WeakPolarHBondContact CD-O 3.39Å; K2735-A2803 HydrophobicContact CB-CB 4.19Å; K2735-W2871 PolarHBondContact NZ-O 3.24Å |
| 2736 | F | 92.4 | Very high | 93.3 | Very high | 41.8 Ų | 41.8 | 68.7 Ų | 68.7 | 18% | 0.183 | 33% | 0.333 | C | S | . | . | trans | -87.2 | 96 | 177.4 | -54.1 | -53.7 | 0 | 0 | 0 | 111.5 | L2669 R2723 D2725 L2734 N2738 | L2669-F2736 HydrophobicContact CD1-CD2 4.02Å; L2669-F2736 HydrophobicContact CD1-CE1 4.5Å; L2669-F2736 HydrophobicContact CD1-CE2 3.72Å; L2669-F2736 HydrophobicContact CD1-CZ 4.03Å; L2669-F2736 HydrophobicContact CD2-CB 4Å; L2669-F2736 HydrophobicContact CD2-CD1 3.65Å; L2669-F2736 HydrophobicContact CD2-CD2 3.84Å; L2669-F2736 HydrophobicContact CD2-CE1 4.04Å; L2669-F2736 HydrophobicContact CD2-CE2 4.19Å; L2669-F2736 HydrophobicContact CD2-CG 3.55Å; L2669-F2736 HydrophobicContact CD2-CZ 4.29Å; L2669-F2736 HydrophobicContact CG-CD2 3.91Å; L2669-F2736 HydrophobicContact CG-CE2 4.15Å; L2669-F2736 HydrophobicContact CG-CG 4.13Å; R2723-F2736 WeakPolarHBondContact CG-O 3.34Å; R2723-F2736 PolarHBondContact NH1-O 3.33Å; R2723-F2736 PolarHBondContact O-N 2.98Å; D2725-F2736 HydrophobicContact CB-CE2 3.56Å; D2725-F2736 HydrophobicContact CB-CZ 4.1Å; L2734-F2736 HydrophobicContact CB-CE1 4.37Å; L2734-F2736 HydrophobicContact CB-CZ 4.29Å; L2734-F2736 HydrophobicContact CD1-CE1 4.25Å; L2734-F2736 HydrophobicContact CD1-CZ 4.15Å; F2736-N2738 PolarHBondContact O-N 3.1Å | ||
| 2737 | N | 92.3 | Very high | 93.5 | Very high | 25.8 Ų | 25.8 | 67.5 Ų | 67.5 | 14% | 0.138 | 33% | 0.333 | C | S | . | . | trans | -84.8 | 31.9 | 173.9 | -61.7 | -73.1 | 0 | 0 | 0 | 112.5 | K2735 G2850 K2869 R2870 S2873 | K2735-N2737 WeakPolarHBondContact CD-OD1 3.09Å; K2735-N2737 VanDerWaalsContact CE-OD1 3.25Å; K2735-N2737 WeakPolarHBondContact CE-OD1 3.36Å; K2735-N2737 PolarHBondContact NZ-OD1 3.48Å; K2735-N2737 PolarHBondContact O-N 3.12Å; K2735-N2737 PolarHBondContact O-ND2 3.32Å; K2735-N2737 VanDerWaalsContact O-ND2 3.11Å; N2737-G2850 WeakPolarHBondContact O-CA 3.4Å; N2737-G2850 PolarHBondContact O-N 3.08Å; N2737-K2869 HydrophobicContact CB-CD 4.45Å; N2737-K2869 HydrophobicContact CB-CG 4.19Å; N2737-R2870 VanDerWaalsContact CB-O 3.27Å; N2737-R2870 WeakPolarHBondContact CB-O 3.36Å; N2737-R2870 VanDerWaalsContact CG-O 3.25Å; N2737-R2870 PolarHBondContact OD1-O 3.15Å; N2737-S2873 PolarHBondContact OD1-OG 3.22Å; N2737-S2873 VanDerWaalsContact OD1-OG 3.05Å | ||
| 2738 | N | 92.3 | Very high | 93.8 | Very high | 63.6 Ų | 63.6 | 66.2 Ų | 66.2 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | trans | -60.9 | 151.3 | 177.6 | -66.3 | 25.8 | 0 | 0 | 0 | 110.5 | V2668 L2669 R2723 F2736 C2740 | V2668-N2738 HydrophobicContact CG1-CB 4.46Å; L2669-N2738 PolarHBondContact O-ND2 3.38Å; R2723-N2738 PolarHBondContact NH1-O 3.21Å; R2723-N2738 PolarHBondContact NH2-O 3.26Å; F2736-N2738 PolarHBondContact O-N 3.1Å; N2738-C2740 PolarHBondContact O-N 3.06Å | ||
| 2739 | Y | 94.4 | Very high | 93.9 | Very high | 81.4 Ų | 81.4 | 58.4 Ų | 58.4 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | trans | -66.9 | 122.6 | 173.9 | -179.3 | -86.7 | 0 | 0 | 0 | 109.4 | E2741 M2844 F2848 | Y2739-E2741 HydrophobicContact CE1-CB 3.83Å; Y2739-E2741 HydrophobicContact CE1-CG 4.06Å; Y2739-E2741 VanDerWaalsContact CE1-OE2 3.27Å; Y2739-E2741 WeakPolarHBondContact CE1-OE2 3.32Å; Y2739-E2741 PolarHBondContact OH-OE2 3.11Å; Y2739-M2844 HydrophobicContact CE2-CG 4.23Å; Y2739-M2844 HydrophobicContact CE2-SD 4.4Å; Y2739-F2848 WeakPolarHBondContact CA-O 3.27Å; Y2739-F2848 HydrophobicContact CD2-CB 4.03Å; Y2739-F2848 HydrophobicContact CE2-CB 3.78Å; Y2739-F2848 AromaticContact CE2-CD2 3.99Å; Y2739-F2848 HydrophobicContact CE2-CD2 3.99Å; Y2739-F2848 HydrophobicContact CE2-CG 4.4Å; Y2739-F2848 AromaticContact CZ-CD2 3.87Å; Y2739-F2848 WeakPolarHBondContact OH-CD2 3.39Å | ||
| 2740 | C | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -141 | 110.3 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | V2668 R2672 N2738 F2848 | V2668-C2740 HydrophobicContact CG1-CB 3.81Å; R2672-C2740 VanDerWaalsContact O-CA 3.32Å; R2672-C2740 WeakPolarHBondContact O-CA 3.41Å; N2738-C2740 PolarHBondContact O-N 3.06Å; C2740-F2848 PolarHBondContact N-O 3.09Å; C2740-F2848 WeakPolarHBondContact O-CA 3.35Å; C2740-F2848 WeakPolarHBondContact O-CB 3.48Å; C2740-F2848 WeakPolarHBondContact O-CD1 3.36Å | ||
| 2741 | E | 95.8 | Very high | 94.2 | Very high | 77.2 Ų | 77.2 | 46.6 Ų | 46.6 | 36% | 0.361 | 25% | 0.25 | S | C | . | . | B | Isolated β-bridge | trans | -89.2 | 152.2 | 176.5 | 66.8 | -167.9 | -170.4 | 0 | 0 | 112 | R2672 N2673 L2674 Y2739 F2848 | R2672-E2741 PolarHBondContact O-N 3.13Å; N2673-E2741 CarbonylContact C-O 3.5Å; N2673-E2741 WeakPolarHBondContact CA-O 3.39Å; N2673-E2741 HydrophobicContact CB-CG 3.39Å; N2673-E2741 VanDerWaalsContact CB-CG 3.42Å; L2674-E2741 PolarHBondContact N-O 2.97Å; Y2739-E2741 HydrophobicContact CE1-CB 3.83Å; Y2739-E2741 HydrophobicContact CE1-CG 4.06Å; Y2739-E2741 VanDerWaalsContact CE1-OE2 3.27Å; Y2739-E2741 WeakPolarHBondContact CE1-OE2 3.32Å; Y2739-E2741 PolarHBondContact OH-OE2 3.11Å; E2741-F2848 HydrophobicContact CB-CD1 4.42Å; E2741-F2848 HydrophobicContact CB-CD2 3.64Å; E2741-F2848 HydrophobicContact CB-CE1 4.35Å; E2741-F2848 HydrophobicContact CB-CE2 3.56Å; E2741-F2848 HydrophobicContact CB-CG 4.11Å; E2741-F2848 HydrophobicContact CB-CZ 3.93Å |
| 2742 | F | 96.9 | Very high | 94.4 | Very high | 9.2 Ų | 9.2 | 45.2 Ų | 45.2 | 4% | 0.04 | 23% | 0.233 | C | C | . | . | trans | -145.5 | 137.3 | 178.2 | 48.4 | -94 | 0 | 0 | 0 | 109.9 | L2674 L2721 L2793 V2796 W2847 F2848 A2874 L2877 | L2674-F2742 HydrophobicContact CB-CB 3.86Å; L2674-F2742 HydrophobicContact CD2-CB 3.9Å; L2721-F2742 HydrophobicContact CD1-CD1 4.23Å; L2721-F2742 HydrophobicContact CD1-CE1 4.15Å; F2742-L2793 HydrophobicContact CD2-CD1 4.45Å; F2742-L2793 HydrophobicContact CD2-CD2 4.15Å; F2742-L2793 HydrophobicContact CE2-CD1 4.36Å; F2742-L2793 HydrophobicContact CE2-CD2 3.83Å; F2742-V2796 HydrophobicContact CE2-CG2 4.09Å; F2742-V2796 HydrophobicContact CZ-CG1 4.28Å; F2742-V2796 HydrophobicContact CZ-CG2 4.33Å; F2742-W2847 HydrophobicContact CE1-CB 4.21Å; F2742-W2847 HydrophobicContact CE2-CD2 4.44Å; F2742-W2847 AromaticContact CE2-CE3 3.89Å; F2742-W2847 HydrophobicContact CE2-CE3 3.89Å; F2742-W2847 HydrophobicContact CE2-CZ3 4.46Å; F2742-W2847 HydrophobicContact CZ-CB 3.73Å; F2742-W2847 HydrophobicContact CZ-CD2 4.23Å; F2742-W2847 AromaticContact CZ-CE3 3.97Å; F2742-W2847 HydrophobicContact CZ-CE3 4.05Å; F2742-W2847 HydrophobicContact CZ-CG 4.14Å; F2742-F2848 AromaticContact CD1-CD1 3.92Å; F2742-F2848 HydrophobicContact CD1-CD1 3.92Å; F2742-F2848 AromaticContact CD1-CE1 3.82Å; F2742-F2848 HydrophobicContact CD1-CE1 3.82Å; F2742-F2848 HydrophobicContact CD2-CE1 4.17Å; F2742-F2848 AromaticContact CE1-CD1 3.63Å; F2742-F2848 HydrophobicContact CE1-CD1 3.63Å; F2742-F2848 AromaticContact CE1-CE1 3.74Å; F2742-F2848 HydrophobicContact CE1-CE1 3.74Å; F2742-F2848 HydrophobicContact CE2-CE1 4.09Å; F2742-F2848 HydrophobicContact CG-CE1 4.05Å; F2742-F2848 HydrophobicContact CZ-CD1 4.09Å; F2742-F2848 AromaticContact CZ-CE1 3.9Å; F2742-F2848 HydrophobicContact CZ-CE1 3.9Å; F2742-A2874 HydrophobicContact CE1-CB 3.63Å; F2742-A2874 HydrophobicContact CZ-CB 3.69Å; F2742-L2877 HydrophobicContact CB-CD1 3.86Å; F2742-L2877 HydrophobicContact CD1-CD1 3.82Å; F2742-L2877 HydrophobicContact CD1-CD2 4.16Å; F2742-L2877 HydrophobicContact CD2-CD1 3.79Å; F2742-L2877 HydrophobicContact CD2-CD2 4.01Å; F2742-L2877 HydrophobicContact CE1-CD1 4.26Å; F2742-L2877 HydrophobicContact CE1-CD2 3.73Å; F2742-L2877 HydrophobicContact CE2-CD1 4.23Å; F2742-L2877 HydrophobicContact CE2-CD2 3.57Å; F2742-L2877 HydrophobicContact CG-CD1 3.54Å; F2742-L2877 HydrophobicContact CG-CD2 4.27Å; F2742-L2877 HydrophobicContact CZ-CD1 4.43Å; F2742-L2877 HydrophobicContact CZ-CD2 3.39Å | ||
| 2743 | P | 95.9 | Very high | 94.5 | Very high | 41.6 Ų | 41.6 | 42.8 Ų | 42.8 | 27% | 0.27 | 22% | 0.218 | S | C | . | . | trans | -78.1 | 152.4 | -170.5 | 33.6 | -37.5 | 0 | 0 | 0 | 111.6 | I2675 H2745 L2746 Y2879 | I2675-P2743 HydrophobicContact CD1-CG 4.37Å; P2743-H2745 VanDerWaalsContact C-N 3.27Å; P2743-H2745 VanDerWaalsContact CB-O 3.32Å; P2743-H2745 WeakPolarHBondContact CB-O 3.29Å; P2743-H2745 WeakPolarHBondContact CG-O 3.35Å; P2743-H2745 PolarHBondContact O-N 3.05Å; P2743-L2746 HydrophobicContact CG-CB 4.44Å; P2743-L2746 HydrophobicContact CG-CD1 4.22Å; P2743-Y2879 WeakPolarHBondContact O-CE1 3.41Å; P2743-Y2879 PolarHBondContact O-OH 3.1Å | ||
| 2744 | R | 94.9 | Very high | 94.4 | Very high | 53.8 Ų | 53.8 | 44.1 Ų | 44.1 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -69.3 | -23.8 | 173.4 | -62 | 177.8 | -171 | -89.8 | 6.2 | 113.1 | N2792 L2793 L2837 K2839 D2840 | R2744-N2792 CarbonylContact O-C 3.54Å; R2744-N2792 WeakPolarHBondContact O-CA 3.24Å; R2744-L2793 PolarHBondContact O-N 3.18Å; R2744-L2837 VanDerWaalsContact CZ-O 3.26Å; R2744-L2837 PolarHBondContact NH1-O 3.06Å; R2744-L2837 PolarHBondContact NH2-O 3.31Å; R2744-K2839 VanDerWaalsContact NH2-C 3.34Å; R2744-K2839 PolarHBondContact NH2-O 3.3Å; R2744-K2839 VanDerWaalsContact NH2-O 3.17Å; R2744-D2840 IonicContact CZ-OD1 3.34Å; R2744-D2840 VanDerWaalsContact CZ-OD1 3.23Å; R2744-D2840 IonicContact NE-OD1 3.16Å; R2744-D2840 PolarHBondContact NE-OD1 3.04Å; R2744-D2840 IonicContact NH2-OD1 3.7Å; R2744-D2840 PolarHBondContact NH2-OD1 3.01Å |
| 2745 | H | 96.8 | Very high | 94.3 | Very high | 129 Ų | 129 | 41.9 Ų | 41.9 | 60% | 0.597 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.8 | 177.9 | -52.6 | 45.5 | 0 | 0 | 0 | 107.5 | P2743 Y2791 N2792 | P2743-H2745 VanDerWaalsContact C-N 3.27Å; P2743-H2745 VanDerWaalsContact CB-O 3.32Å; P2743-H2745 WeakPolarHBondContact CB-O 3.29Å; P2743-H2745 WeakPolarHBondContact CG-O 3.35Å; P2743-H2745 PolarHBondContact O-N 3.05Å; H2745-Y2791 CarbonylContact C-O 3.56Å; H2745-Y2791 WeakPolarHBondContact CA-O 3.29Å; H2745-N2792 PolarHBondContact CD2-OD1 3.4Å; H2745-N2792 PolarHBondContact CE1-OD1 3.29Å; H2745-N2792 VanDerWaalsContact CE1-OD1 3.25Å; H2745-N2792 PolarHBondContact ND1-OD1 3.09Å; H2745-N2792 PolarHBondContact NE2-OD1 2.93Å |
| 2746 | L | 97.1 | Very high | 94 | Very high | 6.8 Ų | 6.8 | 41.2 Ų | 41.2 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120 | -174.4 | 178.8 | 63.2 | 0 | 0 | 0 | 108.8 | L2674 I2675 L2678 I2719 P2743 M2748 Y2791 Y2879 | L2674-L2746 HydrophobicContact CD2-CD2 4.07Å; I2675-L2746 HydrophobicContact CD1-CD1 3.67Å; L2678-L2746 HydrophobicContact CD1-CD1 3.94Å; L2678-L2746 HydrophobicContact CD1-CD2 4.35Å; I2719-L2746 HydrophobicContact CD1-CD2 4.02Å; P2743-L2746 HydrophobicContact CG-CB 4.44Å; P2743-L2746 HydrophobicContact CG-CD1 4.22Å; L2746-M2748 HydrophobicContact CD1-SD 4.28Å; L2746-M2748 HydrophobicContact CD2-CG 4.49Å; L2746-M2748 HydrophobicContact CD2-SD 3.64Å; L2746-M2748 HydrophobicContact CG-CG 4.37Å; L2746-M2748 HydrophobicContact CG-SD 3.77Å; L2746-Y2791 PolarHBondContact N-O 3.21Å; L2746-Y2791 PolarHBondContact O-N 3.35Å; L2746-Y2879 HydrophobicContact CB-CD1 3.99Å; L2746-Y2879 HydrophobicContact CB-CE1 3.74Å; L2746-Y2879 HydrophobicContact CD2-CD1 4.18Å; L2746-Y2879 HydrophobicContact CD2-CD2 4.25Å; L2746-Y2879 HydrophobicContact CD2-CE1 4.06Å; L2746-Y2879 HydrophobicContact CD2-CE2 4.11Å; L2746-Y2879 HydrophobicContact CD2-CG 4.27Å |
| 2747 | D | 96.8 | Very high | 93.7 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.2 | 171 | -169.4 | -6.6 | 0 | 0 | 0 | 109.1 | L2749 T2789 K2790 | D2747-L2749 WeakPolarHBondContact OD1-CB 3.43Å; D2747-L2749 PolarHBondContact OD1-N 3.17Å; D2747-T2789 VanDerWaalsContact OD1-CB 3.3Å; D2747-T2789 WeakPolarHBondContact OD1-CB 3.34Å; D2747-T2789 PolarHBondContact OD1-OG1 3.33Å; D2747-K2790 HydrophobicContact CB-CG 4.41Å |
| 2748 | M | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -89.2 | -6.2 | -179.1 | -66.3 | -61 | -63.2 | 0 | 0 | 113.5 | L2664 L2678 I2710 L2713 L2717 L2746 P2750 Y2751 T2752 T2789 Y2791 | L2664-M2748 HydrophobicContact CD2-CE 4.26Å; L2678-M2748 HydrophobicContact CD1-CE 4.41Å; L2678-M2748 HydrophobicContact CD1-SD 4.04Å; L2678-M2748 HydrophobicContact CD2-CE 4.25Å; I2710-M2748 HydrophobicContact CD1-CE 3.43Å; I2710-M2748 VanDerWaalsContact CD1-CE 3.43Å; L2713-M2748 HydrophobicContact CD1-CB 4.03Å; L2713-M2748 HydrophobicContact CD2-CB 3.76Å; L2713-M2748 HydrophobicContact CD2-CG 4.09Å; L2717-M2748 HydrophobicContact CD2-CE 3.84Å; L2717-M2748 HydrophobicContact CD2-CG 3.95Å; L2717-M2748 HydrophobicContact CD2-SD 3.79Å; L2746-M2748 HydrophobicContact CD1-SD 4.28Å; L2746-M2748 HydrophobicContact CD2-CG 4.49Å; L2746-M2748 HydrophobicContact CD2-SD 3.64Å; L2746-M2748 HydrophobicContact CG-CG 4.37Å; L2746-M2748 HydrophobicContact CG-SD 3.77Å; M2748-P2750 VanDerWaalsContact C-CD 3.43Å; M2748-Y2751 HydrophobicContact CE-CD2 3.93Å; M2748-Y2751 HydrophobicContact CE-CG 4.48Å; M2748-Y2751 PolarHBondContact O-N 3.28Å; M2748-Y2751 HydrophobicContact SD-CD2 4.03Å; M2748-Y2751 HydrophobicContact SD-CE2 4.47Å; M2748-T2752 PolarHBondContact O-N 3.25Å; M2748-T2789 WeakPolarHBondContact CB-O 3.35Å; M2748-T2789 PolarHBondContact N-O 3.27Å; M2748-Y2791 HydrophobicContact CB-CD2 4.43Å; M2748-Y2791 HydrophobicContact CB-CE2 4.16Å; M2748-Y2791 HydrophobicContact CG-CD2 3.7Å; M2748-Y2791 HydrophobicContact CG-CE2 3.66Å | ||
| 2749 | L | 94.9 | Very high | 92.2 | Very high | 52.6 Ų | 52.6 | 47 Ų | 47 | 28% | 0.275 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -49.7 | -47.3 | -175.3 | 179.2 | 63.3 | 0 | 0 | 0 | 113.6 | D2747 Y2751 T2752 G2755 T2789 | D2747-L2749 WeakPolarHBondContact OD1-CB 3.43Å; D2747-L2749 PolarHBondContact OD1-N 3.17Å; L2749-Y2751 PolarHBondContact O-N 3.14Å; L2749-Y2751 VanDerWaalsContact O-N 3.1Å; L2749-T2752 PolarHBondContact O-N 3.04Å; L2749-T2752 VanDerWaalsContact O-N 3.08Å; L2749-T2752 PolarHBondContact O-OG1 3.04Å; L2749-G2755 WeakPolarHBondContact O-CA 3.39Å; L2749-T2789 HydrophobicContact CB-CG2 3.84Å; L2749-T2789 HydrophobicContact CD1-CG2 3.92Å; L2749-T2789 HydrophobicContact CG-CG2 4.45Å |
| 2750 | P | 94.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 46.2 Ų | 46.2 | 43% | 0.429 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -59.8 | -25.1 | -179 | -23.5 | 35.5 | 0 | 0 | 0 | 114 | M2748 L2756 | M2748-P2750 VanDerWaalsContact C-CD 3.43Å; P2750-L2756 WeakPolarHBondContact O-CD2 3.35Å |
| 2751 | Y | 94.5 | Very high | 88.8 | Confident | 19.2 Ų | 19.2 | 52.5 Ų | 52.5 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -95.7 | 2.4 | -177 | -39.5 | -69.4 | 0 | 0 | 0 | 113.6 | I2675 L2678 E2679 V2682 I2710 M2748 L2749 | I2675-Y2751 WeakPolarHBondContact CG2-OH 3.35Å; I2675-Y2751 PolarHBondContact O-OH 3.34Å; L2678-Y2751 VanDerWaalsContact C-CE1 3.47Å; L2678-Y2751 HydrophobicContact CB-CD1 3.93Å; L2678-Y2751 HydrophobicContact CB-CD2 4.2Å; L2678-Y2751 HydrophobicContact CB-CE1 3.62Å; L2678-Y2751 VanDerWaalsContact CB-CE1 3.49Å; L2678-Y2751 HydrophobicContact CB-CE2 3.91Å; L2678-Y2751 HydrophobicContact CB-CG 4.22Å; L2678-Y2751 HydrophobicContact CD1-CD2 4.24Å; L2678-Y2751 HydrophobicContact CD1-CE2 3.82Å; L2678-Y2751 HydrophobicContact CG-CE2 4.46Å; L2678-Y2751 WeakPolarHBondContact O-CD1 3.38Å; E2679-Y2751 HydrophobicContact CB-CE1 4.37Å; V2682-Y2751 HydrophobicContact CG2-CD1 3.9Å; V2682-Y2751 HydrophobicContact CG2-CG 4.4Å; I2710-Y2751 PolarHBondContact N-O 2.94Å; M2748-Y2751 HydrophobicContact CE-CD2 3.93Å; M2748-Y2751 HydrophobicContact CE-CG 4.48Å; M2748-Y2751 PolarHBondContact O-N 3.28Å; M2748-Y2751 HydrophobicContact SD-CD2 4.03Å; M2748-Y2751 HydrophobicContact SD-CE2 4.47Å; L2749-Y2751 PolarHBondContact O-N 3.14Å; L2749-Y2751 VanDerWaalsContact O-N 3.1Å |
| 2752 | T | 94.2 | Very high | 86.4 | Confident | 11.6 Ų | 11.6 | 54.2 Ų | 54.2 | 7% | 0.071 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 158.7 | 177.3 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | I2710 L2713 M2748 L2749 Q2754 G2755 L2756 | I2710-T2752 HydrophobicContact CB-CG2 4.49Å; I2710-T2752 CarbonylContact O-C 3.46Å; I2710-T2752 VanDerWaalsContact O-CA 3.23Å; I2710-T2752 WeakPolarHBondContact O-CA 3.33Å; L2713-T2752 HydrophobicContact CD1-CG2 3.73Å; L2713-T2752 HydrophobicContact CG-CG2 4.13Å; M2748-T2752 PolarHBondContact O-N 3.25Å; L2749-T2752 PolarHBondContact O-N 3.04Å; L2749-T2752 VanDerWaalsContact O-N 3.08Å; L2749-T2752 PolarHBondContact O-OG1 3.04Å; T2752-Q2754 PolarHBondContact O-N 3.08Å; T2752-Q2754 VanDerWaalsContact O-N 3.16Å; T2752-Q2754 PolarHBondContact OG1-N 3.07Å; T2752-G2755 PolarHBondContact O-N 3.21Å; T2752-G2755 PolarHBondContact OG1-N 3.13Å; T2752-G2755 VanDerWaalsContact OG1-N 3.1Å; T2752-L2756 WeakPolarHBondContact O-CB 3.27Å; T2752-L2756 WeakPolarHBondContact O-CD1 3.47Å; T2752-L2756 VanDerWaalsContact O-CG 3.29Å; T2752-L2756 WeakPolarHBondContact O-CG 3.26Å; T2752-L2756 PolarHBondContact O-N 3.12Å; T2752-L2756 VanDerWaalsContact O-N 3.14Å |
| 2753 | V | 91.7 | Very high | 83.8 | Confident | 13.8 Ų | 13.8 | 58 Ų | 58 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.7 | -32 | 169.5 | 175.7 | 0 | 0 | 0 | 0 | 112 | A2643 C2709 I2710 Q2711 K2757 | A2643-V2753 HydrophobicContact CB-CG2 3.86Å; C2709-V2753 HydrophobicContact CB-CG2 4.47Å; C2709-V2753 VanDerWaalsContact SG-CG2 3.58Å; I2710-V2753 PolarHBondContact O-N 3.17Å; Q2711-V2753 HydrophobicContact CB-CG2 4.26Å; V2753-K2757 WeakPolarHBondContact O-CG 3.43Å; V2753-K2757 PolarHBondContact O-N 3.18Å |
| 2754 | Q | 89.5 | Confident | 80.7 | Confident | 84.2 Ų | 84.2 | 61.9 Ų | 61.9 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.8 | -56.1 | -179.6 | -178 | 54.3 | 37.3 | 0 | 0 | 111.8 | T2752 L2756 K2757 D2758 | T2752-Q2754 PolarHBondContact O-N 3.08Å; T2752-Q2754 VanDerWaalsContact O-N 3.16Å; T2752-Q2754 PolarHBondContact OG1-N 3.07Å; Q2754-L2756 PolarHBondContact O-N 3.17Å; Q2754-L2756 VanDerWaalsContact O-N 3.1Å; Q2754-K2757 WeakPolarHBondContact O-CA 3.35Å; Q2754-K2757 WeakPolarHBondContact O-CB 3.24Å; Q2754-K2757 PolarHBondContact O-N 3.28Å; Q2754-D2758 PolarHBondContact NE2-OD1 3.18Å; Q2754-D2758 PolarHBondContact NE2-OD2 3.19Å; Q2754-D2758 PolarHBondContact O-N 3.22Å; Q2754-D2758 VanDerWaalsContact O-N 3.1Å |
| 2755 | G | 90.3 | Very high | 77.9 | Confident | 9.2 Ų | 9.2 | 64.4 Ų | 64.4 | 10% | 0.095 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.6 | -25.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L2749 T2752 K2757 D2758 S2759 | L2749-G2755 WeakPolarHBondContact O-CA 3.39Å; T2752-G2755 PolarHBondContact O-N 3.21Å; T2752-G2755 PolarHBondContact OG1-N 3.13Å; T2752-G2755 VanDerWaalsContact OG1-N 3.1Å; G2755-K2757 VanDerWaalsContact C-N 3.34Å; G2755-K2757 PolarHBondContact O-N 2.85Å; G2755-D2758 PolarHBondContact O-N 2.9Å; G2755-S2759 WeakPolarHBondContact O-CB 3.33Å; G2755-S2759 PolarHBondContact O-N 3.33Å; G2755-S2759 PolarHBondContact O-OG 3.11Å; G2755-S2759 VanDerWaalsContact O-OG 3.05Å |
| 2756 | L | 88.6 | Confident | 75.2 | Confident | 13.4 Ų | 13.4 | 65.8 Ų | 65.8 | 7% | 0.07 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -75.8 | -23.2 | 172.5 | -71.3 | 171 | 0 | 0 | 0 | 114.9 | V2682 C2709 P2750 T2752 Q2754 S2759 T2760 | V2682-L2756 HydrophobicContact CG1-CD1 3.91Å; V2682-L2756 HydrophobicContact CG1-CD2 3.36Å; V2682-L2756 VanDerWaalsContact CG1-CD2 3.42Å; V2682-L2756 HydrophobicContact CG1-CG 4.14Å; V2682-L2756 HydrophobicContact CG2-CD1 4.39Å; V2682-L2756 HydrophobicContact CG2-CD2 4.44Å; C2709-L2756 HydrophobicContact CB-CD1 3.43Å; C2709-L2756 VanDerWaalsContact CB-CD1 3.45Å; P2750-L2756 WeakPolarHBondContact O-CD2 3.35Å; T2752-L2756 WeakPolarHBondContact O-CB 3.27Å; T2752-L2756 WeakPolarHBondContact O-CD1 3.47Å; T2752-L2756 VanDerWaalsContact O-CG 3.29Å; T2752-L2756 WeakPolarHBondContact O-CG 3.26Å; T2752-L2756 PolarHBondContact O-N 3.12Å; T2752-L2756 VanDerWaalsContact O-N 3.14Å; Q2754-L2756 PolarHBondContact O-N 3.17Å; Q2754-L2756 VanDerWaalsContact O-N 3.1Å; L2756-S2759 WeakPolarHBondContact CA-OG 3.39Å; L2756-S2759 PolarHBondContact O-OG 3.06Å; L2756-T2760 WeakPolarHBondContact O-CB 3.48Å; L2756-T2760 WeakPolarHBondContact O-CG2 3.29Å; L2756-T2760 PolarHBondContact O-N 2.92Å; L2756-T2760 PolarHBondContact O-OG1 3.25Å; L2756-T2760 VanDerWaalsContact O-OG1 3.04Å |
| 2757 | K | 85.1 | Confident | 72.8 | Confident | 90.4 Ų | 90.4 | 69.4 Ų | 69.4 | 39% | 0.393 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -77.6 | -48.8 | 169.3 | -71.3 | 173.9 | 177.6 | -175.8 | 0 | 110.1 | V2753 Q2754 G2755 S2759 T2760 D2761 | V2753-K2757 WeakPolarHBondContact O-CG 3.43Å; V2753-K2757 PolarHBondContact O-N 3.18Å; Q2754-K2757 WeakPolarHBondContact O-CA 3.35Å; Q2754-K2757 WeakPolarHBondContact O-CB 3.24Å; Q2754-K2757 PolarHBondContact O-N 3.28Å; G2755-K2757 VanDerWaalsContact C-N 3.34Å; G2755-K2757 PolarHBondContact O-N 2.85Å; K2757-S2759 PolarHBondContact O-N 3.25Å; K2757-S2759 VanDerWaalsContact O-N 3.08Å; K2757-T2760 PolarHBondContact O-N 3.32Å; K2757-T2760 PolarHBondContact O-OG1 2.97Å; K2757-T2760 VanDerWaalsContact O-OG1 3.06Å; K2757-D2761 PolarHBondContact O-N 3.06Å |
| 2758 | D | 79.4 | Confident | 70.4 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 47% | 0.471 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.5 | -30.8 | -178.1 | -61.1 | -33.8 | 0 | 0 | 0 | 112.7 | Q2754 G2755 S2762 | Q2754-D2758 PolarHBondContact NE2-OD1 3.18Å; Q2754-D2758 PolarHBondContact NE2-OD2 3.19Å; Q2754-D2758 PolarHBondContact O-N 3.22Å; Q2754-D2758 VanDerWaalsContact O-N 3.1Å; G2755-D2758 PolarHBondContact O-N 2.9Å; D2758-S2762 PolarHBondContact O-OG 3.47Å; D2758-S2762 VanDerWaalsContact O-OG 3.05Å |
| 2759 | S | 75.2 | Confident | 68.2 | Low | 74.6 Ų | 74.6 | 74.6 Ų | 74.6 | 52% | 0.522 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -82.3 | -27.3 | 173.7 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | G2755 L2756 K2757 | G2755-S2759 WeakPolarHBondContact O-CB 3.33Å; G2755-S2759 PolarHBondContact O-N 3.33Å; G2755-S2759 PolarHBondContact O-OG 3.11Å; G2755-S2759 VanDerWaalsContact O-OG 3.05Å; L2756-S2759 WeakPolarHBondContact CA-OG 3.39Å; L2756-S2759 PolarHBondContact O-OG 3.06Å; K2757-S2759 PolarHBondContact O-N 3.25Å; K2757-S2759 VanDerWaalsContact O-N 3.08Å |
| 2760 | T | 64 | Low | 66.1 | Low | 65.4 Ų | 65.4 | 75.2 Ų | 75.2 | 40% | 0.401 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -88.8 | -26.6 | -179.8 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | L2756 K2757 S2762 S2763 | L2756-T2760 WeakPolarHBondContact O-CB 3.48Å; L2756-T2760 WeakPolarHBondContact O-CG2 3.29Å; L2756-T2760 PolarHBondContact O-N 2.92Å; L2756-T2760 PolarHBondContact O-OG1 3.25Å; L2756-T2760 VanDerWaalsContact O-OG1 3.04Å; K2757-T2760 PolarHBondContact O-N 3.32Å; K2757-T2760 PolarHBondContact O-OG1 2.97Å; K2757-T2760 VanDerWaalsContact O-OG1 3.06Å; T2760-S2762 PolarHBondContact O-N 3.35Å; T2760-S2763 CarbonylContact O-C 3.58Å; T2760-S2763 WeakPolarHBondContact O-CA 3.31Å; T2760-S2763 WeakPolarHBondContact O-CB 3.5Å; T2760-S2763 PolarHBondContact O-N 3.29Å; T2760-S2763 PolarHBondContact O-OG 3.18Å |
| 2761 | D | 52.3 | Low | 64 | Low | 131.8 Ų | 131.8 | 77.9 Ų | 77.9 | 71% | 0.705 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -4.2 | -178.4 | -74.2 | -18.9 | 0 | 0 | 0 | 113.9 | K2757 S2763 | K2757-D2761 PolarHBondContact O-N 3.06Å; D2761-S2763 VanDerWaalsContact C-N 3.27Å; D2761-S2763 PolarHBondContact O-N 3.22Å |
| 2762 | S | 46.2 | Very low | 61.7 | Low | 111.8 Ų | 111.8 | 82.5 Ų | 82.5 | 78% | 0.782 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -5.1 | 163.7 | -63.4 | 0 | 0 | 0 | 0 | 113.8 | D2758 T2760 | D2758-S2762 PolarHBondContact O-OG 3.47Å; D2758-S2762 VanDerWaalsContact O-OG 3.05Å; T2760-S2762 PolarHBondContact O-N 3.35Å |
| 2763 | S | 41.5 | Very low | 58.8 | Low | 89.8 Ų | 89.8 | 89 Ų | 89 | 63% | 0.628 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -138.2 | 89.6 | -175.8 | -24.9 | 0 | 0 | 0 | 0 | 111.9 | T2760 D2761 C2765 | T2760-S2763 CarbonylContact O-C 3.58Å; T2760-S2763 WeakPolarHBondContact O-CA 3.31Å; T2760-S2763 WeakPolarHBondContact O-CB 3.5Å; T2760-S2763 PolarHBondContact O-N 3.29Å; T2760-S2763 PolarHBondContact O-OG 3.18Å; D2761-S2763 VanDerWaalsContact C-N 3.27Å; D2761-S2763 PolarHBondContact O-N 3.22Å; S2763-C2765 PolarHBondContact O-N 3.24Å |
| 2764 | S | 32 | Very low | 56.3 | Low | 122.6 Ų | 122.6 | 94.5 Ų | 94.5 | 86% | 0.857 | 55% | 0.552 | S | S | * | * | trans | -55.6 | 120.7 | -179.2 | 62.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2765 | C | 36 | Very low | 53.6 | Low | 106.4 Ų | 106.4 | 97.3 Ų | 97.3 | 72% | 0.719 | 57% | 0.569 | S | S | * | * | trans | -146.8 | 121.9 | 158.2 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | S2763 T2767 | S2763-C2765 PolarHBondContact O-N 3.24Å; C2765-T2767 PolarHBondContact O-N 3.02Å; C2765-T2767 VanDerWaalsContact O-N 3.13Å | ||
| 2766 | I | 40.1 | Very low | 51 | Low | 159.6 Ų | 159.6 | 104.4 Ų | 104.4 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | trans | -60.8 | 105.4 | 172.2 | -56.9 | 169.9 | 0 | 0 | 0 | 110 | P2652 | P2652-I2766 VanDerWaalsContact CB-O 3.31Å; P2652-I2766 WeakPolarHBondContact CB-O 3.41Å | ||
| 2767 | T | 45.3 | Very low | 48.4 | Very low | 82.6 Ų | 82.6 | 110.6 Ų | 110.6 | 51% | 0.507 | 64% | 0.638 | S | S | . | * | trans | -107.8 | 133.5 | 170.2 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | P2652 C2765 D2769 | P2652-T2767 WeakPolarHBondContact O-CA 3.16Å; C2765-T2767 PolarHBondContact O-N 3.02Å; C2765-T2767 VanDerWaalsContact O-N 3.13Å; T2767-D2769 PolarHBondContact O-N 3.21Å | ||
| 2768 | T | 46.4 | Very low | 46 | Very low | 81.8 Ų | 81.8 | 113.6 Ų | 113.6 | 50% | 0.502 | 66% | 0.659 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 102.8 | 173.8 | 39.5 | 0 | 0 | 0 | 0 | 109.4 | P2652 R2654 V2770 | P2652-T2768 PolarHBondContact O-N 2.88Å; P2652-T2768 PolarHBondContact O-OG1 3.03Å; R2654-T2768 PolarHBondContact N-O 2.87Å; R2654-T2768 VanDerWaalsContact N-O 3.17Å; T2768-V2770 PolarHBondContact O-N 3.3Å; T2768-V2770 VanDerWaalsContact O-N 3.11Å |
| 2769 | D | 51.4 | Low | 44 | Very low | 92.2 Ų | 92.2 | 116.6 Ų | 116.6 | 49% | 0.493 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.8 | 115 | 171 | -81.3 | -22.8 | 0 | 0 | 0 | 109.9 | R2654 T2767 I2771 | R2654-D2769 WeakPolarHBondContact CB-OD1 3.37Å; R2654-D2769 VanDerWaalsContact CD-OD1 3.26Å; R2654-D2769 WeakPolarHBondContact CD-OD1 3.3Å; R2654-D2769 WeakPolarHBondContact CG-OD1 3.32Å; R2654-D2769 IonicContact CZ-OD1 3.28Å; R2654-D2769 IonicContact NE-OD1 3.02Å; R2654-D2769 IonicContact NH1-OD1 3.08Å; R2654-D2769 PolarHBondContact NH1-OD1 3.14Å; R2654-D2769 IonicContact NH1-OD2 3.34Å; R2654-D2769 PolarHBondContact NH1-OD2 2.86Å; T2767-D2769 PolarHBondContact O-N 3.21Å; D2769-I2771 VanDerWaalsContact C-N 3.27Å; D2769-I2771 HydrophobicContact CB-CG1 4.48Å; D2769-I2771 PolarHBondContact O-N 3.25Å |
| 2770 | V | 50.1 | Low | 42 | Very low | 64.2 Ų | 64.2 | 120.6 Ų | 120.6 | 39% | 0.389 | 69% | 0.69 | S | S | . | * | trans | -98 | 89.5 | 174.7 | -177 | 0 | 0 | 0 | 0 | 108.6 | R2654 L2697 T2768 N2772 | R2654-V2770 PolarHBondContact O-N 3.17Å; L2697-V2770 HydrophobicContact CD1-CB 4.18Å; L2697-V2770 HydrophobicContact CD1-CG1 4.14Å; L2697-V2770 HydrophobicContact CD1-CG2 3.75Å; T2768-V2770 PolarHBondContact O-N 3.3Å; T2768-V2770 VanDerWaalsContact O-N 3.11Å; V2770-N2772 PolarHBondContact O-N 3.18Å | ||
| 2771 | I | 49.8 | Very low | 40.7 | Very low | 122.8 Ų | 122.8 | 124.2 Ų | 124.2 | 63% | 0.63 | 71% | 0.707 | S | S | * | * | trans | -72.5 | 120.7 | 170.5 | -58.5 | 175.2 | 0 | 0 | 0 | 107.7 | D2769 N2773 | D2769-I2771 VanDerWaalsContact C-N 3.27Å; D2769-I2771 HydrophobicContact CB-CG1 4.48Å; D2769-I2771 PolarHBondContact O-N 3.25Å; I2771-N2773 PolarHBondContact O-N 3.19Å; I2771-N2773 VanDerWaalsContact O-N 3.13Å | ||
| 2772 | N | 45.4 | Very low | 39.8 | Very low | 116.2 Ų | 116.2 | 125.5 Ų | 125.5 | 62% | 0.621 | 71% | 0.714 | S | S | * | * | trans | -71.4 | 110.1 | 169.6 | -77 | -36.6 | 0 | 0 | 0 | 108.6 | V2770 T2774 | V2770-N2772 PolarHBondContact O-N 3.18Å; N2772-T2774 PolarHBondContact O-N 2.94Å | ||
| 2773 | N | 33.6 | Very low | 39.2 | Very low | 148.6 Ų | 148.6 | 127 Ų | 127 | 80% | 0.795 | 71% | 0.713 | S | S | * | * | trans | -60 | 107 | 178.2 | -75.2 | -21.5 | 0 | 0 | 0 | 112 | I2771 | I2771-N2773 PolarHBondContact O-N 3.19Å; I2771-N2773 VanDerWaalsContact O-N 3.13Å | ||
| 2774 | T | 39 | Very low | 39.3 | Very low | 129.4 Ų | 129.4 | 129.8 Ų | 129.8 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | -112.1 | 133.5 | 145.4 | 46 | 0 | 0 | 0 | 0 | 107.2 | N2772 D2776 | N2772-T2774 PolarHBondContact O-N 2.94Å; T2774-D2776 VanDerWaalsContact C-N 3.34Å; T2774-D2776 PolarHBondContact O-N 3.15Å; T2774-D2776 VanDerWaalsContact O-N 3.13Å | ||
| 2775 | N | 33.3 | Very low | 40.2 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | -71 | 101.9 | -163.7 | -58.4 | -49.6 | 0 | 0 | 0 | 113.4 | N2777 | N2775-N2777 VanDerWaalsContact C-N 3.29Å; N2775-N2777 PolarHBondContact O-N 2.89Å | ||
| 2776 | D | 36 | Very low | 41.3 | Very low | 158.2 Ų | 158.2 | 132.1 Ų | 132.1 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | trans | -121.4 | 73.4 | 156.8 | -93.4 | -29.1 | 0 | 0 | 0 | 109.8 | T2774 N2778 | T2774-D2776 VanDerWaalsContact C-N 3.34Å; T2774-D2776 PolarHBondContact O-N 3.15Å; T2774-D2776 VanDerWaalsContact O-N 3.13Å; D2776-N2778 VanDerWaalsContact C-N 3.34Å; D2776-N2778 PolarHBondContact O-N 3.12Å; D2776-N2778 VanDerWaalsContact O-N 3.14Å | ||
| 2777 | N | 34 | Very low | 43 | Very low | 144.6 Ų | 144.6 | 129.1 Ų | 129.1 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -87.8 | 83.8 | 172 | -78.4 | -35.9 | 0 | 0 | 0 | 109.5 | N2775 | N2775-N2777 VanDerWaalsContact C-N 3.29Å; N2775-N2777 PolarHBondContact O-N 2.89Å | ||
| 2778 | N | 35 | Very low | 45.2 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | trans | -170.1 | 59.6 | 157.5 | -99.8 | -18.5 | 0 | 0 | 0 | 114 | D2776 N2780 | D2776-N2778 VanDerWaalsContact C-N 3.34Å; D2776-N2778 PolarHBondContact O-N 3.12Å; D2776-N2778 VanDerWaalsContact O-N 3.14Å; N2778-N2780 PolarHBondContact O-N 3.41Å | ||
| 2779 | D | 38.2 | Very low | 47.5 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | trans | -134.3 | 75.1 | 150.7 | -101.2 | -21.7 | 0 | 0 | 0 | 111.5 | N2781 | D2779-N2781 VanDerWaalsContact C-N 3.32Å; D2779-N2781 PolarHBondContact O-N 3.18Å; D2779-N2781 PolarHBondContact OD1-ND2 3.48Å | ||
| 2780 | N | 32.1 | Very low | 49.7 | Very low | 159.6 Ų | 159.6 | 124.1 Ų | 124.1 | 85% | 0.853 | 67% | 0.673 | S | S | * | * | trans | -93.5 | 71.6 | 166.3 | -88.5 | -35.1 | 0 | 0 | 0 | 109.6 | N2778 | N2778-N2780 PolarHBondContact O-N 3.41Š| ||
| 2781 | N | 36.5 | Very low | 52 | Low | 139 Ų | 139 | 121.1 Ų | 121.1 | 74% | 0.743 | 65% | 0.654 | S | S | * | * | trans | -120.1 | 109 | 166.8 | -81 | -43.8 | 0 | 0 | 0 | 109.9 | D2779 D2783 | D2779-N2781 VanDerWaalsContact C-N 3.32Å; D2779-N2781 PolarHBondContact O-N 3.18Å; D2779-N2781 PolarHBondContact OD1-ND2 3.48Å; N2781-D2783 PolarHBondContact O-N 2.89Å; N2781-D2783 VanDerWaalsContact O-N 3.13Å | ||
| 2782 | N | 32.9 | Very low | 54.3 | Low | 159.4 Ų | 159.4 | 116.5 Ų | 116.5 | 85% | 0.852 | 63% | 0.631 | S | S | * | * | trans | -79.6 | 92.1 | 169.3 | -66 | -60.9 | 0 | 0 | 0 | 109.4 | ||||
| 2783 | D | 34 | Very low | 56.7 | Low | 144.2 Ų | 144.2 | 111.1 Ų | 111.1 | 77% | 0.771 | 60% | 0.602 | S | S | * | * | trans | -167.3 | 123.4 | 156.6 | -100.5 | -28.2 | 0 | 0 | 0 | 109 | N2781 N2785 | N2781-D2783 PolarHBondContact O-N 2.89Å; N2781-D2783 VanDerWaalsContact O-N 3.13Å; D2783-N2785 VanDerWaalsContact C-N 3.29Å; D2783-N2785 PolarHBondContact O-N 2.94Å; D2783-N2785 PolarHBondContact O-ND2 2.81Å | ||
| 2784 | D | 44.6 | Very low | 59.7 | Low | 147.4 Ų | 147.4 | 104.9 Ų | 104.9 | 79% | 0.788 | 57% | 0.568 | S | S | * | * | 158.2 | 116.5 | 123.1 | -102.1 | -25.9 | 0 | 0 | 0 | 116 | N2786 | D2784-N2786 VanDerWaalsContact C-N 3.28Å; D2784-N2786 PolarHBondContact O-N 2.95Å | |||
| 2785 | N | 50.1 | Low | 62.5 | Low | 152.4 Ų | 152.4 | 98.7 Ų | 98.7 | 82% | 0.815 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -64.7 | 98.9 | 171.9 | -71.4 | -78.9 | 0 | 0 | 0 | 113.8 | D2783 | D2783-N2785 VanDerWaalsContact C-N 3.29Å; D2783-N2785 PolarHBondContact O-N 2.94Å; D2783-N2785 PolarHBondContact O-ND2 2.81Å |
| 2786 | N | 60.4 | Low | 65.6 | Low | 125 Ų | 125 | 92 Ų | 92 | 67% | 0.668 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 54.4 | 92.3 | 162.8 | -161.5 | 15.4 | 0 | 0 | 0 | 114.4 | D2784 | D2784-N2786 VanDerWaalsContact C-N 3.28Å; D2784-N2786 PolarHBondContact O-N 2.95Å |
| 2787 | P | 74.7 | Confident | 68.6 | Low | 97 Ų | 97 | 84.4 Ų | 84.4 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | trans | -64 | 143.7 | -172.3 | 27.2 | -35.4 | 0 | 0 | 0 | 112.7 | T2789 | P2787-T2789 WeakPolarHBondContact O-CG2 3.35Å; P2787-T2789 PolarHBondContact O-N 3.01Å | ||
| 2788 | C | 91.6 | Very high | 71.7 | Confident | 32.6 Ų | 32.6 | 77.5 Ų | 77.5 | 22% | 0.22 | 42% | 0.416 | C | S | . | . | trans | -59.6 | 124.3 | -179.6 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | R2881 D2883 | C2788-R2881 HydrophobicContact CB-CG 4.41Å; C2788-R2881 VanDerWaalsContact O-CD 3.28Å; C2788-R2881 WeakPolarHBondContact O-CD 3.32Å; C2788-D2883 HydrophobicContact CB-CB 4.04Å; C2788-D2883 VanDerWaalsContact CB-CG 3.49Å | ||
| 2789 | T | 95.4 | Very high | 74.7 | Confident | 18.2 Ų | 18.2 | 70.3 Ų | 70.3 | 11% | 0.112 | 38% | 0.378 | C | S | . | . | trans | -105.7 | -6.6 | 179.4 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | L2713 D2747 M2748 L2749 P2787 Y2791 | L2713-T2789 HydrophobicContact CD1-CG2 4.07Å; D2747-T2789 VanDerWaalsContact OD1-CB 3.3Å; D2747-T2789 WeakPolarHBondContact OD1-CB 3.34Å; D2747-T2789 PolarHBondContact OD1-OG1 3.33Å; M2748-T2789 WeakPolarHBondContact CB-O 3.35Å; M2748-T2789 PolarHBondContact N-O 3.27Å; L2749-T2789 HydrophobicContact CB-CG2 3.84Å; L2749-T2789 HydrophobicContact CD1-CG2 3.92Å; L2749-T2789 HydrophobicContact CG-CG2 4.45Å; P2787-T2789 WeakPolarHBondContact O-CG2 3.35Å; P2787-T2789 PolarHBondContact O-N 3.01Å; T2789-Y2791 VanDerWaalsContact O-CD2 3.31Å; T2789-Y2791 WeakPolarHBondContact O-CD2 3.27Å; T2789-Y2791 WeakPolarHBondContact O-CE2 3.45Å | ||
| 2790 | K | 97.4 | Very high | 77.4 | Confident | 100.8 Ų | 100.8 | 63.9 Ų | 63.9 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 139.7 | -171.9 | -67.7 | 176.4 | -179.4 | 175.5 | 0 | 111.6 | D2747 R2881 E2882 | D2747-K2790 HydrophobicContact CB-CG 4.41Å; K2790-R2881 CarbonylContact O-C 3.55Å; K2790-R2881 WeakPolarHBondContact O-CA 3.34Å; K2790-R2881 WeakPolarHBondContact O-CG 3.35Å; K2790-E2882 VanDerWaalsContact CB-CD 3.49Å; K2790-E2882 HydrophobicContact CB-CG 3.91Å; K2790-E2882 VanDerWaalsContact CB-OE2 3.29Å; K2790-E2882 WeakPolarHBondContact CB-OE2 3.42Å; K2790-E2882 VanDerWaalsContact CD-OE2 3.25Å; K2790-E2882 WeakPolarHBondContact CD-OE2 3.42Å; K2790-E2882 PolarHBondContact O-N 3.16Å |
| 2791 | Y | 98.2 | Very high | 80.4 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 149.8 | -178.9 | -67.6 | -99.8 | 0 | 0 | 0 | 112.6 | L2713 P2714 L2717 H2745 L2746 M2748 T2789 Y2879 E2880 R2881 | L2713-Y2791 WeakPolarHBondContact CB-OH 3.26Å; L2713-Y2791 HydrophobicContact CD1-CE2 4.38Å; L2713-Y2791 HydrophobicContact CD2-CE2 4.05Å; L2713-Y2791 WeakPolarHBondContact CD2-OH 3.42Å; P2714-Y2791 WeakPolarHBondContact O-CE1 3.27Å; P2714-Y2791 PolarHBondContact O-OH 3.17Å; L2717-Y2791 HydrophobicContact CB-CD1 4.12Å; L2717-Y2791 HydrophobicContact CB-CE1 3.71Å; H2745-Y2791 CarbonylContact C-O 3.56Å; H2745-Y2791 WeakPolarHBondContact CA-O 3.29Å; L2746-Y2791 PolarHBondContact N-O 3.21Å; L2746-Y2791 PolarHBondContact O-N 3.35Å; M2748-Y2791 HydrophobicContact CB-CD2 4.43Å; M2748-Y2791 HydrophobicContact CB-CE2 4.16Å; M2748-Y2791 HydrophobicContact CG-CD2 3.7Å; M2748-Y2791 HydrophobicContact CG-CE2 3.66Å; T2789-Y2791 VanDerWaalsContact O-CD2 3.31Å; T2789-Y2791 WeakPolarHBondContact O-CD2 3.27Å; T2789-Y2791 WeakPolarHBondContact O-CE2 3.45Å; Y2791-Y2879 WeakPolarHBondContact CD1-O 3.38Å; Y2791-E2880 CarbonylContact C-O 3.48Å; Y2791-E2880 VanDerWaalsContact CA-O 3.26Å; Y2791-E2880 WeakPolarHBondContact CA-O 3.42Å; Y2791-R2881 HydrophobicContact CD1-CB 3.87Å; Y2791-R2881 HydrophobicContact CD1-CG 4.11Å; Y2791-R2881 VanDerWaalsContact CD1-N 3.33Å; Y2791-R2881 HydrophobicContact CD2-CG 4.36Å; Y2791-R2881 HydrophobicContact CE1-CB 3.62Å; Y2791-R2881 HydrophobicContact CE1-CG 3.73Å; Y2791-R2881 HydrophobicContact CE2-CG 4Å; Y2791-R2881 HydrophobicContact CG-CG 4.41Å; Y2791-R2881 WeakPolarHBondContact OH-CD 3.32Å |
| 2792 | N | 97.1 | Very high | 83 | Confident | 26.2 Ų | 26.2 | 56.2 Ų | 56.2 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133 | 172.9 | -70.1 | -77.5 | 0 | 0 | 0 | 110.3 | R2744 H2745 R2794 Y2879 E2880 E2882 | R2744-N2792 CarbonylContact O-C 3.54Å; R2744-N2792 WeakPolarHBondContact O-CA 3.24Å; H2745-N2792 PolarHBondContact CD2-OD1 3.4Å; H2745-N2792 PolarHBondContact CE1-OD1 3.29Å; H2745-N2792 VanDerWaalsContact CE1-OD1 3.25Å; H2745-N2792 PolarHBondContact ND1-OD1 3.09Å; H2745-N2792 PolarHBondContact NE2-OD1 2.93Å; N2792-R2794 PolarHBondContact O-N 3.21Å; N2792-R2794 VanDerWaalsContact O-N 3.13Å; N2792-Y2879 CarbonylContact O-C 3.45Å; N2792-Y2879 WeakPolarHBondContact O-CA 3.34Å; N2792-E2880 PolarHBondContact N-O 3.04Å; N2792-E2880 PolarHBondContact O-N 3.39Å; N2792-E2882 VanDerWaalsContact ND2-CG 3.34Å; N2792-E2882 WeakPolarHBondContact ND2-CG 3.39Å |
| 2793 | L | 97.7 | Very high | 85.7 | Confident | 2.6 Ų | 2.6 | 49.7 Ų | 49.7 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 119 | 174.2 | -175.3 | 71.4 | 0 | 0 | 0 | 109.7 | F2742 R2744 V2796 R2813 W2824 W2847 L2877 Y2879 | F2742-L2793 HydrophobicContact CD2-CD1 4.45Å; F2742-L2793 HydrophobicContact CD2-CD2 4.15Å; F2742-L2793 HydrophobicContact CE2-CD1 4.36Å; F2742-L2793 HydrophobicContact CE2-CD2 3.83Å; R2744-L2793 PolarHBondContact O-N 3.18Å; L2793-V2796 HydrophobicContact CD1-CG2 4.06Å; L2793-V2796 HydrophobicContact CD2-CG2 3.93Å; L2793-V2796 HydrophobicContact CG-CG2 4.26Å; L2793-R2813 PolarHBondContact O-NE 3.18Å; L2793-R2813 PolarHBondContact O-NH2 3.13Å; L2793-W2824 HydrophobicContact CD2-CH2 4.17Å; L2793-W2824 HydrophobicContact CD2-CZ2 4.44Å; L2793-W2824 HydrophobicContact CG-CH2 4.15Å; L2793-W2847 HydrophobicContact CD2-CE3 4.44Å; L2793-W2847 HydrophobicContact CD2-CH2 4.02Å; L2793-W2847 HydrophobicContact CD2-CZ3 3.72Å; L2793-L2877 HydrophobicContact CD1-CB 4.33Å; L2793-Y2879 HydrophobicContact CB-CD1 4.2Å; L2793-Y2879 HydrophobicContact CB-CE1 3.84Å; L2793-Y2879 HydrophobicContact CD1-CD1 4.38Å; L2793-Y2879 HydrophobicContact CD1-CD2 4.3Å; L2793-Y2879 HydrophobicContact CD1-CE1 3.99Å; L2793-Y2879 HydrophobicContact CD1-CE2 3.91Å |
| 2794 | R | 96.5 | Very high | 88.1 | Confident | 18.8 Ų | 18.8 | 47 Ų | 47 | 7% | 0.071 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -39.6 | -176.1 | 175.5 | -179.7 | 167.6 | 120.2 | 8.8 | 112.1 | T2476 N2792 R2813 F2878 E2880 | T2476-R2794 VanDerWaalsContact CB-NH2 3.28Å; T2476-R2794 PolarHBondContact O-NH2 3.2Å; T2476-R2794 PolarHBondContact OG1-NH2 3.1Å; N2792-R2794 PolarHBondContact O-N 3.21Å; N2792-R2794 VanDerWaalsContact O-N 3.13Å; R2794-R2813 WeakPolarHBondContact O-CB 3.39Å; R2794-R2813 PolarHBondContact O-N 3.12Å; R2794-F2878 WeakPolarHBondContact CA-O 3.38Å; R2794-F2878 WeakPolarHBondContact CB-O 3.15Å; R2794-F2878 PolarHBondContact N-O 3.11Å; R2794-E2880 HydrophobicContact CB-CB 3.92Å; R2794-E2880 VanDerWaalsContact CD-OE2 3.31Å; R2794-E2880 WeakPolarHBondContact CD-OE2 3.28Å; R2794-E2880 HydrophobicContact CG-CB 4.47Å; R2794-E2880 IonicContact CZ-OE2 3.11Å; R2794-E2880 IonicContact NE-OE2 3.36Å; R2794-E2880 IonicContact NH1-OE2 3.17Å; R2794-E2880 PolarHBondContact NH1-OE2 3.4Å |
| 2795 | G | 97.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 150.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | F2811 F2878 | G2795-F2811 CarbonylContact C-O 3.52Å; G2795-F2811 VanDerWaalsContact CA-O 3.25Å; G2795-F2811 WeakPolarHBondContact CA-O 3.36Å; G2795-F2878 PolarHBondContact N-O 3.17Å; G2795-F2878 PolarHBondContact O-N 3.03Å |
| 2796 | V | 98.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 116.8 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | F2742 L2793 V2798 S2810 F2811 W2847 A2874 L2876 L2877 | F2742-V2796 HydrophobicContact CE2-CG2 4.09Å; F2742-V2796 HydrophobicContact CZ-CG1 4.28Å; F2742-V2796 HydrophobicContact CZ-CG2 4.33Å; L2793-V2796 HydrophobicContact CD1-CG2 4.06Å; L2793-V2796 HydrophobicContact CD2-CG2 3.93Å; L2793-V2796 HydrophobicContact CG-CG2 4.26Å; V2796-V2798 HydrophobicContact CG1-CG2 3.91Å; V2796-S2810 CarbonylContact O-C 3.57Å; V2796-S2810 WeakPolarHBondContact O-CA 3.36Å; V2796-F2811 HydrophobicContact CB-CB 4.45Å; V2796-F2811 PolarHBondContact N-O 3.24Å; V2796-F2811 PolarHBondContact O-N 3.1Å; V2796-W2847 HydrophobicContact CB-CZ2 4.47Å; V2796-W2847 HydrophobicContact CG1-CD2 4.43Å; V2796-W2847 HydrophobicContact CG1-CG 4.17Å; V2796-W2847 HydrophobicContact CG2-CD2 4.13Å; V2796-W2847 HydrophobicContact CG2-CE3 4.4Å; V2796-W2847 HydrophobicContact CG2-CH2 4.28Å; V2796-W2847 HydrophobicContact CG2-CZ2 3.95Å; V2796-W2847 HydrophobicContact CG2-CZ3 4.35Å; V2796-A2874 HydrophobicContact CG1-CB 3.54Å; V2796-A2874 VanDerWaalsContact CG1-CB 3.5Å; V2796-L2876 WeakPolarHBondContact CA-O 3.47Å; V2796-L2877 HydrophobicContact CG1-CD2 4.03Å; V2796-L2877 HydrophobicContact CG2-CD2 4.28Å |
| 2797 | V | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 126.3 | 166.1 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | I2470 Q2473 Y2808 Y2875 L2876 F2878 | I2470-V2797 HydrophobicContact CD1-CG2 4.29Å; Q2473-V2797 HydrophobicContact CG-CG2 3.88Å; V2797-Y2808 HydrophobicContact CG1-CD1 4.23Å; V2797-Y2875 PolarHBondContact O-N 3.13Å; V2797-L2876 HydrophobicContact CB-CB 3.98Å; V2797-L2876 HydrophobicContact CB-CG 4.47Å; V2797-L2876 HydrophobicContact CG2-CB 4.09Å; V2797-L2876 HydrophobicContact CG2-CD1 4.42Å; V2797-L2876 PolarHBondContact N-O 2.95Å; V2797-L2876 PolarHBondContact O-N 3.02Å; V2797-F2878 HydrophobicContact CG2-CD2 4.46Å; V2797-F2878 HydrophobicContact CG2-CE2 3.81Å |
| 2798 | V | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.9 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 109.2 | V2796 Y2808 Y2809 F2811 W2872 S2873 | V2796-V2798 HydrophobicContact CG1-CG2 3.91Å; V2798-Y2808 WeakPolarHBondContact O-CA 3.3Å; V2798-Y2809 HydrophobicContact CB-CD2 4.08Å; V2798-Y2809 HydrophobicContact CB-CE1 4.44Å; V2798-Y2809 HydrophobicContact CB-CE2 3.67Å; V2798-Y2809 HydrophobicContact CG1-CD2 4.38Å; V2798-Y2809 HydrophobicContact CG1-CE1 4.15Å; V2798-Y2809 HydrophobicContact CG1-CE2 3.77Å; V2798-Y2809 VanDerWaalsContact CG1-CZ 3.47Å; V2798-Y2809 WeakPolarHBondContact CG1-OH 3.24Å; V2798-Y2809 HydrophobicContact CG2-CE2 4.22Å; V2798-Y2809 PolarHBondContact N-O 3.22Å; V2798-Y2809 PolarHBondContact O-N 2.87Å; V2798-Y2809 VanDerWaalsContact O-N 3.13Å; V2798-F2811 HydrophobicContact CG2-CD2 3.9Å; V2798-F2811 HydrophobicContact CG2-CE2 3.82Å; V2798-W2872 HydrophobicContact CG1-CB 4.21Å; V2798-S2873 WeakPolarHBondContact CA-O 3.45Å; V2798-S2873 WeakPolarHBondContact CG1-O 3.29Å |
| 2799 | H | 97.9 | Very high | 95.3 | Very high | 1.8 Ų | 1.8 | 28.3 Ų | 28.3 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.3 | 166.7 | -172.9 | -117.8 | 0 | 0 | 0 | 110.9 | F2724 K2735 Q2802 G2806 H2807 Y2808 W2872 S2873 | F2724-H2799 AromaticContact CE1-ND1 3.61Å; F2724-H2799 HydrophobicContact CZ-CB 4.01Å; F2724-H2799 AromaticContact CZ-CG 3.74Å; F2724-H2799 AromaticContact CZ-ND1 3.33Å; F2724-H2799 VanDerWaalsContact CZ-ND1 3.32Å; F2724-H2799 WeakPolarHBondContact CZ-ND1 3.36Å; K2735-H2799 PolarHBondContact NZ-ND1 3.36Å; K2735-H2799 VanDerWaalsContact NZ-ND1 3.2Å; K2735-H2799 PolarHBondContact NZ-O 3.19Å; H2799-Q2802 PolarHBondContact CE1-O 3.1Å; H2799-G2806 WeakPolarHBondContact NE2-CA 3.36Å; H2799-H2807 PolarHBondContact CD2-O 3.23Å; H2799-H2807 VanDerWaalsContact CD2-O 3.26Å; H2799-H2807 PolarHBondContact NE2-N 3.05Å; H2799-Y2808 HydrophobicContact CB-CD1 3.89Å; H2799-Y2808 HydrophobicContact CB-CE1 3.68Å; H2799-Y2808 AromaticContact CD2-CD1 3.66Å; H2799-Y2808 AromaticContact CD2-CD2 3.76Å; H2799-Y2808 AromaticContact CD2-CE1 3.52Å; H2799-Y2808 VanDerWaalsContact CD2-CE1 3.48Å; H2799-Y2808 WeakPolarHBondContact CD2-CE1 3.42Å; H2799-Y2808 AromaticContact CD2-CE2 3.64Å; H2799-Y2808 AromaticContact CD2-CG 3.78Å; H2799-Y2808 AromaticContact CD2-CZ 3.52Å; H2799-Y2808 VanDerWaalsContact CD2-CZ 3.48Å; H2799-Y2808 AromaticContact CG-CE1 3.74Å; H2799-Y2808 AromaticContact CG-CZ 3.95Å; H2799-Y2808 AromaticContact NE2-CE2 3.93Å; H2799-W2872 WeakPolarHBondContact O-CA 3.31Å; H2799-S2873 PolarHBondContact N-O 3.1Å; H2799-S2873 PolarHBondContact O-N 3.1Å; H2799-S2873 VanDerWaalsContact O-N 3.12Å |
| 2800 | S | 96.3 | Very high | 95.4 | Very high | 16.6 Ų | 16.6 | 27.8 Ų | 27.8 | 12% | 0.116 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 105.7 | -180 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | G2806 H2807 W2871 | S2800-G2806 CarbonylContact O-C 3.53Å; S2800-G2806 VanDerWaalsContact O-CA 3.27Å; S2800-G2806 WeakPolarHBondContact O-CA 3.3Å; S2800-H2807 WeakPolarHBondContact CB-O 3.19Å; S2800-H2807 PolarHBondContact N-O 3.11Å; S2800-H2807 PolarHBondContact O-N 3.13Å; S2800-W2871 WeakPolarHBondContact CA-O 3.42Å; S2800-W2871 WeakPolarHBondContact OG-CZ3 3.37Å |
| 2801 | G | 93.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 23.1 Ų | 23.1 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.7 | -162.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K2735 W2871 | K2735-G2801 VanDerWaalsContact CD-O 3.26Å; K2735-G2801 WeakPolarHBondContact CD-O 3.34Å; K2735-G2801 PolarHBondContact NZ-O 3.23Å; K2735-G2801 VanDerWaalsContact NZ-O 3.14Å; G2801-W2871 PolarHBondContact N-O 3.08Å; G2801-W2871 VanDerWaalsContact N-O 3.1Å |
| 2802 | Q | 91.1 | Very high | 95.4 | Very high | 123.8 Ų | 123.8 | 23.6 Ų | 23.6 | 58% | 0.579 | 14% | 0.143 | S | C | * | . | trans | -77.1 | -157.8 | 174.4 | -63.1 | 178.2 | -19.5 | 0 | 0 | 110 | K2735 H2799 S2805 | K2735-Q2802 WeakPolarHBondContact CD-O 3.39Å; H2799-Q2802 PolarHBondContact CE1-O 3.1Å; Q2802-S2805 CarbonylContact C-O 3.4Å; Q2802-S2805 VanDerWaalsContact C-O 3.27Å; Q2802-S2805 WeakPolarHBondContact CA-O 3.37Å; Q2802-S2805 WeakPolarHBondContact CB-O 3.26Å; Q2802-S2805 PolarHBondContact N-O 3.04Å; Q2802-S2805 PolarHBondContact OE1-OG 3.1Å | ||
| 2803 | A | 90.5 | Very high | 95.3 | Very high | 23.2 Ų | 23.2 | 24.3 Ų | 24.3 | 19% | 0.192 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -97.4 | -46.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2724 S2733 L2734 K2735 S2805 | F2724-A2803 HydrophobicContact CD1-CB 4.11Å; S2733-A2803 VanDerWaalsContact C-CB 3.45Å; S2733-A2803 VanDerWaalsContact CB-CB 3.45Å; S2733-A2803 VanDerWaalsContact O-CB 3.27Å; S2733-A2803 WeakPolarHBondContact O-CB 3.27Å; L2734-A2803 WeakPolarHBondContact O-CB 3.13Å; K2735-A2803 HydrophobicContact CB-CB 4.19Å; A2803-S2805 VanDerWaalsContact C-N 3.28Å; A2803-S2805 PolarHBondContact O-N 3.02Å |
| 2804 | S | 85.1 | Confident | 95 | Very high | 86.8 Ų | 86.8 | 26 Ų | 26 | 61% | 0.607 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -75.9 | -10 | 175.8 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 2805 | S | 87.1 | Confident | 94.6 | Very high | 50.6 Ų | 50.6 | 29.9 Ų | 29.9 | 35% | 0.354 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -153.3 | 160.2 | 179.4 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | Q2802 A2803 | Q2802-S2805 CarbonylContact C-O 3.4Å; Q2802-S2805 VanDerWaalsContact C-O 3.27Å; Q2802-S2805 WeakPolarHBondContact CA-O 3.37Å; Q2802-S2805 WeakPolarHBondContact CB-O 3.26Å; Q2802-S2805 PolarHBondContact N-O 3.04Å; Q2802-S2805 PolarHBondContact OE1-OG 3.1Å; A2803-S2805 VanDerWaalsContact C-N 3.28Å; A2803-S2805 PolarHBondContact O-N 3.02Å |
| 2806 | G | 91.5 | Very high | 93.8 | Very high | 30.2 Ų | 30.2 | 32.6 Ų | 32.6 | 31% | 0.311 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.8 | -159.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q2607 H2799 S2800 | Q2607-G2806 PolarHBondContact NE2-O 3Å; H2799-G2806 WeakPolarHBondContact NE2-CA 3.36Å; S2800-G2806 CarbonylContact O-C 3.53Å; S2800-G2806 VanDerWaalsContact O-CA 3.27Å; S2800-G2806 WeakPolarHBondContact O-CA 3.3Å |
| 2807 | H | 97 | Very high | 92.8 | Very high | 51.8 Ų | 51.8 | 36.9 Ų | 36.9 | 24% | 0.24 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 130.4 | -176 | -173.7 | 37 | 0 | 0 | 0 | 111 | C2465 H2799 S2800 Y2809 D2828 D2829 | C2465-H2807 VanDerWaalsContact CB-CE1 3.5Å; C2465-H2807 WeakPolarHBondContact CB-CE1 3.34Å; C2465-H2807 VanDerWaalsContact CB-ND1 3.27Å; C2465-H2807 WeakPolarHBondContact CB-ND1 3.34Å; C2465-H2807 PolarHBondContact SG-ND1 3.23Å; C2465-H2807 VanDerWaalsContact SG-ND1 3.4Å; H2799-H2807 PolarHBondContact CD2-O 3.23Å; H2799-H2807 VanDerWaalsContact CD2-O 3.26Å; H2799-H2807 PolarHBondContact NE2-N 3.05Å; S2800-H2807 WeakPolarHBondContact CB-O 3.19Å; S2800-H2807 PolarHBondContact N-O 3.11Å; S2800-H2807 PolarHBondContact O-N 3.13Å; H2807-Y2809 AromaticContact CD2-CD1 3.82Å; H2807-Y2809 AromaticContact NE2-CD1 3.95Å; H2807-D2828 IonicContact CD2-OD1 2.95Å; H2807-D2828 IonicContact CE1-OD1 3.31Å; H2807-D2828 IonicContact NE2-OD1 3.43Å; H2807-D2828 PolarHBondContact NE2-OD1 3.31Å; H2807-D2829 IonicContact CE1-OD1 3.01Å; H2807-D2829 PolarHBondContact CE1-OD1 3.42Å; H2807-D2829 IonicContact CE1-OD2 3.11Å; H2807-D2829 PolarHBondContact CE1-OD2 3.08Å; H2807-D2829 VanDerWaalsContact CE1-OD2 3.23Å; H2807-D2829 IonicContact NE2-OD2 3.37Å |
| 2808 | Y | 98 | Very high | 91.7 | Very high | 15.6 Ų | 15.6 | 48.4 Ų | 48.4 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.6 | 176 | -67.9 | -85.6 | 0 | 0 | 0 | 110.6 | C2465 A2610 V2797 V2798 H2799 Y2875 | C2465-Y2808 WeakPolarHBondContact CB-O 3.43Å; C2465-Y2808 PolarHBondContact SG-N 3.22Å; C2465-Y2808 VanDerWaalsContact SG-N 3.39Å; A2610-Y2808 HydrophobicContact CB-CD1 3.87Å; A2610-Y2808 HydrophobicContact CB-CE1 3.74Å; A2610-Y2808 HydrophobicContact CB-CE2 4.47Å; A2610-Y2808 HydrophobicContact CB-CG 4.3Å; V2797-Y2808 HydrophobicContact CG1-CD1 4.23Å; V2798-Y2808 WeakPolarHBondContact O-CA 3.3Å; H2799-Y2808 HydrophobicContact CB-CD1 3.89Å; H2799-Y2808 HydrophobicContact CB-CE1 3.68Å; H2799-Y2808 AromaticContact CD2-CD1 3.66Å; H2799-Y2808 AromaticContact CD2-CD2 3.76Å; H2799-Y2808 AromaticContact CD2-CE1 3.52Å; H2799-Y2808 VanDerWaalsContact CD2-CE1 3.48Å; H2799-Y2808 WeakPolarHBondContact CD2-CE1 3.42Å; H2799-Y2808 AromaticContact CD2-CE2 3.64Å; H2799-Y2808 AromaticContact CD2-CG 3.78Å; H2799-Y2808 AromaticContact CD2-CZ 3.52Å; H2799-Y2808 VanDerWaalsContact CD2-CZ 3.48Å; H2799-Y2808 AromaticContact CG-CE1 3.74Å; H2799-Y2808 AromaticContact CG-CZ 3.95Å; H2799-Y2808 AromaticContact NE2-CE2 3.93Å; Y2808-Y2875 HydrophobicContact CD1-CD1 4.47Å; Y2808-Y2875 AromaticContact CE1-CD1 3.75Å; Y2808-Y2875 HydrophobicContact CE1-CD1 3.75Å; Y2808-Y2875 HydrophobicContact CE1-CE1 4.17Å |
| 2809 | Y | 98.1 | Very high | 91 | Very high | 13.8 Ų | 13.8 | 52.2 Ų | 52.2 | 5% | 0.054 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 159.3 | 173.3 | 54.8 | -93 | 0 | 0 | 0 | 110.7 | V2798 H2807 F2811 K2826 Y2827 | V2798-Y2809 HydrophobicContact CB-CD2 4.08Å; V2798-Y2809 HydrophobicContact CB-CE1 4.44Å; V2798-Y2809 HydrophobicContact CB-CE2 3.67Å; V2798-Y2809 HydrophobicContact CG1-CD2 4.38Å; V2798-Y2809 HydrophobicContact CG1-CE1 4.15Å; V2798-Y2809 HydrophobicContact CG1-CE2 3.77Å; V2798-Y2809 VanDerWaalsContact CG1-CZ 3.47Å; V2798-Y2809 WeakPolarHBondContact CG1-OH 3.24Å; V2798-Y2809 HydrophobicContact CG2-CE2 4.22Å; V2798-Y2809 PolarHBondContact N-O 3.22Å; V2798-Y2809 PolarHBondContact O-N 2.87Å; V2798-Y2809 VanDerWaalsContact O-N 3.13Å; H2807-Y2809 AromaticContact CD2-CD1 3.82Å; H2807-Y2809 AromaticContact NE2-CD1 3.95Å; Y2809-F2811 HydrophobicContact CD2-CE2 4.12Å; Y2809-F2811 HydrophobicContact CD2-CZ 4.35Å; Y2809-F2811 HydrophobicContact CE2-CD2 4.44Å; Y2809-F2811 AromaticContact CE2-CE2 3.62Å; Y2809-F2811 HydrophobicContact CE2-CE2 3.62Å; Y2809-F2811 AromaticContact CE2-CZ 3.84Å; Y2809-F2811 HydrophobicContact CE2-CZ 3.84Å; Y2809-K2826 HydrophobicContact CD2-CD 4.39Å; Y2809-K2826 HydrophobicContact CD2-CG 4.29Å; Y2809-K2826 VanDerWaalsContact CE2-CE 3.45Å; Y2809-Y2827 WeakPolarHBondContact CB-O 3.39Å |
| 2810 | S | 98.4 | Very high | 90.4 | Very high | 6.8 Ų | 6.8 | 59.8 Ų | 59.8 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 134 | -172.6 | -78.4 | 0 | 0 | 0 | 0 | 112 | S2469 Q2473 V2796 Y2827 | S2469-S2810 PolarHBondContact O-OG 2.96Å; Q2473-S2810 WeakPolarHBondContact CG-OG 3.31Å; Q2473-S2810 PolarHBondContact NE2-OG 3.21Å; V2796-S2810 CarbonylContact O-C 3.57Å; V2796-S2810 WeakPolarHBondContact O-CA 3.36Å; S2810-Y2827 PolarHBondContact N-O 3.36Å; S2810-Y2827 WeakPolarHBondContact O-CB 3.31Å; S2810-Y2827 PolarHBondContact O-N 3.18Å |
| 2811 | F | 98.1 | Very high | 90 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.1 | 160.4 | -63.7 | -75.1 | 0 | 0 | 0 | 109 | Q2473 G2795 V2796 V2798 Y2809 W2824 Y2825 K2826 V2835 L2837 Q2846 W2847 | Q2473-F2811 PolarHBondContact NE2-O 3.25Å; G2795-F2811 CarbonylContact C-O 3.52Å; G2795-F2811 VanDerWaalsContact CA-O 3.25Å; G2795-F2811 WeakPolarHBondContact CA-O 3.36Å; V2796-F2811 HydrophobicContact CB-CB 4.45Å; V2796-F2811 PolarHBondContact N-O 3.24Å; V2796-F2811 PolarHBondContact O-N 3.1Å; V2798-F2811 HydrophobicContact CG2-CD2 3.9Å; V2798-F2811 HydrophobicContact CG2-CE2 3.82Å; Y2809-F2811 HydrophobicContact CD2-CE2 4.12Å; Y2809-F2811 HydrophobicContact CD2-CZ 4.35Å; Y2809-F2811 HydrophobicContact CE2-CD2 4.44Å; Y2809-F2811 AromaticContact CE2-CE2 3.62Å; Y2809-F2811 HydrophobicContact CE2-CE2 3.62Å; Y2809-F2811 AromaticContact CE2-CZ 3.84Å; Y2809-F2811 HydrophobicContact CE2-CZ 3.84Å; F2811-W2824 HydrophobicContact CB-CE3 4.17Å; F2811-W2824 HydrophobicContact CB-CZ3 4.33Å; F2811-Y2825 VanDerWaalsContact CA-O 3.32Å; F2811-Y2825 WeakPolarHBondContact CA-O 3.34Å; F2811-K2826 HydrophobicContact CD1-CB 3.8Å; F2811-K2826 HydrophobicContact CD1-CG 3.93Å; F2811-K2826 HydrophobicContact CE1-CB 3.6Å; F2811-K2826 HydrophobicContact CE1-CD 4.01Å; F2811-K2826 HydrophobicContact CE1-CG 3.5Å; F2811-K2826 VanDerWaalsContact CE1-CG 3.49Å; F2811-K2826 HydrophobicContact CZ-CD 4.32Å; F2811-K2826 HydrophobicContact CZ-CG 4.12Å; F2811-V2835 HydrophobicContact CD1-CG2 4.03Å; F2811-V2835 HydrophobicContact CE1-CG1 4.49Å; F2811-V2835 HydrophobicContact CE1-CG2 4.2Å; F2811-L2837 HydrophobicContact CB-CD1 4.2Å; F2811-L2837 HydrophobicContact CD1-CD1 3.31Å; F2811-L2837 HydrophobicContact CD2-CD1 4.28Å; F2811-L2837 HydrophobicContact CE1-CD1 3.55Å; F2811-L2837 HydrophobicContact CE2-CD1 4.42Å; F2811-L2837 HydrophobicContact CG-CD1 3.69Å; F2811-L2837 HydrophobicContact CZ-CD1 4.1Å; F2811-Q2846 HydrophobicContact CE2-CB 4.2Å; F2811-Q2846 HydrophobicContact CZ-CB 4.22Å; F2811-Q2846 HydrophobicContact CZ-CG 4.28Å; F2811-W2847 HydrophobicContact CB-CZ2 4.35Å; F2811-W2847 AromaticContact CD2-CD1 3.84Å; F2811-W2847 AromaticContact CD2-NE1 3.1Å; F2811-W2847 AromaticContact CE2-CD1 3.85Å; F2811-W2847 AromaticContact CE2-NE1 3.43Å; F2811-W2847 AromaticContact CG-NE1 3.77Å |
| 2812 | I | 97.1 | Very high | 89.8 | Confident | 12.6 Ų | 12.6 | 65.3 Ų | 65.3 | 7% | 0.065 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133 | -179.8 | -43.3 | -179.8 | 0 | 0 | 0 | 110 | Q2472 T2476 H2814 W2824 Y2825 Y2827 | Q2472-I2812 HydrophobicContact CB-CD1 4.29Å; Q2472-I2812 WeakPolarHBondContact O-CD1 3.32Å; T2476-I2812 HydrophobicContact CG2-CD1 3.72Å; T2476-I2812 HydrophobicContact CG2-CG2 3.98Å; I2812-H2814 PolarHBondContact O-N 2.98Å; I2812-W2824 WeakPolarHBondContact O-CA 3.23Å; I2812-Y2825 PolarHBondContact N-O 3.13Å; I2812-Y2825 PolarHBondContact O-N 3.13Å; I2812-Y2827 HydrophobicContact CB-CD2 4.14Å; I2812-Y2827 HydrophobicContact CB-CE2 3.85Å; I2812-Y2827 HydrophobicContact CD1-CD2 3.75Å; I2812-Y2827 HydrophobicContact CD1-CE2 3.8Å; I2812-Y2827 HydrophobicContact CD1-CG 4.24Å; I2812-Y2827 HydrophobicContact CG1-CD2 3.76Å; I2812-Y2827 HydrophobicContact CG1-CE2 3.91Å |
| 2813 | R | 95.1 | Very high | 89.8 | Confident | 40.6 Ų | 40.6 | 63.1 Ų | 63.1 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 116.1 | 177.2 | -167.4 | 177.5 | 81.9 | 141.5 | 4.2 | 109.4 | L2793 R2794 F2822 K2823 W2824 E2880 | L2793-R2813 PolarHBondContact O-NE 3.18Å; L2793-R2813 PolarHBondContact O-NH2 3.13Å; R2794-R2813 WeakPolarHBondContact O-CB 3.39Å; R2794-R2813 PolarHBondContact O-N 3.12Å; R2813-F2822 HydrophobicContact CG-CB 3.9Å; R2813-F2822 HydrophobicContact CG-CD1 4.02Å; R2813-F2822 HydrophobicContact CG-CG 4.25Å; R2813-F2822 VanDerWaalsContact NH1-CD1 3.32Å; R2813-F2822 VanDerWaalsContact NH1-CG 3.3Å; R2813-K2823 CarbonylContact C-O 3.36Å; R2813-K2823 WeakPolarHBondContact CA-O 3.27Å; R2813-W2824 HydrophobicContact CB-CD2 3.92Å; R2813-W2824 HydrophobicContact CB-CE3 3.87Å; R2813-W2824 HydrophobicContact CB-CH2 3.84Å; R2813-W2824 HydrophobicContact CB-CZ2 3.87Å; R2813-W2824 HydrophobicContact CB-CZ3 3.84Å; R2813-W2824 HydrophobicContact CG-CD2 4.22Å; R2813-W2824 HydrophobicContact CG-CH2 4.49Å; R2813-W2824 HydrophobicContact CG-CZ2 4.1Å; R2813-E2880 IonicContact NH2-OE1 3.44Å |
| 2814 | H | 90.7 | Very high | 90 | Very high | 38.8 Ų | 38.8 | 62.2 Ų | 62.2 | 18% | 0.18 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.7 | 179.1 | -83.3 | -91.9 | 0 | 0 | 0 | 111.8 | F2455 I2812 F2822 K2823 Y2825 Y2827 | F2455-H2814 AromaticContact CE1-CE1 3.82Å; F2455-H2814 AromaticContact CE1-ND1 3.96Å; F2455-H2814 AromaticContact CE2-CD2 3.93Å; F2455-H2814 AromaticContact CE2-NE2 3.97Å; F2455-H2814 HydrophobicContact CZ-CB 4.36Å; F2455-H2814 AromaticContact CZ-CD2 3.95Å; F2455-H2814 AromaticContact CZ-CE1 3.59Å; F2455-H2814 AromaticContact CZ-CG 3.69Å; F2455-H2814 AromaticContact CZ-ND1 3.47Å; F2455-H2814 WeakPolarHBondContact CZ-ND1 3.43Å; F2455-H2814 AromaticContact CZ-NE2 3.89Å; I2812-H2814 PolarHBondContact O-N 2.98Å; H2814-F2822 CarbonylContact O-C 3.46Å; H2814-F2822 VanDerWaalsContact O-CA 3.3Å; H2814-F2822 WeakPolarHBondContact O-CA 3.38Å; H2814-K2823 PolarHBondContact N-O 3.08Å; H2814-K2823 PolarHBondContact O-N 3Å; H2814-Y2825 HydrophobicContact CB-CD2 4.33Å; H2814-Y2825 HydrophobicContact CB-CE2 4.26Å; H2814-Y2825 AromaticContact CD2-CD2 3.74Å; H2814-Y2827 PolarHBondContact CE1-OH 3.31Å; H2814-Y2827 VanDerWaalsContact CE1-OH 3.24Å; H2814-Y2827 AromaticContact NE2-CE2 3.57Å; H2814-Y2827 AromaticContact NE2-CZ 3.6Å; H2814-Y2827 PolarHBondContact NE2-OH 3.17Å; H2814-Y2827 VanDerWaalsContact NE2-OH 3.09Å |
| 2815 | Y | 87.2 | Confident | 90.5 | Very high | 100.2 Ų | 100.2 | 58.8 Ų | 58.8 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.7 | 167.1 | -173.4 | -114.4 | 0 | 0 | 0 | 110.4 | P2817 K2820 F2822 | Y2815-P2817 HydrophobicContact CD1-CG 4.15Å; Y2815-P2817 HydrophobicContact CE1-CB 4.42Å; Y2815-P2817 HydrophobicContact CE1-CG 4.29Å; Y2815-P2817 VanDerWaalsContact O-CD 3.31Å; Y2815-P2817 WeakPolarHBondContact O-CD 3.34Å; Y2815-K2820 WeakPolarHBondContact OH-CA 3.38Å; Y2815-F2822 HydrophobicContact CD2-CD1 4.22Å; Y2815-F2822 HydrophobicContact CD2-CD2 4.13Å; Y2815-F2822 AromaticContact CD2-CE1 3.85Å; Y2815-F2822 HydrophobicContact CD2-CE1 3.91Å; Y2815-F2822 AromaticContact CD2-CE2 3.75Å; Y2815-F2822 HydrophobicContact CD2-CE2 3.8Å; Y2815-F2822 HydrophobicContact CD2-CG 4.34Å; Y2815-F2822 AromaticContact CD2-CZ 3.69Å; Y2815-F2822 HydrophobicContact CD2-CZ 3.69Å; Y2815-F2822 VanDerWaalsContact CD2-CZ 3.49Å; Y2815-F2822 HydrophobicContact CE2-CE2 4.24Å; Y2815-F2822 HydrophobicContact CE2-CZ 4.4Å; Y2815-F2822 HydrophobicContact CG-CD1 4.46Å; Y2815-F2822 HydrophobicContact CG-CE1 4.23Å; Y2815-F2822 HydrophobicContact CG-CZ 4.32Å |
| 2816 | R | 82.1 | Confident | 90.9 | Very high | 56 Ų | 56 | 58.1 Ų | 58.1 | 21% | 0.211 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 103 | 173.9 | -71.3 | -175.6 | 171.6 | -155.6 | 0.8 | 109.6 | R2818 T2819 K2820 T2821 Y2825 | R2816-R2818 VanDerWaalsContact C-N 3.29Å; R2816-R2818 PolarHBondContact O-N 3.13Å; R2816-R2818 VanDerWaalsContact O-N 3.11Å; R2816-T2819 VanDerWaalsContact CB-OG1 3.28Å; R2816-T2819 WeakPolarHBondContact CB-OG1 3.27Å; R2816-T2819 PolarHBondContact O-N 3.07Å; R2816-T2819 VanDerWaalsContact O-N 3.13Å; R2816-T2819 PolarHBondContact O-OG1 3.16Å; R2816-K2820 WeakPolarHBondContact O-CA 3.41Å; R2816-K2820 PolarHBondContact O-N 3.16Å; R2816-T2821 WeakPolarHBondContact CB-O 3.41Å; R2816-T2821 PolarHBondContact N-O 3.2Å; R2816-Y2825 VanDerWaalsContact CZ-OH 3.22Å; R2816-Y2825 PolarHBondContact NE-OH 3.45Å; R2816-Y2825 VanDerWaalsContact NE-OH 3.09Å; R2816-Y2825 PolarHBondContact NH2-OH 3.24Å |
| 2817 | P | 76.5 | Confident | 91.2 | Very high | 91.6 Ų | 91.6 | 57.6 Ų | 57.6 | 60% | 0.595 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -36 | -176.4 | -27.8 | 35.4 | 0 | 0 | 0 | 114.5 | Y2815 T2819 K2820 | Y2815-P2817 HydrophobicContact CD1-CG 4.15Å; Y2815-P2817 HydrophobicContact CE1-CB 4.42Å; Y2815-P2817 HydrophobicContact CE1-CG 4.29Å; Y2815-P2817 VanDerWaalsContact O-CD 3.31Å; Y2815-P2817 WeakPolarHBondContact O-CD 3.34Å; P2817-T2819 VanDerWaalsContact C-N 3.3Å; P2817-T2819 PolarHBondContact O-N 3.17Å; P2817-K2820 PolarHBondContact O-N 3.46Å |
| 2818 | R | 76.2 | Confident | 91.2 | Very high | 241.2 Ų | 241.2 | 56.8 Ų | 56.8 | 91% | 0.91 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -37.8 | 179.6 | -77.7 | -175.9 | 174.1 | 152.8 | -1.9 | 113.6 | R2816 | R2816-R2818 VanDerWaalsContact C-N 3.29Å; R2816-R2818 PolarHBondContact O-N 3.13Å; R2816-R2818 VanDerWaalsContact O-N 3.11Å |
| 2819 | T | 83.8 | Confident | 91.1 | Very high | 78.2 Ų | 78.2 | 57.9 Ų | 57.9 | 48% | 0.48 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -9.8 | -178.9 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | R2816 P2817 T2821 | R2816-T2819 VanDerWaalsContact CB-OG1 3.28Å; R2816-T2819 WeakPolarHBondContact CB-OG1 3.27Å; R2816-T2819 PolarHBondContact O-N 3.07Å; R2816-T2819 VanDerWaalsContact O-N 3.13Å; R2816-T2819 PolarHBondContact O-OG1 3.16Å; P2817-T2819 VanDerWaalsContact C-N 3.3Å; P2817-T2819 PolarHBondContact O-N 3.17Å; T2819-T2821 WeakPolarHBondContact CB-OG1 3.26Å; T2819-T2821 WeakPolarHBondContact O-CG2 3.32Å; T2819-T2821 PolarHBondContact O-N 2.98Å; T2819-T2821 PolarHBondContact OG1-N 3.29Å; T2819-T2821 PolarHBondContact OG1-OG1 3.22Å |
| 2820 | K | 84.2 | Confident | 90.8 | Very high | 162.2 Ų | 162.2 | 61.6 Ų | 61.6 | 71% | 0.705 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 27.9 | -170.4 | -57.6 | -174.4 | 178.5 | -177.6 | 0 | 113.7 | Y2815 R2816 P2817 | Y2815-K2820 WeakPolarHBondContact OH-CA 3.38Å; R2816-K2820 WeakPolarHBondContact O-CA 3.41Å; R2816-K2820 PolarHBondContact O-N 3.16Å; P2817-K2820 PolarHBondContact O-N 3.46Å |
| 2821 | T | 88 | Confident | 90.4 | Very high | 64.2 Ų | 64.2 | 64 Ų | 64 | 39% | 0.394 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 152.9 | 179.5 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | R2816 T2819 | R2816-T2821 WeakPolarHBondContact CB-O 3.41Å; R2816-T2821 PolarHBondContact N-O 3.2Å; T2819-T2821 WeakPolarHBondContact CB-OG1 3.26Å; T2819-T2821 WeakPolarHBondContact O-CG2 3.32Å; T2819-T2821 PolarHBondContact O-N 2.98Å; T2819-T2821 PolarHBondContact OG1-N 3.29Å; T2819-T2821 PolarHBondContact OG1-OG1 3.22Å |
| 2822 | F | 89.5 | Confident | 90.2 | Very high | 80.6 Ų | 80.6 | 65.2 Ų | 65.2 | 35% | 0.354 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 152.2 | 165.5 | -68.6 | -87.7 | 0 | 0 | 0 | 110.3 | R2813 H2814 Y2815 | R2813-F2822 HydrophobicContact CG-CB 3.9Å; R2813-F2822 HydrophobicContact CG-CD1 4.02Å; R2813-F2822 HydrophobicContact CG-CG 4.25Å; R2813-F2822 VanDerWaalsContact NH1-CD1 3.32Å; R2813-F2822 VanDerWaalsContact NH1-CG 3.3Å; H2814-F2822 CarbonylContact O-C 3.46Å; H2814-F2822 VanDerWaalsContact O-CA 3.3Å; H2814-F2822 WeakPolarHBondContact O-CA 3.38Å; Y2815-F2822 HydrophobicContact CD2-CD1 4.22Å; Y2815-F2822 HydrophobicContact CD2-CD2 4.13Å; Y2815-F2822 AromaticContact CD2-CE1 3.85Å; Y2815-F2822 HydrophobicContact CD2-CE1 3.91Å; Y2815-F2822 AromaticContact CD2-CE2 3.75Å; Y2815-F2822 HydrophobicContact CD2-CE2 3.8Å; Y2815-F2822 HydrophobicContact CD2-CG 4.34Å; Y2815-F2822 AromaticContact CD2-CZ 3.69Å; Y2815-F2822 HydrophobicContact CD2-CZ 3.69Å; Y2815-F2822 VanDerWaalsContact CD2-CZ 3.49Å; Y2815-F2822 HydrophobicContact CE2-CE2 4.24Å; Y2815-F2822 HydrophobicContact CE2-CZ 4.4Å; Y2815-F2822 HydrophobicContact CG-CD1 4.46Å; Y2815-F2822 HydrophobicContact CG-CE1 4.23Å; Y2815-F2822 HydrophobicContact CG-CZ 4.32Å |
| 2823 | K | 91.9 | Very high | 90 | Very high | 78.2 Ų | 78.2 | 68.3 Ų | 68.3 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 144.9 | 167.1 | -82.8 | -163.2 | -176.4 | -172.1 | 0 | 110.8 | R2813 H2814 Y2825 P2834 | R2813-K2823 CarbonylContact C-O 3.36Å; R2813-K2823 WeakPolarHBondContact CA-O 3.27Å; H2814-K2823 PolarHBondContact N-O 3.08Å; H2814-K2823 PolarHBondContact O-N 3Å; K2823-Y2825 HydrophobicContact CB-CE2 4.19Å; K2823-Y2825 HydrophobicContact CD-CE2 4.33Å; K2823-Y2825 HydrophobicContact CG-CE2 4.27Å; K2823-P2834 HydrophobicContact CD-CB 4.33Å; K2823-P2834 VanDerWaalsContact CE-CB 3.49Å; K2823-P2834 VanDerWaalsContact NZ-CB 3.32Å |
| 2824 | W | 94.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 144.1 | 174.3 | -68.4 | 93 | 0 | 0 | 0 | 112.5 | L2793 F2811 I2812 R2813 V2835 L2837 D2838 W2847 | L2793-W2824 HydrophobicContact CD2-CH2 4.17Å; L2793-W2824 HydrophobicContact CD2-CZ2 4.44Å; L2793-W2824 HydrophobicContact CG-CH2 4.15Å; F2811-W2824 HydrophobicContact CB-CE3 4.17Å; F2811-W2824 HydrophobicContact CB-CZ3 4.33Å; I2812-W2824 WeakPolarHBondContact O-CA 3.23Å; R2813-W2824 HydrophobicContact CB-CD2 3.92Å; R2813-W2824 HydrophobicContact CB-CE3 3.87Å; R2813-W2824 HydrophobicContact CB-CH2 3.84Å; R2813-W2824 HydrophobicContact CB-CZ2 3.87Å; R2813-W2824 HydrophobicContact CB-CZ3 3.84Å; R2813-W2824 HydrophobicContact CG-CD2 4.22Å; R2813-W2824 HydrophobicContact CG-CH2 4.49Å; R2813-W2824 HydrophobicContact CG-CZ2 4.1Å; W2824-V2835 HydrophobicContact CB-CG2 3.74Å; W2824-V2835 PolarHBondContact O-N 3.23Å; W2824-L2837 HydrophobicContact CB-CB 4.18Å; W2824-L2837 HydrophobicContact CB-CD1 4.48Å; W2824-L2837 HydrophobicContact CD2-CB 4.37Å; W2824-L2837 HydrophobicContact CG-CB 3.95Å; W2824-D2838 VanDerWaalsContact CD1-OD1 3.26Å; W2824-D2838 PolarHBondContact NE1-OD1 3.29Å; W2824-W2847 HydrophobicContact CD2-CH2 4.39Å; W2824-W2847 HydrophobicContact CD2-CZ2 4.49Å; W2824-W2847 HydrophobicContact CE3-CH2 4.35Å; W2824-W2847 HydrophobicContact CE3-CZ2 4.3Å; W2824-W2847 AromaticContact CH2-CH2 3.89Å; W2824-W2847 HydrophobicContact CH2-CH2 3.89Å; W2824-W2847 HydrophobicContact CH2-CZ2 4.27Å; W2824-W2847 AromaticContact CZ2-CH2 3.92Å; W2824-W2847 HydrophobicContact CZ2-CH2 3.92Å; W2824-W2847 HydrophobicContact CZ2-CZ2 4.48Å; W2824-W2847 HydrophobicContact CZ3-CH2 4.2Å; W2824-W2847 AromaticContact CZ3-CZ2 4Å; W2824-W2847 HydrophobicContact CZ3-CZ2 4.11Å |
| 2825 | Y | 95.1 | Very high | 89.9 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 6% | 0.059 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.5 | 172.4 | -69.7 | -102.2 | 0 | 0 | 0 | 109.5 | F2455 F2811 I2812 H2814 R2816 K2823 Y2827 V2832 I2833 P2834 | F2455-Y2825 AromaticContact CD2-CD1 3.93Å; F2455-Y2825 HydrophobicContact CD2-CD1 3.93Å; F2455-Y2825 AromaticContact CD2-CE1 3.89Å; F2455-Y2825 HydrophobicContact CD2-CE1 3.89Å; F2455-Y2825 HydrophobicContact CD2-CG 4.3Å; F2455-Y2825 AromaticContact CE2-CD1 3.97Å; F2455-Y2825 HydrophobicContact CE2-CD1 4.04Å; F2455-Y2825 HydrophobicContact CE2-CD2 4.03Å; F2455-Y2825 AromaticContact CE2-CE1 3.81Å; F2455-Y2825 HydrophobicContact CE2-CE1 3.81Å; F2455-Y2825 AromaticContact CE2-CE2 3.82Å; F2455-Y2825 HydrophobicContact CE2-CE2 3.82Å; F2455-Y2825 HydrophobicContact CE2-CG 4.12Å; F2455-Y2825 AromaticContact CE2-CZ 3.67Å; F2811-Y2825 VanDerWaalsContact CA-O 3.32Å; F2811-Y2825 WeakPolarHBondContact CA-O 3.34Å; I2812-Y2825 PolarHBondContact N-O 3.13Å; I2812-Y2825 PolarHBondContact O-N 3.13Å; H2814-Y2825 HydrophobicContact CB-CD2 4.33Å; H2814-Y2825 HydrophobicContact CB-CE2 4.26Å; H2814-Y2825 AromaticContact CD2-CD2 3.74Å; R2816-Y2825 VanDerWaalsContact CZ-OH 3.22Å; R2816-Y2825 PolarHBondContact NE-OH 3.45Å; R2816-Y2825 VanDerWaalsContact NE-OH 3.09Å; R2816-Y2825 PolarHBondContact NH2-OH 3.24Å; K2823-Y2825 HydrophobicContact CB-CE2 4.19Å; K2823-Y2825 HydrophobicContact CD-CE2 4.33Å; K2823-Y2825 HydrophobicContact CG-CE2 4.27Å; Y2825-Y2827 VanDerWaalsContact CB-CE2 3.5Å; Y2825-Y2827 HydrophobicContact CG-CE2 4.49Å; Y2825-V2832 HydrophobicContact CD1-CG1 4.29Å; Y2825-I2833 CarbonylContact C-O 3.44Å; Y2825-I2833 VanDerWaalsContact CA-O 3.27Å; Y2825-I2833 WeakPolarHBondContact CA-O 3.41Å; Y2825-P2834 HydrophobicContact CD1-CB 4.2Å; Y2825-P2834 HydrophobicContact CE1-CB 4.09Å |
| 2826 | K | 96.8 | Very high | 90 | Very high | 35.6 Ų | 35.6 | 73.4 Ų | 73.4 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.3 | 167.1 | -168.5 | -170.4 | -171.8 | -161.7 | 0 | 108.3 | Y2809 F2811 D2828 V2832 I2833 V2835 | Y2809-K2826 HydrophobicContact CD2-CD 4.39Å; Y2809-K2826 HydrophobicContact CD2-CG 4.29Å; Y2809-K2826 VanDerWaalsContact CE2-CE 3.45Å; F2811-K2826 HydrophobicContact CD1-CB 3.8Å; F2811-K2826 HydrophobicContact CD1-CG 3.93Å; F2811-K2826 HydrophobicContact CE1-CB 3.6Å; F2811-K2826 HydrophobicContact CE1-CD 4.01Å; F2811-K2826 HydrophobicContact CE1-CG 3.5Å; F2811-K2826 VanDerWaalsContact CE1-CG 3.49Å; F2811-K2826 HydrophobicContact CZ-CD 4.32Å; F2811-K2826 HydrophobicContact CZ-CG 4.12Å; K2826-D2828 HydrophobicContact CD-CB 4.11Å; K2826-D2828 VanDerWaalsContact CE-OD2 3.29Å; K2826-D2828 WeakPolarHBondContact CE-OD2 3.38Å; K2826-D2828 HydrophobicContact CG-CB 4.23Å; K2826-D2828 IonicContact NZ-OD2 3.49Å; K2826-D2828 PolarHBondContact NZ-OD2 2.94Å; K2826-V2832 CarbonylContact O-C 3.42Å; K2826-V2832 VanDerWaalsContact O-CA 3.3Å; K2826-V2832 WeakPolarHBondContact O-CA 3.31Å; K2826-I2833 HydrophobicContact CB-CD1 4.49Å; K2826-I2833 HydrophobicContact CB-CG1 3.98Å; K2826-I2833 HydrophobicContact CD-CD1 4.28Å; K2826-I2833 HydrophobicContact CD-CG1 4.45Å; K2826-I2833 PolarHBondContact N-O 3.23Å; K2826-I2833 PolarHBondContact O-N 3.06Å; K2826-V2835 HydrophobicContact CB-CG1 3.93Å |
| 2827 | Y | 97.4 | Very high | 90.5 | Very high | 20 Ų | 20 | 70.9 Ų | 70.9 | 8% | 0.078 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 98.1 | 171.5 | -71.1 | -102.1 | 0 | 0 | 0 | 107.6 | F2455 Q2472 Y2809 S2810 I2812 H2814 Y2825 V2832 | F2455-Y2827 HydrophobicContact CB-CE1 4.13Å; F2455-Y2827 WeakPolarHBondContact CD1-OH 3.31Å; F2455-Y2827 WeakPolarHBondContact CD2-OH 3.23Å; F2455-Y2827 HydrophobicContact CG-CE1 4.49Å; F2455-Y2827 VanDerWaalsContact CG-OH 3.27Å; F2455-Y2827 WeakPolarHBondContact CG-OH 3.37Å; Q2472-Y2827 HydrophobicContact CB-CD1 4.13Å; Q2472-Y2827 HydrophobicContact CB-CG 4.4Å; Q2472-Y2827 VanDerWaalsContact CD-CD1 3.49Å; Q2472-Y2827 HydrophobicContact CG-CD1 3.94Å; Q2472-Y2827 HydrophobicContact CG-CG 4.48Å; Y2809-Y2827 WeakPolarHBondContact CB-O 3.39Å; S2810-Y2827 PolarHBondContact N-O 3.36Å; S2810-Y2827 WeakPolarHBondContact O-CB 3.31Å; S2810-Y2827 PolarHBondContact O-N 3.18Å; I2812-Y2827 HydrophobicContact CB-CD2 4.14Å; I2812-Y2827 HydrophobicContact CB-CE2 3.85Å; I2812-Y2827 HydrophobicContact CD1-CD2 3.75Å; I2812-Y2827 HydrophobicContact CD1-CE2 3.8Å; I2812-Y2827 HydrophobicContact CD1-CG 4.24Å; I2812-Y2827 HydrophobicContact CG1-CD2 3.76Å; I2812-Y2827 HydrophobicContact CG1-CE2 3.91Å; H2814-Y2827 PolarHBondContact CE1-OH 3.31Å; H2814-Y2827 VanDerWaalsContact CE1-OH 3.24Å; H2814-Y2827 AromaticContact NE2-CE2 3.57Å; H2814-Y2827 AromaticContact NE2-CZ 3.6Å; H2814-Y2827 PolarHBondContact NE2-OH 3.17Å; H2814-Y2827 VanDerWaalsContact NE2-OH 3.09Å; Y2825-Y2827 VanDerWaalsContact CB-CE2 3.5Å; Y2825-Y2827 HydrophobicContact CG-CE2 4.49Å; Y2827-V2832 HydrophobicContact CD1-CB 4.25Å; Y2827-V2832 HydrophobicContact CD1-CG1 3.77Å; Y2827-V2832 HydrophobicContact CD1-CG2 3.52Å; Y2827-V2832 VanDerWaalsContact CD1-CG2 3.48Å; Y2827-V2832 HydrophobicContact CD2-CG1 4.08Å; Y2827-V2832 HydrophobicContact CE1-CB 4.34Å; Y2827-V2832 HydrophobicContact CE1-CG1 3.61Å; Y2827-V2832 HydrophobicContact CE1-CG2 3.83Å; Y2827-V2832 HydrophobicContact CE2-CG1 4.03Å; Y2827-V2832 HydrophobicContact CG-CG1 4.06Å; Y2827-V2832 HydrophobicContact CG-CG2 4.25Å |
| 2828 | D | 96.6 | Very high | 91 | Very high | 36.2 Ų | 36.2 | 70.9 Ų | 70.9 | 19% | 0.194 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 85.3 | -174.5 | -165.4 | -5.8 | 0 | 0 | 0 | 108.4 | H2807 K2826 H2830 N2831 | H2807-D2828 IonicContact CD2-OD1 2.95Å; H2807-D2828 IonicContact CE1-OD1 3.31Å; H2807-D2828 IonicContact NE2-OD1 3.43Å; H2807-D2828 PolarHBondContact NE2-OD1 3.31Å; K2826-D2828 HydrophobicContact CD-CB 4.11Å; K2826-D2828 VanDerWaalsContact CE-OD2 3.29Å; K2826-D2828 WeakPolarHBondContact CE-OD2 3.38Å; K2826-D2828 HydrophobicContact CG-CB 4.23Å; K2826-D2828 IonicContact NZ-OD2 3.49Å; K2826-D2828 PolarHBondContact NZ-OD2 2.94Å; D2828-H2830 PolarHBondContact O-N 3.18Å; D2828-H2830 VanDerWaalsContact O-N 3.16Å; D2828-N2831 PolarHBondContact N-O 3.01Å; D2828-N2831 WeakPolarHBondContact O-CA 3.4Å; D2828-N2831 WeakPolarHBondContact O-CB 3.35Å; D2828-N2831 PolarHBondContact O-N 3.28Å |
| 2829 | D | 96.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 65 Ų | 65 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | -110.2 | -167.3 | -67.5 | -39.9 | 0 | 0 | 0 | 112.5 | G2457 L2458 N2460 N2468 H2807 N2831 | G2457-D2829 CarbonylContact C-O 3.47Å; G2457-D2829 VanDerWaalsContact CA-O 3.24Å; G2457-D2829 WeakPolarHBondContact CA-O 3.38Å; L2458-D2829 PolarHBondContact N-O 3.17Å; L2458-D2829 CarbonylContact O-C 3.45Å; L2458-D2829 VanDerWaalsContact O-CA 3.31Å; L2458-D2829 WeakPolarHBondContact O-CA 3.35Å; L2458-D2829 WeakPolarHBondContact O-CB 3.25Å; N2460-D2829 HydrophobicContact CB-CB 4.23Å; N2460-D2829 VanDerWaalsContact CB-OD2 3.29Å; N2460-D2829 WeakPolarHBondContact CB-OD2 3.4Å; N2460-D2829 PolarHBondContact ND2-OD2 3.03Å; N2468-D2829 PolarHBondContact ND2-OD1 3.12Å; H2807-D2829 IonicContact CE1-OD1 3.01Å; H2807-D2829 PolarHBondContact CE1-OD1 3.42Å; H2807-D2829 IonicContact CE1-OD2 3.11Å; H2807-D2829 PolarHBondContact CE1-OD2 3.08Å; H2807-D2829 VanDerWaalsContact CE1-OD2 3.23Å; H2807-D2829 IonicContact NE2-OD2 3.37Å; D2829-N2831 VanDerWaalsContact C-N 3.3Å; D2829-N2831 PolarHBondContact O-N 3.18Å |
| 2830 | H | 90.7 | Very high | 91.8 | Very high | 91.6 Ų | 91.6 | 66.5 Ų | 66.5 | 42% | 0.424 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3 | -176 | 68.6 | -88.4 | 0 | 0 | 0 | 112.9 | L2458 K2584 Y2585 D2828 | L2458-H2830 WeakPolarHBondContact O-CA 3.25Å; L2458-H2830 PolarHBondContact O-N 3.17Å; K2584-H2830 VanDerWaalsContact CE-O 3.3Å; K2584-H2830 WeakPolarHBondContact CE-O 3.34Å; Y2585-H2830 HydrophobicContact CD1-CB 3.73Å; Y2585-H2830 HydrophobicContact CD2-CB 4.12Å; Y2585-H2830 HydrophobicContact CE1-CB 4.32Å; Y2585-H2830 HydrophobicContact CG-CB 3.56Å; Y2585-H2830 VanDerWaalsContact CG-CB 3.49Å; D2828-H2830 PolarHBondContact O-N 3.18Å; D2828-H2830 VanDerWaalsContact O-N 3.16Å |
| 2831 | N | 91.2 | Very high | 91.9 | Very high | 58 Ų | 58 | 65.6 Ų | 65.6 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 107.3 | -175.9 | -101.5 | -11.7 | 0 | 0 | 0 | 110.4 | K2584 D2828 D2829 | K2584-N2831 VanDerWaalsContact CE-OD1 3.24Å; K2584-N2831 WeakPolarHBondContact CE-OD1 3.46Å; K2584-N2831 PolarHBondContact NZ-OD1 2.99Å; D2828-N2831 PolarHBondContact N-O 3.01Å; D2828-N2831 WeakPolarHBondContact O-CA 3.4Å; D2828-N2831 WeakPolarHBondContact O-CB 3.35Å; D2828-N2831 PolarHBondContact O-N 3.28Å; D2829-N2831 VanDerWaalsContact C-N 3.3Å; D2829-N2831 PolarHBondContact O-N 3.18Å |
| 2832 | V | 93.4 | Very high | 92 | Very high | 25.6 Ų | 25.6 | 65.6 Ų | 65.6 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.2 | 172.9 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | F2455 Y2825 K2826 Y2827 | F2455-V2832 HydrophobicContact CB-CB 4.21Å; F2455-V2832 HydrophobicContact CB-CG1 3.81Å; F2455-V2832 HydrophobicContact CB-CG2 4.4Å; F2455-V2832 HydrophobicContact CD2-CG1 4.23Å; F2455-V2832 HydrophobicContact CG-CG1 4.46Å; Y2825-V2832 HydrophobicContact CD1-CG1 4.29Å; K2826-V2832 CarbonylContact O-C 3.42Å; K2826-V2832 VanDerWaalsContact O-CA 3.3Å; K2826-V2832 WeakPolarHBondContact O-CA 3.31Å; Y2827-V2832 HydrophobicContact CD1-CB 4.25Å; Y2827-V2832 HydrophobicContact CD1-CG1 3.77Å; Y2827-V2832 HydrophobicContact CD1-CG2 3.52Å; Y2827-V2832 VanDerWaalsContact CD1-CG2 3.48Å; Y2827-V2832 HydrophobicContact CD2-CG1 4.08Å; Y2827-V2832 HydrophobicContact CE1-CB 4.34Å; Y2827-V2832 HydrophobicContact CE1-CG1 3.61Å; Y2827-V2832 HydrophobicContact CE1-CG2 3.83Å; Y2827-V2832 HydrophobicContact CE2-CG1 4.03Å; Y2827-V2832 HydrophobicContact CG-CG1 4.06Å; Y2827-V2832 HydrophobicContact CG-CG2 4.25Å |
| 2833 | I | 92.5 | Very high | 92.1 | Very high | 77.8 Ų | 77.8 | 61.8 Ų | 61.8 | 40% | 0.399 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144 | -175.4 | 59.5 | 172.8 | 0 | 0 | 0 | 112.2 | Y2825 K2826 V2835 | Y2825-I2833 CarbonylContact C-O 3.44Å; Y2825-I2833 VanDerWaalsContact CA-O 3.27Å; Y2825-I2833 WeakPolarHBondContact CA-O 3.41Å; K2826-I2833 HydrophobicContact CB-CD1 4.49Å; K2826-I2833 HydrophobicContact CB-CG1 3.98Å; K2826-I2833 HydrophobicContact CD-CD1 4.28Å; K2826-I2833 HydrophobicContact CD-CG1 4.45Å; K2826-I2833 PolarHBondContact N-O 3.23Å; K2826-I2833 PolarHBondContact O-N 3.06Å; I2833-V2835 HydrophobicContact CD1-CG1 4.48Å; I2833-V2835 HydrophobicContact CG1-CG1 4.41Å |
| 2834 | P | 91.4 | Very high | 92 | Very high | 66.2 Ų | 66.2 | 61.2 Ų | 61.2 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 141.1 | 172.8 | 29.8 | -34 | 0 | 0 | 0 | 111.2 | K2823 Y2825 | K2823-P2834 HydrophobicContact CD-CB 4.33Å; K2823-P2834 VanDerWaalsContact CE-CB 3.49Å; K2823-P2834 VanDerWaalsContact NZ-CB 3.32Å; Y2825-P2834 HydrophobicContact CD1-CB 4.2Å; Y2825-P2834 HydrophobicContact CE1-CB 4.09Å |
| 2835 | V | 91.8 | Very high | 91.8 | Very high | 33.6 Ų | 33.6 | 64.4 Ų | 64.4 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 157.8 | -179.6 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | F2811 W2824 K2826 I2833 L2837 | F2811-V2835 HydrophobicContact CD1-CG2 4.03Å; F2811-V2835 HydrophobicContact CE1-CG1 4.49Å; F2811-V2835 HydrophobicContact CE1-CG2 4.2Å; W2824-V2835 HydrophobicContact CB-CG2 3.74Å; W2824-V2835 PolarHBondContact O-N 3.23Å; K2826-V2835 HydrophobicContact CB-CG1 3.93Å; I2833-V2835 HydrophobicContact CD1-CG1 4.48Å; I2833-V2835 HydrophobicContact CG1-CG1 4.41Å; V2835-L2837 VanDerWaalsContact C-N 3.35Å; V2835-L2837 HydrophobicContact CB-CD1 4.44Å; V2835-L2837 HydrophobicContact CB-CG 4.2Å; V2835-L2837 HydrophobicContact CG2-CD1 3.63Å; V2835-L2837 VanDerWaalsContact CG2-CD1 3.5Å; V2835-L2837 HydrophobicContact CG2-CG 3.74Å; V2835-L2837 PolarHBondContact O-N 3.37Å |
| 2836 | R | 89.8 | Confident | 91.7 | Very high | 187.4 Ų | 187.4 | 66.7 Ų | 66.7 | 71% | 0.707 | 33% | 0.326 | S | S | * | . | trans | -101.7 | 35.8 | -172 | -69.1 | 179.2 | 179.7 | 171.8 | -0.5 | 113.7 | D2838 K2839 E2842 | R2836-D2838 PolarHBondContact O-N 3.08Å; R2836-K2839 PolarHBondContact O-N 3.37Å; R2836-K2839 VanDerWaalsContact O-N 3.13Å; R2836-E2842 WeakPolarHBondContact CA-OE2 3.46Å; R2836-E2842 VanDerWaalsContact CB-OE2 3.26Å; R2836-E2842 WeakPolarHBondContact CB-OE2 3.34Å; R2836-E2842 VanDerWaalsContact O-OE2 3.07Å | ||
| 2837 | L | 91.9 | Very high | 91.7 | Very high | 4.4 Ų | 4.4 | 65.1 Ų | 65.1 | 2% | 0.023 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 10.4 | -178.5 | -57.2 | 176.3 | 0 | 0 | 0 | 114.9 | R2744 F2811 W2824 V2835 K2839 E2842 Q2846 W2847 | R2744-L2837 VanDerWaalsContact CZ-O 3.26Å; R2744-L2837 PolarHBondContact NH1-O 3.06Å; R2744-L2837 PolarHBondContact NH2-O 3.31Å; F2811-L2837 HydrophobicContact CB-CD1 4.2Å; F2811-L2837 HydrophobicContact CD1-CD1 3.31Å; F2811-L2837 HydrophobicContact CD2-CD1 4.28Å; F2811-L2837 HydrophobicContact CE1-CD1 3.55Å; F2811-L2837 HydrophobicContact CE2-CD1 4.42Å; F2811-L2837 HydrophobicContact CG-CD1 3.69Å; F2811-L2837 HydrophobicContact CZ-CD1 4.1Å; W2824-L2837 HydrophobicContact CB-CB 4.18Å; W2824-L2837 HydrophobicContact CB-CD1 4.48Å; W2824-L2837 HydrophobicContact CD2-CB 4.37Å; W2824-L2837 HydrophobicContact CG-CB 3.95Å; V2835-L2837 VanDerWaalsContact C-N 3.35Å; V2835-L2837 HydrophobicContact CB-CD1 4.44Å; V2835-L2837 HydrophobicContact CB-CG 4.2Å; V2835-L2837 HydrophobicContact CG2-CD1 3.63Å; V2835-L2837 VanDerWaalsContact CG2-CD1 3.5Å; V2835-L2837 HydrophobicContact CG2-CG 3.74Å; V2835-L2837 PolarHBondContact O-N 3.37Å; L2837-K2839 VanDerWaalsContact C-N 3.26Å; L2837-E2842 HydrophobicContact CD2-CB 4.14Å; L2837-E2842 WeakPolarHBondContact CD2-O 3.29Å; L2837-Q2846 HydrophobicContact CD2-CB 4.36Å; L2837-Q2846 HydrophobicContact CD2-CG 3.97Å; L2837-W2847 HydrophobicContact CB-CH2 4.27Å; L2837-W2847 HydrophobicContact CB-CZ2 4.11Å; L2837-W2847 HydrophobicContact CD1-CH2 4.47Å; L2837-W2847 HydrophobicContact CD1-CZ2 3.58Å; L2837-W2847 HydrophobicContact CG-CZ2 4.37Å |
| 2838 | D | 87.6 | Confident | 91.5 | Very high | 91.8 Ų | 91.8 | 65.4 Ų | 65.4 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.1 | 166.6 | -57.3 | -59.3 | 0 | 0 | 0 | 111.9 | W2824 R2836 | W2824-D2838 VanDerWaalsContact CD1-OD1 3.26Å; W2824-D2838 PolarHBondContact NE1-OD1 3.29Å; R2836-D2838 PolarHBondContact O-N 3.08Å |
| 2839 | K | 88.2 | Confident | 91.3 | Very high | 115.8 Ų | 115.8 | 63.8 Ų | 63.8 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -83.3 | 137.1 | 167.5 | -66.1 | -172.1 | -172.2 | 169.6 | 0 | 110.9 | R2744 R2836 L2837 E2841 E2842 A2843 | R2744-K2839 VanDerWaalsContact NH2-C 3.34Å; R2744-K2839 PolarHBondContact NH2-O 3.3Å; R2744-K2839 VanDerWaalsContact NH2-O 3.17Å; R2836-K2839 PolarHBondContact O-N 3.37Å; R2836-K2839 VanDerWaalsContact O-N 3.13Å; L2837-K2839 VanDerWaalsContact C-N 3.26Å; K2839-E2841 VanDerWaalsContact C-N 3.35Å; K2839-E2841 PolarHBondContact O-N 3.02Å; K2839-E2842 HydrophobicContact CB-CB 4.41Å; K2839-E2842 HydrophobicContact CB-CG 4.27Å; K2839-E2842 HydrophobicContact CD-CG 4.41Å; K2839-E2842 WeakPolarHBondContact CD-OE1 3.4Å; K2839-E2842 WeakPolarHBondContact CE-OE1 3.26Å; K2839-E2842 IonicContact NZ-OE1 3.32Å; K2839-E2842 PolarHBondContact NZ-OE1 3.27Å; K2839-E2842 PolarHBondContact O-N 3.24Å; K2839-A2843 WeakPolarHBondContact O-CB 3.32Å; K2839-A2843 PolarHBondContact O-N 3.06Å; K2839-A2843 VanDerWaalsContact O-N 3.13Å |
| 2840 | D | 87.9 | Confident | 91 | Very high | 111.2 Ų | 111.2 | 62.3 Ų | 62.3 | 60% | 0.595 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -73.1 | -29 | -177.9 | -61.5 | -37.8 | 0 | 0 | 0 | 113.4 | R2744 A2843 M2844 | R2744-D2840 IonicContact CZ-OD1 3.34Å; R2744-D2840 VanDerWaalsContact CZ-OD1 3.23Å; R2744-D2840 IonicContact NE-OD1 3.16Å; R2744-D2840 PolarHBondContact NE-OD1 3.04Å; R2744-D2840 IonicContact NH2-OD1 3.7Å; R2744-D2840 PolarHBondContact NH2-OD1 3.01Å; D2840-A2843 PolarHBondContact O-N 2.99Å; D2840-M2844 VanDerWaalsContact O-CB 3.28Å; D2840-M2844 WeakPolarHBondContact O-CB 3.38Å; D2840-M2844 PolarHBondContact O-N 3.2Å |
| 2841 | E | 88 | Confident | 90.8 | Very high | 143.2 Ų | 143.2 | 64 Ų | 64 | 67% | 0.669 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.2 | -50.1 | 172.3 | -64.5 | 176.6 | 162.3 | 0 | 0 | 111.6 | K2839 A2843 M2844 D2845 | K2839-E2841 VanDerWaalsContact C-N 3.35Å; K2839-E2841 PolarHBondContact O-N 3.02Å; E2841-A2843 VanDerWaalsContact C-N 3.31Å; E2841-A2843 PolarHBondContact O-N 2.94Å; E2841-M2844 WeakPolarHBondContact O-CB 3.29Å; E2841-M2844 PolarHBondContact O-N 3.08Å; E2841-D2845 PolarHBondContact O-N 3.25Å; E2841-D2845 VanDerWaalsContact O-N 3.08Å |
| 2842 | E | 89.2 | Confident | 90 | Very high | 63.6 Ų | 63.6 | 65.2 Ų | 65.2 | 30% | 0.297 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 178.8 | -62.8 | -175 | -150.9 | 0 | 0 | 111.5 | R2836 L2837 K2839 Q2846 | R2836-E2842 WeakPolarHBondContact CA-OE2 3.46Å; R2836-E2842 VanDerWaalsContact CB-OE2 3.26Å; R2836-E2842 WeakPolarHBondContact CB-OE2 3.34Å; R2836-E2842 VanDerWaalsContact O-OE2 3.07Å; L2837-E2842 HydrophobicContact CD2-CB 4.14Å; L2837-E2842 WeakPolarHBondContact CD2-O 3.29Å; K2839-E2842 HydrophobicContact CB-CB 4.41Å; K2839-E2842 HydrophobicContact CB-CG 4.27Å; K2839-E2842 HydrophobicContact CD-CG 4.41Å; K2839-E2842 WeakPolarHBondContact CD-OE1 3.4Å; K2839-E2842 WeakPolarHBondContact CE-OE1 3.26Å; K2839-E2842 IonicContact NZ-OE1 3.32Å; K2839-E2842 PolarHBondContact NZ-OE1 3.27Å; K2839-E2842 PolarHBondContact O-N 3.24Å; E2842-Q2846 VanDerWaalsContact O-CG 3.3Å; E2842-Q2846 WeakPolarHBondContact O-CG 3.41Å; E2842-Q2846 PolarHBondContact O-N 3.04Å |
| 2843 | A | 91.1 | Very high | 88.8 | Confident | 1.6 Ų | 1.6 | 72.3 Ų | 72.3 | 1% | 0.013 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.2 | -47.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K2839 D2840 E2841 D2845 Q2846 W2847 | K2839-A2843 WeakPolarHBondContact O-CB 3.32Å; K2839-A2843 PolarHBondContact O-N 3.06Å; K2839-A2843 VanDerWaalsContact O-N 3.13Å; D2840-A2843 PolarHBondContact O-N 2.99Å; E2841-A2843 VanDerWaalsContact C-N 3.31Å; E2841-A2843 PolarHBondContact O-N 2.94Å; A2843-D2845 VanDerWaalsContact C-N 3.32Å; A2843-D2845 PolarHBondContact O-N 3.15Å; A2843-Q2846 PolarHBondContact O-N 3.04Å; A2843-Q2846 VanDerWaalsContact O-N 3.17Å; A2843-W2847 HydrophobicContact CB-CD2 4.3Å; A2843-W2847 HydrophobicContact CB-CE3 3.68Å; A2843-W2847 HydrophobicContact CB-CH2 4.29Å; A2843-W2847 HydrophobicContact CB-CZ3 3.66Å; A2843-W2847 VanDerWaalsContact O-CB 3.26Å; A2843-W2847 WeakPolarHBondContact O-CB 3.32Å; A2843-W2847 PolarHBondContact O-N 2.98Å |
| 2844 | M | 91.3 | Very high | 87.3 | Confident | 65.4 Ų | 65.4 | 70.5 Ų | 70.5 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.7 | -47.3 | 176.5 | 175.2 | -176.2 | 65.9 | 0 | 0 | 111.2 | Y2739 D2840 E2841 Q2846 W2847 F2848 | Y2739-M2844 HydrophobicContact CE2-CG 4.23Å; Y2739-M2844 HydrophobicContact CE2-SD 4.4Å; D2840-M2844 VanDerWaalsContact O-CB 3.28Å; D2840-M2844 WeakPolarHBondContact O-CB 3.38Å; D2840-M2844 PolarHBondContact O-N 3.2Å; E2841-M2844 WeakPolarHBondContact O-CB 3.29Å; E2841-M2844 PolarHBondContact O-N 3.08Å; M2844-Q2846 VanDerWaalsContact C-N 3.29Å; M2844-Q2846 PolarHBondContact O-N 3.19Å; M2844-W2847 PolarHBondContact O-N 3.14Å; M2844-F2848 HydrophobicContact CB-CD2 3.91Å; M2844-F2848 HydrophobicContact CB-CE2 4.23Å; M2844-F2848 HydrophobicContact CG-CD2 3.88Å; M2844-F2848 PolarHBondContact O-N 2.98Å; M2844-F2848 VanDerWaalsContact O-N 3.15Å |
| 2845 | D | 90.3 | Very high | 85.9 | Confident | 69.4 Ų | 69.4 | 71 Ų | 71 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.9 | -28.4 | -178.7 | -91.6 | -28 | 0 | 0 | 0 | 113.8 | E2841 A2843 R2870 W2872 | E2841-D2845 PolarHBondContact O-N 3.25Å; E2841-D2845 VanDerWaalsContact O-N 3.08Å; A2843-D2845 VanDerWaalsContact C-N 3.32Å; A2843-D2845 PolarHBondContact O-N 3.15Å; D2845-R2870 IonicContact OD1-CZ 3.16Å; D2845-R2870 VanDerWaalsContact OD1-CZ 3.27Å; D2845-R2870 IonicContact OD1-NE 2.78Å; D2845-R2870 PolarHBondContact OD1-NE 3.34Å; D2845-R2870 VanDerWaalsContact OD1-NE 3.11Å; D2845-R2870 IonicContact OD1-NH2 3.35Å; D2845-R2870 PolarHBondContact OD1-NH2 3.01Å; D2845-W2872 PolarHBondContact O-NE1 2.89Å |
| 2846 | Q | 92.4 | Very high | 84.2 | Confident | 63.4 Ų | 63.4 | 75 Ų | 75 | 30% | 0.296 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -91.6 | -27.6 | 179.5 | -66.8 | -62.5 | -60.3 | 0 | 0 | 113.8 | F2811 L2837 E2842 A2843 M2844 | F2811-Q2846 HydrophobicContact CE2-CB 4.2Å; F2811-Q2846 HydrophobicContact CZ-CB 4.22Å; F2811-Q2846 HydrophobicContact CZ-CG 4.28Å; L2837-Q2846 HydrophobicContact CD2-CB 4.36Å; L2837-Q2846 HydrophobicContact CD2-CG 3.97Å; E2842-Q2846 VanDerWaalsContact O-CG 3.3Å; E2842-Q2846 WeakPolarHBondContact O-CG 3.41Å; E2842-Q2846 PolarHBondContact O-N 3.04Å; A2843-Q2846 PolarHBondContact O-N 3.04Å; A2843-Q2846 VanDerWaalsContact O-N 3.17Å; M2844-Q2846 VanDerWaalsContact C-N 3.29Å; M2844-Q2846 PolarHBondContact O-N 3.19Å |
| 2847 | W | 95.5 | Very high | 82.7 | Confident | 3.4 Ų | 3.4 | 73.7 Ų | 73.7 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -116.6 | -45.4 | -164.3 | -62.9 | -18 | 0 | 0 | 0 | 115.2 | F2742 L2793 V2796 F2811 W2824 L2837 A2843 M2844 G2849 A2874 | F2742-W2847 HydrophobicContact CE1-CB 4.21Å; F2742-W2847 HydrophobicContact CE2-CD2 4.44Å; F2742-W2847 AromaticContact CE2-CE3 3.89Å; F2742-W2847 HydrophobicContact CE2-CE3 3.89Å; F2742-W2847 HydrophobicContact CE2-CZ3 4.46Å; F2742-W2847 HydrophobicContact CZ-CB 3.73Å; F2742-W2847 HydrophobicContact CZ-CD2 4.23Å; F2742-W2847 AromaticContact CZ-CE3 3.97Å; F2742-W2847 HydrophobicContact CZ-CE3 4.05Å; F2742-W2847 HydrophobicContact CZ-CG 4.14Å; L2793-W2847 HydrophobicContact CD2-CE3 4.44Å; L2793-W2847 HydrophobicContact CD2-CH2 4.02Å; L2793-W2847 HydrophobicContact CD2-CZ3 3.72Å; V2796-W2847 HydrophobicContact CB-CZ2 4.47Å; V2796-W2847 HydrophobicContact CG1-CD2 4.43Å; V2796-W2847 HydrophobicContact CG1-CG 4.17Å; V2796-W2847 HydrophobicContact CG2-CD2 4.13Å; V2796-W2847 HydrophobicContact CG2-CE3 4.4Å; V2796-W2847 HydrophobicContact CG2-CH2 4.28Å; V2796-W2847 HydrophobicContact CG2-CZ2 3.95Å; V2796-W2847 HydrophobicContact CG2-CZ3 4.35Å; F2811-W2847 HydrophobicContact CB-CZ2 4.35Å; F2811-W2847 AromaticContact CD2-CD1 3.84Å; F2811-W2847 AromaticContact CD2-NE1 3.1Å; F2811-W2847 AromaticContact CE2-CD1 3.85Å; F2811-W2847 AromaticContact CE2-NE1 3.43Å; F2811-W2847 AromaticContact CG-NE1 3.77Å; W2824-W2847 HydrophobicContact CD2-CH2 4.39Å; W2824-W2847 HydrophobicContact CD2-CZ2 4.49Å; W2824-W2847 HydrophobicContact CE3-CH2 4.35Å; W2824-W2847 HydrophobicContact CE3-CZ2 4.3Å; W2824-W2847 AromaticContact CH2-CH2 3.89Å; W2824-W2847 HydrophobicContact CH2-CH2 3.89Å; W2824-W2847 HydrophobicContact CH2-CZ2 4.27Å; W2824-W2847 AromaticContact CZ2-CH2 3.92Å; W2824-W2847 HydrophobicContact CZ2-CH2 3.92Å; W2824-W2847 HydrophobicContact CZ2-CZ2 4.48Å; W2824-W2847 HydrophobicContact CZ3-CH2 4.2Å; W2824-W2847 AromaticContact CZ3-CZ2 4Å; W2824-W2847 HydrophobicContact CZ3-CZ2 4.11Å; L2837-W2847 HydrophobicContact CB-CH2 4.27Å; L2837-W2847 HydrophobicContact CB-CZ2 4.11Å; L2837-W2847 HydrophobicContact CD1-CH2 4.47Å; L2837-W2847 HydrophobicContact CD1-CZ2 3.58Å; L2837-W2847 HydrophobicContact CG-CZ2 4.37Å; A2843-W2847 HydrophobicContact CB-CD2 4.3Å; A2843-W2847 HydrophobicContact CB-CE3 3.68Å; A2843-W2847 HydrophobicContact CB-CH2 4.29Å; A2843-W2847 HydrophobicContact CB-CZ3 3.66Å; A2843-W2847 VanDerWaalsContact O-CB 3.26Å; A2843-W2847 WeakPolarHBondContact O-CB 3.32Å; A2843-W2847 PolarHBondContact O-N 2.98Å; M2844-W2847 PolarHBondContact O-N 3.14Å; W2847-G2849 VanDerWaalsContact C-N 3.33Å; W2847-G2849 PolarHBondContact O-N 3.05Å; W2847-A2874 HydrophobicContact CB-CB 4.29Å; W2847-A2874 WeakPolarHBondContact O-CB 3.37Å; W2847-A2874 PolarHBondContact O-N 3.12Å |
| 2848 | F | 94.8 | Very high | 80.9 | Confident | 26.6 Ų | 26.6 | 77.9 Ų | 77.9 | 12% | 0.117 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -17.1 | -162.2 | -62.1 | -13.3 | 0 | 0 | 0 | 113.7 | R2723 Y2739 C2740 E2741 F2742 M2844 | R2723-F2848 PolarHBondContact NH2-O 3.29Å; Y2739-F2848 WeakPolarHBondContact CA-O 3.27Å; Y2739-F2848 HydrophobicContact CD2-CB 4.03Å; Y2739-F2848 HydrophobicContact CE2-CB 3.78Å; Y2739-F2848 AromaticContact CE2-CD2 3.99Å; Y2739-F2848 HydrophobicContact CE2-CD2 3.99Å; Y2739-F2848 HydrophobicContact CE2-CG 4.4Å; Y2739-F2848 AromaticContact CZ-CD2 3.87Å; Y2739-F2848 WeakPolarHBondContact OH-CD2 3.39Å; C2740-F2848 PolarHBondContact N-O 3.09Å; C2740-F2848 WeakPolarHBondContact O-CA 3.35Å; C2740-F2848 WeakPolarHBondContact O-CB 3.48Å; C2740-F2848 WeakPolarHBondContact O-CD1 3.36Å; E2741-F2848 HydrophobicContact CB-CD1 4.42Å; E2741-F2848 HydrophobicContact CB-CD2 3.64Å; E2741-F2848 HydrophobicContact CB-CE1 4.35Å; E2741-F2848 HydrophobicContact CB-CE2 3.56Å; E2741-F2848 HydrophobicContact CB-CG 4.11Å; E2741-F2848 HydrophobicContact CB-CZ 3.93Å; F2742-F2848 AromaticContact CD1-CD1 3.92Å; F2742-F2848 HydrophobicContact CD1-CD1 3.92Å; F2742-F2848 AromaticContact CD1-CE1 3.82Å; F2742-F2848 HydrophobicContact CD1-CE1 3.82Å; F2742-F2848 HydrophobicContact CD2-CE1 4.17Å; F2742-F2848 AromaticContact CE1-CD1 3.63Å; F2742-F2848 HydrophobicContact CE1-CD1 3.63Å; F2742-F2848 AromaticContact CE1-CE1 3.74Å; F2742-F2848 HydrophobicContact CE1-CE1 3.74Å; F2742-F2848 HydrophobicContact CE2-CE1 4.09Å; F2742-F2848 HydrophobicContact CG-CE1 4.05Å; F2742-F2848 HydrophobicContact CZ-CD1 4.09Å; F2742-F2848 AromaticContact CZ-CE1 3.9Å; F2742-F2848 HydrophobicContact CZ-CE1 3.9Å; M2844-F2848 HydrophobicContact CB-CD2 3.91Å; M2844-F2848 HydrophobicContact CB-CE2 4.23Å; M2844-F2848 HydrophobicContact CG-CD2 3.88Å; M2844-F2848 PolarHBondContact O-N 2.98Å; M2844-F2848 VanDerWaalsContact O-N 3.15Å |
| 2849 | G | 92.6 | Very high | 79.3 | Confident | 0.8 Ų | 0.8 | 78.5 Ų | 78.5 | 1% | 0.008 | 39% | 0.392 | C | S | . | . | trans | 78.3 | -136.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W2847 R2870 | W2847-G2849 VanDerWaalsContact C-N 3.33Å; W2847-G2849 PolarHBondContact O-N 3.05Å; G2849-R2870 WeakPolarHBondContact O-CD 3.38Å; G2849-R2870 PolarHBondContact O-NH1 3.22Å | ||
| 2850 | G | 90.1 | Very high | 77.8 | Confident | 8.4 Ų | 8.4 | 77.6 Ų | 77.6 | 9% | 0.087 | 40% | 0.401 | C | S | . | . | S | Bend | trans | 70.4 | -163.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | N2737 R2870 | N2737-G2850 WeakPolarHBondContact O-CA 3.4Å; N2737-G2850 PolarHBondContact O-N 3.08Å; G2850-R2870 WeakPolarHBondContact O-CB 3.37Å; G2850-R2870 PolarHBondContact O-N 3.28Å |
| 2851 | E | 84.9 | Confident | 76.2 | Confident | 126.8 Ų | 126.8 | 80.6 Ų | 80.6 | 59% | 0.593 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 143 | 178.6 | -66.3 | -175.9 | 178.6 | 0 | 0 | 111.7 | S2867 G2868 K2869 R2870 | E2851-S2867 WeakPolarHBondContact OE2-CB 3.35Å; E2851-S2867 PolarHBondContact OE2-OG 3.06Å; E2851-G2868 CarbonylContact C-O 3.41Å; E2851-G2868 VanDerWaalsContact CA-O 3.28Å; E2851-G2868 WeakPolarHBondContact CA-O 3.42Å; E2851-K2869 HydrophobicContact CG-CG 4.12Å; E2851-K2869 WeakPolarHBondContact OE1-CE 3.41Å; E2851-R2870 VanDerWaalsContact C-NH1 3.28Å; E2851-R2870 PolarHBondContact O-NH1 3.02Å |
| 2852 | W | 75.7 | Confident | 74.4 | Confident | 82.8 Ų | 82.8 | 80.4 Ų | 80.4 | 31% | 0.314 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 141.9 | 171.1 | 75.7 | -85.9 | 0 | 0 | 0 | 110 | V2854 L2865 S2867 G2868 R2870 I3239 R3240 | W2852-V2854 HydrophobicContact CE3-CG2 4.39Å; W2852-V2854 HydrophobicContact CH2-CB 4.18Å; W2852-V2854 HydrophobicContact CH2-CG1 4.14Å; W2852-V2854 HydrophobicContact CH2-CG2 3.79Å; W2852-V2854 VanDerWaalsContact CH2-CG2 3.48Å; W2852-V2854 HydrophobicContact CZ2-CG2 4.29Å; W2852-V2854 HydrophobicContact CZ3-CB 4.21Å; W2852-V2854 HydrophobicContact CZ3-CG1 4.2Å; W2852-V2854 HydrophobicContact CZ3-CG2 3.67Å; W2852-L2865 HydrophobicContact CH2-CD2 4.33Å; W2852-L2865 HydrophobicContact CZ2-CD2 4.44Å; W2852-S2867 WeakPolarHBondContact O-CA 3.39Å; W2852-S2867 WeakPolarHBondContact O-CB 3.39Å; W2852-S2867 PolarHBondContact O-OG 3.29Å; W2852-G2868 VanDerWaalsContact CD1-C 3.49Å; W2852-G2868 PolarHBondContact N-O 3.18Å; W2852-G2868 PolarHBondContact O-N 3.32Å; W2852-G2868 VanDerWaalsContact O-N 3.14Å; W2852-R2870 HydrophobicContact CB-CG 4.27Å; W2852-I3239 HydrophobicContact CZ2-CG2 3.73Å; W2852-R3240 VanDerWaalsContact CZ2-CZ 3.48Å |
| 2853 | K | 67.2 | Low | 72.5 | Confident | 174.8 Ų | 174.8 | 82.4 Ų | 82.4 | 76% | 0.76 | 42% | 0.422 | S | S | * | . | trans | -105.9 | 135.1 | 176.8 | -64.9 | 179.8 | -178.9 | 176.8 | 0 | 108.7 | ||||
| 2854 | V | 62.5 | Low | 70.6 | Confident | 39.6 Ų | 39.6 | 90.1 Ų | 90.1 | 24% | 0.24 | 46% | 0.458 | C | S | . | . | trans | -67.5 | 130.5 | 174.3 | -171.2 | 0 | 0 | 0 | 0 | 109.2 | W2852 D2858 L2865 R2866 | W2852-V2854 HydrophobicContact CE3-CG2 4.39Å; W2852-V2854 HydrophobicContact CH2-CB 4.18Å; W2852-V2854 HydrophobicContact CH2-CG1 4.14Å; W2852-V2854 HydrophobicContact CH2-CG2 3.79Å; W2852-V2854 VanDerWaalsContact CH2-CG2 3.48Å; W2852-V2854 HydrophobicContact CZ2-CG2 4.29Å; W2852-V2854 HydrophobicContact CZ3-CB 4.21Å; W2852-V2854 HydrophobicContact CZ3-CG1 4.2Å; W2852-V2854 HydrophobicContact CZ3-CG2 3.67Å; V2854-D2858 HydrophobicContact CG1-CB 4.21Å; V2854-L2865 HydrophobicContact CG2-CB 4.27Å; V2854-L2865 HydrophobicContact CG2-CD2 4.45Å; V2854-L2865 VanDerWaalsContact CG2-O 3.27Å; V2854-L2865 WeakPolarHBondContact CG2-O 3.45Å; V2854-R2866 WeakPolarHBondContact CG2-O 3.43Å | ||
| 2855 | P | 60.8 | Low | 68.6 | Low | 76.6 Ų | 76.6 | 91.9 Ų | 91.9 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | trans | -59.6 | 138.9 | 172 | -23.3 | 34.1 | 0 | 0 | 0 | 111.1 | H2857 D2858 | P2855-H2857 PolarHBondContact O-N 3.04Å; P2855-D2858 PolarHBondContact O-N 3.19Å; P2855-D2858 VanDerWaalsContact O-N 3.12Å | ||
| 2856 | P | 57 | Low | 66.7 | Low | 118.6 Ų | 118.6 | 98.7 Ų | 98.7 | 77% | 0.77 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.6 | -169.1 | 22.8 | -33.3 | 0 | 0 | 0 | 115.5 | L2859 | P2856-L2859 WeakPolarHBondContact O-CB 3.23Å; P2856-L2859 PolarHBondContact O-N 3.35Å |
| 2857 | H | 57.3 | Low | 65.2 | Low | 159.8 Ų | 159.8 | 98.9 Ų | 98.9 | 74% | 0.74 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -28.9 | -179.8 | 162.4 | -54.2 | 0 | 0 | 0 | 114.3 | P2855 L2859 S2860 | P2855-H2857 PolarHBondContact O-N 3.04Å; H2857-L2859 VanDerWaalsContact C-N 3.29Å; H2857-L2859 PolarHBondContact O-N 3.04Å; H2857-S2860 PolarHBondContact O-OG 2.79Å |
| 2858 | D | 55.1 | Low | 64 | Low | 91.8 Ų | 91.8 | 99.5 Ų | 99.5 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -89.1 | 1 | -178.1 | -79.1 | -38.3 | 0 | 0 | 0 | 113.6 | V2854 P2855 S2860 K2861 F2862 | V2854-D2858 HydrophobicContact CG1-CB 4.21Å; P2855-D2858 PolarHBondContact O-N 3.19Å; P2855-D2858 VanDerWaalsContact O-N 3.12Å; D2858-S2860 PolarHBondContact O-N 3.2Å; D2858-S2860 VanDerWaalsContact O-N 3.08Å; D2858-K2861 PolarHBondContact O-N 3.06Å; D2858-F2862 PolarHBondContact O-N 3.05Å |
| 2859 | L | 54.4 | Low | 63.3 | Low | 104.2 Ų | 104.2 | 104.9 Ų | 104.9 | 55% | 0.546 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -65 | -4.1 | -176.8 | -145.1 | 73 | 0 | 0 | 0 | 113 | P2856 H2857 K2861 T2863 | P2856-L2859 WeakPolarHBondContact O-CB 3.23Å; P2856-L2859 PolarHBondContact O-N 3.35Å; H2857-L2859 VanDerWaalsContact C-N 3.29Å; H2857-L2859 PolarHBondContact O-N 3.04Å; L2859-K2861 VanDerWaalsContact C-N 3.28Å; L2859-K2861 PolarHBondContact O-N 2.97Å; L2859-T2863 WeakPolarHBondContact CD1-O 3.21Å |
| 2860 | S | 54.8 | Low | 63.1 | Low | 97.2 Ų | 97.2 | 105.8 Ų | 105.8 | 68% | 0.68 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -71.9 | -14.7 | 174.5 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | H2857 D2858 F2862 T2863 | H2857-S2860 PolarHBondContact O-OG 2.79Å; D2858-S2860 PolarHBondContact O-N 3.2Å; D2858-S2860 VanDerWaalsContact O-N 3.08Å; S2860-F2862 PolarHBondContact O-N 3.25Å; S2860-T2863 PolarHBondContact O-N 3.33Å; S2860-T2863 PolarHBondContact O-OG1 2.9Å |
| 2861 | K | 54.5 | Low | 63.1 | Low | 175.6 Ų | 175.6 | 111.1 Ų | 111.1 | 76% | 0.763 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -12.4 | -175.4 | -69.8 | -179 | 179.2 | 175.1 | 0 | 115.1 | D2858 L2859 | D2858-K2861 PolarHBondContact O-N 3.06Å; L2859-K2861 VanDerWaalsContact C-N 3.28Å; L2859-K2861 PolarHBondContact O-N 2.97Å |
| 2862 | F | 51.7 | Low | 63.5 | Low | 139 Ų | 139 | 107.6 Ų | 107.6 | 61% | 0.61 | 53% | 0.53 | S | S | * | . | trans | -136.2 | 59.2 | -174.4 | -71.4 | -75.6 | 0 | 0 | 0 | 113.3 | D2858 S2860 H2864 L2865 | D2858-F2862 PolarHBondContact O-N 3.05Å; S2860-F2862 PolarHBondContact O-N 3.25Å; F2862-H2864 PolarHBondContact O-N 3.21Å; F2862-L2865 HydrophobicContact CB-CB 4.06Å; F2862-L2865 HydrophobicContact CB-CD1 3.72Å; F2862-L2865 HydrophobicContact CB-CD2 3.92Å; F2862-L2865 HydrophobicContact CB-CG 4.24Å; F2862-L2865 HydrophobicContact CD1-CD1 3.92Å; F2862-L2865 HydrophobicContact CD1-CD2 4.16Å; F2862-L2865 HydrophobicContact CD2-CD1 4.47Å; F2862-L2865 HydrophobicContact CG-CD1 4.04Å; F2862-L2865 HydrophobicContact CG-CD2 3.99Å; F2862-L2865 WeakPolarHBondContact O-CB 3.42Å; F2862-L2865 PolarHBondContact O-N 2.94Å; F2862-L2865 VanDerWaalsContact O-N 3.13Å | ||
| 2863 | T | 49 | Very low | 64.5 | Low | 103.6 Ų | 103.6 | 103.7 Ų | 103.7 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 8.9 | -179.1 | 46.6 | 0 | 0 | 0 | 0 | 115.1 | L2859 S2860 L2865 | L2859-T2863 WeakPolarHBondContact CD1-O 3.21Å; S2860-T2863 PolarHBondContact O-N 3.33Å; S2860-T2863 PolarHBondContact O-OG1 2.9Å; T2863-L2865 PolarHBondContact O-N 3.23Å |
| 2864 | H | 51.6 | Low | 66 | Low | 164 Ų | 164 | 95.4 Ų | 95.4 | 76% | 0.759 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 4.2 | 179.5 | -62.9 | -71.2 | 0 | 0 | 0 | 114.1 | F2862 R2866 | F2862-H2864 PolarHBondContact O-N 3.21Å; H2864-R2866 VanDerWaalsContact C-N 3.33Å; H2864-R2866 PolarHBondContact O-N 2.92Å; H2864-R2866 VanDerWaalsContact O-N 3.08Å |
| 2865 | L | 48 | Very low | 67.6 | Low | 102.6 Ų | 102.6 | 93.6 Ų | 93.6 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | trans | -74.8 | 82.5 | 175.7 | -84 | 98.1 | 0 | 0 | 0 | 112.9 | W2852 V2854 F2862 T2863 R3240 | W2852-L2865 HydrophobicContact CH2-CD2 4.33Å; W2852-L2865 HydrophobicContact CZ2-CD2 4.44Å; V2854-L2865 HydrophobicContact CG2-CB 4.27Å; V2854-L2865 HydrophobicContact CG2-CD2 4.45Å; V2854-L2865 VanDerWaalsContact CG2-O 3.27Å; V2854-L2865 WeakPolarHBondContact CG2-O 3.45Å; F2862-L2865 HydrophobicContact CB-CB 4.06Å; F2862-L2865 HydrophobicContact CB-CD1 3.72Å; F2862-L2865 HydrophobicContact CB-CD2 3.92Å; F2862-L2865 HydrophobicContact CB-CG 4.24Å; F2862-L2865 HydrophobicContact CD1-CD1 3.92Å; F2862-L2865 HydrophobicContact CD1-CD2 4.16Å; F2862-L2865 HydrophobicContact CD2-CD1 4.47Å; F2862-L2865 HydrophobicContact CG-CD1 4.04Å; F2862-L2865 HydrophobicContact CG-CD2 3.99Å; F2862-L2865 WeakPolarHBondContact O-CB 3.42Å; F2862-L2865 PolarHBondContact O-N 2.94Å; F2862-L2865 VanDerWaalsContact O-N 3.13Å; T2863-L2865 PolarHBondContact O-N 3.23Å; L2865-R3240 VanDerWaalsContact CB-CZ 3.41Å; L2865-R3240 PolarHBondContact O-NH2 3.41Å | ||
| 2866 | R | 51.1 | Low | 69.4 | Low | 213.4 Ų | 213.4 | 90 Ų | 90 | 81% | 0.805 | 44% | 0.444 | S | S | * | . | trans | -77.5 | 131.6 | 170.4 | -64.2 | -175.6 | -178.7 | -173.8 | 1.1 | 111.9 | V2854 H2864 G2868 R3240 | V2854-R2866 WeakPolarHBondContact CG2-O 3.43Å; H2864-R2866 VanDerWaalsContact C-N 3.33Å; H2864-R2866 PolarHBondContact O-N 2.92Å; H2864-R2866 VanDerWaalsContact O-N 3.08Å; R2866-G2868 PolarHBondContact O-N 2.88Å; R2866-R3240 VanDerWaalsContact O-CZ 3.29Å; R2866-R3240 PolarHBondContact O-NH1 3.05Å; R2866-R3240 PolarHBondContact O-NH2 2.94Å | ||
| 2867 | S | 60.6 | Low | 71.4 | Confident | 66.6 Ų | 66.6 | 84.3 Ų | 84.3 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | trans | -65.6 | 136.5 | 168.7 | -69.8 | 0 | 0 | 0 | 0 | 110.1 | E2851 W2852 | E2851-S2867 WeakPolarHBondContact OE2-CB 3.35Å; E2851-S2867 PolarHBondContact OE2-OG 3.06Å; W2852-S2867 WeakPolarHBondContact O-CA 3.39Å; W2852-S2867 WeakPolarHBondContact O-CB 3.39Å; W2852-S2867 PolarHBondContact O-OG 3.29Å | ||
| 2868 | G | 70.1 | Confident | 73.4 | Confident | 16.4 Ų | 16.4 | 77.2 Ų | 77.2 | 17% | 0.169 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 154.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E2851 W2852 R2866 | E2851-G2868 CarbonylContact C-O 3.41Å; E2851-G2868 VanDerWaalsContact CA-O 3.28Å; E2851-G2868 WeakPolarHBondContact CA-O 3.42Å; W2852-G2868 VanDerWaalsContact CD1-C 3.49Å; W2852-G2868 PolarHBondContact N-O 3.18Å; W2852-G2868 PolarHBondContact O-N 3.32Å; W2852-G2868 VanDerWaalsContact O-N 3.14Å; R2866-G2868 PolarHBondContact O-N 2.88Å |
| 2869 | K | 79.7 | Confident | 75.4 | Confident | 139.6 Ų | 139.6 | 72.8 Ų | 72.8 | 61% | 0.607 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 131.8 | 170 | -80.6 | -179.1 | -179.4 | -176.9 | 0 | 109.5 | N2737 E2851 W2871 | N2737-K2869 HydrophobicContact CB-CD 4.45Å; N2737-K2869 HydrophobicContact CB-CG 4.19Å; E2851-K2869 HydrophobicContact CG-CG 4.12Å; E2851-K2869 WeakPolarHBondContact OE1-CE 3.41Å; K2869-W2871 PolarHBondContact O-N 3.15Å |
| 2870 | R | 89.2 | Confident | 77.4 | Confident | 20 Ų | 20 | 68.8 Ų | 68.8 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | trans | -68.6 | 118.9 | 168 | -65.4 | -171.8 | -172.6 | 73.3 | 1.9 | 107.7 | N2737 D2845 G2849 G2850 E2851 W2852 W2872 | N2737-R2870 VanDerWaalsContact CB-O 3.27Å; N2737-R2870 WeakPolarHBondContact CB-O 3.36Å; N2737-R2870 VanDerWaalsContact CG-O 3.25Å; N2737-R2870 PolarHBondContact OD1-O 3.15Å; D2845-R2870 IonicContact OD1-CZ 3.16Å; D2845-R2870 VanDerWaalsContact OD1-CZ 3.27Å; D2845-R2870 IonicContact OD1-NE 2.78Å; D2845-R2870 PolarHBondContact OD1-NE 3.34Å; D2845-R2870 VanDerWaalsContact OD1-NE 3.11Å; D2845-R2870 IonicContact OD1-NH2 3.35Å; D2845-R2870 PolarHBondContact OD1-NH2 3.01Å; G2849-R2870 WeakPolarHBondContact O-CD 3.38Å; G2849-R2870 PolarHBondContact O-NH1 3.22Å; G2850-R2870 WeakPolarHBondContact O-CB 3.37Å; G2850-R2870 PolarHBondContact O-N 3.28Å; E2851-R2870 VanDerWaalsContact C-NH1 3.28Å; E2851-R2870 PolarHBondContact O-NH1 3.02Å; W2852-R2870 HydrophobicContact CB-CG 4.27Å; R2870-W2872 VanDerWaalsContact C-N 3.29Å; R2870-W2872 HydrophobicContact CB-CD2 4.42Å; R2870-W2872 HydrophobicContact CB-CH2 4.29Å; R2870-W2872 HydrophobicContact CB-CZ2 4.23Å; R2870-W2872 HydrophobicContact CG-CH2 4.33Å; R2870-W2872 HydrophobicContact CG-CZ2 3.89Å | ||
| 2871 | W | 89 | Confident | 79.4 | Confident | 120 Ų | 120 | 65.3 Ų | 65.3 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -94.2 | -2.8 | -179.7 | 47.2 | -78 | 0 | 0 | 0 | 112.6 | K2735 S2800 G2801 K2869 N3282 | K2735-W2871 PolarHBondContact NZ-O 3.24Å; S2800-W2871 WeakPolarHBondContact CA-O 3.42Å; S2800-W2871 WeakPolarHBondContact OG-CZ3 3.37Å; G2801-W2871 PolarHBondContact N-O 3.08Å; G2801-W2871 VanDerWaalsContact N-O 3.1Å; K2869-W2871 PolarHBondContact O-N 3.15Å; W2871-N3282 WeakPolarHBondContact CH2-ND2 3.45Å |
| 2872 | W | 95 | Very high | 81.3 | Confident | 53.6 Ų | 53.6 | 62 Ų | 62 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.5 | 161.4 | 58.9 | 91.8 | 0 | 0 | 0 | 109.9 | V2798 H2799 D2845 R2870 T3238 I3239 | V2798-W2872 HydrophobicContact CG1-CB 4.21Å; H2799-W2872 WeakPolarHBondContact O-CA 3.31Å; D2845-W2872 PolarHBondContact O-NE1 2.89Å; R2870-W2872 VanDerWaalsContact C-N 3.29Å; R2870-W2872 HydrophobicContact CB-CD2 4.42Å; R2870-W2872 HydrophobicContact CB-CH2 4.29Å; R2870-W2872 HydrophobicContact CB-CZ2 4.23Å; R2870-W2872 HydrophobicContact CG-CH2 4.33Å; R2870-W2872 HydrophobicContact CG-CZ2 3.89Å; W2872-T3238 HydrophobicContact CZ3-CG2 4.43Å; W2872-I3239 HydrophobicContact CH2-CD1 3.45Å; W2872-I3239 VanDerWaalsContact CH2-CD1 3.45Å; W2872-I3239 HydrophobicContact CH2-CG1 3.71Å; W2872-I3239 HydrophobicContact CZ2-CD1 4.44Å; W2872-I3239 HydrophobicContact CZ3-CD1 3.97Å; W2872-I3239 HydrophobicContact CZ3-CG1 3.71Å |
| 2873 | S | 96.3 | Very high | 83.3 | Confident | 0.8 Ų | 0.8 | 56.2 Ų | 56.2 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 152.7 | 176 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | R2723 N2737 V2798 H2799 | R2723-S2873 VanDerWaalsContact CD-OG 3.28Å; R2723-S2873 WeakPolarHBondContact CD-OG 3.36Å; R2723-S2873 PolarHBondContact NE-OG 3.33Å; N2737-S2873 PolarHBondContact OD1-OG 3.22Å; N2737-S2873 VanDerWaalsContact OD1-OG 3.05Å; V2798-S2873 WeakPolarHBondContact CA-O 3.45Å; V2798-S2873 WeakPolarHBondContact CG1-O 3.29Å; H2799-S2873 PolarHBondContact N-O 3.1Å; H2799-S2873 PolarHBondContact O-N 3.1Å; H2799-S2873 VanDerWaalsContact O-N 3.12Å |
| 2874 | A | 97.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 139.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2721 R2723 F2742 V2796 W2847 L2877 | L2721-A2874 HydrophobicContact CD1-CB 4.04Å; R2723-A2874 VanDerWaalsContact CD-O 3.26Å; R2723-A2874 WeakPolarHBondContact CD-O 3.37Å; R2723-A2874 PolarHBondContact NE-O 3.22Å; F2742-A2874 HydrophobicContact CE1-CB 3.63Å; F2742-A2874 HydrophobicContact CZ-CB 3.69Å; V2796-A2874 HydrophobicContact CG1-CB 3.54Å; V2796-A2874 VanDerWaalsContact CG1-CB 3.5Å; W2847-A2874 HydrophobicContact CB-CB 4.29Å; W2847-A2874 WeakPolarHBondContact O-CB 3.37Å; W2847-A2874 PolarHBondContact O-N 3.12Å; A2874-L2877 HydrophobicContact CB-CD2 3.97Å |
| 2875 | Y | 97.7 | Very high | 87 | Confident | 1.4 Ų | 1.4 | 48.6 Ų | 48.6 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -52.7 | -179.2 | 177.6 | -134.2 | 0 | 0 | 0 | 111.9 | D2609 A2610 L2611 Q2720 L2721 F2724 V2797 Y2808 | D2609-Y2875 WeakPolarHBondContact OD1-CE1 3.37Å; D2609-Y2875 VanDerWaalsContact OD1-CZ 3.28Å; D2609-Y2875 PolarHBondContact OD1-OH 3.05Å; D2609-Y2875 PolarHBondContact OD2-OH 3.19Å; A2610-Y2875 HydrophobicContact CB-CD1 4.5Å; A2610-Y2875 HydrophobicContact CB-CE1 4.33Å; L2611-Y2875 HydrophobicContact CB-CE1 4.26Å; L2611-Y2875 WeakPolarHBondContact CB-OH 3.23Å; Q2720-Y2875 HydrophobicContact CG-CD2 4.37Å; Q2720-Y2875 HydrophobicContact CG-CE2 3.67Å; Q2720-Y2875 PolarHBondContact NE2-OH 3.09Å; L2721-Y2875 PolarHBondContact N-O 3.17Å; L2721-Y2875 WeakPolarHBondContact O-CD2 3.36Å; F2724-Y2875 HydrophobicContact CD2-CD2 4.05Å; F2724-Y2875 AromaticContact CD2-CE2 3.62Å; F2724-Y2875 HydrophobicContact CD2-CE2 3.62Å; F2724-Y2875 AromaticContact CD2-CZ 3.95Å; F2724-Y2875 HydrophobicContact CE2-CD1 4.3Å; F2724-Y2875 AromaticContact CE2-CD2 3.62Å; F2724-Y2875 HydrophobicContact CE2-CD2 3.62Å; F2724-Y2875 HydrophobicContact CE2-CE1 4.22Å; F2724-Y2875 AromaticContact CE2-CE2 3.57Å; F2724-Y2875 HydrophobicContact CE2-CE2 3.57Å; F2724-Y2875 AromaticContact CE2-CG 3.97Å; F2724-Y2875 HydrophobicContact CE2-CG 4Å; F2724-Y2875 AromaticContact CE2-CZ 3.87Å; V2797-Y2875 PolarHBondContact O-N 3.13Å; Y2808-Y2875 HydrophobicContact CD1-CD1 4.47Å; Y2808-Y2875 AromaticContact CE1-CD1 3.75Å; Y2808-Y2875 HydrophobicContact CE1-CD1 3.75Å; Y2808-Y2875 HydrophobicContact CE1-CE1 4.17Å |
| 2876 | L | 98.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.8 | 173.7 | -53.8 | 175.5 | 0 | 0 | 0 | 110.2 | I2470 L2611 I2719 Q2720 V2796 V2797 F2878 | I2470-L2876 HydrophobicContact CD1-CD1 3.67Å; L2611-L2876 HydrophobicContact CB-CD2 4.36Å; L2611-L2876 HydrophobicContact CD1-CD2 4.18Å; I2719-L2876 CarbonylContact O-C 3.51Å; I2719-L2876 WeakPolarHBondContact O-CA 3.31Å; Q2720-L2876 HydrophobicContact CB-CD2 3.81Å; Q2720-L2876 HydrophobicContact CG-CD2 3.88Å; V2796-L2876 WeakPolarHBondContact CA-O 3.47Å; V2797-L2876 HydrophobicContact CB-CB 3.98Å; V2797-L2876 HydrophobicContact CB-CG 4.47Å; V2797-L2876 HydrophobicContact CG2-CB 4.09Å; V2797-L2876 HydrophobicContact CG2-CD1 4.42Å; V2797-L2876 PolarHBondContact N-O 2.95Å; V2797-L2876 PolarHBondContact O-N 3.02Å; L2876-F2878 HydrophobicContact CB-CE2 3.97Å |
| 2877 | L | 98.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.7 | 175.3 | -47.7 | -179.7 | 0 | 0 | 0 | 109.2 | L2674 T2718 I2719 L2721 F2742 L2793 V2796 A2874 Y2879 | L2674-L2877 HydrophobicContact CD2-CD1 4.19Å; T2718-L2877 CarbonylContact C-O 3.29Å; T2718-L2877 WeakPolarHBondContact CA-O 3.41Å; I2719-L2877 HydrophobicContact CB-CB 4.3Å; I2719-L2877 PolarHBondContact N-O 2.96Å; I2719-L2877 PolarHBondContact O-N 2.94Å; L2721-L2877 HydrophobicContact CD1-CD1 4.36Å; L2721-L2877 HydrophobicContact CD1-CD2 4.39Å; L2721-L2877 HydrophobicContact CD1-CG 4.45Å; L2721-L2877 HydrophobicContact CD2-CD1 4.13Å; L2721-L2877 HydrophobicContact CG-CD1 4.32Å; L2721-L2877 HydrophobicContact CG-CG 4.34Å; F2742-L2877 HydrophobicContact CB-CD1 3.86Å; F2742-L2877 HydrophobicContact CD1-CD1 3.82Å; F2742-L2877 HydrophobicContact CD1-CD2 4.16Å; F2742-L2877 HydrophobicContact CD2-CD1 3.79Å; F2742-L2877 HydrophobicContact CD2-CD2 4.01Å; F2742-L2877 HydrophobicContact CE1-CD1 4.26Å; F2742-L2877 HydrophobicContact CE1-CD2 3.73Å; F2742-L2877 HydrophobicContact CE2-CD1 4.23Å; F2742-L2877 HydrophobicContact CE2-CD2 3.57Å; F2742-L2877 HydrophobicContact CG-CD1 3.54Å; F2742-L2877 HydrophobicContact CG-CD2 4.27Å; F2742-L2877 HydrophobicContact CZ-CD1 4.43Å; F2742-L2877 HydrophobicContact CZ-CD2 3.39Å; L2793-L2877 HydrophobicContact CD1-CB 4.33Å; V2796-L2877 HydrophobicContact CG1-CD2 4.03Å; V2796-L2877 HydrophobicContact CG2-CD2 4.28Å; A2874-L2877 HydrophobicContact CB-CD2 3.97Å; L2877-Y2879 HydrophobicContact CB-CD2 4.08Å; L2877-Y2879 HydrophobicContact CB-CE2 3.72Å; L2877-Y2879 HydrophobicContact CD1-CE2 3.95Å; L2877-Y2879 HydrophobicContact CG-CE2 4.46Å |
| 2878 | F | 98.4 | Very high | 91.6 | Very high | 10.6 Ų | 10.6 | 41.6 Ų | 41.6 | 5% | 0.046 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 113.9 | 176.2 | -70.6 | -97.2 | 0 | 0 | 0 | 109.2 | Q2473 F2614 L2638 V2716 T2718 R2794 G2795 V2797 L2876 | Q2473-F2878 HydrophobicContact CB-CE1 4.42Å; Q2473-F2878 HydrophobicContact CB-CE2 4.2Å; Q2473-F2878 HydrophobicContact CB-CZ 4.13Å; Q2473-F2878 HydrophobicContact CG-CD2 4.1Å; Q2473-F2878 HydrophobicContact CG-CE2 3.85Å; Q2473-F2878 HydrophobicContact CG-CZ 4.28Å; F2614-F2878 HydrophobicContact CE2-CE1 4.13Å; F2614-F2878 HydrophobicContact CE2-CZ 4.25Å; F2614-F2878 HydrophobicContact CZ-CE1 4.32Å; F2614-F2878 HydrophobicContact CZ-CZ 4.39Å; L2638-F2878 HydrophobicContact CD2-CD1 4.43Å; L2638-F2878 HydrophobicContact CD2-CE1 4.42Å; V2716-F2878 HydrophobicContact CG1-CB 4.43Å; V2716-F2878 HydrophobicContact CG1-CD1 4.15Å; T2718-F2878 HydrophobicContact CG2-CD1 4.31Å; T2718-F2878 HydrophobicContact CG2-CE1 3.86Å; T2718-F2878 HydrophobicContact CG2-CE2 4.28Å; T2718-F2878 HydrophobicContact CG2-CZ 3.84Å; R2794-F2878 WeakPolarHBondContact CA-O 3.38Å; R2794-F2878 WeakPolarHBondContact CB-O 3.15Å; R2794-F2878 PolarHBondContact N-O 3.11Å; G2795-F2878 PolarHBondContact N-O 3.17Å; G2795-F2878 PolarHBondContact O-N 3.03Å; V2797-F2878 HydrophobicContact CG2-CD2 4.46Å; V2797-F2878 HydrophobicContact CG2-CE2 3.81Å; L2876-F2878 HydrophobicContact CB-CE2 3.97Å |
| 2879 | Y | 98.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.1 | -178.8 | -82.8 | -84 | 0 | 0 | 0 | 110.1 | L2674 V2716 L2717 I2719 P2743 L2746 Y2791 N2792 L2793 L2877 | L2674-Y2879 HydrophobicContact CD2-CE2 4.05Å; V2716-Y2879 CarbonylContact C-O 3.37Å; V2716-Y2879 WeakPolarHBondContact CA-O 3.37Å; V2716-Y2879 WeakPolarHBondContact CG1-O 3.43Å; L2717-Y2879 PolarHBondContact N-O 3.28Å; L2717-Y2879 PolarHBondContact O-N 3.19Å; I2719-Y2879 HydrophobicContact CD1-CD2 3.88Å; I2719-Y2879 HydrophobicContact CD1-CE2 3.93Å; I2719-Y2879 HydrophobicContact CG1-CD2 4.34Å; P2743-Y2879 WeakPolarHBondContact O-CE1 3.41Å; P2743-Y2879 PolarHBondContact O-OH 3.1Å; L2746-Y2879 HydrophobicContact CB-CD1 3.99Å; L2746-Y2879 HydrophobicContact CB-CE1 3.74Å; L2746-Y2879 HydrophobicContact CD2-CD1 4.18Å; L2746-Y2879 HydrophobicContact CD2-CD2 4.25Å; L2746-Y2879 HydrophobicContact CD2-CE1 4.06Å; L2746-Y2879 HydrophobicContact CD2-CE2 4.11Å; L2746-Y2879 HydrophobicContact CD2-CG 4.27Å; Y2791-Y2879 WeakPolarHBondContact CD1-O 3.38Å; N2792-Y2879 CarbonylContact O-C 3.45Å; N2792-Y2879 WeakPolarHBondContact O-CA 3.34Å; L2793-Y2879 HydrophobicContact CB-CD1 4.2Å; L2793-Y2879 HydrophobicContact CB-CE1 3.84Å; L2793-Y2879 HydrophobicContact CD1-CD1 4.38Å; L2793-Y2879 HydrophobicContact CD1-CD2 4.3Å; L2793-Y2879 HydrophobicContact CD1-CE1 3.99Å; L2793-Y2879 HydrophobicContact CD1-CE2 3.91Å; L2877-Y2879 HydrophobicContact CB-CD2 4.08Å; L2877-Y2879 HydrophobicContact CB-CE2 3.72Å; L2877-Y2879 HydrophobicContact CD1-CE2 3.95Å; L2877-Y2879 HydrophobicContact CG-CE2 4.46Å |
| 2880 | E | 97.1 | Very high | 92.1 | Very high | 18.8 Ų | 18.8 | 47 Ų | 47 | 9% | 0.088 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.6 | 179.8 | 176.9 | -178.1 | 84.6 | 0 | 0 | 110.5 | Y2791 N2792 R2794 R2813 F2884 H2885 | Y2791-E2880 CarbonylContact C-O 3.48Å; Y2791-E2880 VanDerWaalsContact CA-O 3.26Å; Y2791-E2880 WeakPolarHBondContact CA-O 3.42Å; N2792-E2880 PolarHBondContact N-O 3.04Å; N2792-E2880 PolarHBondContact O-N 3.39Å; R2794-E2880 HydrophobicContact CB-CB 3.92Å; R2794-E2880 VanDerWaalsContact CD-OE2 3.31Å; R2794-E2880 WeakPolarHBondContact CD-OE2 3.28Å; R2794-E2880 HydrophobicContact CG-CB 4.47Å; R2794-E2880 IonicContact CZ-OE2 3.11Å; R2794-E2880 IonicContact NE-OE2 3.36Å; R2794-E2880 IonicContact NH1-OE2 3.17Å; R2794-E2880 PolarHBondContact NH1-OE2 3.4Å; R2813-E2880 IonicContact NH2-OE1 3.44Å; E2880-F2884 HydrophobicContact CG-CB 3.69Å; E2880-F2884 HydrophobicContact CG-CD1 3.86Å; E2880-F2884 HydrophobicContact CG-CD2 4.19Å; E2880-F2884 HydrophobicContact CG-CE1 4.47Å; E2880-F2884 HydrophobicContact CG-CG 3.69Å; E2880-F2884 VanDerWaalsContact OE2-CD1 3.3Å; E2880-F2884 WeakPolarHBondContact OE2-CD1 3.4Å; E2880-F2884 WeakPolarHBondContact OE2-CE1 3.3Å; E2880-H2885 IonicContact OE1-ND1 3.36Å |
| 2881 | R | 96.1 | Very high | 91.5 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 145 | -178.7 | -146 | 167.2 | 73.6 | -175.3 | 11.4 | 111.1 | L2713 P2714 L2715 C2788 K2790 Y2791 D2883 F2884 | L2713-R2881 PolarHBondContact O-NH1 3.09Å; L2713-R2881 VanDerWaalsContact O-NH1 3.09Å; P2714-R2881 WeakPolarHBondContact O-CD 3.39Å; P2714-R2881 PolarHBondContact O-NH1 3.4Å; P2714-R2881 VanDerWaalsContact O-NH1 3.07Å; L2715-R2881 WeakPolarHBondContact O-CB 3.33Å; L2715-R2881 PolarHBondContact O-N 3.04Å; L2715-R2881 VanDerWaalsContact O-N 3.07Å; C2788-R2881 HydrophobicContact CB-CG 4.41Å; C2788-R2881 VanDerWaalsContact O-CD 3.28Å; C2788-R2881 WeakPolarHBondContact O-CD 3.32Å; K2790-R2881 CarbonylContact O-C 3.55Å; K2790-R2881 WeakPolarHBondContact O-CA 3.34Å; K2790-R2881 WeakPolarHBondContact O-CG 3.35Å; Y2791-R2881 HydrophobicContact CD1-CB 3.87Å; Y2791-R2881 HydrophobicContact CD1-CG 4.11Å; Y2791-R2881 VanDerWaalsContact CD1-N 3.33Å; Y2791-R2881 HydrophobicContact CD2-CG 4.36Å; Y2791-R2881 HydrophobicContact CE1-CB 3.62Å; Y2791-R2881 HydrophobicContact CE1-CG 3.73Å; Y2791-R2881 HydrophobicContact CE2-CG 4Å; Y2791-R2881 HydrophobicContact CG-CG 4.41Å; Y2791-R2881 WeakPolarHBondContact OH-CD 3.32Å; R2881-D2883 WeakPolarHBondContact CB-OD1 3.36Å; R2881-D2883 WeakPolarHBondContact CG-OD1 3.35Å; R2881-D2883 IonicContact CZ-OD1 3.14Å; R2881-D2883 IonicContact CZ-OD2 3.36Å; R2881-D2883 IonicContact NE-OD1 3.02Å; R2881-D2883 PolarHBondContact NE-OD1 3.15Å; R2881-D2883 IonicContact NE-OD2 3.16Å; R2881-D2883 IonicContact NH2-OD1 3.61Å; R2881-D2883 PolarHBondContact NH2-OD1 3.36Å; R2881-D2883 IonicContact NH2-OD2 3.28Å; R2881-D2883 PolarHBondContact NH2-OD2 2.99Å; R2881-D2883 PolarHBondContact O-N 3.04Å; R2881-D2883 VanDerWaalsContact O-N 3.16Å; R2881-F2884 WeakPolarHBondContact O-CB 3.39Å; R2881-F2884 PolarHBondContact O-N 3.14Å |
| 2882 | E | 94.2 | Very high | 90.4 | Very high | 104.8 Ų | 104.8 | 46.9 Ų | 46.9 | 49% | 0.49 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.4 | -174.2 | -74.7 | -175.5 | 161.6 | 0 | 0 | 113.8 | K2790 N2792 F2884 | K2790-E2882 VanDerWaalsContact CB-CD 3.49Å; K2790-E2882 HydrophobicContact CB-CG 3.91Å; K2790-E2882 VanDerWaalsContact CB-OE2 3.29Å; K2790-E2882 WeakPolarHBondContact CB-OE2 3.42Å; K2790-E2882 VanDerWaalsContact CD-OE2 3.25Å; K2790-E2882 WeakPolarHBondContact CD-OE2 3.42Å; K2790-E2882 PolarHBondContact O-N 3.16Å; N2792-E2882 VanDerWaalsContact ND2-CG 3.34Å; N2792-E2882 WeakPolarHBondContact ND2-CG 3.39Å; E2882-F2884 VanDerWaalsContact C-N 3.34Å |
| 2883 | D | 93.5 | Very high | 88.9 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 7 | 176.7 | 69.3 | -28 | 0 | 0 | 0 | 114.1 | C2788 R2881 H2885 E2886 Q2887 | C2788-D2883 HydrophobicContact CB-CB 4.04Å; C2788-D2883 VanDerWaalsContact CB-CG 3.49Å; R2881-D2883 WeakPolarHBondContact CB-OD1 3.36Å; R2881-D2883 WeakPolarHBondContact CG-OD1 3.35Å; R2881-D2883 IonicContact CZ-OD1 3.14Å; R2881-D2883 IonicContact CZ-OD2 3.36Å; R2881-D2883 IonicContact NE-OD1 3.02Å; R2881-D2883 PolarHBondContact NE-OD1 3.15Å; R2881-D2883 IonicContact NE-OD2 3.16Å; R2881-D2883 IonicContact NH2-OD1 3.61Å; R2881-D2883 PolarHBondContact NH2-OD1 3.36Å; R2881-D2883 IonicContact NH2-OD2 3.28Å; R2881-D2883 PolarHBondContact NH2-OD2 2.99Å; R2881-D2883 PolarHBondContact O-N 3.04Å; R2881-D2883 VanDerWaalsContact O-N 3.16Å; D2883-H2885 VanDerWaalsContact C-N 3.32Å; D2883-H2885 PolarHBondContact O-N 2.99Å; D2883-H2885 VanDerWaalsContact O-N 3.17Å; D2883-E2886 WeakPolarHBondContact O-CA 3.32Å; D2883-E2886 WeakPolarHBondContact O-CB 3.34Å; D2883-E2886 PolarHBondContact O-N 3.17Å; D2883-Q2887 HydrophobicContact CB-CG 4.31Å; D2883-Q2887 WeakPolarHBondContact O-CG 3.41Å; D2883-Q2887 PolarHBondContact O-N 3.28Å; D2883-Q2887 WeakPolarHBondContact OD2-CG 3.3Å; D2883-Q2887 PolarHBondContact OD2-NE2 3.25Å |
| 2884 | F | 91.5 | Very high | 87 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -47.9 | -49.8 | -175.9 | 176.2 | -104.9 | 0 | 0 | 0 | 113.1 | L2477 P2479 V2637 L2715 V2716 E2880 R2881 E2882 E2886 Q2887 I2888 | L2477-F2884 HydrophobicContact CD2-CZ 4.29Å; P2479-F2884 HydrophobicContact CG-CE2 4.35Å; P2479-F2884 HydrophobicContact CG-CZ 4.21Å; V2637-F2884 HydrophobicContact CG1-CE2 4.35Å; L2715-F2884 HydrophobicContact CB-CD2 4.06Å; L2715-F2884 HydrophobicContact CB-CE2 4.41Å; V2716-F2884 HydrophobicContact CG2-CD2 4.05Å; V2716-F2884 HydrophobicContact CG2-CE2 3.62Å; V2716-F2884 HydrophobicContact CG2-CZ 4.35Å; E2880-F2884 HydrophobicContact CG-CB 3.69Å; E2880-F2884 HydrophobicContact CG-CD1 3.86Å; E2880-F2884 HydrophobicContact CG-CD2 4.19Å; E2880-F2884 HydrophobicContact CG-CE1 4.47Å; E2880-F2884 HydrophobicContact CG-CG 3.69Å; E2880-F2884 VanDerWaalsContact OE2-CD1 3.3Å; E2880-F2884 WeakPolarHBondContact OE2-CD1 3.4Å; E2880-F2884 WeakPolarHBondContact OE2-CE1 3.3Å; R2881-F2884 WeakPolarHBondContact O-CB 3.39Å; R2881-F2884 PolarHBondContact O-N 3.14Å; E2882-F2884 VanDerWaalsContact C-N 3.34Å; F2884-E2886 VanDerWaalsContact C-N 3.27Å; F2884-E2886 PolarHBondContact O-N 3.24Å; F2884-Q2887 PolarHBondContact O-N 3.08Å; F2884-I2888 HydrophobicContact CD1-CD1 3.66Å; F2884-I2888 HydrophobicContact CD2-CD1 4.05Å; F2884-I2888 HydrophobicContact CD2-CG1 4.38Å; F2884-I2888 HydrophobicContact CE1-CD1 3.34Å; F2884-I2888 HydrophobicContact CE1-CG1 4.4Å; F2884-I2888 HydrophobicContact CE2-CD1 3.74Å; F2884-I2888 HydrophobicContact CE2-CG1 4.28Å; F2884-I2888 HydrophobicContact CG-CD1 4.02Å; F2884-I2888 HydrophobicContact CZ-CD1 3.39Å; F2884-I2888 VanDerWaalsContact CZ-CD1 3.47Å; F2884-I2888 HydrophobicContact CZ-CG1 4.33Å; F2884-I2888 WeakPolarHBondContact O-CB 3.48Å; F2884-I2888 WeakPolarHBondContact O-CD1 3.38Å; F2884-I2888 VanDerWaalsContact O-CG1 3.23Å; F2884-I2888 WeakPolarHBondContact O-CG1 3.44Å; F2884-I2888 PolarHBondContact O-N 2.99Å |
| 2885 | H | 86.5 | Confident | 84.7 | Confident | 101.6 Ų | 101.6 | 56.2 Ų | 56.2 | 47% | 0.47 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.5 | -15.5 | -179.9 | -74 | -33.2 | 0 | 0 | 0 | 114.7 | E2880 D2883 K2889 | E2880-H2885 IonicContact OE1-ND1 3.36Å; D2883-H2885 VanDerWaalsContact C-N 3.32Å; D2883-H2885 PolarHBondContact O-N 2.99Å; D2883-H2885 VanDerWaalsContact O-N 3.17Å; H2885-K2889 WeakPolarHBondContact O-CD 3.31Å; H2885-K2889 VanDerWaalsContact O-CE 3.26Å; H2885-K2889 WeakPolarHBondContact O-CE 3.27Å; H2885-K2889 WeakPolarHBondContact O-CG 3.32Å |
| 2886 | E | 87.4 | Confident | 82.3 | Confident | 131.2 Ų | 131.2 | 59.3 Ų | 59.3 | 61% | 0.613 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -87 | -47.6 | 174.2 | -58.6 | -171.3 | 155.8 | 0 | 0 | 109.6 | D2883 F2884 I2888 K2889 N2890 | D2883-E2886 WeakPolarHBondContact O-CA 3.32Å; D2883-E2886 WeakPolarHBondContact O-CB 3.34Å; D2883-E2886 PolarHBondContact O-N 3.17Å; F2884-E2886 VanDerWaalsContact C-N 3.27Å; F2884-E2886 PolarHBondContact O-N 3.24Å; E2886-I2888 VanDerWaalsContact C-N 3.31Å; E2886-I2888 PolarHBondContact O-N 3.25Å; E2886-K2889 VanDerWaalsContact O-CB 3.31Å; E2886-K2889 WeakPolarHBondContact O-CB 3.44Å; E2886-K2889 PolarHBondContact O-N 3Å; E2886-K2889 VanDerWaalsContact O-N 3.13Å; E2886-N2890 PolarHBondContact O-N 3.35Å |
| 2887 | Q | 86.7 | Confident | 79.4 | Confident | 65.8 Ų | 65.8 | 61.6 Ų | 61.6 | 31% | 0.307 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 177.7 | -61.8 | -65.3 | -8.2 | 0 | 0 | 113 | L2715 D2883 F2884 K2889 N2890 I2891 | L2715-Q2887 HydrophobicContact CD1-CB 4.26Å; L2715-Q2887 HydrophobicContact CD2-CB 3.63Å; L2715-Q2887 HydrophobicContact CD2-CG 3.75Å; D2883-Q2887 HydrophobicContact CB-CG 4.31Å; D2883-Q2887 WeakPolarHBondContact O-CG 3.41Å; D2883-Q2887 PolarHBondContact O-N 3.28Å; D2883-Q2887 WeakPolarHBondContact OD2-CG 3.3Å; D2883-Q2887 PolarHBondContact OD2-NE2 3.25Å; F2884-Q2887 PolarHBondContact O-N 3.08Å; Q2887-K2889 VanDerWaalsContact C-N 3.27Å; Q2887-K2889 PolarHBondContact O-N 2.92Å; Q2887-K2889 VanDerWaalsContact O-N 3.16Å; Q2887-N2890 WeakPolarHBondContact O-CA 3.37Å; Q2887-N2890 WeakPolarHBondContact O-CB 3.34Å; Q2887-N2890 PolarHBondContact O-N 3.23Å; Q2887-N2890 VanDerWaalsContact O-N 3.09Å; Q2887-N2890 PolarHBondContact OE1-ND2 3.14Å; Q2887-I2891 WeakPolarHBondContact O-CG1 3.28Å; Q2887-I2891 PolarHBondContact O-N 3.1Å |
| 2888 | I | 82.6 | Confident | 76.5 | Confident | 38.4 Ų | 38.4 | 68.9 Ų | 68.9 | 20% | 0.197 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.4 | -33.9 | 177.1 | -74.2 | 171.5 | 0 | 0 | 0 | 112.5 | P2479 F2884 E2886 N2890 I2891 S2892 | P2479-I2888 HydrophobicContact CB-CG1 4.46Å; P2479-I2888 HydrophobicContact CG-CB 4.46Å; P2479-I2888 HydrophobicContact CG-CD1 3.74Å; P2479-I2888 VanDerWaalsContact CG-CD1 3.41Å; P2479-I2888 HydrophobicContact CG-CG1 3.71Å; P2479-I2888 HydrophobicContact CG-CG2 4.14Å; F2884-I2888 HydrophobicContact CD1-CD1 3.66Å; F2884-I2888 HydrophobicContact CD2-CD1 4.05Å; F2884-I2888 HydrophobicContact CD2-CG1 4.38Å; F2884-I2888 HydrophobicContact CE1-CD1 3.34Å; F2884-I2888 HydrophobicContact CE1-CG1 4.4Å; F2884-I2888 HydrophobicContact CE2-CD1 3.74Å; F2884-I2888 HydrophobicContact CE2-CG1 4.28Å; F2884-I2888 HydrophobicContact CG-CD1 4.02Å; F2884-I2888 HydrophobicContact CZ-CD1 3.39Å; F2884-I2888 VanDerWaalsContact CZ-CD1 3.47Å; F2884-I2888 HydrophobicContact CZ-CG1 4.33Å; F2884-I2888 WeakPolarHBondContact O-CB 3.48Å; F2884-I2888 WeakPolarHBondContact O-CD1 3.38Å; F2884-I2888 VanDerWaalsContact O-CG1 3.23Å; F2884-I2888 WeakPolarHBondContact O-CG1 3.44Å; F2884-I2888 PolarHBondContact O-N 2.99Å; E2886-I2888 VanDerWaalsContact C-N 3.31Å; E2886-I2888 PolarHBondContact O-N 3.25Å; I2888-N2890 VanDerWaalsContact C-N 3.27Å; I2888-N2890 PolarHBondContact O-N 3.19Å; I2888-I2891 HydrophobicContact CG1-CD1 4.33Å; I2888-I2891 PolarHBondContact O-N 3.15Å; I2888-I2891 VanDerWaalsContact O-N 3.08Å; I2888-S2892 PolarHBondContact O-N 3.32Å; I2888-S2892 PolarHBondContact O-OG 3.37Å |
| 2889 | K | 81.3 | Confident | 73.6 | Confident | 149.8 Ų | 149.8 | 73.8 Ų | 73.8 | 65% | 0.651 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67 | -26.5 | 178.2 | -62.1 | 168.4 | -173.2 | 162.9 | 0 | 112 | H2885 E2886 Q2887 S2892 | H2885-K2889 WeakPolarHBondContact O-CD 3.31Å; H2885-K2889 VanDerWaalsContact O-CE 3.26Å; H2885-K2889 WeakPolarHBondContact O-CE 3.27Å; H2885-K2889 WeakPolarHBondContact O-CG 3.32Å; E2886-K2889 VanDerWaalsContact O-CB 3.31Å; E2886-K2889 WeakPolarHBondContact O-CB 3.44Å; E2886-K2889 PolarHBondContact O-N 3Å; E2886-K2889 VanDerWaalsContact O-N 3.13Å; Q2887-K2889 VanDerWaalsContact C-N 3.27Å; Q2887-K2889 PolarHBondContact O-N 2.92Å; Q2887-K2889 VanDerWaalsContact O-N 3.16Å; K2889-S2892 WeakPolarHBondContact O-CB 3.32Å |
| 2890 | N | 79.1 | Confident | 70.9 | Confident | 119.4 Ų | 119.4 | 79.4 Ų | 79.4 | 64% | 0.639 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -83.8 | -22.7 | 178.2 | -58 | -18.8 | 0 | 0 | 0 | 112 | E2886 Q2887 I2888 S2892 | E2886-N2890 PolarHBondContact O-N 3.35Å; Q2887-N2890 WeakPolarHBondContact O-CA 3.37Å; Q2887-N2890 WeakPolarHBondContact O-CB 3.34Å; Q2887-N2890 PolarHBondContact O-N 3.23Å; Q2887-N2890 VanDerWaalsContact O-N 3.09Å; Q2887-N2890 PolarHBondContact OE1-ND2 3.14Å; I2888-N2890 VanDerWaalsContact C-N 3.27Å; I2888-N2890 PolarHBondContact O-N 3.19Å; N2890-S2892 VanDerWaalsContact C-N 3.31Å; N2890-S2892 PolarHBondContact O-N 2.96Å; N2890-S2892 VanDerWaalsContact O-N 3.08Å |
| 2891 | I | 77.3 | Confident | 68.3 | Low | 33 Ų | 33 | 87.1 Ų | 87.1 | 17% | 0.169 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -72 | 108.1 | 174.4 | -54.2 | 171.7 | 0 | 0 | 0 | 109.1 | P2479 I2633 V2636 L2715 Q2887 I2888 I2893 | P2479-I2891 HydrophobicContact CB-CD1 4.5Å; I2633-I2891 HydrophobicContact CD1-CG2 4.29Å; V2636-I2891 HydrophobicContact CG1-CD1 3.9Å; V2636-I2891 HydrophobicContact CG1-CG1 4.34Å; V2636-I2891 HydrophobicContact CG1-CG2 4.34Å; L2715-I2891 HydrophobicContact CD1-CD1 3.72Å; Q2887-I2891 WeakPolarHBondContact O-CG1 3.28Å; Q2887-I2891 PolarHBondContact O-N 3.1Å; I2888-I2891 HydrophobicContact CG1-CD1 4.33Å; I2888-I2891 PolarHBondContact O-N 3.15Å; I2888-I2891 VanDerWaalsContact O-N 3.08Å; I2891-I2893 VanDerWaalsContact C-N 3.28Å; I2891-I2893 HydrophobicContact CB-CD1 4.18Å; I2891-I2893 HydrophobicContact CB-CG1 3.93Å; I2891-I2893 HydrophobicContact CD1-CD1 4.4Å; I2891-I2893 HydrophobicContact CG2-CD1 3.96Å; I2891-I2893 HydrophobicContact CG2-CG1 3.62Å; I2891-I2893 VanDerWaalsContact CG2-CG1 3.42Å; I2891-I2893 WeakPolarHBondContact O-CA 3.47Å; I2891-I2893 PolarHBondContact O-N 3.2Å |
| 2892 | S | 65.2 | Low | 65.7 | Low | 104 Ų | 104 | 91.8 Ų | 91.8 | 73% | 0.727 | 48% | 0.481 | S | S | * | . | trans | -70.5 | 73 | 178.5 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | I2888 K2889 N2890 P2894 | I2888-S2892 PolarHBondContact O-N 3.32Å; I2888-S2892 PolarHBondContact O-OG 3.37Å; K2889-S2892 WeakPolarHBondContact O-CB 3.32Å; N2890-S2892 VanDerWaalsContact C-N 3.31Å; N2890-S2892 PolarHBondContact O-N 2.96Å; N2890-S2892 VanDerWaalsContact O-N 3.08Å; S2892-P2894 WeakPolarHBondContact O-CD 3.27Å | ||
| 2893 | I | 64.3 | Low | 63.5 | Low | 42.8 Ų | 42.8 | 90 Ų | 90 | 22% | 0.219 | 48% | 0.479 | C | S | . | . | trans | -73.4 | 128.8 | 176.8 | -51.8 | 176.4 | 0 | 0 | 0 | 108.5 | P2479 D2482 C2483 I2633 I2891 Q2895 L2896 | P2479-I2893 HydrophobicContact CB-CD1 3.55Å; P2479-I2893 VanDerWaalsContact CB-CD1 3.46Å; P2479-I2893 HydrophobicContact CG-CD1 4.38Å; D2482-I2893 HydrophobicContact CB-CG2 4.36Å; C2483-I2893 HydrophobicContact CB-CG2 4.17Å; I2633-I2893 HydrophobicContact CD1-CD1 3.9Å; I2633-I2893 HydrophobicContact CD1-CG1 4.28Å; I2891-I2893 VanDerWaalsContact C-N 3.28Å; I2891-I2893 HydrophobicContact CB-CD1 4.18Å; I2891-I2893 HydrophobicContact CB-CG1 3.93Å; I2891-I2893 HydrophobicContact CD1-CD1 4.4Å; I2891-I2893 HydrophobicContact CG2-CD1 3.96Å; I2891-I2893 HydrophobicContact CG2-CG1 3.62Å; I2891-I2893 VanDerWaalsContact CG2-CG1 3.42Å; I2891-I2893 WeakPolarHBondContact O-CA 3.47Å; I2891-I2893 PolarHBondContact O-N 3.2Å; I2893-Q2895 VanDerWaalsContact C-N 3.29Å; I2893-Q2895 HydrophobicContact CG2-CB 4.36Å; I2893-Q2895 PolarHBondContact O-N 3.36Å; I2893-L2896 HydrophobicContact CB-CD1 4.2Å; I2893-L2896 HydrophobicContact CD1-CD1 3.91Å; I2893-L2896 HydrophobicContact CG2-CB 4.19Å; I2893-L2896 HydrophobicContact CG2-CD1 3.93Å; I2893-L2896 HydrophobicContact CG2-CG 3.93Å | ||
| 2894 | P | 55.9 | Low | 61.9 | Low | 64.2 Ų | 64.2 | 96.9 Ų | 96.9 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | trans | -61.5 | 82.9 | 171.5 | -21.5 | 34.2 | 0 | 0 | 0 | 110.8 | L2630 S2892 L2896 S2903 R2904 | L2630-P2894 HydrophobicContact CD2-CG 3.74Å; S2892-P2894 WeakPolarHBondContact O-CD 3.27Å; P2894-L2896 PolarHBondContact O-N 3.09Å; P2894-L2896 VanDerWaalsContact O-N 3.12Å; P2894-S2903 PolarHBondContact O-OG 3.42Å; P2894-S2903 VanDerWaalsContact O-OG 3.07Å; P2894-R2904 VanDerWaalsContact CB-NH1 3.34Å | ||
| 2895 | Q | 48.5 | Very low | 61 | Low | 143 Ų | 143 | 97.9 Ų | 97.9 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | trans | -62.6 | 101.1 | -176.3 | -68.5 | -179.1 | -9 | 0 | 0 | 111.2 | I2893 G2897 S2903 | I2893-Q2895 VanDerWaalsContact C-N 3.29Å; I2893-Q2895 HydrophobicContact CG2-CB 4.36Å; I2893-Q2895 PolarHBondContact O-N 3.36Å; Q2895-G2897 VanDerWaalsContact C-N 3.31Å; Q2895-G2897 WeakPolarHBondContact O-CA 3.31Å; Q2895-G2897 PolarHBondContact O-N 3.14Å; Q2895-S2903 WeakPolarHBondContact O-CB 3.21Å; Q2895-S2903 PolarHBondContact O-OG 3.45Å | ||
| 2896 | L | 46.8 | Very low | 60.8 | Low | 66.8 Ų | 66.8 | 94.8 Ų | 94.8 | 35% | 0.35 | 50% | 0.498 | S | S | . | . | trans | -70.6 | 86.9 | 169.2 | -82.8 | 118.9 | 0 | 0 | 0 | 109.1 | D2482 L2485 L2630 I2893 P2894 L2898 R2904 | D2482-L2896 HydrophobicContact CB-CD1 3.65Å; D2482-L2896 VanDerWaalsContact CG-CD1 3.5Å; L2485-L2896 HydrophobicContact CB-CD1 4.22Å; L2485-L2896 HydrophobicContact CB-CD2 4.22Å; L2485-L2896 HydrophobicContact CD1-CD2 4.45Å; L2630-L2896 HydrophobicContact CD2-CD1 3.86Å; L2630-L2896 HydrophobicContact CD2-CD2 4.16Å; L2630-L2896 HydrophobicContact CD2-CG 4.09Å; I2893-L2896 HydrophobicContact CB-CD1 4.2Å; I2893-L2896 HydrophobicContact CD1-CD1 3.91Å; I2893-L2896 HydrophobicContact CG2-CB 4.19Å; I2893-L2896 HydrophobicContact CG2-CD1 3.93Å; I2893-L2896 HydrophobicContact CG2-CG 3.93Å; P2894-L2896 PolarHBondContact O-N 3.09Å; P2894-L2896 VanDerWaalsContact O-N 3.12Å; L2896-L2898 HydrophobicContact CB-CB 4.44Å; L2896-L2898 HydrophobicContact CB-CD1 4.31Å; L2896-L2898 HydrophobicContact CB-CG 4.32Å; L2896-L2898 HydrophobicContact CD1-CD1 4.36Å; L2896-L2898 HydrophobicContact CD2-CD1 4.33Å; L2896-L2898 PolarHBondContact O-N 3.02Å; L2896-R2904 HydrophobicContact CD2-CB 4.46Å; L2896-R2904 HydrophobicContact CG-CB 4.29Å | ||
| 2897 | G | 38 | Very low | 60.6 | Low | 49 Ų | 49 | 94.8 Ų | 94.8 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | trans | 108.4 | 121.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q2895 N2899 | Q2895-G2897 VanDerWaalsContact C-N 3.31Å; Q2895-G2897 WeakPolarHBondContact O-CA 3.31Å; Q2895-G2897 PolarHBondContact O-N 3.14Å; G2897-N2899 CarbonylContact O-C 3.36Å; G2897-N2899 PolarHBondContact O-N 3.25Å | ||
| 2898 | L | 37.4 | Very low | 60.7 | Low | 154.2 Ų | 154.2 | 95 Ų | 95 | 81% | 0.807 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -45.5 | 40.2 | 170.9 | -72.2 | 159.2 | 0 | 0 | 0 | 115.3 | L2896 Q2902 | L2896-L2898 HydrophobicContact CB-CB 4.44Å; L2896-L2898 HydrophobicContact CB-CD1 4.31Å; L2896-L2898 HydrophobicContact CB-CG 4.32Å; L2896-L2898 HydrophobicContact CD1-CD1 4.36Å; L2896-L2898 HydrophobicContact CD2-CD1 4.33Å; L2896-L2898 PolarHBondContact O-N 3.02Å; L2898-Q2902 PolarHBondContact O-OE1 3.44Å |
| 2899 | N | 37.8 | Very low | 60.9 | Low | 113.2 Ų | 113.2 | 93.8 Ų | 93.8 | 61% | 0.605 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -126.5 | 129.1 | 157.2 | -96.5 | -42.6 | 0 | 0 | 0 | 110.3 | G2897 K2901 Q2902 | G2897-N2899 CarbonylContact O-C 3.36Å; G2897-N2899 PolarHBondContact O-N 3.25Å; N2899-K2901 PolarHBondContact O-N 3.14Å; N2899-Q2902 HydrophobicContact CB-CG 4.19Å; N2899-Q2902 WeakPolarHBondContact O-CB 3.2Å; N2899-Q2902 PolarHBondContact O-N 3.06Å |
| 2900 | P | 42.2 | Very low | 61.1 | Low | 117.6 Ų | 117.6 | 88.9 Ų | 88.9 | 76% | 0.764 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 18.4 | -169.9 | 28.9 | -33.3 | 0 | 0 | 0 | 113.9 | ||
| 2901 | K | 41.3 | Very low | 61.5 | Low | 179.8 Ų | 179.8 | 86.1 Ų | 86.1 | 78% | 0.782 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 5.6 | 164.2 | -65 | -176 | 177 | -177.3 | 0 | 113.4 | N2899 | N2899-K2901 PolarHBondContact O-N 3.14Š|
| 2902 | Q | 41.7 | Very low | 62 | Low | 125 Ų | 125 | 87.4 Ų | 87.4 | 58% | 0.584 | 46% | 0.459 | S | S | * | . | trans | -118.1 | 75.2 | 175.5 | -71.2 | 178.9 | -19.8 | 0 | 0 | 112.6 | L2898 N2899 R2904 | L2898-Q2902 PolarHBondContact O-OE1 3.44Å; N2899-Q2902 HydrophobicContact CB-CG 4.19Å; N2899-Q2902 WeakPolarHBondContact O-CB 3.2Å; N2899-Q2902 PolarHBondContact O-N 3.06Å; Q2902-R2904 HydrophobicContact CB-CG 3.95Å; Q2902-R2904 VanDerWaalsContact CD-CZ 3.47Å; Q2902-R2904 VanDerWaalsContact CD-NH2 3.29Å; Q2902-R2904 WeakPolarHBondContact O-CG 3.26Å; Q2902-R2904 PolarHBondContact O-N 3.12Å; Q2902-R2904 VanDerWaalsContact OE1-NH1 3.15Å | ||
| 2903 | S | 47.9 | Very low | 63 | Low | 65.6 Ų | 65.6 | 82.9 Ų | 82.9 | 46% | 0.459 | 43% | 0.428 | S | S | . | . | trans | -64.8 | 102.3 | 164.3 | 97.7 | 0 | 0 | 0 | 0 | 109.8 | Y2580 P2894 Q2895 L2905 | Y2580-S2903 WeakPolarHBondContact CE1-OG 3.37Å; Y2580-S2903 WeakPolarHBondContact OH-CB 3.47Å; Y2580-S2903 PolarHBondContact OH-OG 3Å; Y2580-S2903 VanDerWaalsContact OH-OG 3.13Å; P2894-S2903 PolarHBondContact O-OG 3.42Å; P2894-S2903 VanDerWaalsContact O-OG 3.07Å; Q2895-S2903 WeakPolarHBondContact O-CB 3.21Å; Q2895-S2903 PolarHBondContact O-OG 3.45Å; S2903-L2905 PolarHBondContact O-N 2.95Å; S2903-L2905 WeakPolarHBondContact OG-CB 3.34Å; S2903-L2905 PolarHBondContact OG-N 2.8Å; S2903-L2905 PolarHBondContact OG-O 2.64Å; S2903-L2905 VanDerWaalsContact OG-O 3.09Å | ||
| 2904 | R | 60.5 | Low | 64.2 | Low | 162.6 Ų | 162.6 | 83.1 Ų | 83.1 | 61% | 0.614 | 43% | 0.429 | S | S | * | . | trans | -86.6 | 84.8 | 176.3 | -71.4 | 178.4 | 171.3 | 175.6 | -5.6 | 110 | L2485 P2894 L2896 Q2902 T2906 | L2485-R2904 CarbonylContact C-O 3.5Å; L2485-R2904 VanDerWaalsContact O-O 3.08Å; P2894-R2904 VanDerWaalsContact CB-NH1 3.34Å; L2896-R2904 HydrophobicContact CD2-CB 4.46Å; L2896-R2904 HydrophobicContact CG-CB 4.29Å; Q2902-R2904 HydrophobicContact CB-CG 3.95Å; Q2902-R2904 VanDerWaalsContact CD-CZ 3.47Å; Q2902-R2904 VanDerWaalsContact CD-NH2 3.29Å; Q2902-R2904 WeakPolarHBondContact O-CG 3.26Å; Q2902-R2904 PolarHBondContact O-N 3.12Å; Q2902-R2904 VanDerWaalsContact OE1-NH1 3.15Å; R2904-T2906 PolarHBondContact O-N 3.4Å | ||
| 2905 | L | 73.2 | Confident | 65.7 | Low | 28.2 Ų | 28.2 | 84.8 Ų | 84.8 | 15% | 0.148 | 43% | 0.427 | C | S | . | . | trans | -68.2 | 138 | 163.8 | -152.9 | 68.3 | 0 | 0 | 0 | 108.8 | F2350 L2485 Y2580 S2903 K2907 V2909 Q2910 V2913 | F2350-L2905 HydrophobicContact CE2-CD2 3.49Å; F2350-L2905 VanDerWaalsContact CE2-CD2 3.49Å; F2350-L2905 HydrophobicContact CZ-CD2 3.4Å; L2485-L2905 HydrophobicContact CB-CD1 4.46Å; L2485-L2905 HydrophobicContact CD1-CD1 4.35Å; L2485-L2905 HydrophobicContact CD2-CD1 3.71Å; L2485-L2905 HydrophobicContact CG-CD1 4.37Å; Y2580-L2905 HydrophobicContact CD2-CD1 4.18Å; Y2580-L2905 HydrophobicContact CD2-CD2 3.72Å; Y2580-L2905 HydrophobicContact CE2-CB 4.42Å; Y2580-L2905 HydrophobicContact CE2-CD1 4.14Å; Y2580-L2905 HydrophobicContact CE2-CD2 3.93Å; Y2580-L2905 HydrophobicContact CE2-CG 4.43Å; Y2580-L2905 HydrophobicContact CG-CD2 4.39Å; S2903-L2905 PolarHBondContact O-N 2.95Å; S2903-L2905 WeakPolarHBondContact OG-CB 3.34Å; S2903-L2905 PolarHBondContact OG-N 2.8Å; S2903-L2905 PolarHBondContact OG-O 2.64Å; S2903-L2905 VanDerWaalsContact OG-O 3.09Å; L2905-K2907 PolarHBondContact O-N 3.1Å; L2905-V2909 HydrophobicContact CB-CB 4.31Å; L2905-V2909 HydrophobicContact CD1-CB 3.97Å; L2905-V2909 HydrophobicContact CD1-CG1 3.76Å; L2905-V2909 HydrophobicContact CD2-CB 4.26Å; L2905-V2909 HydrophobicContact CD2-CG1 3.95Å; L2905-V2909 VanDerWaalsContact CD2-CG1 3.46Å; L2905-V2909 HydrophobicContact CG-CB 4.04Å; L2905-V2909 HydrophobicContact CG-CG1 4.15Å; L2905-Q2910 HydrophobicContact CB-CB 4.39Å; L2905-Q2910 HydrophobicContact CD2-CB 3.95Å; L2905-Q2910 HydrophobicContact CD2-CG 4.48Å; L2905-Q2910 HydrophobicContact CG-CB 4.32Å; L2905-V2913 HydrophobicContact CD2-CG2 4.49Å | ||
| 2906 | T | 82 | Confident | 67.5 | Low | 37.6 Ų | 37.6 | 80 Ų | 80 | 23% | 0.231 | 41% | 0.405 | C | S | . | . | trans | -56.1 | 143.3 | 174.4 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | A2487 Q2572 R2904 R2908 V2909 Q2910 | A2487-T2906 WeakPolarHBondContact O-CG2 3.19Å; Q2572-T2906 PolarHBondContact OE1-OG1 3.16Å; R2904-T2906 PolarHBondContact O-N 3.4Å; T2906-R2908 VanDerWaalsContact C-N 3.3Å; T2906-R2908 CarbonylContact O-C 3.46Å; T2906-R2908 PolarHBondContact O-N 3.16Å; T2906-R2908 VanDerWaalsContact O-N 3.14Å; T2906-V2909 PolarHBondContact O-N 2.92Å; T2906-V2909 VanDerWaalsContact O-N 3.11Å; T2906-V2909 WeakPolarHBondContact OG1-CG2 3.33Å; T2906-V2909 PolarHBondContact OG1-N 3.02Å; T2906-Q2910 WeakPolarHBondContact O-CB 3.49Å; T2906-Q2910 PolarHBondContact O-N 3.12Å | ||
| 2907 | K | 83.5 | Confident | 69.5 | Low | 130.2 Ų | 130.2 | 77.9 Ų | 77.9 | 57% | 0.566 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -51.5 | -42.4 | -176.6 | -175.6 | -175.1 | 173.4 | -169.5 | 0 | 111.3 | H2339 Y2342 L2905 V2909 Q2910 D2911 | H2339-K2907 PolarHBondContact O-NZ 3.37Å; Y2342-K2907 PolarHBondContact O-NZ 2.8Å; L2905-K2907 PolarHBondContact O-N 3.1Å; K2907-V2909 VanDerWaalsContact C-N 3.34Å; K2907-V2909 PolarHBondContact O-N 3.28Å; K2907-Q2910 WeakPolarHBondContact O-CB 3.4Å; K2907-Q2910 PolarHBondContact O-N 3.29Å; K2907-Q2910 VanDerWaalsContact O-N 3.17Å; K2907-D2911 WeakPolarHBondContact CE-OD2 3.34Å; K2907-D2911 WeakPolarHBondContact CG-OD2 3.44Å; K2907-D2911 IonicContact NZ-OD2 3.94Å; K2907-D2911 WeakPolarHBondContact O-CB 3.29Å; K2907-D2911 VanDerWaalsContact O-CG 3.28Å; K2907-D2911 PolarHBondContact O-N 3.03Å |
| 2908 | R | 87.5 | Confident | 71.8 | Confident | 70.6 Ų | 70.6 | 77.8 Ų | 77.8 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -52.4 | -54 | 174.4 | -178.8 | -171.2 | 78.3 | 100.8 | -7 | 112.9 | E2490 Y2569 T2573 T2906 Q2910 D2911 I2912 | E2490-R2908 IonicContact OE1-CZ 2.95Å; E2490-R2908 IonicContact OE1-NE 2.73Å; E2490-R2908 PolarHBondContact OE1-NE 3.17Å; E2490-R2908 IonicContact OE1-NH2 3.03Å; E2490-R2908 PolarHBondContact OE1-NH2 2.91Å; E2490-R2908 VanDerWaalsContact OE1-NH2 3.13Å; E2490-R2908 WeakPolarHBondContact OE2-CB 2.98Å; E2490-R2908 IonicContact OE2-NE 2.63Å; Y2569-R2908 VanDerWaalsContact CE2-CD 3.49Å; Y2569-R2908 VanDerWaalsContact CZ-CZ 3.47Å; Y2569-R2908 PolarHBondContact O-NH2 3.34Å; Y2569-R2908 WeakPolarHBondContact OH-CD 3.17Å; Y2569-R2908 PolarHBondContact OH-NH1 2.83Å; T2573-R2908 PolarHBondContact OG1-NH1 2.88Å; T2906-R2908 VanDerWaalsContact C-N 3.3Å; T2906-R2908 CarbonylContact O-C 3.46Å; T2906-R2908 PolarHBondContact O-N 3.16Å; T2906-R2908 VanDerWaalsContact O-N 3.14Å; R2908-Q2910 VanDerWaalsContact C-N 3.32Å; R2908-Q2910 PolarHBondContact O-N 3.27Å; R2908-D2911 PolarHBondContact O-N 3.05Å; R2908-I2912 HydrophobicContact CG-CD1 3.92Å; R2908-I2912 WeakPolarHBondContact O-CD1 3.49Å; R2908-I2912 VanDerWaalsContact O-CG1 3.26Å; R2908-I2912 WeakPolarHBondContact O-CG1 3.37Å; R2908-I2912 PolarHBondContact O-N 3.14Å; R2908-I2912 VanDerWaalsContact O-N 3.09Å |
| 2909 | V | 86.8 | Confident | 74.1 | Confident | 12.2 Ų | 12.2 | 72.7 Ų | 72.7 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72 | -34.1 | -176.6 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | Q2572 L2905 T2906 K2907 D2911 I2912 V2913 | Q2572-V2909 HydrophobicContact CG-CG2 4.13Å; L2905-V2909 HydrophobicContact CB-CB 4.31Å; L2905-V2909 HydrophobicContact CD1-CB 3.97Å; L2905-V2909 HydrophobicContact CD1-CG1 3.76Å; L2905-V2909 HydrophobicContact CD2-CB 4.26Å; L2905-V2909 HydrophobicContact CD2-CG1 3.95Å; L2905-V2909 VanDerWaalsContact CD2-CG1 3.46Å; L2905-V2909 HydrophobicContact CG-CB 4.04Å; L2905-V2909 HydrophobicContact CG-CG1 4.15Å; T2906-V2909 PolarHBondContact O-N 2.92Å; T2906-V2909 VanDerWaalsContact O-N 3.11Å; T2906-V2909 WeakPolarHBondContact OG1-CG2 3.33Å; T2906-V2909 PolarHBondContact OG1-N 3.02Å; K2907-V2909 VanDerWaalsContact C-N 3.34Å; K2907-V2909 PolarHBondContact O-N 3.28Å; V2909-D2911 VanDerWaalsContact C-N 3.33Å; V2909-D2911 PolarHBondContact O-N 3.09Å; V2909-I2912 PolarHBondContact O-N 3.41Å; V2909-V2913 HydrophobicContact CG1-CG2 4.2Å; V2909-V2913 WeakPolarHBondContact O-CB 3.36Å; V2909-V2913 VanDerWaalsContact O-CG2 3.24Å; V2909-V2913 WeakPolarHBondContact O-CG2 3.45Å; V2909-V2913 PolarHBondContact O-N 3.23Å |
| 2910 | Q | 86.8 | Confident | 76.3 | Confident | 48.4 Ų | 48.4 | 69.6 Ų | 69.6 | 23% | 0.226 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 171.4 | -175.2 | 66.3 | 72.1 | 0 | 0 | 111.8 | F2350 L2905 T2906 K2907 R2908 I2912 V2913 N2914 | F2350-Q2910 VanDerWaalsContact CE2-CD 3.45Å; L2905-Q2910 HydrophobicContact CB-CB 4.39Å; L2905-Q2910 HydrophobicContact CD2-CB 3.95Å; L2905-Q2910 HydrophobicContact CD2-CG 4.48Å; L2905-Q2910 HydrophobicContact CG-CB 4.32Å; T2906-Q2910 WeakPolarHBondContact O-CB 3.49Å; T2906-Q2910 PolarHBondContact O-N 3.12Å; K2907-Q2910 WeakPolarHBondContact O-CB 3.4Å; K2907-Q2910 PolarHBondContact O-N 3.29Å; K2907-Q2910 VanDerWaalsContact O-N 3.17Å; R2908-Q2910 VanDerWaalsContact C-N 3.32Å; R2908-Q2910 PolarHBondContact O-N 3.27Å; Q2910-I2912 VanDerWaalsContact C-N 3.35Å; Q2910-V2913 PolarHBondContact O-N 3.29Å; Q2910-N2914 VanDerWaalsContact NE2-CG 3.34Å; Q2910-N2914 PolarHBondContact NE2-ND2 3.16Å; Q2910-N2914 VanDerWaalsContact NE2-ND2 3.17Å; Q2910-N2914 PolarHBondContact NE2-OD1 3.34Å; Q2910-N2914 VanDerWaalsContact NE2-OD1 3.09Å; Q2910-N2914 VanDerWaalsContact O-CB 3.26Å; Q2910-N2914 WeakPolarHBondContact O-CB 3.41Å; Q2910-N2914 PolarHBondContact O-N 2.99Å; Q2910-N2914 PolarHBondContact O-ND2 3.14Å; Q2910-N2914 PolarHBondContact O-OD1 3.09Å |
| 2911 | D | 86.8 | Confident | 78.3 | Confident | 60.6 Ų | 60.6 | 65.7 Ų | 65.7 | 32% | 0.324 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | -179.5 | -68.6 | -16.8 | 0 | 0 | 0 | 111.4 | P2344 K2907 R2908 V2909 N2914 W2915 | P2344-D2911 WeakPolarHBondContact CG-OD2 3.31Å; K2907-D2911 WeakPolarHBondContact CE-OD2 3.34Å; K2907-D2911 WeakPolarHBondContact CG-OD2 3.44Å; K2907-D2911 IonicContact NZ-OD2 3.94Å; K2907-D2911 WeakPolarHBondContact O-CB 3.29Å; K2907-D2911 VanDerWaalsContact O-CG 3.28Å; K2907-D2911 PolarHBondContact O-N 3.03Å; R2908-D2911 PolarHBondContact O-N 3.05Å; V2909-D2911 VanDerWaalsContact C-N 3.33Å; V2909-D2911 PolarHBondContact O-N 3.09Å; D2911-N2914 PolarHBondContact O-N 3.01Å; D2911-W2915 WeakPolarHBondContact O-CB 3.27Å; D2911-W2915 PolarHBondContact O-N 2.93Å |
| 2912 | I | 87.3 | Confident | 80.5 | Confident | 60.6 Ų | 60.6 | 59.4 Ų | 59.4 | 31% | 0.311 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 175.9 | -65.8 | 164.7 | 0 | 0 | 0 | 111.1 | R2908 V2909 Q2910 N2914 W2915 Q2916 | R2908-I2912 HydrophobicContact CG-CD1 3.92Å; R2908-I2912 WeakPolarHBondContact O-CD1 3.49Å; R2908-I2912 VanDerWaalsContact O-CG1 3.26Å; R2908-I2912 WeakPolarHBondContact O-CG1 3.37Å; R2908-I2912 PolarHBondContact O-N 3.14Å; R2908-I2912 VanDerWaalsContact O-N 3.09Å; V2909-I2912 PolarHBondContact O-N 3.41Å; Q2910-I2912 VanDerWaalsContact C-N 3.35Å; I2912-N2914 VanDerWaalsContact C-N 3.34Å; I2912-N2914 PolarHBondContact O-N 2.94Å; I2912-W2915 PolarHBondContact O-N 2.95Å; I2912-Q2916 WeakPolarHBondContact O-CG 3.3Å; I2912-Q2916 PolarHBondContact O-N 2.88Å; I2912-Q2916 VanDerWaalsContact O-N 3.07Å |
| 2913 | V | 88 | Confident | 82.4 | Confident | 9.6 Ų | 9.6 | 55.7 Ų | 55.7 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.5 | -38 | -179.3 | 176.9 | 0 | 0 | 0 | 0 | 111 | F2350 L2905 V2909 Q2910 W2915 Q2916 N2917 | F2350-V2913 HydrophobicContact CE1-CG1 4.21Å; L2905-V2913 HydrophobicContact CD2-CG2 4.49Å; V2909-V2913 HydrophobicContact CG1-CG2 4.2Å; V2909-V2913 WeakPolarHBondContact O-CB 3.36Å; V2909-V2913 VanDerWaalsContact O-CG2 3.24Å; V2909-V2913 WeakPolarHBondContact O-CG2 3.45Å; V2909-V2913 PolarHBondContact O-N 3.23Å; Q2910-V2913 PolarHBondContact O-N 3.29Å; V2913-W2915 VanDerWaalsContact C-N 3.34Å; V2913-W2915 PolarHBondContact O-N 2.85Å; V2913-Q2916 PolarHBondContact O-N 3.1Å; V2913-N2917 VanDerWaalsContact O-CB 3.25Å; V2913-N2917 WeakPolarHBondContact O-CB 3.26Å; V2913-N2917 VanDerWaalsContact O-CG 3.24Å; V2913-N2917 PolarHBondContact O-N 3.14Å; V2913-N2917 PolarHBondContact O-ND2 3.21Å |
| 2914 | N | 87.9 | Confident | 84 | Confident | 46.6 Ų | 46.6 | 58.5 Ų | 58.5 | 25% | 0.249 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.3 | -76.7 | -11.7 | 0 | 0 | 0 | 111.7 | F2350 F2353 Q2910 D2911 I2912 N2917 I2918 | F2350-N2914 WeakPolarHBondContact CE1-OD1 3.47Å; F2353-N2914 WeakPolarHBondContact CE2-OD1 3.34Å; F2353-N2914 HydrophobicContact CZ-CB 3.78Å; F2353-N2914 VanDerWaalsContact CZ-OD1 3.27Å; F2353-N2914 WeakPolarHBondContact CZ-OD1 3.2Å; Q2910-N2914 VanDerWaalsContact NE2-CG 3.34Å; Q2910-N2914 PolarHBondContact NE2-ND2 3.16Å; Q2910-N2914 VanDerWaalsContact NE2-ND2 3.17Å; Q2910-N2914 PolarHBondContact NE2-OD1 3.34Å; Q2910-N2914 VanDerWaalsContact NE2-OD1 3.09Å; Q2910-N2914 VanDerWaalsContact O-CB 3.26Å; Q2910-N2914 WeakPolarHBondContact O-CB 3.41Å; Q2910-N2914 PolarHBondContact O-N 2.99Å; Q2910-N2914 PolarHBondContact O-ND2 3.14Å; Q2910-N2914 PolarHBondContact O-OD1 3.09Å; D2911-N2914 PolarHBondContact O-N 3.01Å; I2912-N2914 VanDerWaalsContact C-N 3.34Å; I2912-N2914 PolarHBondContact O-N 2.94Å; N2914-N2917 WeakPolarHBondContact O-CB 3.34Å; N2914-N2917 PolarHBondContact O-N 2.98Å; N2914-I2918 WeakPolarHBondContact O-CB 3.39Å; N2914-I2918 WeakPolarHBondContact O-CD1 3.28Å; N2914-I2918 VanDerWaalsContact O-CG1 3.3Å; N2914-I2918 WeakPolarHBondContact O-CG1 3.36Å; N2914-I2918 PolarHBondContact O-N 3.24Å |
| 2915 | W | 88.2 | Confident | 85.1 | Confident | 98.6 Ų | 98.6 | 53.2 Ų | 53.2 | 37% | 0.373 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 177.2 | 176.3 | -137.2 | 0 | 0 | 0 | 111.7 | Y2306 I2309 L2419 D2911 I2912 V2913 N2917 I2918 E2919 Y3236 | Y2306-W2915 AromaticContact CD2-CH2 3.5Å; Y2306-W2915 HydrophobicContact CD2-CH2 3.5Å; Y2306-W2915 VanDerWaalsContact CD2-CH2 3.48Å; Y2306-W2915 HydrophobicContact CD2-CZ2 4.24Å; Y2306-W2915 AromaticContact CD2-CZ3 3.84Å; Y2306-W2915 HydrophobicContact CD2-CZ3 3.84Å; Y2306-W2915 AromaticContact CE2-CH2 3.43Å; Y2306-W2915 HydrophobicContact CE2-CH2 3.43Å; Y2306-W2915 VanDerWaalsContact CE2-CH2 3.43Å; Y2306-W2915 AromaticContact CE2-CZ2 3.82Å; Y2306-W2915 HydrophobicContact CE2-CZ2 3.82Å; Y2306-W2915 HydrophobicContact CE2-CZ3 4.24Å; Y2306-W2915 HydrophobicContact CG-CH2 4.41Å; I2309-W2915 HydrophobicContact CB-CE3 4.19Å; I2309-W2915 HydrophobicContact CB-CZ3 3.72Å; I2309-W2915 HydrophobicContact CD1-CE3 3.88Å; I2309-W2915 HydrophobicContact CD1-CZ3 4.07Å; I2309-W2915 HydrophobicContact CG1-CZ3 4.47Å; I2309-W2915 HydrophobicContact CG2-CE3 3.66Å; I2309-W2915 HydrophobicContact CG2-CH2 4.27Å; I2309-W2915 HydrophobicContact CG2-CZ3 3.47Å; I2309-W2915 VanDerWaalsContact CG2-CZ3 3.47Å; L2419-W2915 HydrophobicContact CD1-CZ2 4.29Å; D2911-W2915 WeakPolarHBondContact O-CB 3.27Å; D2911-W2915 PolarHBondContact O-N 2.93Å; I2912-W2915 PolarHBondContact O-N 2.95Å; V2913-W2915 VanDerWaalsContact C-N 3.34Å; V2913-W2915 PolarHBondContact O-N 2.85Å; W2915-N2917 VanDerWaalsContact C-N 3.29Å; W2915-N2917 PolarHBondContact O-N 3.22Å; W2915-I2918 PolarHBondContact O-N 3.19Å; W2915-I2918 VanDerWaalsContact O-N 3.15Å; W2915-E2919 WeakPolarHBondContact CH2-OE2 3.39Å; W2915-E2919 VanDerWaalsContact CZ3-OE2 3.32Å; W2915-E2919 WeakPolarHBondContact CZ3-OE2 3.38Å; W2915-E2919 PolarHBondContact NE1-OE2 3.35Å; W2915-E2919 WeakPolarHBondContact O-CB 3.31Å; W2915-E2919 PolarHBondContact O-N 2.94Å; W2915-Y3236 HydrophobicContact CZ3-CE1 4.39Å |
| 2916 | Q | 86.2 | Confident | 85.5 | Confident | 44 Ų | 44 | 52.9 Ų | 52.9 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -35.8 | 176.3 | -84.8 | -172.6 | 13 | 0 | 0 | 112.4 | H2577 S2581 V2583 I2912 V2913 E2919 H2920 | H2577-Q2916 PolarHBondContact CD2-OE1 3.19Å; H2577-Q2916 VanDerWaalsContact NE2-CD 3.3Å; H2577-Q2916 PolarHBondContact NE2-NE2 3.19Å; H2577-Q2916 PolarHBondContact NE2-OE1 3.05Å; H2577-Q2916 VanDerWaalsContact NE2-OE1 3.12Å; S2581-Q2916 PolarHBondContact OG-OE1 2.62Å; V2583-Q2916 HydrophobicContact CG1-CG 4.08Å; I2912-Q2916 WeakPolarHBondContact O-CG 3.3Å; I2912-Q2916 PolarHBondContact O-N 2.88Å; I2912-Q2916 VanDerWaalsContact O-N 3.07Å; V2913-Q2916 PolarHBondContact O-N 3.1Å; Q2916-E2919 PolarHBondContact O-N 2.93Å; Q2916-H2920 VanDerWaalsContact O-CB 3.25Å; Q2916-H2920 WeakPolarHBondContact O-CB 3.36Å; Q2916-H2920 PolarHBondContact O-N 3.11Å |
| 2917 | N | 87.9 | Confident | 85.5 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.118 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 174.7 | -78.9 | -23.4 | 0 | 0 | 0 | 112.4 | F2353 Y2580 S2581 R2582 V2913 N2914 W2915 E2919 H2920 L2921 | F2353-N2917 HydrophobicContact CD1-CB 4.07Å; F2353-N2917 HydrophobicContact CE1-CB 3.76Å; F2353-N2917 HydrophobicContact CZ-CB 4.1Å; Y2580-N2917 PolarHBondContact O-ND2 3.15Å; S2581-N2917 WeakPolarHBondContact CA-OD1 3.23Å; S2581-N2917 PolarHBondContact OG-OD1 2.91Å; R2582-N2917 VanDerWaalsContact CB-OD1 3.32Å; R2582-N2917 WeakPolarHBondContact CB-OD1 3.45Å; R2582-N2917 WeakPolarHBondContact CG-OD1 3.37Å; R2582-N2917 PolarHBondContact N-OD1 3.16Å; R2582-N2917 PolarHBondContact NH1-ND2 3.48Å; V2913-N2917 VanDerWaalsContact O-CB 3.25Å; V2913-N2917 WeakPolarHBondContact O-CB 3.26Å; V2913-N2917 VanDerWaalsContact O-CG 3.24Å; V2913-N2917 PolarHBondContact O-N 3.14Å; V2913-N2917 PolarHBondContact O-ND2 3.21Å; N2914-N2917 WeakPolarHBondContact O-CB 3.34Å; N2914-N2917 PolarHBondContact O-N 2.98Å; W2915-N2917 VanDerWaalsContact C-N 3.29Å; W2915-N2917 PolarHBondContact O-N 3.22Å; N2917-E2919 VanDerWaalsContact C-N 3.34Å; N2917-H2920 PolarHBondContact O-N 2.68Å; N2917-L2921 WeakPolarHBondContact O-CB 3.38Å; N2917-L2921 WeakPolarHBondContact O-CD1 3.21Å; N2917-L2921 VanDerWaalsContact O-CG 3.23Å; N2917-L2921 WeakPolarHBondContact O-CG 3.38Å; N2917-L2921 PolarHBondContact O-N 3.13Å |
| 2918 | I | 87.7 | Confident | 85.6 | Confident | 47.2 Ų | 47.2 | 50 Ų | 50 | 24% | 0.242 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -48.1 | 176.9 | -70.7 | 164.2 | 0 | 0 | 0 | 110.1 | A2302 Q2305 Y2306 I2309 F2353 L2356 N2914 W2915 H2920 L2921 H2922 | A2302-I2918 WeakPolarHBondContact O-CG2 3.34Å; Q2305-I2918 HydrophobicContact CB-CD1 4.25Å; Q2305-I2918 HydrophobicContact CB-CG2 4.09Å; Y2306-I2918 HydrophobicContact CD2-CG2 4.46Å; I2309-I2918 HydrophobicContact CD1-CD1 3.74Å; F2353-I2918 HydrophobicContact CE1-CG1 4.07Å; L2356-I2918 HydrophobicContact CD1-CG1 4.32Å; N2914-I2918 WeakPolarHBondContact O-CB 3.39Å; N2914-I2918 WeakPolarHBondContact O-CD1 3.28Å; N2914-I2918 VanDerWaalsContact O-CG1 3.3Å; N2914-I2918 WeakPolarHBondContact O-CG1 3.36Å; N2914-I2918 PolarHBondContact O-N 3.24Å; W2915-I2918 PolarHBondContact O-N 3.19Å; W2915-I2918 VanDerWaalsContact O-N 3.15Å; I2918-H2920 PolarHBondContact O-N 2.98Å; I2918-L2921 PolarHBondContact O-N 3.06Å; I2918-H2922 WeakPolarHBondContact O-CB 3.33Å; I2918-H2922 PolarHBondContact O-CD2 3.28Å; I2918-H2922 PolarHBondContact O-N 3.09Å |
| 2919 | E | 84.9 | Confident | 85.5 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.9 | -178.3 | 176.1 | -149.2 | 0 | 0 | 111.9 | Y2306 S2415 W2915 Q2916 N2917 L2921 H2922 H2923 Y3236 | Y2306-E2919 HydrophobicContact CD2-CB 4.2Å; Y2306-E2919 HydrophobicContact CE2-CB 4.07Å; Y2306-E2919 HydrophobicContact CE2-CG 3.96Å; S2415-E2919 PolarHBondContact OG-OE1 2.94Å; W2915-E2919 WeakPolarHBondContact CH2-OE2 3.39Å; W2915-E2919 VanDerWaalsContact CZ3-OE2 3.32Å; W2915-E2919 WeakPolarHBondContact CZ3-OE2 3.38Å; W2915-E2919 PolarHBondContact NE1-OE2 3.35Å; W2915-E2919 WeakPolarHBondContact O-CB 3.31Å; W2915-E2919 PolarHBondContact O-N 2.94Å; Q2916-E2919 PolarHBondContact O-N 2.93Å; N2917-E2919 VanDerWaalsContact C-N 3.34Å; E2919-L2921 VanDerWaalsContact C-N 3.3Å; E2919-L2921 PolarHBondContact O-N 3.13Å; E2919-H2922 WeakPolarHBondContact O-CB 3.19Å; E2919-H2922 PolarHBondContact O-N 3.33Å; E2919-H2922 VanDerWaalsContact O-N 3.16Å; E2919-H2923 VanDerWaalsContact CG-CE1 3.45Å; E2919-H2923 WeakPolarHBondContact CG-CE1 3.45Å; E2919-H2923 PolarHBondContact O-CD2 3.09Å; E2919-H2923 PolarHBondContact O-N 3.29Å; E2919-H2923 PolarHBondContact O-ND1 3.08Å; E2919-H2923 IonicContact OE1-CE1 3.16Å; E2919-H2923 PolarHBondContact OE1-CE1 3.47Å; E2919-Y3236 HydrophobicContact CG-CE2 4.05Å; E2919-Y3236 WeakPolarHBondContact OE1-CE2 3.48Å; E2919-Y3236 VanDerWaalsContact OE1-CZ 3.28Å; E2919-Y3236 PolarHBondContact OE1-OH 3.44Å; E2919-Y3236 WeakPolarHBondContact OE2-CE2 3.44Å; E2919-Y3236 PolarHBondContact OE2-OH 2.69Å |
| 2920 | H | 83.8 | Confident | 85.6 | Confident | 47.4 Ų | 47.4 | 53.2 Ų | 53.2 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | 175.9 | 175.8 | 67 | 0 | 0 | 0 | 112.2 | V2583 Q2916 N2917 I2918 H2923 R2924 | V2583-H2920 HydrophobicContact CG1-CB 3.95Å; Q2916-H2920 VanDerWaalsContact O-CB 3.25Å; Q2916-H2920 WeakPolarHBondContact O-CB 3.36Å; Q2916-H2920 PolarHBondContact O-N 3.11Å; N2917-H2920 PolarHBondContact O-N 2.68Å; I2918-H2920 PolarHBondContact O-N 2.98Å; H2920-H2923 PolarHBondContact O-N 2.96Å; H2920-R2924 VanDerWaalsContact O-CB 3.26Å; H2920-R2924 WeakPolarHBondContact O-CB 3.38Å; H2920-R2924 PolarHBondContact O-N 3.11Å |
| 2921 | L | 85.1 | Confident | 85.7 | Confident | 36.8 Ų | 36.8 | 51.8 Ų | 51.8 | 19% | 0.193 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -38.4 | 178 | -72.3 | 170.1 | 0 | 0 | 0 | 112 | A2302 L2356 N2917 I2918 E2919 R2924 I2925 | A2302-L2921 HydrophobicContact CB-CB 3.52Å; A2302-L2921 HydrophobicContact CB-CD1 4.33Å; L2356-L2921 HydrophobicContact CB-CD1 3.86Å; N2917-L2921 WeakPolarHBondContact O-CB 3.38Å; N2917-L2921 WeakPolarHBondContact O-CD1 3.21Å; N2917-L2921 VanDerWaalsContact O-CG 3.23Å; N2917-L2921 WeakPolarHBondContact O-CG 3.38Å; N2917-L2921 PolarHBondContact O-N 3.13Å; I2918-L2921 PolarHBondContact O-N 3.06Å; E2919-L2921 VanDerWaalsContact C-N 3.3Å; E2919-L2921 PolarHBondContact O-N 3.13Å; L2921-R2924 PolarHBondContact O-N 3.14Å; L2921-I2925 WeakPolarHBondContact O-CB 3.44Å; L2921-I2925 VanDerWaalsContact O-CG1 3.29Å; L2921-I2925 WeakPolarHBondContact O-CG1 3.28Å; L2921-I2925 WeakPolarHBondContact O-CG2 3.48Å; L2921-I2925 PolarHBondContact O-N 3.17Å; L2921-I2925 VanDerWaalsContact O-N 3.09Å |
| 2922 | H | 86.7 | Confident | 85.8 | Confident | 46.6 Ų | 46.6 | 49.6 Ų | 49.6 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 173.8 | -170 | 54.4 | 0 | 0 | 0 | 111.8 | S2303 Y2306 L2391 I2918 E2919 R2924 I2925 Q2926 | S2303-H2922 WeakPolarHBondContact CB-ND1 3.44Å; S2303-H2922 PolarHBondContact OG-ND1 2.91Å; Y2306-H2922 AromaticContact CD1-CD2 3.57Å; Y2306-H2922 AromaticContact CD1-CE1 3.97Å; Y2306-H2922 AromaticContact CD1-CG 3.92Å; Y2306-H2922 AromaticContact CD1-NE2 3.63Å; Y2306-H2922 HydrophobicContact CD2-CB 4.45Å; Y2306-H2922 AromaticContact CE1-CD2 3.71Å; Y2306-H2922 AromaticContact CE1-NE2 3.67Å; Y2306-H2922 HydrophobicContact CG-CB 4.21Å; Y2306-H2922 AromaticContact CG-CD2 3.83Å; Y2306-H2922 AromaticContact CG-CG 3.93Å; L2391-H2922 PolarHBondContact O-CE1 3.1Å; I2918-H2922 WeakPolarHBondContact O-CB 3.33Å; I2918-H2922 PolarHBondContact O-CD2 3.28Å; I2918-H2922 PolarHBondContact O-N 3.09Å; E2919-H2922 WeakPolarHBondContact O-CB 3.19Å; E2919-H2922 PolarHBondContact O-N 3.33Å; E2919-H2922 VanDerWaalsContact O-N 3.16Å; H2922-R2924 VanDerWaalsContact C-N 3.33Å; H2922-R2924 PolarHBondContact O-N 3.17Å; H2922-I2925 VanDerWaalsContact O-CG2 3.24Å; H2922-I2925 WeakPolarHBondContact O-CG2 3.39Å; H2922-I2925 PolarHBondContact O-N 2.94Å; H2922-Q2926 PolarHBondContact CE1-NE2 3.25Å; H2922-Q2926 VanDerWaalsContact CE1-NE2 3.31Å; H2922-Q2926 PolarHBondContact NE2-NE2 2.97Å; H2922-Q2926 VanDerWaalsContact NE2-NE2 3.16Å; H2922-Q2926 WeakPolarHBondContact O-CB 3.38Å; H2922-Q2926 WeakPolarHBondContact O-CG 3.12Å; H2922-Q2926 PolarHBondContact O-N 3.05Å; H2922-Q2926 VanDerWaalsContact O-N 3.14Å |
| 2923 | H | 81.7 | Confident | 86 | Confident | 46.6 Ų | 46.6 | 52.8 Ų | 52.8 | 22% | 0.216 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -41 | 174.7 | -67.3 | 170.3 | 0 | 0 | 0 | 111.6 | F2408 L2410 E2919 H2920 I2925 Q2926 F2927 | F2408-H2923 AromaticContact CE1-CE1 3.9Å; F2408-H2923 AromaticContact CE1-NE2 3.84Å; F2408-H2923 HydrophobicContact CZ-CB 4.43Å; L2410-H2923 HydrophobicContact CD2-CB 4.07Å; E2919-H2923 VanDerWaalsContact CG-CE1 3.45Å; E2919-H2923 WeakPolarHBondContact CG-CE1 3.45Å; E2919-H2923 PolarHBondContact O-CD2 3.09Å; E2919-H2923 PolarHBondContact O-N 3.29Å; E2919-H2923 PolarHBondContact O-ND1 3.08Å; E2919-H2923 IonicContact OE1-CE1 3.16Å; E2919-H2923 PolarHBondContact OE1-CE1 3.47Å; H2920-H2923 PolarHBondContact O-N 2.96Å; H2923-I2925 VanDerWaalsContact C-N 3.3Å; H2923-I2925 PolarHBondContact O-N 3.22Å; H2923-Q2926 PolarHBondContact CD2-OE1 2.9Å; H2923-Q2926 VanDerWaalsContact CD2-OE1 3.29Å; H2923-Q2926 PolarHBondContact ND1-OE1 3.17Å; H2923-Q2926 WeakPolarHBondContact O-CB 3.38Å; H2923-Q2926 PolarHBondContact O-N 3.24Å; H2923-Q2926 VanDerWaalsContact O-N 3.07Å; H2923-F2927 VanDerWaalsContact O-CD2 3.29Å; H2923-F2927 WeakPolarHBondContact O-CD2 3.43Å; H2923-F2927 PolarHBondContact O-N 3.15Å; H2923-F2927 VanDerWaalsContact O-N 3.13Å |
| 2924 | R | 82.4 | Confident | 86.2 | Confident | 126 Ų | 126 | 54.8 Ų | 54.8 | 48% | 0.475 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 178.2 | -168.1 | -179.2 | 93.2 | 173 | 4.9 | 112.3 | L2410 H2920 L2921 H2922 F2927 D2928 | L2410-R2924 HydrophobicContact CD2-CB 4.38Å; L2410-R2924 HydrophobicContact CD2-CG 4.1Å; H2920-R2924 VanDerWaalsContact O-CB 3.26Å; H2920-R2924 WeakPolarHBondContact O-CB 3.38Å; H2920-R2924 PolarHBondContact O-N 3.11Å; L2921-R2924 PolarHBondContact O-N 3.14Å; H2922-R2924 VanDerWaalsContact C-N 3.33Å; H2922-R2924 PolarHBondContact O-N 3.17Å; R2924-F2927 PolarHBondContact O-N 2.94Å; R2924-D2928 PolarHBondContact O-N 3.15Å; R2924-D2928 VanDerWaalsContact O-N 3.12Å |
| 2925 | I | 83.4 | Confident | 86.5 | Confident | 51.4 Ų | 51.4 | 52.9 Ų | 52.9 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72 | -38.4 | 177 | -132.2 | 98.6 | 0 | 0 | 0 | 111.9 | F2300 M2363 L2921 H2922 H2923 F2927 D2928 | F2300-I2925 HydrophobicContact CD1-CG1 3.65Å; F2300-I2925 HydrophobicContact CD1-CG2 4.21Å; F2300-I2925 HydrophobicContact CE1-CD1 4.19Å; F2300-I2925 HydrophobicContact CE1-CG1 3.48Å; F2300-I2925 VanDerWaalsContact CE1-CG1 3.45Å; M2363-I2925 HydrophobicContact CE-CD1 3.34Å; M2363-I2925 HydrophobicContact SD-CD1 3.55Å; M2363-I2925 VanDerWaalsContact SD-CD1 3.55Å; L2921-I2925 WeakPolarHBondContact O-CB 3.44Å; L2921-I2925 VanDerWaalsContact O-CG1 3.29Å; L2921-I2925 WeakPolarHBondContact O-CG1 3.28Å; L2921-I2925 WeakPolarHBondContact O-CG2 3.48Å; L2921-I2925 PolarHBondContact O-N 3.17Å; L2921-I2925 VanDerWaalsContact O-N 3.09Å; H2922-I2925 VanDerWaalsContact O-CG2 3.24Å; H2922-I2925 WeakPolarHBondContact O-CG2 3.39Å; H2922-I2925 PolarHBondContact O-N 2.94Å; H2923-I2925 VanDerWaalsContact C-N 3.3Å; H2923-I2925 PolarHBondContact O-N 3.22Å; I2925-F2927 PolarHBondContact O-N 3.21Å; I2925-D2928 HydrophobicContact CD1-CB 4.09Å; I2925-D2928 VanDerWaalsContact O-CB 3.25Å; I2925-D2928 WeakPolarHBondContact O-CB 3.43Å; I2925-D2928 PolarHBondContact O-N 2.99Å; I2925-D2928 VanDerWaalsContact O-N 3.11Å |
| 2926 | Q | 81.5 | Confident | 86.7 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.5 | -34.2 | 174.1 | -114.5 | 175.7 | -3.4 | 0 | 0 | 112.6 | I2392 H2922 H2923 L2931 L2970 R2971 | I2392-Q2926 HydrophobicContact CG2-CG 3.59Å; I2392-Q2926 PolarHBondContact O-NE2 2.99Å; H2922-Q2926 PolarHBondContact CE1-NE2 3.25Å; H2922-Q2926 VanDerWaalsContact CE1-NE2 3.31Å; H2922-Q2926 PolarHBondContact NE2-NE2 2.97Å; H2922-Q2926 VanDerWaalsContact NE2-NE2 3.16Å; H2922-Q2926 WeakPolarHBondContact O-CB 3.38Å; H2922-Q2926 WeakPolarHBondContact O-CG 3.12Å; H2922-Q2926 PolarHBondContact O-N 3.05Å; H2922-Q2926 VanDerWaalsContact O-N 3.14Å; H2923-Q2926 PolarHBondContact CD2-OE1 2.9Å; H2923-Q2926 VanDerWaalsContact CD2-OE1 3.29Å; H2923-Q2926 PolarHBondContact ND1-OE1 3.17Å; H2923-Q2926 WeakPolarHBondContact O-CB 3.38Å; H2923-Q2926 PolarHBondContact O-N 3.24Å; H2923-Q2926 VanDerWaalsContact O-N 3.07Å; Q2926-L2931 WeakPolarHBondContact O-CD2 3.41Å; Q2926-L2970 HydrophobicContact CB-CD2 4.14Å; Q2926-L2970 HydrophobicContact CG-CD1 4.23Å; Q2926-L2970 HydrophobicContact CG-CD2 3.96Å; Q2926-L2970 HydrophobicContact CG-CG 4.32Å; Q2926-R2971 WeakPolarHBondContact O-CD 3.37Å; Q2926-R2971 PolarHBondContact O-NE 2.85Å; Q2926-R2971 PolarHBondContact O-NH1 3.01Å |
| 2927 | F | 81.3 | Confident | 87.1 | Confident | 74.6 Ų | 74.6 | 51.7 Ų | 51.7 | 33% | 0.327 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 4.3 | 180 | -68.3 | -77.3 | 0 | 0 | 0 | 114.8 | F2408 H2923 R2924 I2925 L2970 R2971 T3273 | F2408-F2927 HydrophobicContact CB-CD2 4.14Å; F2408-F2927 HydrophobicContact CB-CE1 4.36Å; F2408-F2927 HydrophobicContact CB-CE2 3.7Å; F2408-F2927 HydrophobicContact CB-CZ 3.72Å; F2408-F2927 HydrophobicContact CD1-CE2 4.08Å; F2408-F2927 HydrophobicContact CD1-CZ 4.49Å; F2408-F2927 HydrophobicContact CD2-CD2 4.5Å; F2408-F2927 HydrophobicContact CD2-CE2 4.31Å; F2408-F2927 HydrophobicContact CD2-CZ 4.01Å; F2408-F2927 AromaticContact CG-CE2 3.85Å; F2408-F2927 HydrophobicContact CG-CE2 4.03Å; F2408-F2927 AromaticContact CG-CZ 3.81Å; F2408-F2927 HydrophobicContact CG-CZ 3.81Å; H2923-F2927 VanDerWaalsContact O-CD2 3.29Å; H2923-F2927 WeakPolarHBondContact O-CD2 3.43Å; H2923-F2927 PolarHBondContact O-N 3.15Å; H2923-F2927 VanDerWaalsContact O-N 3.13Å; R2924-F2927 PolarHBondContact O-N 2.94Å; I2925-F2927 PolarHBondContact O-N 3.21Å; F2927-L2970 HydrophobicContact CZ-CD1 4.13Å; F2927-L2970 HydrophobicContact CZ-CG 4.33Å; F2927-R2971 VanDerWaalsContact C-NH1 3.31Å; F2927-R2971 HydrophobicContact CD1-CG 4.37Å; F2927-R2971 HydrophobicContact CE1-CG 4.25Å; F2927-R2971 PolarHBondContact O-NH1 2.95Å; F2927-R2971 PolarHBondContact O-NH2 3.13Å; F2927-R2971 VanDerWaalsContact O-NH2 3.08Å; F2927-T3273 HydrophobicContact CZ-CG2 4.46Å |
| 2928 | D | 85.4 | Confident | 87.4 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.171 | 25% | 0.25 | C | S | . | . | trans | -59.4 | 140.7 | 179.5 | -168.5 | -79.9 | 0 | 0 | 0 | 111.5 | R2360 M2363 R2924 I2925 L2930 L2931 P2932 R2971 | R2360-D2928 IonicContact CZ-OD2 3.08Å; R2360-D2928 IonicContact NE-OD1 3Å; R2360-D2928 IonicContact NE-OD2 3.41Å; R2360-D2928 PolarHBondContact NE-OD2 3.39Å; R2360-D2928 IonicContact NH2-OD2 2.93Å; R2360-D2928 PolarHBondContact NH2-OD2 3.18Å; M2363-D2928 HydrophobicContact SD-CB 4.41Å; R2924-D2928 PolarHBondContact O-N 3.15Å; R2924-D2928 VanDerWaalsContact O-N 3.12Å; I2925-D2928 HydrophobicContact CD1-CB 4.09Å; I2925-D2928 VanDerWaalsContact O-CB 3.25Å; I2925-D2928 WeakPolarHBondContact O-CB 3.43Å; I2925-D2928 PolarHBondContact O-N 2.99Å; I2925-D2928 VanDerWaalsContact O-N 3.11Å; D2928-L2930 VanDerWaalsContact C-N 3.3Å; D2928-L2930 PolarHBondContact O-N 3.2Å; D2928-L2930 VanDerWaalsContact OD1-CB 3.26Å; D2928-L2930 WeakPolarHBondContact OD1-CB 3.41Å; D2928-L2930 WeakPolarHBondContact OD1-CG 3.46Å; D2928-L2930 PolarHBondContact OD1-N 3.09Å; D2928-L2931 PolarHBondContact O-N 3.25Å; D2928-P2932 VanDerWaalsContact O-CD 3.28Å; D2928-P2932 WeakPolarHBondContact O-CD 3.25Å; D2928-R2971 PolarHBondContact O-NH1 3.2Å; D2928-R2971 VanDerWaalsContact O-NH1 3.08Å; D2928-R2971 PolarHBondContact O-NH2 3.21Å; D2928-R2971 VanDerWaalsContact O-NH2 3.11Å | ||
| 2929 | P | 85.4 | Confident | 87.7 | Confident | 85.6 Ų | 85.6 | 49.6 Ų | 49.6 | 56% | 0.556 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -65.4 | -21.2 | 179.5 | 15.8 | -23.8 | 0 | 0 | 0 | 115.1 | P2932 | P2929-P2932 WeakPolarHBondContact O-CD 3.39Š|
| 2930 | L | 88.6 | Confident | 88.1 | Confident | 65.4 Ų | 65.4 | 48.8 Ų | 48.8 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -80.4 | -26.1 | 178 | -62.5 | -178.7 | 0 | 0 | 0 | 113.2 | R2360 M2363 N2364 F2367 D2928 P2932 E2933 F2934 | R2360-L2930 HydrophobicContact CG-CD1 3.5Å; R2360-L2930 VanDerWaalsContact CG-CD1 3.45Å; R2360-L2930 HydrophobicContact CG-CG 4.05Å; M2363-L2930 HydrophobicContact CB-CD1 4.46Å; M2363-L2930 HydrophobicContact CG-CD1 4.45Å; M2363-L2930 HydrophobicContact SD-CD1 4.39Å; N2364-L2930 HydrophobicContact CB-CD1 3.8Å; F2367-L2930 HydrophobicContact CD2-CB 4.18Å; F2367-L2930 HydrophobicContact CE2-CB 3.9Å; D2928-L2930 VanDerWaalsContact C-N 3.3Å; D2928-L2930 PolarHBondContact O-N 3.2Å; D2928-L2930 VanDerWaalsContact OD1-CB 3.26Å; D2928-L2930 WeakPolarHBondContact OD1-CB 3.41Å; D2928-L2930 WeakPolarHBondContact OD1-CG 3.46Å; D2928-L2930 PolarHBondContact OD1-N 3.09Å; L2930-P2932 VanDerWaalsContact C-CD 3.46Å; L2930-E2933 PolarHBondContact O-N 3.01Å; L2930-E2933 VanDerWaalsContact O-N 3.13Å; L2930-F2934 PolarHBondContact O-N 3.32Å; L2930-F2934 VanDerWaalsContact O-N 3.1Å |
| 2931 | L | 89.4 | Confident | 88.5 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -42.2 | -175.7 | -174 | 69 | 0 | 0 | 0 | 113.6 | F2367 I2392 F2393 Q2926 D2928 E2933 F2934 I2935 F2967 | F2367-L2931 HydrophobicContact CZ-CD1 4.04Å; I2392-L2931 HydrophobicContact CD1-CD1 4.1Å; I2392-L2931 HydrophobicContact CG2-CD2 4.47Å; F2393-L2931 HydrophobicContact CZ-CD2 4.18Å; Q2926-L2931 WeakPolarHBondContact O-CD2 3.41Å; D2928-L2931 PolarHBondContact O-N 3.25Å; L2931-E2933 VanDerWaalsContact C-N 3.33Å; L2931-E2933 PolarHBondContact O-N 3.19Å; L2931-F2934 HydrophobicContact CD1-CD1 4.2Å; L2931-F2934 PolarHBondContact O-N 3.25Å; L2931-I2935 HydrophobicContact CD1-CD1 4.34Å; L2931-I2935 HydrophobicContact CD1-CG1 3.96Å; L2931-I2935 HydrophobicContact CG-CG1 4.06Å; L2931-I2935 WeakPolarHBondContact O-CB 3.34Å; L2931-I2935 VanDerWaalsContact O-CG1 3.27Å; L2931-I2935 WeakPolarHBondContact O-CG1 3.31Å; L2931-I2935 PolarHBondContact O-N 3.25Å; L2931-F2967 HydrophobicContact CG-CE2 4.44Å |
| 2932 | P | 89.8 | Confident | 88.9 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.2 | -42.6 | 177 | -27.6 | 36.1 | 0 | 0 | 0 | 114.9 | D2928 P2929 L2930 I2935 Y2936 F2967 V2974 W2982 | D2928-P2932 VanDerWaalsContact O-CD 3.28Å; D2928-P2932 WeakPolarHBondContact O-CD 3.25Å; P2929-P2932 WeakPolarHBondContact O-CD 3.39Å; L2930-P2932 VanDerWaalsContact C-CD 3.46Å; P2932-I2935 PolarHBondContact O-N 3.29Å; P2932-Y2936 VanDerWaalsContact O-CB 3.25Å; P2932-Y2936 WeakPolarHBondContact O-CB 3.37Å; P2932-Y2936 PolarHBondContact O-N 3.11Å; P2932-F2967 HydrophobicContact CB-CZ 3.92Å; P2932-F2967 HydrophobicContact CG-CZ 4.08Å; P2932-V2974 HydrophobicContact CB-CG1 3.76Å; P2932-V2974 HydrophobicContact CG-CB 4.37Å; P2932-V2974 HydrophobicContact CG-CG1 3.83Å; P2932-V2974 HydrophobicContact CG-CG2 4.22Å; P2932-W2982 HydrophobicContact CB-CZ2 4.42Å; P2932-W2982 WeakPolarHBondContact O-CH2 3.38Å |
| 2933 | E | 90.2 | Very high | 89.1 | Confident | 127.4 Ų | 127.4 | 45.5 Ų | 45.5 | 60% | 0.595 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -69.6 | -43.4 | -179.7 | -177.9 | 173.1 | -176.7 | 0 | 0 | 111 | L2930 L2931 I2935 Y2936 N2937 | L2930-E2933 PolarHBondContact O-N 3.01Å; L2930-E2933 VanDerWaalsContact O-N 3.13Å; L2931-E2933 VanDerWaalsContact C-N 3.33Å; L2931-E2933 PolarHBondContact O-N 3.19Å; E2933-I2935 PolarHBondContact O-N 3.13Å; E2933-Y2936 PolarHBondContact O-N 3.23Å; E2933-N2937 WeakPolarHBondContact CG-ND2 3.34Å; E2933-N2937 VanDerWaalsContact O-CB 3.31Å; E2933-N2937 WeakPolarHBondContact O-CB 3.43Å; E2933-N2937 VanDerWaalsContact O-CG 3.31Å; E2933-N2937 PolarHBondContact O-N 3.21Å; E2933-N2937 PolarHBondContact O-ND2 3.13Å; E2933-N2937 VanDerWaalsContact O-ND2 3.17Å |
| 2934 | F | 93.1 | Very high | 89.5 | Confident | 52.2 Ų | 52.2 | 48.1 Ų | 48.1 | 23% | 0.229 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -48.7 | 173.6 | 171.5 | -107.8 | 0 | 0 | 0 | 112.2 | F2367 L2370 L2371 L2384 L2388 L2930 L2931 N2937 L2938 | F2367-F2934 HydrophobicContact CB-CB 4.26Å; F2367-F2934 HydrophobicContact CB-CD2 3.46Å; F2367-F2934 VanDerWaalsContact CB-CD2 3.46Å; F2367-F2934 HydrophobicContact CB-CE2 3.97Å; F2367-F2934 HydrophobicContact CB-CG 3.97Å; F2367-F2934 HydrophobicContact CD1-CB 4.4Å; F2367-F2934 AromaticContact CD1-CD1 3.83Å; F2367-F2934 HydrophobicContact CD1-CD1 3.83Å; F2367-F2934 AromaticContact CD1-CD2 3.76Å; F2367-F2934 HydrophobicContact CD1-CD2 3.76Å; F2367-F2934 AromaticContact CD1-CE1 3.89Å; F2367-F2934 HydrophobicContact CD1-CE1 3.89Å; F2367-F2934 AromaticContact CD1-CE2 3.82Å; F2367-F2934 HydrophobicContact CD1-CE2 3.82Å; F2367-F2934 AromaticContact CD1-CG 3.75Å; F2367-F2934 HydrophobicContact CD1-CG 3.75Å; F2367-F2934 AromaticContact CD1-CZ 3.88Å; F2367-F2934 HydrophobicContact CD1-CZ 3.88Å; F2367-F2934 HydrophobicContact CD2-CB 3.67Å; F2367-F2934 HydrophobicContact CD2-CD1 4.41Å; F2367-F2934 HydrophobicContact CD2-CD2 4.26Å; F2367-F2934 AromaticContact CD2-CG 3.88Å; F2367-F2934 HydrophobicContact CD2-CG 3.88Å; F2367-F2934 AromaticContact CE1-CD1 3.83Å; F2367-F2934 HydrophobicContact CE1-CD1 3.83Å; F2367-F2934 AromaticContact CE1-CE1 3.92Å; F2367-F2934 HydrophobicContact CE1-CE1 3.92Å; F2367-F2934 HydrophobicContact CE1-CG 4.15Å; F2367-F2934 HydrophobicContact CE1-CZ 4.33Å; F2367-F2934 HydrophobicContact CE2-CB 4.05Å; F2367-F2934 HydrophobicContact CE2-CD1 4.4Å; F2367-F2934 HydrophobicContact CE2-CG 4.26Å; F2367-F2934 HydrophobicContact CG-CB 3.9Å; F2367-F2934 HydrophobicContact CG-CD1 4.14Å; F2367-F2934 AromaticContact CG-CD2 3.58Å; F2367-F2934 HydrophobicContact CG-CD2 3.58Å; F2367-F2934 HydrophobicContact CG-CE2 4.08Å; F2367-F2934 AromaticContact CG-CG 3.6Å; F2367-F2934 HydrophobicContact CG-CG 3.6Å; F2367-F2934 HydrophobicContact CZ-CD1 4.12Å; F2367-F2934 HydrophobicContact CZ-CG 4.4Å; L2370-F2934 HydrophobicContact CB-CE2 4.09Å; L2370-F2934 HydrophobicContact CB-CZ 4.39Å; L2370-F2934 HydrophobicContact CD1-CZ 4.3Å; L2371-F2934 HydrophobicContact CD1-CD2 3.97Å; L2371-F2934 HydrophobicContact CD2-CD2 4.03Å; L2371-F2934 HydrophobicContact CD2-CE2 4.13Å; L2371-F2934 HydrophobicContact CG-CD2 3.73Å; L2371-F2934 HydrophobicContact CG-CE2 3.89Å; L2384-F2934 HydrophobicContact CD1-CZ 4.45Å; L2384-F2934 HydrophobicContact CD2-CZ 4.17Å; L2388-F2934 HydrophobicContact CD1-CE1 3.62Å; L2388-F2934 HydrophobicContact CD1-CZ 4.02Å; L2388-F2934 HydrophobicContact CD2-CE1 3.95Å; L2388-F2934 HydrophobicContact CG-CE1 4.45Å; L2930-F2934 PolarHBondContact O-N 3.32Å; L2930-F2934 VanDerWaalsContact O-N 3.1Å; L2931-F2934 HydrophobicContact CD1-CD1 4.2Å; L2931-F2934 PolarHBondContact O-N 3.25Å; F2934-N2937 PolarHBondContact O-N 3.09Å; F2934-L2938 HydrophobicContact CE1-CD2 4.17Å; F2934-L2938 HydrophobicContact CZ-CD2 4.16Å; F2934-L2938 VanDerWaalsContact O-CB 3.3Å; F2934-L2938 WeakPolarHBondContact O-CB 3.33Å; F2934-L2938 PolarHBondContact O-N 3.27Å |
| 2935 | I | 93 | Very high | 89.8 | Confident | 5.8 Ų | 5.8 | 44.1 Ų | 44.1 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 179.2 | -66 | -66.8 | 0 | 0 | 0 | 111.3 | L2388 F2393 L2931 P2932 E2933 N2937 L2938 I2939 L2963 F2967 W2982 | L2388-I2935 HydrophobicContact CD1-CD1 4.16Å; F2393-I2935 HydrophobicContact CE2-CD1 4.33Å; L2931-I2935 HydrophobicContact CD1-CD1 4.34Å; L2931-I2935 HydrophobicContact CD1-CG1 3.96Å; L2931-I2935 HydrophobicContact CG-CG1 4.06Å; L2931-I2935 WeakPolarHBondContact O-CB 3.34Å; L2931-I2935 VanDerWaalsContact O-CG1 3.27Å; L2931-I2935 WeakPolarHBondContact O-CG1 3.31Å; L2931-I2935 PolarHBondContact O-N 3.25Å; P2932-I2935 PolarHBondContact O-N 3.29Å; E2933-I2935 PolarHBondContact O-N 3.13Å; I2935-N2937 PolarHBondContact O-N 3.04Å; I2935-L2938 PolarHBondContact O-N 3.05Å; I2935-I2939 HydrophobicContact CG2-CD1 3.53Å; I2935-I2939 VanDerWaalsContact CG2-CD1 3.5Å; I2935-I2939 HydrophobicContact CG2-CG1 4.31Å; I2935-I2939 WeakPolarHBondContact O-CB 3.44Å; I2935-I2939 WeakPolarHBondContact O-CD1 3.45Å; I2935-I2939 VanDerWaalsContact O-CG1 3.25Å; I2935-I2939 WeakPolarHBondContact O-CG1 3.33Å; I2935-I2939 PolarHBondContact O-N 3.06Å; I2935-L2963 HydrophobicContact CD1-CD1 4.4Å; I2935-L2963 HydrophobicContact CD1-CD2 4.24Å; I2935-F2967 HydrophobicContact CB-CD2 4.16Å; I2935-F2967 HydrophobicContact CB-CE2 4.18Å; I2935-F2967 HydrophobicContact CB-CG 4.47Å; I2935-F2967 HydrophobicContact CG1-CD2 4.02Å; I2935-F2967 HydrophobicContact CG1-CE2 4.11Å; I2935-F2967 HydrophobicContact CG2-CB 4.27Å; I2935-F2967 HydrophobicContact CG2-CD1 4.33Å; I2935-F2967 HydrophobicContact CG2-CD2 3.82Å; I2935-F2967 HydrophobicContact CG2-CE2 4.27Å; I2935-F2967 HydrophobicContact CG2-CG 3.87Å; I2935-W2982 HydrophobicContact CG2-CH2 4.39Å; I2935-W2982 HydrophobicContact CG2-CZ3 4.42Å |
| 2936 | Y | 93.2 | Very high | 90 | Very high | 56.8 Ų | 56.8 | 41.7 Ų | 41.7 | 22% | 0.223 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.9 | -48.4 | 175.7 | -176.8 | -87.9 | 0 | 0 | 0 | 111.7 | P2932 E2933 I2939 N2940 S2981 W2982 L2985 | P2932-Y2936 VanDerWaalsContact O-CB 3.25Å; P2932-Y2936 WeakPolarHBondContact O-CB 3.37Å; P2932-Y2936 PolarHBondContact O-N 3.11Å; E2933-Y2936 PolarHBondContact O-N 3.23Å; Y2936-I2939 PolarHBondContact O-N 3.27Å; Y2936-N2940 VanDerWaalsContact O-CB 3.29Å; Y2936-N2940 WeakPolarHBondContact O-CB 3.27Å; Y2936-N2940 PolarHBondContact O-N 3.12Å; Y2936-S2981 WeakPolarHBondContact CE2-O 3.5Å; Y2936-S2981 PolarHBondContact OH-O 2.95Å; Y2936-W2982 HydrophobicContact CD2-CD2 4.33Å; Y2936-W2982 HydrophobicContact CD2-CE3 4.3Å; Y2936-W2982 HydrophobicContact CD2-CH2 4.21Å; Y2936-W2982 HydrophobicContact CD2-CZ2 4.23Å; Y2936-W2982 HydrophobicContact CD2-CZ3 4.23Å; Y2936-W2982 HydrophobicContact CG-CH2 4.48Å; Y2936-L2985 HydrophobicContact CD2-CD1 3.37Å; Y2936-L2985 VanDerWaalsContact CD2-CD1 3.49Å; Y2936-L2985 HydrophobicContact CD2-CG 4.18Å; Y2936-L2985 HydrophobicContact CE2-CD1 3.4Å; Y2936-L2985 VanDerWaalsContact CE2-CD1 3.42Å; Y2936-L2985 HydrophobicContact CE2-CD2 4.17Å; Y2936-L2985 HydrophobicContact CE2-CG 3.67Å; Y2936-L2985 HydrophobicContact CG-CD1 4.07Å |
| 2937 | N | 94 | Very high | 90.3 | Very high | 60.6 Ų | 60.6 | 45.2 Ų | 45.2 | 32% | 0.324 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.2 | -40.9 | -179.8 | -72.6 | -28.7 | 0 | 0 | 0 | 112 | L2371 E2933 F2934 I2935 N2940 N2941 | L2371-N2937 HydrophobicContact CD1-CB 3.79Å; L2371-N2937 HydrophobicContact CD2-CB 3.88Å; L2371-N2937 HydrophobicContact CG-CB 4.48Å; E2933-N2937 WeakPolarHBondContact CG-ND2 3.34Å; E2933-N2937 VanDerWaalsContact O-CB 3.31Å; E2933-N2937 WeakPolarHBondContact O-CB 3.43Å; E2933-N2937 VanDerWaalsContact O-CG 3.31Å; E2933-N2937 PolarHBondContact O-N 3.21Å; E2933-N2937 PolarHBondContact O-ND2 3.13Å; E2933-N2937 VanDerWaalsContact O-ND2 3.17Å; F2934-N2937 PolarHBondContact O-N 3.09Å; I2935-N2937 PolarHBondContact O-N 3.04Å; N2937-N2940 PolarHBondContact O-N 2.92Å; N2937-N2941 WeakPolarHBondContact O-CB 3.45Å; N2937-N2941 VanDerWaalsContact O-CG 3.26Å; N2937-N2941 PolarHBondContact O-N 3.03Å; N2937-N2941 PolarHBondContact O-ND2 3.19Å; N2937-N2941 PolarHBondContact O-OD1 3.37Å |
| 2938 | L | 94.4 | Very high | 90.5 | Very high | 24.4 Ų | 24.4 | 46.8 Ų | 46.8 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | 175.1 | 178.9 | 61.7 | 0 | 0 | 0 | 111.4 | L2371 T2374 L2384 L2388 F2934 I2935 N2940 N2941 N2942 L2963 | L2371-L2938 HydrophobicContact CD2-CB 3.9Å; T2374-L2938 HydrophobicContact CG2-CD1 3.9Å; L2384-L2938 HydrophobicContact CD2-CD1 3.97Å; L2384-L2938 HydrophobicContact CD2-CD2 4.21Å; L2384-L2938 HydrophobicContact CG-CD2 4.19Å; L2388-L2938 HydrophobicContact CD1-CD2 3.33Å; F2934-L2938 HydrophobicContact CE1-CD2 4.17Å; F2934-L2938 HydrophobicContact CZ-CD2 4.16Å; F2934-L2938 VanDerWaalsContact O-CB 3.3Å; F2934-L2938 WeakPolarHBondContact O-CB 3.33Å; F2934-L2938 PolarHBondContact O-N 3.27Å; I2935-L2938 PolarHBondContact O-N 3.05Å; L2938-N2940 VanDerWaalsContact C-N 3.29Å; L2938-N2940 PolarHBondContact O-N 3.09Å; L2938-N2941 WeakPolarHBondContact O-CB 3.39Å; L2938-N2941 PolarHBondContact O-N 3.21Å; L2938-N2941 VanDerWaalsContact O-N 3.15Å; L2938-N2942 WeakPolarHBondContact CD1-OD1 3.38Å; L2938-N2942 VanDerWaalsContact O-CG 3.31Å; L2938-N2942 PolarHBondContact O-N 3.13Å; L2938-N2942 PolarHBondContact O-OD1 3.15Å; L2938-N2942 VanDerWaalsContact O-OD1 3.05Å; L2938-L2963 HydrophobicContact CD2-CD2 4.19Å; L2938-L2963 HydrophobicContact CG-CD2 4.46Å |
| 2939 | I | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 179 | -69.3 | 169.5 | 0 | 0 | 0 | 110.7 | I2935 Y2936 N2941 N2942 I2943 T2960 L2963 L2964 W2982 L2985 | I2935-I2939 HydrophobicContact CG2-CD1 3.53Å; I2935-I2939 VanDerWaalsContact CG2-CD1 3.5Å; I2935-I2939 HydrophobicContact CG2-CG1 4.31Å; I2935-I2939 WeakPolarHBondContact O-CB 3.44Å; I2935-I2939 WeakPolarHBondContact O-CD1 3.45Å; I2935-I2939 VanDerWaalsContact O-CG1 3.25Å; I2935-I2939 WeakPolarHBondContact O-CG1 3.33Å; I2935-I2939 PolarHBondContact O-N 3.06Å; Y2936-I2939 PolarHBondContact O-N 3.27Å; I2939-N2941 PolarHBondContact O-N 2.98Å; I2939-N2942 PolarHBondContact O-N 3.09Å; I2939-I2943 HydrophobicContact CG2-CD1 3.74Å; I2939-I2943 HydrophobicContact CG2-CG1 4.43Å; I2939-I2943 WeakPolarHBondContact O-CB 3.3Å; I2939-I2943 WeakPolarHBondContact O-CD1 3.36Å; I2939-I2943 VanDerWaalsContact O-CG1 3.24Å; I2939-I2943 WeakPolarHBondContact O-CG1 3.33Å; I2939-I2943 PolarHBondContact O-N 3.32Å; I2939-T2960 HydrophobicContact CB-CG2 4.27Å; I2939-T2960 HydrophobicContact CG1-CG2 4.2Å; I2939-T2960 HydrophobicContact CG2-CG2 3.83Å; I2939-L2963 HydrophobicContact CD1-CD2 4.45Å; I2939-L2963 HydrophobicContact CD1-CG 4.38Å; I2939-L2963 HydrophobicContact CG1-CD2 4.29Å; I2939-L2963 HydrophobicContact CG1-CG 4.38Å; I2939-L2964 HydrophobicContact CD1-CB 3.95Å; I2939-L2964 HydrophobicContact CD1-CD1 3.86Å; I2939-L2964 HydrophobicContact CD1-CG 4.43Å; I2939-W2982 HydrophobicContact CD1-CZ3 4.39Å; I2939-L2985 HydrophobicContact CB-CD1 4.26Å; I2939-L2985 HydrophobicContact CG2-CB 4.35Å; I2939-L2985 HydrophobicContact CG2-CD1 3.88Å; I2939-L2985 HydrophobicContact CG2-CG 4.47Å |
| 2940 | N | 93.5 | Very high | 90 | Very high | 31.2 Ų | 31.2 | 46.7 Ų | 46.7 | 17% | 0.167 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 176.7 | -173.9 | 67.7 | 0 | 0 | 0 | 112.4 | Y2936 N2937 L2938 I2943 Q2944 L2985 K2988 | Y2936-N2940 VanDerWaalsContact O-CB 3.29Å; Y2936-N2940 WeakPolarHBondContact O-CB 3.27Å; Y2936-N2940 PolarHBondContact O-N 3.12Å; N2937-N2940 PolarHBondContact O-N 2.92Å; L2938-N2940 VanDerWaalsContact C-N 3.29Å; L2938-N2940 PolarHBondContact O-N 3.09Å; N2940-I2943 PolarHBondContact O-N 3.24Å; N2940-Q2944 PolarHBondContact ND2-NE2 3.15Å; N2940-Q2944 VanDerWaalsContact ND2-NE2 3.19Å; N2940-Q2944 WeakPolarHBondContact O-CG 3.34Å; N2940-Q2944 PolarHBondContact O-N 3.25Å; N2940-Q2944 VanDerWaalsContact O-N 3.1Å; N2940-L2985 HydrophobicContact CB-CD2 3.88Å; N2940-K2988 PolarHBondContact OD1-NZ 3.1Å |
| 2941 | N | 92 | Very high | 89.5 | Confident | 50 Ų | 50 | 48.1 Ų | 48.1 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 173.8 | -73.7 | -20.2 | 0 | 0 | 0 | 111.7 | L2371 T2374 N2937 L2938 I2939 I2943 Q2944 L2945 | L2371-N2941 PolarHBondContact O-ND2 3.05Å; T2374-N2941 PolarHBondContact OG1-ND2 2.87Å; N2937-N2941 WeakPolarHBondContact O-CB 3.45Å; N2937-N2941 VanDerWaalsContact O-CG 3.26Å; N2937-N2941 PolarHBondContact O-N 3.03Å; N2937-N2941 PolarHBondContact O-ND2 3.19Å; N2937-N2941 PolarHBondContact O-OD1 3.37Å; L2938-N2941 WeakPolarHBondContact O-CB 3.39Å; L2938-N2941 PolarHBondContact O-N 3.21Å; L2938-N2941 VanDerWaalsContact O-N 3.15Å; I2939-N2941 PolarHBondContact O-N 2.98Å; N2941-I2943 VanDerWaalsContact C-N 3.32Å; N2941-I2943 PolarHBondContact O-N 3.22Å; N2941-Q2944 WeakPolarHBondContact O-CB 3.37Å; N2941-Q2944 PolarHBondContact O-N 2.95Å; N2941-Q2944 VanDerWaalsContact O-N 3.13Å; N2941-L2945 WeakPolarHBondContact O-CG 3.36Å; N2941-L2945 PolarHBondContact O-N 3.23Å; N2941-L2945 VanDerWaalsContact O-N 3.07Å |
| 2942 | N | 92.9 | Very high | 88.9 | Confident | 11.2 Ų | 11.2 | 50 Ų | 50 | 6% | 0.06 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 177.3 | -67.5 | 0.2 | 0 | 0 | 0 | 111.7 | S2381 T2385 L2938 I2939 Q2944 L2945 C2946 L2956 T2960 | S2381-N2942 VanDerWaalsContact OG-CG 3.28Å; S2381-N2942 PolarHBondContact OG-OD1 3.14Å; T2385-N2942 PolarHBondContact OG1-ND2 3.17Å; L2938-N2942 WeakPolarHBondContact CD1-OD1 3.38Å; L2938-N2942 VanDerWaalsContact O-CG 3.31Å; L2938-N2942 PolarHBondContact O-N 3.13Å; L2938-N2942 PolarHBondContact O-OD1 3.15Å; L2938-N2942 VanDerWaalsContact O-OD1 3.05Å; I2939-N2942 PolarHBondContact O-N 3.09Å; N2942-Q2944 VanDerWaalsContact C-N 3.34Å; N2942-Q2944 PolarHBondContact O-N 3.14Å; N2942-L2945 PolarHBondContact O-N 3.27Å; N2942-C2946 WeakPolarHBondContact O-CB 3.37Å; N2942-C2946 PolarHBondContact O-N 3.01Å; N2942-C2946 PolarHBondContact O-SG 3.19Å; N2942-L2956 HydrophobicContact CB-CD1 4.29Å; N2942-L2956 HydrophobicContact CB-CD2 4.37Å; N2942-L2956 HydrophobicContact CB-CG 4.3Å; N2942-T2960 HydrophobicContact CB-CG2 3.9Å; N2942-T2960 VanDerWaalsContact CB-OG1 3.26Å; N2942-T2960 WeakPolarHBondContact CB-OG1 3.39Å; N2942-T2960 PolarHBondContact ND2-OG1 3.27Å |
| 2943 | I | 91.2 | Very high | 88.6 | Confident | 1.2 Ų | 1.2 | 52.4 Ų | 52.4 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 174.4 | -75 | 166.3 | 0 | 0 | 0 | 110.9 | I2939 N2940 N2941 L2945 C2946 M2947 T2960 L2985 K2988 L2989 I2992 | I2939-I2943 HydrophobicContact CG2-CD1 3.74Å; I2939-I2943 HydrophobicContact CG2-CG1 4.43Å; I2939-I2943 WeakPolarHBondContact O-CB 3.3Å; I2939-I2943 WeakPolarHBondContact O-CD1 3.36Å; I2939-I2943 VanDerWaalsContact O-CG1 3.24Å; I2939-I2943 WeakPolarHBondContact O-CG1 3.33Å; I2939-I2943 PolarHBondContact O-N 3.32Å; N2940-I2943 PolarHBondContact O-N 3.24Å; N2941-I2943 VanDerWaalsContact C-N 3.32Å; N2941-I2943 PolarHBondContact O-N 3.22Å; I2943-L2945 VanDerWaalsContact C-N 3.32Å; I2943-L2945 PolarHBondContact O-N 3.23Å; I2943-C2946 WeakPolarHBondContact O-CB 3.26Å; I2943-C2946 PolarHBondContact O-N 3.16Å; I2943-C2946 VanDerWaalsContact O-N 3.15Å; I2943-M2947 HydrophobicContact CG2-CE 3.92Å; I2943-M2947 HydrophobicContact CG2-SD 4.13Å; I2943-M2947 WeakPolarHBondContact O-CB 3.47Å; I2943-M2947 VanDerWaalsContact O-CG 3.3Å; I2943-M2947 WeakPolarHBondContact O-CG 3.32Å; I2943-M2947 PolarHBondContact O-N 3.18Å; I2943-T2960 HydrophobicContact CG1-CG2 4.15Å; I2943-L2985 HydrophobicContact CD1-CB 4.15Å; I2943-L2985 HydrophobicContact CD1-CD2 4.06Å; I2943-L2985 WeakPolarHBondContact CD1-O 3.34Å; I2943-K2988 HydrophobicContact CD1-CB 4.27Å; I2943-K2988 HydrophobicContact CG2-CB 3.78Å; I2943-K2988 HydrophobicContact CG2-CD 4.23Å; I2943-K2988 HydrophobicContact CG2-CG 4.29Å; I2943-L2989 HydrophobicContact CD1-CB 4Å; I2943-L2989 HydrophobicContact CG1-CB 4.04Å; I2943-L2989 HydrophobicContact CG1-CD1 4.09Å; I2943-I2992 HydrophobicContact CG2-CD1 4.34Å |
| 2944 | Q | 90.2 | Very high | 88.4 | Confident | 101 Ų | 101 | 49.4 Ų | 49.4 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 176.7 | -71 | -173.7 | -6 | 0 | 0 | 111.7 | N2940 N2941 N2942 M2947 T2948 | N2940-Q2944 PolarHBondContact ND2-NE2 3.15Å; N2940-Q2944 VanDerWaalsContact ND2-NE2 3.19Å; N2940-Q2944 WeakPolarHBondContact O-CG 3.34Å; N2940-Q2944 PolarHBondContact O-N 3.25Å; N2940-Q2944 VanDerWaalsContact O-N 3.1Å; N2941-Q2944 WeakPolarHBondContact O-CB 3.37Å; N2941-Q2944 PolarHBondContact O-N 2.95Å; N2941-Q2944 VanDerWaalsContact O-N 3.13Å; N2942-Q2944 VanDerWaalsContact C-N 3.34Å; N2942-Q2944 PolarHBondContact O-N 3.14Å; Q2944-M2947 PolarHBondContact O-N 3.19Å; Q2944-T2948 PolarHBondContact O-N 3.27Å |
| 2945 | L | 88.7 | Confident | 88.2 | Confident | 41.2 Ų | 41.2 | 51.4 Ų | 51.4 | 22% | 0.216 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 174.3 | -68.9 | 170 | 0 | 0 | 0 | 111.1 | N2941 N2942 I2943 M2947 T2948 Y2953 L2956 | N2941-L2945 WeakPolarHBondContact O-CG 3.36Å; N2941-L2945 PolarHBondContact O-N 3.23Å; N2941-L2945 VanDerWaalsContact O-N 3.07Å; N2942-L2945 PolarHBondContact O-N 3.27Å; I2943-L2945 VanDerWaalsContact C-N 3.32Å; I2943-L2945 PolarHBondContact O-N 3.23Å; L2945-M2947 VanDerWaalsContact C-N 3.26Å; L2945-M2947 PolarHBondContact O-N 3.11Å; L2945-T2948 PolarHBondContact O-N 3.2Å; L2945-T2948 VanDerWaalsContact O-N 3.07Å; L2945-T2948 PolarHBondContact O-OG1 3.14Å; L2945-Y2953 VanDerWaalsContact O-CD2 3.25Å; L2945-Y2953 WeakPolarHBondContact O-CD2 3.37Å; L2945-L2956 HydrophobicContact CB-CD2 4.11Å; L2945-L2956 HydrophobicContact CD1-CD2 4.17Å |
| 2946 | C | 88.5 | Confident | 88 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -30.7 | 178.4 | -65.7 | 0 | 0 | 0 | 0 | 113.4 | N2942 I2943 T2948 N2949 S2950 Y2953 G2957 I2992 | N2942-C2946 WeakPolarHBondContact O-CB 3.37Å; N2942-C2946 PolarHBondContact O-N 3.01Å; N2942-C2946 PolarHBondContact O-SG 3.19Å; I2943-C2946 WeakPolarHBondContact O-CB 3.26Å; I2943-C2946 PolarHBondContact O-N 3.16Å; I2943-C2946 VanDerWaalsContact O-N 3.15Å; C2946-T2948 VanDerWaalsContact C-N 3.34Å; C2946-T2948 PolarHBondContact O-N 2.68Å; C2946-N2949 CarbonylContact O-C 3.54Å; C2946-S2950 VanDerWaalsContact O-CA 3.26Å; C2946-S2950 WeakPolarHBondContact O-CA 3.39Å; C2946-S2950 PolarHBondContact O-N 3.2Å; C2946-Y2953 PolarHBondContact SG-O 3.14Å; C2946-Y2953 VanDerWaalsContact SG-O 3.42Å; C2946-G2957 PolarHBondContact SG-N 2.95Å; C2946-I2992 HydrophobicContact CB-CD1 3.51Å; C2946-I2992 VanDerWaalsContact CB-CD1 3.49Å; C2946-I2992 HydrophobicContact CB-CG2 4.26Å; C2946-I2992 WeakPolarHBondContact O-CG2 3.1Å |
| 2947 | M | 86.6 | Confident | 87.9 | Confident | 95.6 Ų | 95.6 | 49.3 Ų | 49.3 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -71.3 | -25.8 | 173.9 | -74.5 | 177.1 | 169.5 | 0 | 0 | 113.6 | I2943 Q2944 L2945 K2988 I2992 | I2943-M2947 HydrophobicContact CG2-CE 3.92Å; I2943-M2947 HydrophobicContact CG2-SD 4.13Å; I2943-M2947 WeakPolarHBondContact O-CB 3.47Å; I2943-M2947 VanDerWaalsContact O-CG 3.3Å; I2943-M2947 WeakPolarHBondContact O-CG 3.32Å; I2943-M2947 PolarHBondContact O-N 3.18Å; Q2944-M2947 PolarHBondContact O-N 3.19Å; L2945-M2947 VanDerWaalsContact C-N 3.26Å; L2945-M2947 PolarHBondContact O-N 3.11Å; M2947-K2988 HydrophobicContact CE-CB 3.87Å; M2947-K2988 HydrophobicContact CE-CG 4.22Å; M2947-K2988 WeakPolarHBondContact CE-O 3.31Å; M2947-I2992 HydrophobicContact CE-CD1 4.48Å; M2947-I2992 HydrophobicContact CE-CG1 4.32Å; M2947-I2992 HydrophobicContact CG-CD1 3.94Å; M2947-I2992 HydrophobicContact CG-CG1 4.04Å |
| 2948 | T | 86.3 | Confident | 87.7 | Confident | 108.2 Ų | 108.2 | 48.7 Ų | 48.7 | 66% | 0.664 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -75 | -35.3 | 178.4 | 63.9 | 0 | 0 | 0 | 0 | 113.5 | Q2944 L2945 C2946 | Q2944-T2948 PolarHBondContact O-N 3.27Å; L2945-T2948 PolarHBondContact O-N 3.2Å; L2945-T2948 VanDerWaalsContact O-N 3.07Å; L2945-T2948 PolarHBondContact O-OG1 3.14Å; C2946-T2948 VanDerWaalsContact C-N 3.34Å; C2946-T2948 PolarHBondContact O-N 2.68Å |
| 2949 | N | 82.5 | Confident | 87.5 | Confident | 68.6 Ų | 68.6 | 50.4 Ų | 50.4 | 37% | 0.367 | 28% | 0.278 | S | S | . | . | trans | -150 | 89.7 | 175.2 | -171.3 | -20.2 | 0 | 0 | 0 | 110.5 | C2946 S2951 A2952 Y2953 | C2946-N2949 CarbonylContact O-C 3.54Å; N2949-S2951 VanDerWaalsContact C-N 3.3Å; N2949-S2951 PolarHBondContact O-N 3.18Å; N2949-S2951 PolarHBondContact OD1-N 3.15Å; N2949-S2951 PolarHBondContact OD1-OG 3.17Å; N2949-S2951 VanDerWaalsContact OD1-OG 3.12Å; N2949-A2952 HydrophobicContact CB-CB 4.16Å; N2949-A2952 VanDerWaalsContact CG-CB 3.45Å; N2949-A2952 WeakPolarHBondContact ND2-CB 3.33Å; N2949-A2952 PolarHBondContact O-N 3.23Å; N2949-A2952 WeakPolarHBondContact OD1-CB 3.48Å; N2949-A2952 PolarHBondContact OD1-N 2.99Å; N2949-A2952 VanDerWaalsContact OD1-N 3.11Å; N2949-Y2953 HydrophobicContact CB-CD2 3.95Å; N2949-Y2953 HydrophobicContact CB-CE2 3.86Å; N2949-Y2953 VanDerWaalsContact O-CD2 3.27Å; N2949-Y2953 WeakPolarHBondContact O-CD2 3.31Å; N2949-Y2953 PolarHBondContact O-N 3.09Å; N2949-Y2953 VanDerWaalsContact O-N 3.12Å | ||
| 2950 | S | 77.5 | Confident | 87.4 | Confident | 45.8 Ų | 45.8 | 50.4 Ų | 50.4 | 32% | 0.32 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.6 | -174.8 | 166.1 | 0 | 0 | 0 | 0 | 113.7 | C2946 Q2954 I2992 S2993 | C2946-S2950 VanDerWaalsContact O-CA 3.26Å; C2946-S2950 WeakPolarHBondContact O-CA 3.39Å; C2946-S2950 PolarHBondContact O-N 3.2Å; S2950-Q2954 PolarHBondContact O-N 2.93Å; S2950-I2992 WeakPolarHBondContact OG-CG2 3.41Å; S2950-I2992 PolarHBondContact OG-O 3.42Å; S2950-I2992 VanDerWaalsContact OG-O 3.11Å; S2950-S2993 WeakPolarHBondContact OG-CB 3.38Å |
| 2951 | S | 77.5 | Confident | 87.3 | Confident | 94.6 Ų | 94.6 | 48.9 Ų | 48.9 | 66% | 0.662 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -44.7 | 178.9 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | N2949 Y2953 Q2954 | N2949-S2951 VanDerWaalsContact C-N 3.3Å; N2949-S2951 PolarHBondContact O-N 3.18Å; N2949-S2951 PolarHBondContact OD1-N 3.15Å; N2949-S2951 PolarHBondContact OD1-OG 3.17Å; N2949-S2951 VanDerWaalsContact OD1-OG 3.12Å; S2951-Y2953 VanDerWaalsContact C-N 3.33Å; S2951-Y2953 PolarHBondContact O-N 3.28Å; S2951-Q2954 PolarHBondContact O-N 2.7Å |
| 2952 | A | 78.7 | Confident | 87.2 | Confident | 58.4 Ų | 58.4 | 50.4 Ų | 50.4 | 48% | 0.483 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -33.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N2949 | N2949-A2952 HydrophobicContact CB-CB 4.16Å; N2949-A2952 VanDerWaalsContact CG-CB 3.45Å; N2949-A2952 WeakPolarHBondContact ND2-CB 3.33Å; N2949-A2952 PolarHBondContact O-N 3.23Å; N2949-A2952 WeakPolarHBondContact OD1-CB 3.48Å; N2949-A2952 PolarHBondContact OD1-N 2.99Å; N2949-A2952 VanDerWaalsContact OD1-N 3.11Å |
| 2953 | Y | 83.5 | Confident | 87.1 | Confident | 64.6 Ų | 64.6 | 51 Ų | 51 | 25% | 0.253 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 18.3 | -174.5 | -55.5 | -50.8 | 0 | 0 | 0 | 113.9 | P2378 L2945 C2946 N2949 S2951 N2955 L2956 G2957 | P2378-Y2953 HydrophobicContact CB-CD1 3.67Å; P2378-Y2953 HydrophobicContact CB-CE1 3.36Å; P2378-Y2953 HydrophobicContact CB-CG 4.39Å; P2378-Y2953 HydrophobicContact CG-CD1 4.31Å; P2378-Y2953 HydrophobicContact CG-CE1 3.49Å; P2378-Y2953 VanDerWaalsContact CG-CE1 3.46Å; L2945-Y2953 VanDerWaalsContact O-CD2 3.25Å; L2945-Y2953 WeakPolarHBondContact O-CD2 3.37Å; C2946-Y2953 PolarHBondContact SG-O 3.14Å; C2946-Y2953 VanDerWaalsContact SG-O 3.42Å; N2949-Y2953 HydrophobicContact CB-CD2 3.95Å; N2949-Y2953 HydrophobicContact CB-CE2 3.86Å; N2949-Y2953 VanDerWaalsContact O-CD2 3.27Å; N2949-Y2953 WeakPolarHBondContact O-CD2 3.31Å; N2949-Y2953 PolarHBondContact O-N 3.09Å; N2949-Y2953 VanDerWaalsContact O-N 3.12Å; S2951-Y2953 VanDerWaalsContact C-N 3.33Å; S2951-Y2953 PolarHBondContact O-N 3.28Å; Y2953-N2955 VanDerWaalsContact C-N 3.28Å; Y2953-N2955 PolarHBondContact O-N 3.28Å; Y2953-L2956 HydrophobicContact CD1-CD2 4.2Å; Y2953-L2956 WeakPolarHBondContact O-CA 3.45Å; Y2953-L2956 WeakPolarHBondContact O-CB 3.43Å; Y2953-L2956 PolarHBondContact O-N 3.31Å; Y2953-L2956 VanDerWaalsContact O-N 3.12Å; Y2953-G2957 PolarHBondContact O-N 3.14Å |
| 2954 | Q | 85.8 | Confident | 87.1 | Confident | 65.4 Ų | 65.4 | 50.9 Ų | 50.9 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.8 | -41.4 | 179.1 | -172.8 | 179.3 | -42.1 | 0 | 0 | 112.6 | S2950 S2951 L2956 G2957 F2958 P2995 | S2950-Q2954 PolarHBondContact O-N 2.93Å; S2951-Q2954 PolarHBondContact O-N 2.7Å; Q2954-L2956 VanDerWaalsContact C-N 3.34Å; Q2954-L2956 PolarHBondContact O-N 3.41Å; Q2954-G2957 WeakPolarHBondContact O-CA 3.32Å; Q2954-G2957 PolarHBondContact O-N 3.3Å; Q2954-G2957 VanDerWaalsContact O-N 3.15Å; Q2954-F2958 HydrophobicContact CG-CD2 4.49Å; Q2954-F2958 HydrophobicContact CG-CE1 4.24Å; Q2954-F2958 HydrophobicContact CG-CE2 3.91Å; Q2954-F2958 HydrophobicContact CG-CZ 3.84Å; Q2954-F2958 VanDerWaalsContact NE2-CZ 3.32Å; Q2954-F2958 WeakPolarHBondContact O-CD2 3.36Å; Q2954-F2958 WeakPolarHBondContact O-CG 3.46Å; Q2954-F2958 PolarHBondContact O-N 3.17Å; Q2954-F2958 VanDerWaalsContact O-N 3.09Å; Q2954-P2995 HydrophobicContact CG-CB 4.34Å |
| 2955 | N | 87.5 | Confident | 87 | Confident | 94.4 Ų | 94.4 | 46.4 Ų | 46.4 | 51% | 0.505 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 176.7 | -71.2 | -21.6 | 0 | 0 | 0 | 112.5 | Y2953 G2957 F2958 I2959 | Y2953-N2955 VanDerWaalsContact C-N 3.28Å; Y2953-N2955 PolarHBondContact O-N 3.28Å; N2955-G2957 VanDerWaalsContact C-N 3.28Å; N2955-G2957 PolarHBondContact O-N 3.14Å; N2955-F2958 PolarHBondContact O-N 3.21Å; N2955-I2959 WeakPolarHBondContact O-CG1 3.38Å; N2955-I2959 PolarHBondContact O-N 3.24Å; N2955-I2959 VanDerWaalsContact O-N 3.08Å |
| 2956 | L | 89.9 | Confident | 86.9 | Confident | 17.6 Ų | 17.6 | 47.6 Ų | 47.6 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -39 | 173.4 | 177.4 | 62.5 | 0 | 0 | 0 | 110.8 | S2381 Q2382 N2942 L2945 Y2953 Q2954 F2958 I2959 T2960 | S2381-L2956 VanDerWaalsContact OG-CD1 3.26Å; S2381-L2956 WeakPolarHBondContact OG-CD1 3.44Å; S2381-L2956 WeakPolarHBondContact OG-CD2 3.44Å; Q2382-L2956 HydrophobicContact CB-CD1 4.24Å; N2942-L2956 HydrophobicContact CB-CD1 4.29Å; N2942-L2956 HydrophobicContact CB-CD2 4.37Å; N2942-L2956 HydrophobicContact CB-CG 4.3Å; L2945-L2956 HydrophobicContact CB-CD2 4.11Å; L2945-L2956 HydrophobicContact CD1-CD2 4.17Å; Y2953-L2956 HydrophobicContact CD1-CD2 4.2Å; Y2953-L2956 WeakPolarHBondContact O-CA 3.45Å; Y2953-L2956 WeakPolarHBondContact O-CB 3.43Å; Y2953-L2956 PolarHBondContact O-N 3.31Å; Y2953-L2956 VanDerWaalsContact O-N 3.12Å; Q2954-L2956 VanDerWaalsContact C-N 3.34Å; Q2954-L2956 PolarHBondContact O-N 3.41Å; L2956-F2958 PolarHBondContact O-N 3.16Å; L2956-I2959 PolarHBondContact O-N 3.08Å; L2956-T2960 VanDerWaalsContact O-CB 3.23Å; L2956-T2960 WeakPolarHBondContact O-CB 3.34Å; L2956-T2960 PolarHBondContact O-N 3.16Å; L2956-T2960 PolarHBondContact O-OG1 3.26Å |
| 2957 | G | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C2946 Y2953 Q2954 N2955 T2960 L2961 | C2946-G2957 PolarHBondContact SG-N 2.95Å; Y2953-G2957 PolarHBondContact O-N 3.14Å; Q2954-G2957 WeakPolarHBondContact O-CA 3.32Å; Q2954-G2957 PolarHBondContact O-N 3.3Å; Q2954-G2957 VanDerWaalsContact O-N 3.15Å; N2955-G2957 VanDerWaalsContact C-N 3.28Å; N2955-G2957 PolarHBondContact O-N 3.14Å; G2957-T2960 PolarHBondContact O-N 3.09Å; G2957-L2961 WeakPolarHBondContact O-CB 3.33Å; G2957-L2961 PolarHBondContact O-N 3.17Å; G2957-L2961 VanDerWaalsContact O-N 3.08Å |
| 2958 | F | 90.6 | Very high | 86.7 | Confident | 47.8 Ų | 47.8 | 43.4 Ų | 43.4 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | 175.6 | -63.5 | -34.4 | 0 | 0 | 0 | 112.8 | Q2954 N2955 L2956 T2960 L2961 E2962 P2995 I2996 Q2999 | Q2954-F2958 HydrophobicContact CG-CD2 4.49Å; Q2954-F2958 HydrophobicContact CG-CE1 4.24Å; Q2954-F2958 HydrophobicContact CG-CE2 3.91Å; Q2954-F2958 HydrophobicContact CG-CZ 3.84Å; Q2954-F2958 VanDerWaalsContact NE2-CZ 3.32Å; Q2954-F2958 WeakPolarHBondContact O-CD2 3.36Å; Q2954-F2958 WeakPolarHBondContact O-CG 3.46Å; Q2954-F2958 PolarHBondContact O-N 3.17Å; Q2954-F2958 VanDerWaalsContact O-N 3.09Å; N2955-F2958 PolarHBondContact O-N 3.21Å; L2956-F2958 PolarHBondContact O-N 3.16Å; F2958-T2960 VanDerWaalsContact C-N 3.29Å; F2958-T2960 PolarHBondContact O-N 3.11Å; F2958-L2961 WeakPolarHBondContact O-CB 3.32Å; F2958-L2961 PolarHBondContact O-N 3.17Å; F2958-L2961 VanDerWaalsContact O-N 3.15Å; F2958-E2962 PolarHBondContact O-N 3.07Å; F2958-P2995 HydrophobicContact CE1-CB 4.02Å; F2958-P2995 WeakPolarHBondContact CE1-O 3.37Å; F2958-P2995 HydrophobicContact CZ-CB 3.8Å; F2958-I2996 HydrophobicContact CD1-CG1 4.08Å; F2958-I2996 HydrophobicContact CE1-CG1 4.08Å; F2958-Q2999 HydrophobicContact CB-CG 4.33Å; F2958-Q2999 HydrophobicContact CD1-CB 3.95Å; F2958-Q2999 HydrophobicContact CD1-CG 4.09Å; F2958-Q2999 HydrophobicContact CE1-CB 3.98Å; F2958-Q2999 HydrophobicContact CG-CB 4.47Å; F2958-Q2999 HydrophobicContact CG-CG 4.19Å |
| 2959 | I | 89.4 | Confident | 86.3 | Confident | 60.6 Ų | 60.6 | 40 Ų | 40 | 31% | 0.311 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.4 | -37 | -179.5 | -61.1 | 163.9 | 0 | 0 | 0 | 110.6 | Q2382 T2385 N2955 L2956 L2961 E2962 L2963 | Q2382-I2959 HydrophobicContact CG-CD1 4.04Å; T2385-I2959 HydrophobicContact CG2-CG2 3.81Å; N2955-I2959 WeakPolarHBondContact O-CG1 3.38Å; N2955-I2959 PolarHBondContact O-N 3.24Å; N2955-I2959 VanDerWaalsContact O-N 3.08Å; L2956-I2959 PolarHBondContact O-N 3.08Å; I2959-L2961 VanDerWaalsContact C-N 3.33Å; I2959-L2961 PolarHBondContact O-N 3.14Å; I2959-E2962 PolarHBondContact O-N 3.19Å; I2959-L2963 WeakPolarHBondContact O-CB 3.28Å; I2959-L2963 PolarHBondContact O-N 3.22Å |
| 2960 | T | 93 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | I2939 N2942 I2943 L2956 G2957 F2958 L2964 L2989 | I2939-T2960 HydrophobicContact CB-CG2 4.27Å; I2939-T2960 HydrophobicContact CG1-CG2 4.2Å; I2939-T2960 HydrophobicContact CG2-CG2 3.83Å; N2942-T2960 HydrophobicContact CB-CG2 3.9Å; N2942-T2960 VanDerWaalsContact CB-OG1 3.26Å; N2942-T2960 WeakPolarHBondContact CB-OG1 3.39Å; N2942-T2960 PolarHBondContact ND2-OG1 3.27Å; I2943-T2960 HydrophobicContact CG1-CG2 4.15Å; L2956-T2960 VanDerWaalsContact O-CB 3.23Å; L2956-T2960 WeakPolarHBondContact O-CB 3.34Å; L2956-T2960 PolarHBondContact O-N 3.16Å; L2956-T2960 PolarHBondContact O-OG1 3.26Å; G2957-T2960 PolarHBondContact O-N 3.09Å; F2958-T2960 VanDerWaalsContact C-N 3.29Å; F2958-T2960 PolarHBondContact O-N 3.11Å; T2960-L2964 VanDerWaalsContact O-CB 3.29Å; T2960-L2964 WeakPolarHBondContact O-CB 3.43Å; T2960-L2964 PolarHBondContact O-N 3.29Å; T2960-L2989 HydrophobicContact CG2-CD1 4.45Å; T2960-L2989 HydrophobicContact CG2-CD2 4.19Å |
| 2961 | L | 91.7 | Very high | 86.3 | Confident | 0.6 Ų | 0.6 | 37.4 Ų | 37.4 | 0% | 0.003 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 175.2 | 176.3 | 66.5 | 0 | 0 | 0 | 111.7 | G2957 F2958 I2959 L2963 L2964 L2965 F2986 L2989 I2990 I2996 Q2999 L3000 | G2957-L2961 WeakPolarHBondContact O-CB 3.33Å; G2957-L2961 PolarHBondContact O-N 3.17Å; G2957-L2961 VanDerWaalsContact O-N 3.08Å; F2958-L2961 WeakPolarHBondContact O-CB 3.32Å; F2958-L2961 PolarHBondContact O-N 3.17Å; F2958-L2961 VanDerWaalsContact O-N 3.15Å; I2959-L2961 VanDerWaalsContact C-N 3.33Å; I2959-L2961 PolarHBondContact O-N 3.14Å; L2961-L2963 VanDerWaalsContact C-N 3.35Å; L2961-L2964 PolarHBondContact O-N 3.31Å; L2961-L2965 HydrophobicContact CD1-CD1 4.1Å; L2961-L2965 HydrophobicContact CD1-CG 4.25Å; L2961-L2965 HydrophobicContact CG-CD1 4.12Å; L2961-L2965 WeakPolarHBondContact O-CB 3.39Å; L2961-L2965 WeakPolarHBondContact O-CG 3.31Å; L2961-L2965 PolarHBondContact O-N 3.14Å; L2961-F2986 HydrophobicContact CD1-CD1 4.39Å; L2961-F2986 HydrophobicContact CD1-CE1 4.29Å; L2961-L2989 HydrophobicContact CB-CD2 3.88Å; L2961-L2989 HydrophobicContact CD1-CD2 4.1Å; L2961-I2990 HydrophobicContact CD1-CG2 4.44Å; L2961-I2996 HydrophobicContact CD2-CG2 4.33Å; L2961-Q2999 HydrophobicContact CD2-CB 3.97Å; L2961-Q2999 HydrophobicContact CD2-CG 3.97Å; L2961-L3000 HydrophobicContact CD1-CB 4.21Å; L2961-L3000 HydrophobicContact CD1-CD1 3.97Å; L2961-L3000 HydrophobicContact CD1-CG 4.44Å; L2961-L3000 HydrophobicContact CD2-CB 3.94Å |
| 2962 | E | 89.4 | Confident | 86.4 | Confident | 81.2 Ų | 81.2 | 34.5 Ų | 34.5 | 38% | 0.379 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63 | -44.9 | 177.8 | -109 | 176.5 | 176.7 | 0 | 0 | 111.3 | Y2389 F2958 I2959 L2964 L2965 H2966 Q2999 T3003 | Y2389-E2962 HydrophobicContact CD2-CB 4.4Å; Y2389-E2962 HydrophobicContact CE2-CB 4.16Å; F2958-E2962 PolarHBondContact O-N 3.07Å; I2959-E2962 PolarHBondContact O-N 3.19Å; E2962-L2964 VanDerWaalsContact C-N 3.35Å; E2962-L2964 PolarHBondContact O-N 3.16Å; E2962-L2965 PolarHBondContact O-N 3.15Å; E2962-H2966 VanDerWaalsContact O-CB 3.28Å; E2962-H2966 WeakPolarHBondContact O-CB 3.44Å; E2962-H2966 PolarHBondContact O-N 3.15Å; E2962-H2966 PolarHBondContact O-ND1 3.17Å; E2962-Q2999 PolarHBondContact OE1-NE2 3.18Å; E2962-Q2999 VanDerWaalsContact OE1-NE2 3.1Å; E2962-T3003 HydrophobicContact CG-CG2 4.43Å |
| 2963 | L | 90.9 | Very high | 86.2 | Confident | 22.6 Ų | 22.6 | 35.3 Ų | 35.3 | 12% | 0.118 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 173.6 | -178.6 | 64.7 | 0 | 0 | 0 | 112 | T2385 L2388 F2393 I2935 L2938 I2939 I2959 L2961 L2965 H2966 F2967 | T2385-L2963 HydrophobicContact CG2-CB 4.21Å; T2385-L2963 HydrophobicContact CG2-CD2 3.62Å; L2388-L2963 HydrophobicContact CB-CD1 4.36Å; F2393-L2963 HydrophobicContact CD2-CD1 3.44Å; F2393-L2963 HydrophobicContact CE2-CD1 3.38Å; F2393-L2963 VanDerWaalsContact CE2-CD1 3.46Å; F2393-L2963 HydrophobicContact CG-CD1 4.31Å; F2393-L2963 HydrophobicContact CZ-CD1 4.34Å; I2935-L2963 HydrophobicContact CD1-CD1 4.4Å; I2935-L2963 HydrophobicContact CD1-CD2 4.24Å; L2938-L2963 HydrophobicContact CD2-CD2 4.19Å; L2938-L2963 HydrophobicContact CG-CD2 4.46Å; I2939-L2963 HydrophobicContact CD1-CD2 4.45Å; I2939-L2963 HydrophobicContact CD1-CG 4.38Å; I2939-L2963 HydrophobicContact CG1-CD2 4.29Å; I2939-L2963 HydrophobicContact CG1-CG 4.38Å; I2959-L2963 WeakPolarHBondContact O-CB 3.28Å; I2959-L2963 PolarHBondContact O-N 3.22Å; L2961-L2963 VanDerWaalsContact C-N 3.35Å; L2963-L2965 PolarHBondContact O-N 3.32Å; L2963-H2966 PolarHBondContact O-N 3.14Å; L2963-F2967 VanDerWaalsContact O-CB 3.26Å; L2963-F2967 WeakPolarHBondContact O-CB 3.39Å; L2963-F2967 PolarHBondContact O-N 3.14Å |
| 2964 | L | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 178.9 | -179.7 | 58 | 0 | 0 | 0 | 111.6 | I2939 T2960 L2961 E2962 F2967 I2968 W2982 L2985 F2986 L2989 | I2939-L2964 HydrophobicContact CD1-CB 3.95Å; I2939-L2964 HydrophobicContact CD1-CD1 3.86Å; I2939-L2964 HydrophobicContact CD1-CG 4.43Å; T2960-L2964 VanDerWaalsContact O-CB 3.29Å; T2960-L2964 WeakPolarHBondContact O-CB 3.43Å; T2960-L2964 PolarHBondContact O-N 3.29Å; L2961-L2964 PolarHBondContact O-N 3.31Å; E2962-L2964 VanDerWaalsContact C-N 3.35Å; E2962-L2964 PolarHBondContact O-N 3.16Å; L2964-F2967 PolarHBondContact O-N 3.45Å; L2964-I2968 HydrophobicContact CD1-CD1 3.57Å; L2964-I2968 VanDerWaalsContact CD1-CD1 3.49Å; L2964-I2968 HydrophobicContact CD1-CG1 4.2Å; L2964-I2968 HydrophobicContact CG-CD1 3.98Å; L2964-I2968 WeakPolarHBondContact O-CB 3.32Å; L2964-I2968 VanDerWaalsContact O-CD1 3.29Å; L2964-I2968 WeakPolarHBondContact O-CD1 3.43Å; L2964-I2968 VanDerWaalsContact O-CG1 3.27Å; L2964-I2968 WeakPolarHBondContact O-CG1 3.31Å; L2964-I2968 PolarHBondContact O-N 3.19Å; L2964-W2982 HydrophobicContact CD1-CE3 3.81Å; L2964-W2982 HydrophobicContact CD1-CZ3 4.08Å; L2964-L2985 HydrophobicContact CD2-CB 4.49Å; L2964-F2986 HydrophobicContact CD2-CB 4.48Å; L2964-F2986 HydrophobicContact CD2-CD1 3.44Å; L2964-F2986 VanDerWaalsContact CD2-CD1 3.42Å; L2964-F2986 HydrophobicContact CD2-CD2 4.19Å; L2964-F2986 HydrophobicContact CD2-CE1 3.58Å; L2964-F2986 VanDerWaalsContact CD2-CE1 3.42Å; L2964-F2986 HydrophobicContact CD2-CE2 4.34Å; L2964-F2986 HydrophobicContact CD2-CG 3.76Å; L2964-F2986 HydrophobicContact CD2-CZ 4.05Å; L2964-F2986 HydrophobicContact CG-CD1 4.21Å; L2964-F2986 HydrophobicContact CG-CE1 3.83Å; L2964-F2986 HydrophobicContact CG-CE2 4.31Å; L2964-F2986 HydrophobicContact CG-CG 4.49Å; L2964-F2986 HydrophobicContact CG-CZ 3.9Å; L2964-L2989 HydrophobicContact CD2-CD2 4.23Å |
| 2965 | L | 88.1 | Confident | 85.6 | Confident | 5.4 Ų | 5.4 | 30.6 Ų | 30.6 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -49.7 | 177.8 | -72.8 | 169.7 | 0 | 0 | 0 | 111.6 | L2961 E2962 L2963 F2967 I2968 F2969 F2986 L3000 T3003 M3004 | L2961-L2965 HydrophobicContact CD1-CD1 4.1Å; L2961-L2965 HydrophobicContact CD1-CG 4.25Å; L2961-L2965 HydrophobicContact CG-CD1 4.12Å; L2961-L2965 WeakPolarHBondContact O-CB 3.39Å; L2961-L2965 WeakPolarHBondContact O-CG 3.31Å; L2961-L2965 PolarHBondContact O-N 3.14Å; E2962-L2965 PolarHBondContact O-N 3.15Å; L2963-L2965 PolarHBondContact O-N 3.32Å; L2965-F2967 VanDerWaalsContact C-N 3.35Å; L2965-F2967 PolarHBondContact O-N 3.16Å; L2965-I2968 PolarHBondContact O-N 3.2Å; L2965-I2968 VanDerWaalsContact O-N 3.17Å; L2965-F2969 HydrophobicContact CD2-CE2 4.38Å; L2965-F2969 VanDerWaalsContact O-CD2 3.24Å; L2965-F2969 WeakPolarHBondContact O-CD2 3.39Å; L2965-F2969 PolarHBondContact O-N 3.12Å; L2965-F2969 VanDerWaalsContact O-N 3.11Å; L2965-F2986 HydrophobicContact CD2-CE1 3.92Å; L2965-F2986 HydrophobicContact CD2-CZ 3.89Å; L2965-F2986 HydrophobicContact CG-CE1 4.24Å; L2965-F2986 HydrophobicContact CG-CZ 4.43Å; L2965-L3000 HydrophobicContact CD1-CD1 4.2Å; L2965-L3000 HydrophobicContact CD2-CD1 3.99Å; L2965-L3000 HydrophobicContact CG-CD1 4.44Å; L2965-T3003 HydrophobicContact CD1-CG2 3.89Å; L2965-T3003 WeakPolarHBondContact CD1-OG1 3.48Å; L2965-M3004 HydrophobicContact CD1-CB 4.26Å; L2965-M3004 HydrophobicContact CD2-CB 3.82Å; L2965-M3004 HydrophobicContact CD2-CG 3.92Å; L2965-M3004 HydrophobicContact CD2-SD 3.93Å |
| 2966 | H | 85.5 | Confident | 85.1 | Confident | 66.8 Ų | 66.8 | 27.2 Ų | 27.2 | 31% | 0.309 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -63.6 | -41.6 | -179.2 | -105.5 | 78.1 | 0 | 0 | 0 | 111.5 | Y2389 F2393 A2397 E2962 L2963 I2968 F2969 L2970 | Y2389-H2966 AromaticContact CE2-CD2 3.87Å; Y2389-H2966 AromaticContact CE2-CE1 3.57Å; Y2389-H2966 AromaticContact CE2-CG 3.85Å; Y2389-H2966 AromaticContact CE2-ND1 3.65Å; Y2389-H2966 AromaticContact CE2-NE2 3.69Å; Y2389-H2966 AromaticContact CZ-NE2 3.95Å; Y2389-H2966 PolarHBondContact OH-CE1 3.33Å; Y2389-H2966 PolarHBondContact OH-NE2 3.2Å; F2393-H2966 HydrophobicContact CB-CB 3.81Å; F2393-H2966 HydrophobicContact CD1-CB 4.15Å; F2393-H2966 HydrophobicContact CG-CB 4.16Å; A2397-H2966 HydrophobicContact CB-CB 4.2Å; A2397-H2966 PolarHBondContact O-CD2 2.93Å; E2962-H2966 VanDerWaalsContact O-CB 3.28Å; E2962-H2966 WeakPolarHBondContact O-CB 3.44Å; E2962-H2966 PolarHBondContact O-N 3.15Å; E2962-H2966 PolarHBondContact O-ND1 3.17Å; L2963-H2966 PolarHBondContact O-N 3.14Å; H2966-I2968 VanDerWaalsContact C-N 3.32Å; H2966-I2968 PolarHBondContact O-N 3.14Å; H2966-F2969 PolarHBondContact O-N 3.34Å; H2966-L2970 VanDerWaalsContact O-CB 3.26Å; H2966-L2970 WeakPolarHBondContact O-CB 3.27Å; H2966-L2970 PolarHBondContact O-N 3.17Å; H2966-L2970 VanDerWaalsContact O-N 3.13Å |
| 2967 | F | 87.5 | Confident | 84.6 | Confident | 3.8 Ų | 3.8 | 30.1 Ų | 30.1 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 174.6 | -179.2 | -91.1 | 0 | 0 | 0 | 111.8 | F2393 L2931 P2932 I2935 L2963 L2964 L2965 L2970 R2971 V2974 V2975 W2982 | F2393-F2967 HydrophobicContact CE1-CB 4.14Å; F2393-F2967 HydrophobicContact CE1-CD2 4.1Å; F2393-F2967 HydrophobicContact CZ-CB 4.29Å; F2393-F2967 AromaticContact CZ-CD2 3.87Å; F2393-F2967 HydrophobicContact CZ-CD2 3.87Å; L2931-F2967 HydrophobicContact CG-CE2 4.44Å; P2932-F2967 HydrophobicContact CB-CZ 3.92Å; P2932-F2967 HydrophobicContact CG-CZ 4.08Å; I2935-F2967 HydrophobicContact CB-CD2 4.16Å; I2935-F2967 HydrophobicContact CB-CE2 4.18Å; I2935-F2967 HydrophobicContact CB-CG 4.47Å; I2935-F2967 HydrophobicContact CG1-CD2 4.02Å; I2935-F2967 HydrophobicContact CG1-CE2 4.11Å; I2935-F2967 HydrophobicContact CG2-CB 4.27Å; I2935-F2967 HydrophobicContact CG2-CD1 4.33Å; I2935-F2967 HydrophobicContact CG2-CD2 3.82Å; I2935-F2967 HydrophobicContact CG2-CE2 4.27Å; I2935-F2967 HydrophobicContact CG2-CG 3.87Å; L2963-F2967 VanDerWaalsContact O-CB 3.26Å; L2963-F2967 WeakPolarHBondContact O-CB 3.39Å; L2963-F2967 PolarHBondContact O-N 3.14Å; L2964-F2967 PolarHBondContact O-N 3.45Å; L2965-F2967 VanDerWaalsContact C-N 3.35Å; L2965-F2967 PolarHBondContact O-N 3.16Å; F2967-L2970 PolarHBondContact O-N 3.17Å; F2967-R2971 HydrophobicContact CD1-CB 4.46Å; F2967-R2971 HydrophobicContact CD2-CB 4.42Å; F2967-R2971 HydrophobicContact CD2-CG 4.25Å; F2967-R2971 HydrophobicContact CE1-CB 4.09Å; F2967-R2971 HydrophobicContact CE1-CG 4.5Å; F2967-R2971 HydrophobicContact CE2-CB 4.05Å; F2967-R2971 HydrophobicContact CE2-CG 3.91Å; F2967-R2971 HydrophobicContact CZ-CB 3.87Å; F2967-R2971 HydrophobicContact CZ-CG 3.98Å; F2967-R2971 WeakPolarHBondContact O-CA 3.21Å; F2967-R2971 WeakPolarHBondContact O-CB 3.3Å; F2967-R2971 PolarHBondContact O-N 3.07Å; F2967-V2974 HydrophobicContact CE1-CG1 4.48Å; F2967-V2974 HydrophobicContact CZ-CG1 4.45Å; F2967-V2975 HydrophobicContact CD1-CG2 4.43Å; F2967-V2975 HydrophobicContact CE1-CG2 4.34Å; F2967-W2982 HydrophobicContact CD1-CE3 4.5Å; F2967-W2982 AromaticContact CD1-CH2 3.74Å; F2967-W2982 HydrophobicContact CD1-CH2 3.74Å; F2967-W2982 HydrophobicContact CD1-CZ2 4.27Å; F2967-W2982 AromaticContact CD1-CZ3 3.9Å; F2967-W2982 HydrophobicContact CD1-CZ3 3.9Å; F2967-W2982 HydrophobicContact CE1-CE3 4.46Å; F2967-W2982 AromaticContact CE1-CH2 3.3Å; F2967-W2982 HydrophobicContact CE1-CH2 3.3Å; F2967-W2982 AromaticContact CE1-CZ2 3.48Å; F2967-W2982 HydrophobicContact CE1-CZ2 3.48Å; F2967-W2982 VanDerWaalsContact CE1-CZ2 3.48Å; F2967-W2982 AromaticContact CE1-CZ3 3.9Å; F2967-W2982 HydrophobicContact CE1-CZ3 3.93Å; F2967-W2982 AromaticContact CZ-CH2 3.94Å; F2967-W2982 HydrophobicContact CZ-CH2 3.98Å; F2967-W2982 AromaticContact CZ-CZ2 3.99Å; F2967-W2982 HydrophobicContact CZ-CZ2 4.13Å |
| 2968 | I | 83.4 | Confident | 84.3 | Confident | 4.8 Ų | 4.8 | 33.6 Ų | 33.6 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.4 | -40.2 | -176.6 | -73.5 | 174.1 | 0 | 0 | 0 | 112.4 | L2964 L2965 H2966 L2970 Y2972 V2975 W2982 F2986 M3024 | L2964-I2968 HydrophobicContact CD1-CD1 3.57Å; L2964-I2968 VanDerWaalsContact CD1-CD1 3.49Å; L2964-I2968 HydrophobicContact CD1-CG1 4.2Å; L2964-I2968 HydrophobicContact CG-CD1 3.98Å; L2964-I2968 WeakPolarHBondContact O-CB 3.32Å; L2964-I2968 VanDerWaalsContact O-CD1 3.29Å; L2964-I2968 WeakPolarHBondContact O-CD1 3.43Å; L2964-I2968 VanDerWaalsContact O-CG1 3.27Å; L2964-I2968 WeakPolarHBondContact O-CG1 3.31Å; L2964-I2968 PolarHBondContact O-N 3.19Å; L2965-I2968 PolarHBondContact O-N 3.2Å; L2965-I2968 VanDerWaalsContact O-N 3.17Å; H2966-I2968 VanDerWaalsContact C-N 3.32Å; H2966-I2968 PolarHBondContact O-N 3.14Å; I2968-L2970 VanDerWaalsContact C-N 3.31Å; I2968-L2970 PolarHBondContact O-N 2.86Å; I2968-Y2972 VanDerWaalsContact O-CA 3.27Å; I2968-Y2972 WeakPolarHBondContact O-CA 3.3Å; I2968-Y2972 WeakPolarHBondContact O-CB 3.4Å; I2968-Y2972 PolarHBondContact O-N 3.3Å; I2968-Y2972 VanDerWaalsContact O-N 3.13Å; I2968-V2975 HydrophobicContact CB-CG2 4.13Å; I2968-V2975 HydrophobicContact CD1-CG1 4.44Å; I2968-V2975 HydrophobicContact CG1-CG1 4.21Å; I2968-V2975 HydrophobicContact CG1-CG2 3.7Å; I2968-V2975 HydrophobicContact CG2-CG1 4.22Å; I2968-V2975 HydrophobicContact CG2-CG2 4.19Å; I2968-W2982 HydrophobicContact CD1-CB 4.21Å; I2968-W2982 HydrophobicContact CD1-CD2 4.47Å; I2968-W2982 HydrophobicContact CD1-CE3 4.29Å; I2968-W2982 HydrophobicContact CD1-CG 4.44Å; I2968-W2982 HydrophobicContact CG1-CE3 4.43Å; I2968-F2986 HydrophobicContact CD1-CD2 4.13Å; I2968-F2986 HydrophobicContact CD1-CE1 4.34Å; I2968-F2986 HydrophobicContact CD1-CE2 3.21Å; I2968-F2986 HydrophobicContact CD1-CZ 3.57Å; I2968-M3024 HydrophobicContact CG2-CE 3.82Å; I2968-M3024 HydrophobicContact CG2-SD 4.36Å |
| 2969 | F | 78.6 | Confident | 83.9 | Confident | 37.2 Ų | 37.2 | 32.7 Ų | 32.7 | 16% | 0.163 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.6 | -38.1 | 173.6 | -72.5 | -66.7 | 0 | 0 | 0 | 112 | P2399 F2402 L2965 H2966 R2971 Y2972 M3004 Q3011 L3015 | P2399-F2969 HydrophobicContact CB-CD2 4.24Å; P2399-F2969 HydrophobicContact CB-CE2 3.78Å; P2399-F2969 HydrophobicContact CB-CZ 4.06Å; P2399-F2969 HydrophobicContact CG-CD2 3.93Å; P2399-F2969 HydrophobicContact CG-CE2 3.64Å; P2399-F2969 HydrophobicContact CG-CZ 4.3Å; F2402-F2969 HydrophobicContact CB-CD1 4.23Å; F2402-F2969 AromaticContact CD1-CD1 3.84Å; F2402-F2969 HydrophobicContact CD1-CD1 3.84Å; F2402-F2969 HydrophobicContact CD1-CE1 4.49Å; F2402-F2969 HydrophobicContact CD2-CB 4.08Å; F2402-F2969 HydrophobicContact CD2-CD1 4.32Å; F2402-F2969 HydrophobicContact CE1-CD1 4.32Å; F2402-F2969 WeakPolarHBondContact CE1-O 3.42Å; F2402-F2969 HydrophobicContact CE2-CB 4.3Å; F2402-F2969 AromaticContact CE2-CD1 3.72Å; F2402-F2969 HydrophobicContact CE2-CD1 3.72Å; F2402-F2969 HydrophobicContact CE2-CE1 4.43Å; F2402-F2969 HydrophobicContact CE2-CG 4.47Å; F2402-F2969 WeakPolarHBondContact CE2-O 3.32Å; F2402-F2969 HydrophobicContact CG-CB 4.36Å; F2402-F2969 AromaticContact CG-CD1 3.85Å; F2402-F2969 HydrophobicContact CG-CD1 4.15Å; F2402-F2969 HydrophobicContact CG-CG 4.47Å; F2402-F2969 HydrophobicContact CZ-CB 3.99Å; F2402-F2969 AromaticContact CZ-CD1 3.8Å; F2402-F2969 HydrophobicContact CZ-CD1 3.8Å; F2402-F2969 HydrophobicContact CZ-CG 4.37Å; F2402-F2969 VanDerWaalsContact CZ-O 3.31Å; F2402-F2969 WeakPolarHBondContact CZ-O 3.39Å; L2965-F2969 HydrophobicContact CD2-CE2 4.38Å; L2965-F2969 VanDerWaalsContact O-CD2 3.24Å; L2965-F2969 WeakPolarHBondContact O-CD2 3.39Å; L2965-F2969 PolarHBondContact O-N 3.12Å; L2965-F2969 VanDerWaalsContact O-N 3.11Å; H2966-F2969 PolarHBondContact O-N 3.34Å; F2969-R2971 PolarHBondContact O-N 3.5Å; F2969-Y2972 WeakPolarHBondContact O-CD1 3.44Å; F2969-M3004 HydrophobicContact CZ-CG 4.37Å; F2969-Q3011 HydrophobicContact CZ-CB 4.38Å; F2969-Q3011 VanDerWaalsContact CZ-OE1 3.24Å; F2969-L3015 HydrophobicContact CE1-CD1 3.55Å; F2969-L3015 HydrophobicContact CE1-CD2 4.01Å; F2969-L3015 HydrophobicContact CE1-CG 3.79Å; F2969-L3015 HydrophobicContact CZ-CD1 3.71Å; F2969-L3015 HydrophobicContact CZ-CD2 4.18Å; F2969-L3015 HydrophobicContact CZ-CG 4.42Å |
| 2970 | L | 79.2 | Confident | 83.6 | Confident | 39.8 Ų | 39.8 | 32.8 Ų | 32.8 | 21% | 0.208 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.5 | -37.2 | 179.8 | -172.2 | 64.7 | 0 | 0 | 0 | 113.7 | F2393 A2397 Q2926 F2927 H2966 F2967 I2968 | F2393-L2970 HydrophobicContact CD1-CD2 3.83Å; F2393-L2970 HydrophobicContact CE1-CB 4.49Å; F2393-L2970 HydrophobicContact CE1-CD2 3.77Å; A2397-L2970 HydrophobicContact CB-CB 4.4Å; Q2926-L2970 HydrophobicContact CB-CD2 4.14Å; Q2926-L2970 HydrophobicContact CG-CD1 4.23Å; Q2926-L2970 HydrophobicContact CG-CD2 3.96Å; Q2926-L2970 HydrophobicContact CG-CG 4.32Å; F2927-L2970 HydrophobicContact CZ-CD1 4.13Å; F2927-L2970 HydrophobicContact CZ-CG 4.33Å; H2966-L2970 VanDerWaalsContact O-CB 3.26Å; H2966-L2970 WeakPolarHBondContact O-CB 3.27Å; H2966-L2970 PolarHBondContact O-N 3.17Å; H2966-L2970 VanDerWaalsContact O-N 3.13Å; F2967-L2970 PolarHBondContact O-N 3.17Å; I2968-L2970 VanDerWaalsContact C-N 3.31Å; I2968-L2970 PolarHBondContact O-N 2.86Å |
| 2971 | R | 80.6 | Confident | 83.3 | Confident | 18.8 Ų | 18.8 | 34.1 Ų | 34.1 | 7% | 0.071 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 34 | -173.9 | -64.6 | -84.8 | -58.8 | -131.4 | -0.2 | 112.8 | Q2926 F2927 D2928 F2967 F2969 H2973 V2974 V2975 | Q2926-R2971 WeakPolarHBondContact O-CD 3.37Å; Q2926-R2971 PolarHBondContact O-NE 2.85Å; Q2926-R2971 PolarHBondContact O-NH1 3.01Å; F2927-R2971 VanDerWaalsContact C-NH1 3.31Å; F2927-R2971 HydrophobicContact CD1-CG 4.37Å; F2927-R2971 HydrophobicContact CE1-CG 4.25Å; F2927-R2971 PolarHBondContact O-NH1 2.95Å; F2927-R2971 PolarHBondContact O-NH2 3.13Å; F2927-R2971 VanDerWaalsContact O-NH2 3.08Å; D2928-R2971 PolarHBondContact O-NH1 3.2Å; D2928-R2971 VanDerWaalsContact O-NH1 3.08Å; D2928-R2971 PolarHBondContact O-NH2 3.21Å; D2928-R2971 VanDerWaalsContact O-NH2 3.11Å; F2967-R2971 HydrophobicContact CD1-CB 4.46Å; F2967-R2971 HydrophobicContact CD2-CB 4.42Å; F2967-R2971 HydrophobicContact CD2-CG 4.25Å; F2967-R2971 HydrophobicContact CE1-CB 4.09Å; F2967-R2971 HydrophobicContact CE1-CG 4.5Å; F2967-R2971 HydrophobicContact CE2-CB 4.05Å; F2967-R2971 HydrophobicContact CE2-CG 3.91Å; F2967-R2971 HydrophobicContact CZ-CB 3.87Å; F2967-R2971 HydrophobicContact CZ-CG 3.98Å; F2967-R2971 WeakPolarHBondContact O-CA 3.21Å; F2967-R2971 WeakPolarHBondContact O-CB 3.3Å; F2967-R2971 PolarHBondContact O-N 3.07Å; F2969-R2971 PolarHBondContact O-N 3.5Å; R2971-H2973 PolarHBondContact NE-CE1 3.45Å; R2971-H2973 PolarHBondContact NE-NE2 3.2Å; R2971-H2973 VanDerWaalsContact NE-NE2 3.18Å; R2971-H2973 PolarHBondContact O-N 3.18Å; R2971-H2973 VanDerWaalsContact O-N 3.09Å; R2971-V2974 HydrophobicContact CB-CB 4.43Å; R2971-V2974 HydrophobicContact CB-CG2 4.29Å; R2971-V2974 VanDerWaalsContact O-CB 3.28Å; R2971-V2974 WeakPolarHBondContact O-CB 3.41Å; R2971-V2974 PolarHBondContact O-N 3.07Å; R2971-V2975 PolarHBondContact O-N 3.19Å |
| 2972 | Y | 78.7 | Confident | 83.2 | Confident | 34.2 Ų | 34.2 | 34.4 Ų | 34.4 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -50 | -34.7 | -175.7 | 66.9 | -94.1 | 0 | 0 | 0 | 114.2 | F2402 W2404 N2407 I2968 F2969 V2974 V2975 I2976 Y3021 | F2402-Y2972 AromaticContact CE1-CD1 3.86Å; F2402-Y2972 HydrophobicContact CE1-CD1 4.13Å; F2402-Y2972 AromaticContact CE1-CE1 3.97Å; F2402-Y2972 HydrophobicContact CE1-CE1 4.04Å; F2402-Y2972 HydrophobicContact CE2-CD1 4.45Å; F2402-Y2972 AromaticContact CZ-CD1 3.64Å; F2402-Y2972 HydrophobicContact CZ-CD1 3.64Å; F2402-Y2972 AromaticContact CZ-CE1 3.83Å; F2402-Y2972 HydrophobicContact CZ-CE1 3.83Å; F2402-Y2972 HydrophobicContact CZ-CG 4.37Å; W2404-Y2972 HydrophobicContact CE3-CD1 4.48Å; W2404-Y2972 HydrophobicContact CE3-CD2 4.09Å; W2404-Y2972 HydrophobicContact CE3-CE1 4.09Å; W2404-Y2972 AromaticContact CE3-CE2 3.69Å; W2404-Y2972 HydrophobicContact CE3-CE2 3.69Å; W2404-Y2972 HydrophobicContact CE3-CG 4.48Å; W2404-Y2972 AromaticContact CE3-CZ 3.68Å; W2404-Y2972 HydrophobicContact CZ3-CD1 4.19Å; W2404-Y2972 AromaticContact CZ3-CD2 3.83Å; W2404-Y2972 HydrophobicContact CZ3-CD2 3.83Å; W2404-Y2972 HydrophobicContact CZ3-CE1 4.26Å; W2404-Y2972 AromaticContact CZ3-CE2 3.93Å; W2404-Y2972 HydrophobicContact CZ3-CE2 3.93Å; W2404-Y2972 AromaticContact CZ3-CG 3.98Å; W2404-Y2972 HydrophobicContact CZ3-CG 4.17Å; W2404-Y2972 PolarHBondContact O-OH 3.03Å; N2407-Y2972 PolarHBondContact OD1-OH 3.09Å; N2407-Y2972 VanDerWaalsContact OD1-OH 3.11Å; I2968-Y2972 VanDerWaalsContact O-CA 3.27Å; I2968-Y2972 WeakPolarHBondContact O-CA 3.3Å; I2968-Y2972 WeakPolarHBondContact O-CB 3.4Å; I2968-Y2972 PolarHBondContact O-N 3.3Å; I2968-Y2972 VanDerWaalsContact O-N 3.13Å; F2969-Y2972 WeakPolarHBondContact O-CD1 3.44Å; Y2972-V2974 VanDerWaalsContact C-N 3.32Å; Y2972-V2974 PolarHBondContact O-N 3Å; Y2972-V2975 CarbonylContact O-C 3.42Å; Y2972-V2975 WeakPolarHBondContact O-CA 3.4Å; Y2972-V2975 WeakPolarHBondContact O-CB 3.32Å; Y2972-V2975 PolarHBondContact O-N 3.23Å; Y2972-V2975 VanDerWaalsContact O-N 3.11Å; Y2972-I2976 HydrophobicContact CD2-CD1 3.87Å; Y2972-I2976 HydrophobicContact CE2-CD1 4.44Å; Y2972-I2976 WeakPolarHBondContact O-CB 3.28Å; Y2972-I2976 WeakPolarHBondContact O-CD1 3.33Å; Y2972-I2976 VanDerWaalsContact O-CG1 3.3Å; Y2972-I2976 WeakPolarHBondContact O-CG1 3.32Å; Y2972-I2976 PolarHBondContact O-N 3.05Å; Y2972-Y3021 AromaticContact CD2-CD2 3.86Å; Y2972-Y3021 HydrophobicContact CD2-CD2 4.08Å; Y2972-Y3021 AromaticContact CD2-CE2 3.67Å; Y2972-Y3021 HydrophobicContact CD2-CE2 3.78Å; Y2972-Y3021 AromaticContact CE2-CD2 3.96Å; Y2972-Y3021 HydrophobicContact CE2-CD2 4.05Å; Y2972-Y3021 HydrophobicContact CE2-CE1 4.41Å; Y2972-Y3021 AromaticContact CE2-CE2 3.29Å; Y2972-Y3021 HydrophobicContact CE2-CE2 3.29Å; Y2972-Y3021 VanDerWaalsContact CE2-CE2 3.47Å; Y2972-Y3021 AromaticContact CE2-CZ 3.49Å; Y2972-Y3021 VanDerWaalsContact CE2-CZ 3.46Å; Y2972-Y3021 WeakPolarHBondContact CE2-OH 3.27Å; Y2972-Y3021 AromaticContact CZ-CE2 4Å; Y2972-Y3021 PolarHBondContact OH-OH 2.99Å |
| 2973 | H | 75.6 | Confident | 83.1 | Confident | 74.8 Ų | 74.8 | 30.7 Ų | 30.7 | 35% | 0.346 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -57.9 | -39.7 | 175.1 | -59.1 | -75 | 0 | 0 | 0 | 113.5 | N2407 R2971 V2975 S2977 Y3021 | N2407-H2973 PolarHBondContact OD1-CE1 2.97Å; N2407-H2973 PolarHBondContact OD1-NE2 3.1Å; R2971-H2973 PolarHBondContact NE-CE1 3.45Å; R2971-H2973 PolarHBondContact NE-NE2 3.2Å; R2971-H2973 VanDerWaalsContact NE-NE2 3.18Å; R2971-H2973 PolarHBondContact O-N 3.18Å; R2971-H2973 VanDerWaalsContact O-N 3.09Å; H2973-V2975 VanDerWaalsContact C-N 3.33Å; H2973-S2977 WeakPolarHBondContact O-CB 3.43Å; H2973-S2977 PolarHBondContact O-N 3.15Å; H2973-S2977 PolarHBondContact O-OG 2.69Å; H2973-Y3021 AromaticContact CE1-CZ 3.92Å; H2973-Y3021 PolarHBondContact CE1-OH 3.21Å |
| 2974 | V | 79.5 | Confident | 83 | Confident | 32.4 Ų | 32.4 | 32 Ų | 32 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.7 | -35 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | P2932 F2967 R2971 Y2972 I2976 S2977 N2978 W2982 | P2932-V2974 HydrophobicContact CB-CG1 3.76Å; P2932-V2974 HydrophobicContact CG-CB 4.37Å; P2932-V2974 HydrophobicContact CG-CG1 3.83Å; P2932-V2974 HydrophobicContact CG-CG2 4.22Å; F2967-V2974 HydrophobicContact CE1-CG1 4.48Å; F2967-V2974 HydrophobicContact CZ-CG1 4.45Å; R2971-V2974 HydrophobicContact CB-CB 4.43Å; R2971-V2974 HydrophobicContact CB-CG2 4.29Å; R2971-V2974 VanDerWaalsContact O-CB 3.28Å; R2971-V2974 WeakPolarHBondContact O-CB 3.41Å; R2971-V2974 PolarHBondContact O-N 3.07Å; Y2972-V2974 VanDerWaalsContact C-N 3.32Å; Y2972-V2974 PolarHBondContact O-N 3Å; V2974-I2976 VanDerWaalsContact C-N 3.34Å; V2974-S2977 WeakPolarHBondContact CA-OG 3.41Å; V2974-S2977 PolarHBondContact O-N 3.13Å; V2974-S2977 PolarHBondContact O-OG 3.14Å; V2974-S2977 VanDerWaalsContact O-OG 3.06Å; V2974-N2978 PolarHBondContact O-N 3.3Å; V2974-W2982 HydrophobicContact CG1-CZ2 4.33Å |
| 2975 | V | 77.5 | Confident | 83 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.7 | -45.6 | 178.5 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | F2967 I2968 R2971 Y2972 H2973 S2977 N2978 W2979 W2982 M3024 L3027 | F2967-V2975 HydrophobicContact CD1-CG2 4.43Å; F2967-V2975 HydrophobicContact CE1-CG2 4.34Å; I2968-V2975 HydrophobicContact CB-CG2 4.13Å; I2968-V2975 HydrophobicContact CD1-CG1 4.44Å; I2968-V2975 HydrophobicContact CG1-CG1 4.21Å; I2968-V2975 HydrophobicContact CG1-CG2 3.7Å; I2968-V2975 HydrophobicContact CG2-CG1 4.22Å; I2968-V2975 HydrophobicContact CG2-CG2 4.19Å; R2971-V2975 PolarHBondContact O-N 3.19Å; Y2972-V2975 CarbonylContact O-C 3.42Å; Y2972-V2975 WeakPolarHBondContact O-CA 3.4Å; Y2972-V2975 WeakPolarHBondContact O-CB 3.32Å; Y2972-V2975 PolarHBondContact O-N 3.23Å; Y2972-V2975 VanDerWaalsContact O-N 3.11Å; H2973-V2975 VanDerWaalsContact C-N 3.33Å; V2975-S2977 VanDerWaalsContact C-N 3.28Å; V2975-S2977 PolarHBondContact O-N 3.15Å; V2975-N2978 CarbonylContact O-C 3.5Å; V2975-N2978 VanDerWaalsContact O-C 3.25Å; V2975-N2978 PolarHBondContact O-N 2.87Å; V2975-N2978 VanDerWaalsContact O-N 3.1Å; V2975-W2979 WeakPolarHBondContact O-CA 3.29Å; V2975-W2979 VanDerWaalsContact O-CB 3.24Å; V2975-W2979 WeakPolarHBondContact O-CB 3.31Å; V2975-W2979 PolarHBondContact O-N 3.17Å; V2975-W2982 HydrophobicContact CB-CG 4.42Å; V2975-W2982 HydrophobicContact CG1-CB 3.98Å; V2975-W2982 HydrophobicContact CG1-CG 3.97Å; V2975-W2982 HydrophobicContact CG2-CD2 4.42Å; V2975-W2982 HydrophobicContact CG2-CG 4.46Å; V2975-M3024 HydrophobicContact CB-SD 4.44Å; V2975-M3024 HydrophobicContact CG1-SD 4.11Å; V2975-L3027 HydrophobicContact CG1-CD1 4.04Å; V2975-L3027 HydrophobicContact CG1-CD2 3.9Å |
| 2976 | I | 77.6 | Confident | 83.1 | Confident | 22.8 Ų | 22.8 | 31.8 Ų | 31.8 | 12% | 0.117 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.9 | -45.3 | 176.1 | -72.1 | 161 | 0 | 0 | 0 | 110.9 | Y2972 V2974 N2978 W2979 Y3021 E3023 M3024 K3434 | Y2972-I2976 HydrophobicContact CD2-CD1 3.87Å; Y2972-I2976 HydrophobicContact CE2-CD1 4.44Å; Y2972-I2976 WeakPolarHBondContact O-CB 3.28Å; Y2972-I2976 WeakPolarHBondContact O-CD1 3.33Å; Y2972-I2976 VanDerWaalsContact O-CG1 3.3Å; Y2972-I2976 WeakPolarHBondContact O-CG1 3.32Å; Y2972-I2976 PolarHBondContact O-N 3.05Å; V2974-I2976 VanDerWaalsContact C-N 3.34Å; I2976-N2978 VanDerWaalsContact C-N 3.29Å; I2976-N2978 PolarHBondContact O-N 2.98Å; I2976-N2978 VanDerWaalsContact O-N 3.15Å; I2976-W2979 PolarHBondContact O-N 3.22Å; I2976-Y3021 VanDerWaalsContact CD1-CB 3.46Å; I2976-Y3021 HydrophobicContact CD1-CD1 3.79Å; I2976-Y3021 HydrophobicContact CD1-CD2 3.86Å; I2976-Y3021 HydrophobicContact CD1-CE1 4.37Å; I2976-Y3021 HydrophobicContact CD1-CE2 4.32Å; I2976-Y3021 HydrophobicContact CD1-CG 3.44Å; I2976-Y3021 VanDerWaalsContact CD1-CG 3.48Å; I2976-Y3021 HydrophobicContact CG1-CG 4.45Å; I2976-E3023 HydrophobicContact CB-CB 4.41Å; I2976-E3023 HydrophobicContact CG1-CB 4.39Å; I2976-E3023 HydrophobicContact CG2-CB 4.13Å; I2976-E3023 VanDerWaalsContact CG2-CD 3.48Å; I2976-E3023 HydrophobicContact CG2-CG 4.14Å; I2976-M3024 HydrophobicContact CD1-CB 4.17Å; I2976-M3024 HydrophobicContact CD1-CG 3.9Å; I2976-M3024 HydrophobicContact CG1-CB 4.13Å; I2976-M3024 HydrophobicContact CG1-CG 3.62Å; I2976-M3024 HydrophobicContact CG1-SD 4.15Å; I2976-K3434 VanDerWaalsContact C-NZ 3.3Å; I2976-K3434 WeakPolarHBondContact O-CE 3.43Å; I2976-K3434 PolarHBondContact O-NZ 3.44Å |
| 2977 | S | 79 | Confident | 83.2 | Confident | 79.4 Ų | 79.4 | 29.6 Ų | 29.6 | 56% | 0.555 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -63.8 | -25.2 | -178.8 | 65.8 | 0 | 0 | 0 | 0 | 114.4 | H2973 V2974 V2975 A3361 K3434 | H2973-S2977 WeakPolarHBondContact O-CB 3.43Å; H2973-S2977 PolarHBondContact O-N 3.15Å; H2973-S2977 PolarHBondContact O-OG 2.69Å; V2974-S2977 WeakPolarHBondContact CA-OG 3.41Å; V2974-S2977 PolarHBondContact O-N 3.13Å; V2974-S2977 PolarHBondContact O-OG 3.14Å; V2974-S2977 VanDerWaalsContact O-OG 3.06Å; V2975-S2977 VanDerWaalsContact C-N 3.28Å; V2975-S2977 PolarHBondContact O-N 3.15Å; S2977-A3361 VanDerWaalsContact CB-C 3.47Å; S2977-A3361 WeakPolarHBondContact CB-O 3.42Å; S2977-K3434 VanDerWaalsContact CA-CE 3.48Å |
| 2978 | N | 83.3 | Confident | 83.3 | Confident | 72 Ų | 72 | 32.1 Ų | 32.1 | 39% | 0.385 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.2 | 43.6 | 179.8 | -167.3 | 3.1 | 0 | 0 | 0 | 112.5 | V2974 V2975 I2976 K2980 S2981 W2982 | V2974-N2978 PolarHBondContact O-N 3.3Å; V2975-N2978 CarbonylContact O-C 3.5Å; V2975-N2978 VanDerWaalsContact O-C 3.25Å; V2975-N2978 PolarHBondContact O-N 2.87Å; V2975-N2978 VanDerWaalsContact O-N 3.1Å; I2976-N2978 VanDerWaalsContact C-N 3.29Å; I2976-N2978 PolarHBondContact O-N 2.98Å; I2976-N2978 VanDerWaalsContact O-N 3.15Å; N2978-K2980 PolarHBondContact O-N 3.14Å; N2978-K2980 VanDerWaalsContact O-N 3.1Å; N2978-S2981 VanDerWaalsContact CG-OG 3.27Å; N2978-S2981 PolarHBondContact ND2-OG 3.18Å; N2978-S2981 PolarHBondContact O-N 3.07Å; N2978-S2981 VanDerWaalsContact O-N 3.11Å; N2978-S2981 VanDerWaalsContact OD1-CB 3.28Å; N2978-S2981 WeakPolarHBondContact OD1-CB 3.4Å; N2978-S2981 PolarHBondContact OD1-OG 3.25Å; N2978-W2982 VanDerWaalsContact O-CD1 3.26Å; N2978-W2982 PolarHBondContact O-N 3.07Å |
| 2979 | W | 82.1 | Confident | 83.7 | Confident | 29.4 Ų | 29.4 | 31.9 Ų | 31.9 | 11% | 0.111 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -30.5 | -169.2 | 64.8 | -99.3 | 0 | 0 | 0 | 112.9 | V2975 I2976 S2981 W2982 L2983 E3023 F3026 L3027 L3387 | V2975-W2979 WeakPolarHBondContact O-CA 3.29Å; V2975-W2979 VanDerWaalsContact O-CB 3.24Å; V2975-W2979 WeakPolarHBondContact O-CB 3.31Å; V2975-W2979 PolarHBondContact O-N 3.17Å; I2976-W2979 PolarHBondContact O-N 3.22Å; W2979-S2981 VanDerWaalsContact C-N 3.32Å; W2979-S2981 PolarHBondContact O-N 3.4Å; W2979-W2982 PolarHBondContact O-N 3.32Å; W2979-L2983 HydrophobicContact CE3-CB 4.47Å; W2979-L2983 HydrophobicContact CE3-CD2 4.2Å; W2979-L2983 HydrophobicContact CZ3-CD2 3.95Å; W2979-L2983 VanDerWaalsContact O-CB 3.29Å; W2979-L2983 WeakPolarHBondContact O-CB 3.36Å; W2979-L2983 PolarHBondContact O-N 3.14Å; W2979-E3023 HydrophobicContact CG-CB 4.33Å; W2979-F3026 HydrophobicContact CD2-CD1 4.47Å; W2979-F3026 HydrophobicContact CD2-CE1 4.34Å; W2979-F3026 HydrophobicContact CE3-CD1 4.26Å; W2979-F3026 AromaticContact CE3-CE1 3.75Å; W2979-F3026 HydrophobicContact CE3-CE1 4.06Å; W2979-F3026 AromaticContact CH2-CD1 3.86Å; W2979-F3026 HydrophobicContact CH2-CD1 3.97Å; W2979-F3026 AromaticContact CH2-CE1 3.68Å; W2979-F3026 HydrophobicContact CH2-CE1 3.68Å; W2979-F3026 HydrophobicContact CH2-CZ 4.37Å; W2979-F3026 HydrophobicContact CZ2-CD1 4.44Å; W2979-F3026 HydrophobicContact CZ2-CE1 4.47Å; W2979-F3026 AromaticContact CZ3-CD1 3.82Å; W2979-F3026 HydrophobicContact CZ3-CD1 3.97Å; W2979-F3026 AromaticContact CZ3-CE1 3.53Å; W2979-F3026 HydrophobicContact CZ3-CE1 3.53Å; W2979-F3026 HydrophobicContact CZ3-CZ 4.29Å; W2979-L3027 HydrophobicContact CB-CD1 4.37Å; W2979-L3387 HydrophobicContact CE3-CD2 4.46Å; W2979-L3387 HydrophobicContact CH2-CD2 3.82Å; W2979-L3387 HydrophobicContact CZ3-CD2 3.69Å; W2979-L3387 VanDerWaalsContact CZ3-CD2 3.41Å |
| 2980 | K | 83.8 | Confident | 84.2 | Confident | 62 Ų | 62 | 30.1 Ų | 30.1 | 27% | 0.27 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.3 | -43.2 | 176.6 | -54 | -177.6 | 176.6 | -174.3 | 0 | 112.1 | N2978 L2983 L2984 S3383 E3386 L3387 | N2978-K2980 PolarHBondContact O-N 3.14Å; N2978-K2980 VanDerWaalsContact O-N 3.1Å; K2980-L2983 PolarHBondContact O-N 3.19Å; K2980-L2984 WeakPolarHBondContact O-CB 3.4Å; K2980-L2984 WeakPolarHBondContact O-CG 3.34Å; K2980-L2984 PolarHBondContact O-N 3.24Å; K2980-L2984 VanDerWaalsContact O-N 3.11Å; K2980-S3383 VanDerWaalsContact CE-CA 3.45Å; K2980-S3383 VanDerWaalsContact CE-O 3.28Å; K2980-S3383 WeakPolarHBondContact CE-O 3.4Å; K2980-S3383 VanDerWaalsContact CE-OG 3.26Å; K2980-S3383 WeakPolarHBondContact CE-OG 3.38Å; K2980-S3383 PolarHBondContact NZ-OG 2.78Å; K2980-E3386 VanDerWaalsContact NZ-CD 3.31Å; K2980-E3386 IonicContact NZ-OE1 3.95Å; K2980-E3386 PolarHBondContact NZ-OE1 2.85Å; K2980-E3386 IonicContact NZ-OE2 2.71Å; K2980-E3386 PolarHBondContact NZ-OE2 3.14Å; K2980-L3387 HydrophobicContact CB-CD1 4.43Å |
| 2981 | S | 87 | Confident | 84.6 | Confident | 27.8 Ų | 27.8 | 30.5 Ų | 30.5 | 19% | 0.194 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.3 | -40.2 | -177.6 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | Y2936 N2978 W2979 L2984 L2985 | Y2936-S2981 WeakPolarHBondContact CE2-O 3.5Å; Y2936-S2981 PolarHBondContact OH-O 2.95Å; N2978-S2981 VanDerWaalsContact CG-OG 3.27Å; N2978-S2981 PolarHBondContact ND2-OG 3.18Å; N2978-S2981 PolarHBondContact O-N 3.07Å; N2978-S2981 VanDerWaalsContact O-N 3.11Å; N2978-S2981 VanDerWaalsContact OD1-CB 3.28Å; N2978-S2981 WeakPolarHBondContact OD1-CB 3.4Å; N2978-S2981 PolarHBondContact OD1-OG 3.25Å; W2979-S2981 VanDerWaalsContact C-N 3.32Å; W2979-S2981 PolarHBondContact O-N 3.4Å; S2981-L2984 WeakPolarHBondContact O-CB 3.48Å; S2981-L2984 PolarHBondContact O-N 3.3Å; S2981-L2985 PolarHBondContact O-N 3.19Å |
| 2982 | W | 88.9 | Confident | 84.9 | Confident | 6.4 Ų | 6.4 | 30.9 Ų | 30.9 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.7 | -40 | 176.8 | -65.2 | 105 | 0 | 0 | 0 | 112.7 | P2932 I2935 Y2936 I2939 L2964 F2967 I2968 V2974 V2975 N2978 W2979 L2984 L2985 F2986 | P2932-W2982 HydrophobicContact CB-CZ2 4.42Å; P2932-W2982 WeakPolarHBondContact O-CH2 3.38Å; I2935-W2982 HydrophobicContact CG2-CH2 4.39Å; I2935-W2982 HydrophobicContact CG2-CZ3 4.42Å; Y2936-W2982 HydrophobicContact CD2-CD2 4.33Å; Y2936-W2982 HydrophobicContact CD2-CE3 4.3Å; Y2936-W2982 HydrophobicContact CD2-CH2 4.21Å; Y2936-W2982 HydrophobicContact CD2-CZ2 4.23Å; Y2936-W2982 HydrophobicContact CD2-CZ3 4.23Å; Y2936-W2982 HydrophobicContact CG-CH2 4.48Å; I2939-W2982 HydrophobicContact CD1-CZ3 4.39Å; L2964-W2982 HydrophobicContact CD1-CE3 3.81Å; L2964-W2982 HydrophobicContact CD1-CZ3 4.08Å; F2967-W2982 HydrophobicContact CD1-CE3 4.5Å; F2967-W2982 AromaticContact CD1-CH2 3.74Å; F2967-W2982 HydrophobicContact CD1-CH2 3.74Å; F2967-W2982 HydrophobicContact CD1-CZ2 4.27Å; F2967-W2982 AromaticContact CD1-CZ3 3.9Å; F2967-W2982 HydrophobicContact CD1-CZ3 3.9Å; F2967-W2982 HydrophobicContact CE1-CE3 4.46Å; F2967-W2982 AromaticContact CE1-CH2 3.3Å; F2967-W2982 HydrophobicContact CE1-CH2 3.3Å; F2967-W2982 AromaticContact CE1-CZ2 3.48Å; F2967-W2982 HydrophobicContact CE1-CZ2 3.48Å; F2967-W2982 VanDerWaalsContact CE1-CZ2 3.48Å; F2967-W2982 AromaticContact CE1-CZ3 3.9Å; F2967-W2982 HydrophobicContact CE1-CZ3 3.93Å; F2967-W2982 AromaticContact CZ-CH2 3.94Å; F2967-W2982 HydrophobicContact CZ-CH2 3.98Å; F2967-W2982 AromaticContact CZ-CZ2 3.99Å; F2967-W2982 HydrophobicContact CZ-CZ2 4.13Å; I2968-W2982 HydrophobicContact CD1-CB 4.21Å; I2968-W2982 HydrophobicContact CD1-CD2 4.47Å; I2968-W2982 HydrophobicContact CD1-CE3 4.29Å; I2968-W2982 HydrophobicContact CD1-CG 4.44Å; I2968-W2982 HydrophobicContact CG1-CE3 4.43Å; V2974-W2982 HydrophobicContact CG1-CZ2 4.33Å; V2975-W2982 HydrophobicContact CB-CG 4.42Å; V2975-W2982 HydrophobicContact CG1-CB 3.98Å; V2975-W2982 HydrophobicContact CG1-CG 3.97Å; V2975-W2982 HydrophobicContact CG2-CD2 4.42Å; V2975-W2982 HydrophobicContact CG2-CG 4.46Å; N2978-W2982 VanDerWaalsContact O-CD1 3.26Å; N2978-W2982 PolarHBondContact O-N 3.07Å; W2979-W2982 PolarHBondContact O-N 3.32Å; W2982-L2984 VanDerWaalsContact C-N 3.29Å; W2982-L2984 PolarHBondContact O-N 3.06Å; W2982-L2985 HydrophobicContact CE3-CD1 4.12Å; W2982-L2985 HydrophobicContact CZ3-CD1 4.26Å; W2982-L2985 WeakPolarHBondContact O-CB 3.23Å; W2982-L2985 PolarHBondContact O-N 3.31Å; W2982-L2985 VanDerWaalsContact O-N 3.07Å; W2982-F2986 WeakPolarHBondContact O-CD2 3.34Å; W2982-F2986 PolarHBondContact O-N 3.05Å; W2982-F2986 VanDerWaalsContact O-N 3.13Å |
| 2983 | L | 86.9 | Confident | 85.3 | Confident | 4.8 Ų | 4.8 | 30 Ų | 30 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 173.5 | -178.9 | 56.1 | 0 | 0 | 0 | 111.5 | W2979 K2980 L2985 F2986 I2987 F3026 L3027 A3030 L3031 L3387 L3399 | W2979-L2983 HydrophobicContact CE3-CB 4.47Å; W2979-L2983 HydrophobicContact CE3-CD2 4.2Å; W2979-L2983 HydrophobicContact CZ3-CD2 3.95Å; W2979-L2983 VanDerWaalsContact O-CB 3.29Å; W2979-L2983 WeakPolarHBondContact O-CB 3.36Å; W2979-L2983 PolarHBondContact O-N 3.14Å; K2980-L2983 PolarHBondContact O-N 3.19Å; L2983-L2985 VanDerWaalsContact C-N 3.33Å; L2983-L2985 PolarHBondContact O-N 3.23Å; L2983-F2986 WeakPolarHBondContact O-CB 3.17Å; L2983-F2986 PolarHBondContact O-N 3.26Å; L2983-I2987 HydrophobicContact CD1-CD1 3.98Å; L2983-I2987 HydrophobicContact CD1-CG1 4.2Å; L2983-I2987 HydrophobicContact CD2-CD1 4.46Å; L2983-I2987 HydrophobicContact CG-CD1 3.83Å; L2983-I2987 HydrophobicContact CG-CG1 4.44Å; L2983-I2987 WeakPolarHBondContact O-CB 3.34Å; L2983-I2987 WeakPolarHBondContact O-CG1 3.36Å; L2983-I2987 PolarHBondContact O-N 3.21Å; L2983-F3026 HydrophobicContact CD2-CE1 4.36Å; L2983-L3027 HydrophobicContact CB-CD1 3.77Å; L2983-L3027 HydrophobicContact CD1-CD1 3.9Å; L2983-L3027 HydrophobicContact CD1-CG 4.4Å; L2983-L3027 HydrophobicContact CD2-CD1 4.4Å; L2983-L3027 HydrophobicContact CG-CD1 4.14Å; L2983-A3030 HydrophobicContact CD1-CB 4.22Å; L2983-A3030 HydrophobicContact CD2-CB 4.08Å; L2983-L3031 HydrophobicContact CD1-CD2 3.75Å; L2983-L3031 HydrophobicContact CD1-CG 3.98Å; L2983-L3387 HydrophobicContact CB-CD2 4.42Å; L2983-L3387 HydrophobicContact CD2-CD2 3.85Å; L2983-L3387 HydrophobicContact CG-CD2 4.12Å; L2983-L3399 HydrophobicContact CD2-CD2 4.36Å |
| 2984 | L | 88.8 | Confident | 85.7 | Confident | 48.8 Ų | 48.8 | 27.4 Ų | 27.4 | 26% | 0.255 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.1 | -37.5 | 176 | -139.2 | 100.5 | 0 | 0 | 0 | 112.6 | K2980 S2981 W2982 I2987 K2988 L3387 K3390 I3391 L3394 | K2980-L2984 WeakPolarHBondContact O-CB 3.4Å; K2980-L2984 WeakPolarHBondContact O-CG 3.34Å; K2980-L2984 PolarHBondContact O-N 3.24Å; K2980-L2984 VanDerWaalsContact O-N 3.11Å; S2981-L2984 WeakPolarHBondContact O-CB 3.48Å; S2981-L2984 PolarHBondContact O-N 3.3Å; W2982-L2984 VanDerWaalsContact C-N 3.29Å; W2982-L2984 PolarHBondContact O-N 3.06Å; L2984-I2987 PolarHBondContact O-N 3.05Å; L2984-K2988 HydrophobicContact CD1-CG 4.43Å; L2984-K2988 HydrophobicContact CG-CD 4.33Å; L2984-K2988 WeakPolarHBondContact O-CB 3.39Å; L2984-K2988 VanDerWaalsContact O-CG 3.27Å; L2984-K2988 WeakPolarHBondContact O-CG 3.3Å; L2984-K2988 PolarHBondContact O-N 3.13Å; L2984-L3387 HydrophobicContact CB-CD1 3.84Å; L2984-L3387 HydrophobicContact CD1-CD1 3.99Å; L2984-L3387 HydrophobicContact CD2-CD1 3.72Å; L2984-L3387 HydrophobicContact CG-CD1 3.99Å; L2984-K3390 HydrophobicContact CD1-CB 4.25Å; L2984-K3390 HydrophobicContact CD1-CD 3.75Å; L2984-K3390 HydrophobicContact CD2-CB 4.05Å; L2984-K3390 HydrophobicContact CD2-CD 4Å; L2984-I3391 HydrophobicContact CD1-CG1 4.1Å; L2984-I3391 HydrophobicContact CD2-CG1 3.97Å; L2984-L3394 HydrophobicContact CD1-CD1 4.05Å; L2984-L3394 HydrophobicContact CD2-CD1 3.76Å |
| 2985 | L | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 174.6 | -66.8 | -176 | 0 | 0 | 0 | 111.7 | Y2936 I2939 N2940 I2943 L2964 S2981 W2982 L2983 K2988 L2989 | Y2936-L2985 HydrophobicContact CD2-CD1 3.37Å; Y2936-L2985 VanDerWaalsContact CD2-CD1 3.49Å; Y2936-L2985 HydrophobicContact CD2-CG 4.18Å; Y2936-L2985 HydrophobicContact CE2-CD1 3.4Å; Y2936-L2985 VanDerWaalsContact CE2-CD1 3.42Å; Y2936-L2985 HydrophobicContact CE2-CD2 4.17Å; Y2936-L2985 HydrophobicContact CE2-CG 3.67Å; Y2936-L2985 HydrophobicContact CG-CD1 4.07Å; I2939-L2985 HydrophobicContact CB-CD1 4.26Å; I2939-L2985 HydrophobicContact CG2-CB 4.35Å; I2939-L2985 HydrophobicContact CG2-CD1 3.88Å; I2939-L2985 HydrophobicContact CG2-CG 4.47Å; N2940-L2985 HydrophobicContact CB-CD2 3.88Å; I2943-L2985 HydrophobicContact CD1-CB 4.15Å; I2943-L2985 HydrophobicContact CD1-CD2 4.06Å; I2943-L2985 WeakPolarHBondContact CD1-O 3.34Å; L2964-L2985 HydrophobicContact CD2-CB 4.49Å; S2981-L2985 PolarHBondContact O-N 3.19Å; W2982-L2985 HydrophobicContact CE3-CD1 4.12Å; W2982-L2985 HydrophobicContact CZ3-CD1 4.26Å; W2982-L2985 WeakPolarHBondContact O-CB 3.23Å; W2982-L2985 PolarHBondContact O-N 3.31Å; W2982-L2985 VanDerWaalsContact O-N 3.07Å; L2983-L2985 VanDerWaalsContact C-N 3.33Å; L2983-L2985 PolarHBondContact O-N 3.23Å; L2985-K2988 PolarHBondContact O-N 3.19Å; L2985-L2989 WeakPolarHBondContact O-CB 3.37Å; L2985-L2989 PolarHBondContact O-N 3.07Å |
| 2986 | F | 89.7 | Confident | 86.6 | Confident | 2.2 Ų | 2.2 | 28.2 Ų | 28.2 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.1 | -52.1 | 173.7 | -86.9 | -64.1 | 0 | 0 | 0 | 111.9 | L2961 L2964 L2965 I2968 W2982 L2983 K2988 L2989 I2990 L3000 M3004 L3027 L3031 | L2961-F2986 HydrophobicContact CD1-CD1 4.39Å; L2961-F2986 HydrophobicContact CD1-CE1 4.29Å; L2964-F2986 HydrophobicContact CD2-CB 4.48Å; L2964-F2986 HydrophobicContact CD2-CD1 3.44Å; L2964-F2986 VanDerWaalsContact CD2-CD1 3.42Å; L2964-F2986 HydrophobicContact CD2-CD2 4.19Å; L2964-F2986 HydrophobicContact CD2-CE1 3.58Å; L2964-F2986 VanDerWaalsContact CD2-CE1 3.42Å; L2964-F2986 HydrophobicContact CD2-CE2 4.34Å; L2964-F2986 HydrophobicContact CD2-CG 3.76Å; L2964-F2986 HydrophobicContact CD2-CZ 4.05Å; L2964-F2986 HydrophobicContact CG-CD1 4.21Å; L2964-F2986 HydrophobicContact CG-CE1 3.83Å; L2964-F2986 HydrophobicContact CG-CE2 4.31Å; L2964-F2986 HydrophobicContact CG-CG 4.49Å; L2964-F2986 HydrophobicContact CG-CZ 3.9Å; L2965-F2986 HydrophobicContact CD2-CE1 3.92Å; L2965-F2986 HydrophobicContact CD2-CZ 3.89Å; L2965-F2986 HydrophobicContact CG-CE1 4.24Å; L2965-F2986 HydrophobicContact CG-CZ 4.43Å; I2968-F2986 HydrophobicContact CD1-CD2 4.13Å; I2968-F2986 HydrophobicContact CD1-CE1 4.34Å; I2968-F2986 HydrophobicContact CD1-CE2 3.21Å; I2968-F2986 HydrophobicContact CD1-CZ 3.57Å; W2982-F2986 WeakPolarHBondContact O-CD2 3.34Å; W2982-F2986 PolarHBondContact O-N 3.05Å; W2982-F2986 VanDerWaalsContact O-N 3.13Å; L2983-F2986 WeakPolarHBondContact O-CB 3.17Å; L2983-F2986 PolarHBondContact O-N 3.26Å; F2986-K2988 VanDerWaalsContact C-N 3.3Å; F2986-K2988 PolarHBondContact O-N 3.16Å; F2986-L2989 PolarHBondContact O-N 3.24Å; F2986-L2989 VanDerWaalsContact O-N 3.1Å; F2986-I2990 WeakPolarHBondContact O-CD1 3.32Å; F2986-I2990 VanDerWaalsContact O-CG1 3.27Å; F2986-I2990 WeakPolarHBondContact O-CG1 3.35Å; F2986-I2990 VanDerWaalsContact O-CG2 3.26Å; F2986-I2990 WeakPolarHBondContact O-CG2 3.33Å; F2986-I2990 PolarHBondContact O-N 3.33Å; F2986-L3000 HydrophobicContact CD1-CD1 4.45Å; F2986-L3000 HydrophobicContact CE1-CD1 4.15Å; F2986-M3004 HydrophobicContact CZ-SD 4.35Å; F2986-L3027 HydrophobicContact CE2-CD2 4.31Å; F2986-L3031 HydrophobicContact CB-CD1 4.24Å; F2986-L3031 HydrophobicContact CB-CD2 3.41Å; F2986-L3031 VanDerWaalsContact CB-CD2 3.45Å; F2986-L3031 HydrophobicContact CD1-CD1 4.24Å; F2986-L3031 HydrophobicContact CD1-CD2 4.31Å; F2986-L3031 HydrophobicContact CD2-CD1 3.84Å; F2986-L3031 HydrophobicContact CD2-CD2 4.12Å; F2986-L3031 HydrophobicContact CD2-CG 4.46Å; F2986-L3031 HydrophobicContact CE1-CD1 4.36Å; F2986-L3031 HydrophobicContact CE2-CD1 3.75Å; F2986-L3031 HydrophobicContact CG-CD1 3.93Å; F2986-L3031 HydrophobicContact CG-CD2 3.79Å; F2986-L3031 HydrophobicContact CZ-CD1 4.12Å; F2986-L3031 HydrophobicContact CZ-CD2 4.49Å |
| 2987 | I | 88.7 | Confident | 87.1 | Confident | 21 Ų | 21 | 28.2 Ų | 28.2 | 11% | 0.108 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.4 | -44.5 | -178.6 | -73.3 | 170.6 | 0 | 0 | 0 | 110.7 | L2983 L2984 L2989 I2990 S2991 Y3034 I3391 L3399 | L2983-I2987 HydrophobicContact CD1-CD1 3.98Å; L2983-I2987 HydrophobicContact CD1-CG1 4.2Å; L2983-I2987 HydrophobicContact CD2-CD1 4.46Å; L2983-I2987 HydrophobicContact CG-CD1 3.83Å; L2983-I2987 HydrophobicContact CG-CG1 4.44Å; L2983-I2987 WeakPolarHBondContact O-CB 3.34Å; L2983-I2987 WeakPolarHBondContact O-CG1 3.36Å; L2983-I2987 PolarHBondContact O-N 3.21Å; L2984-I2987 PolarHBondContact O-N 3.05Å; I2987-L2989 PolarHBondContact O-N 2.94Å; I2987-I2990 WeakPolarHBondContact O-CG1 3.47Å; I2987-S2991 VanDerWaalsContact O-CB 3.3Å; I2987-S2991 WeakPolarHBondContact O-CB 3.4Å; I2987-S2991 PolarHBondContact O-N 3.03Å; I2987-S2991 VanDerWaalsContact O-N 3.13Å; I2987-S2991 PolarHBondContact O-OG 3.15Å; I2987-Y3034 HydrophobicContact CB-CD1 4.39Å; I2987-Y3034 HydrophobicContact CB-CE1 4.28Å; I2987-Y3034 HydrophobicContact CG1-CD1 4.1Å; I2987-Y3034 HydrophobicContact CG1-CE1 4.21Å; I2987-Y3034 HydrophobicContact CG1-CG 4.35Å; I2987-Y3034 HydrophobicContact CG2-CD1 4.29Å; I2987-Y3034 HydrophobicContact CG2-CE1 3.78Å; I2987-Y3034 HydrophobicContact CG2-CE2 4.34Å; I2987-I3391 HydrophobicContact CD1-CD1 3.68Å; I2987-I3391 HydrophobicContact CD1-CG1 4.2Å; I2987-I3391 HydrophobicContact CG2-CD1 4.39Å; I2987-I3391 HydrophobicContact CG2-CG1 4.19Å; I2987-I3391 HydrophobicContact CG2-CG2 4.43Å; I2987-L3399 HydrophobicContact CD1-CD1 4.31Å; I2987-L3399 HydrophobicContact CD1-CD2 4.02Å; I2987-L3399 HydrophobicContact CD1-CG 4.44Å |
| 2988 | K | 89.7 | Confident | 87.4 | Confident | 56.2 Ų | 56.2 | 25.6 Ų | 25.6 | 24% | 0.244 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -49.3 | 174.2 | -75.1 | 174 | 176.9 | -177.8 | 0 | 111.9 | N2940 I2943 M2947 L2984 L2985 F2986 I2990 S2991 I2992 L3394 | N2940-K2988 PolarHBondContact OD1-NZ 3.1Å; I2943-K2988 HydrophobicContact CD1-CB 4.27Å; I2943-K2988 HydrophobicContact CG2-CB 3.78Å; I2943-K2988 HydrophobicContact CG2-CD 4.23Å; I2943-K2988 HydrophobicContact CG2-CG 4.29Å; M2947-K2988 HydrophobicContact CE-CB 3.87Å; M2947-K2988 HydrophobicContact CE-CG 4.22Å; M2947-K2988 WeakPolarHBondContact CE-O 3.31Å; L2984-K2988 HydrophobicContact CD1-CG 4.43Å; L2984-K2988 HydrophobicContact CG-CD 4.33Å; L2984-K2988 WeakPolarHBondContact O-CB 3.39Å; L2984-K2988 VanDerWaalsContact O-CG 3.27Å; L2984-K2988 WeakPolarHBondContact O-CG 3.3Å; L2984-K2988 PolarHBondContact O-N 3.13Å; L2985-K2988 PolarHBondContact O-N 3.19Å; F2986-K2988 VanDerWaalsContact C-N 3.3Å; F2986-K2988 PolarHBondContact O-N 3.16Å; K2988-I2990 PolarHBondContact O-N 2.76Å; K2988-S2991 PolarHBondContact O-N 3.05Å; K2988-S2991 PolarHBondContact O-OG 2.93Å; K2988-I2992 VanDerWaalsContact O-CG1 3.3Å; K2988-I2992 WeakPolarHBondContact O-CG1 3.35Å; K2988-L3394 HydrophobicContact CD-CD2 4.39Å; K2988-L3394 HydrophobicContact CG-CD1 4.05Å; K2988-L3394 HydrophobicContact CG-CD2 3.62Å |
| 2989 | L | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.8 | -44.8 | -175.9 | -178.5 | 57.2 | 0 | 0 | 0 | 112.6 | I2943 T2960 L2961 L2964 L2985 F2986 I2987 S2991 I2992 I2996 | I2943-L2989 HydrophobicContact CD1-CB 4Å; I2943-L2989 HydrophobicContact CG1-CB 4.04Å; I2943-L2989 HydrophobicContact CG1-CD1 4.09Å; T2960-L2989 HydrophobicContact CG2-CD1 4.45Å; T2960-L2989 HydrophobicContact CG2-CD2 4.19Å; L2961-L2989 HydrophobicContact CB-CD2 3.88Å; L2961-L2989 HydrophobicContact CD1-CD2 4.1Å; L2964-L2989 HydrophobicContact CD2-CD2 4.23Å; L2985-L2989 WeakPolarHBondContact O-CB 3.37Å; L2985-L2989 PolarHBondContact O-N 3.07Å; F2986-L2989 PolarHBondContact O-N 3.24Å; F2986-L2989 VanDerWaalsContact O-N 3.1Å; I2987-L2989 PolarHBondContact O-N 2.94Å; L2989-S2991 VanDerWaalsContact C-N 3.3Å; L2989-S2991 PolarHBondContact O-N 3.25Å; L2989-I2992 HydrophobicContact CD1-CD1 4.25Å; L2989-I2992 WeakPolarHBondContact O-CB 3.25Å; L2989-I2992 WeakPolarHBondContact O-CG1 3.39Å; L2989-I2992 PolarHBondContact O-N 3.16Å; L2989-I2996 HydrophobicContact CD1-CD1 4.46Å; L2989-I2996 HydrophobicContact CD1-CG2 4.3Å; L2989-I2996 HydrophobicContact CG-CG2 4.09Å |
| 2990 | I | 88.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74.7 | -18.1 | -178.8 | 69.9 | -169.9 | 0 | 0 | 0 | 113 | L2961 F2986 I2987 K2988 I2992 R2997 L3000 L3031 Y3034 V3035 L3038 | L2961-I2990 HydrophobicContact CD1-CG2 4.44Å; F2986-I2990 WeakPolarHBondContact O-CD1 3.32Å; F2986-I2990 VanDerWaalsContact O-CG1 3.27Å; F2986-I2990 WeakPolarHBondContact O-CG1 3.35Å; F2986-I2990 VanDerWaalsContact O-CG2 3.26Å; F2986-I2990 WeakPolarHBondContact O-CG2 3.33Å; F2986-I2990 PolarHBondContact O-N 3.33Å; I2987-I2990 WeakPolarHBondContact O-CG1 3.47Å; K2988-I2990 PolarHBondContact O-N 2.76Å; I2990-I2992 VanDerWaalsContact C-N 3.3Å; I2990-I2992 PolarHBondContact O-N 3.13Å; I2990-R2997 HydrophobicContact CB-CG 4.11Å; I2990-R2997 VanDerWaalsContact O-CD 3.26Å; I2990-R2997 WeakPolarHBondContact O-CD 3.36Å; I2990-R2997 WeakPolarHBondContact O-CG 3.39Å; I2990-R2997 PolarHBondContact O-NH1 3.33Å; I2990-L3000 HydrophobicContact CD1-CD2 4.12Å; I2990-L3000 HydrophobicContact CG2-CB 4.39Å; I2990-L3000 HydrophobicContact CG2-CD2 3.63Å; I2990-L3031 HydrophobicContact CD1-CD1 3.98Å; I2990-L3031 HydrophobicContact CD1-CD2 4.1Å; I2990-Y3034 HydrophobicContact CD1-CD1 3.6Å; I2990-Y3034 HydrophobicContact CD1-CE1 4.04Å; I2990-Y3034 HydrophobicContact CD1-CG 4.25Å; I2990-Y3034 HydrophobicContact CG1-CD1 4.06Å; I2990-Y3034 HydrophobicContact CG1-CE1 3.99Å; I2990-V3035 HydrophobicContact CD1-CG2 3.84Å; I2990-L3038 HydrophobicContact CG1-CD1 4.24Å |
| 2991 | S | 87.7 | Confident | 87.8 | Confident | 47.6 Ų | 47.6 | 20.6 Ų | 20.6 | 33% | 0.333 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -74.1 | -19.7 | 173.5 | -48.1 | 0 | 0 | 0 | 0 | 113 | I2987 K2988 L2989 R2997 Y3034 | I2987-S2991 VanDerWaalsContact O-CB 3.3Å; I2987-S2991 WeakPolarHBondContact O-CB 3.4Å; I2987-S2991 PolarHBondContact O-N 3.03Å; I2987-S2991 VanDerWaalsContact O-N 3.13Å; I2987-S2991 PolarHBondContact O-OG 3.15Å; K2988-S2991 PolarHBondContact O-N 3.05Å; K2988-S2991 PolarHBondContact O-OG 2.93Å; L2989-S2991 VanDerWaalsContact C-N 3.3Å; L2989-S2991 PolarHBondContact O-N 3.25Å; S2991-R2997 PolarHBondContact O-NH1 3.19Å; S2991-Y3034 PolarHBondContact OG-OH 3.43Å; S2991-Y3034 VanDerWaalsContact OG-OH 3.09Å |
| 2992 | I | 87.5 | Confident | 87.5 | Confident | 26.6 Ų | 26.6 | 23.3 Ų | 23.3 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -67 | -45.4 | -171.4 | -57.6 | -178.3 | 0 | 0 | 0 | 113.1 | I2943 C2946 M2947 S2950 K2988 L2989 I2990 I2996 | I2943-I2992 HydrophobicContact CG2-CD1 4.34Å; C2946-I2992 HydrophobicContact CB-CD1 3.51Å; C2946-I2992 VanDerWaalsContact CB-CD1 3.49Å; C2946-I2992 HydrophobicContact CB-CG2 4.26Å; C2946-I2992 WeakPolarHBondContact O-CG2 3.1Å; M2947-I2992 HydrophobicContact CE-CD1 4.48Å; M2947-I2992 HydrophobicContact CE-CG1 4.32Å; M2947-I2992 HydrophobicContact CG-CD1 3.94Å; M2947-I2992 HydrophobicContact CG-CG1 4.04Å; S2950-I2992 WeakPolarHBondContact OG-CG2 3.41Å; S2950-I2992 PolarHBondContact OG-O 3.42Å; S2950-I2992 VanDerWaalsContact OG-O 3.11Å; K2988-I2992 VanDerWaalsContact O-CG1 3.3Å; K2988-I2992 WeakPolarHBondContact O-CG1 3.35Å; L2989-I2992 HydrophobicContact CD1-CD1 4.25Å; L2989-I2992 WeakPolarHBondContact O-CB 3.25Å; L2989-I2992 WeakPolarHBondContact O-CG1 3.39Å; L2989-I2992 PolarHBondContact O-N 3.16Å; I2990-I2992 VanDerWaalsContact C-N 3.3Å; I2990-I2992 PolarHBondContact O-N 3.13Å; I2992-I2996 HydrophobicContact CB-CD1 4.25Å; I2992-I2996 HydrophobicContact CG2-CD1 4.31Å |
| 2993 | S | 86.4 | Confident | 87.1 | Confident | 15.2 Ų | 15.2 | 24.6 Ų | 24.6 | 11% | 0.106 | 13% | 0.134 | C | C | . | . | trans | -158.6 | 151.2 | -177.4 | 76.7 | 0 | 0 | 0 | 0 | 113.8 | S2950 I2996 R2997 | S2950-S2993 WeakPolarHBondContact OG-CB 3.38Å; S2993-I2996 PolarHBondContact O-N 3.02Å; S2993-I2996 WeakPolarHBondContact OG-CD1 3.28Å; S2993-I2996 VanDerWaalsContact OG-CG1 3.29Å; S2993-I2996 WeakPolarHBondContact OG-CG1 3.3Å; S2993-I2996 PolarHBondContact OG-N 3.29Å; S2993-R2997 PolarHBondContact O-N 3.03Å; S2993-R2997 PolarHBondContact O-NH1 3.24Å | ||
| 2994 | A | 86 | Confident | 86.8 | Confident | 20 Ų | 20 | 24.6 Ų | 24.6 | 17% | 0.165 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I2996 R2997 C2998 D3042 | A2994-I2996 VanDerWaalsContact C-N 3.33Å; A2994-I2996 PolarHBondContact O-N 3.27Å; A2994-R2997 WeakPolarHBondContact O-CB 3.39Å; A2994-R2997 PolarHBondContact O-N 3.16Å; A2994-C2998 WeakPolarHBondContact O-CB 3.41Å; A2994-C2998 PolarHBondContact O-N 3.15Å; A2994-D3042 HydrophobicContact CB-CB 4.29Å; A2994-D3042 VanDerWaalsContact CB-CG 3.46Å; A2994-D3042 VanDerWaalsContact CB-OD1 3.29Å; A2994-D3042 WeakPolarHBondContact CB-OD1 3.42Å; A2994-D3042 WeakPolarHBondContact CB-OD2 3.35Å |
| 2995 | P | 87 | Confident | 86.4 | Confident | 49.8 Ų | 49.8 | 22.4 Ų | 22.4 | 32% | 0.323 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -59 | -40.4 | 173.4 | -27.4 | 36.6 | 0 | 0 | 0 | 113.5 | Q2954 F2958 R2997 C2998 Q2999 | Q2954-P2995 HydrophobicContact CG-CB 4.34Å; F2958-P2995 HydrophobicContact CE1-CB 4.02Å; F2958-P2995 WeakPolarHBondContact CE1-O 3.37Å; F2958-P2995 HydrophobicContact CZ-CB 3.8Å; P2995-R2997 VanDerWaalsContact C-N 3.34Å; P2995-R2997 PolarHBondContact O-N 3.05Å; P2995-C2998 WeakPolarHBondContact O-CB 3.32Å; P2995-C2998 PolarHBondContact O-N 3.02Å; P2995-Q2999 WeakPolarHBondContact O-CB 3.29Å; P2995-Q2999 PolarHBondContact O-N 3.17Å |
| 2996 | I | 88 | Confident | 85.6 | Confident | 1.2 Ų | 1.2 | 24.4 Ų | 24.4 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.6 | -39.1 | 178.3 | -66.2 | 168.4 | 0 | 0 | 0 | 110.5 | F2958 L2961 L2989 I2992 S2993 A2994 Q2999 L3000 | F2958-I2996 HydrophobicContact CD1-CG1 4.08Å; F2958-I2996 HydrophobicContact CE1-CG1 4.08Å; L2961-I2996 HydrophobicContact CD2-CG2 4.33Å; L2989-I2996 HydrophobicContact CD1-CD1 4.46Å; L2989-I2996 HydrophobicContact CD1-CG2 4.3Å; L2989-I2996 HydrophobicContact CG-CG2 4.09Å; I2992-I2996 HydrophobicContact CB-CD1 4.25Å; I2992-I2996 HydrophobicContact CG2-CD1 4.31Å; S2993-I2996 PolarHBondContact O-N 3.02Å; S2993-I2996 WeakPolarHBondContact OG-CD1 3.28Å; S2993-I2996 VanDerWaalsContact OG-CG1 3.29Å; S2993-I2996 WeakPolarHBondContact OG-CG1 3.3Å; S2993-I2996 PolarHBondContact OG-N 3.29Å; A2994-I2996 VanDerWaalsContact C-N 3.33Å; A2994-I2996 PolarHBondContact O-N 3.27Å; I2996-Q2999 PolarHBondContact O-N 3.02Å; I2996-L3000 PolarHBondContact O-N 3.25Å |
| 2997 | R | 88.6 | Confident | 84.7 | Confident | 22.8 Ų | 22.8 | 26.9 Ų | 26.9 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 171.7 | -67.8 | -171.7 | -76.9 | -87.8 | 10.8 | 112 | I2990 S2991 S2993 A2994 P2995 Q2999 L3000 I3001 V3035 D3042 | I2990-R2997 HydrophobicContact CB-CG 4.11Å; I2990-R2997 VanDerWaalsContact O-CD 3.26Å; I2990-R2997 WeakPolarHBondContact O-CD 3.36Å; I2990-R2997 WeakPolarHBondContact O-CG 3.39Å; I2990-R2997 PolarHBondContact O-NH1 3.33Å; S2991-R2997 PolarHBondContact O-NH1 3.19Å; S2993-R2997 PolarHBondContact O-N 3.03Å; S2993-R2997 PolarHBondContact O-NH1 3.24Å; A2994-R2997 WeakPolarHBondContact O-CB 3.39Å; A2994-R2997 PolarHBondContact O-N 3.16Å; P2995-R2997 VanDerWaalsContact C-N 3.34Å; P2995-R2997 PolarHBondContact O-N 3.05Å; R2997-Q2999 VanDerWaalsContact C-N 3.3Å; R2997-Q2999 PolarHBondContact O-N 3.37Å; R2997-L3000 WeakPolarHBondContact O-CB 3.47Å; R2997-L3000 PolarHBondContact O-N 3.18Å; R2997-L3000 VanDerWaalsContact O-N 3.14Å; R2997-I3001 WeakPolarHBondContact O-CD1 3.39Å; R2997-I3001 WeakPolarHBondContact O-CG1 3.38Å; R2997-I3001 PolarHBondContact O-N 3.06Å; R2997-V3035 HydrophobicContact CB-CG2 3.84Å; R2997-V3035 HydrophobicContact CG-CG2 3.9Å; R2997-D3042 IonicContact CZ-OD1 3.38Å; R2997-D3042 IonicContact CZ-OD2 2.93Å; R2997-D3042 VanDerWaalsContact CZ-OD2 3.26Å; R2997-D3042 IonicContact NE-OD1 3.2Å; R2997-D3042 IonicContact NE-OD2 3.22Å; R2997-D3042 PolarHBondContact NE-OD2 3.28Å; R2997-D3042 IonicContact NH2-OD1 3.06Å; R2997-D3042 PolarHBondContact NH2-OD1 3.11Å; R2997-D3042 IonicContact NH2-OD2 3.12Å; R2997-D3042 PolarHBondContact NH2-OD2 3.26Å |
| 2998 | C | 85.4 | Confident | 83.7 | Confident | 24.4 Ų | 24.4 | 27.5 Ų | 27.5 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.8 | -41.3 | 176.9 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | A2994 P2995 L3000 I3001 K3002 V3045 P3198 | A2994-C2998 WeakPolarHBondContact O-CB 3.41Å; A2994-C2998 PolarHBondContact O-N 3.15Å; P2995-C2998 WeakPolarHBondContact O-CB 3.32Å; P2995-C2998 PolarHBondContact O-N 3.02Å; C2998-L3000 PolarHBondContact O-N 3.46Å; C2998-I3001 PolarHBondContact O-N 3.22Å; C2998-K3002 WeakPolarHBondContact O-CG 3.33Å; C2998-K3002 PolarHBondContact O-N 3.06Å; C2998-K3002 VanDerWaalsContact SG-CE 3.55Å; C2998-K3002 PolarHBondContact SG-NZ 3.08Å; C2998-V3045 HydrophobicContact CB-CG2 4.37Å; C2998-P3198 HydrophobicContact CB-CG 4.36Å |
| 2999 | Q | 85.9 | Confident | 82.3 | Confident | 52.4 Ų | 52.4 | 27.8 Ų | 27.8 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.4 | -39.3 | 176.3 | -171.2 | 64.6 | 4.4 | 0 | 0 | 112.3 | F2958 L2961 E2962 P2995 I2996 R2997 I3001 K3002 T3003 | F2958-Q2999 HydrophobicContact CB-CG 4.33Å; F2958-Q2999 HydrophobicContact CD1-CB 3.95Å; F2958-Q2999 HydrophobicContact CD1-CG 4.09Å; F2958-Q2999 HydrophobicContact CE1-CB 3.98Å; F2958-Q2999 HydrophobicContact CG-CB 4.47Å; F2958-Q2999 HydrophobicContact CG-CG 4.19Å; L2961-Q2999 HydrophobicContact CD2-CB 3.97Å; L2961-Q2999 HydrophobicContact CD2-CG 3.97Å; E2962-Q2999 PolarHBondContact OE1-NE2 3.18Å; E2962-Q2999 VanDerWaalsContact OE1-NE2 3.1Å; P2995-Q2999 WeakPolarHBondContact O-CB 3.29Å; P2995-Q2999 PolarHBondContact O-N 3.17Å; I2996-Q2999 PolarHBondContact O-N 3.02Å; R2997-Q2999 VanDerWaalsContact C-N 3.3Å; R2997-Q2999 PolarHBondContact O-N 3.37Å; Q2999-I3001 VanDerWaalsContact C-N 3.31Å; Q2999-I3001 PolarHBondContact O-N 3.1Å; Q2999-K3002 PolarHBondContact O-N 3.36Å; Q2999-T3003 HydrophobicContact CG-CG2 4.22Å; Q2999-T3003 PolarHBondContact NE2-OG1 3.18Å; Q2999-T3003 VanDerWaalsContact NE2-OG1 3.13Å; Q2999-T3003 VanDerWaalsContact O-CB 3.3Å; Q2999-T3003 WeakPolarHBondContact O-CB 3.41Å; Q2999-T3003 WeakPolarHBondContact O-CG2 3.36Å; Q2999-T3003 PolarHBondContact O-N 3.18Å; Q2999-T3003 PolarHBondContact O-OG1 3.19Å |
| 3000 | L | 87.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 173.3 | 174.3 | 66.1 | 0 | 0 | 0 | 110.7 | L2961 L2965 F2986 I2990 I2996 R2997 C2998 K3002 T3003 M3004 F3005 L3031 V3035 | L2961-L3000 HydrophobicContact CD1-CB 4.21Å; L2961-L3000 HydrophobicContact CD1-CD1 3.97Å; L2961-L3000 HydrophobicContact CD1-CG 4.44Å; L2961-L3000 HydrophobicContact CD2-CB 3.94Å; L2965-L3000 HydrophobicContact CD1-CD1 4.2Å; L2965-L3000 HydrophobicContact CD2-CD1 3.99Å; L2965-L3000 HydrophobicContact CG-CD1 4.44Å; F2986-L3000 HydrophobicContact CD1-CD1 4.45Å; F2986-L3000 HydrophobicContact CE1-CD1 4.15Å; I2990-L3000 HydrophobicContact CD1-CD2 4.12Å; I2990-L3000 HydrophobicContact CG2-CB 4.39Å; I2990-L3000 HydrophobicContact CG2-CD2 3.63Å; I2996-L3000 PolarHBondContact O-N 3.25Å; R2997-L3000 WeakPolarHBondContact O-CB 3.47Å; R2997-L3000 PolarHBondContact O-N 3.18Å; R2997-L3000 VanDerWaalsContact O-N 3.14Å; C2998-L3000 PolarHBondContact O-N 3.46Å; L3000-K3002 VanDerWaalsContact C-N 3.34Å; L3000-K3002 PolarHBondContact O-N 3.09Å; L3000-T3003 PolarHBondContact O-N 3.24Å; L3000-M3004 HydrophobicContact CD1-CB 3.72Å; L3000-M3004 HydrophobicContact CD1-CG 4.39Å; L3000-M3004 HydrophobicContact CD1-SD 3.83Å; L3000-M3004 HydrophobicContact CG-CB 4.4Å; L3000-M3004 VanDerWaalsContact O-CB 3.28Å; L3000-M3004 WeakPolarHBondContact O-CB 3.31Å; L3000-M3004 PolarHBondContact O-N 3.09Å; L3000-F3005 HydrophobicContact CD2-CE2 4.36Å; L3000-F3005 HydrophobicContact CG-CE2 4.41Å; L3000-L3031 HydrophobicContact CD2-CD2 4.4Å; L3000-V3035 HydrophobicContact CD2-CG2 3.84Å |
| 3001 | I | 83.6 | Confident | 80.4 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -60.2 | -47.9 | 180 | -65.9 | 163.3 | 0 | 0 | 0 | 110.4 | R2997 C2998 Q2999 T3003 F3005 L3006 V3035 V3045 I3050 P3198 L3202 | R2997-I3001 WeakPolarHBondContact O-CD1 3.39Å; R2997-I3001 WeakPolarHBondContact O-CG1 3.38Å; R2997-I3001 PolarHBondContact O-N 3.06Å; C2998-I3001 PolarHBondContact O-N 3.22Å; Q2999-I3001 VanDerWaalsContact C-N 3.31Å; Q2999-I3001 PolarHBondContact O-N 3.1Å; I3001-T3003 PolarHBondContact O-N 3.4Å; I3001-F3005 HydrophobicContact CB-CD2 4.19Å; I3001-F3005 HydrophobicContact CG1-CD2 3.94Å; I3001-F3005 HydrophobicContact CG1-CE2 4.35Å; I3001-F3005 HydrophobicContact CG2-CB 4.47Å; I3001-F3005 HydrophobicContact CG2-CD2 4.31Å; I3001-F3005 WeakPolarHBondContact O-CA 3.26Å; I3001-F3005 WeakPolarHBondContact O-CB 3.43Å; I3001-F3005 PolarHBondContact O-N 3.15Å; I3001-F3005 VanDerWaalsContact O-N 3.09Å; I3001-L3006 HydrophobicContact CG2-CD1 3.87Å; I3001-L3006 HydrophobicContact CG2-CG 4.1Å; I3001-L3006 WeakPolarHBondContact O-CG 3.49Å; I3001-L3006 PolarHBondContact O-N 3.27Å; I3001-V3035 HydrophobicContact CD1-CG1 3.85Å; I3001-V3035 HydrophobicContact CD1-CG2 4.06Å; I3001-V3035 HydrophobicContact CG1-CG1 3.8Å; I3001-V3035 HydrophobicContact CG1-CG2 4.17Å; I3001-V3045 HydrophobicContact CD1-CG1 3.85Å; I3001-I3050 HydrophobicContact CD1-CD1 3.79Å; I3001-I3050 HydrophobicContact CD1-CG1 4.23Å; I3001-I3050 HydrophobicContact CG1-CD1 4.06Å; I3001-I3050 HydrophobicContact CG2-CD1 3.87Å; I3001-I3050 HydrophobicContact CG2-CG1 3.95Å; I3001-P3198 HydrophobicContact CD1-CB 3.83Å; I3001-P3198 HydrophobicContact CD1-CG 4.27Å; I3001-P3198 HydrophobicContact CG2-CB 4.47Å; I3001-L3202 HydrophobicContact CD1-CD2 4.38Å; I3001-L3202 HydrophobicContact CG1-CD2 4.07Å; I3001-L3202 HydrophobicContact CG2-CB 4.34Å; I3001-L3202 HydrophobicContact CG2-CD2 4.27Å |
| 3002 | K | 81 | Confident | 79.8 | Confident | 85 Ų | 85 | 30.8 Ų | 30.8 | 37% | 0.37 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -59.8 | -48.8 | 176.7 | -72.4 | 176.5 | 179.9 | -177.9 | 0 | 112.5 | C2998 Q2999 L3000 L3006 A3007 C3047 D3049 | C2998-K3002 WeakPolarHBondContact O-CG 3.33Å; C2998-K3002 PolarHBondContact O-N 3.06Å; C2998-K3002 VanDerWaalsContact SG-CE 3.55Å; C2998-K3002 PolarHBondContact SG-NZ 3.08Å; Q2999-K3002 PolarHBondContact O-N 3.36Å; L3000-K3002 VanDerWaalsContact C-N 3.34Å; L3000-K3002 PolarHBondContact O-N 3.09Å; K3002-L3006 HydrophobicContact CG-CD1 4.19Å; K3002-L3006 CarbonylContact O-C 3.53Å; K3002-L3006 VanDerWaalsContact O-C 3.27Å; K3002-L3006 PolarHBondContact O-N 2.94Å; K3002-A3007 WeakPolarHBondContact O-CA 3.43Å; K3002-A3007 WeakPolarHBondContact O-CB 3.49Å; K3002-A3007 PolarHBondContact O-N 2.97Å; K3002-A3007 VanDerWaalsContact O-N 3.08Å; K3002-C3047 WeakPolarHBondContact CE-SG 3.35Å; K3002-D3049 WeakPolarHBondContact CE-OD2 3.29Å; K3002-D3049 IonicContact NZ-OD2 3.15Å; K3002-D3049 PolarHBondContact NZ-OD2 3.28Å |
| 3003 | T | 79.7 | Confident | 79.1 | Confident | 33.5 Ų | 33.5 | 31.7 Ų | 31.7 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -83.5 | -34.7 | -170.4 | -28.4 | 0 | 0 | 0 | 0 | 113.6 | E2962 L2965 Q2999 L3000 I3001 A3007 | E2962-T3003 HydrophobicContact CG-CG2 4.43Å; L2965-T3003 HydrophobicContact CD1-CG2 3.89Å; L2965-T3003 WeakPolarHBondContact CD1-OG1 3.48Å; Q2999-T3003 HydrophobicContact CG-CG2 4.22Å; Q2999-T3003 PolarHBondContact NE2-OG1 3.18Å; Q2999-T3003 VanDerWaalsContact NE2-OG1 3.13Å; Q2999-T3003 VanDerWaalsContact O-CB 3.3Å; Q2999-T3003 WeakPolarHBondContact O-CB 3.41Å; Q2999-T3003 WeakPolarHBondContact O-CG2 3.36Å; Q2999-T3003 PolarHBondContact O-N 3.18Å; Q2999-T3003 PolarHBondContact O-OG1 3.19Å; L3000-T3003 PolarHBondContact O-N 3.24Å; I3001-T3003 PolarHBondContact O-N 3.4Å; T3003-A3007 WeakPolarHBondContact O-CB 3.28Å |
| 3004 | M | 81.7 | Confident | 78.5 | Confident | 4.25 Ų | 4.25 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -94 | -41.1 | -177.7 | -174.9 | 176 | 172.7 | 0 | 0 | 113.1 | L2965 F2969 F2986 L3000 Q3011 I3012 L3015 M3024 L3031 | L2965-M3004 HydrophobicContact CD1-CB 4.26Å; L2965-M3004 HydrophobicContact CD2-CB 3.82Å; L2965-M3004 HydrophobicContact CD2-CG 3.92Å; L2965-M3004 HydrophobicContact CD2-SD 3.93Å; F2969-M3004 HydrophobicContact CZ-CG 4.37Å; F2986-M3004 HydrophobicContact CZ-SD 4.35Å; L3000-M3004 HydrophobicContact CD1-CB 3.72Å; L3000-M3004 HydrophobicContact CD1-CG 4.39Å; L3000-M3004 HydrophobicContact CD1-SD 3.83Å; L3000-M3004 HydrophobicContact CG-CB 4.4Å; L3000-M3004 VanDerWaalsContact O-CB 3.28Å; L3000-M3004 WeakPolarHBondContact O-CB 3.31Å; L3000-M3004 PolarHBondContact O-N 3.09Å; M3004-Q3011 WeakPolarHBondContact O-CG 3.39Å; M3004-Q3011 PolarHBondContact O-NE2 3.36Å; M3004-I3012 HydrophobicContact CE-CG1 3.97Å; M3004-I3012 HydrophobicContact CG-CD1 4.15Å; M3004-I3012 HydrophobicContact CG-CG1 4.38Å; M3004-I3012 WeakPolarHBondContact O-CD1 3.33Å; M3004-L3015 HydrophobicContact CE-CD1 4.09Å; M3004-L3015 HydrophobicContact CE-CD2 4.42Å; M3004-L3015 HydrophobicContact CG-CD1 4.35Å; M3004-M3024 HydrophobicContact CE-CE 4.4Å; M3004-L3031 HydrophobicContact CE-CD1 4Å; M3004-L3031 HydrophobicContact CE-CD2 4.18Å; M3004-L3031 HydrophobicContact SD-CD1 4.02Å; M3004-L3031 HydrophobicContact SD-CD2 3.82Å |
| 3005 | F | 78.8 | Confident | 78.2 | Confident | 2.75 Ų | 2.75 | 33.6 Ų | 33.6 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -105.1 | -31.6 | -170.8 | -59.8 | -57.3 | 0 | 0 | 0 | 113.9 | L3000 I3001 I3012 L3015 L3031 I3032 V3035 F3054 L3202 | L3000-F3005 HydrophobicContact CD2-CE2 4.36Å; L3000-F3005 HydrophobicContact CG-CE2 4.41Å; I3001-F3005 HydrophobicContact CB-CD2 4.19Å; I3001-F3005 HydrophobicContact CG1-CD2 3.94Å; I3001-F3005 HydrophobicContact CG1-CE2 4.35Å; I3001-F3005 HydrophobicContact CG2-CB 4.47Å; I3001-F3005 HydrophobicContact CG2-CD2 4.31Å; I3001-F3005 WeakPolarHBondContact O-CA 3.26Å; I3001-F3005 WeakPolarHBondContact O-CB 3.43Å; I3001-F3005 PolarHBondContact O-N 3.15Å; I3001-F3005 VanDerWaalsContact O-N 3.09Å; F3005-I3012 HydrophobicContact CB-CD1 4.31Å; F3005-I3012 HydrophobicContact CB-CG1 4.08Å; F3005-I3012 HydrophobicContact CD1-CD1 3.48Å; F3005-I3012 VanDerWaalsContact CD1-CD1 3.48Å; F3005-I3012 HydrophobicContact CD1-CG1 4.2Å; F3005-I3012 HydrophobicContact CE1-CD1 4.07Å; F3005-I3012 HydrophobicContact CE1-CG1 3.78Å; F3005-I3012 HydrophobicContact CG-CD1 4.37Å; F3005-I3012 WeakPolarHBondContact O-CG1 3.21Å; F3005-L3015 HydrophobicContact CD1-CD1 3.98Å; F3005-L3015 HydrophobicContact CE1-CD1 4Å; F3005-L3031 HydrophobicContact CZ-CB 4.17Å; F3005-I3032 HydrophobicContact CD1-CD1 4.33Å; F3005-I3032 HydrophobicContact CD1-CG1 4.16Å; F3005-I3032 HydrophobicContact CD2-CG1 4.37Å; F3005-I3032 HydrophobicContact CE1-CD1 3.92Å; F3005-I3032 HydrophobicContact CE1-CG1 3.56Å; F3005-I3032 HydrophobicContact CE2-CG1 4.03Å; F3005-I3032 HydrophobicContact CG-CG1 4.38Å; F3005-I3032 HydrophobicContact CZ-CD1 4.3Å; F3005-I3032 HydrophobicContact CZ-CG1 3.52Å; F3005-I3032 VanDerWaalsContact CZ-CG1 3.42Å; F3005-V3035 HydrophobicContact CE2-CG1 4.27Å; F3005-F3054 AromaticContact CD1-CE2 3.63Å; F3005-F3054 HydrophobicContact CD1-CE2 3.63Å; F3005-F3054 AromaticContact CD1-CZ 3.87Å; F3005-F3054 HydrophobicContact CD1-CZ 3.87Å; F3005-F3054 AromaticContact CE1-CE2 3.86Å; F3005-F3054 HydrophobicContact CE1-CE2 3.86Å; F3005-F3054 AromaticContact CE1-CZ 3.78Å; F3005-F3054 HydrophobicContact CE1-CZ 3.78Å; F3005-F3054 HydrophobicContact CG-CE2 4.22Å; F3005-L3202 HydrophobicContact CB-CD1 3.82Å; F3005-L3202 HydrophobicContact CD2-CD1 4.28Å; F3005-L3202 HydrophobicContact CD2-CD2 3.75Å; F3005-L3202 HydrophobicContact CE2-CD2 4.15Å; F3005-L3202 HydrophobicContact CG-CD1 4.06Å; F3005-L3202 HydrophobicContact CG-CD2 4.35Å |
| 3006 | L | 73.9 | Confident | 77.7 | Confident | 41.75 Ų | 41.75 | 31.8 Ų | 31.8 | 22% | 0.219 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -109 | -2.6 | -176 | -53.8 | -178.2 | 0 | 0 | 0 | 114 | I3001 K3002 S3008 D3049 I3050 S3053 L3205 | I3001-L3006 HydrophobicContact CG2-CD1 3.87Å; I3001-L3006 HydrophobicContact CG2-CG 4.1Å; I3001-L3006 WeakPolarHBondContact O-CG 3.49Å; I3001-L3006 PolarHBondContact O-N 3.27Å; K3002-L3006 HydrophobicContact CG-CD1 4.19Å; K3002-L3006 CarbonylContact O-C 3.53Å; K3002-L3006 VanDerWaalsContact O-C 3.27Å; K3002-L3006 PolarHBondContact O-N 2.94Å; L3006-S3008 VanDerWaalsContact C-N 3.31Å; L3006-S3008 PolarHBondContact O-N 3.14Å; L3006-D3049 HydrophobicContact CD1-CB 4.09Å; L3006-I3050 HydrophobicContact CD1-CD1 4.01Å; L3006-I3050 HydrophobicContact CD1-CG1 3.88Å; L3006-I3050 HydrophobicContact CD1-CG2 4.28Å; L3006-S3053 WeakPolarHBondContact CD2-OG 3.43Å; L3006-S3053 PolarHBondContact O-OG 3.22Å; L3006-S3053 VanDerWaalsContact O-OG 3.1Å; L3006-L3205 HydrophobicContact CD2-CD1 3.62Å |
| 3007 | A | 71.3 | Confident | 77 | Confident | 55.5 Ų | 55.5 | 32.6 Ų | 32.6 | 46% | 0.459 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -69.5 | -21.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V2400 K3002 T3003 | V2400-A3007 HydrophobicContact CG2-CB 3.72Å; V2400-A3007 WeakPolarHBondContact CG2-O 3.42Å; K3002-A3007 WeakPolarHBondContact O-CA 3.43Å; K3002-A3007 WeakPolarHBondContact O-CB 3.49Å; K3002-A3007 PolarHBondContact O-N 2.97Å; K3002-A3007 VanDerWaalsContact O-N 3.08Å; T3003-A3007 WeakPolarHBondContact O-CB 3.28Å |
| 3008 | S | 67.2 | Low | 76.2 | Confident | 33 Ų | 33 | 34.3 Ų | 34.3 | 23% | 0.231 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -147.4 | 135.5 | 169.7 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | L3006 D3010 Q3011 | L3006-S3008 VanDerWaalsContact C-N 3.31Å; L3006-S3008 PolarHBondContact O-N 3.14Å; S3008-D3010 VanDerWaalsContact C-N 3.28Å; S3008-D3010 PolarHBondContact O-N 3.07Å; S3008-D3010 VanDerWaalsContact O-N 3.13Å; S3008-Q3011 VanDerWaalsContact CB-CD 3.44Å; S3008-Q3011 VanDerWaalsContact O-CB 3.27Å; S3008-Q3011 WeakPolarHBondContact O-CB 3.33Å; S3008-Q3011 PolarHBondContact O-N 2.93Å; S3008-Q3011 VanDerWaalsContact O-N 3.14Å; S3008-Q3011 WeakPolarHBondContact OG-CB 3.32Å; S3008-Q3011 PolarHBondContact OG-N 3.1Å; S3008-Q3011 PolarHBondContact OG-NE2 3.5Å; S3008-Q3011 VanDerWaalsContact OG-NE2 3.15Å; S3008-Q3011 PolarHBondContact OG-OE1 3.47Å; S3008-Q3011 VanDerWaalsContact OG-OE1 3.12Å |
| 3009 | P | 62.1 | Low | 75.8 | Confident | 62.75 Ų | 62.75 | 33.4 Ų | 33.4 | 41% | 0.407 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -36.1 | 178 | 8.1 | -16.1 | 0 | 0 | 0 | 113.1 | Q3011 I3012 R3013 L3057 | P3009-Q3011 VanDerWaalsContact C-N 3.35Å; P3009-Q3011 PolarHBondContact O-N 3.47Å; P3009-I3012 PolarHBondContact O-N 3.45Å; P3009-R3013 PolarHBondContact O-N 2.9Å; P3009-L3057 HydrophobicContact CB-CB 3.98Å; P3009-L3057 HydrophobicContact CB-CD1 3.61Å; P3009-L3057 HydrophobicContact CB-CD2 3.9Å; P3009-L3057 HydrophobicContact CB-CG 4.11Å; P3009-L3057 WeakPolarHBondContact O-CD2 3.39Å |
| 3010 | D | 66.2 | Low | 75.2 | Confident | 83.75 Ų | 83.75 | 33.9 Ų | 33.9 | 45% | 0.448 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -7.3 | 179.2 | -68 | -64 | 0 | 0 | 0 | 113.9 | S3008 I3012 R3013 F3014 | S3008-D3010 VanDerWaalsContact C-N 3.28Å; S3008-D3010 PolarHBondContact O-N 3.07Å; S3008-D3010 VanDerWaalsContact O-N 3.13Å; D3010-I3012 PolarHBondContact O-N 3.33Å; D3010-R3013 HydrophobicContact CB-CB 4.49Å; D3010-R3013 CarbonylContact O-C 3.51Å; D3010-R3013 WeakPolarHBondContact O-CA 3.4Å; D3010-R3013 WeakPolarHBondContact O-CB 3.45Å; D3010-R3013 PolarHBondContact O-N 3.28Å; D3010-R3013 VanDerWaalsContact O-N 3.08Å; D3010-R3013 WeakPolarHBondContact OD1-CD 3.45Å; D3010-R3013 IonicContact OD1-CZ 2.91Å; D3010-R3013 IonicContact OD1-NH1 3.41Å; D3010-R3013 PolarHBondContact OD1-NH1 3.22Å; D3010-R3013 VanDerWaalsContact OD1-NH1 3.13Å; D3010-F3014 VanDerWaalsContact O-CB 3.23Å; D3010-F3014 WeakPolarHBondContact O-CB 3.34Å; D3010-F3014 PolarHBondContact O-N 3.22Å |
| 3011 | Q | 72.9 | Confident | 74.7 | Confident | 23.75 Ų | 23.75 | 36.2 Ų | 36.2 | 11% | 0.111 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | -173.2 | -149.8 | 84 | 23.9 | 0 | 0 | 113.3 | P2399 F2969 M3004 S3008 P3009 R3013 F3014 L3015 | P2399-Q3011 PolarHBondContact O-NE2 2.75Å; P2399-Q3011 PolarHBondContact O-OE1 2.91Å; F2969-Q3011 HydrophobicContact CZ-CB 4.38Å; F2969-Q3011 VanDerWaalsContact CZ-OE1 3.24Å; M3004-Q3011 WeakPolarHBondContact O-CG 3.39Å; M3004-Q3011 PolarHBondContact O-NE2 3.36Å; S3008-Q3011 VanDerWaalsContact CB-CD 3.44Å; S3008-Q3011 VanDerWaalsContact O-CB 3.27Å; S3008-Q3011 WeakPolarHBondContact O-CB 3.33Å; S3008-Q3011 PolarHBondContact O-N 2.93Å; S3008-Q3011 VanDerWaalsContact O-N 3.14Å; S3008-Q3011 WeakPolarHBondContact OG-CB 3.32Å; S3008-Q3011 PolarHBondContact OG-N 3.1Å; S3008-Q3011 PolarHBondContact OG-NE2 3.5Å; S3008-Q3011 VanDerWaalsContact OG-NE2 3.15Å; S3008-Q3011 PolarHBondContact OG-OE1 3.47Å; S3008-Q3011 VanDerWaalsContact OG-OE1 3.12Å; P3009-Q3011 VanDerWaalsContact C-N 3.35Å; P3009-Q3011 PolarHBondContact O-N 3.47Å; Q3011-R3013 VanDerWaalsContact C-N 3.33Å; Q3011-F3014 PolarHBondContact O-N 3.05Å; Q3011-L3015 HydrophobicContact CG-CD1 4.42Å; Q3011-L3015 WeakPolarHBondContact O-CB 3.4Å; Q3011-L3015 WeakPolarHBondContact O-CG 3.31Å; Q3011-L3015 PolarHBondContact O-N 3.09Å |
| 3012 | I | 75.2 | Confident | 74.4 | Confident | 3.5 Ų | 3.5 | 37 Ų | 37 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | 176.1 | -62.2 | 162.3 | 0 | 0 | 0 | 110.3 | M3004 F3005 P3009 D3010 F3014 L3015 Q3016 I3032 F3054 L3057 L3202 L3205 I3206 | M3004-I3012 HydrophobicContact CE-CG1 3.97Å; M3004-I3012 HydrophobicContact CG-CD1 4.15Å; M3004-I3012 HydrophobicContact CG-CG1 4.38Å; M3004-I3012 WeakPolarHBondContact O-CD1 3.33Å; F3005-I3012 HydrophobicContact CB-CD1 4.31Å; F3005-I3012 HydrophobicContact CB-CG1 4.08Å; F3005-I3012 HydrophobicContact CD1-CD1 3.48Å; F3005-I3012 VanDerWaalsContact CD1-CD1 3.48Å; F3005-I3012 HydrophobicContact CD1-CG1 4.2Å; F3005-I3012 HydrophobicContact CE1-CD1 4.07Å; F3005-I3012 HydrophobicContact CE1-CG1 3.78Å; F3005-I3012 HydrophobicContact CG-CD1 4.37Å; F3005-I3012 WeakPolarHBondContact O-CG1 3.21Å; P3009-I3012 PolarHBondContact O-N 3.45Å; D3010-I3012 PolarHBondContact O-N 3.33Å; I3012-F3014 VanDerWaalsContact C-N 3.32Å; I3012-F3014 PolarHBondContact O-N 3.23Å; I3012-L3015 PolarHBondContact O-N 3.14Å; I3012-Q3016 HydrophobicContact CG2-CG 4.2Å; I3012-Q3016 WeakPolarHBondContact O-CB 3.33Å; I3012-Q3016 WeakPolarHBondContact O-CG 3.34Å; I3012-Q3016 PolarHBondContact O-N 3.14Å; I3012-I3032 HydrophobicContact CG2-CD1 3.95Å; I3012-F3054 HydrophobicContact CD1-CD2 4Å; I3012-F3054 HydrophobicContact CD1-CE2 3.96Å; I3012-F3054 HydrophobicContact CG2-CD1 4.44Å; I3012-F3054 HydrophobicContact CG2-CD2 4.17Å; I3012-F3054 HydrophobicContact CG2-CE1 3.95Å; I3012-F3054 HydrophobicContact CG2-CE2 3.68Å; I3012-F3054 HydrophobicContact CG2-CZ 3.82Å; I3012-L3057 HydrophobicContact CB-CD1 4.32Å; I3012-L3057 HydrophobicContact CG2-CD1 4.44Å; I3012-L3057 HydrophobicContact CG2-CD2 4.44Å; I3012-L3202 HydrophobicContact CD1-CD1 3.46Å; I3012-L3205 HydrophobicContact CB-CD2 4.47Å; I3012-L3205 HydrophobicContact CD1-CB 4.13Å; I3012-L3205 HydrophobicContact CD1-CD1 4.34Å; I3012-L3205 HydrophobicContact CD1-CD2 3.77Å; I3012-L3205 HydrophobicContact CG1-CD2 4.27Å; I3012-I3206 HydrophobicContact CD1-CG1 4.17Å; I3012-I3206 HydrophobicContact CG2-CG1 4.27Å |
| 3013 | R | 72.3 | Confident | 74.4 | Confident | 45.75 Ų | 45.75 | 34.4 Ų | 34.4 | 17% | 0.173 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.5 | -173.6 | -173.4 | 173.4 | 174 | 3.2 | 110.9 | P3009 D3010 Q3011 F3017 H3018 L3057 T3216 L3217 L3219 S3220 | P3009-R3013 PolarHBondContact O-N 2.9Å; D3010-R3013 HydrophobicContact CB-CB 4.49Å; D3010-R3013 CarbonylContact O-C 3.51Å; D3010-R3013 WeakPolarHBondContact O-CA 3.4Å; D3010-R3013 WeakPolarHBondContact O-CB 3.45Å; D3010-R3013 PolarHBondContact O-N 3.28Å; D3010-R3013 VanDerWaalsContact O-N 3.08Å; D3010-R3013 WeakPolarHBondContact OD1-CD 3.45Å; D3010-R3013 IonicContact OD1-CZ 2.91Å; D3010-R3013 IonicContact OD1-NH1 3.41Å; D3010-R3013 PolarHBondContact OD1-NH1 3.22Å; D3010-R3013 VanDerWaalsContact OD1-NH1 3.13Å; Q3011-R3013 VanDerWaalsContact C-N 3.33Å; R3013-F3017 HydrophobicContact CB-CD2 4.42Å; R3013-F3017 HydrophobicContact CG-CB 4.45Å; R3013-F3017 HydrophobicContact CG-CD2 4.18Å; R3013-F3017 WeakPolarHBondContact O-CA 3.04Å; R3013-F3017 WeakPolarHBondContact O-CB 3.37Å; R3013-F3017 WeakPolarHBondContact O-CD2 3.41Å; R3013-F3017 PolarHBondContact O-N 3.11Å; R3013-H3018 PolarHBondContact NE-NE2 3.35Å; R3013-H3018 PolarHBondContact O-N 2.86Å; R3013-H3018 VanDerWaalsContact O-N 3.08Å; R3013-L3057 HydrophobicContact CB-CD1 4.06Å; R3013-L3057 HydrophobicContact CB-CD2 3.8Å; R3013-L3057 HydrophobicContact CB-CG 4.03Å; R3013-L3057 HydrophobicContact CG-CD2 4.09Å; R3013-L3057 HydrophobicContact CG-CG 4.44Å; R3013-T3216 PolarHBondContact NH2-O 3.2Å; R3013-L3217 HydrophobicContact CG-CD2 4.45Å; R3013-L3217 VanDerWaalsContact CZ-O 3.31Å; R3013-L3217 PolarHBondContact NE-O 3.34Å; R3013-L3217 PolarHBondContact NH2-O 2.89Å; R3013-L3219 PolarHBondContact NH2-O 3.27Å; R3013-S3220 PolarHBondContact NH2-OG 3.01Å |
| 3014 | F | 74.8 | Confident | 74.5 | Confident | 71.25 Ų | 71.25 | 33.1 Ų | 33.1 | 31% | 0.313 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -63.3 | -48.4 | 176 | -175.5 | -97.1 | 0 | 0 | 0 | 111.8 | F2402 W2404 D3010 Q3011 I3012 Q3016 H3018 C3019 | F2402-F3014 HydrophobicContact CB-CD1 4.14Å; F2402-F3014 HydrophobicContact CB-CE1 3.59Å; F2402-F3014 HydrophobicContact CB-CE2 4.16Å; F2402-F3014 HydrophobicContact CB-CZ 3.61Å; F2402-F3014 AromaticContact CD1-CE1 3.79Å; F2402-F3014 HydrophobicContact CD1-CE1 4.03Å; F2402-F3014 AromaticContact CD1-CZ 3.72Å; F2402-F3014 HydrophobicContact CD1-CZ 3.72Å; F2402-F3014 AromaticContact CD2-CD1 3.79Å; F2402-F3014 HydrophobicContact CD2-CD1 3.79Å; F2402-F3014 AromaticContact CD2-CE1 3.54Å; F2402-F3014 HydrophobicContact CD2-CE1 3.54Å; F2402-F3014 HydrophobicContact CD2-CZ 4.4Å; F2402-F3014 HydrophobicContact CE2-CD1 4.49Å; F2402-F3014 HydrophobicContact CE2-CE1 4.44Å; F2402-F3014 HydrophobicContact CG-CD1 4.19Å; F2402-F3014 AromaticContact CG-CE1 3.46Å; F2402-F3014 HydrophobicContact CG-CE1 3.92Å; F2402-F3014 VanDerWaalsContact CG-CE1 3.46Å; F2402-F3014 HydrophobicContact CG-CZ 4.18Å; F2402-F3014 VanDerWaalsContact O-CE2 3.24Å; F2402-F3014 WeakPolarHBondContact O-CE2 3.5Å; F2402-F3014 WeakPolarHBondContact O-CZ 3.42Å; W2404-F3014 AromaticContact CD1-CE2 3.51Å; W2404-F3014 AromaticContact CD1-CZ 3.63Å; W2404-F3014 HydrophobicContact CD2-CE1 4.29Å; W2404-F3014 HydrophobicContact CD2-CZ 4.37Å; W2404-F3014 AromaticContact CE2-CE1 3.44Å; W2404-F3014 AromaticContact CE2-CZ 3.61Å; W2404-F3014 HydrophobicContact CG-CZ 4.11Å; W2404-F3014 HydrophobicContact CH2-CE1 4.03Å; W2404-F3014 AromaticContact CZ2-CD1 3.73Å; W2404-F3014 HydrophobicContact CZ2-CD1 4.01Å; W2404-F3014 AromaticContact CZ2-CE1 3.45Å; W2404-F3014 HydrophobicContact CZ2-CE1 3.45Å; W2404-F3014 AromaticContact CZ2-CZ 3.89Å; W2404-F3014 HydrophobicContact CZ2-CZ 4.1Å; W2404-F3014 AromaticContact NE1-CD1 3.82Å; W2404-F3014 AromaticContact NE1-CD2 3.9Å; W2404-F3014 AromaticContact NE1-CE1 3.34Å; W2404-F3014 VanDerWaalsContact NE1-CE1 3.31Å; W2404-F3014 AromaticContact NE1-CE2 3.4Å; W2404-F3014 AromaticContact NE1-CZ 3.07Å; W2404-F3014 PolarHBondContact NE1-O 3.14Å; D3010-F3014 VanDerWaalsContact O-CB 3.23Å; D3010-F3014 WeakPolarHBondContact O-CB 3.34Å; D3010-F3014 PolarHBondContact O-N 3.22Å; Q3011-F3014 PolarHBondContact O-N 3.05Å; I3012-F3014 VanDerWaalsContact C-N 3.32Å; I3012-F3014 PolarHBondContact O-N 3.23Å; F3014-Q3016 PolarHBondContact O-N 3.32Å; F3014-H3018 HydrophobicContact CD2-CB 3.91Å; F3014-H3018 HydrophobicContact CE2-CB 4.18Å; F3014-H3018 HydrophobicContact CG-CB 4.41Å; F3014-H3018 CarbonylContact O-C 3.45Å; F3014-H3018 WeakPolarHBondContact O-CA 3.04Å; F3014-H3018 PolarHBondContact O-N 3.04Å; F3014-C3019 WeakPolarHBondContact O-CB 3.45Å; F3014-C3019 PolarHBondContact O-N 3Å; F3014-C3019 VanDerWaalsContact O-N 3.07Å |
| 3015 | L | 77.9 | Confident | 74.6 | Confident | 4.5 Ų | 4.5 | 33.7 Ų | 33.7 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -66 | -37.5 | 179.7 | -76.5 | 172.5 | 0 | 0 | 0 | 113.8 | W2404 F2969 M3004 F3005 Q3011 I3012 C3019 M3024 R3025 | W2404-L3015 HydrophobicContact CZ2-CD2 4.31Å; F2969-L3015 HydrophobicContact CE1-CD1 3.55Å; F2969-L3015 HydrophobicContact CE1-CD2 4.01Å; F2969-L3015 HydrophobicContact CE1-CG 3.79Å; F2969-L3015 HydrophobicContact CZ-CD1 3.71Å; F2969-L3015 HydrophobicContact CZ-CD2 4.18Å; F2969-L3015 HydrophobicContact CZ-CG 4.42Å; M3004-L3015 HydrophobicContact CE-CD1 4.09Å; M3004-L3015 HydrophobicContact CE-CD2 4.42Å; M3004-L3015 HydrophobicContact CG-CD1 4.35Å; F3005-L3015 HydrophobicContact CD1-CD1 3.98Å; F3005-L3015 HydrophobicContact CE1-CD1 4Å; Q3011-L3015 HydrophobicContact CG-CD1 4.42Å; Q3011-L3015 WeakPolarHBondContact O-CB 3.4Å; Q3011-L3015 WeakPolarHBondContact O-CG 3.31Å; Q3011-L3015 PolarHBondContact O-N 3.09Å; I3012-L3015 PolarHBondContact O-N 3.14Å; L3015-C3019 WeakPolarHBondContact O-CB 3.35Å; L3015-M3024 HydrophobicContact CD2-CE 3.99Å; L3015-R3025 WeakPolarHBondContact O-CG 3.4Å |
| 3016 | Q | 76.5 | Confident | 74.8 | Confident | 11.5 Ų | 11.5 | 34.6 Ų | 34.6 | 5% | 0.054 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -93.8 | -35.8 | -175.2 | -64.9 | -76.8 | -39.4 | 0 | 0 | 114.2 | I3012 F3014 R3025 S3028 I3032 I3302 Y3306 I3309 | I3012-Q3016 HydrophobicContact CG2-CG 4.2Å; I3012-Q3016 WeakPolarHBondContact O-CB 3.33Å; I3012-Q3016 WeakPolarHBondContact O-CG 3.34Å; I3012-Q3016 PolarHBondContact O-N 3.14Å; F3014-Q3016 PolarHBondContact O-N 3.32Å; Q3016-R3025 PolarHBondContact NE2-O 3.1Å; Q3016-R3025 VanDerWaalsContact O-CD 3.23Å; Q3016-R3025 WeakPolarHBondContact O-CD 3.34Å; Q3016-S3028 PolarHBondContact NE2-OG 3.1Å; Q3016-I3032 HydrophobicContact CG-CD1 4.36Å; Q3016-I3032 VanDerWaalsContact NE2-CD1 3.33Å; Q3016-I3302 WeakPolarHBondContact O-CG2 3.45Å; Q3016-Y3306 HydrophobicContact CB-CD2 4.16Å; Q3016-Y3306 HydrophobicContact CB-CE2 4.29Å; Q3016-Y3306 HydrophobicContact CG-CD2 4.29Å; Q3016-Y3306 HydrophobicContact CG-CE2 4.41Å; Q3016-I3309 HydrophobicContact CG-CD1 4.31Å |
| 3017 | F | 74.2 | Confident | 75.2 | Confident | 18.25 Ų | 18.25 | 32.8 Ų | 32.8 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -111.4 | -38.9 | -171.9 | -59.2 | -79.3 | 0 | 0 | 0 | 113.7 | R3013 L3057 R3154 I3155 A3158 L3217 P3298 I3302 W3303 Y3306 | R3013-F3017 HydrophobicContact CB-CD2 4.42Å; R3013-F3017 HydrophobicContact CG-CB 4.45Å; R3013-F3017 HydrophobicContact CG-CD2 4.18Å; R3013-F3017 WeakPolarHBondContact O-CA 3.04Å; R3013-F3017 WeakPolarHBondContact O-CB 3.37Å; R3013-F3017 WeakPolarHBondContact O-CD2 3.41Å; R3013-F3017 PolarHBondContact O-N 3.11Å; F3017-L3057 HydrophobicContact CD2-CD2 3.94Å; F3017-L3057 HydrophobicContact CE2-CD2 3.61Å; F3017-L3057 HydrophobicContact CZ-CD2 4.5Å; F3017-R3154 HydrophobicContact CB-CB 4.2Å; F3017-R3154 HydrophobicContact CD1-CB 3.9Å; F3017-R3154 HydrophobicContact CE1-CB 4.44Å; F3017-R3154 HydrophobicContact CG-CB 4.31Å; F3017-R3154 VanDerWaalsContact O-CD 3.29Å; F3017-R3154 WeakPolarHBondContact O-CD 3.47Å; F3017-R3154 PolarHBondContact O-NH1 3.08Å; F3017-I3155 HydrophobicContact CD1-CG1 4.3Å; F3017-A3158 HydrophobicContact CE1-CB 4.18Å; F3017-A3158 HydrophobicContact CE2-CB 4.29Å; F3017-A3158 HydrophobicContact CZ-CB 3.45Å; F3017-A3158 VanDerWaalsContact CZ-CB 3.45Å; F3017-L3217 HydrophobicContact CE2-CD1 4.33Å; F3017-L3217 HydrophobicContact CE2-CD2 4.37Å; F3017-L3217 HydrophobicContact CZ-CD1 4.01Å; F3017-P3298 HydrophobicContact CD1-CB 4.35Å; F3017-P3298 HydrophobicContact CD1-CG 4.4Å; F3017-I3302 HydrophobicContact CB-CG2 4.43Å; F3017-I3302 HydrophobicContact CD1-CG2 3.59Å; F3017-I3302 HydrophobicContact CE1-CG2 4.17Å; F3017-I3302 HydrophobicContact CG-CG2 4.34Å; F3017-W3303 HydrophobicContact CE1-CD2 4.2Å; F3017-W3303 AromaticContact CE1-CE3 3.96Å; F3017-W3303 HydrophobicContact CE1-CE3 4.09Å; F3017-W3303 AromaticContact CE1-CH2 3.79Å; F3017-W3303 HydrophobicContact CE1-CH2 3.79Å; F3017-W3303 AromaticContact CE1-CZ2 3.86Å; F3017-W3303 HydrophobicContact CE1-CZ2 3.86Å; F3017-W3303 AromaticContact CE1-CZ3 3.9Å; F3017-W3303 HydrophobicContact CE1-CZ3 3.9Å; F3017-W3303 HydrophobicContact CZ-CE3 4.37Å; F3017-W3303 AromaticContact CZ-CH2 3.72Å; F3017-W3303 HydrophobicContact CZ-CH2 3.87Å; F3017-W3303 HydrophobicContact CZ-CZ2 4.23Å; F3017-W3303 AromaticContact CZ-CZ3 3.85Å; F3017-W3303 HydrophobicContact CZ-CZ3 3.85Å; F3017-Y3306 HydrophobicContact CE1-CD2 4.37Å; F3017-Y3306 HydrophobicContact CE1-CG 4.48Å; F3017-Y3306 AromaticContact CE2-CD2 3.59Å; F3017-Y3306 HydrophobicContact CE2-CD2 3.59Å; F3017-Y3306 AromaticContact CE2-CE2 3.67Å; F3017-Y3306 HydrophobicContact CE2-CE2 3.67Å; F3017-Y3306 VanDerWaalsContact CE2-CE2 3.46Å; F3017-Y3306 HydrophobicContact CE2-CG 4.4Å; F3017-Y3306 HydrophobicContact CZ-CD1 4.41Å; F3017-Y3306 AromaticContact CZ-CD2 3.41Å; F3017-Y3306 HydrophobicContact CZ-CD2 3.41Å; F3017-Y3306 VanDerWaalsContact CZ-CD2 3.44Å; F3017-Y3306 AromaticContact CZ-CE2 3.77Å; F3017-Y3306 HydrophobicContact CZ-CE2 3.77Å; F3017-Y3306 AromaticContact CZ-CG 3.77Å; F3017-Y3306 HydrophobicContact CZ-CG 3.77Å |
| 3018 | H | 71.9 | Confident | 75.9 | Confident | 57.5 Ų | 57.5 | 30.2 Ų | 30.2 | 27% | 0.266 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -90.2 | -20.1 | -179.1 | -62.4 | -78.1 | 0 | 0 | 0 | 114 | W2404 R3013 F3014 P3020 A3218 S3220 | W2404-H3018 PolarHBondContact NE1-O 3Å; R3013-H3018 PolarHBondContact NE-NE2 3.35Å; R3013-H3018 PolarHBondContact O-N 2.86Å; R3013-H3018 VanDerWaalsContact O-N 3.08Å; F3014-H3018 HydrophobicContact CD2-CB 3.91Å; F3014-H3018 HydrophobicContact CE2-CB 4.18Å; F3014-H3018 HydrophobicContact CG-CB 4.41Å; F3014-H3018 CarbonylContact O-C 3.45Å; F3014-H3018 WeakPolarHBondContact O-CA 3.04Å; F3014-H3018 PolarHBondContact O-N 3.04Å; H3018-P3020 WeakPolarHBondContact O-CD 3.35Å; H3018-A3218 PolarHBondContact CE1-O 2.7Å; H3018-S3220 PolarHBondContact CE1-OG 3.25Å |
| 3019 | C | 76.2 | Confident | 76.6 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.034 | 15% | 0.145 | C | C | . | . | trans | -65.3 | 120.1 | 178 | -176 | 0 | 0 | 0 | 0 | 110.4 | W2404 F3014 L3015 Y3021 R3025 R3154 | W2404-C3019 HydrophobicContact CD2-CB 4.31Å; W2404-C3019 HydrophobicContact CH2-CB 4.08Å; W2404-C3019 WeakPolarHBondContact CH2-SG 3.36Å; W2404-C3019 VanDerWaalsContact CZ2-CA 3.47Å; W2404-C3019 HydrophobicContact CZ2-CB 3.52Å; W2404-C3019 VanDerWaalsContact CZ2-SG 3.52Å; F3014-C3019 WeakPolarHBondContact O-CB 3.45Å; F3014-C3019 PolarHBondContact O-N 3Å; F3014-C3019 VanDerWaalsContact O-N 3.07Å; L3015-C3019 WeakPolarHBondContact O-CB 3.35Å; C3019-Y3021 VanDerWaalsContact C-N 3.29Å; C3019-Y3021 PolarHBondContact O-N 2.81Å; C3019-Y3021 PolarHBondContact SG-N 2.81Å; C3019-Y3021 VanDerWaalsContact SG-N 3.4Å; C3019-Y3021 PolarHBondContact SG-O 3.12Å; C3019-Y3021 VanDerWaalsContact SG-O 3.36Å; C3019-R3025 HydrophobicContact CB-CG 4.03Å; C3019-R3025 WeakPolarHBondContact O-CD 3.3Å; C3019-R3025 PolarHBondContact O-NE 3.19Å; C3019-R3025 PolarHBondContact O-NH1 3.23Å; C3019-R3154 PolarHBondContact O-NH1 3.41Å | ||
| 3020 | P | 73.9 | Confident | 77.6 | Confident | 64.5 Ų | 64.5 | 26.3 Ų | 26.3 | 42% | 0.419 | 13% | 0.131 | S | C | . | . | trans | -75.3 | -21.7 | -179.4 | 30.3 | -34 | 0 | 0 | 0 | 112.2 | W2404 H3018 P3022 R3025 F3225 | W2404-P3020 HydrophobicContact CB-CG 4.02Å; W2404-P3020 HydrophobicContact CD2-CG 4.07Å; W2404-P3020 VanDerWaalsContact CG-CD 3.45Å; W2404-P3020 HydrophobicContact CG-CG 4.04Å; H3018-P3020 WeakPolarHBondContact O-CD 3.35Å; P3020-P3022 VanDerWaalsContact O-CD 3.23Å; P3020-P3022 WeakPolarHBondContact O-CD 3.38Å; P3020-R3025 VanDerWaalsContact C-NH1 3.32Å; P3020-R3025 PolarHBondContact O-NH1 3.06Å; P3020-F3225 HydrophobicContact CG-CE1 4.25Å; P3020-F3225 HydrophobicContact CG-CZ 3.97Å | ||
| 3021 | Y | 77.9 | Confident | 78.5 | Confident | 48 Ų | 48 | 22.4 Ų | 22.4 | 19% | 0.188 | 11% | 0.11 | C | C | . | . | trans | -85.7 | 112.1 | -173.9 | -55.1 | -69.7 | 0 | 0 | 0 | 112.1 | W2404 Y2972 H2973 I2976 C3019 E3023 M3024 R3025 I3358 Y3430 | W2404-Y3021 HydrophobicContact CB-CE2 4.19Å; W2404-Y3021 HydrophobicContact CD2-CD2 4.21Å; W2404-Y3021 HydrophobicContact CD2-CE2 4Å; W2404-Y3021 AromaticContact CE3-CD2 3.61Å; W2404-Y3021 HydrophobicContact CE3-CD2 3.61Å; W2404-Y3021 AromaticContact CE3-CE2 3.63Å; W2404-Y3021 HydrophobicContact CE3-CE2 3.63Å; W2404-Y3021 VanDerWaalsContact CE3-CE2 3.47Å; W2404-Y3021 HydrophobicContact CG-CE2 4.36Å; W2404-Y3021 AromaticContact CZ3-CD2 3.86Å; W2404-Y3021 HydrophobicContact CZ3-CD2 3.86Å; W2404-Y3021 HydrophobicContact CZ3-CE2 4.27Å; Y2972-Y3021 AromaticContact CD2-CD2 3.86Å; Y2972-Y3021 HydrophobicContact CD2-CD2 4.08Å; Y2972-Y3021 AromaticContact CD2-CE2 3.67Å; Y2972-Y3021 HydrophobicContact CD2-CE2 3.78Å; Y2972-Y3021 AromaticContact CE2-CD2 3.96Å; Y2972-Y3021 HydrophobicContact CE2-CD2 4.05Å; Y2972-Y3021 HydrophobicContact CE2-CE1 4.41Å; Y2972-Y3021 AromaticContact CE2-CE2 3.29Å; Y2972-Y3021 HydrophobicContact CE2-CE2 3.29Å; Y2972-Y3021 VanDerWaalsContact CE2-CE2 3.47Å; Y2972-Y3021 AromaticContact CE2-CZ 3.49Å; Y2972-Y3021 VanDerWaalsContact CE2-CZ 3.46Å; Y2972-Y3021 WeakPolarHBondContact CE2-OH 3.27Å; Y2972-Y3021 AromaticContact CZ-CE2 4Å; Y2972-Y3021 PolarHBondContact OH-OH 2.99Å; H2973-Y3021 AromaticContact CE1-CZ 3.92Å; H2973-Y3021 PolarHBondContact CE1-OH 3.21Å; I2976-Y3021 VanDerWaalsContact CD1-CB 3.46Å; I2976-Y3021 HydrophobicContact CD1-CD1 3.79Å; I2976-Y3021 HydrophobicContact CD1-CD2 3.86Å; I2976-Y3021 HydrophobicContact CD1-CE1 4.37Å; I2976-Y3021 HydrophobicContact CD1-CE2 4.32Å; I2976-Y3021 HydrophobicContact CD1-CG 3.44Å; I2976-Y3021 VanDerWaalsContact CD1-CG 3.48Å; I2976-Y3021 HydrophobicContact CG1-CG 4.45Å; C3019-Y3021 VanDerWaalsContact C-N 3.29Å; C3019-Y3021 PolarHBondContact O-N 2.81Å; C3019-Y3021 PolarHBondContact SG-N 2.81Å; C3019-Y3021 VanDerWaalsContact SG-N 3.4Å; C3019-Y3021 PolarHBondContact SG-O 3.12Å; C3019-Y3021 VanDerWaalsContact SG-O 3.36Å; Y3021-E3023 VanDerWaalsContact C-N 3.28Å; Y3021-E3023 PolarHBondContact O-N 3.22Å; Y3021-M3024 PolarHBondContact O-N 3.16Å; Y3021-M3024 VanDerWaalsContact O-N 3.09Å; Y3021-R3025 PolarHBondContact O-N 3.33Å; Y3021-R3025 VanDerWaalsContact O-N 3.16Å; Y3021-I3358 HydrophobicContact CE1-CG2 4.43Å; Y3021-Y3430 HydrophobicContact CE1-CE1 4.04Å; Y3021-Y3430 PolarHBondContact OH-OH 3.49Å | ||
| 3022 | P | 77.8 | Confident | 79 | Confident | 22 Ų | 22 | 21.4 Ų | 21.4 | 14% | 0.143 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -32.2 | -177.8 | 14 | -18.9 | 0 | 0 | 0 | 113.5 | P3020 M3024 R3025 F3026 I3302 Q3305 L3408 A3411 L3412 | P3020-P3022 VanDerWaalsContact O-CD 3.23Å; P3020-P3022 WeakPolarHBondContact O-CD 3.38Å; P3022-M3024 VanDerWaalsContact C-N 3.29Å; P3022-M3024 PolarHBondContact O-N 3.19Å; P3022-R3025 WeakPolarHBondContact O-CB 3.23Å; P3022-R3025 PolarHBondContact O-N 3.2Å; P3022-F3026 WeakPolarHBondContact O-CB 3.35Å; P3022-F3026 PolarHBondContact O-N 3.21Å; P3022-I3302 HydrophobicContact CB-CD1 4.25Å; P3022-I3302 HydrophobicContact CG-CD1 3.41Å; P3022-I3302 VanDerWaalsContact CG-CD1 3.41Å; P3022-Q3305 PolarHBondContact O-NE2 3.27Å; P3022-L3408 HydrophobicContact CB-CD1 3.95Å; P3022-L3408 HydrophobicContact CG-CD1 4.42Å; P3022-A3411 HydrophobicContact CB-CB 3.42Å; P3022-A3411 VanDerWaalsContact CB-CB 3.44Å; P3022-A3411 HydrophobicContact CG-CB 4.16Å; P3022-L3412 HydrophobicContact CG-CD2 4.03Å |
| 3023 | E | 79.9 | Confident | 79.4 | Confident | 29.25 Ų | 29.25 | 22.2 Ų | 22.2 | 14% | 0.137 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.4 | -34.8 | 178 | -57.1 | 88.5 | 156.1 | 0 | 0 | 112 | I2976 W2979 Y3021 F3026 L3027 I3302 S3362 L3408 K3434 | I2976-E3023 HydrophobicContact CB-CB 4.41Å; I2976-E3023 HydrophobicContact CG1-CB 4.39Å; I2976-E3023 HydrophobicContact CG2-CB 4.13Å; I2976-E3023 VanDerWaalsContact CG2-CD 3.48Å; I2976-E3023 HydrophobicContact CG2-CG 4.14Å; W2979-E3023 HydrophobicContact CG-CB 4.33Å; Y3021-E3023 VanDerWaalsContact C-N 3.28Å; Y3021-E3023 PolarHBondContact O-N 3.22Å; E3023-F3026 PolarHBondContact O-N 3.03Å; E3023-L3027 VanDerWaalsContact O-CB 3.28Å; E3023-L3027 WeakPolarHBondContact O-CB 3.32Å; E3023-L3027 PolarHBondContact O-N 3.25Å; E3023-I3302 HydrophobicContact CG-CD1 4.22Å; E3023-I3302 WeakPolarHBondContact OE1-CD1 3.34Å; E3023-S3362 WeakPolarHBondContact OE1-CB 3.13Å; E3023-S3362 PolarHBondContact OE1-OG 3.41Å; E3023-L3408 HydrophobicContact CG-CD1 4.26Å; E3023-K3434 IonicContact OE1-NZ 2.93Å; E3023-K3434 PolarHBondContact OE1-NZ 3.46Å |
| 3024 | M | 82.8 | Confident | 79.9 | Confident | 7 Ų | 7 | 21.5 Ų | 21.5 | 3% | 0.034 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -73.5 | -36.2 | 174.9 | -92.8 | -40.4 | -83.7 | 0 | 0 | 111.8 | W2404 I2968 V2975 I2976 M3004 L3015 Y3021 P3022 F3026 L3027 S3028 | W2404-M3024 HydrophobicContact CH2-CB 4.13Å; W2404-M3024 HydrophobicContact CH2-CE 4.21Å; W2404-M3024 HydrophobicContact CH2-CG 4.37Å; W2404-M3024 HydrophobicContact CZ3-CB 4.35Å; W2404-M3024 HydrophobicContact CZ3-CG 4.22Å; I2968-M3024 HydrophobicContact CG2-CE 3.82Å; I2968-M3024 HydrophobicContact CG2-SD 4.36Å; V2975-M3024 HydrophobicContact CB-SD 4.44Å; V2975-M3024 HydrophobicContact CG1-SD 4.11Å; I2976-M3024 HydrophobicContact CD1-CB 4.17Å; I2976-M3024 HydrophobicContact CD1-CG 3.9Å; I2976-M3024 HydrophobicContact CG1-CB 4.13Å; I2976-M3024 HydrophobicContact CG1-CG 3.62Å; I2976-M3024 HydrophobicContact CG1-SD 4.15Å; M3004-M3024 HydrophobicContact CE-CE 4.4Å; L3015-M3024 HydrophobicContact CD2-CE 3.99Å; Y3021-M3024 PolarHBondContact O-N 3.16Å; Y3021-M3024 VanDerWaalsContact O-N 3.09Å; P3022-M3024 VanDerWaalsContact C-N 3.29Å; P3022-M3024 PolarHBondContact O-N 3.19Å; M3024-F3026 VanDerWaalsContact C-N 3.34Å; M3024-L3027 HydrophobicContact CE-CD2 4.2Å; M3024-L3027 PolarHBondContact O-N 2.91Å; M3024-L3027 HydrophobicContact SD-CB 4.48Å; M3024-L3027 HydrophobicContact SD-CD2 3.88Å; M3024-S3028 WeakPolarHBondContact O-CB 3.41Å; M3024-S3028 PolarHBondContact O-N 2.96Å; M3024-S3028 PolarHBondContact O-OG 3.29Å |
| 3025 | R | 82.3 | Confident | 80.3 | Confident | 15.75 Ų | 15.75 | 18.2 Ų | 18.2 | 6% | 0.059 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 170.3 | -64.4 | -166.6 | -67.8 | -127 | 3.4 | 110.6 | L3015 Q3016 C3019 P3020 Y3021 P3022 L3027 S3028 A3029 Q3209 Q3305 | L3015-R3025 WeakPolarHBondContact O-CG 3.4Å; Q3016-R3025 PolarHBondContact NE2-O 3.1Å; Q3016-R3025 VanDerWaalsContact O-CD 3.23Å; Q3016-R3025 WeakPolarHBondContact O-CD 3.34Å; C3019-R3025 HydrophobicContact CB-CG 4.03Å; C3019-R3025 WeakPolarHBondContact O-CD 3.3Å; C3019-R3025 PolarHBondContact O-NE 3.19Å; C3019-R3025 PolarHBondContact O-NH1 3.23Å; P3020-R3025 VanDerWaalsContact C-NH1 3.32Å; P3020-R3025 PolarHBondContact O-NH1 3.06Å; Y3021-R3025 PolarHBondContact O-N 3.33Å; Y3021-R3025 VanDerWaalsContact O-N 3.16Å; P3022-R3025 WeakPolarHBondContact O-CB 3.23Å; P3022-R3025 PolarHBondContact O-N 3.2Å; R3025-L3027 PolarHBondContact O-N 3.44Å; R3025-S3028 PolarHBondContact O-N 3.39Å; R3025-S3028 PolarHBondContact O-OG 3.15Å; R3025-A3029 VanDerWaalsContact O-CB 3.27Å; R3025-A3029 WeakPolarHBondContact O-CB 3.32Å; R3025-A3029 PolarHBondContact O-N 3.16Å; R3025-Q3209 VanDerWaalsContact NH2-OE1 3.08Å; R3025-Q3305 VanDerWaalsContact CZ-OE1 3.23Å |
| 3026 | F | 82.8 | Confident | 80.5 | Confident | 22.5 Ų | 22.5 | 18.6 Ų | 18.6 | 10% | 0.099 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 174.5 | -178.9 | -90.5 | 0 | 0 | 0 | 112.6 | W2979 L2983 P3022 E3023 M3024 S3028 A3029 A3030 L3202 Y3306 Y3384 L3401 C3404 L3405 L3408 | W2979-F3026 HydrophobicContact CD2-CD1 4.47Å; W2979-F3026 HydrophobicContact CD2-CE1 4.34Å; W2979-F3026 HydrophobicContact CE3-CD1 4.26Å; W2979-F3026 AromaticContact CE3-CE1 3.75Å; W2979-F3026 HydrophobicContact CE3-CE1 4.06Å; W2979-F3026 AromaticContact CH2-CD1 3.86Å; W2979-F3026 HydrophobicContact CH2-CD1 3.97Å; W2979-F3026 AromaticContact CH2-CE1 3.68Å; W2979-F3026 HydrophobicContact CH2-CE1 3.68Å; W2979-F3026 HydrophobicContact CH2-CZ 4.37Å; W2979-F3026 HydrophobicContact CZ2-CD1 4.44Å; W2979-F3026 HydrophobicContact CZ2-CE1 4.47Å; W2979-F3026 AromaticContact CZ3-CD1 3.82Å; W2979-F3026 HydrophobicContact CZ3-CD1 3.97Å; W2979-F3026 AromaticContact CZ3-CE1 3.53Å; W2979-F3026 HydrophobicContact CZ3-CE1 3.53Å; W2979-F3026 HydrophobicContact CZ3-CZ 4.29Å; L2983-F3026 HydrophobicContact CD2-CE1 4.36Å; P3022-F3026 WeakPolarHBondContact O-CB 3.35Å; P3022-F3026 PolarHBondContact O-N 3.21Å; E3023-F3026 PolarHBondContact O-N 3.03Å; M3024-F3026 VanDerWaalsContact C-N 3.34Å; F3026-S3028 VanDerWaalsContact C-N 3.34Å; F3026-S3028 PolarHBondContact O-N 2.97Å; F3026-A3029 PolarHBondContact O-N 3.28Å; F3026-A3030 HydrophobicContact CE1-CB 4.38Å; F3026-A3030 VanDerWaalsContact O-CB 3.28Å; F3026-A3030 WeakPolarHBondContact O-CB 3.29Å; F3026-A3030 PolarHBondContact O-N 3.22Å; F3026-L3202 HydrophobicContact CE2-CD1 4.07Å; F3026-Y3306 HydrophobicContact CD2-CE1 4.29Å; F3026-Y3384 HydrophobicContact CZ-CD2 4.25Å; F3026-Y3384 HydrophobicContact CZ-CE2 4.32Å; F3026-L3401 HydrophobicContact CE2-CB 4.48Å; F3026-L3401 HydrophobicContact CE2-CD1 4.11Å; F3026-L3401 HydrophobicContact CZ-CB 4.39Å; F3026-L3401 HydrophobicContact CZ-CD1 3.91Å; F3026-C3404 HydrophobicContact CD2-CB 3.87Å; F3026-C3404 WeakPolarHBondContact CD2-O 3.37Å; F3026-C3404 HydrophobicContact CE2-CB 3.74Å; F3026-L3405 HydrophobicContact CE2-CB 4.49Å; F3026-L3405 HydrophobicContact CE2-CD2 3.58Å; F3026-L3405 HydrophobicContact CE2-CG 4.13Å; F3026-L3405 HydrophobicContact CZ-CD2 3.56Å; F3026-L3405 HydrophobicContact CZ-CG 4.43Å; F3026-L3408 HydrophobicContact CB-CB 4.45Å; F3026-L3408 HydrophobicContact CB-CD1 4.29Å; F3026-L3408 HydrophobicContact CB-CD2 4.16Å; F3026-L3408 HydrophobicContact CD1-CD2 4.24Å; F3026-L3408 HydrophobicContact CD2-CB 4.07Å; F3026-L3408 HydrophobicContact CD2-CD2 3.99Å; F3026-L3408 HydrophobicContact CE2-CD2 4.5Å; F3026-L3408 HydrophobicContact CG-CB 4.45Å; F3026-L3408 HydrophobicContact CG-CD2 3.85Å |
| 3027 | L | 84.1 | Confident | 80.7 | Confident | 2.75 Ų | 2.75 | 20.6 Ų | 20.6 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.8 | -48.6 | 177.7 | -178 | 90.9 | 0 | 0 | 0 | 111.2 | V2975 W2979 L2983 F2986 E3023 M3024 R3025 A3030 L3031 | V2975-L3027 HydrophobicContact CG1-CD1 4.04Å; V2975-L3027 HydrophobicContact CG1-CD2 3.9Å; W2979-L3027 HydrophobicContact CB-CD1 4.37Å; L2983-L3027 HydrophobicContact CB-CD1 3.77Å; L2983-L3027 HydrophobicContact CD1-CD1 3.9Å; L2983-L3027 HydrophobicContact CD1-CG 4.4Å; L2983-L3027 HydrophobicContact CD2-CD1 4.4Å; L2983-L3027 HydrophobicContact CG-CD1 4.14Å; F2986-L3027 HydrophobicContact CE2-CD2 4.31Å; E3023-L3027 VanDerWaalsContact O-CB 3.28Å; E3023-L3027 WeakPolarHBondContact O-CB 3.32Å; E3023-L3027 PolarHBondContact O-N 3.25Å; M3024-L3027 HydrophobicContact CE-CD2 4.2Å; M3024-L3027 PolarHBondContact O-N 2.91Å; M3024-L3027 HydrophobicContact SD-CB 4.48Å; M3024-L3027 HydrophobicContact SD-CD2 3.88Å; R3025-L3027 PolarHBondContact O-N 3.44Å; L3027-A3030 PolarHBondContact O-N 3.07Å; L3027-L3031 HydrophobicContact CD2-CD1 3.72Å; L3027-L3031 HydrophobicContact CG-CD1 4.36Å; L3027-L3031 WeakPolarHBondContact O-CB 3.35Å; L3027-L3031 VanDerWaalsContact O-CG 3.25Å; L3027-L3031 WeakPolarHBondContact O-CG 3.37Å; L3027-L3031 PolarHBondContact O-N 3.14Å; L3027-L3031 VanDerWaalsContact O-N 3.15Å |
| 3028 | S | 84.4 | Confident | 81.1 | Confident | 1.75 Ų | 1.75 | 21.3 Ų | 21.3 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 178.8 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | Q3016 M3024 R3025 F3026 L3031 I3032 | Q3016-S3028 PolarHBondContact NE2-OG 3.1Å; M3024-S3028 WeakPolarHBondContact O-CB 3.41Å; M3024-S3028 PolarHBondContact O-N 2.96Å; M3024-S3028 PolarHBondContact O-OG 3.29Å; R3025-S3028 PolarHBondContact O-N 3.39Å; R3025-S3028 PolarHBondContact O-OG 3.15Å; F3026-S3028 VanDerWaalsContact C-N 3.34Å; F3026-S3028 PolarHBondContact O-N 2.97Å; S3028-L3031 PolarHBondContact O-N 3.1Å; S3028-I3032 WeakPolarHBondContact O-CB 3.47Å; S3028-I3032 WeakPolarHBondContact O-CD1 3.41Å; S3028-I3032 VanDerWaalsContact O-CG1 3.25Å; S3028-I3032 WeakPolarHBondContact O-CG1 3.33Å; S3028-I3032 PolarHBondContact O-N 3.23Å |
| 3029 | A | 82.4 | Confident | 81.5 | Confident | 2.5 Ų | 2.5 | 18.6 Ų | 18.6 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R3025 F3026 L3031 I3032 I3033 L3205 I3309 | R3025-A3029 VanDerWaalsContact O-CB 3.27Å; R3025-A3029 WeakPolarHBondContact O-CB 3.32Å; R3025-A3029 PolarHBondContact O-N 3.16Å; F3026-A3029 PolarHBondContact O-N 3.28Å; A3029-L3031 VanDerWaalsContact C-N 3.32Å; A3029-L3031 PolarHBondContact O-N 3.39Å; A3029-I3032 PolarHBondContact O-N 3.08Å; A3029-I3033 WeakPolarHBondContact O-CD1 3.35Å; A3029-I3033 VanDerWaalsContact O-CG1 3.3Å; A3029-I3033 WeakPolarHBondContact O-CG1 3.31Å; A3029-I3033 PolarHBondContact O-N 3.26Å; A3029-L3205 HydrophobicContact CB-CD2 3.38Å; A3029-I3309 HydrophobicContact CB-CD1 3.97Å; A3029-I3309 HydrophobicContact CB-CG1 3.56Å |
| 3030 | A | 83 | Confident | 81.5 | Confident | 11.5 Ų | 11.5 | 21.7 Ų | 21.7 | 10% | 0.095 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L2983 F3026 L3027 Y3034 L3401 | L2983-A3030 HydrophobicContact CD1-CB 4.22Å; L2983-A3030 HydrophobicContact CD2-CB 4.08Å; F3026-A3030 HydrophobicContact CE1-CB 4.38Å; F3026-A3030 VanDerWaalsContact O-CB 3.28Å; F3026-A3030 WeakPolarHBondContact O-CB 3.29Å; F3026-A3030 PolarHBondContact O-N 3.22Å; L3027-A3030 PolarHBondContact O-N 3.07Å; A3030-Y3034 VanDerWaalsContact O-CB 3.28Å; A3030-Y3034 WeakPolarHBondContact O-CB 3.32Å; A3030-Y3034 PolarHBondContact O-N 3.02Å; A3030-Y3034 VanDerWaalsContact O-N 3.12Å; A3030-L3401 HydrophobicContact CB-CD1 3.59Å; A3030-L3401 HydrophobicContact CB-CD2 4.34Å |
| 3031 | L | 85.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 175.7 | -88.5 | 153.4 | 0 | 0 | 0 | 112.2 | L2983 F2986 I2990 L3000 M3004 F3005 L3027 S3028 A3029 Y3034 V3035 | L2983-L3031 HydrophobicContact CD1-CD2 3.75Å; L2983-L3031 HydrophobicContact CD1-CG 3.98Å; F2986-L3031 HydrophobicContact CB-CD1 4.24Å; F2986-L3031 HydrophobicContact CB-CD2 3.41Å; F2986-L3031 VanDerWaalsContact CB-CD2 3.45Å; F2986-L3031 HydrophobicContact CD1-CD1 4.24Å; F2986-L3031 HydrophobicContact CD1-CD2 4.31Å; F2986-L3031 HydrophobicContact CD2-CD1 3.84Å; F2986-L3031 HydrophobicContact CD2-CD2 4.12Å; F2986-L3031 HydrophobicContact CD2-CG 4.46Å; F2986-L3031 HydrophobicContact CE1-CD1 4.36Å; F2986-L3031 HydrophobicContact CE2-CD1 3.75Å; F2986-L3031 HydrophobicContact CG-CD1 3.93Å; F2986-L3031 HydrophobicContact CG-CD2 3.79Å; F2986-L3031 HydrophobicContact CZ-CD1 4.12Å; F2986-L3031 HydrophobicContact CZ-CD2 4.49Å; I2990-L3031 HydrophobicContact CD1-CD1 3.98Å; I2990-L3031 HydrophobicContact CD1-CD2 4.1Å; L3000-L3031 HydrophobicContact CD2-CD2 4.4Å; M3004-L3031 HydrophobicContact CE-CD1 4Å; M3004-L3031 HydrophobicContact CE-CD2 4.18Å; M3004-L3031 HydrophobicContact SD-CD1 4.02Å; M3004-L3031 HydrophobicContact SD-CD2 3.82Å; F3005-L3031 HydrophobicContact CZ-CB 4.17Å; L3027-L3031 HydrophobicContact CD2-CD1 3.72Å; L3027-L3031 HydrophobicContact CG-CD1 4.36Å; L3027-L3031 WeakPolarHBondContact O-CB 3.35Å; L3027-L3031 VanDerWaalsContact O-CG 3.25Å; L3027-L3031 WeakPolarHBondContact O-CG 3.37Å; L3027-L3031 PolarHBondContact O-N 3.14Å; L3027-L3031 VanDerWaalsContact O-N 3.15Å; S3028-L3031 PolarHBondContact O-N 3.1Å; A3029-L3031 VanDerWaalsContact C-N 3.32Å; A3029-L3031 PolarHBondContact O-N 3.39Å; L3031-Y3034 PolarHBondContact O-N 2.98Å; L3031-V3035 HydrophobicContact CG-CG2 4.5Å; L3031-V3035 VanDerWaalsContact O-CB 3.29Å; L3031-V3035 WeakPolarHBondContact O-CB 3.35Å; L3031-V3035 VanDerWaalsContact O-CG1 3.24Å; L3031-V3035 WeakPolarHBondContact O-CG1 3.04Å; L3031-V3035 VanDerWaalsContact O-CG2 3.25Å; L3031-V3035 WeakPolarHBondContact O-CG2 3.36Å; L3031-V3035 PolarHBondContact O-N 3.29Å |
| 3032 | I | 83.9 | Confident | 81.4 | Confident | 3.25 Ų | 3.25 | 23.4 Ų | 23.4 | 2% | 0.017 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.9 | -52 | 176.5 | -70.1 | 161.7 | 0 | 0 | 0 | 110.4 | F3005 I3012 Q3016 S3028 A3029 Y3034 V3035 C3036 I3050 F3054 L3202 I3203 I3206 I3309 | F3005-I3032 HydrophobicContact CD1-CD1 4.33Å; F3005-I3032 HydrophobicContact CD1-CG1 4.16Å; F3005-I3032 HydrophobicContact CD2-CG1 4.37Å; F3005-I3032 HydrophobicContact CE1-CD1 3.92Å; F3005-I3032 HydrophobicContact CE1-CG1 3.56Å; F3005-I3032 HydrophobicContact CE2-CG1 4.03Å; F3005-I3032 HydrophobicContact CG-CG1 4.38Å; F3005-I3032 HydrophobicContact CZ-CD1 4.3Å; F3005-I3032 HydrophobicContact CZ-CG1 3.52Å; F3005-I3032 VanDerWaalsContact CZ-CG1 3.42Å; I3012-I3032 HydrophobicContact CG2-CD1 3.95Å; Q3016-I3032 HydrophobicContact CG-CD1 4.36Å; Q3016-I3032 VanDerWaalsContact NE2-CD1 3.33Å; S3028-I3032 WeakPolarHBondContact O-CB 3.47Å; S3028-I3032 WeakPolarHBondContact O-CD1 3.41Å; S3028-I3032 VanDerWaalsContact O-CG1 3.25Å; S3028-I3032 WeakPolarHBondContact O-CG1 3.33Å; S3028-I3032 PolarHBondContact O-N 3.23Å; A3029-I3032 PolarHBondContact O-N 3.08Å; I3032-Y3034 VanDerWaalsContact C-N 3.32Å; I3032-Y3034 PolarHBondContact O-N 3.21Å; I3032-V3035 PolarHBondContact O-N 2.87Å; I3032-C3036 VanDerWaalsContact O-CB 3.25Å; I3032-C3036 WeakPolarHBondContact O-CB 3.32Å; I3032-C3036 PolarHBondContact O-N 3.12Å; I3032-C3036 PolarHBondContact O-SG 3.24Å; I3032-C3036 VanDerWaalsContact O-SG 3.33Å; I3032-I3050 HydrophobicContact CG2-CG2 4.36Å; I3032-F3054 HydrophobicContact CD1-CE1 4.23Å; I3032-F3054 HydrophobicContact CD1-CE2 4.09Å; I3032-F3054 HydrophobicContact CD1-CZ 3.87Å; I3032-F3054 HydrophobicContact CG1-CZ 3.94Å; I3032-F3054 HydrophobicContact CG2-CE1 4.4Å; I3032-F3054 HydrophobicContact CG2-CE2 4.12Å; I3032-F3054 HydrophobicContact CG2-CZ 4.09Å; I3032-L3202 HydrophobicContact CG1-CD2 4.39Å; I3032-I3203 HydrophobicContact CG2-CD1 4.45Å; I3032-I3206 HydrophobicContact CB-CD1 4.38Å; I3032-I3206 HydrophobicContact CD1-CD1 4.01Å; I3032-I3206 HydrophobicContact CG1-CD1 4.36Å; I3032-I3206 HydrophobicContact CG2-CD1 3.33Å; I3032-I3206 VanDerWaalsContact CG2-CD1 3.43Å; I3032-I3309 HydrophobicContact CB-CG2 4.48Å; I3032-I3309 HydrophobicContact CD1-CD1 4.43Å; I3032-I3309 HydrophobicContact CG2-CG2 3.78Å |
| 3033 | I | 81.9 | Confident | 81 | Confident | 19.25 Ų | 19.25 | 27.9 Ų | 27.9 | 10% | 0.099 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | -179.5 | -66.9 | 161.8 | 0 | 0 | 0 | 110.5 | A3029 C3036 H3037 P3198 L3202 I3309 D3312 Y3313 Y3316 L3399 L3401 | A3029-I3033 WeakPolarHBondContact O-CD1 3.35Å; A3029-I3033 VanDerWaalsContact O-CG1 3.3Å; A3029-I3033 WeakPolarHBondContact O-CG1 3.31Å; A3029-I3033 PolarHBondContact O-N 3.26Å; I3033-C3036 PolarHBondContact O-N 2.88Å; I3033-H3037 WeakPolarHBondContact O-CB 3.21Å; I3033-H3037 PolarHBondContact O-N 3.17Å; I3033-P3198 HydrophobicContact CG2-CB 3.77Å; I3033-L3202 HydrophobicContact CD1-CB 4.18Å; I3033-L3202 HydrophobicContact CD1-CD1 4.12Å; I3033-I3309 HydrophobicContact CG1-CG2 4.17Å; I3033-D3312 HydrophobicContact CD1-CB 3.73Å; I3033-Y3313 HydrophobicContact CG2-CD2 4.4Å; I3033-Y3316 HydrophobicContact CG2-CD2 3.91Å; I3033-Y3316 HydrophobicContact CG2-CE2 4.47Å; I3033-L3399 HydrophobicContact CG2-CD1 3.94Å; I3033-L3401 HydrophobicContact CD1-CD2 3.38Å; I3033-L3401 VanDerWaalsContact CD1-CD2 3.41Å |
| 3034 | Y | 83 | Confident | 80.3 | Confident | 32.5 Ų | 32.5 | 29.8 Ų | 29.8 | 13% | 0.127 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.2 | -40 | -176 | -169.2 | -105.8 | 0 | 0 | 0 | 112.8 | I2987 I2990 S2991 A3030 L3031 I3032 H3037 L3038 C3396 T3397 L3399 | I2987-Y3034 HydrophobicContact CB-CD1 4.39Å; I2987-Y3034 HydrophobicContact CB-CE1 4.28Å; I2987-Y3034 HydrophobicContact CG1-CD1 4.1Å; I2987-Y3034 HydrophobicContact CG1-CE1 4.21Å; I2987-Y3034 HydrophobicContact CG1-CG 4.35Å; I2987-Y3034 HydrophobicContact CG2-CD1 4.29Å; I2987-Y3034 HydrophobicContact CG2-CE1 3.78Å; I2987-Y3034 HydrophobicContact CG2-CE2 4.34Å; I2990-Y3034 HydrophobicContact CD1-CD1 3.6Å; I2990-Y3034 HydrophobicContact CD1-CE1 4.04Å; I2990-Y3034 HydrophobicContact CD1-CG 4.25Å; I2990-Y3034 HydrophobicContact CG1-CD1 4.06Å; I2990-Y3034 HydrophobicContact CG1-CE1 3.99Å; S2991-Y3034 PolarHBondContact OG-OH 3.43Å; S2991-Y3034 VanDerWaalsContact OG-OH 3.09Å; A3030-Y3034 VanDerWaalsContact O-CB 3.28Å; A3030-Y3034 WeakPolarHBondContact O-CB 3.32Å; A3030-Y3034 PolarHBondContact O-N 3.02Å; A3030-Y3034 VanDerWaalsContact O-N 3.12Å; L3031-Y3034 PolarHBondContact O-N 2.98Å; I3032-Y3034 VanDerWaalsContact C-N 3.32Å; I3032-Y3034 PolarHBondContact O-N 3.21Å; Y3034-H3037 PolarHBondContact O-N 3.38Å; Y3034-L3038 HydrophobicContact CD1-CD1 4.05Å; Y3034-L3038 HydrophobicContact CD1-CG 4.3Å; Y3034-L3038 HydrophobicContact CD2-CG 4.38Å; Y3034-L3038 HydrophobicContact CE1-CD1 3.53Å; Y3034-L3038 VanDerWaalsContact CE1-CD1 3.41Å; Y3034-L3038 HydrophobicContact CE1-CD2 4.41Å; Y3034-L3038 HydrophobicContact CE1-CG 4Å; Y3034-L3038 HydrophobicContact CE2-CD1 4.05Å; Y3034-L3038 HydrophobicContact CE2-CD2 4.15Å; Y3034-L3038 HydrophobicContact CE2-CG 3.98Å; Y3034-L3038 WeakPolarHBondContact O-CG 3.39Å; Y3034-L3038 PolarHBondContact O-N 3.22Å; Y3034-C3396 HydrophobicContact CE2-CB 4.33Å; Y3034-C3396 VanDerWaalsContact CZ-SG 3.56Å; Y3034-C3396 WeakPolarHBondContact OH-CB 3.35Å; Y3034-C3396 PolarHBondContact OH-SG 3.28Å; Y3034-T3397 WeakPolarHBondContact CE2-O 3.41Å; Y3034-L3399 HydrophobicContact CD2-CD1 4Å; Y3034-L3399 HydrophobicContact CD2-CD2 4.36Å; Y3034-L3399 HydrophobicContact CG-CD1 4.15Å; Y3034-L3399 HydrophobicContact CG-CD2 4.33Å |
| 3035 | V | 84.2 | Confident | 79.4 | Confident | 0.5 Ų | 0.5 | 31.3 Ų | 31.3 | 0% | 0.003 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 174.8 | 151.9 | 0 | 0 | 0 | 0 | 110.8 | I2990 R2997 L3000 I3001 F3005 L3031 I3032 H3037 L3038 C3039 I3050 L3202 | I2990-V3035 HydrophobicContact CD1-CG2 3.84Å; R2997-V3035 HydrophobicContact CB-CG2 3.84Å; R2997-V3035 HydrophobicContact CG-CG2 3.9Å; L3000-V3035 HydrophobicContact CD2-CG2 3.84Å; I3001-V3035 HydrophobicContact CD1-CG1 3.85Å; I3001-V3035 HydrophobicContact CD1-CG2 4.06Å; I3001-V3035 HydrophobicContact CG1-CG1 3.8Å; I3001-V3035 HydrophobicContact CG1-CG2 4.17Å; F3005-V3035 HydrophobicContact CE2-CG1 4.27Å; L3031-V3035 HydrophobicContact CG-CG2 4.5Å; L3031-V3035 VanDerWaalsContact O-CB 3.29Å; L3031-V3035 WeakPolarHBondContact O-CB 3.35Å; L3031-V3035 VanDerWaalsContact O-CG1 3.24Å; L3031-V3035 WeakPolarHBondContact O-CG1 3.04Å; L3031-V3035 VanDerWaalsContact O-CG2 3.25Å; L3031-V3035 WeakPolarHBondContact O-CG2 3.36Å; L3031-V3035 PolarHBondContact O-N 3.29Å; I3032-V3035 PolarHBondContact O-N 2.87Å; V3035-H3037 VanDerWaalsContact C-N 3.3Å; V3035-H3037 PolarHBondContact O-N 3.15Å; V3035-L3038 PolarHBondContact O-N 3.26Å; V3035-C3039 VanDerWaalsContact O-CB 3.32Å; V3035-C3039 WeakPolarHBondContact O-CB 3.36Å; V3035-C3039 PolarHBondContact O-N 3.19Å; V3035-C3039 PolarHBondContact O-SG 2.99Å; V3035-C3039 VanDerWaalsContact O-SG 3.37Å; V3035-I3050 HydrophobicContact CG1-CD1 4.34Å; V3035-L3202 HydrophobicContact CG1-CD2 3.85Å |
| 3036 | C | 81.2 | Confident | 78.2 | Confident | 13.5 Ų | 13.5 | 36.2 Ų | 36.2 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 177.2 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | I3032 I3033 C3039 M3040 I3203 Y3313 | I3032-C3036 VanDerWaalsContact O-CB 3.25Å; I3032-C3036 WeakPolarHBondContact O-CB 3.32Å; I3032-C3036 PolarHBondContact O-N 3.12Å; I3032-C3036 PolarHBondContact O-SG 3.24Å; I3032-C3036 VanDerWaalsContact O-SG 3.33Å; I3033-C3036 PolarHBondContact O-N 2.88Å; C3036-C3039 PolarHBondContact O-N 3.01Å; C3036-M3040 WeakPolarHBondContact O-CG 3.43Å; C3036-M3040 PolarHBondContact O-N 3.09Å; C3036-I3203 HydrophobicContact CB-CD1 3.8Å; C3036-I3203 HydrophobicContact CB-CG1 3.73Å; C3036-Y3313 HydrophobicContact CB-CD2 4.25Å; C3036-Y3313 HydrophobicContact CB-CE2 3.58Å |
| 3037 | H | 81.7 | Confident | 76.9 | Confident | 54 Ų | 54 | 36.3 Ų | 36.3 | 25% | 0.25 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 175 | 171.9 | 67.3 | 0 | 0 | 0 | 112.3 | I3033 Y3034 V3035 C3039 M3040 Y3316 E3320 T3397 | I3033-H3037 WeakPolarHBondContact O-CB 3.21Å; I3033-H3037 PolarHBondContact O-N 3.17Å; Y3034-H3037 PolarHBondContact O-N 3.38Å; V3035-H3037 VanDerWaalsContact C-N 3.3Å; V3035-H3037 PolarHBondContact O-N 3.15Å; H3037-C3039 VanDerWaalsContact C-N 3.27Å; H3037-C3039 PolarHBondContact O-N 3.08Å; H3037-M3040 WeakPolarHBondContact O-CB 3.35Å; H3037-M3040 WeakPolarHBondContact O-CG 3.4Å; H3037-M3040 PolarHBondContact O-N 3.23Å; H3037-M3040 VanDerWaalsContact O-N 3.1Å; H3037-Y3316 HydrophobicContact CB-CD1 4.19Å; H3037-Y3316 HydrophobicContact CB-CD2 4.34Å; H3037-Y3316 HydrophobicContact CB-CE1 4.16Å; H3037-Y3316 HydrophobicContact CB-CE2 4.25Å; H3037-Y3316 HydrophobicContact CB-CG 4.3Å; H3037-Y3316 AromaticContact CD2-CD1 3.95Å; H3037-Y3316 AromaticContact CD2-CE1 3.24Å; H3037-Y3316 WeakPolarHBondContact CD2-CE1 3.33Å; H3037-Y3316 AromaticContact CD2-CZ 3.37Å; H3037-Y3316 VanDerWaalsContact CD2-CZ 3.45Å; H3037-Y3316 PolarHBondContact CD2-OH 3.34Å; H3037-Y3316 AromaticContact CE1-CD1 3.62Å; H3037-Y3316 AromaticContact CE1-CE1 3.29Å; H3037-Y3316 WeakPolarHBondContact CE1-CE1 3.37Å; H3037-Y3316 AromaticContact CG-CD1 3.53Å; H3037-Y3316 VanDerWaalsContact CG-CD1 3.5Å; H3037-Y3316 AromaticContact CG-CE1 3.26Å; H3037-Y3316 AromaticContact CG-CZ 3.58Å; H3037-Y3316 VanDerWaalsContact CG-CZ 3.48Å; H3037-Y3316 AromaticContact ND1-CD1 3.28Å; H3037-Y3316 VanDerWaalsContact ND1-CD1 3.28Å; H3037-Y3316 WeakPolarHBondContact ND1-CD1 3.46Å; H3037-Y3316 AromaticContact ND1-CE1 3.3Å; H3037-Y3316 WeakPolarHBondContact ND1-CE1 3.39Å; H3037-Y3316 AromaticContact ND1-CZ 4Å; H3037-Y3316 AromaticContact NE2-CE1 3.25Å; H3037-Y3316 VanDerWaalsContact NE2-CE1 3.3Å; H3037-Y3316 WeakPolarHBondContact NE2-CE1 3.21Å; H3037-Y3316 AromaticContact NE2-CZ 3.81Å; H3037-E3320 IonicContact CE1-OE1 3.36Å; H3037-E3320 PolarHBondContact CE1-OE1 3.46Å; H3037-E3320 IonicContact CG-OE1 2.96Å; H3037-E3320 IonicContact ND1-OE1 3.47Å; H3037-E3320 PolarHBondContact ND1-OE1 3.08Å; H3037-T3397 PolarHBondContact NE2-OG1 2.89Å |
| 3038 | L | 81.8 | Confident | 75.7 | Confident | 31.25 Ų | 31.25 | 41.2 Ų | 41.2 | 16% | 0.164 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -39 | 179 | -71.1 | -176.3 | 0 | 0 | 0 | 112 | I2990 Y3034 V3035 M3040 N3041 | I2990-L3038 HydrophobicContact CG1-CD1 4.24Å; Y3034-L3038 HydrophobicContact CD1-CD1 4.05Å; Y3034-L3038 HydrophobicContact CD1-CG 4.3Å; Y3034-L3038 HydrophobicContact CD2-CG 4.38Å; Y3034-L3038 HydrophobicContact CE1-CD1 3.53Å; Y3034-L3038 VanDerWaalsContact CE1-CD1 3.41Å; Y3034-L3038 HydrophobicContact CE1-CD2 4.41Å; Y3034-L3038 HydrophobicContact CE1-CG 4Å; Y3034-L3038 HydrophobicContact CE2-CD1 4.05Å; Y3034-L3038 HydrophobicContact CE2-CD2 4.15Å; Y3034-L3038 HydrophobicContact CE2-CG 3.98Å; Y3034-L3038 WeakPolarHBondContact O-CG 3.39Å; Y3034-L3038 PolarHBondContact O-N 3.22Å; V3035-L3038 PolarHBondContact O-N 3.26Å; L3038-M3040 VanDerWaalsContact C-N 3.27Å; L3038-M3040 PolarHBondContact O-N 3.27Å; L3038-N3041 PolarHBondContact O-N 3.07Å |
| 3039 | C | 81.2 | Confident | 74.3 | Confident | 1.75 Ų | 1.75 | 45.3 Ų | 45.3 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -19.5 | 179.5 | -68.3 | 0 | 0 | 0 | 0 | 113.6 | V3035 C3036 H3037 N3041 D3042 V3045 C3047 I3050 N3197 | V3035-C3039 VanDerWaalsContact O-CB 3.32Å; V3035-C3039 WeakPolarHBondContact O-CB 3.36Å; V3035-C3039 PolarHBondContact O-N 3.19Å; V3035-C3039 PolarHBondContact O-SG 2.99Å; V3035-C3039 VanDerWaalsContact O-SG 3.37Å; C3036-C3039 PolarHBondContact O-N 3.01Å; H3037-C3039 VanDerWaalsContact C-N 3.27Å; H3037-C3039 PolarHBondContact O-N 3.08Å; C3039-N3041 PolarHBondContact O-N 2.86Å; C3039-N3041 VanDerWaalsContact O-N 3.1Å; C3039-D3042 WeakPolarHBondContact CA-OD2 3.41Å; C3039-D3042 VanDerWaalsContact O-CB 3.32Å; C3039-D3042 WeakPolarHBondContact O-CB 3.28Å; C3039-D3042 PolarHBondContact O-N 3.02Å; C3039-D3042 VanDerWaalsContact O-N 3.07Å; C3039-D3042 PolarHBondContact SG-OD2 3.24Å; C3039-V3045 HydrophobicContact CB-CB 4.21Å; C3039-V3045 HydrophobicContact CB-CG1 4.29Å; C3039-C3047 WeakPolarHBondContact CB-SG 3.05Å; C3039-I3050 HydrophobicContact CB-CD1 4.37Å; C3039-N3197 PolarHBondContact O-ND2 3.19Å; C3039-N3197 PolarHBondContact O-OD1 3.06Å |
| 3040 | M | 75.8 | Confident | 73.1 | Confident | 69.75 Ų | 69.75 | 45.6 Ų | 45.6 | 34% | 0.344 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.6 | 175.6 | -68.1 | -125.2 | 96.3 | 0 | 0 | 113.5 | C3036 H3037 L3038 E3200 Y3313 E3320 Y3323 | C3036-M3040 WeakPolarHBondContact O-CG 3.43Å; C3036-M3040 PolarHBondContact O-N 3.09Å; H3037-M3040 WeakPolarHBondContact O-CB 3.35Å; H3037-M3040 WeakPolarHBondContact O-CG 3.4Å; H3037-M3040 PolarHBondContact O-N 3.23Å; H3037-M3040 VanDerWaalsContact O-N 3.1Å; L3038-M3040 VanDerWaalsContact C-N 3.27Å; L3038-M3040 PolarHBondContact O-N 3.27Å; M3040-E3200 HydrophobicContact CE-CG 3.67Å; M3040-E3200 VanDerWaalsContact CE-CG 3.5Å; M3040-E3200 HydrophobicContact SD-CG 4.06Å; M3040-Y3313 WeakPolarHBondContact CE-OH 3.39Å; M3040-E3320 HydrophobicContact CG-CG 4.49Å; M3040-Y3323 HydrophobicContact CE-CD1 3.78Å; M3040-Y3323 HydrophobicContact CE-CD2 4.29Å; M3040-Y3323 HydrophobicContact CE-CE1 4.16Å; M3040-Y3323 HydrophobicContact CE-CE2 4.47Å; M3040-Y3323 HydrophobicContact CE-CG 3.75Å |
| 3041 | N | 73.8 | Confident | 71.9 | Confident | 127 Ų | 127 | 47.5 Ų | 47.5 | 68% | 0.679 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -2.6 | 178.2 | -61.6 | -56.5 | 0 | 0 | 0 | 113.6 | L3038 C3039 P3043 | L3038-N3041 PolarHBondContact O-N 3.07Å; C3039-N3041 PolarHBondContact O-N 2.86Å; C3039-N3041 VanDerWaalsContact O-N 3.1Å; N3041-P3043 WeakPolarHBondContact O-CD 3.46Å |
| 3042 | D | 76.5 | Confident | 70.6 | Confident | 22.25 Ų | 22.25 | 53.4 Ų | 53.4 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -85.5 | 131.2 | -176.6 | -74.9 | -22.5 | 0 | 0 | 0 | 111.7 | A2994 R2997 C3039 S3044 V3045 N3197 | A2994-D3042 HydrophobicContact CB-CB 4.29Å; A2994-D3042 VanDerWaalsContact CB-CG 3.46Å; A2994-D3042 VanDerWaalsContact CB-OD1 3.29Å; A2994-D3042 WeakPolarHBondContact CB-OD1 3.42Å; A2994-D3042 WeakPolarHBondContact CB-OD2 3.35Å; R2997-D3042 IonicContact CZ-OD1 3.38Å; R2997-D3042 IonicContact CZ-OD2 2.93Å; R2997-D3042 VanDerWaalsContact CZ-OD2 3.26Å; R2997-D3042 IonicContact NE-OD1 3.2Å; R2997-D3042 IonicContact NE-OD2 3.22Å; R2997-D3042 PolarHBondContact NE-OD2 3.28Å; R2997-D3042 IonicContact NH2-OD1 3.06Å; R2997-D3042 PolarHBondContact NH2-OD1 3.11Å; R2997-D3042 IonicContact NH2-OD2 3.12Å; R2997-D3042 PolarHBondContact NH2-OD2 3.26Å; C3039-D3042 WeakPolarHBondContact CA-OD2 3.41Å; C3039-D3042 VanDerWaalsContact O-CB 3.32Å; C3039-D3042 WeakPolarHBondContact O-CB 3.28Å; C3039-D3042 PolarHBondContact O-N 3.02Å; C3039-D3042 VanDerWaalsContact O-N 3.07Å; C3039-D3042 PolarHBondContact SG-OD2 3.24Å; D3042-S3044 PolarHBondContact O-N 2.97Å; D3042-S3044 VanDerWaalsContact O-N 3.15Å; D3042-V3045 HydrophobicContact CB-CB 4.33Å; D3042-V3045 HydrophobicContact CB-CG2 4.19Å; D3042-V3045 PolarHBondContact O-N 3.48Å; D3042-N3197 PolarHBondContact O-ND2 3.18Å; D3042-N3197 VanDerWaalsContact O-ND2 3.12Å |
| 3043 | P | 67.7 | Low | 69.2 | Low | 116.75 Ų | 116.75 | 55 Ų | 55 | 76% | 0.758 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 62.9 | 176.1 | 28.7 | -35 | 0 | 0 | 0 | 111.8 | N3041 V3045 | N3041-P3043 WeakPolarHBondContact O-CD 3.46Å; P3043-V3045 VanDerWaalsContact O-CG2 3.31Å; P3043-V3045 WeakPolarHBondContact O-CG2 3.35Å |
| 3044 | S | 66.5 | Low | 67.9 | Low | 67.75 Ų | 67.75 | 54.9 Ų | 54.9 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 71.6 | 179.7 | 5 | 0 | 0 | 0 | 0 | 112.7 | D3042 L3195 I3196 | D3042-S3044 PolarHBondContact O-N 2.97Å; D3042-S3044 VanDerWaalsContact O-N 3.15Å; S3044-L3195 VanDerWaalsContact CB-C 3.47Å; S3044-L3195 WeakPolarHBondContact CB-O 3.41Å; S3044-I3196 CarbonylContact C-O 3.59Å; S3044-I3196 WeakPolarHBondContact CA-O 3.37Å |
| 3045 | V | 62.8 | Low | 66.6 | Low | 40 Ų | 40 | 55.6 Ų | 55.6 | 24% | 0.242 | 30% | 0.299 | C | S | . | . | trans | -120.7 | 126.4 | -174.5 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | C2998 I3001 C3039 D3042 P3043 C3047 I3050 L3195 I3196 | C2998-V3045 HydrophobicContact CB-CG2 4.37Å; I3001-V3045 HydrophobicContact CD1-CG1 3.85Å; C3039-V3045 HydrophobicContact CB-CB 4.21Å; C3039-V3045 HydrophobicContact CB-CG1 4.29Å; D3042-V3045 HydrophobicContact CB-CB 4.33Å; D3042-V3045 HydrophobicContact CB-CG2 4.19Å; D3042-V3045 PolarHBondContact O-N 3.48Å; P3043-V3045 VanDerWaalsContact O-CG2 3.31Å; P3043-V3045 WeakPolarHBondContact O-CG2 3.35Å; V3045-C3047 PolarHBondContact O-N 3.19Å; V3045-I3050 HydrophobicContact CG1-CD1 3.89Å; V3045-I3050 HydrophobicContact CG1-CG1 4.38Å; V3045-L3195 CarbonylContact O-C 3.53Å; V3045-L3195 WeakPolarHBondContact O-CA 3.34Å; V3045-I3196 PolarHBondContact N-O 3.19Å; V3045-I3196 PolarHBondContact O-N 3.05Å | ||
| 3046 | Q | 58.7 | Low | 65.3 | Low | 117.75 Ų | 117.75 | 58.7 Ų | 58.7 | 55% | 0.55 | 32% | 0.321 | S | S | * | . | trans | -68.6 | 116.8 | 170.8 | -68.6 | -171.9 | -34.2 | 0 | 0 | 109.4 | E3048 D3049 N3193 L3195 | Q3046-E3048 HydrophobicContact CB-CB 4.4Å; Q3046-E3048 PolarHBondContact O-N 3.17Å; Q3046-D3049 PolarHBondContact O-N 3.23Å; Q3046-N3193 PolarHBondContact NE2-OD1 3.19Å; Q3046-L3195 HydrophobicContact CB-CD2 4.48Å; Q3046-L3195 HydrophobicContact CG-CD2 3.62Å | ||
| 3047 | C | 55.6 | Low | 63.9 | Low | 25 Ų | 25 | 59.3 Ų | 59.3 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | trans | -87.4 | 23.6 | 179.9 | -115.9 | 0 | 0 | 0 | 0 | 112.9 | K3002 C3039 V3045 D3049 I3050 L3051 Q3194 I3196 | K3002-C3047 WeakPolarHBondContact CE-SG 3.35Å; C3039-C3047 WeakPolarHBondContact CB-SG 3.05Å; V3045-C3047 PolarHBondContact O-N 3.19Å; C3047-D3049 VanDerWaalsContact C-N 3.3Å; C3047-D3049 PolarHBondContact O-N 2.97Å; C3047-I3050 HydrophobicContact CB-CB 4.38Å; C3047-I3050 HydrophobicContact CB-CD1 4.12Å; C3047-I3050 HydrophobicContact CB-CG1 4.3Å; C3047-I3050 PolarHBondContact O-N 3.37Å; C3047-I3050 VanDerWaalsContact SG-CB 3.58Å; C3047-I3050 WeakPolarHBondContact SG-CD1 3.46Å; C3047-I3050 VanDerWaalsContact SG-CG1 3.54Å; C3047-L3051 WeakPolarHBondContact O-CB 3.4Å; C3047-L3051 PolarHBondContact O-N 3.28Å; C3047-L3051 VanDerWaalsContact O-N 3.08Å; C3047-L3051 VanDerWaalsContact SG-CD1 3.58Å; C3047-L3051 PolarHBondContact SG-N 3.25Å; C3047-Q3194 PolarHBondContact N-O 2.71Å; C3047-I3196 HydrophobicContact CB-CD1 3.24Å; C3047-I3196 HydrophobicContact CB-CG1 3.67Å; C3047-I3196 WeakPolarHBondContact SG-CD1 3.48Å | ||
| 3048 | E | 57.6 | Low | 62.5 | Low | 105.75 Ų | 105.75 | 58.1 Ų | 58.1 | 49% | 0.494 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 171.4 | -65.4 | -179.8 | 172.1 | 0 | 0 | 111.6 | Q3046 I3050 L3051 H3052 R3172 C3192 | Q3046-E3048 HydrophobicContact CB-CB 4.4Å; Q3046-E3048 PolarHBondContact O-N 3.17Å; E3048-I3050 VanDerWaalsContact C-N 3.3Å; E3048-I3050 PolarHBondContact O-N 3.02Å; E3048-L3051 WeakPolarHBondContact O-CB 3.19Å; E3048-L3051 PolarHBondContact O-N 3.14Å; E3048-L3051 VanDerWaalsContact O-N 3.11Å; E3048-H3052 VanDerWaalsContact O-CB 3.29Å; E3048-H3052 WeakPolarHBondContact O-CB 3.4Å; E3048-H3052 PolarHBondContact O-CD2 3.32Å; E3048-H3052 PolarHBondContact O-N 3.26Å; E3048-R3172 IonicContact OE1-CZ 2.69Å; E3048-R3172 IonicContact OE1-NH1 3.15Å; E3048-R3172 IonicContact OE1-NH2 2.7Å; E3048-R3172 PolarHBondContact OE1-NH2 2.94Å; E3048-C3192 HydrophobicContact CG-CB 4.18Å; E3048-C3192 WeakPolarHBondContact OE1-CB 3.4Å; E3048-C3192 PolarHBondContact OE1-SG 3.02Å |
| 3049 | D | 55.5 | Low | 61 | Low | 86.75 Ų | 86.75 | 60.2 Ų | 60.2 | 46% | 0.464 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | -179.5 | -59.2 | -35.5 | 0 | 0 | 0 | 113.1 | K3002 L3006 Q3046 C3047 H3052 S3053 | K3002-D3049 WeakPolarHBondContact CE-OD2 3.29Å; K3002-D3049 IonicContact NZ-OD2 3.15Å; K3002-D3049 PolarHBondContact NZ-OD2 3.28Å; L3006-D3049 HydrophobicContact CD1-CB 4.09Å; Q3046-D3049 PolarHBondContact O-N 3.23Å; C3047-D3049 VanDerWaalsContact C-N 3.3Å; C3047-D3049 PolarHBondContact O-N 2.97Å; D3049-H3052 PolarHBondContact O-N 3.09Å; D3049-S3053 WeakPolarHBondContact O-CB 3.38Å; D3049-S3053 PolarHBondContact O-N 3.12Å; D3049-S3053 VanDerWaalsContact O-N 3.09Å; D3049-S3053 PolarHBondContact O-OG 3.23Å |
| 3050 | I | 56.8 | Low | 59.4 | Low | 10.25 Ų | 10.25 | 62.5 Ų | 62.5 | 5% | 0.053 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.4 | -42 | -180 | -60.6 | 175.6 | 0 | 0 | 0 | 109.6 | I3001 L3006 I3032 V3035 C3039 V3045 C3047 E3048 H3052 S3053 F3054 I3196 P3198 C3201 | I3001-I3050 HydrophobicContact CD1-CD1 3.79Å; I3001-I3050 HydrophobicContact CD1-CG1 4.23Å; I3001-I3050 HydrophobicContact CG1-CD1 4.06Å; I3001-I3050 HydrophobicContact CG2-CD1 3.87Å; I3001-I3050 HydrophobicContact CG2-CG1 3.95Å; L3006-I3050 HydrophobicContact CD1-CD1 4.01Å; L3006-I3050 HydrophobicContact CD1-CG1 3.88Å; L3006-I3050 HydrophobicContact CD1-CG2 4.28Å; I3032-I3050 HydrophobicContact CG2-CG2 4.36Å; V3035-I3050 HydrophobicContact CG1-CD1 4.34Å; C3039-I3050 HydrophobicContact CB-CD1 4.37Å; V3045-I3050 HydrophobicContact CG1-CD1 3.89Å; V3045-I3050 HydrophobicContact CG1-CG1 4.38Å; C3047-I3050 HydrophobicContact CB-CB 4.38Å; C3047-I3050 HydrophobicContact CB-CD1 4.12Å; C3047-I3050 HydrophobicContact CB-CG1 4.3Å; C3047-I3050 PolarHBondContact O-N 3.37Å; C3047-I3050 VanDerWaalsContact SG-CB 3.58Å; C3047-I3050 WeakPolarHBondContact SG-CD1 3.46Å; C3047-I3050 VanDerWaalsContact SG-CG1 3.54Å; E3048-I3050 VanDerWaalsContact C-N 3.3Å; E3048-I3050 PolarHBondContact O-N 3.02Å; I3050-H3052 VanDerWaalsContact C-N 3.33Å; I3050-S3053 PolarHBondContact O-N 3.21Å; I3050-F3054 HydrophobicContact CG2-CD2 4.1Å; I3050-F3054 HydrophobicContact CG2-CE2 4.29Å; I3050-F3054 WeakPolarHBondContact O-CB 3.43Å; I3050-F3054 WeakPolarHBondContact O-CD2 3.36Å; I3050-F3054 PolarHBondContact O-N 3.15Å; I3050-I3196 HydrophobicContact CG2-CD1 4.47Å; I3050-P3198 HydrophobicContact CD1-CB 4.17Å; I3050-C3201 HydrophobicContact CG2-CB 4.25Å; I3050-C3201 WeakPolarHBondContact CG2-SG 3.44Å |
| 3051 | L | 56.9 | Low | 57.7 | Low | 50.5 Ų | 50.5 | 60.7 Ų | 60.7 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 177.5 | -129.4 | 100.3 | 0 | 0 | 0 | 111.4 | C3047 E3048 S3053 F3054 I3055 L3124 F3165 I3166 L3191 I3196 P3198 | C3047-L3051 WeakPolarHBondContact O-CB 3.4Å; C3047-L3051 PolarHBondContact O-N 3.28Å; C3047-L3051 VanDerWaalsContact O-N 3.08Å; C3047-L3051 VanDerWaalsContact SG-CD1 3.58Å; C3047-L3051 PolarHBondContact SG-N 3.25Å; E3048-L3051 WeakPolarHBondContact O-CB 3.19Å; E3048-L3051 PolarHBondContact O-N 3.14Å; E3048-L3051 VanDerWaalsContact O-N 3.11Å; L3051-S3053 VanDerWaalsContact C-N 3.34Å; L3051-S3053 PolarHBondContact O-N 3.2Å; L3051-F3054 PolarHBondContact O-N 2.9Å; L3051-F3054 VanDerWaalsContact O-N 3.15Å; L3051-I3055 HydrophobicContact CB-CD1 4.47Å; L3051-I3055 HydrophobicContact CD2-CD1 4.24Å; L3051-I3055 HydrophobicContact CG-CD1 4.26Å; L3051-I3055 WeakPolarHBondContact O-CB 3.26Å; L3051-I3055 VanDerWaalsContact O-CD1 3.32Å; L3051-I3055 WeakPolarHBondContact O-CD1 3.22Å; L3051-I3055 VanDerWaalsContact O-CG1 3.24Å; L3051-I3055 WeakPolarHBondContact O-CG1 3.39Å; L3051-I3055 PolarHBondContact O-N 3.32Å; L3051-L3124 HydrophobicContact CD2-CD1 3.91Å; L3051-F3165 HydrophobicContact CD1-CD1 3.95Å; L3051-F3165 HydrophobicContact CD1-CE1 3.65Å; L3051-F3165 HydrophobicContact CD1-CE2 4.45Å; L3051-F3165 HydrophobicContact CD1-CZ 3.63Å; L3051-F3165 HydrophobicContact CD2-CD1 3.59Å; L3051-F3165 HydrophobicContact CD2-CE1 4.18Å; L3051-F3165 HydrophobicContact CD2-CG 4.35Å; L3051-F3165 HydrophobicContact CG-CD1 4.28Å; L3051-F3165 HydrophobicContact CG-CE1 4.46Å; L3051-I3166 HydrophobicContact CD2-CG1 4.41Å; L3051-L3191 HydrophobicContact CD2-CD2 4.43Å; L3051-I3196 HydrophobicContact CD1-CD1 4.29Å; L3051-P3198 HydrophobicContact CD1-CB 4.35Å |
| 3052 | H | 59.2 | Low | 56 | Low | 126.75 Ų | 126.75 | 58.1 Ų | 58.1 | 59% | 0.587 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 176 | -93 | -71.2 | 0 | 0 | 0 | 112.3 | E3048 D3049 I3050 F3054 I3055 S3056 | E3048-H3052 VanDerWaalsContact O-CB 3.29Å; E3048-H3052 WeakPolarHBondContact O-CB 3.4Å; E3048-H3052 PolarHBondContact O-CD2 3.32Å; E3048-H3052 PolarHBondContact O-N 3.26Å; D3049-H3052 PolarHBondContact O-N 3.09Å; I3050-H3052 VanDerWaalsContact C-N 3.33Å; H3052-F3054 VanDerWaalsContact C-N 3.32Å; H3052-F3054 PolarHBondContact O-N 3.36Å; H3052-I3055 PolarHBondContact O-N 3.19Å; H3052-S3056 VanDerWaalsContact O-CB 3.31Å; H3052-S3056 WeakPolarHBondContact O-CB 3.28Å; H3052-S3056 PolarHBondContact O-N 3.15Å |
| 3053 | S | 54.5 | Low | 54 | Low | 36.25 Ų | 36.25 | 61.9 Ų | 61.9 | 25% | 0.253 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 174.5 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | L3006 D3049 I3050 L3051 S3056 L3057 | L3006-S3053 WeakPolarHBondContact CD2-OG 3.43Å; L3006-S3053 PolarHBondContact O-OG 3.22Å; L3006-S3053 VanDerWaalsContact O-OG 3.1Å; D3049-S3053 WeakPolarHBondContact O-CB 3.38Å; D3049-S3053 PolarHBondContact O-N 3.12Å; D3049-S3053 VanDerWaalsContact O-N 3.09Å; D3049-S3053 PolarHBondContact O-OG 3.23Å; I3050-S3053 PolarHBondContact O-N 3.21Å; L3051-S3053 VanDerWaalsContact C-N 3.34Å; L3051-S3053 PolarHBondContact O-N 3.2Å; S3053-S3056 WeakPolarHBondContact O-CB 3.47Å; S3053-S3056 PolarHBondContact O-N 3.03Å; S3053-L3057 WeakPolarHBondContact O-CB 3.39Å; S3053-L3057 PolarHBondContact O-N 3.17Å |
| 3054 | F | 54.5 | Low | 52.5 | Low | 17.75 Ų | 17.75 | 61.9 Ų | 61.9 | 8% | 0.078 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 175.2 | -127.7 | -85.8 | 0 | 0 | 0 | 112.9 | F3005 I3012 I3032 I3050 L3051 H3052 S3056 L3057 V3058 F3161 I3162 L3205 H3208 | F3005-F3054 AromaticContact CD1-CE2 3.63Å; F3005-F3054 HydrophobicContact CD1-CE2 3.63Å; F3005-F3054 AromaticContact CD1-CZ 3.87Å; F3005-F3054 HydrophobicContact CD1-CZ 3.87Å; F3005-F3054 AromaticContact CE1-CE2 3.86Å; F3005-F3054 HydrophobicContact CE1-CE2 3.86Å; F3005-F3054 AromaticContact CE1-CZ 3.78Å; F3005-F3054 HydrophobicContact CE1-CZ 3.78Å; F3005-F3054 HydrophobicContact CG-CE2 4.22Å; I3012-F3054 HydrophobicContact CD1-CD2 4Å; I3012-F3054 HydrophobicContact CD1-CE2 3.96Å; I3012-F3054 HydrophobicContact CG2-CD1 4.44Å; I3012-F3054 HydrophobicContact CG2-CD2 4.17Å; I3012-F3054 HydrophobicContact CG2-CE1 3.95Å; I3012-F3054 HydrophobicContact CG2-CE2 3.68Å; I3012-F3054 HydrophobicContact CG2-CZ 3.82Å; I3032-F3054 HydrophobicContact CD1-CE1 4.23Å; I3032-F3054 HydrophobicContact CD1-CE2 4.09Å; I3032-F3054 HydrophobicContact CD1-CZ 3.87Å; I3032-F3054 HydrophobicContact CG1-CZ 3.94Å; I3032-F3054 HydrophobicContact CG2-CE1 4.4Å; I3032-F3054 HydrophobicContact CG2-CE2 4.12Å; I3032-F3054 HydrophobicContact CG2-CZ 4.09Å; I3050-F3054 HydrophobicContact CG2-CD2 4.1Å; I3050-F3054 HydrophobicContact CG2-CE2 4.29Å; I3050-F3054 WeakPolarHBondContact O-CB 3.43Å; I3050-F3054 WeakPolarHBondContact O-CD2 3.36Å; I3050-F3054 PolarHBondContact O-N 3.15Å; L3051-F3054 PolarHBondContact O-N 2.9Å; L3051-F3054 VanDerWaalsContact O-N 3.15Å; H3052-F3054 VanDerWaalsContact C-N 3.32Å; H3052-F3054 PolarHBondContact O-N 3.36Å; F3054-S3056 VanDerWaalsContact C-N 3.28Å; F3054-S3056 PolarHBondContact O-N 3.13Å; F3054-L3057 HydrophobicContact CD2-CD2 4.43Å; F3054-L3057 HydrophobicContact CE2-CD2 4.23Å; F3054-L3057 HydrophobicContact CZ-CD2 4.29Å; F3054-L3057 VanDerWaalsContact O-CB 3.27Å; F3054-L3057 WeakPolarHBondContact O-CB 3.2Å; F3054-L3057 PolarHBondContact O-N 3.01Å; F3054-L3057 VanDerWaalsContact O-N 3.15Å; F3054-V3058 HydrophobicContact CD1-CG2 4.26Å; F3054-V3058 HydrophobicContact CE1-CG2 4.09Å; F3054-V3058 WeakPolarHBondContact O-CG2 3.44Å; F3054-V3058 PolarHBondContact O-N 3.28Å; F3054-V3058 VanDerWaalsContact O-N 3.11Å; F3054-F3161 AromaticContact CD1-CD1 3.77Å; F3054-F3161 HydrophobicContact CD1-CD1 3.77Å; F3054-F3161 AromaticContact CD1-CE1 3.57Å; F3054-F3161 HydrophobicContact CD1-CE1 3.57Å; F3054-F3161 HydrophobicContact CD1-CZ 4.26Å; F3054-F3161 HydrophobicContact CD2-CD1 4.15Å; F3054-F3161 AromaticContact CD2-CE1 3.77Å; F3054-F3161 HydrophobicContact CD2-CE1 3.77Å; F3054-F3161 HydrophobicContact CD2-CE2 4.23Å; F3054-F3161 AromaticContact CD2-CZ 3.63Å; F3054-F3161 HydrophobicContact CD2-CZ 3.63Å; F3054-F3161 HydrophobicContact CE1-CB 4.31Å; F3054-F3161 AromaticContact CE1-CD1 3.27Å; F3054-F3161 HydrophobicContact CE1-CD1 3.27Å; F3054-F3161 VanDerWaalsContact CE1-CD1 3.48Å; F3054-F3161 HydrophobicContact CE1-CD2 4.12Å; F3054-F3161 AromaticContact CE1-CE1 3.49Å; F3054-F3161 HydrophobicContact CE1-CE1 3.49Å; F3054-F3161 VanDerWaalsContact CE1-CE1 3.46Å; F3054-F3161 HydrophobicContact CE1-CE2 4.13Å; F3054-F3161 AromaticContact CE1-CG 3.74Å; F3054-F3161 HydrophobicContact CE1-CG 3.74Å; F3054-F3161 AromaticContact CE1-CZ 3.85Å; F3054-F3161 HydrophobicContact CE1-CZ 4.1Å; F3054-F3161 AromaticContact CE2-CD1 3.66Å; F3054-F3161 HydrophobicContact CE2-CD1 4.05Å; F3054-F3161 AromaticContact CE2-CD2 3.88Å; F3054-F3161 HydrophobicContact CE2-CD2 3.98Å; F3054-F3161 AromaticContact CE2-CE1 3.7Å; F3054-F3161 HydrophobicContact CE2-CE1 3.7Å; F3054-F3161 AromaticContact CE2-CE2 3.59Å; F3054-F3161 HydrophobicContact CE2-CE2 3.59Å; F3054-F3161 VanDerWaalsContact CE2-CE2 3.42Å; F3054-F3161 AromaticContact CE2-CG 3.82Å; F3054-F3161 HydrophobicContact CE2-CG 3.82Å; F3054-F3161 AromaticContact CE2-CZ 3.44Å; F3054-F3161 HydrophobicContact CE2-CZ 3.44Å; F3054-F3161 HydrophobicContact CG-CD1 4.15Å; F3054-F3161 AromaticContact CG-CE1 3.72Å; F3054-F3161 HydrophobicContact CG-CE1 3.72Å; F3054-F3161 AromaticContact CG-CZ 3.95Å; F3054-F3161 HydrophobicContact CG-CZ 4.05Å; F3054-F3161 HydrophobicContact CZ-CB 3.78Å; F3054-F3161 AromaticContact CZ-CD1 3.44Å; F3054-F3161 HydrophobicContact CZ-CD1 3.44Å; F3054-F3161 AromaticContact CZ-CD2 3.66Å; F3054-F3161 HydrophobicContact CZ-CD2 3.66Å; F3054-F3161 AromaticContact CZ-CE1 3.57Å; F3054-F3161 HydrophobicContact CZ-CE1 3.57Å; F3054-F3161 VanDerWaalsContact CZ-CE1 3.47Å; F3054-F3161 AromaticContact CZ-CE2 3.4Å; F3054-F3161 HydrophobicContact CZ-CE2 3.74Å; F3054-F3161 VanDerWaalsContact CZ-CE2 3.4Å; F3054-F3161 AromaticContact CZ-CG 3.49Å; F3054-F3161 HydrophobicContact CZ-CG 3.49Å; F3054-F3161 AromaticContact CZ-CZ 3.71Å; F3054-F3161 HydrophobicContact CZ-CZ 3.71Å; F3054-F3161 VanDerWaalsContact CZ-CZ 3.46Å; F3054-I3162 HydrophobicContact CB-CD1 4.03Å; F3054-I3162 HydrophobicContact CD1-CD1 4.42Å; F3054-L3205 HydrophobicContact CD2-CD1 4Å; F3054-L3205 HydrophobicContact CD2-CD2 3.63Å; F3054-L3205 HydrophobicContact CE2-CD1 4.03Å; F3054-L3205 HydrophobicContact CE2-CD2 3.74Å; F3054-L3205 HydrophobicContact CE2-CG 4.33Å; F3054-H3208 AromaticContact CZ-NE2 3.98Å |
| 3055 | I | 56.6 | Low | 50.9 | Low | 46 Ų | 46 | 62.2 Ų | 62.2 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 176.2 | -69.1 | 162.7 | 0 | 0 | 0 | 110.6 | L3051 H3052 L3057 V3058 N3059 L3124 I3162 I3166 | L3051-I3055 HydrophobicContact CB-CD1 4.47Å; L3051-I3055 HydrophobicContact CD2-CD1 4.24Å; L3051-I3055 HydrophobicContact CG-CD1 4.26Å; L3051-I3055 WeakPolarHBondContact O-CB 3.26Å; L3051-I3055 VanDerWaalsContact O-CD1 3.32Å; L3051-I3055 WeakPolarHBondContact O-CD1 3.22Å; L3051-I3055 VanDerWaalsContact O-CG1 3.24Å; L3051-I3055 WeakPolarHBondContact O-CG1 3.39Å; L3051-I3055 PolarHBondContact O-N 3.32Å; H3052-I3055 PolarHBondContact O-N 3.19Å; I3055-L3057 VanDerWaalsContact C-N 3.31Å; I3055-L3057 PolarHBondContact O-N 2.97Å; I3055-V3058 PolarHBondContact O-N 3.21Å; I3055-N3059 WeakPolarHBondContact CG2-ND2 3.11Å; I3055-N3059 WeakPolarHBondContact O-CB 3.25Å; I3055-N3059 VanDerWaalsContact O-CG 3.29Å; I3055-N3059 PolarHBondContact O-N 3Å; I3055-N3059 VanDerWaalsContact O-N 3.09Å; I3055-N3059 PolarHBondContact O-ND2 3.14Å; I3055-L3124 HydrophobicContact CG1-CD2 4.39Å; I3055-I3162 HydrophobicContact CD1-CG2 4.5Å; I3055-I3162 HydrophobicContact CG1-CG2 3.53Å; I3055-I3166 HydrophobicContact CD1-CD1 3.39Å; I3055-I3166 HydrophobicContact CD1-CG1 3.94Å; I3055-I3166 HydrophobicContact CG1-CD1 3.69Å |
| 3056 | S | 56.2 | Low | 49.4 | Very low | 66.75 Ų | 66.75 | 68.1 Ų | 68.1 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 174.3 | -171 | 0 | 0 | 0 | 0 | 112.1 | H3052 S3053 F3054 V3058 N3059 S3060 | H3052-S3056 VanDerWaalsContact O-CB 3.31Å; H3052-S3056 WeakPolarHBondContact O-CB 3.28Å; H3052-S3056 PolarHBondContact O-N 3.15Å; S3053-S3056 WeakPolarHBondContact O-CB 3.47Å; S3053-S3056 PolarHBondContact O-N 3.03Å; F3054-S3056 VanDerWaalsContact C-N 3.28Å; F3054-S3056 PolarHBondContact O-N 3.13Å; S3056-V3058 VanDerWaalsContact C-N 3.3Å; S3056-V3058 PolarHBondContact O-N 3.31Å; S3056-N3059 PolarHBondContact O-N 3.13Å; S3056-S3060 WeakPolarHBondContact O-CB 3.32Å; S3056-S3060 PolarHBondContact O-N 3.26Å; S3056-S3060 PolarHBondContact O-OG 3.34Å |
| 3057 | L | 52.7 | Low | 48.1 | Very low | 25 Ų | 25 | 68.5 Ų | 68.5 | 13% | 0.131 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.2 | -42.4 | 173.6 | -146.5 | 101.7 | 0 | 0 | 0 | 112.4 | P3009 I3012 R3013 F3017 S3053 F3054 I3055 S3060 S3061 L3205 | P3009-L3057 HydrophobicContact CB-CB 3.98Å; P3009-L3057 HydrophobicContact CB-CD1 3.61Å; P3009-L3057 HydrophobicContact CB-CD2 3.9Å; P3009-L3057 HydrophobicContact CB-CG 4.11Å; P3009-L3057 WeakPolarHBondContact O-CD2 3.39Å; I3012-L3057 HydrophobicContact CB-CD1 4.32Å; I3012-L3057 HydrophobicContact CG2-CD1 4.44Å; I3012-L3057 HydrophobicContact CG2-CD2 4.44Å; R3013-L3057 HydrophobicContact CB-CD1 4.06Å; R3013-L3057 HydrophobicContact CB-CD2 3.8Å; R3013-L3057 HydrophobicContact CB-CG 4.03Å; R3013-L3057 HydrophobicContact CG-CD2 4.09Å; R3013-L3057 HydrophobicContact CG-CG 4.44Å; F3017-L3057 HydrophobicContact CD2-CD2 3.94Å; F3017-L3057 HydrophobicContact CE2-CD2 3.61Å; F3017-L3057 HydrophobicContact CZ-CD2 4.5Å; S3053-L3057 WeakPolarHBondContact O-CB 3.39Å; S3053-L3057 PolarHBondContact O-N 3.17Å; F3054-L3057 HydrophobicContact CD2-CD2 4.43Å; F3054-L3057 HydrophobicContact CE2-CD2 4.23Å; F3054-L3057 HydrophobicContact CZ-CD2 4.29Å; F3054-L3057 VanDerWaalsContact O-CB 3.27Å; F3054-L3057 WeakPolarHBondContact O-CB 3.2Å; F3054-L3057 PolarHBondContact O-N 3.01Å; F3054-L3057 VanDerWaalsContact O-N 3.15Å; I3055-L3057 VanDerWaalsContact C-N 3.31Å; I3055-L3057 PolarHBondContact O-N 2.97Å; L3057-S3060 PolarHBondContact O-OG 2.97Å; L3057-S3061 PolarHBondContact O-OG 3.31Å; L3057-L3205 HydrophobicContact CD2-CD1 4.21Å |
| 3058 | V | 51 | Low | 46.8 | Very low | 28.25 Ų | 28.25 | 71.2 Ų | 71.2 | 17% | 0.171 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -72.2 | -44 | 178.5 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | F3054 I3055 S3056 S3060 S3061 A3158 T3159 I3162 | F3054-V3058 HydrophobicContact CD1-CG2 4.26Å; F3054-V3058 HydrophobicContact CE1-CG2 4.09Å; F3054-V3058 WeakPolarHBondContact O-CG2 3.44Å; F3054-V3058 PolarHBondContact O-N 3.28Å; F3054-V3058 VanDerWaalsContact O-N 3.11Å; I3055-V3058 PolarHBondContact O-N 3.21Å; S3056-V3058 VanDerWaalsContact C-N 3.3Å; S3056-V3058 PolarHBondContact O-N 3.31Å; V3058-S3060 VanDerWaalsContact C-N 3.29Å; V3058-S3060 PolarHBondContact O-N 3.19Å; V3058-S3061 WeakPolarHBondContact O-CB 3.22Å; V3058-S3061 PolarHBondContact O-N 2.76Å; V3058-S3061 VanDerWaalsContact O-N 3.15Å; V3058-S3061 PolarHBondContact O-OG 3.09Å; V3058-A3158 HydrophobicContact CG1-CB 4.18Å; V3058-A3158 HydrophobicContact CG2-CB 3.74Å; V3058-T3159 HydrophobicContact CG1-CG2 4.06Å; V3058-T3159 WeakPolarHBondContact CG1-OG1 3.48Å; V3058-I3162 HydrophobicContact CB-CD1 4.21Å; V3058-I3162 HydrophobicContact CG1-CD1 3.73Å; V3058-I3162 HydrophobicContact CG2-CD1 3.53Å |
| 3059 | N | 49.9 | Very low | 45.4 | Very low | 77 Ų | 77 | 71.7 Ų | 71.7 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -72.7 | -26.8 | -176.8 | -69.7 | -15.1 | 0 | 0 | 0 | 114 | I3055 S3056 S3061 T3062 T3063 | I3055-N3059 WeakPolarHBondContact CG2-ND2 3.11Å; I3055-N3059 WeakPolarHBondContact O-CB 3.25Å; I3055-N3059 VanDerWaalsContact O-CG 3.29Å; I3055-N3059 PolarHBondContact O-N 3Å; I3055-N3059 VanDerWaalsContact O-N 3.09Å; I3055-N3059 PolarHBondContact O-ND2 3.14Å; S3056-N3059 PolarHBondContact O-N 3.13Å; N3059-S3061 VanDerWaalsContact C-N 3.25Å; N3059-S3061 PolarHBondContact O-N 3.19Å; N3059-S3061 VanDerWaalsContact O-N 3.08Å; N3059-T3062 PolarHBondContact O-N 3.39Å; N3059-T3062 PolarHBondContact O-OG1 3.18Å; N3059-T3062 VanDerWaalsContact O-OG1 3.11Å; N3059-T3063 PolarHBondContact O-OG1 3.13Å |
| 3060 | S | 48.2 | Very low | 44.1 | Very low | 49.75 Ų | 49.75 | 75.3 Ų | 75.3 | 35% | 0.348 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.2 | 176.5 | 37.4 | 0 | 0 | 0 | 0 | 113.4 | S3056 L3057 V3058 T3062 | S3056-S3060 WeakPolarHBondContact O-CB 3.32Å; S3056-S3060 PolarHBondContact O-N 3.26Å; S3056-S3060 PolarHBondContact O-OG 3.34Å; L3057-S3060 PolarHBondContact O-OG 2.97Å; V3058-S3060 VanDerWaalsContact C-N 3.29Å; V3058-S3060 PolarHBondContact O-N 3.19Å; S3060-T3062 VanDerWaalsContact C-N 3.32Å; S3060-T3062 PolarHBondContact O-N 3.49Å |
| 3061 | S | 41.1 | Very low | 42.7 | Very low | 30.75 Ų | 30.75 | 81.7 Ų | 81.7 | 22% | 0.215 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -20 | 178.1 | -63.4 | 0 | 0 | 0 | 0 | 114.3 | L3057 V3058 N3059 R3154 | L3057-S3061 PolarHBondContact O-OG 3.31Å; V3058-S3061 WeakPolarHBondContact O-CB 3.22Å; V3058-S3061 PolarHBondContact O-N 2.76Å; V3058-S3061 VanDerWaalsContact O-N 3.15Å; V3058-S3061 PolarHBondContact O-OG 3.09Å; N3059-S3061 VanDerWaalsContact C-N 3.25Å; N3059-S3061 PolarHBondContact O-N 3.19Å; N3059-S3061 VanDerWaalsContact O-N 3.08Å; S3061-R3154 PolarHBondContact OG-NH1 3.3Å |
| 3062 | T | 37.3 | Very low | 41.5 | Very low | 73.25 Ų | 73.25 | 85.6 Ų | 85.6 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -87.7 | -14.5 | -179.2 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | N3059 S3060 I3064 T3065 | N3059-T3062 PolarHBondContact O-N 3.39Å; N3059-T3062 PolarHBondContact O-OG1 3.18Å; N3059-T3062 VanDerWaalsContact O-OG1 3.11Å; S3060-T3062 VanDerWaalsContact C-N 3.32Å; S3060-T3062 PolarHBondContact O-N 3.49Å; T3062-I3064 VanDerWaalsContact C-N 3.3Å; T3062-I3064 PolarHBondContact O-N 2.89Å; T3062-T3065 PolarHBondContact O-OG1 3.22Å; T3062-T3065 VanDerWaalsContact O-OG1 3.1Å |
| 3063 | T | 34.7 | Very low | 40 | Very low | 102.5 Ų | 102.5 | 86.1 Ų | 86.1 | 63% | 0.629 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -16 | -176.1 | -9.3 | 0 | 0 | 0 | 0 | 113.9 | N3059 T3065 H3066 | N3059-T3063 PolarHBondContact O-OG1 3.13Å; T3063-T3065 VanDerWaalsContact C-N 3.34Å; T3063-T3065 PolarHBondContact O-N 2.89Å; T3063-H3066 PolarHBondContact O-N 3.27Å |
| 3064 | I | 35.3 | Very low | 38.8 | Very low | 116 Ų | 116 | 89.9 Ų | 89.9 | 60% | 0.595 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -17.4 | -176.1 | -62.8 | 174.7 | 0 | 0 | 0 | 112.3 | T3062 | T3062-I3064 VanDerWaalsContact C-N 3.3Å; T3062-I3064 PolarHBondContact O-N 2.89Å |
| 3065 | T | 33.4 | Very low | 37.6 | Very low | 74.25 Ų | 74.25 | 92.2 Ų | 92.2 | 46% | 0.456 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -90.1 | -8.8 | -174.8 | 47.6 | 0 | 0 | 0 | 0 | 115.3 | T3062 T3063 T3067 I3151 | T3062-T3065 PolarHBondContact O-OG1 3.22Å; T3062-T3065 VanDerWaalsContact O-OG1 3.1Å; T3063-T3065 VanDerWaalsContact C-N 3.34Å; T3063-T3065 PolarHBondContact O-N 2.89Å; T3065-T3067 VanDerWaalsContact C-N 3.31Å; T3065-T3067 PolarHBondContact O-N 2.92Å; T3065-I3151 HydrophobicContact CG2-CD1 3.5Å; T3065-I3151 HydrophobicContact CG2-CG1 3.86Å |
| 3066 | H | 32.1 | Very low | 36.2 | Very low | 164.5 Ų | 164.5 | 97.5 Ų | 97.5 | 76% | 0.762 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -95.3 | 1.6 | -176.6 | -83.6 | -74.7 | 0 | 0 | 0 | 115.3 | T3063 | T3063-H3066 PolarHBondContact O-N 3.27Š|
| 3067 | T | 30.1 | Very low | 34.9 | Very low | 125 Ų | 125 | 101.1 Ų | 101.1 | 77% | 0.767 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -112.8 | 6.4 | -178.5 | 47.1 | 0 | 0 | 0 | 0 | 114.6 | T3065 | T3065-T3067 VanDerWaalsContact C-N 3.31Å; T3065-T3067 PolarHBondContact O-N 2.92Å |
| 3068 | A | 28.9 | Very low | 33.8 | Very low | 81.75 Ų | 81.75 | 106.9 Ų | 106.9 | 68% | 0.676 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -115.4 | 22.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 3069 | T | 28.2 | Very low | 32.6 | Very low | 117 Ų | 117 | 113.1 Ų | 113.1 | 72% | 0.718 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -140.8 | 73 | -177.6 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 3070 | N | 27.8 | Very low | 31.5 | Very low | 162.5 Ų | 162.5 | 114.9 Ų | 114.9 | 87% | 0.869 | 69% | 0.691 | S | S | * | * | trans | -170.8 | 76.8 | 156.6 | -97.9 | -21.2 | 0 | 0 | 0 | 111.8 | ||||
| 3071 | T | 28.7 | Very low | 30.4 | Very low | 143.25 Ų | 143.25 | 118.6 Ų | 118.6 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | trans | -161.5 | 112.7 | 155.7 | 29.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3072 | T | 30.7 | Very low | 29.6 | Very low | 132.75 Ų | 132.75 | 122 Ų | 122 | 81% | 0.814 | 74% | 0.74 | S | S | * | * | trans | -70.6 | 132.8 | 171.5 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | S3074 | T3072-S3074 PolarHBondContact O-N 3.26Š| ||
| 3073 | V | 29.1 | Very low | 29.1 | Very low | 138.25 Ų | 138.25 | 125.6 Ų | 125.6 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | 15.7 | 120.7 | 127.8 | -176.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 3074 | S | 29.1 | Very low | 28.8 | Very low | 116.25 Ų | 116.25 | 127.5 Ų | 127.5 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 124.4 | 137.1 | 155.4 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | T3072 | T3072-S3074 PolarHBondContact O-N 3.26Š| ||
| 3075 | G | 27.7 | Very low | 28.4 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | 137.1 | 115 | 86.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 3076 | D | 28 | Very low | 28 | Very low | 156.5 Ų | 156.5 | 130.7 Ų | 130.7 | 84% | 0.837 | 79% | 0.79 | S | S | * | * | trans | 61 | 149.3 | 165.3 | -55.2 | -37.6 | 0 | 0 | 0 | 119.7 | ||||
| 3077 | D | 29.8 | Very low | 27.8 | Very low | 142.5 Ų | 142.5 | 129.4 Ų | 129.4 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 72.7 | 120.4 | 153.5 | -69.2 | -29.7 | 0 | 0 | 0 | 122.5 | ||||
| 3078 | N | 28 | Very low | 27.7 | Very low | 147.75 Ų | 147.75 | 126.6 Ų | 126.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 29.3 | 135.2 | 141.6 | -70.3 | -53.6 | 0 | 0 | 0 | 119.4 | ||||
| 3079 | N | 26.8 | Very low | 27.6 | Very low | 158.25 Ų | 158.25 | 128.1 Ų | 128.1 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 86.1 | 108.9 | 144.1 | -128.5 | 0.7 | 0 | 0 | 0 | 119 | ||||
| 3080 | C | 25.8 | Very low | 27.6 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 138 | 116 | 143.3 | -114.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 3081 | C | 25.7 | Very low | 27.5 | Very low | 127.25 Ų | 127.25 | 127.1 Ų | 127.1 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 134.4 | 81.9 | 140.7 | -80.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 3082 | S | 25.4 | Very low | 27.4 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -119.5 | 151.5 | 137.3 | 33.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3083 | N | 25.9 | Very low | 27.2 | Very low | 148.25 Ų | 148.25 | 124.6 Ų | 124.6 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | 89.2 | 117.9 | 174.3 | -53.6 | -34.3 | 0 | 0 | 0 | 117.6 | ||||
| 3084 | V | 27.9 | Very low | 27 | Very low | 141.75 Ų | 141.75 | 123.9 Ų | 123.9 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -176.7 | 125.2 | 141.6 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 3085 | C | 27.2 | Very low | 26.9 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | cis | -144.1 | 142.7 | -4.1 | -75.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3086 | N | 24.8 | Very low | 26.8 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -86.9 | 132.1 | 158.2 | -103.2 | -8.9 | 0 | 0 | 0 | 112.1 | ||||
| 3087 | T | 28.9 | Very low | 26.7 | Very low | 136.75 Ų | 136.75 | 125.4 Ų | 125.4 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -162.5 | 128.9 | 144 | 39.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3088 | G | 27.4 | Very low | 26.5 | Very low | 66 Ų | 66 | 124.7 Ų | 124.7 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | 157.7 | 137.9 | 67.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I3090 | G3088-I3090 PolarHBondContact O-N 3.19Š| |||
| 3089 | S | 26.3 | Very low | 26.5 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 30.7 | 123.8 | 160.4 | 53 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3090 | I | 28.8 | Very low | 26.5 | Very low | 164 Ų | 164 | 121.7 Ų | 121.7 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | -146.8 | 136.1 | 114.5 | -77.4 | 171.8 | 0 | 0 | 0 | 112 | G3088 | G3088-I3090 PolarHBondContact O-N 3.19Š| |||
| 3091 | S | 24.4 | Very low | 26.7 | Very low | 93.5 Ų | 93.5 | 121.8 Ų | 121.8 | 65% | 0.654 | 77% | 0.774 | S | S | * | * | trans | -73.6 | 145.6 | 174.1 | 57.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 3092 | T | 28.3 | Very low | 26.7 | Very low | 128.25 Ų | 128.25 | 122.8 Ų | 122.8 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | trans | 139.9 | 127.7 | 139.2 | 27.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 3093 | S | 25.5 | Very low | 26.9 | Very low | 95.5 Ų | 95.5 | 125.8 Ų | 125.8 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | 71.4 | 120.7 | 132.2 | 57.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 3094 | T | 25.3 | Very low | 26.8 | Very low | 124.25 Ų | 124.25 | 126.8 Ų | 126.8 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 51.8 | 124.5 | 135.9 | 52.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 3095 | T | 27.2 | Very low | 26.8 | Very low | 126.25 Ų | 126.25 | 126.8 Ų | 126.8 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | 166.2 | 151.1 | 103 | 27.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 3096 | N | 26 | Very low | 26.7 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 2.7 | 135.1 | 165.4 | -58.2 | -21 | 0 | 0 | 0 | 117.1 | ||||
| 3097 | A | 25.6 | Very low | 26.9 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | 129.5 | 152.4 | 116.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 3098 | T | 26.2 | Very low | 26.9 | Very low | 127.5 Ų | 127.5 | 125.8 Ų | 125.8 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | 71.6 | 131.6 | 162.6 | 56.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 3099 | T | 28 | Very low | 26.9 | Very low | 133.25 Ų | 133.25 | 129 Ų | 129 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | 77.3 | 122.2 | 143.5 | 52.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 3100 | S | 24.8 | Very low | 27.1 | Very low | 109.5 Ų | 109.5 | 130 Ų | 130 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -70.6 | 156.7 | 153.8 | -49.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 3101 | P | 31.3 | Very low | 27 | Very low | 117.5 Ų | 117.5 | 132 Ų | 132 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -115.6 | 143.7 | 132 | 31.5 | -19.4 | 0 | 0 | 0 | 114 | ||||
| 3102 | N | 25.9 | Very low | 27.2 | Very low | 146.75 Ų | 146.75 | 135.5 Ų | 135.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -58.3 | 146.5 | 156.4 | -60.9 | -35.3 | 0 | 0 | 0 | 113.5 | ||||
| 3103 | I | 28.5 | Very low | 27.2 | Very low | 167.5 Ų | 167.5 | 135.6 Ų | 135.6 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -117.9 | 119.8 | 147.9 | -65.2 | -179 | 0 | 0 | 0 | 107.9 | V3105 | I3103-V3105 HydrophobicContact CG2-CG2 4.31Š| ||
| 3104 | E | 23.8 | Very low | 27.3 | Very low | 167.5 Ų | 167.5 | 135.3 Ų | 135.3 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -83.3 | 142.8 | 177.2 | -67.6 | 178.1 | 129.8 | 0 | 0 | 111.5 | ||||
| 3105 | V | 28.5 | Very low | 27.4 | Very low | 142.25 Ų | 142.25 | 136.7 Ų | 136.7 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | trans | -126.1 | 113.3 | 153.5 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | I3103 A3107 | I3103-V3105 HydrophobicContact CG2-CG2 4.31Å; V3105-A3107 PolarHBondContact O-N 3.43Å | ||
| 3106 | T | 25.8 | Very low | 27.6 | Very low | 121.75 Ų | 121.75 | 137.4 Ų | 137.4 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | trans | -73 | 135.4 | -177.1 | 43.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3107 | A | 28.7 | Very low | 27.7 | Very low | 90.25 Ų | 90.25 | 136.3 Ų | 136.3 | 75% | 0.746 | 81% | 0.807 | S | S | * | * | trans | -129.6 | 132.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V3105 | V3105-A3107 PolarHBondContact O-N 3.43Š| ||
| 3108 | N | 28.9 | Very low | 28 | Very low | 162.5 Ų | 162.5 | 136.9 Ų | 136.9 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -96.4 | 135.8 | 172.4 | -85.7 | -36.6 | 0 | 0 | 0 | 111.2 | ||||
| 3109 | T | 27.4 | Very low | 28.7 | Very low | 134.75 Ų | 134.75 | 134.5 Ų | 134.5 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -110.6 | 129 | 171.1 | -10 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 3110 | T | 29.4 | Very low | 29.2 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -108.1 | 131.4 | 154.7 | 41.6 | 0 | 0 | 0 | 0 | 113 | I3112 | T3110-I3112 PolarHBondContact O-N 3.11Š| ||
| 3111 | K | 26.4 | Very low | 29.8 | Very low | 206.75 Ų | 206.75 | 131 Ų | 131 | 90% | 0.899 | 77% | 0.767 | S | S | * | * | trans | -66.3 | 127.3 | -175.7 | -64.8 | 170.1 | 176.2 | 174.9 | 0 | 112.8 | ||||
| 3112 | I | 29.2 | Very low | 30.3 | Very low | 167 Ų | 167 | 127.8 Ų | 127.8 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | -126.8 | 140.9 | 149.6 | -62.2 | -177.7 | 0 | 0 | 0 | 107.4 | T3110 | T3110-I3112 PolarHBondContact O-N 3.11Š| ||
| 3113 | T | 28.2 | Very low | 31 | Very low | 129.25 Ų | 129.25 | 124.5 Ų | 124.5 | 79% | 0.793 | 73% | 0.732 | S | S | * | * | trans | -76.4 | 152 | -167.5 | 43.8 | 0 | 0 | 0 | 0 | 114.1 | D3115 | T3113-D3115 PolarHBondContact O-N 3.17Š| ||
| 3114 | A | 27.2 | Very low | 31.6 | Very low | 90.75 Ų | 90.75 | 119.2 Ų | 119.2 | 75% | 0.75 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -43.7 | 137.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 3115 | D | 27.4 | Very low | 32.5 | Very low | 153.5 Ų | 153.5 | 113.6 Ų | 113.6 | 82% | 0.821 | 69% | 0.685 | S | S | * | * | trans | 129.9 | 81.6 | 155.5 | -75.5 | -20.5 | 0 | 0 | 0 | 113.4 | T3113 | T3113-D3115 PolarHBondContact O-N 3.17Š| ||
| 3116 | T | 31.6 | Very low | 33 | Very low | 139.75 Ų | 139.75 | 115.3 Ų | 115.3 | 86% | 0.857 | 68% | 0.677 | S | S | * | * | trans | 163.6 | 131 | 153.4 | 33.7 | 0 | 0 | 0 | 0 | 111.8 | P3118 | T3116-P3118 WeakPolarHBondContact O-CD 3Š| ||
| 3117 | T | 29.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 114 Ų | 114 | 82% | 0.816 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 122.5 | 172.8 | 43.6 | 0 | 0 | 0 | 0 | 110.5 | T3119 | T3117-T3119 PolarHBondContact O-N 3.18Š|
| 3118 | P | 31.7 | Very low | 34.2 | Very low | 99.25 Ų | 99.25 | 111.5 Ų | 111.5 | 64% | 0.644 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 125.7 | 177.1 | 29.5 | -31.7 | 0 | 0 | 0 | 110.1 | T3116 S3122 V3123 | T3116-P3118 WeakPolarHBondContact O-CD 3Å; P3118-S3122 WeakPolarHBondContact CB-OG 3.48Å; P3118-V3123 HydrophobicContact CB-CG2 4.03Å; P3118-V3123 HydrophobicContact CG-CG2 4.18Å |
| 3119 | T | 40.2 | Very low | 34.7 | Very low | 77.75 Ų | 77.75 | 111.7 Ų | 111.7 | 48% | 0.477 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 149.2 | 170.8 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | T3117 A3121 S3122 V3123 | T3117-T3119 PolarHBondContact O-N 3.18Å; T3119-A3121 PolarHBondContact O-N 3.27Å; T3119-S3122 PolarHBondContact N-OG 2.91Å; T3119-S3122 PolarHBondContact O-N 3.24Å; T3119-S3122 PolarHBondContact O-OG 3.34Å; T3119-S3122 VanDerWaalsContact O-OG 3.08Å; T3119-S3122 PolarHBondContact OG1-OG 2.97Å; T3119-S3122 VanDerWaalsContact OG1-OG 3.13Å; T3119-V3123 PolarHBondContact O-N 3.46Å |
| 3120 | T | 37.8 | Very low | 35.2 | Very low | 127.75 Ų | 127.75 | 108.3 Ų | 108.3 | 78% | 0.784 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -49.3 | -31 | 177.5 | 40.2 | 0 | 0 | 0 | 0 | 113.8 | S3122 V3123 L3124 | T3120-S3122 VanDerWaalsContact C-N 3.28Å; T3120-S3122 PolarHBondContact O-N 3.1Å; T3120-V3123 PolarHBondContact O-N 3.1Å; T3120-L3124 WeakPolarHBondContact O-CB 3.25Å; T3120-L3124 PolarHBondContact O-N 3.05Å |
| 3121 | A | 38.6 | Very low | 35.6 | Very low | 41.25 Ų | 41.25 | 105.2 Ų | 105.2 | 34% | 0.341 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.8 | -32.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T3119 V3123 L3124 S3125 L3195 | T3119-A3121 PolarHBondContact O-N 3.27Å; A3121-V3123 VanDerWaalsContact C-N 3.32Å; A3121-L3124 PolarHBondContact O-N 3.02Å; A3121-S3125 WeakPolarHBondContact O-CB 3.29Å; A3121-S3125 PolarHBondContact O-N 3.35Å; A3121-S3125 PolarHBondContact O-OG 3.05Å; A3121-S3125 VanDerWaalsContact O-OG 3.14Å; A3121-L3195 HydrophobicContact CB-CD2 3.2Å |
| 3122 | S | 41.3 | Very low | 36 | Very low | 50.75 Ų | 50.75 | 98.5 Ų | 98.5 | 36% | 0.355 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.6 | -36 | 177.2 | 67 | 0 | 0 | 0 | 0 | 111.9 | P3118 T3119 T3120 S3125 Y3126 | P3118-S3122 WeakPolarHBondContact CB-OG 3.48Å; T3119-S3122 PolarHBondContact N-OG 2.91Å; T3119-S3122 PolarHBondContact O-N 3.24Å; T3119-S3122 PolarHBondContact O-OG 3.34Å; T3119-S3122 VanDerWaalsContact O-OG 3.08Å; T3119-S3122 PolarHBondContact OG1-OG 2.97Å; T3119-S3122 VanDerWaalsContact OG1-OG 3.13Å; T3120-S3122 VanDerWaalsContact C-N 3.28Å; T3120-S3122 PolarHBondContact O-N 3.1Å; S3122-S3125 PolarHBondContact O-N 3Å; S3122-S3125 PolarHBondContact O-OG 3.07Å; S3122-S3125 VanDerWaalsContact O-OG 3.07Å; S3122-Y3126 VanDerWaalsContact O-CB 3.25Å; S3122-Y3126 WeakPolarHBondContact O-CB 3.21Å; S3122-Y3126 PolarHBondContact O-N 3.33Å; S3122-Y3126 VanDerWaalsContact O-N 3.15Å |
| 3123 | V | 41.7 | Very low | 36.4 | Very low | 77.75 Ų | 77.75 | 96.6 Ų | 96.6 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.5 | -43.2 | 174 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | P3118 T3119 T3120 A3121 S3125 Y3126 L3127 | P3118-V3123 HydrophobicContact CB-CG2 4.03Å; P3118-V3123 HydrophobicContact CG-CG2 4.18Å; T3119-V3123 PolarHBondContact O-N 3.46Å; T3120-V3123 PolarHBondContact O-N 3.1Å; A3121-V3123 VanDerWaalsContact C-N 3.32Å; V3123-S3125 PolarHBondContact O-N 3.14Å; V3123-Y3126 PolarHBondContact O-N 3.2Å; V3123-L3127 HydrophobicContact CG1-CD1 4Å; V3123-L3127 HydrophobicContact CG1-CG 4.42Å; V3123-L3127 WeakPolarHBondContact O-CB 3.36Å; V3123-L3127 WeakPolarHBondContact O-CG 3.38Å; V3123-L3127 PolarHBondContact O-N 3.16Å |
| 3124 | L | 40.9 | Very low | 36.8 | Very low | 55.75 Ų | 55.75 | 98.7 Ų | 98.7 | 29% | 0.292 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64 | -43.9 | 177.3 | -151.9 | 78.6 | 0 | 0 | 0 | 112 | L3051 I3055 T3120 A3121 Y3126 L3127 L3128 | L3051-L3124 HydrophobicContact CD2-CD1 3.91Å; I3055-L3124 HydrophobicContact CG1-CD2 4.39Å; T3120-L3124 WeakPolarHBondContact O-CB 3.25Å; T3120-L3124 PolarHBondContact O-N 3.05Å; A3121-L3124 PolarHBondContact O-N 3.02Å; L3124-Y3126 VanDerWaalsContact C-N 3.29Å; L3124-Y3126 PolarHBondContact O-N 3.27Å; L3124-L3127 PolarHBondContact O-N 3.25Å; L3124-L3128 HydrophobicContact CD2-CD1 4.18Å; L3124-L3128 HydrophobicContact CG-CD1 4.29Å; L3124-L3128 VanDerWaalsContact O-CB 3.24Å; L3124-L3128 WeakPolarHBondContact O-CB 3.4Å; L3124-L3128 WeakPolarHBondContact O-CD1 3.2Å; L3124-L3128 VanDerWaalsContact O-CG 3.28Å; L3124-L3128 WeakPolarHBondContact O-CG 3.39Å; L3124-L3128 PolarHBondContact O-N 3.08Å |
| 3125 | S | 41.1 | Very low | 37 | Very low | 49.75 Ų | 49.75 | 98.6 Ų | 98.6 | 35% | 0.348 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -30.7 | 176.1 | 91.9 | 0 | 0 | 0 | 0 | 113 | A3121 S3122 V3123 R3129 | A3121-S3125 WeakPolarHBondContact O-CB 3.29Å; A3121-S3125 PolarHBondContact O-N 3.35Å; A3121-S3125 PolarHBondContact O-OG 3.05Å; A3121-S3125 VanDerWaalsContact O-OG 3.14Å; S3122-S3125 PolarHBondContact O-N 3Å; S3122-S3125 PolarHBondContact O-OG 3.07Å; S3122-S3125 VanDerWaalsContact O-OG 3.07Å; V3123-S3125 PolarHBondContact O-N 3.14Å; S3125-R3129 VanDerWaalsContact O-CB 3.3Å; S3125-R3129 WeakPolarHBondContact O-CB 3.41Å; S3125-R3129 VanDerWaalsContact O-CG 3.28Å; S3125-R3129 WeakPolarHBondContact O-CG 3.23Å; S3125-R3129 PolarHBondContact O-N 3.28Å; S3125-R3129 VanDerWaalsContact O-N 3.15Å |
| 3126 | Y | 40 | Very low | 37.1 | Very low | 177.5 Ų | 177.5 | 100.4 Ų | 100.4 | 70% | 0.696 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -73.1 | -44.9 | 175.8 | -168.7 | -91.5 | 0 | 0 | 0 | 111.5 | S3122 V3123 L3124 L3128 R3129 S3130 | S3122-Y3126 VanDerWaalsContact O-CB 3.25Å; S3122-Y3126 WeakPolarHBondContact O-CB 3.21Å; S3122-Y3126 PolarHBondContact O-N 3.33Å; S3122-Y3126 VanDerWaalsContact O-N 3.15Å; V3123-Y3126 PolarHBondContact O-N 3.2Å; L3124-Y3126 VanDerWaalsContact C-N 3.29Å; L3124-Y3126 PolarHBondContact O-N 3.27Å; Y3126-L3128 PolarHBondContact O-N 3.33Å; Y3126-R3129 PolarHBondContact O-N 3.25Å; Y3126-S3130 VanDerWaalsContact O-CB 3.26Å; Y3126-S3130 WeakPolarHBondContact O-CB 3.38Å; Y3126-S3130 PolarHBondContact O-N 3.14Å; Y3126-S3130 VanDerWaalsContact O-N 3.1Å; Y3126-S3130 PolarHBondContact O-OG 3.24Å |
| 3127 | L | 39.2 | Very low | 36.9 | Very low | 95.75 Ų | 95.75 | 98.1 Ų | 98.1 | 50% | 0.501 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 175 | -74.9 | 166.3 | 0 | 0 | 0 | 111.9 | V3123 L3124 R3129 S3130 T3131 | V3123-L3127 HydrophobicContact CG1-CD1 4Å; V3123-L3127 HydrophobicContact CG1-CG 4.42Å; V3123-L3127 WeakPolarHBondContact O-CB 3.36Å; V3123-L3127 WeakPolarHBondContact O-CG 3.38Å; V3123-L3127 PolarHBondContact O-N 3.16Å; L3124-L3127 PolarHBondContact O-N 3.25Å; L3127-R3129 VanDerWaalsContact C-N 3.34Å; L3127-R3129 PolarHBondContact O-N 3.4Å; L3127-S3130 WeakPolarHBondContact CA-OG 3.41Å; L3127-S3130 WeakPolarHBondContact O-CB 3.49Å; L3127-S3130 PolarHBondContact O-N 3.29Å; L3127-S3130 VanDerWaalsContact O-N 3.16Å; L3127-S3130 PolarHBondContact O-OG 3.02Å; L3127-T3131 PolarHBondContact O-N 2.92Å; L3127-T3131 VanDerWaalsContact O-N 3.11Å; L3127-T3131 PolarHBondContact O-OG1 3.16Å; L3127-T3131 VanDerWaalsContact O-OG1 3.09Å |
| 3128 | L | 40.3 | Very low | 36.9 | Very low | 38 Ų | 38 | 97.7 Ų | 97.7 | 20% | 0.199 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 176.4 | -72.3 | 166.1 | 0 | 0 | 0 | 112.4 | L3124 Y3126 S3130 T3131 L3132 I3155 T3159 I3162 I3166 | L3124-L3128 HydrophobicContact CD2-CD1 4.18Å; L3124-L3128 HydrophobicContact CG-CD1 4.29Å; L3124-L3128 VanDerWaalsContact O-CB 3.24Å; L3124-L3128 WeakPolarHBondContact O-CB 3.4Å; L3124-L3128 WeakPolarHBondContact O-CD1 3.2Å; L3124-L3128 VanDerWaalsContact O-CG 3.28Å; L3124-L3128 WeakPolarHBondContact O-CG 3.39Å; L3124-L3128 PolarHBondContact O-N 3.08Å; Y3126-L3128 PolarHBondContact O-N 3.33Å; L3128-S3130 VanDerWaalsContact C-N 3.35Å; L3128-T3131 WeakPolarHBondContact CA-OG1 3.27Å; L3128-T3131 PolarHBondContact O-OG1 3.21Å; L3128-L3132 WeakPolarHBondContact O-CB 3.42Å; L3128-L3132 VanDerWaalsContact O-CD1 3.31Å; L3128-L3132 WeakPolarHBondContact O-CD1 3.28Å; L3128-L3132 VanDerWaalsContact O-CG 3.27Å; L3128-L3132 WeakPolarHBondContact O-CG 3.32Å; L3128-L3132 PolarHBondContact O-N 3.12Å; L3128-I3155 HydrophobicContact CD2-CG2 4.1Å; L3128-T3159 HydrophobicContact CD2-CG2 3.72Å; L3128-I3162 HydrophobicContact CD1-CD1 3.77Å; L3128-I3162 HydrophobicContact CD1-CG2 4.14Å; L3128-I3166 HydrophobicContact CB-CD1 4.4Å; L3128-I3166 HydrophobicContact CB-CG1 3.98Å; L3128-I3166 HydrophobicContact CD2-CD1 4.29Å |
| 3129 | R | 40 | Very low | 36.8 | Very low | 165.25 Ų | 165.25 | 98.2 Ų | 98.2 | 62% | 0.624 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.5 | -29.9 | 174.7 | -86.4 | -176.6 | 173.4 | -164.8 | -0.8 | 113.6 | S3125 Y3126 L3127 L3132 N3133 T3159 D3163 | S3125-R3129 VanDerWaalsContact O-CB 3.3Å; S3125-R3129 WeakPolarHBondContact O-CB 3.41Å; S3125-R3129 VanDerWaalsContact O-CG 3.28Å; S3125-R3129 WeakPolarHBondContact O-CG 3.23Å; S3125-R3129 PolarHBondContact O-N 3.28Å; S3125-R3129 VanDerWaalsContact O-N 3.15Å; Y3126-R3129 PolarHBondContact O-N 3.25Å; L3127-R3129 VanDerWaalsContact C-N 3.34Å; L3127-R3129 PolarHBondContact O-N 3.4Å; R3129-L3132 PolarHBondContact O-N 3.01Å; R3129-N3133 PolarHBondContact O-N 2.95Å; R3129-N3133 VanDerWaalsContact O-N 3.11Å; R3129-N3133 PolarHBondContact O-ND2 3.1Å; R3129-T3159 HydrophobicContact CG-CG2 4.36Å; R3129-D3163 IonicContact CZ-OD1 2.87Å; R3129-D3163 IonicContact CZ-OD2 3.99Å; R3129-D3163 IonicContact NE-OD2 3.31Å; R3129-D3163 PolarHBondContact NE-OD2 3.35Å; R3129-D3163 IonicContact NH2-OD1 2.77Å; R3129-D3163 PolarHBondContact NH2-OD1 3Å; R3129-D3163 IonicContact NH2-OD2 3.48Å; R3129-D3163 PolarHBondContact NH2-OD2 2.97Å |
| 3130 | S | 38.3 | Very low | 36.3 | Very low | 64.25 Ų | 64.25 | 102.7 Ų | 102.7 | 45% | 0.449 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.4 | -42.2 | 174.9 | 121 | 0 | 0 | 0 | 0 | 111.3 | Y3126 L3127 L3128 L3132 N3133 | Y3126-S3130 VanDerWaalsContact O-CB 3.26Å; Y3126-S3130 WeakPolarHBondContact O-CB 3.38Å; Y3126-S3130 PolarHBondContact O-N 3.14Å; Y3126-S3130 VanDerWaalsContact O-N 3.1Å; Y3126-S3130 PolarHBondContact O-OG 3.24Å; L3127-S3130 WeakPolarHBondContact CA-OG 3.41Å; L3127-S3130 WeakPolarHBondContact O-CB 3.49Å; L3127-S3130 PolarHBondContact O-N 3.29Å; L3127-S3130 VanDerWaalsContact O-N 3.16Å; L3127-S3130 PolarHBondContact O-OG 3.02Å; L3128-S3130 VanDerWaalsContact C-N 3.35Å; S3130-L3132 VanDerWaalsContact C-N 3.3Å; S3130-L3132 PolarHBondContact O-N 3.09Å; S3130-N3133 PolarHBondContact O-N 2.96Å; S3130-N3133 VanDerWaalsContact O-N 3.15Å |
| 3131 | T | 37.2 | Very low | 35.9 | Very low | 69 Ų | 69 | 103 Ų | 103 | 42% | 0.423 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.7 | -26.5 | -180 | 47.8 | 0 | 0 | 0 | 0 | 113.8 | L3127 L3128 N3133 I3155 | L3127-T3131 PolarHBondContact O-N 2.92Å; L3127-T3131 VanDerWaalsContact O-N 3.11Å; L3127-T3131 PolarHBondContact O-OG1 3.16Å; L3127-T3131 VanDerWaalsContact O-OG1 3.09Å; L3128-T3131 WeakPolarHBondContact CA-OG1 3.27Å; L3128-T3131 PolarHBondContact O-OG1 3.21Å; T3131-N3133 VanDerWaalsContact C-N 3.29Å; T3131-N3133 PolarHBondContact O-N 2.84Å; T3131-I3155 HydrophobicContact CG2-CG2 4.44Å |
| 3132 | L | 35.4 | Very low | 35.4 | Very low | 65.25 Ų | 65.25 | 108.6 Ų | 108.6 | 34% | 0.342 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -82.7 | -14.5 | 179 | -80.8 | 162.8 | 0 | 0 | 0 | 114.8 | L3128 R3129 S3130 E3134 T3135 I3155 F3156 T3159 I3162 I3166 | L3128-L3132 WeakPolarHBondContact O-CB 3.42Å; L3128-L3132 VanDerWaalsContact O-CD1 3.31Å; L3128-L3132 WeakPolarHBondContact O-CD1 3.28Å; L3128-L3132 VanDerWaalsContact O-CG 3.27Å; L3128-L3132 WeakPolarHBondContact O-CG 3.32Å; L3128-L3132 PolarHBondContact O-N 3.12Å; R3129-L3132 PolarHBondContact O-N 3.01Å; S3130-L3132 VanDerWaalsContact C-N 3.3Å; S3130-L3132 PolarHBondContact O-N 3.09Å; L3132-E3134 VanDerWaalsContact C-N 3.26Å; L3132-E3134 PolarHBondContact O-N 3.23Å; L3132-T3135 PolarHBondContact O-N 2.83Å; L3132-T3135 VanDerWaalsContact O-N 3.1Å; L3132-T3135 PolarHBondContact O-OG1 3.33Å; L3132-I3155 HydrophobicContact CD1-CG2 4.25Å; L3132-I3155 HydrophobicContact CD2-CG2 4.34Å; L3132-I3155 HydrophobicContact CG-CG2 4.04Å; L3132-F3156 HydrophobicContact CD2-CB 4.49Å; L3132-F3156 HydrophobicContact CD2-CD2 4.3Å; L3132-T3159 HydrophobicContact CD1-CG2 4.14Å; L3132-T3159 HydrophobicContact CD2-CG2 4.32Å; L3132-T3159 HydrophobicContact CG-CG2 4.26Å; L3132-I3162 HydrophobicContact CD1-CG2 4.45Å; L3132-I3166 HydrophobicContact CD1-CB 3.85Å; L3132-I3166 HydrophobicContact CD1-CD1 3.4Å; L3132-I3166 VanDerWaalsContact CD1-CD1 3.4Å; L3132-I3166 HydrophobicContact CD1-CG1 3.43Å; L3132-I3166 VanDerWaalsContact CD1-CG1 3.43Å; L3132-I3166 HydrophobicContact CD1-CG2 4Å |
| 3133 | N | 36.9 | Very low | 34.8 | Very low | 127.25 Ų | 127.25 | 113.9 Ų | 113.9 | 68% | 0.68 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -12.9 | -178.1 | -87.8 | -30.9 | 0 | 0 | 0 | 114.3 | R3129 S3130 T3131 | R3129-N3133 PolarHBondContact O-N 2.95Å; R3129-N3133 VanDerWaalsContact O-N 3.11Å; R3129-N3133 PolarHBondContact O-ND2 3.1Å; S3130-N3133 PolarHBondContact O-N 2.96Å; S3130-N3133 VanDerWaalsContact O-N 3.15Å; T3131-N3133 VanDerWaalsContact C-N 3.29Å; T3131-N3133 PolarHBondContact O-N 2.84Å |
| 3134 | E | 35.4 | Very low | 34.3 | Very low | 174.25 Ų | 174.25 | 113.3 Ų | 113.3 | 81% | 0.814 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -16.3 | 179.7 | -64.8 | -170.1 | 156 | 0 | 0 | 113.9 | L3132 K3136 | L3132-E3134 VanDerWaalsContact C-N 3.26Å; L3132-E3134 PolarHBondContact O-N 3.23Å; E3134-K3136 PolarHBondContact O-N 2.92Å |
| 3135 | T | 32.4 | Very low | 34.3 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 53% | 0.534 | 60% | 0.602 | S | S | . | * | trans | -103.1 | 69.1 | -176.9 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | L3132 | L3132-T3135 PolarHBondContact O-N 2.83Å; L3132-T3135 VanDerWaalsContact O-N 3.1Å; L3132-T3135 PolarHBondContact O-OG1 3.33Å | ||
| 3136 | K | 28.4 | Very low | 34.3 | Very low | 192.75 Ų | 192.75 | 117.3 Ų | 117.3 | 84% | 0.838 | 61% | 0.613 | S | S | * | * | trans | -101.2 | 69.1 | 173.1 | -78.3 | -175.6 | 177.4 | 174.8 | 0 | 112.9 | E3134 | E3134-K3136 PolarHBondContact O-N 2.92Š| ||
| 3137 | S | 28.8 | Very low | 34.5 | Very low | 90.25 Ų | 90.25 | 113.8 Ų | 113.8 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | trans | 177.1 | 130.1 | 165.5 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | V3139 | S3137-V3139 VanDerWaalsContact C-N 3.25Å; S3137-V3139 PolarHBondContact O-N 3.31Å | ||
| 3138 | P | 29.3 | Very low | 34.7 | Very low | 125.25 Ų | 125.25 | 113.4 Ų | 113.4 | 81% | 0.813 | 61% | 0.605 | S | S | * | * | trans | -87.4 | 85.1 | 173.7 | 35.1 | -31.8 | 0 | 0 | 0 | 110.8 | ||||
| 3139 | V | 28.6 | Very low | 35 | Very low | 109.5 Ų | 109.5 | 114.2 Ų | 114.2 | 66% | 0.664 | 62% | 0.617 | S | S | * | * | trans | -110.3 | 118.1 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | S3137 I3141 | S3137-V3139 VanDerWaalsContact C-N 3.25Å; S3137-V3139 PolarHBondContact O-N 3.31Å; V3139-I3141 PolarHBondContact O-N 2.86Å | ||
| 3140 | F | 30.4 | Very low | 35.3 | Very low | 171.75 Ų | 171.75 | 108.3 Ų | 108.3 | 75% | 0.753 | 60% | 0.596 | S | S | * | * | trans | -77.7 | 110.7 | 177.5 | -84.1 | -99.4 | 0 | 0 | 0 | 111.7 | E3142 | F3140-E3142 VanDerWaalsContact C-N 3.27Å; F3140-E3142 HydrophobicContact CB-CG 4.45Å; F3140-E3142 HydrophobicContact CD1-CG 4.28Å; F3140-E3142 PolarHBondContact O-N 3.41Å | ||
| 3141 | I | 30.7 | Very low | 35.9 | Very low | 134.5 Ų | 134.5 | 107.1 Ų | 107.1 | 69% | 0.69 | 58% | 0.584 | S | S | * | * | trans | -111.7 | 87.3 | 166.4 | -54.5 | 177.4 | 0 | 0 | 0 | 108.1 | V3139 N3143 | V3139-I3141 PolarHBondContact O-N 2.86Å; I3141-N3143 PolarHBondContact O-N 3.05Å | ||
| 3142 | E | 27.9 | Very low | 36.3 | Very low | 158.25 Ų | 158.25 | 107.8 Ų | 107.8 | 74% | 0.739 | 59% | 0.588 | S | S | * | * | trans | -87.9 | 124.3 | 164.6 | -69.5 | -177.4 | 155.3 | 0 | 0 | 109.5 | F3140 R3588 | F3140-E3142 VanDerWaalsContact C-N 3.27Å; F3140-E3142 HydrophobicContact CB-CG 4.45Å; F3140-E3142 HydrophobicContact CD1-CG 4.28Å; F3140-E3142 PolarHBondContact O-N 3.41Å; E3142-R3588 IonicContact OE1-NH1 2.8Å; E3142-R3588 PolarHBondContact OE1-NH1 3.43Å; E3142-R3588 IonicContact OE1-NH2 3.92Å | ||
| 3143 | N | 28.8 | Very low | 36.8 | Very low | 163.75 Ų | 163.75 | 106.3 Ų | 106.3 | 88% | 0.876 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 97 | 53.7 | 177.3 | -55.8 | -39.1 | 0 | 0 | 0 | 117.2 | I3141 | I3141-N3143 PolarHBondContact O-N 3.05Š|
| 3144 | S | 31 | Very low | 37.5 | Very low | 64 Ų | 64 | 102.1 Ų | 102.1 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -127.8 | 147.8 | 161.8 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | N3148 | S3144-N3148 WeakPolarHBondContact OG-CB 3.22Š|
| 3145 | T | 40 | Very low | 38.2 | Very low | 93.25 Ų | 93.25 | 95.7 Ų | 95.7 | 57% | 0.572 | 53% | 0.531 | S | S | * | . | trans | -55.3 | 144.7 | 179.8 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | D3147 N3148 A3149 | T3145-D3147 PolarHBondContact O-N 3.11Å; T3145-D3147 VanDerWaalsContact O-N 3.12Å; T3145-N3148 PolarHBondContact O-N 3.32Å; T3145-A3149 PolarHBondContact O-N 3.15Å | ||
| 3146 | V | 42.1 | Very low | 38.9 | Very low | 97.25 Ų | 97.25 | 97.4 Ų | 97.4 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -51.3 | -31.9 | -173 | 176.7 | 0 | 0 | 0 | 0 | 113.4 | N3148 A3149 Q3150 L3217 | V3146-N3148 PolarHBondContact O-N 2.96Å; V3146-A3149 PolarHBondContact O-N 2.66Å; V3146-Q3150 WeakPolarHBondContact O-CG 3.31Å; V3146-Q3150 PolarHBondContact O-N 3.15Å; V3146-Q3150 PolarHBondContact O-NE2 2.92Å; V3146-L3217 HydrophobicContact CG1-CB 4.47Å |
| 3147 | D | 42.9 | Very low | 39.8 | Very low | 104.25 Ų | 104.25 | 88.7 Ų | 88.7 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.3 | -39.9 | 178.2 | -64.8 | -40.6 | 0 | 0 | 0 | 113.5 | T3145 A3149 Q3150 I3151 | T3145-D3147 PolarHBondContact O-N 3.11Å; T3145-D3147 VanDerWaalsContact O-N 3.12Å; D3147-A3149 VanDerWaalsContact C-N 3.33Å; D3147-A3149 PolarHBondContact O-N 3.17Å; D3147-Q3150 WeakPolarHBondContact O-CB 3.2Å; D3147-Q3150 PolarHBondContact O-N 3.22Å; D3147-Q3150 VanDerWaalsContact O-N 3.13Å; D3147-Q3150 PolarHBondContact OD1-NE2 2.92Å; D3147-I3151 HydrophobicContact CB-CD1 4.39Å; D3147-I3151 VanDerWaalsContact O-CD1 3.28Å; D3147-I3151 WeakPolarHBondContact O-CD1 3.38Å; D3147-I3151 VanDerWaalsContact O-CG1 3.27Å; D3147-I3151 WeakPolarHBondContact O-CG1 3.33Å; D3147-I3151 PolarHBondContact O-N 3.14Å; D3147-I3151 VanDerWaalsContact O-N 3.1Å |
| 3148 | N | 44.8 | Very low | 40.9 | Very low | 87 Ų | 87 | 84.7 Ų | 84.7 | 47% | 0.465 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | -178.3 | -78.9 | -14.7 | 0 | 0 | 0 | 112 | S3144 T3145 V3146 Q3150 I3151 T3152 | S3144-N3148 WeakPolarHBondContact OG-CB 3.22Å; T3145-N3148 PolarHBondContact O-N 3.32Å; V3146-N3148 PolarHBondContact O-N 2.96Å; N3148-Q3150 VanDerWaalsContact C-N 3.32Å; N3148-Q3150 PolarHBondContact O-N 3.2Å; N3148-I3151 PolarHBondContact O-N 3.33Å; N3148-T3152 WeakPolarHBondContact O-CB 3.28Å; N3148-T3152 PolarHBondContact O-N 3.11Å; N3148-T3152 PolarHBondContact O-OG1 3.05Å |
| 3149 | A | 45.3 | Very low | 41.8 | Very low | 54 Ų | 54 | 80.1 Ų | 80.1 | 45% | 0.446 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T3145 V3146 D3147 T3152 A3153 | T3145-A3149 PolarHBondContact O-N 3.15Å; V3146-A3149 PolarHBondContact O-N 2.66Å; D3147-A3149 VanDerWaalsContact C-N 3.33Å; D3147-A3149 PolarHBondContact O-N 3.17Å; A3149-T3152 PolarHBondContact O-N 3.33Å; A3149-A3153 VanDerWaalsContact O-CB 3.28Å; A3149-A3153 WeakPolarHBondContact O-CB 3.33Å; A3149-A3153 PolarHBondContact O-N 3.36Å |
| 3150 | Q | 47.5 | Very low | 42.8 | Very low | 42.25 Ų | 42.25 | 77.2 Ų | 77.2 | 20% | 0.197 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.4 | -71.4 | -178.5 | 43.2 | 0 | 0 | 112.5 | V3146 D3147 N3148 A3153 R3154 T3216 L3217 | V3146-Q3150 WeakPolarHBondContact O-CG 3.31Å; V3146-Q3150 PolarHBondContact O-N 3.15Å; V3146-Q3150 PolarHBondContact O-NE2 2.92Å; D3147-Q3150 WeakPolarHBondContact O-CB 3.2Å; D3147-Q3150 PolarHBondContact O-N 3.22Å; D3147-Q3150 VanDerWaalsContact O-N 3.13Å; D3147-Q3150 PolarHBondContact OD1-NE2 2.92Å; N3148-Q3150 VanDerWaalsContact C-N 3.32Å; N3148-Q3150 PolarHBondContact O-N 3.2Å; Q3150-A3153 PolarHBondContact O-N 3.17Å; Q3150-R3154 WeakPolarHBondContact O-CB 3.38Å; Q3150-R3154 VanDerWaalsContact O-CG 3.23Å; Q3150-R3154 WeakPolarHBondContact O-CG 3.28Å; Q3150-R3154 PolarHBondContact O-N 2.96Å; Q3150-R3154 VanDerWaalsContact O-N 3.12Å; Q3150-T3216 PolarHBondContact NE2-OG1 3.5Å; Q3150-T3216 PolarHBondContact OE1-OG1 3.21Å; Q3150-L3217 HydrophobicContact CG-CD1 4.05Å |
| 3151 | I | 49.8 | Very low | 43.9 | Very low | 39.25 Ų | 39.25 | 70.6 Ų | 70.6 | 20% | 0.201 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | 178.6 | -66.7 | 159 | 0 | 0 | 0 | 110.1 | T3065 D3147 N3148 A3153 R3154 I3155 | T3065-I3151 HydrophobicContact CG2-CD1 3.5Å; T3065-I3151 HydrophobicContact CG2-CG1 3.86Å; D3147-I3151 HydrophobicContact CB-CD1 4.39Å; D3147-I3151 VanDerWaalsContact O-CD1 3.28Å; D3147-I3151 WeakPolarHBondContact O-CD1 3.38Å; D3147-I3151 VanDerWaalsContact O-CG1 3.27Å; D3147-I3151 WeakPolarHBondContact O-CG1 3.33Å; D3147-I3151 PolarHBondContact O-N 3.14Å; D3147-I3151 VanDerWaalsContact O-N 3.1Å; N3148-I3151 PolarHBondContact O-N 3.33Å; I3151-A3153 PolarHBondContact O-N 3.02Å; I3151-R3154 PolarHBondContact O-N 3.17Å; I3151-I3155 HydrophobicContact CG2-CD1 3.71Å; I3151-I3155 HydrophobicContact CG2-CG1 4.42Å; I3151-I3155 WeakPolarHBondContact O-CB 3.48Å; I3151-I3155 WeakPolarHBondContact O-CD1 3.48Å; I3151-I3155 WeakPolarHBondContact O-CG1 3.28Å; I3151-I3155 PolarHBondContact O-N 2.99Å |
| 3152 | T | 46.3 | Very low | 45 | Very low | 82.5 Ų | 82.5 | 65.5 Ų | 65.5 | 51% | 0.506 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 178.6 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | N3148 A3149 R3154 I3155 F3156 | N3148-T3152 WeakPolarHBondContact O-CB 3.28Å; N3148-T3152 PolarHBondContact O-N 3.11Å; N3148-T3152 PolarHBondContact O-OG1 3.05Å; A3149-T3152 PolarHBondContact O-N 3.33Å; T3152-R3154 VanDerWaalsContact C-N 3.34Å; T3152-R3154 PolarHBondContact O-N 2.94Å; T3152-I3155 PolarHBondContact O-N 3.22Å; T3152-F3156 VanDerWaalsContact O-CB 3.24Å; T3152-F3156 WeakPolarHBondContact O-CB 3.38Å; T3152-F3156 PolarHBondContact O-N 3.27Å |
| 3153 | A | 46.4 | Very low | 46 | Very low | 34.75 Ų | 34.75 | 61 Ų | 61 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A3149 Q3150 I3151 F3156 S3157 F3212 | A3149-A3153 VanDerWaalsContact O-CB 3.28Å; A3149-A3153 WeakPolarHBondContact O-CB 3.33Å; A3149-A3153 PolarHBondContact O-N 3.36Å; Q3150-A3153 PolarHBondContact O-N 3.17Å; I3151-A3153 PolarHBondContact O-N 3.02Å; A3153-F3156 PolarHBondContact O-N 3.34Å; A3153-S3157 WeakPolarHBondContact O-CB 3.33Å; A3153-S3157 PolarHBondContact O-N 3.05Å; A3153-F3212 HydrophobicContact CB-CD1 3.6Å; A3153-F3212 HydrophobicContact CB-CD2 4.33Å; A3153-F3212 HydrophobicContact CB-CE1 3.75Å; A3153-F3212 HydrophobicContact CB-CE2 4.46Å; A3153-F3212 HydrophobicContact CB-CG 3.91Å; A3153-F3212 HydrophobicContact CB-CZ 4.18Å |
| 3154 | R | 50.1 | Low | 47 | Very low | 37.75 Ų | 37.75 | 59.5 Ų | 59.5 | 14% | 0.142 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 176.1 | -72.1 | 175.6 | -164.2 | 178 | 11 | 111.9 | F3017 C3019 S3061 Q3150 I3151 T3152 S3157 A3158 F3212 | F3017-R3154 HydrophobicContact CB-CB 4.2Å; F3017-R3154 HydrophobicContact CD1-CB 3.9Å; F3017-R3154 HydrophobicContact CE1-CB 4.44Å; F3017-R3154 HydrophobicContact CG-CB 4.31Å; F3017-R3154 VanDerWaalsContact O-CD 3.29Å; F3017-R3154 WeakPolarHBondContact O-CD 3.47Å; F3017-R3154 PolarHBondContact O-NH1 3.08Å; C3019-R3154 PolarHBondContact O-NH1 3.41Å; S3061-R3154 PolarHBondContact OG-NH1 3.3Å; Q3150-R3154 WeakPolarHBondContact O-CB 3.38Å; Q3150-R3154 VanDerWaalsContact O-CG 3.23Å; Q3150-R3154 WeakPolarHBondContact O-CG 3.28Å; Q3150-R3154 PolarHBondContact O-N 2.96Å; Q3150-R3154 VanDerWaalsContact O-N 3.12Å; I3151-R3154 PolarHBondContact O-N 3.17Å; T3152-R3154 VanDerWaalsContact C-N 3.34Å; T3152-R3154 PolarHBondContact O-N 2.94Å; R3154-S3157 WeakPolarHBondContact O-CB 3.35Å; R3154-S3157 PolarHBondContact O-N 3.13Å; R3154-A3158 WeakPolarHBondContact O-CB 3.44Å; R3154-A3158 PolarHBondContact O-N 3.19Å; R3154-F3212 HydrophobicContact CG-CD1 4.06Å; R3154-F3212 HydrophobicContact CG-CE1 3.63Å; R3154-F3212 HydrophobicContact CG-CZ 4.03Å |
| 3155 | I | 50.6 | Low | 47.9 | Very low | 40.75 Ų | 40.75 | 58.1 Ų | 58.1 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 176.3 | -69.2 | 168.4 | 0 | 0 | 0 | 110 | F3017 L3128 T3131 L3132 I3151 T3152 S3157 A3158 T3159 | F3017-I3155 HydrophobicContact CD1-CG1 4.3Å; L3128-I3155 HydrophobicContact CD2-CG2 4.1Å; T3131-I3155 HydrophobicContact CG2-CG2 4.44Å; L3132-I3155 HydrophobicContact CD1-CG2 4.25Å; L3132-I3155 HydrophobicContact CD2-CG2 4.34Å; L3132-I3155 HydrophobicContact CG-CG2 4.04Å; I3151-I3155 HydrophobicContact CG2-CD1 3.71Å; I3151-I3155 HydrophobicContact CG2-CG1 4.42Å; I3151-I3155 WeakPolarHBondContact O-CB 3.48Å; I3151-I3155 WeakPolarHBondContact O-CD1 3.48Å; I3151-I3155 WeakPolarHBondContact O-CG1 3.28Å; I3151-I3155 PolarHBondContact O-N 2.99Å; T3152-I3155 PolarHBondContact O-N 3.22Å; I3155-S3157 VanDerWaalsContact C-N 3.32Å; I3155-S3157 PolarHBondContact O-N 3.17Å; I3155-A3158 WeakPolarHBondContact O-CA 3.3Å; I3155-A3158 WeakPolarHBondContact O-CB 3.41Å; I3155-A3158 PolarHBondContact O-N 3.15Å; I3155-A3158 VanDerWaalsContact O-N 3.09Å; I3155-T3159 VanDerWaalsContact O-CB 3.3Å; I3155-T3159 WeakPolarHBondContact O-CB 3.17Å; I3155-T3159 PolarHBondContact O-N 3.04Å; I3155-T3159 PolarHBondContact O-OG1 3.19Å; I3155-T3159 VanDerWaalsContact O-OG1 3.07Å |
| 3156 | F | 48 | Very low | 48.4 | Very low | 121.75 Ų | 121.75 | 56.3 Ų | 56.3 | 53% | 0.534 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 177.8 | -174.6 | -98.4 | 0 | 0 | 0 | 112.1 | L3132 T3152 A3153 A3158 T3159 C3160 | L3132-F3156 HydrophobicContact CD2-CB 4.49Å; L3132-F3156 HydrophobicContact CD2-CD2 4.3Å; T3152-F3156 VanDerWaalsContact O-CB 3.24Å; T3152-F3156 WeakPolarHBondContact O-CB 3.38Å; T3152-F3156 PolarHBondContact O-N 3.27Å; A3153-F3156 PolarHBondContact O-N 3.34Å; F3156-A3158 VanDerWaalsContact C-N 3.31Å; F3156-A3158 PolarHBondContact O-N 3.15Å; F3156-T3159 PolarHBondContact O-N 3.32Å; F3156-C3160 WeakPolarHBondContact O-CB 3.35Å; F3156-C3160 PolarHBondContact O-N 3.13Å; F3156-C3160 PolarHBondContact O-SG 3.25Å; F3156-C3160 VanDerWaalsContact O-SG 3.38Å |
| 3157 | S | 47.1 | Very low | 48.4 | Very low | 10.75 Ų | 10.75 | 56.6 Ų | 56.6 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 175.7 | -177.1 | 0 | 0 | 0 | 0 | 112.7 | A3153 R3154 I3155 T3159 C3160 F3161 H3208 H3211 | A3153-S3157 WeakPolarHBondContact O-CB 3.33Å; A3153-S3157 PolarHBondContact O-N 3.05Å; R3154-S3157 WeakPolarHBondContact O-CB 3.35Å; R3154-S3157 PolarHBondContact O-N 3.13Å; I3155-S3157 VanDerWaalsContact C-N 3.32Å; I3155-S3157 PolarHBondContact O-N 3.17Å; S3157-T3159 VanDerWaalsContact C-N 3.32Å; S3157-T3159 PolarHBondContact O-N 3.01Å; S3157-C3160 PolarHBondContact O-N 3.15Å; S3157-F3161 WeakPolarHBondContact O-CB 3.32Å; S3157-F3161 PolarHBondContact O-N 3.2Å; S3157-F3161 VanDerWaalsContact O-N 3.13Å; S3157-H3208 WeakPolarHBondContact OG-CB 3.46Å; S3157-H3208 PolarHBondContact OG-CD2 3.26Å; S3157-H3208 VanDerWaalsContact OG-CD2 3.28Å; S3157-H3208 PolarHBondContact OG-CE1 3.09Å; S3157-H3208 PolarHBondContact OG-ND1 3.25Å; S3157-H3211 VanDerWaalsContact OG-CB 3.27Å; S3157-H3211 WeakPolarHBondContact OG-CB 3.44Å; S3157-H3211 PolarHBondContact OG-CD2 2.95Å; S3157-H3211 PolarHBondContact OG-NE2 2.97Å |
| 3158 | A | 50.7 | Low | 48.3 | Very low | 6 Ų | 6 | 56.1 Ų | 56.1 | 5% | 0.05 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F3017 V3058 R3154 I3155 F3156 C3160 F3161 I3162 | F3017-A3158 HydrophobicContact CE1-CB 4.18Å; F3017-A3158 HydrophobicContact CE2-CB 4.29Å; F3017-A3158 HydrophobicContact CZ-CB 3.45Å; F3017-A3158 VanDerWaalsContact CZ-CB 3.45Å; V3058-A3158 HydrophobicContact CG1-CB 4.18Å; V3058-A3158 HydrophobicContact CG2-CB 3.74Å; R3154-A3158 WeakPolarHBondContact O-CB 3.44Å; R3154-A3158 PolarHBondContact O-N 3.19Å; I3155-A3158 WeakPolarHBondContact O-CA 3.3Å; I3155-A3158 WeakPolarHBondContact O-CB 3.41Å; I3155-A3158 PolarHBondContact O-N 3.15Å; I3155-A3158 VanDerWaalsContact O-N 3.09Å; F3156-A3158 VanDerWaalsContact C-N 3.31Å; F3156-A3158 PolarHBondContact O-N 3.15Å; A3158-C3160 PolarHBondContact O-N 3.06Å; A3158-F3161 PolarHBondContact O-N 3.02Å; A3158-I3162 VanDerWaalsContact O-CB 3.3Å; A3158-I3162 WeakPolarHBondContact O-CB 3.28Å; A3158-I3162 WeakPolarHBondContact O-CD1 3.27Å; A3158-I3162 VanDerWaalsContact O-CG1 3.27Å; A3158-I3162 WeakPolarHBondContact O-CG1 3.41Å; A3158-I3162 PolarHBondContact O-N 3.27Å |
| 3159 | T | 50 | Low | 47.8 | Very low | 29.5 Ų | 29.5 | 57.7 Ų | 57.7 | 18% | 0.181 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 177.1 | -47.7 | 0 | 0 | 0 | 0 | 111 | V3058 L3128 R3129 L3132 I3155 F3156 S3157 F3161 I3162 D3163 | V3058-T3159 HydrophobicContact CG1-CG2 4.06Å; V3058-T3159 WeakPolarHBondContact CG1-OG1 3.48Å; L3128-T3159 HydrophobicContact CD2-CG2 3.72Å; R3129-T3159 HydrophobicContact CG-CG2 4.36Å; L3132-T3159 HydrophobicContact CD1-CG2 4.14Å; L3132-T3159 HydrophobicContact CD2-CG2 4.32Å; L3132-T3159 HydrophobicContact CG-CG2 4.26Å; I3155-T3159 VanDerWaalsContact O-CB 3.3Å; I3155-T3159 WeakPolarHBondContact O-CB 3.17Å; I3155-T3159 PolarHBondContact O-N 3.04Å; I3155-T3159 PolarHBondContact O-OG1 3.19Å; I3155-T3159 VanDerWaalsContact O-OG1 3.07Å; F3156-T3159 PolarHBondContact O-N 3.32Å; S3157-T3159 VanDerWaalsContact C-N 3.32Å; S3157-T3159 PolarHBondContact O-N 3.01Å; T3159-F3161 VanDerWaalsContact C-N 3.34Å; T3159-F3161 PolarHBondContact O-N 2.96Å; T3159-I3162 PolarHBondContact O-N 2.84Å; T3159-D3163 WeakPolarHBondContact O-CB 3.3Å; T3159-D3163 PolarHBondContact O-N 3.19Å |
| 3160 | C | 49.1 | Very low | 47.3 | Very low | 48.75 Ų | 48.75 | 62.5 Ų | 62.5 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | 176.6 | -73.4 | 0 | 0 | 0 | 0 | 113.2 | F3156 S3157 A3158 R3164 | F3156-C3160 WeakPolarHBondContact O-CB 3.35Å; F3156-C3160 PolarHBondContact O-N 3.13Å; F3156-C3160 PolarHBondContact O-SG 3.25Å; F3156-C3160 VanDerWaalsContact O-SG 3.38Å; S3157-C3160 PolarHBondContact O-N 3.15Å; A3158-C3160 PolarHBondContact O-N 3.06Å; C3160-R3164 VanDerWaalsContact O-CB 3.25Å; C3160-R3164 WeakPolarHBondContact O-CB 3.31Å; C3160-R3164 VanDerWaalsContact O-CG 3.26Å; C3160-R3164 WeakPolarHBondContact O-CG 3.42Å; C3160-R3164 PolarHBondContact O-N 3.17Å; C3160-R3164 VanDerWaalsContact O-N 3.16Å |
| 3161 | F | 52.6 | Low | 46.5 | Very low | 32.5 Ų | 32.5 | 70.3 Ų | 70.3 | 14% | 0.143 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -50.8 | 172.8 | 176.5 | -91.8 | 0 | 0 | 0 | 110.5 | F3054 S3157 A3158 T3159 D3163 R3164 F3165 C3201 Q3204 | F3054-F3161 AromaticContact CD1-CD1 3.77Å; F3054-F3161 HydrophobicContact CD1-CD1 3.77Å; F3054-F3161 AromaticContact CD1-CE1 3.57Å; F3054-F3161 HydrophobicContact CD1-CE1 3.57Å; F3054-F3161 HydrophobicContact CD1-CZ 4.26Å; F3054-F3161 HydrophobicContact CD2-CD1 4.15Å; F3054-F3161 AromaticContact CD2-CE1 3.77Å; F3054-F3161 HydrophobicContact CD2-CE1 3.77Å; F3054-F3161 HydrophobicContact CD2-CE2 4.23Å; F3054-F3161 AromaticContact CD2-CZ 3.63Å; F3054-F3161 HydrophobicContact CD2-CZ 3.63Å; F3054-F3161 HydrophobicContact CE1-CB 4.31Å; F3054-F3161 AromaticContact CE1-CD1 3.27Å; F3054-F3161 HydrophobicContact CE1-CD1 3.27Å; F3054-F3161 VanDerWaalsContact CE1-CD1 3.48Å; F3054-F3161 HydrophobicContact CE1-CD2 4.12Å; F3054-F3161 AromaticContact CE1-CE1 3.49Å; F3054-F3161 HydrophobicContact CE1-CE1 3.49Å; F3054-F3161 VanDerWaalsContact CE1-CE1 3.46Å; F3054-F3161 HydrophobicContact CE1-CE2 4.13Å; F3054-F3161 AromaticContact CE1-CG 3.74Å; F3054-F3161 HydrophobicContact CE1-CG 3.74Å; F3054-F3161 AromaticContact CE1-CZ 3.85Å; F3054-F3161 HydrophobicContact CE1-CZ 4.1Å; F3054-F3161 AromaticContact CE2-CD1 3.66Å; F3054-F3161 HydrophobicContact CE2-CD1 4.05Å; F3054-F3161 AromaticContact CE2-CD2 3.88Å; F3054-F3161 HydrophobicContact CE2-CD2 3.98Å; F3054-F3161 AromaticContact CE2-CE1 3.7Å; F3054-F3161 HydrophobicContact CE2-CE1 3.7Å; F3054-F3161 AromaticContact CE2-CE2 3.59Å; F3054-F3161 HydrophobicContact CE2-CE2 3.59Å; F3054-F3161 VanDerWaalsContact CE2-CE2 3.42Å; F3054-F3161 AromaticContact CE2-CG 3.82Å; F3054-F3161 HydrophobicContact CE2-CG 3.82Å; F3054-F3161 AromaticContact CE2-CZ 3.44Å; F3054-F3161 HydrophobicContact CE2-CZ 3.44Å; F3054-F3161 HydrophobicContact CG-CD1 4.15Å; F3054-F3161 AromaticContact CG-CE1 3.72Å; F3054-F3161 HydrophobicContact CG-CE1 3.72Å; F3054-F3161 AromaticContact CG-CZ 3.95Å; F3054-F3161 HydrophobicContact CG-CZ 4.05Å; F3054-F3161 HydrophobicContact CZ-CB 3.78Å; F3054-F3161 AromaticContact CZ-CD1 3.44Å; F3054-F3161 HydrophobicContact CZ-CD1 3.44Å; F3054-F3161 AromaticContact CZ-CD2 3.66Å; F3054-F3161 HydrophobicContact CZ-CD2 3.66Å; F3054-F3161 AromaticContact CZ-CE1 3.57Å; F3054-F3161 HydrophobicContact CZ-CE1 3.57Å; F3054-F3161 VanDerWaalsContact CZ-CE1 3.47Å; F3054-F3161 AromaticContact CZ-CE2 3.4Å; F3054-F3161 HydrophobicContact CZ-CE2 3.74Å; F3054-F3161 VanDerWaalsContact CZ-CE2 3.4Å; F3054-F3161 AromaticContact CZ-CG 3.49Å; F3054-F3161 HydrophobicContact CZ-CG 3.49Å; F3054-F3161 AromaticContact CZ-CZ 3.71Å; F3054-F3161 HydrophobicContact CZ-CZ 3.71Å; F3054-F3161 VanDerWaalsContact CZ-CZ 3.46Å; S3157-F3161 WeakPolarHBondContact O-CB 3.32Å; S3157-F3161 PolarHBondContact O-N 3.2Å; S3157-F3161 VanDerWaalsContact O-N 3.13Å; A3158-F3161 PolarHBondContact O-N 3.02Å; T3159-F3161 VanDerWaalsContact C-N 3.34Å; T3159-F3161 PolarHBondContact O-N 2.96Å; F3161-D3163 VanDerWaalsContact C-N 3.33Å; F3161-D3163 PolarHBondContact O-N 3Å; F3161-R3164 PolarHBondContact O-N 3.2Å; F3161-R3164 VanDerWaalsContact O-N 3.09Å; F3161-F3165 HydrophobicContact CD1-CB 4.38Å; F3161-F3165 AromaticContact CD1-CD2 3.68Å; F3161-F3165 HydrophobicContact CD1-CD2 3.68Å; F3161-F3165 AromaticContact CD1-CE2 3.95Å; F3161-F3165 HydrophobicContact CD1-CE2 3.95Å; F3161-F3165 HydrophobicContact CD2-CD2 4.38Å; F3161-F3165 AromaticContact CD2-CE2 3.98Å; F3161-F3165 HydrophobicContact CD2-CE2 3.98Å; F3161-F3165 HydrophobicContact CE1-CB 4.31Å; F3161-F3165 AromaticContact CE1-CD2 3.52Å; F3161-F3165 HydrophobicContact CE1-CD2 3.88Å; F3161-F3165 AromaticContact CE1-CE2 3.48Å; F3161-F3165 HydrophobicContact CE1-CE2 3.48Å; F3161-F3165 VanDerWaalsContact CE1-CE2 3.48Å; F3161-F3165 HydrophobicContact CE1-CG 4.37Å; F3161-F3165 HydrophobicContact CE1-CZ 4.34Å; F3161-F3165 HydrophobicContact CE2-CD2 4.26Å; F3161-F3165 AromaticContact CE2-CE2 3.53Å; F3161-F3165 HydrophobicContact CE2-CE2 3.53Å; F3161-F3165 HydrophobicContact CE2-CZ 4.37Å; F3161-F3165 HydrophobicContact CG-CD2 4.12Å; F3161-F3165 HydrophobicContact CG-CE2 4.18Å; F3161-F3165 AromaticContact CZ-CD2 3.84Å; F3161-F3165 HydrophobicContact CZ-CD2 4.18Å; F3161-F3165 AromaticContact CZ-CE2 3.25Å; F3161-F3165 HydrophobicContact CZ-CE2 3.25Å; F3161-F3165 AromaticContact CZ-CZ 3.92Å; F3161-F3165 HydrophobicContact CZ-CZ 3.92Å; F3161-F3165 WeakPolarHBondContact O-CA 3.5Å; F3161-F3165 WeakPolarHBondContact O-CB 3.39Å; F3161-F3165 WeakPolarHBondContact O-CD2 3.47Å; F3161-F3165 PolarHBondContact O-N 3.14Å; F3161-C3201 HydrophobicContact CE2-CB 3.78Å; F3161-C3201 HydrophobicContact CZ-CB 4.38Å; F3161-Q3204 HydrophobicContact CE2-CB 4.05Å |
| 3162 | I | 53.2 | Low | 45.4 | Very low | 27.25 Ų | 27.25 | 78.8 Ų | 78.8 | 14% | 0.14 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.7 | -45 | 179.9 | -70.6 | 168.6 | 0 | 0 | 0 | 111 | F3054 I3055 V3058 L3128 L3132 A3158 T3159 R3164 F3165 I3166 | F3054-I3162 HydrophobicContact CB-CD1 4.03Å; F3054-I3162 HydrophobicContact CD1-CD1 4.42Å; I3055-I3162 HydrophobicContact CD1-CG2 4.5Å; I3055-I3162 HydrophobicContact CG1-CG2 3.53Å; V3058-I3162 HydrophobicContact CB-CD1 4.21Å; V3058-I3162 HydrophobicContact CG1-CD1 3.73Å; V3058-I3162 HydrophobicContact CG2-CD1 3.53Å; L3128-I3162 HydrophobicContact CD1-CD1 3.77Å; L3128-I3162 HydrophobicContact CD1-CG2 4.14Å; L3132-I3162 HydrophobicContact CD1-CG2 4.45Å; A3158-I3162 VanDerWaalsContact O-CB 3.3Å; A3158-I3162 WeakPolarHBondContact O-CB 3.28Å; A3158-I3162 WeakPolarHBondContact O-CD1 3.27Å; A3158-I3162 VanDerWaalsContact O-CG1 3.27Å; A3158-I3162 WeakPolarHBondContact O-CG1 3.41Å; A3158-I3162 PolarHBondContact O-N 3.27Å; T3159-I3162 PolarHBondContact O-N 2.84Å; I3162-R3164 VanDerWaalsContact C-N 3.32Å; I3162-R3164 PolarHBondContact O-N 3.22Å; I3162-F3165 CarbonylContact O-C 3.55Å; I3162-F3165 WeakPolarHBondContact O-CA 3.33Å; I3162-F3165 WeakPolarHBondContact O-CB 3.35Å; I3162-F3165 PolarHBondContact O-N 3.25Å; I3162-I3166 HydrophobicContact CG2-CD1 3.6Å; I3162-I3166 HydrophobicContact CG2-CG1 4.28Å; I3162-I3166 VanDerWaalsContact O-CB 3.3Å; I3162-I3166 WeakPolarHBondContact O-CB 3.42Å; I3162-I3166 WeakPolarHBondContact O-CD1 3.39Å; I3162-I3166 VanDerWaalsContact O-CG1 3.28Å; I3162-I3166 WeakPolarHBondContact O-CG1 3.33Å; I3162-I3166 PolarHBondContact O-N 3.18Å; I3162-I3166 VanDerWaalsContact O-N 3.08Å |
| 3163 | D | 50 | Low | 44.6 | Very low | 63.5 Ų | 63.5 | 80.5 Ų | 80.5 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 178.5 | -150.3 | 25.3 | 0 | 0 | 0 | 112 | R3129 T3159 F3161 F3165 I3166 N3167 | R3129-D3163 IonicContact CZ-OD1 2.87Å; R3129-D3163 IonicContact CZ-OD2 3.99Å; R3129-D3163 IonicContact NE-OD2 3.31Å; R3129-D3163 PolarHBondContact NE-OD2 3.35Å; R3129-D3163 IonicContact NH2-OD1 2.77Å; R3129-D3163 PolarHBondContact NH2-OD1 3Å; R3129-D3163 IonicContact NH2-OD2 3.48Å; R3129-D3163 PolarHBondContact NH2-OD2 2.97Å; T3159-D3163 WeakPolarHBondContact O-CB 3.3Å; T3159-D3163 PolarHBondContact O-N 3.19Å; F3161-D3163 VanDerWaalsContact C-N 3.33Å; F3161-D3163 PolarHBondContact O-N 3Å; D3163-F3165 VanDerWaalsContact C-N 3.3Å; D3163-F3165 PolarHBondContact O-N 3.24Å; D3163-I3166 PolarHBondContact O-N 3.4Å; D3163-N3167 VanDerWaalsContact CG-ND2 3.34Å; D3163-N3167 VanDerWaalsContact O-CB 3.32Å; D3163-N3167 WeakPolarHBondContact O-CB 3.37Å; D3163-N3167 PolarHBondContact O-N 3.19Å; D3163-N3167 VanDerWaalsContact O-N 3.11Å; D3163-N3167 PolarHBondContact O-ND2 3.17Å; D3163-N3167 PolarHBondContact OD1-ND2 3.14Å |
| 3164 | R | 49.9 | Very low | 43.7 | Very low | 132.75 Ų | 132.75 | 84.3 Ų | 84.3 | 50% | 0.501 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 171.5 | -82.4 | -177.9 | 170.7 | 176 | -1.2 | 113 | C3160 F3161 I3162 N3167 L3168 Q3204 L3327 H3328 | C3160-R3164 VanDerWaalsContact O-CB 3.25Å; C3160-R3164 WeakPolarHBondContact O-CB 3.31Å; C3160-R3164 VanDerWaalsContact O-CG 3.26Å; C3160-R3164 WeakPolarHBondContact O-CG 3.42Å; C3160-R3164 PolarHBondContact O-N 3.17Å; C3160-R3164 VanDerWaalsContact O-N 3.16Å; F3161-R3164 PolarHBondContact O-N 3.2Å; F3161-R3164 VanDerWaalsContact O-N 3.09Å; I3162-R3164 VanDerWaalsContact C-N 3.32Å; I3162-R3164 PolarHBondContact O-N 3.22Å; R3164-N3167 PolarHBondContact O-N 3.38Å; R3164-L3168 WeakPolarHBondContact O-CD1 3.13Å; R3164-L3168 WeakPolarHBondContact O-CG 3.43Å; R3164-L3168 PolarHBondContact O-N 3.35Å; R3164-Q3204 VanDerWaalsContact NH1-CD 3.31Å; R3164-L3327 PolarHBondContact NH1-O 3.09Å; R3164-H3328 PolarHBondContact NH2-CD2 3.1Å; R3164-H3328 PolarHBondContact NH2-NE2 2.89Å |
| 3165 | F | 49.8 | Very low | 42.6 | Very low | 34.75 Ų | 34.75 | 87.8 Ų | 87.8 | 15% | 0.152 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 178.3 | -150.8 | -87.1 | 0 | 0 | 0 | 111.7 | L3051 F3161 I3162 D3163 N3167 L3168 Q3194 I3196 C3201 | L3051-F3165 HydrophobicContact CD1-CD1 3.95Å; L3051-F3165 HydrophobicContact CD1-CE1 3.65Å; L3051-F3165 HydrophobicContact CD1-CE2 4.45Å; L3051-F3165 HydrophobicContact CD1-CZ 3.63Å; L3051-F3165 HydrophobicContact CD2-CD1 3.59Å; L3051-F3165 HydrophobicContact CD2-CE1 4.18Å; L3051-F3165 HydrophobicContact CD2-CG 4.35Å; L3051-F3165 HydrophobicContact CG-CD1 4.28Å; L3051-F3165 HydrophobicContact CG-CE1 4.46Å; F3161-F3165 HydrophobicContact CD1-CB 4.38Å; F3161-F3165 AromaticContact CD1-CD2 3.68Å; F3161-F3165 HydrophobicContact CD1-CD2 3.68Å; F3161-F3165 AromaticContact CD1-CE2 3.95Å; F3161-F3165 HydrophobicContact CD1-CE2 3.95Å; F3161-F3165 HydrophobicContact CD2-CD2 4.38Å; F3161-F3165 AromaticContact CD2-CE2 3.98Å; F3161-F3165 HydrophobicContact CD2-CE2 3.98Å; F3161-F3165 HydrophobicContact CE1-CB 4.31Å; F3161-F3165 AromaticContact CE1-CD2 3.52Å; F3161-F3165 HydrophobicContact CE1-CD2 3.88Å; F3161-F3165 AromaticContact CE1-CE2 3.48Å; F3161-F3165 HydrophobicContact CE1-CE2 3.48Å; F3161-F3165 VanDerWaalsContact CE1-CE2 3.48Å; F3161-F3165 HydrophobicContact CE1-CG 4.37Å; F3161-F3165 HydrophobicContact CE1-CZ 4.34Å; F3161-F3165 HydrophobicContact CE2-CD2 4.26Å; F3161-F3165 AromaticContact CE2-CE2 3.53Å; F3161-F3165 HydrophobicContact CE2-CE2 3.53Å; F3161-F3165 HydrophobicContact CE2-CZ 4.37Å; F3161-F3165 HydrophobicContact CG-CD2 4.12Å; F3161-F3165 HydrophobicContact CG-CE2 4.18Å; F3161-F3165 AromaticContact CZ-CD2 3.84Å; F3161-F3165 HydrophobicContact CZ-CD2 4.18Å; F3161-F3165 AromaticContact CZ-CE2 3.25Å; F3161-F3165 HydrophobicContact CZ-CE2 3.25Å; F3161-F3165 AromaticContact CZ-CZ 3.92Å; F3161-F3165 HydrophobicContact CZ-CZ 3.92Å; F3161-F3165 WeakPolarHBondContact O-CA 3.5Å; F3161-F3165 WeakPolarHBondContact O-CB 3.39Å; F3161-F3165 WeakPolarHBondContact O-CD2 3.47Å; F3161-F3165 PolarHBondContact O-N 3.14Å; I3162-F3165 CarbonylContact O-C 3.55Å; I3162-F3165 WeakPolarHBondContact O-CA 3.33Å; I3162-F3165 WeakPolarHBondContact O-CB 3.35Å; I3162-F3165 PolarHBondContact O-N 3.25Å; D3163-F3165 VanDerWaalsContact C-N 3.3Å; D3163-F3165 PolarHBondContact O-N 3.24Å; F3165-N3167 VanDerWaalsContact C-N 3.29Å; F3165-N3167 PolarHBondContact O-N 3.41Å; F3165-L3168 HydrophobicContact CD2-CD1 4.37Å; F3165-Q3194 VanDerWaalsContact CE1-OE1 3.22Å; F3165-Q3194 PolarHBondContact O-OE1 2.98Å; F3165-I3196 HydrophobicContact CD1-CD1 4.3Å; F3165-I3196 HydrophobicContact CD1-CG1 4.33Å; F3165-I3196 HydrophobicContact CE1-CD1 4.45Å; F3165-I3196 HydrophobicContact CE1-CG1 4.37Å; F3165-I3196 HydrophobicContact CE1-CG2 4.09Å; F3165-I3196 HydrophobicContact CE2-CD1 3.81Å; F3165-I3196 HydrophobicContact CE2-CG1 3.53Å; F3165-I3196 HydrophobicContact CE2-CG2 4.26Å; F3165-I3196 HydrophobicContact CZ-CB 4.36Å; F3165-I3196 HydrophobicContact CZ-CD1 3.66Å; F3165-I3196 HydrophobicContact CZ-CG1 3.43Å; F3165-I3196 VanDerWaalsContact CZ-CG1 3.43Å; F3165-I3196 HydrophobicContact CZ-CG2 3.85Å; F3165-C3201 VanDerWaalsContact CZ-SG 3.6Å |
| 3166 | I | 49.4 | Very low | 41.5 | Very low | 54.25 Ų | 54.25 | 91.2 Ų | 91.2 | 28% | 0.278 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.8 | -36 | 178.4 | -71.4 | 149.6 | 0 | 0 | 0 | 112.2 | L3051 I3055 L3128 L3132 I3162 D3163 L3168 L3191 Q3194 | L3051-I3166 HydrophobicContact CD2-CG1 4.41Å; I3055-I3166 HydrophobicContact CD1-CD1 3.39Å; I3055-I3166 HydrophobicContact CD1-CG1 3.94Å; I3055-I3166 HydrophobicContact CG1-CD1 3.69Å; L3128-I3166 HydrophobicContact CB-CD1 4.4Å; L3128-I3166 HydrophobicContact CB-CG1 3.98Å; L3128-I3166 HydrophobicContact CD2-CD1 4.29Å; L3132-I3166 HydrophobicContact CD1-CB 3.85Å; L3132-I3166 HydrophobicContact CD1-CD1 3.4Å; L3132-I3166 VanDerWaalsContact CD1-CD1 3.4Å; L3132-I3166 HydrophobicContact CD1-CG1 3.43Å; L3132-I3166 VanDerWaalsContact CD1-CG1 3.43Å; L3132-I3166 HydrophobicContact CD1-CG2 4Å; I3162-I3166 HydrophobicContact CG2-CD1 3.6Å; I3162-I3166 HydrophobicContact CG2-CG1 4.28Å; I3162-I3166 VanDerWaalsContact O-CB 3.3Å; I3162-I3166 WeakPolarHBondContact O-CB 3.42Å; I3162-I3166 WeakPolarHBondContact O-CD1 3.39Å; I3162-I3166 VanDerWaalsContact O-CG1 3.28Å; I3162-I3166 WeakPolarHBondContact O-CG1 3.33Å; I3162-I3166 PolarHBondContact O-N 3.18Å; I3162-I3166 VanDerWaalsContact O-N 3.08Å; D3163-I3166 PolarHBondContact O-N 3.4Å; I3166-L3168 PolarHBondContact O-N 2.81Å; I3166-L3191 HydrophobicContact CG1-CD1 4.42Å; I3166-Q3194 PolarHBondContact O-NE2 3.2Å |
| 3167 | N | 43.1 | Very low | 40.6 | Very low | 103.5 Ų | 103.5 | 93 Ų | 93 | 55% | 0.553 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 14.2 | -171.4 | -68.1 | -58.9 | 0 | 0 | 0 | 115.1 | D3163 R3164 F3165 P3169 | D3163-N3167 VanDerWaalsContact CG-ND2 3.34Å; D3163-N3167 VanDerWaalsContact O-CB 3.32Å; D3163-N3167 WeakPolarHBondContact O-CB 3.37Å; D3163-N3167 PolarHBondContact O-N 3.19Å; D3163-N3167 VanDerWaalsContact O-N 3.11Å; D3163-N3167 PolarHBondContact O-ND2 3.17Å; D3163-N3167 PolarHBondContact OD1-ND2 3.14Å; R3164-N3167 PolarHBondContact O-N 3.38Å; F3165-N3167 VanDerWaalsContact C-N 3.29Å; F3165-N3167 PolarHBondContact O-N 3.41Å; N3167-P3169 WeakPolarHBondContact O-CD 3.39Å |
| 3168 | L | 41.6 | Very low | 39.7 | Very low | 95.25 Ų | 95.25 | 100.7 Ų | 100.7 | 50% | 0.499 | 53% | 0.534 | S | S | . | . | trans | -73.1 | 127.1 | 178.2 | -89.9 | 159 | 0 | 0 | 0 | 112 | R3164 F3165 I3166 Q3170 I3196 | R3164-L3168 WeakPolarHBondContact O-CD1 3.13Å; R3164-L3168 WeakPolarHBondContact O-CG 3.43Å; R3164-L3168 PolarHBondContact O-N 3.35Å; F3165-L3168 HydrophobicContact CD2-CD1 4.37Å; I3166-L3168 PolarHBondContact O-N 2.81Å; L3168-Q3170 PolarHBondContact O-N 2.92Å; L3168-I3196 HydrophobicContact CD1-CD1 3.57Å; L3168-I3196 HydrophobicContact CD1-CG1 3.68Å | ||
| 3169 | P | 34.1 | Very low | 38.7 | Very low | 119.25 Ų | 119.25 | 106.7 Ų | 106.7 | 77% | 0.774 | 57% | 0.565 | S | S | * | * | trans | -74.6 | 112 | -176.1 | 7.3 | -2 | 0 | 0 | 0 | 112.1 | N3167 K3171 | N3167-P3169 WeakPolarHBondContact O-CD 3.39Å; P3169-K3171 PolarHBondContact O-N 3.01Å | ||
| 3170 | Q | 34 | Very low | 37.8 | Very low | 155 Ų | 155 | 112.5 Ų | 112.5 | 72% | 0.724 | 60% | 0.595 | S | S | * | * | trans | -68 | 120.4 | 171.2 | -68 | -173.1 | -6 | 0 | 0 | 111.2 | L3168 R3172 | L3168-Q3170 PolarHBondContact O-N 2.92Å; Q3170-R3172 PolarHBondContact O-N 3.4Å; Q3170-R3172 VanDerWaalsContact O-N 3.12Å | ||
| 3171 | K | 29.9 | Very low | 36.8 | Very low | 206 Ų | 206 | 114.6 Ų | 114.6 | 90% | 0.896 | 61% | 0.61 | S | S | * | * | trans | -93.4 | 99.3 | 165.8 | -103.6 | -176.5 | 178.1 | 179 | 0 | 109.8 | P3169 S3173 | P3169-K3171 PolarHBondContact O-N 3.01Å; K3171-S3173 PolarHBondContact O-N 3.29Å | ||
| 3172 | R | 28.2 | Very low | 35.7 | Very low | 218.5 Ų | 218.5 | 120.1 Ų | 120.1 | 83% | 0.825 | 64% | 0.642 | S | S | * | * | trans | -89.5 | 130.1 | 164.5 | -75.2 | -175 | 175.1 | 175.1 | 0.8 | 109.4 | E3048 Q3170 S3174 | E3048-R3172 IonicContact OE1-CZ 2.69Å; E3048-R3172 IonicContact OE1-NH1 3.15Å; E3048-R3172 IonicContact OE1-NH2 2.7Å; E3048-R3172 PolarHBondContact OE1-NH2 2.94Å; Q3170-R3172 PolarHBondContact O-N 3.4Å; Q3170-R3172 VanDerWaalsContact O-N 3.12Å; R3172-S3174 PolarHBondContact O-N 3.05Å | ||
| 3173 | S | 28.5 | Very low | 34.7 | Very low | 117.5 Ų | 117.5 | 126.9 Ų | 126.9 | 82% | 0.822 | 68% | 0.676 | S | S | * | * | trans | -74.7 | 114.8 | 168.8 | 47.7 | 0 | 0 | 0 | 0 | 111.9 | K3171 S3175 | K3171-S3173 PolarHBondContact O-N 3.29Å; S3173-S3175 PolarHBondContact O-N 3.06Å | ||
| 3174 | S | 27.4 | Very low | 33.6 | Very low | 115.5 Ų | 115.5 | 128.6 Ų | 128.6 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | trans | -114.7 | 104.6 | 171.2 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | R3172 | R3172-S3174 PolarHBondContact O-N 3.05Š| ||
| 3175 | S | 26.5 | Very low | 32.7 | Very low | 111.75 Ų | 111.75 | 129.7 Ų | 129.7 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | trans | 176.9 | 135.4 | 163 | 46 | 0 | 0 | 0 | 0 | 112.9 | S3173 | S3173-S3175 PolarHBondContact O-N 3.06Š| ||
| 3176 | S | 28.3 | Very low | 31.7 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | -166.2 | 134.5 | 161.2 | 44 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3177 | L | 28.1 | Very low | 30.7 | Very low | 159.25 Ų | 159.25 | 139.7 Ų | 139.7 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -17.2 | 123.7 | 158.1 | -70 | 144.5 | 0 | 0 | 0 | 116.4 | ||||
| 3178 | Q | 29.7 | Very low | 29.9 | Very low | 171.5 Ų | 171.5 | 142 Ų | 142 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | 131.1 | 139.4 | 114.4 | -92.3 | -179.7 | -17.7 | 0 | 0 | 115.8 | |||||
| 3179 | N | 28.5 | Very low | 29.3 | Very low | 132.75 Ų | 132.75 | 144.7 Ų | 144.7 | 71% | 0.71 | 79% | 0.79 | S | S | * | * | trans | 77.8 | 131.6 | 154.6 | -66.7 | 2.2 | 0 | 0 | 0 | 118.7 | ||||
| 3180 | D | 31.1 | Very low | 29.1 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | 133 | 132.8 | 126.2 | -75 | -19.7 | 0 | 0 | 0 | 116.5 | |||||
| 3181 | S | 29.6 | Very low | 29.1 | Very low | 93.5 Ų | 93.5 | 145.2 Ų | 145.2 | 65% | 0.654 | 79% | 0.791 | S | S | * | * | trans | -98.1 | 148 | 178.1 | 60.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3182 | N | 28.6 | Very low | 29.2 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 93.2 | 121.8 | 156.7 | -58 | -35.5 | 0 | 0 | 0 | 117.8 | ||||
| 3183 | I | 32 | Very low | 29.6 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | 145.9 | 109.3 | 154.7 | -63.6 | 174.4 | 0 | 0 | 0 | 111.1 | ||||
| 3184 | S | 28 | Very low | 30.4 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -73.9 | 139.4 | 165.8 | 51.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3185 | D | 29.9 | Very low | 31.5 | Very low | 155.25 Ų | 155.25 | 136 Ų | 136 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | 166.9 | 114.6 | 136.3 | -92.5 | -33.3 | 0 | 0 | 0 | 114.4 | ||||
| 3186 | S | 28.2 | Very low | 33 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | trans | -128.8 | 127.3 | 170.5 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3187 | K | 28.7 | Very low | 34.8 | Very low | 197.25 Ų | 197.25 | 129.2 Ų | 129.2 | 86% | 0.858 | 70% | 0.697 | S | S | * | * | trans | 155.7 | 74.1 | 167.9 | -73.1 | 175.9 | -179 | 175.7 | 0 | 114.6 | ||||
| 3188 | N | 27.7 | Very low | 36.5 | Very low | 152.5 Ų | 152.5 | 123 Ų | 123 | 82% | 0.816 | 67% | 0.666 | S | S | * | * | trans | -166.8 | 115.1 | 153.4 | -87.2 | -22.8 | 0 | 0 | 0 | 110.3 | ||||
| 3189 | N | 27.3 | Very low | 38.3 | Very low | 150.25 Ų | 150.25 | 115.4 Ų | 115.4 | 80% | 0.803 | 63% | 0.634 | S | S | * | * | trans | 144 | 78.4 | 165.4 | -78.5 | -21.3 | 0 | 0 | 0 | 114.3 | ||||
| 3190 | N | 31.4 | Very low | 40.3 | Very low | 148.5 Ų | 148.5 | 111.9 Ų | 111.9 | 79% | 0.794 | 61% | 0.614 | S | S | * | * | trans | -145.7 | 36.2 | 172.9 | -103.8 | -15.2 | 0 | 0 | 0 | 113.7 | C3192 N3193 | N3190-C3192 VanDerWaalsContact C-N 3.29Å; N3190-N3193 HydrophobicContact CB-CB 4.42Å; N3190-N3193 PolarHBondContact O-N 3.04Å; N3190-N3193 PolarHBondContact OD1-ND2 3.17Å | ||
| 3191 | L | 34.2 | Very low | 42.3 | Very low | 138 Ų | 138 | 105.2 Ų | 105.2 | 72% | 0.723 | 58% | 0.578 | S | S | * | * | trans | -105 | 5.2 | 178.7 | -147.2 | 80.6 | 0 | 0 | 0 | 113.4 | L3051 I3166 N3193 | L3051-L3191 HydrophobicContact CD2-CD2 4.43Å; I3166-L3191 HydrophobicContact CG1-CD1 4.42Å; L3191-N3193 VanDerWaalsContact C-N 3.27Å; L3191-N3193 PolarHBondContact O-N 2.89Å | ||
| 3192 | C | 32.1 | Very low | 44.6 | Very low | 99.5 Ų | 99.5 | 101.4 Ų | 101.4 | 67% | 0.672 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -107.6 | 42 | 176.7 | -91.9 | 0 | 0 | 0 | 0 | 112.3 | E3048 N3190 | E3048-C3192 HydrophobicContact CG-CB 4.18Å; E3048-C3192 WeakPolarHBondContact OE1-CB 3.4Å; E3048-C3192 PolarHBondContact OE1-SG 3.02Å; N3190-C3192 VanDerWaalsContact C-N 3.29Å |
| 3193 | N | 35.5 | Very low | 47 | Very low | 119 Ų | 119 | 94.3 Ų | 94.3 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | trans | -141.6 | 36.3 | 179.4 | -73.2 | -21.7 | 0 | 0 | 0 | 114.4 | Q3046 N3190 L3191 L3195 | Q3046-N3193 PolarHBondContact NE2-OD1 3.19Å; N3190-N3193 HydrophobicContact CB-CB 4.42Å; N3190-N3193 PolarHBondContact O-N 3.04Å; N3190-N3193 PolarHBondContact OD1-ND2 3.17Å; L3191-N3193 VanDerWaalsContact C-N 3.27Å; L3191-N3193 PolarHBondContact O-N 2.89Å; N3193-L3195 PolarHBondContact O-N 3.31Å; N3193-L3195 VanDerWaalsContact O-N 3.16Å | ||
| 3194 | Q | 45 | Very low | 49.1 | Very low | 126.25 Ų | 126.25 | 87.3 Ų | 87.3 | 59% | 0.59 | 48% | 0.476 | S | S | * | . | trans | -88.2 | 110.6 | 169.3 | -74.4 | -172.8 | -29.5 | 0 | 0 | 110.4 | C3047 F3165 I3166 | C3047-Q3194 PolarHBondContact N-O 2.71Å; F3165-Q3194 VanDerWaalsContact CE1-OE1 3.22Å; F3165-Q3194 PolarHBondContact O-OE1 2.98Å; I3166-Q3194 PolarHBondContact O-NE2 3.2Å | ||
| 3195 | L | 51.5 | Low | 51.3 | Low | 118.25 Ų | 118.25 | 83.8 Ų | 83.8 | 62% | 0.619 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 132.6 | 171.1 | -69.8 | 136.6 | 0 | 0 | 0 | 109.3 | S3044 V3045 Q3046 A3121 N3193 N3197 | S3044-L3195 VanDerWaalsContact CB-C 3.47Å; S3044-L3195 WeakPolarHBondContact CB-O 3.41Å; V3045-L3195 CarbonylContact O-C 3.53Å; V3045-L3195 WeakPolarHBondContact O-CA 3.34Å; Q3046-L3195 HydrophobicContact CB-CD2 4.48Å; Q3046-L3195 HydrophobicContact CG-CD2 3.62Å; A3121-L3195 HydrophobicContact CB-CD2 3.2Å; N3193-L3195 PolarHBondContact O-N 3.31Å; N3193-L3195 VanDerWaalsContact O-N 3.16Å; L3195-N3197 PolarHBondContact O-N 3.09Å |
| 3196 | I | 58 | Low | 53.7 | Low | 44.25 Ų | 44.25 | 76.5 Ų | 76.5 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 134.2 | 178.4 | -53.4 | 168.3 | 0 | 0 | 0 | 109.9 | S3044 V3045 C3047 I3050 L3051 F3165 L3168 P3198 C3201 | S3044-I3196 CarbonylContact C-O 3.59Å; S3044-I3196 WeakPolarHBondContact CA-O 3.37Å; V3045-I3196 PolarHBondContact N-O 3.19Å; V3045-I3196 PolarHBondContact O-N 3.05Å; C3047-I3196 HydrophobicContact CB-CD1 3.24Å; C3047-I3196 HydrophobicContact CB-CG1 3.67Å; C3047-I3196 WeakPolarHBondContact SG-CD1 3.48Å; I3050-I3196 HydrophobicContact CG2-CD1 4.47Å; L3051-I3196 HydrophobicContact CD1-CD1 4.29Å; F3165-I3196 HydrophobicContact CD1-CD1 4.3Å; F3165-I3196 HydrophobicContact CD1-CG1 4.33Å; F3165-I3196 HydrophobicContact CE1-CD1 4.45Å; F3165-I3196 HydrophobicContact CE1-CG1 4.37Å; F3165-I3196 HydrophobicContact CE1-CG2 4.09Å; F3165-I3196 HydrophobicContact CE2-CD1 3.81Å; F3165-I3196 HydrophobicContact CE2-CG1 3.53Å; F3165-I3196 HydrophobicContact CE2-CG2 4.26Å; F3165-I3196 HydrophobicContact CZ-CB 4.36Å; F3165-I3196 HydrophobicContact CZ-CD1 3.66Å; F3165-I3196 HydrophobicContact CZ-CG1 3.43Å; F3165-I3196 VanDerWaalsContact CZ-CG1 3.43Å; F3165-I3196 HydrophobicContact CZ-CG2 3.85Å; L3168-I3196 HydrophobicContact CD1-CD1 3.57Å; L3168-I3196 HydrophobicContact CD1-CG1 3.68Å; I3196-P3198 WeakPolarHBondContact O-CD 3.28Å; I3196-C3201 HydrophobicContact CG2-CB 4.27Å; I3196-C3201 WeakPolarHBondContact CG2-SG 3.31Å |
| 3197 | N | 66.2 | Low | 56.1 | Low | 36.75 Ų | 36.75 | 71.8 Ų | 71.8 | 20% | 0.197 | 38% | 0.378 | C | S | . | . | trans | -80.3 | 123.3 | 171.9 | -174 | -43 | 0 | 0 | 0 | 110.3 | C3039 D3042 L3195 G3199 E3200 C3201 | C3039-N3197 PolarHBondContact O-ND2 3.19Å; C3039-N3197 PolarHBondContact O-OD1 3.06Å; D3042-N3197 PolarHBondContact O-ND2 3.18Å; D3042-N3197 VanDerWaalsContact O-ND2 3.12Å; L3195-N3197 PolarHBondContact O-N 3.09Å; N3197-G3199 VanDerWaalsContact C-N 3.27Å; N3197-G3199 PolarHBondContact O-N 3.25Å; N3197-G3199 VanDerWaalsContact O-N 3.12Å; N3197-G3199 WeakPolarHBondContact OD1-CA 3.48Å; N3197-G3199 PolarHBondContact OD1-N 3.17Å; N3197-E3200 HydrophobicContact CB-CB 4.14Å; N3197-E3200 HydrophobicContact CB-CG 3.91Å; N3197-E3200 WeakPolarHBondContact CB-OE2 3.36Å; N3197-E3200 PolarHBondContact N-OE2 2.84Å; N3197-E3200 VanDerWaalsContact N-OE2 3.08Å; N3197-E3200 WeakPolarHBondContact O-CA 3.48Å; N3197-E3200 WeakPolarHBondContact O-CB 3.38Å; N3197-E3200 PolarHBondContact O-N 3.19Å; N3197-E3200 PolarHBondContact OD1-N 3.13Å; N3197-C3201 PolarHBondContact O-N 3.06Å; N3197-C3201 VanDerWaalsContact O-N 3.13Å | ||
| 3198 | P | 63.9 | Low | 58.1 | Low | 28.5 Ų | 28.5 | 63.7 Ų | 63.7 | 19% | 0.185 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -27.2 | -178.8 | 14.4 | -19.1 | 0 | 0 | 0 | 113.3 | C2998 I3001 I3033 I3050 L3051 I3196 C3201 L3202 | C2998-P3198 HydrophobicContact CB-CG 4.36Å; I3001-P3198 HydrophobicContact CD1-CB 3.83Å; I3001-P3198 HydrophobicContact CD1-CG 4.27Å; I3001-P3198 HydrophobicContact CG2-CB 4.47Å; I3033-P3198 HydrophobicContact CG2-CB 3.77Å; I3050-P3198 HydrophobicContact CD1-CB 4.17Å; L3051-P3198 HydrophobicContact CD1-CB 4.35Å; I3196-P3198 WeakPolarHBondContact O-CD 3.28Å; P3198-C3201 WeakPolarHBondContact O-CB 3.32Å; P3198-C3201 PolarHBondContact O-N 3.11Å; P3198-L3202 PolarHBondContact O-N 3.14Å; P3198-L3202 VanDerWaalsContact O-N 3.09Å |
| 3199 | G | 67.5 | Low | 60.2 | Low | 12 Ų | 12 | 57.6 Ų | 57.6 | 12% | 0.124 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N3197 C3201 L3202 I3203 | N3197-G3199 VanDerWaalsContact C-N 3.27Å; N3197-G3199 PolarHBondContact O-N 3.25Å; N3197-G3199 VanDerWaalsContact O-N 3.12Å; N3197-G3199 WeakPolarHBondContact OD1-CA 3.48Å; N3197-G3199 PolarHBondContact OD1-N 3.17Å; G3199-C3201 VanDerWaalsContact C-N 3.3Å; G3199-C3201 PolarHBondContact O-N 3.25Å; G3199-L3202 PolarHBondContact O-N 3.21Å; G3199-I3203 WeakPolarHBondContact O-CB 3.36Å; G3199-I3203 WeakPolarHBondContact O-CG1 3.34Å; G3199-I3203 PolarHBondContact O-N 3.19Å |
| 3200 | E | 69.5 | Low | 62.4 | Low | 60.75 Ų | 60.75 | 50.7 Ų | 50.7 | 28% | 0.284 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 173.4 | -73.6 | -176.6 | 153.6 | 0 | 0 | 111.8 | M3040 N3197 I3203 Q3204 Y3323 | M3040-E3200 HydrophobicContact CE-CG 3.67Å; M3040-E3200 VanDerWaalsContact CE-CG 3.5Å; M3040-E3200 HydrophobicContact SD-CG 4.06Å; N3197-E3200 HydrophobicContact CB-CB 4.14Å; N3197-E3200 HydrophobicContact CB-CG 3.91Å; N3197-E3200 WeakPolarHBondContact CB-OE2 3.36Å; N3197-E3200 PolarHBondContact N-OE2 2.84Å; N3197-E3200 VanDerWaalsContact N-OE2 3.08Å; N3197-E3200 WeakPolarHBondContact O-CA 3.48Å; N3197-E3200 WeakPolarHBondContact O-CB 3.38Å; N3197-E3200 PolarHBondContact O-N 3.19Å; N3197-E3200 PolarHBondContact OD1-N 3.13Å; E3200-I3203 WeakPolarHBondContact O-CG2 3.42Å; E3200-I3203 PolarHBondContact O-N 3.5Å; E3200-Q3204 WeakPolarHBondContact O-CB 3.4Å; E3200-Q3204 WeakPolarHBondContact O-CG 3.38Å; E3200-Q3204 PolarHBondContact O-N 3.11Å; E3200-Q3204 VanDerWaalsContact O-N 3.12Å; E3200-Y3323 HydrophobicContact CB-CE2 4.37Å; E3200-Y3323 WeakPolarHBondContact CB-OH 3.48Å; E3200-Y3323 HydrophobicContact CG-CE1 4.39Å; E3200-Y3323 HydrophobicContact CG-CE2 3.76Å; E3200-Y3323 WeakPolarHBondContact CG-OH 3.43Å; E3200-Y3323 PolarHBondContact O-OH 3.16Å; E3200-Y3323 WeakPolarHBondContact OE1-CE2 3.35Å |
| 3201 | C | 72.9 | Confident | 64.1 | Low | 8.33333 Ų | 8.33333 | 47.8 Ų | 47.8 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 174.3 | -103.7 | 0 | 0 | 0 | 0 | 112.3 | I3050 F3161 F3165 I3196 N3197 P3198 G3199 I3203 Q3204 L3205 | I3050-C3201 HydrophobicContact CG2-CB 4.25Å; I3050-C3201 WeakPolarHBondContact CG2-SG 3.44Å; F3161-C3201 HydrophobicContact CE2-CB 3.78Å; F3161-C3201 HydrophobicContact CZ-CB 4.38Å; F3165-C3201 VanDerWaalsContact CZ-SG 3.6Å; I3196-C3201 HydrophobicContact CG2-CB 4.27Å; I3196-C3201 WeakPolarHBondContact CG2-SG 3.31Å; N3197-C3201 PolarHBondContact O-N 3.06Å; N3197-C3201 VanDerWaalsContact O-N 3.13Å; P3198-C3201 WeakPolarHBondContact O-CB 3.32Å; P3198-C3201 PolarHBondContact O-N 3.11Å; G3199-C3201 VanDerWaalsContact C-N 3.3Å; G3199-C3201 PolarHBondContact O-N 3.25Å; C3201-I3203 PolarHBondContact O-N 2.68Å; C3201-Q3204 PolarHBondContact O-N 3.31Å; C3201-L3205 WeakPolarHBondContact O-CG 3.32Å; C3201-L3205 PolarHBondContact O-N 3.32Å; C3201-L3205 VanDerWaalsContact O-N 3.13Å |
| 3202 | L | 77.8 | Confident | 65.5 | Low | 13.6667 Ų | 13.6667 | 43.6 Ų | 43.6 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 179.1 | -179.2 | 59.2 | 0 | 0 | 0 | 111.9 | I3001 F3005 I3012 F3026 I3032 I3033 V3035 P3198 G3199 L3205 I3206 | I3001-L3202 HydrophobicContact CD1-CD2 4.38Å; I3001-L3202 HydrophobicContact CG1-CD2 4.07Å; I3001-L3202 HydrophobicContact CG2-CB 4.34Å; I3001-L3202 HydrophobicContact CG2-CD2 4.27Å; F3005-L3202 HydrophobicContact CB-CD1 3.82Å; F3005-L3202 HydrophobicContact CD2-CD1 4.28Å; F3005-L3202 HydrophobicContact CD2-CD2 3.75Å; F3005-L3202 HydrophobicContact CE2-CD2 4.15Å; F3005-L3202 HydrophobicContact CG-CD1 4.06Å; F3005-L3202 HydrophobicContact CG-CD2 4.35Å; I3012-L3202 HydrophobicContact CD1-CD1 3.46Å; F3026-L3202 HydrophobicContact CE2-CD1 4.07Å; I3032-L3202 HydrophobicContact CG1-CD2 4.39Å; I3033-L3202 HydrophobicContact CD1-CB 4.18Å; I3033-L3202 HydrophobicContact CD1-CD1 4.12Å; V3035-L3202 HydrophobicContact CG1-CD2 3.85Å; P3198-L3202 PolarHBondContact O-N 3.14Å; P3198-L3202 VanDerWaalsContact O-N 3.09Å; G3199-L3202 PolarHBondContact O-N 3.21Å; L3202-L3205 WeakPolarHBondContact O-CB 3.46Å; L3202-L3205 PolarHBondContact O-N 3.13Å; L3202-I3206 HydrophobicContact CD1-CD1 4.3Å; L3202-I3206 HydrophobicContact CG-CD1 4.19Å; L3202-I3206 WeakPolarHBondContact O-CD1 3.34Å; L3202-I3206 WeakPolarHBondContact O-CG1 3.32Å; L3202-I3206 PolarHBondContact O-N 3.08Å; L3202-I3206 VanDerWaalsContact O-N 3.12Å |
| 3203 | I | 80.6 | Confident | 66.8 | Low | 1.33333 Ų | 1.33333 | 39.8 Ų | 39.8 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 176.4 | -94.7 | -38.6 | 0 | 0 | 0 | 111.4 | I3032 C3036 G3199 E3200 C3201 L3205 I3206 V3207 I3309 L3310 Y3313 Y3323 L3324 L3327 | I3032-I3203 HydrophobicContact CG2-CD1 4.45Å; C3036-I3203 HydrophobicContact CB-CD1 3.8Å; C3036-I3203 HydrophobicContact CB-CG1 3.73Å; G3199-I3203 WeakPolarHBondContact O-CB 3.36Å; G3199-I3203 WeakPolarHBondContact O-CG1 3.34Å; G3199-I3203 PolarHBondContact O-N 3.19Å; E3200-I3203 WeakPolarHBondContact O-CG2 3.42Å; E3200-I3203 PolarHBondContact O-N 3.5Å; C3201-I3203 PolarHBondContact O-N 2.68Å; I3203-L3205 VanDerWaalsContact C-N 3.32Å; I3203-L3205 PolarHBondContact O-N 3.16Å; I3203-I3206 HydrophobicContact CD1-CD1 4.25Å; I3203-I3206 PolarHBondContact O-N 3.02Å; I3203-V3207 HydrophobicContact CG2-CG2 4.39Å; I3203-V3207 WeakPolarHBondContact O-CB 3.46Å; I3203-V3207 VanDerWaalsContact O-CG2 3.28Å; I3203-V3207 WeakPolarHBondContact O-CG2 3.33Å; I3203-V3207 PolarHBondContact O-N 3.02Å; I3203-I3309 HydrophobicContact CD1-CG2 3.9Å; I3203-L3310 HydrophobicContact CD1-CD2 4.01Å; I3203-L3310 HydrophobicContact CG2-CD2 4.38Å; I3203-Y3313 HydrophobicContact CD1-CD1 4.11Å; I3203-Y3313 HydrophobicContact CD1-CD2 4.07Å; I3203-Y3313 HydrophobicContact CD1-CE1 4.13Å; I3203-Y3313 HydrophobicContact CD1-CE2 4.09Å; I3203-Y3313 HydrophobicContact CD1-CG 4.03Å; I3203-Y3313 HydrophobicContact CG1-CD1 4.29Å; I3203-Y3313 HydrophobicContact CG1-CD2 3.75Å; I3203-Y3313 HydrophobicContact CG1-CE1 3.88Å; I3203-Y3313 HydrophobicContact CG1-CE2 4.16Å; I3203-Y3313 HydrophobicContact CG1-CG 3.91Å; I3203-Y3313 HydrophobicContact CG2-CE1 4.28Å; I3203-Y3323 HydrophobicContact CB-CE1 4.25Å; I3203-Y3323 HydrophobicContact CG2-CD1 4.15Å; I3203-Y3323 HydrophobicContact CG2-CE1 3.8Å; I3203-L3324 HydrophobicContact CG1-CD2 4.09Å; I3203-L3324 HydrophobicContact CG2-CD2 3.69Å; I3203-L3327 HydrophobicContact CG2-CD1 4.13Å |
| 3204 | Q | 75.7 | Confident | 67.8 | Low | 20.6667 Ų | 20.6667 | 35.1 Ų | 35.1 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 174.8 | -78.3 | -178.4 | 47.6 | 0 | 0 | 112.2 | F3161 R3164 E3200 C3201 I3206 V3207 H3208 Y3323 L3327 | F3161-Q3204 HydrophobicContact CE2-CB 4.05Å; R3164-Q3204 VanDerWaalsContact NH1-CD 3.31Å; E3200-Q3204 WeakPolarHBondContact O-CB 3.4Å; E3200-Q3204 WeakPolarHBondContact O-CG 3.38Å; E3200-Q3204 PolarHBondContact O-N 3.11Å; E3200-Q3204 VanDerWaalsContact O-N 3.12Å; C3201-Q3204 PolarHBondContact O-N 3.31Å; Q3204-I3206 VanDerWaalsContact C-N 3.34Å; Q3204-V3207 PolarHBondContact O-N 3.18Å; Q3204-H3208 VanDerWaalsContact O-CB 3.26Å; Q3204-H3208 WeakPolarHBondContact O-CB 3.38Å; Q3204-H3208 PolarHBondContact O-N 3.28Å; Q3204-H3208 PolarHBondContact O-ND1 3.35Å; Q3204-Y3323 HydrophobicContact CG-CE1 4.44Å; Q3204-Y3323 WeakPolarHBondContact CG-OH 3.33Å; Q3204-Y3323 PolarHBondContact NE2-OH 2.96Å; Q3204-L3327 HydrophobicContact CG-CD1 3.98Å; Q3204-L3327 HydrophobicContact CG-CD2 3.95Å; Q3204-L3327 HydrophobicContact CG-CG 4.4Å |
| 3205 | L | 73.4 | Confident | 68.2 | Low | 26.3333 Ų | 26.3333 | 31.6 Ų | 31.6 | 14% | 0.138 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.9 | -142.1 | 131.6 | 0 | 0 | 0 | 112.1 | L3006 I3012 A3029 F3054 L3057 C3201 L3202 I3203 H3208 Q3209 | L3006-L3205 HydrophobicContact CD2-CD1 3.62Å; I3012-L3205 HydrophobicContact CB-CD2 4.47Å; I3012-L3205 HydrophobicContact CD1-CB 4.13Å; I3012-L3205 HydrophobicContact CD1-CD1 4.34Å; I3012-L3205 HydrophobicContact CD1-CD2 3.77Å; I3012-L3205 HydrophobicContact CG1-CD2 4.27Å; A3029-L3205 HydrophobicContact CB-CD2 3.38Å; F3054-L3205 HydrophobicContact CD2-CD1 4Å; F3054-L3205 HydrophobicContact CD2-CD2 3.63Å; F3054-L3205 HydrophobicContact CE2-CD1 4.03Å; F3054-L3205 HydrophobicContact CE2-CD2 3.74Å; F3054-L3205 HydrophobicContact CE2-CG 4.33Å; L3057-L3205 HydrophobicContact CD2-CD1 4.21Å; C3201-L3205 WeakPolarHBondContact O-CG 3.32Å; C3201-L3205 PolarHBondContact O-N 3.32Å; C3201-L3205 VanDerWaalsContact O-N 3.13Å; L3202-L3205 WeakPolarHBondContact O-CB 3.46Å; L3202-L3205 PolarHBondContact O-N 3.13Å; I3203-L3205 VanDerWaalsContact C-N 3.32Å; I3203-L3205 PolarHBondContact O-N 3.16Å; L3205-H3208 WeakPolarHBondContact O-CB 3.32Å; L3205-H3208 PolarHBondContact O-N 3.33Å; L3205-Q3209 VanDerWaalsContact O-CG 3.29Å; L3205-Q3209 WeakPolarHBondContact O-CG 3.33Å; L3205-Q3209 PolarHBondContact O-N 3.18Å |
| 3206 | I | 79.7 | Confident | 68.3 | Low | 1.66667 Ų | 1.66667 | 27.5 Ų | 27.5 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -47.5 | 175.2 | -68.5 | 166.9 | 0 | 0 | 0 | 110.3 | I3012 I3032 L3202 I3203 Q3204 H3208 Q3209 L3210 Y3306 I3309 L3310 | I3012-I3206 HydrophobicContact CD1-CG1 4.17Å; I3012-I3206 HydrophobicContact CG2-CG1 4.27Å; I3032-I3206 HydrophobicContact CB-CD1 4.38Å; I3032-I3206 HydrophobicContact CD1-CD1 4.01Å; I3032-I3206 HydrophobicContact CG1-CD1 4.36Å; I3032-I3206 HydrophobicContact CG2-CD1 3.33Å; I3032-I3206 VanDerWaalsContact CG2-CD1 3.43Å; L3202-I3206 HydrophobicContact CD1-CD1 4.3Å; L3202-I3206 HydrophobicContact CG-CD1 4.19Å; L3202-I3206 WeakPolarHBondContact O-CD1 3.34Å; L3202-I3206 WeakPolarHBondContact O-CG1 3.32Å; L3202-I3206 PolarHBondContact O-N 3.08Å; L3202-I3206 VanDerWaalsContact O-N 3.12Å; I3203-I3206 HydrophobicContact CD1-CD1 4.25Å; I3203-I3206 PolarHBondContact O-N 3.02Å; Q3204-I3206 VanDerWaalsContact C-N 3.34Å; I3206-H3208 VanDerWaalsContact C-N 3.31Å; I3206-H3208 PolarHBondContact O-N 3.35Å; I3206-Q3209 VanDerWaalsContact O-CB 3.29Å; I3206-Q3209 WeakPolarHBondContact O-CB 3.08Å; I3206-Q3209 PolarHBondContact O-N 2.98Å; I3206-L3210 HydrophobicContact CG2-CD1 4Å; I3206-L3210 WeakPolarHBondContact O-CG 3.3Å; I3206-L3210 PolarHBondContact O-N 3.14Å; I3206-Y3306 WeakPolarHBondContact CA-OH 3.39Å; I3206-Y3306 HydrophobicContact CG1-CD1 4.49Å; I3206-Y3306 HydrophobicContact CG2-CD1 4.37Å; I3206-Y3306 HydrophobicContact CG2-CD2 4.36Å; I3206-Y3306 HydrophobicContact CG2-CE1 4.24Å; I3206-Y3306 HydrophobicContact CG2-CE2 3.92Å; I3206-Y3306 HydrophobicContact CG2-CG 4.01Å; I3206-Y3306 WeakPolarHBondContact CG2-OH 3.48Å; I3206-Y3306 PolarHBondContact O-OH 3.33Å; I3206-I3309 HydrophobicContact CD1-CB 4.42Å; I3206-I3309 HydrophobicContact CD1-CD1 4.1Å; I3206-I3309 HydrophobicContact CD1-CG2 4.2Å; I3206-L3310 HydrophobicContact CG2-CD2 4.11Å; I3206-L3310 HydrophobicContact CG2-CG 4.45Å |
| 3207 | V | 78.9 | Confident | 67.9 | Low | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.8 | -37.7 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | I3203 Q3204 Q3209 L3210 H3211 L3310 L3324 L3327 V3329 I3332 | I3203-V3207 HydrophobicContact CG2-CG2 4.39Å; I3203-V3207 WeakPolarHBondContact O-CB 3.46Å; I3203-V3207 VanDerWaalsContact O-CG2 3.28Å; I3203-V3207 WeakPolarHBondContact O-CG2 3.33Å; I3203-V3207 PolarHBondContact O-N 3.02Å; Q3204-V3207 PolarHBondContact O-N 3.18Å; V3207-Q3209 VanDerWaalsContact C-N 3.29Å; V3207-Q3209 PolarHBondContact O-N 2.96Å; V3207-L3210 WeakPolarHBondContact O-CB 3.34Å; V3207-L3210 PolarHBondContact O-N 3.25Å; V3207-H3211 PolarHBondContact O-N 3Å; V3207-L3310 HydrophobicContact CG2-CD2 4.06Å; V3207-L3324 HydrophobicContact CG2-CD2 4.33Å; V3207-L3327 HydrophobicContact CB-CD1 4.46Å; V3207-L3327 HydrophobicContact CG1-CB 4.3Å; V3207-L3327 HydrophobicContact CG2-CD1 4.17Å; V3207-V3329 HydrophobicContact CB-CG2 4.49Å; V3207-V3329 HydrophobicContact CG1-CG2 4Å; V3207-V3329 HydrophobicContact CG2-CG2 3.7Å; V3207-I3332 HydrophobicContact CG1-CD1 3.66Å |
| 3208 | H | 71.4 | Confident | 67 | Low | 27 Ų | 27 | 26.4 Ų | 26.4 | 13% | 0.125 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.6 | -33.5 | 177.8 | -145.3 | 65 | 0 | 0 | 0 | 112.7 | F3054 S3157 Q3204 L3205 I3206 L3210 H3211 F3212 | F3054-H3208 AromaticContact CZ-NE2 3.98Å; S3157-H3208 WeakPolarHBondContact OG-CB 3.46Å; S3157-H3208 PolarHBondContact OG-CD2 3.26Å; S3157-H3208 VanDerWaalsContact OG-CD2 3.28Å; S3157-H3208 PolarHBondContact OG-CE1 3.09Å; S3157-H3208 PolarHBondContact OG-ND1 3.25Å; Q3204-H3208 VanDerWaalsContact O-CB 3.26Å; Q3204-H3208 WeakPolarHBondContact O-CB 3.38Å; Q3204-H3208 PolarHBondContact O-N 3.28Å; Q3204-H3208 PolarHBondContact O-ND1 3.35Å; L3205-H3208 WeakPolarHBondContact O-CB 3.32Å; L3205-H3208 PolarHBondContact O-N 3.33Å; I3206-H3208 VanDerWaalsContact C-N 3.31Å; I3206-H3208 PolarHBondContact O-N 3.35Å; H3208-L3210 VanDerWaalsContact C-N 3.34Å; H3208-L3210 PolarHBondContact O-N 2.93Å; H3208-H3211 AromaticContact ND1-CD2 3.96Å; H3208-H3211 WeakPolarHBondContact O-CB 3.45Å; H3208-H3211 PolarHBondContact O-N 3.14Å; H3208-H3211 VanDerWaalsContact O-N 3.07Å; H3208-F3212 AromaticContact CD2-CE2 3.77Å; H3208-F3212 AromaticContact NE2-CE2 3.62Å; H3208-F3212 AromaticContact NE2-CZ 3.85Å; H3208-F3212 WeakPolarHBondContact O-CD2 3.36Å; H3208-F3212 WeakPolarHBondContact O-CE2 3.39Å; H3208-F3212 PolarHBondContact O-N 3.12Å; H3208-F3212 VanDerWaalsContact O-N 3.13Å |
| 3209 | Q | 72.7 | Confident | 66 | Low | 22.6667 Ų | 22.6667 | 29.9 Ų | 29.9 | 11% | 0.106 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61 | -30.6 | 172.8 | -70.4 | -149.7 | -22.1 | 0 | 0 | 112.4 | R3025 L3205 I3206 V3207 H3211 F3212 S3213 L3217 Y3306 | R3025-Q3209 VanDerWaalsContact NH2-OE1 3.08Å; L3205-Q3209 VanDerWaalsContact O-CG 3.29Å; L3205-Q3209 WeakPolarHBondContact O-CG 3.33Å; L3205-Q3209 PolarHBondContact O-N 3.18Å; I3206-Q3209 VanDerWaalsContact O-CB 3.29Å; I3206-Q3209 WeakPolarHBondContact O-CB 3.08Å; I3206-Q3209 PolarHBondContact O-N 2.98Å; V3207-Q3209 VanDerWaalsContact C-N 3.29Å; V3207-Q3209 PolarHBondContact O-N 2.96Å; Q3209-H3211 VanDerWaalsContact C-N 3.25Å; Q3209-H3211 PolarHBondContact O-N 3.14Å; Q3209-F3212 WeakPolarHBondContact O-CB 3.32Å; Q3209-F3212 WeakPolarHBondContact O-CD2 3.19Å; Q3209-F3212 PolarHBondContact O-N 3.43Å; Q3209-F3212 VanDerWaalsContact O-N 3.1Å; Q3209-S3213 PolarHBondContact O-N 3.46Å; Q3209-L3217 HydrophobicContact CB-CD2 4.19Å; Q3209-L3217 HydrophobicContact CG-CD2 4.35Å; Q3209-L3217 WeakPolarHBondContact O-CD1 3.33Å; Q3209-Y3306 HydrophobicContact CB-CE2 4.44Å; Q3209-Y3306 WeakPolarHBondContact CB-OH 2.69Å; Q3209-Y3306 PolarHBondContact OE1-OH 3.19Å |
| 3210 | L | 73.2 | Confident | 64.6 | Low | 6.33333 Ų | 6.33333 | 31.7 Ų | 31.7 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -21.2 | 174.4 | -70.5 | 169.5 | 0 | 0 | 0 | 113.5 | I3206 V3207 H3208 F3212 W3303 Y3306 F3307 L3310 I3332 L3333 Y3336 | I3206-L3210 HydrophobicContact CG2-CD1 4Å; I3206-L3210 WeakPolarHBondContact O-CG 3.3Å; I3206-L3210 PolarHBondContact O-N 3.14Å; V3207-L3210 WeakPolarHBondContact O-CB 3.34Å; V3207-L3210 PolarHBondContact O-N 3.25Å; H3208-L3210 VanDerWaalsContact C-N 3.34Å; H3208-L3210 PolarHBondContact O-N 2.93Å; L3210-F3212 VanDerWaalsContact C-N 3.3Å; L3210-F3212 PolarHBondContact O-N 3.43Å; L3210-W3303 HydrophobicContact CB-CZ3 4.42Å; L3210-W3303 HydrophobicContact CD2-CE3 3.43Å; L3210-W3303 VanDerWaalsContact CD2-CE3 3.43Å; L3210-W3303 HydrophobicContact CD2-CH2 4.48Å; L3210-W3303 HydrophobicContact CD2-CZ3 3.79Å; L3210-W3303 HydrophobicContact CG-CE3 4.25Å; L3210-W3303 HydrophobicContact CG-CZ3 3.78Å; L3210-Y3306 HydrophobicContact CD1-CE1 4.26Å; L3210-Y3306 HydrophobicContact CD2-CD1 4.24Å; L3210-Y3306 HydrophobicContact CD2-CE1 3.62Å; L3210-Y3306 HydrophobicContact CG-CE1 3.94Å; L3210-F3307 HydrophobicContact CD1-CE1 4.23Å; L3210-F3307 HydrophobicContact CD2-CE1 3.67Å; L3210-F3307 HydrophobicContact CD2-CZ 4.29Å; L3210-L3310 HydrophobicContact CD1-CD1 3.76Å; L3210-I3332 HydrophobicContact CB-CG2 3.65Å; L3210-I3332 HydrophobicContact CD1-CG2 4.37Å; L3210-L3333 HydrophobicContact CD1-CD2 3.99Å; L3210-Y3336 HydrophobicContact CD2-CD2 4.48Å; L3210-Y3336 WeakPolarHBondContact O-CD2 3.38Å; L3210-Y3336 WeakPolarHBondContact O-CE2 3.43Å |
| 3211 | H | 66.4 | Low | 63.1 | Low | 88.3333 Ų | 88.3333 | 31.3 Ų | 31.3 | 41% | 0.409 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -16.1 | 174.6 | -96 | -75 | 0 | 0 | 0 | 113.3 | S3157 V3207 H3208 Q3209 I3332 | S3157-H3211 VanDerWaalsContact OG-CB 3.27Å; S3157-H3211 WeakPolarHBondContact OG-CB 3.44Å; S3157-H3211 PolarHBondContact OG-CD2 2.95Å; S3157-H3211 PolarHBondContact OG-NE2 2.97Å; V3207-H3211 PolarHBondContact O-N 3Å; H3208-H3211 AromaticContact ND1-CD2 3.96Å; H3208-H3211 WeakPolarHBondContact O-CB 3.45Å; H3208-H3211 PolarHBondContact O-N 3.14Å; H3208-H3211 VanDerWaalsContact O-N 3.07Å; Q3209-H3211 VanDerWaalsContact C-N 3.25Å; Q3209-H3211 PolarHBondContact O-N 3.14Å; H3211-I3332 HydrophobicContact CB-CD1 4.43Å; H3211-I3332 WeakPolarHBondContact NE2-CD1 3.22Å |
| 3212 | F | 62.7 | Low | 61.2 | Low | 48.6667 Ų | 48.6667 | 36.3 Ų | 36.3 | 21% | 0.213 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -100.2 | 114.4 | 178.2 | -60.8 | -90.9 | 0 | 0 | 0 | 111 | A3153 R3154 H3208 Q3209 L3210 T3216 L3217 Y3336 | A3153-F3212 HydrophobicContact CB-CD1 3.6Å; A3153-F3212 HydrophobicContact CB-CD2 4.33Å; A3153-F3212 HydrophobicContact CB-CE1 3.75Å; A3153-F3212 HydrophobicContact CB-CE2 4.46Å; A3153-F3212 HydrophobicContact CB-CG 3.91Å; A3153-F3212 HydrophobicContact CB-CZ 4.18Å; R3154-F3212 HydrophobicContact CG-CD1 4.06Å; R3154-F3212 HydrophobicContact CG-CE1 3.63Å; R3154-F3212 HydrophobicContact CG-CZ 4.03Å; H3208-F3212 AromaticContact CD2-CE2 3.77Å; H3208-F3212 AromaticContact NE2-CE2 3.62Å; H3208-F3212 AromaticContact NE2-CZ 3.85Å; H3208-F3212 WeakPolarHBondContact O-CD2 3.36Å; H3208-F3212 WeakPolarHBondContact O-CE2 3.39Å; H3208-F3212 PolarHBondContact O-N 3.12Å; H3208-F3212 VanDerWaalsContact O-N 3.13Å; Q3209-F3212 WeakPolarHBondContact O-CB 3.32Å; Q3209-F3212 WeakPolarHBondContact O-CD2 3.19Å; Q3209-F3212 PolarHBondContact O-N 3.43Å; Q3209-F3212 VanDerWaalsContact O-N 3.1Å; L3210-F3212 VanDerWaalsContact C-N 3.3Å; L3210-F3212 PolarHBondContact O-N 3.43Å; F3212-T3216 HydrophobicContact CB-CG2 4.41Å; F3212-T3216 HydrophobicContact CD1-CG2 3.92Å; F3212-L3217 HydrophobicContact CB-CD1 4.27Å; F3212-L3217 HydrophobicContact CB-CD2 4.26Å; F3212-L3217 HydrophobicContact CB-CG 4.07Å; F3212-Y3336 WeakPolarHBondContact O-CE2 3.22Å; F3212-Y3336 PolarHBondContact O-OH 3.46Å |
| 3213 | S | 59.3 | Low | 59.1 | Low | 20.6667 Ų | 20.6667 | 43.2 Ų | 43.2 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | trans | -58.3 | 143.7 | 175.9 | 146.2 | 0 | 0 | 0 | 0 | 111.3 | Q3209 N3215 T3216 L3217 W3303 Y3340 | Q3209-S3213 PolarHBondContact O-N 3.46Å; S3213-N3215 PolarHBondContact O-N 2.93Å; S3213-N3215 VanDerWaalsContact O-N 3.13Å; S3213-N3215 PolarHBondContact OG-N 2.95Å; S3213-T3216 WeakPolarHBondContact O-CA 3.33Å; S3213-T3216 VanDerWaalsContact O-CB 3.31Å; S3213-T3216 WeakPolarHBondContact O-CB 3.34Å; S3213-T3216 PolarHBondContact O-N 3.43Å; S3213-T3216 PolarHBondContact O-OG1 3.46Å; S3213-T3216 PolarHBondContact OG-N 3.15Å; S3213-T3216 VanDerWaalsContact OG-N 3.13Å; S3213-T3216 PolarHBondContact OG-OG1 2.92Å; S3213-L3217 PolarHBondContact O-N 3.08Å; S3213-L3217 VanDerWaalsContact O-N 3.09Å; S3213-W3303 WeakPolarHBondContact OG-CZ2 3.48Å; S3213-Y3340 WeakPolarHBondContact CB-OH 3.26Å | ||
| 3214 | P | 57.3 | Low | 56.7 | Low | 19.3333 Ų | 19.3333 | 46.4 Ų | 46.4 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55 | -34.1 | 176.1 | -21.8 | 27.9 | 0 | 0 | 0 | 113 | T3216 L3217 A3218 W3303 Y3336 Y3340 M3343 | P3214-T3216 VanDerWaalsContact C-N 3.34Å; P3214-T3216 PolarHBondContact O-N 3.49Å; P3214-L3217 PolarHBondContact O-N 3.29Å; P3214-L3217 VanDerWaalsContact O-N 3.16Å; P3214-A3218 VanDerWaalsContact O-CB 3.29Å; P3214-A3218 WeakPolarHBondContact O-CB 3.25Å; P3214-A3218 PolarHBondContact O-N 2.87Å; P3214-W3303 HydrophobicContact CB-CZ2 4.1Å; P3214-W3303 HydrophobicContact CG-CZ2 4.14Å; P3214-Y3336 HydrophobicContact CB-CE2 4.17Å; P3214-Y3336 WeakPolarHBondContact CD-OH 3.48Å; P3214-Y3336 HydrophobicContact CG-CD2 4.26Å; P3214-Y3336 HydrophobicContact CG-CE1 3.95Å; P3214-Y3336 HydrophobicContact CG-CE2 3.54Å; P3214-Y3336 WeakPolarHBondContact CG-OH 3.41Å; P3214-Y3340 VanDerWaalsContact CD-CG 3.49Å; P3214-Y3340 HydrophobicContact CG-CD1 4.09Å; P3214-Y3340 HydrophobicContact CG-CD2 4.13Å; P3214-Y3340 HydrophobicContact CG-CG 3.75Å; P3214-M3343 HydrophobicContact CB-CB 4.28Å; P3214-M3343 HydrophobicContact CB-CE 3.76Å; P3214-M3343 HydrophobicContact CB-SD 3.67Å; P3214-M3343 HydrophobicContact CG-CB 4.18Å; P3214-M3343 HydrophobicContact CG-CE 4.45Å; P3214-M3343 HydrophobicContact CG-SD 3.7Å |
| 3215 | N | 53.8 | Low | 54.5 | Low | 52.3333 Ų | 52.3333 | 51.6 Ų | 51.6 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.8 | -35.5 | -179.9 | -69.3 | -22.8 | 0 | 0 | 0 | 112.4 | S3213 L3217 A3218 L3219 S3299 Y3340 M3343 | S3213-N3215 PolarHBondContact O-N 2.93Å; S3213-N3215 VanDerWaalsContact O-N 3.13Å; S3213-N3215 PolarHBondContact OG-N 2.95Å; N3215-L3217 VanDerWaalsContact C-N 3.26Å; N3215-L3217 PolarHBondContact O-N 3Å; N3215-A3218 PolarHBondContact O-N 3.08Å; N3215-L3219 HydrophobicContact CB-CD1 3.63Å; N3215-L3219 VanDerWaalsContact O-CB 3.29Å; N3215-L3219 WeakPolarHBondContact O-CB 3.46Å; N3215-L3219 WeakPolarHBondContact O-CD1 3.16Å; N3215-L3219 VanDerWaalsContact O-CG 3.25Å; N3215-L3219 WeakPolarHBondContact O-CG 3.21Å; N3215-L3219 PolarHBondContact O-N 3.31Å; N3215-S3299 PolarHBondContact ND2-OG 3.39Å; N3215-Y3340 HydrophobicContact CB-CE2 4.36Å; N3215-Y3340 PolarHBondContact ND2-OH 3.47Å; N3215-M3343 WeakPolarHBondContact OD1-CE 3.23Å |
| 3216 | T | 52.5 | Low | 52.4 | Low | 33.6667 Ų | 33.6667 | 58.7 Ų | 58.7 | 21% | 0.207 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.6 | -27.6 | 178 | -34.3 | 0 | 0 | 0 | 0 | 112.3 | R3013 Q3150 F3212 S3213 P3214 S3339 | R3013-T3216 PolarHBondContact NH2-O 3.2Å; Q3150-T3216 PolarHBondContact NE2-OG1 3.5Å; Q3150-T3216 PolarHBondContact OE1-OG1 3.21Å; F3212-T3216 HydrophobicContact CB-CG2 4.41Å; F3212-T3216 HydrophobicContact CD1-CG2 3.92Å; S3213-T3216 WeakPolarHBondContact O-CA 3.33Å; S3213-T3216 VanDerWaalsContact O-CB 3.31Å; S3213-T3216 WeakPolarHBondContact O-CB 3.34Å; S3213-T3216 PolarHBondContact O-N 3.43Å; S3213-T3216 PolarHBondContact O-OG1 3.46Å; S3213-T3216 PolarHBondContact OG-N 3.15Å; S3213-T3216 VanDerWaalsContact OG-N 3.13Å; S3213-T3216 PolarHBondContact OG-OG1 2.92Å; P3214-T3216 VanDerWaalsContact C-N 3.34Å; P3214-T3216 PolarHBondContact O-N 3.49Å; T3216-S3339 WeakPolarHBondContact CG2-OG 3.39Å |
| 3217 | L | 51 | Low | 49.9 | Very low | 25.6667 Ų | 25.6667 | 65.8 Ų | 65.8 | 13% | 0.134 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -87.4 | -32.2 | 177.3 | -71.3 | 161.9 | 0 | 0 | 0 | 112.6 | R3013 F3017 V3146 Q3150 Q3209 F3212 S3213 P3214 N3215 L3219 S3220 S3221 W3303 | R3013-L3217 HydrophobicContact CG-CD2 4.45Å; R3013-L3217 VanDerWaalsContact CZ-O 3.31Å; R3013-L3217 PolarHBondContact NE-O 3.34Å; R3013-L3217 PolarHBondContact NH2-O 2.89Å; F3017-L3217 HydrophobicContact CE2-CD1 4.33Å; F3017-L3217 HydrophobicContact CE2-CD2 4.37Å; F3017-L3217 HydrophobicContact CZ-CD1 4.01Å; V3146-L3217 HydrophobicContact CG1-CB 4.47Å; Q3150-L3217 HydrophobicContact CG-CD1 4.05Å; Q3209-L3217 HydrophobicContact CB-CD2 4.19Å; Q3209-L3217 HydrophobicContact CG-CD2 4.35Å; Q3209-L3217 WeakPolarHBondContact O-CD1 3.33Å; F3212-L3217 HydrophobicContact CB-CD1 4.27Å; F3212-L3217 HydrophobicContact CB-CD2 4.26Å; F3212-L3217 HydrophobicContact CB-CG 4.07Å; S3213-L3217 PolarHBondContact O-N 3.08Å; S3213-L3217 VanDerWaalsContact O-N 3.09Å; P3214-L3217 PolarHBondContact O-N 3.29Å; P3214-L3217 VanDerWaalsContact O-N 3.16Å; N3215-L3217 VanDerWaalsContact C-N 3.26Å; N3215-L3217 PolarHBondContact O-N 3Å; L3217-L3219 PolarHBondContact O-N 3.23Å; L3217-S3220 WeakPolarHBondContact CA-OG 3.4Å; L3217-S3220 PolarHBondContact O-N 3.34Å; L3217-S3220 PolarHBondContact O-OG 2.72Å; L3217-S3221 PolarHBondContact O-N 3.07Å; L3217-S3221 VanDerWaalsContact O-N 3.13Å; L3217-S3221 PolarHBondContact O-OG 3.28Å; L3217-W3303 HydrophobicContact CB-CH2 4.36Å; L3217-W3303 HydrophobicContact CB-CZ2 4.08Å; L3217-W3303 HydrophobicContact CD1-CH2 3.52Å; L3217-W3303 VanDerWaalsContact CD1-CH2 3.48Å; L3217-W3303 HydrophobicContact CD1-CZ2 4.04Å |
| 3218 | A | 46.9 | Very low | 47.4 | Very low | 31.6667 Ų | 31.6667 | 73 Ų | 73 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.9 | -32.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H3018 P3214 N3215 S3220 S3221 N3222 V3296 P3298 | H3018-A3218 PolarHBondContact CE1-O 2.7Å; P3214-A3218 VanDerWaalsContact O-CB 3.29Å; P3214-A3218 WeakPolarHBondContact O-CB 3.25Å; P3214-A3218 PolarHBondContact O-N 2.87Å; N3215-A3218 PolarHBondContact O-N 3.08Å; A3218-S3220 PolarHBondContact O-N 3.29Å; A3218-S3221 PolarHBondContact O-N 3.12Å; A3218-S3221 PolarHBondContact O-OG 3.03Å; A3218-S3221 VanDerWaalsContact O-OG 3.07Å; A3218-N3222 PolarHBondContact O-ND2 3.17Å; A3218-V3296 WeakPolarHBondContact CB-O 3.46Å; A3218-P3298 HydrophobicContact CB-CG 3.76Å |
| 3219 | L | 43 | Very low | 45.2 | Very low | 102.667 Ų | 102.667 | 78.6 Ų | 78.6 | 54% | 0.538 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -75.5 | 14.8 | -177.8 | -81.9 | 142.2 | 0 | 0 | 0 | 113.3 | R3013 N3215 L3217 S3339 | R3013-L3219 PolarHBondContact NH2-O 3.27Å; N3215-L3219 HydrophobicContact CB-CD1 3.63Å; N3215-L3219 VanDerWaalsContact O-CB 3.29Å; N3215-L3219 WeakPolarHBondContact O-CB 3.46Å; N3215-L3219 WeakPolarHBondContact O-CD1 3.16Å; N3215-L3219 VanDerWaalsContact O-CG 3.25Å; N3215-L3219 WeakPolarHBondContact O-CG 3.21Å; N3215-L3219 PolarHBondContact O-N 3.31Å; L3217-L3219 PolarHBondContact O-N 3.23Å; L3219-S3339 WeakPolarHBondContact CD1-O 3.39Å |
| 3220 | S | 37.8 | Very low | 43 | Very low | 49 Ų | 49 | 82.2 Ų | 82.2 | 34% | 0.343 | 43% | 0.427 | S | S | . | . | trans | -72.5 | -25 | 173.6 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | R3013 H3018 L3217 A3218 N3222 K3223 S3224 | R3013-S3220 PolarHBondContact NH2-OG 3.01Å; H3018-S3220 PolarHBondContact CE1-OG 3.25Å; L3217-S3220 WeakPolarHBondContact CA-OG 3.4Å; L3217-S3220 PolarHBondContact O-N 3.34Å; L3217-S3220 PolarHBondContact O-OG 2.72Å; A3218-S3220 PolarHBondContact O-N 3.29Å; S3220-N3222 VanDerWaalsContact C-N 3.31Å; S3220-N3222 PolarHBondContact O-N 3.2Å; S3220-N3222 PolarHBondContact OG-ND2 3.02Å; S3220-N3222 PolarHBondContact OG-OD1 2.93Å; S3220-K3223 PolarHBondContact O-N 3.39Å; S3220-S3224 PolarHBondContact O-OG 2.91Å | ||
| 3221 | S | 37 | Very low | 40.7 | Very low | 51.6667 Ų | 51.6667 | 92 Ų | 92 | 36% | 0.361 | 47% | 0.465 | S | S | . | . | trans | -68.3 | -6.6 | 176.5 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | L3217 A3218 K3223 S3224 F3225 | L3217-S3221 PolarHBondContact O-N 3.07Å; L3217-S3221 VanDerWaalsContact O-N 3.13Å; L3217-S3221 PolarHBondContact O-OG 3.28Å; A3218-S3221 PolarHBondContact O-N 3.12Å; A3218-S3221 PolarHBondContact O-OG 3.03Å; A3218-S3221 VanDerWaalsContact O-OG 3.07Å; S3221-K3223 PolarHBondContact O-N 3.08Å; S3221-K3223 VanDerWaalsContact O-N 3.12Å; S3221-S3224 PolarHBondContact O-N 2.86Å; S3221-S3224 PolarHBondContact O-OG 3.45Å; S3221-S3224 PolarHBondContact OG-OG 2.93Å; S3221-F3225 PolarHBondContact O-N 3.39Å | ||
| 3222 | N | 34.4 | Very low | 38.8 | Very low | 114 Ų | 114 | 96.7 Ų | 96.7 | 61% | 0.61 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.7 | -176.7 | -72.6 | -4.4 | 0 | 0 | 0 | 114.1 | A3218 S3220 F3225 Q3226 | A3218-N3222 PolarHBondContact O-ND2 3.17Å; S3220-N3222 VanDerWaalsContact C-N 3.31Å; S3220-N3222 PolarHBondContact O-N 3.2Å; S3220-N3222 PolarHBondContact OG-ND2 3.02Å; S3220-N3222 PolarHBondContact OG-OD1 2.93Å; N3222-F3225 CarbonylContact O-C 3.58Å; N3222-F3225 PolarHBondContact O-N 3.12Å; N3222-Q3226 WeakPolarHBondContact O-CB 3.14Å; N3222-Q3226 WeakPolarHBondContact O-CG 3.23Å; N3222-Q3226 PolarHBondContact O-N 3.06Å |
| 3223 | K | 33.4 | Very low | 37.2 | Very low | 159.333 Ų | 159.333 | 102.2 Ų | 102.2 | 69% | 0.693 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -22.4 | 174.3 | -78.3 | -174.8 | 173.2 | -156.6 | 0 | 114.1 | S3220 S3221 F3225 Q3226 E3227 | S3220-K3223 PolarHBondContact O-N 3.39Å; S3221-K3223 PolarHBondContact O-N 3.08Å; S3221-K3223 VanDerWaalsContact O-N 3.12Å; K3223-F3225 PolarHBondContact O-N 3Å; K3223-F3225 VanDerWaalsContact O-N 3.17Å; K3223-Q3226 PolarHBondContact O-N 3.49Å; K3223-Q3226 VanDerWaalsContact O-N 3.15Å; K3223-E3227 HydrophobicContact CB-CG 4.48Å; K3223-E3227 IonicContact NZ-OE1 2.91Å; K3223-E3227 PolarHBondContact NZ-OE1 3.18Å; K3223-E3227 VanDerWaalsContact O-CB 3.24Å; K3223-E3227 WeakPolarHBondContact O-CB 3.2Å; K3223-E3227 WeakPolarHBondContact O-CG 3.08Å; K3223-E3227 PolarHBondContact O-N 3.15Å |
| 3224 | S | 30.3 | Very low | 35.6 | Very low | 68.3333 Ų | 68.3333 | 108.9 Ų | 108.9 | 48% | 0.478 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -104.2 | -8.8 | 179.3 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | S3220 S3221 Q3228 | S3220-S3224 PolarHBondContact O-OG 2.91Å; S3221-S3224 PolarHBondContact O-N 2.86Å; S3221-S3224 PolarHBondContact O-OG 3.45Å; S3221-S3224 PolarHBondContact OG-OG 2.93Å; S3224-Q3228 VanDerWaalsContact O-CB 3.26Å; S3224-Q3228 WeakPolarHBondContact O-CB 3.42Å; S3224-Q3228 WeakPolarHBondContact O-CG 3.23Å; S3224-Q3228 PolarHBondContact O-N 3.43Å |
| 3225 | F | 29.6 | Very low | 34.1 | Very low | 129.667 Ų | 129.667 | 113.5 Ų | 113.5 | 57% | 0.569 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 5.2 | 179.2 | -114.4 | -89.4 | 0 | 0 | 0 | 114.6 | P3020 S3221 N3222 K3223 E3227 | P3020-F3225 HydrophobicContact CG-CE1 4.25Å; P3020-F3225 HydrophobicContact CG-CZ 3.97Å; S3221-F3225 PolarHBondContact O-N 3.39Å; N3222-F3225 CarbonylContact O-C 3.58Å; N3222-F3225 PolarHBondContact O-N 3.12Å; K3223-F3225 PolarHBondContact O-N 3Å; K3223-F3225 VanDerWaalsContact O-N 3.17Å; F3225-E3227 VanDerWaalsContact C-N 3.31Å |
| 3226 | Q | 28.9 | Very low | 32.9 | Very low | 174 Ų | 174 | 119.6 Ų | 119.6 | 81% | 0.813 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -17.8 | 173.8 | -91.6 | -177.2 | -28.4 | 0 | 0 | 113.2 | N3222 K3223 Q3228 Q3229 | N3222-Q3226 WeakPolarHBondContact O-CB 3.14Å; N3222-Q3226 WeakPolarHBondContact O-CG 3.23Å; N3222-Q3226 PolarHBondContact O-N 3.06Å; K3223-Q3226 PolarHBondContact O-N 3.49Å; K3223-Q3226 VanDerWaalsContact O-N 3.15Å; Q3226-Q3228 PolarHBondContact O-N 3.22Å; Q3226-Q3229 PolarHBondContact O-N 3.42Å; Q3226-Q3229 VanDerWaalsContact O-N 3.08Å |
| 3227 | E | 27.5 | Very low | 31.7 | Very low | 152.333 Ų | 152.333 | 122.7 Ų | 122.7 | 71% | 0.712 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 29.5 | 176.1 | -64.7 | -179.3 | 160.5 | 0 | 0 | 112 | K3223 F3225 | K3223-E3227 HydrophobicContact CB-CG 4.48Å; K3223-E3227 IonicContact NZ-OE1 2.91Å; K3223-E3227 PolarHBondContact NZ-OE1 3.18Å; K3223-E3227 VanDerWaalsContact O-CB 3.24Å; K3223-E3227 WeakPolarHBondContact O-CB 3.2Å; K3223-E3227 WeakPolarHBondContact O-CG 3.08Å; K3223-E3227 PolarHBondContact O-N 3.15Å; F3225-E3227 VanDerWaalsContact C-N 3.31Å |
| 3228 | Q | 26 | Very low | 30.5 | Very low | 155.333 Ų | 155.333 | 127.4 Ų | 127.4 | 73% | 0.726 | 64% | 0.639 | S | S | * | * | trans | -127 | 39.1 | 172.2 | -61.5 | -171.1 | -1.6 | 0 | 0 | 115.4 | S3224 Q3226 P3230 | S3224-Q3228 VanDerWaalsContact O-CB 3.26Å; S3224-Q3228 WeakPolarHBondContact O-CB 3.42Å; S3224-Q3228 WeakPolarHBondContact O-CG 3.23Å; S3224-Q3228 PolarHBondContact O-N 3.43Å; Q3226-Q3228 PolarHBondContact O-N 3.22Å; Q3228-P3230 WeakPolarHBondContact O-CD 3.46Å | ||
| 3229 | Q | 25.5 | Very low | 29.7 | Very low | 145.667 Ų | 145.667 | 131.6 Ų | 131.6 | 68% | 0.681 | 66% | 0.655 | S | S | * | * | trans | -97.4 | 126.7 | 149.5 | -74.2 | -156.5 | -0.2 | 0 | 0 | 109.4 | Q3226 Y3231 | Q3226-Q3229 PolarHBondContact O-N 3.42Å; Q3226-Q3229 VanDerWaalsContact O-N 3.08Å; Q3229-Y3231 PolarHBondContact O-N 2.9Å; Q3229-Y3231 VanDerWaalsContact O-N 3.08Å | ||
| 3230 | P | 26.2 | Very low | 29 | Very low | 97.3333 Ų | 97.3333 | 136 Ų | 136 | 63% | 0.632 | 67% | 0.665 | S | S | * | * | trans | -70.1 | 134.6 | 166.9 | 31.1 | -32.4 | 0 | 0 | 0 | 108.9 | Q3228 Y3232 | Q3228-P3230 WeakPolarHBondContact O-CD 3.46Å; P3230-Y3232 HydrophobicContact CB-CD2 3.23Å; P3230-Y3232 HydrophobicContact CB-CE2 3.24Å; P3230-Y3232 HydrophobicContact CB-CG 4.03Å; P3230-Y3232 HydrophobicContact CG-CD2 3.26Å; P3230-Y3232 HydrophobicContact CG-CE2 3.44Å; P3230-Y3232 VanDerWaalsContact CG-CE2 3.44Å; P3230-Y3232 HydrophobicContact CG-CG 4.34Å; P3230-Y3232 PolarHBondContact O-N 3.3Å | ||
| 3231 | Y | 24.7 | Very low | 28.6 | Very low | 212 Ų | 212 | 138.5 Ų | 138.5 | 83% | 0.831 | 68% | 0.682 | S | S | * | * | trans | -58.9 | 97.4 | 179 | -80.7 | -99.1 | 0 | 0 | 0 | 112.4 | Q3229 H3233 | Q3229-Y3231 PolarHBondContact O-N 2.9Å; Q3229-Y3231 VanDerWaalsContact O-N 3.08Å; Y3231-H3233 AromaticContact CD1-CE1 3.91Å; Y3231-H3233 AromaticContact CD1-NE2 3.34Å; Y3231-H3233 VanDerWaalsContact CD1-NE2 3.34Å; Y3231-H3233 WeakPolarHBondContact CD1-NE2 3.44Å; Y3231-H3233 PolarHBondContact O-N 3.26Å | ||
| 3232 | Y | 26.6 | Very low | 28.1 | Very low | 187.333 Ų | 187.333 | 139.6 Ų | 139.6 | 74% | 0.735 | 70% | 0.702 | S | S | * | * | trans | -113.1 | 78.6 | 165 | -86 | -72.1 | 0 | 0 | 0 | 109.7 | R2605 P3230 | R2605-Y3232 PolarHBondContact NH2-OH 3.24Å; P3230-Y3232 HydrophobicContact CB-CD2 3.23Å; P3230-Y3232 HydrophobicContact CB-CE2 3.24Å; P3230-Y3232 HydrophobicContact CB-CG 4.03Å; P3230-Y3232 HydrophobicContact CG-CD2 3.26Å; P3230-Y3232 HydrophobicContact CG-CE2 3.44Å; P3230-Y3232 VanDerWaalsContact CG-CE2 3.44Å; P3230-Y3232 HydrophobicContact CG-CG 4.34Å; P3230-Y3232 PolarHBondContact O-N 3.3Å | ||
| 3233 | H | 28.8 | Very low | 27.8 | Very low | 163.667 Ų | 163.667 | 141.8 Ų | 141.8 | 76% | 0.758 | 71% | 0.714 | S | S | * | * | trans | -147.7 | 103.6 | 151.8 | -88.4 | -67.3 | 0 | 0 | 0 | 110.8 | Y3231 F3429 | Y3231-H3233 AromaticContact CD1-CE1 3.91Å; Y3231-H3233 AromaticContact CD1-NE2 3.34Å; Y3231-H3233 VanDerWaalsContact CD1-NE2 3.34Å; Y3231-H3233 WeakPolarHBondContact CD1-NE2 3.44Å; Y3231-H3233 PolarHBondContact O-N 3.26Å; H3233-F3429 AromaticContact NE2-CE1 3.94Å; H3233-F3429 AromaticContact NE2-CZ 3.45Å; H3233-F3429 WeakPolarHBondContact NE2-CZ 3.46Å | ||
| 3234 | Q | 26 | Very low | 27.7 | Very low | 162.667 Ų | 162.667 | 139.3 Ų | 139.3 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | trans | -93.5 | 134.2 | 154.9 | -81.7 | -171.3 | -22.9 | 0 | 0 | 109.8 | Y3236 | Q3234-Y3236 HydrophobicContact CB-CD2 4.34Å; Q3234-Y3236 PolarHBondContact O-N 2.91Å | ||
| 3235 | P | 27.3 | Very low | 27.6 | Very low | 114.333 Ų | 114.333 | 140.9 Ų | 140.9 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | trans | -79 | 120 | 172.7 | 30.8 | -29.7 | 0 | 0 | 0 | 110.4 | ||||
| 3236 | Y | 27.3 | Very low | 27.6 | Very low | 180.333 Ų | 180.333 | 139.8 Ų | 139.8 | 71% | 0.707 | 73% | 0.734 | S | S | * | * | trans | -88.2 | 114.1 | 162.3 | -90.3 | -78.7 | 0 | 0 | 0 | 114.2 | W2915 E2919 Q3234 | W2915-Y3236 HydrophobicContact CZ3-CE1 4.39Å; E2919-Y3236 HydrophobicContact CG-CE2 4.05Å; E2919-Y3236 WeakPolarHBondContact OE1-CE2 3.48Å; E2919-Y3236 VanDerWaalsContact OE1-CZ 3.28Å; E2919-Y3236 PolarHBondContact OE1-OH 3.44Å; E2919-Y3236 WeakPolarHBondContact OE2-CE2 3.44Å; E2919-Y3236 PolarHBondContact OE2-OH 2.69Å; Q3234-Y3236 HydrophobicContact CB-CD2 4.34Å; Q3234-Y3236 PolarHBondContact O-N 2.91Å | ||
| 3237 | S | 27.2 | Very low | 27.5 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -151.1 | 102.8 | 151 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3238 | T | 27 | Very low | 27.6 | Very low | 125.333 Ų | 125.333 | 134.1 Ų | 134.1 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -134.2 | 88 | 150.2 | 35.2 | 0 | 0 | 0 | 0 | 113.6 | W2872 R3240 | W2872-T3238 HydrophobicContact CZ3-CG2 4.43Å; T3238-R3240 PolarHBondContact O-N 3.42Å | ||
| 3239 | I | 29.2 | Very low | 27.6 | Very low | 119.333 Ų | 119.333 | 136.1 Ų | 136.1 | 61% | 0.612 | 74% | 0.737 | S | S | * | * | trans | -69.4 | 114.4 | 151.9 | -60.3 | 170.3 | 0 | 0 | 0 | 111 | W2852 W2872 S3241 | W2852-I3239 HydrophobicContact CZ2-CG2 3.73Å; W2872-I3239 HydrophobicContact CH2-CD1 3.45Å; W2872-I3239 VanDerWaalsContact CH2-CD1 3.45Å; W2872-I3239 HydrophobicContact CH2-CG1 3.71Å; W2872-I3239 HydrophobicContact CZ2-CD1 4.44Å; W2872-I3239 HydrophobicContact CZ3-CD1 3.97Å; W2872-I3239 HydrophobicContact CZ3-CG1 3.71Å; I3239-S3241 PolarHBondContact O-N 3.2Å | ||
| 3240 | R | 28.5 | Very low | 27.9 | Very low | 194.333 Ų | 194.333 | 134.3 Ų | 134.3 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -96 | 135.5 | 147.6 | -119.4 | 163.9 | -174.7 | -140.1 | -1.2 | 111.2 | W2852 L2865 R2866 T3238 G3242 | W2852-R3240 VanDerWaalsContact CZ2-CZ 3.48Å; L2865-R3240 VanDerWaalsContact CB-CZ 3.41Å; L2865-R3240 PolarHBondContact O-NH2 3.41Å; R2866-R3240 VanDerWaalsContact O-CZ 3.29Å; R2866-R3240 PolarHBondContact O-NH1 3.05Å; R2866-R3240 PolarHBondContact O-NH2 2.94Å; T3238-R3240 PolarHBondContact O-N 3.42Å; R3240-G3242 PolarHBondContact O-N 2.76Å | ||
| 3241 | S | 28.7 | Very low | 27.9 | Very low | 102.667 Ų | 102.667 | 137.2 Ų | 137.2 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | trans | -85 | 138.1 | 172.5 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | I3239 | I3239-S3241 PolarHBondContact O-N 3.2Š| ||
| 3242 | G | 27.9 | Very low | 28 | Very low | 75 Ų | 75 | 134.1 Ų | 134.1 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 178.1 | 92.7 | 170 | 0 | 0 | 0 | 0 | 0 | 114.1 | R3240 | R3240-G3242 PolarHBondContact O-N 2.76Š| ||
| 3243 | N | 28 | Very low | 28 | Very low | 159.667 Ų | 159.667 | 129.6 Ų | 129.6 | 85% | 0.854 | 74% | 0.743 | S | S | * | * | trans | -118.8 | 152.9 | 156.6 | -99.8 | -10.5 | 0 | 0 | 0 | 111 | ||||
| 3244 | P | 31.5 | Very low | 27.9 | Very low | 106.333 Ų | 106.333 | 126.2 Ų | 126.2 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | cis | -126.4 | 166.2 | 38.3 | 38.8 | -22 | 0 | 0 | 0 | 114.8 | ||||
| 3245 | S | 27.9 | Very low | 28 | Very low | 102.333 Ų | 102.333 | 124.8 Ų | 124.8 | 72% | 0.716 | 75% | 0.746 | S | S | * | * | trans | 120.1 | 128.3 | 143.2 | 55.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 3246 | S | 28.1 | Very low | 28.1 | Very low | 107.667 Ų | 107.667 | 124.9 Ų | 124.9 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | 68.4 | 111.3 | 147.9 | 55.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 3247 | S | 28.2 | Very low | 28.1 | Very low | 107.667 Ų | 107.667 | 121.3 Ų | 121.3 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | 113.9 | 119.4 | 110 | 50.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 3248 | S | 28.7 | Very low | 28 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | 71.8 | 112.7 | 126.6 | 60 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 3249 | F | 25.9 | Very low | 28 | Very low | 197.333 Ų | 197.333 | 125.9 Ų | 125.9 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | 70.5 | 155.5 | 125.2 | -75.6 | -67.4 | 0 | 0 | 0 | 116.5 | |||||
| 3250 | P | 32.1 | Very low | 27.8 | Very low | 107.333 Ų | 107.333 | 127.8 Ų | 127.8 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | -137.4 | -174.3 | -58.9 | 31.1 | -8.4 | 0 | 0 | 0 | 115.1 | |||||
| 3251 | M | 25.9 | Very low | 28 | Very low | 158.667 Ų | 158.667 | 123.2 Ų | 123.2 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | 38.5 | 130.5 | 152.6 | -78.5 | -175.6 | 163.5 | 0 | 0 | 119.8 | ||||
| 3252 | N | 27.3 | Very low | 27.7 | Very low | 147 Ų | 147 | 124 Ų | 124 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | 162.4 | 132.4 | 113.1 | -88.8 | -17.9 | 0 | 0 | 0 | 113.2 | |||||
| 3253 | A | 27 | Very low | 27.7 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | 100.5 | 138.8 | 75.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 3254 | A | 27.3 | Very low | 27.6 | Very low | 92.6667 Ų | 92.6667 | 124.8 Ų | 124.8 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | trans | 68.1 | 113.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 3255 | V | 27 | Very low | 27.3 | Very low | 134.667 Ų | 134.667 | 124.9 Ų | 124.9 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | 116.4 | 130.4 | 64.5 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 3256 | P | 30 | Very low | 27.4 | Very low | 114.667 Ų | 114.667 | 125.1 Ų | 125.1 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | -122.1 | 160.7 | -99.3 | 36.7 | -20.6 | 0 | 0 | 0 | 112.9 | |||||
| 3257 | S | 26.2 | Very low | 27.2 | Very low | 105.333 Ų | 105.333 | 125.1 Ų | 125.1 | 74% | 0.737 | 74% | 0.736 | S | S | * | * | trans | 154.2 | 147.5 | 153.8 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3258 | T | 25.7 | Very low | 27.2 | Very low | 120.333 Ų | 120.333 | 124 Ų | 124 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | -131.3 | 133.4 | 152.6 | -29.8 | 0 | 0 | 0 | 0 | 113.9 | Q3260 | T3258-Q3260 PolarHBondContact O-N 3.22Å; T3258-Q3260 VanDerWaalsContact O-N 3.14Å | ||
| 3259 | F | 26.9 | Very low | 27.1 | Very low | 200 Ų | 200 | 124.2 Ų | 124.2 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | trans | -100.6 | 114.8 | 150.3 | -89.5 | -74 | 0 | 0 | 0 | 114.7 | ||||
| 3260 | Q | 25.7 | Very low | 27.2 | Very low | 159.667 Ų | 159.667 | 119.9 Ų | 119.9 | 75% | 0.746 | 73% | 0.729 | S | S | * | * | trans | -164.2 | 164.5 | 156 | -99.7 | -155.3 | -34.3 | 0 | 0 | 112.6 | T3258 M3262 | T3258-Q3260 PolarHBondContact O-N 3.22Å; T3258-Q3260 VanDerWaalsContact O-N 3.14Å; Q3260-M3262 PolarHBondContact O-N 2.86Å; Q3260-M3262 VanDerWaalsContact O-N 3.14Å | ||
| 3261 | P | 31.2 | Very low | 26.9 | Very low | 97.3333 Ų | 97.3333 | 120 Ų | 120 | 63% | 0.632 | 73% | 0.733 | S | S | * | * | trans | -81.2 | 158.9 | -135.8 | 12.6 | -3.8 | 0 | 0 | 0 | 113.6 | M3263 | P3261-M3263 PolarHBondContact O-N 3.44Š| ||
| 3262 | M | 24.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 118 Ų | 118 | 59% | 0.591 | 73% | 0.73 | S | S | * | * | -134.9 | 141 | 121.4 | -110.6 | 172.4 | 153.6 | 0 | 0 | 112.7 | Q3260 | Q3260-M3262 PolarHBondContact O-N 2.86Å; Q3260-M3262 VanDerWaalsContact O-N 3.14Å | |||
| 3263 | M | 26.2 | Very low | 26.9 | Very low | 134.333 Ų | 134.333 | 116.7 Ų | 116.7 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | trans | -38 | 120.5 | 152.7 | -90.9 | -164.9 | -174 | 0 | 0 | 116.7 | P3261 | P3261-M3263 PolarHBondContact O-N 3.44Š| ||
| 3264 | T | 25.6 | Very low | 26.9 | Very low | 116.667 Ų | 116.667 | 119.6 Ų | 119.6 | 72% | 0.716 | 73% | 0.729 | S | S | * | * | -160.5 | 133.4 | 122.9 | 37.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 3265 | V | 26.8 | Very low | 26.8 | Very low | 109.333 Ų | 109.333 | 124.8 Ų | 124.8 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | trans | -143.3 | 146.3 | 148 | -166.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3266 | P | 29.4 | Very low | 26.9 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | cis | -122.2 | 177.7 | -19.8 | 25.5 | -6.3 | 0 | 0 | 0 | 115.2 | ||||
| 3267 | S | 24.8 | Very low | 26.8 | Very low | 108.333 Ų | 108.333 | 124 Ų | 124 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | trans | 43.5 | 142.7 | 159.5 | 66.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 3268 | A | 27.2 | Very low | 26.9 | Very low | 85.3333 Ų | 85.3333 | 125.4 Ų | 125.4 | 71% | 0.705 | 73% | 0.734 | S | S | * | * | cis | -161 | 153.6 | 33.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 3269 | S | 26.7 | Very low | 27 | Very low | 102.333 Ų | 102.333 | 126.1 Ų | 126.1 | 72% | 0.716 | 73% | 0.734 | S | S | * | * | trans | -11.9 | 132 | 159.7 | 54.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 3270 | S | 26.8 | Very low | 27 | Very low | 106.667 Ų | 106.667 | 122.8 Ų | 122.8 | 75% | 0.746 | 73% | 0.725 | S | S | * | * | 145.5 | 122.4 | 97.8 | 58.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 3271 | S | 25.9 | Very low | 27.2 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | trans | -179 | 121.7 | 133.4 | 55.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3272 | T | 27.2 | Very low | 27.1 | Very low | 118.333 Ų | 118.333 | 123.3 Ų | 123.3 | 73% | 0.726 | 73% | 0.727 | S | S | * | * | trans | 116.6 | 111.4 | 138.4 | -25.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3273 | T | 26.6 | Very low | 27.3 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | trans | 40.9 | 138.5 | 143.9 | 52 | 0 | 0 | 0 | 0 | 115.2 | F2927 | F2927-T3273 HydrophobicContact CZ-CG2 4.46Š| ||
| 3274 | L | 26.7 | Very low | 27.3 | Very low | 152.333 Ų | 152.333 | 129.5 Ų | 129.5 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -153.2 | 131.7 | 158.2 | -83.3 | 156 | 0 | 0 | 0 | 114.4 | ||||
| 3275 | Y | 26.4 | Very low | 27.3 | Very low | 203 Ų | 203 | 129.1 Ų | 129.1 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | -94.8 | 143.1 | 153.4 | -85 | -77.9 | 0 | 0 | 0 | 111.6 | ||||
| 3276 | P | 28.9 | Very low | 27.3 | Very low | 122.667 Ų | 122.667 | 130.2 Ų | 130.2 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -109.8 | 153.6 | 143.9 | 36.2 | -26 | 0 | 0 | 0 | 114.8 | ||||
| 3277 | S | 26.7 | Very low | 27.1 | Very low | 109.333 Ų | 109.333 | 130.7 Ų | 130.7 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | -92.6 | 155.4 | 173.4 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3278 | V | 28.4 | Very low | 27.2 | Very low | 133.667 Ų | 133.667 | 133.2 Ų | 133.2 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -104.1 | 127.7 | 166 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3279 | N | 27.7 | Very low | 27 | Very low | 136.333 Ų | 136.333 | 134.3 Ų | 134.3 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | -79.7 | 136.9 | 156.1 | -91.7 | -26.2 | 0 | 0 | 0 | 114.9 | ||||
| 3280 | N | 28.4 | Very low | 26.9 | Very low | 129.333 Ų | 129.333 | 135.2 Ų | 135.2 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | -149.6 | 132.5 | 103.5 | -99.7 | -19.3 | 0 | 0 | 0 | 111.6 | |||||
| 3281 | N | 29 | Very low | 26.8 | Very low | 134.333 Ų | 134.333 | 135.1 Ų | 135.1 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | 82.8 | 119.7 | 140.8 | -74.5 | -28.9 | 0 | 0 | 0 | 116.9 | ||||
| 3282 | N | 28.9 | Very low | 26.9 | Very low | 133.333 Ų | 133.333 | 135 Ų | 135 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -122.9 | 139 | 135.3 | -75.6 | -23.1 | 0 | 0 | 0 | 115.3 | W2871 | W2871-N3282 WeakPolarHBondContact CH2-ND2 3.45Š| ||
| 3283 | N | 28 | Very low | 26.7 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 165 | 126 | 153.7 | -67.3 | -35.1 | 0 | 0 | 0 | 114.4 | ||||
| 3284 | R | 27.2 | Very low | 26.7 | Very low | 235 Ų | 235 | 135.9 Ų | 135.9 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | -179.8 | 110.4 | 126 | -99.9 | 174.5 | 173.4 | -178.4 | -2.5 | 116 | |||||
| 3285 | S | 24.8 | Very low | 26.9 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 3.5 | 111.4 | 138.6 | 55.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 3286 | T | 27.7 | Very low | 27.2 | Very low | 131.333 Ų | 131.333 | 128.7 Ų | 128.7 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | -146.5 | 136.5 | 140.2 | 35.3 | 0 | 0 | 0 | 0 | 109.6 | L3288 | T3286-L3288 PolarHBondContact O-N 3.08Š| ||
| 3287 | S | 24.7 | Very low | 27.8 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -82.2 | 128.8 | -175.3 | 44.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3288 | L | 26.7 | Very low | 28.8 | Very low | 160.667 Ų | 160.667 | 122.4 Ų | 122.4 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -118.3 | 135.7 | 158.7 | -91.1 | 137 | 0 | 0 | 0 | 110.1 | T3286 S3290 | T3286-L3288 PolarHBondContact O-N 3.08Å; L3288-S3290 PolarHBondContact O-N 3.47Å | ||
| 3289 | P | 24.4 | Very low | 30.6 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | trans | -86 | 141.1 | -158 | 31.3 | -28 | 0 | 0 | 0 | 110.3 | S3291 | P3289-S3291 PolarHBondContact O-N 3.39Å; P3289-S3291 VanDerWaalsContact O-N 3.15Å | ||
| 3290 | S | 23.5 | Very low | 32.7 | Very low | 122 Ų | 122 | 111.2 Ų | 111.2 | 85% | 0.853 | 65% | 0.652 | S | S | * | * | trans | -71.2 | 98.4 | 170.5 | 46.7 | 0 | 0 | 0 | 0 | 110 | L3288 S3292 | L3288-S3290 PolarHBondContact O-N 3.47Å; S3290-S3292 VanDerWaalsContact C-N 3.3Å; S3290-S3292 PolarHBondContact O-N 3.37Å | ||
| 3291 | S | 25.7 | Very low | 35 | Very low | 105.333 Ų | 105.333 | 106.1 Ų | 106.1 | 74% | 0.737 | 63% | 0.625 | S | S | * | * | trans | -85.5 | 99.5 | 167.9 | 51.2 | 0 | 0 | 0 | 0 | 109.9 | P3289 L3293 | P3289-S3291 PolarHBondContact O-N 3.39Å; P3289-S3291 VanDerWaalsContact O-N 3.15Å; S3291-L3293 PolarHBondContact O-N 3.02Å | ||
| 3292 | S | 26.5 | Very low | 37.2 | Very low | 105.667 Ų | 105.667 | 100.7 Ų | 100.7 | 74% | 0.739 | 60% | 0.596 | S | S | * | * | trans | -57.6 | 117 | 165 | 47.6 | 0 | 0 | 0 | 0 | 109 | S3290 P3294 | S3290-S3292 VanDerWaalsContact C-N 3.3Å; S3290-S3292 PolarHBondContact O-N 3.37Å; S3292-P3294 VanDerWaalsContact O-CD 3.27Å; S3292-P3294 WeakPolarHBondContact O-CD 3.46Å; S3292-P3294 VanDerWaalsContact O-N 3.11Å | ||
| 3293 | L | 24.5 | Very low | 39.7 | Very low | 148 Ų | 148 | 94.6 Ų | 94.6 | 78% | 0.775 | 56% | 0.564 | S | S | * | * | trans | -52.8 | 121.8 | 170.7 | -128.8 | 77.8 | 0 | 0 | 0 | 107.9 | S3291 T3295 | S3291-L3293 PolarHBondContact O-N 3.02Å; L3293-T3295 PolarHBondContact O-N 3.09Å | ||
| 3294 | P | 26.4 | Very low | 42.2 | Very low | 107.333 Ų | 107.333 | 87.7 Ų | 87.7 | 70% | 0.697 | 53% | 0.527 | S | S | * | . | trans | -64.4 | 120.3 | 173.3 | 11.5 | -10.2 | 0 | 0 | 0 | 107.5 | S3292 V3296 | S3292-P3294 VanDerWaalsContact O-CD 3.27Å; S3292-P3294 WeakPolarHBondContact O-CD 3.46Å; S3292-P3294 VanDerWaalsContact O-N 3.11Å; P3294-V3296 HydrophobicContact CB-CG2 3.73Å; P3294-V3296 HydrophobicContact CG-CG2 3.81Å; P3294-V3296 WeakPolarHBondContact O-CG2 3.29Å; P3294-V3296 PolarHBondContact O-N 3.15Å | ||
| 3295 | T | 29.4 | Very low | 44.8 | Very low | 112.333 Ų | 112.333 | 77.7 Ų | 77.7 | 69% | 0.689 | 49% | 0.49 | S | S | * | . | trans | -62.9 | 100.3 | 168.9 | 20.9 | 0 | 0 | 0 | 0 | 107.2 | L3293 C3297 P3298 | L3293-T3295 PolarHBondContact O-N 3.09Å; T3295-C3297 VanDerWaalsContact C-N 3.35Å; T3295-C3297 PolarHBondContact O-N 3.27Å; T3295-C3297 PolarHBondContact O-SG 3.02Å; T3295-P3298 WeakPolarHBondContact O-CD 3.32Å | ||
| 3296 | V | 34.5 | Very low | 47.7 | Very low | 91.6667 Ų | 91.6667 | 72.7 Ų | 72.7 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | trans | -60.6 | 81 | -171.3 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | A3218 P3294 P3298 V3347 | A3218-V3296 WeakPolarHBondContact CB-O 3.46Å; P3294-V3296 HydrophobicContact CB-CG2 3.73Å; P3294-V3296 HydrophobicContact CG-CG2 3.81Å; P3294-V3296 WeakPolarHBondContact O-CG2 3.29Å; P3294-V3296 PolarHBondContact O-N 3.15Å; V3296-P3298 WeakPolarHBondContact O-CD 3.46Å; V3296-P3298 VanDerWaalsContact O-N 3.09Å; V3296-V3347 HydrophobicContact CG1-CG2 3.84Å | ||
| 3297 | C | 40.3 | Very low | 50.5 | Low | 48.3333 Ų | 48.3333 | 66.5 Ų | 66.5 | 33% | 0.327 | 42% | 0.417 | S | S | . | . | trans | -90.7 | 97.4 | -174.9 | -96.6 | 0 | 0 | 0 | 0 | 112.5 | T3295 S3299 S3300 M3343 I3464 | T3295-C3297 VanDerWaalsContact C-N 3.35Å; T3295-C3297 PolarHBondContact O-N 3.27Å; T3295-C3297 PolarHBondContact O-SG 3.02Å; C3297-S3299 VanDerWaalsContact C-N 3.26Å; C3297-S3299 PolarHBondContact O-N 3.16Å; C3297-S3299 PolarHBondContact SG-OG 2.9Å; C3297-S3300 PolarHBondContact O-N 3.06Å; C3297-M3343 HydrophobicContact CB-CE 3.86Å; C3297-M3343 VanDerWaalsContact SG-CE 3.56Å; C3297-I3464 HydrophobicContact CB-CG2 4.32Å | ||
| 3298 | P | 48.7 | Very low | 53.5 | Low | 51 Ų | 51 | 61.1 Ų | 61.1 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 2.5 | -177.1 | -1.1 | 9.8 | 0 | 0 | 0 | 111.5 | F3017 A3218 T3295 V3296 S3300 V3301 I3302 | F3017-P3298 HydrophobicContact CD1-CB 4.35Å; F3017-P3298 HydrophobicContact CD1-CG 4.4Å; A3218-P3298 HydrophobicContact CB-CG 3.76Å; T3295-P3298 WeakPolarHBondContact O-CD 3.32Å; V3296-P3298 WeakPolarHBondContact O-CD 3.46Å; V3296-P3298 VanDerWaalsContact O-N 3.09Å; P3298-S3300 VanDerWaalsContact C-N 3.31Å; P3298-S3300 PolarHBondContact O-N 3.25Å; P3298-V3301 PolarHBondContact O-N 3.28Å; P3298-I3302 HydrophobicContact CB-CB 4.28Å; P3298-I3302 HydrophobicContact CB-CD1 4.3Å; P3298-I3302 HydrophobicContact CB-CG2 4.24Å; P3298-I3302 VanDerWaalsContact O-CD1 3.29Å; P3298-I3302 WeakPolarHBondContact O-CD1 3.43Å; P3298-I3302 WeakPolarHBondContact O-CG1 3.34Å; P3298-I3302 PolarHBondContact O-N 3.18Å |
| 3299 | S | 65.8 | Low | 56.3 | Low | 25 Ų | 25 | 54.3 Ų | 54.3 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.3 | -59.9 | -179.3 | 68.1 | 0 | 0 | 0 | 0 | 112.9 | N3215 C3297 V3301 I3302 W3303 Y3340 | N3215-S3299 PolarHBondContact ND2-OG 3.39Å; C3297-S3299 VanDerWaalsContact C-N 3.26Å; C3297-S3299 PolarHBondContact O-N 3.16Å; C3297-S3299 PolarHBondContact SG-OG 2.9Å; S3299-V3301 VanDerWaalsContact C-N 3.33Å; S3299-V3301 PolarHBondContact O-N 3.27Å; S3299-I3302 WeakPolarHBondContact O-CB 3.43Å; S3299-I3302 PolarHBondContact O-N 2.94Å; S3299-W3303 VanDerWaalsContact C-CD1 3.49Å; S3299-W3303 WeakPolarHBondContact O-CB 3.43Å; S3299-W3303 VanDerWaalsContact O-CG 3.24Å; S3299-W3303 PolarHBondContact O-N 3.24Å; S3299-W3303 VanDerWaalsContact O-N 3.09Å; S3299-Y3340 PolarHBondContact OG-OH 3.45Å |
| 3300 | S | 72.5 | Confident | 59.3 | Low | 11.3333 Ų | 11.3333 | 49.2 Ų | 49.2 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.3 | -38.6 | -177.4 | 156.8 | 0 | 0 | 0 | 0 | 112.6 | C3297 P3298 W3303 A3304 L3344 T3346 T3465 S3467 G3468 | C3297-S3300 PolarHBondContact O-N 3.06Å; P3298-S3300 VanDerWaalsContact C-N 3.31Å; P3298-S3300 PolarHBondContact O-N 3.25Å; S3300-W3303 CarbonylContact O-C 3.48Å; S3300-W3303 WeakPolarHBondContact O-CB 3.32Å; S3300-W3303 PolarHBondContact O-N 3.1Å; S3300-A3304 WeakPolarHBondContact O-CB 3.48Å; S3300-A3304 PolarHBondContact O-N 3.05Å; S3300-L3344 PolarHBondContact OG-O 2.73Å; S3300-T3346 PolarHBondContact N-O 2.86Å; S3300-T3465 VanDerWaalsContact CB-O 3.23Å; S3300-T3465 WeakPolarHBondContact CB-O 3.35Å; S3300-T3465 PolarHBondContact OG-O 3.35Å; S3300-S3467 PolarHBondContact OG-N 2.85Å; S3300-S3467 PolarHBondContact OG-OG 3.49Å; S3300-G3468 VanDerWaalsContact O-CA 3.25Å; S3300-G3468 WeakPolarHBondContact O-CA 3.44Å; S3300-G3468 PolarHBondContact O-N 2.87Å; S3300-G3468 PolarHBondContact OG-N 3.32Å; S3300-G3468 VanDerWaalsContact OG-N 3.12Å |
| 3301 | V | 74.8 | Confident | 62.5 | Low | 21.3333 Ų | 21.3333 | 44.1 Ų | 44.1 | 13% | 0.129 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 177.5 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | P3298 S3299 W3303 A3304 Q3305 A3411 T3414 I3464 | P3298-V3301 PolarHBondContact O-N 3.28Å; S3299-V3301 VanDerWaalsContact C-N 3.33Å; S3299-V3301 PolarHBondContact O-N 3.27Å; V3301-W3303 VanDerWaalsContact C-N 3.28Å; V3301-W3303 PolarHBondContact O-N 3.28Å; V3301-A3304 VanDerWaalsContact O-CB 3.3Å; V3301-A3304 WeakPolarHBondContact O-CB 3.43Å; V3301-A3304 PolarHBondContact O-N 3.22Å; V3301-A3304 VanDerWaalsContact O-N 3.16Å; V3301-Q3305 WeakPolarHBondContact O-CG 3.33Å; V3301-Q3305 PolarHBondContact O-N 3.24Å; V3301-A3411 VanDerWaalsContact CG1-CA 3.41Å; V3301-A3411 HydrophobicContact CG1-CB 3.36Å; V3301-A3411 VanDerWaalsContact CG1-CB 3.43Å; V3301-T3414 HydrophobicContact CG2-CG2 3.91Å; V3301-I3464 HydrophobicContact CG2-CG2 3.84Å |
| 3302 | I | 76.5 | Confident | 65.4 | Low | 20.6667 Ų | 20.6667 | 40.6 Ų | 40.6 | 11% | 0.106 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.6 | -42 | 177.2 | -65.2 | 171.5 | 0 | 0 | 0 | 109.9 | Q3016 F3017 P3022 E3023 P3298 S3299 A3304 Q3305 Y3306 | Q3016-I3302 WeakPolarHBondContact O-CG2 3.45Å; F3017-I3302 HydrophobicContact CB-CG2 4.43Å; F3017-I3302 HydrophobicContact CD1-CG2 3.59Å; F3017-I3302 HydrophobicContact CE1-CG2 4.17Å; F3017-I3302 HydrophobicContact CG-CG2 4.34Å; P3022-I3302 HydrophobicContact CB-CD1 4.25Å; P3022-I3302 HydrophobicContact CG-CD1 3.41Å; P3022-I3302 VanDerWaalsContact CG-CD1 3.41Å; E3023-I3302 HydrophobicContact CG-CD1 4.22Å; E3023-I3302 WeakPolarHBondContact OE1-CD1 3.34Å; P3298-I3302 HydrophobicContact CB-CB 4.28Å; P3298-I3302 HydrophobicContact CB-CD1 4.3Å; P3298-I3302 HydrophobicContact CB-CG2 4.24Å; P3298-I3302 VanDerWaalsContact O-CD1 3.29Å; P3298-I3302 WeakPolarHBondContact O-CD1 3.43Å; P3298-I3302 WeakPolarHBondContact O-CG1 3.34Å; P3298-I3302 PolarHBondContact O-N 3.18Å; S3299-I3302 WeakPolarHBondContact O-CB 3.43Å; S3299-I3302 PolarHBondContact O-N 2.94Å; I3302-A3304 VanDerWaalsContact C-N 3.33Å; I3302-A3304 PolarHBondContact O-N 3.47Å; I3302-Q3305 WeakPolarHBondContact O-CB 3.37Å; I3302-Q3305 PolarHBondContact O-N 3.2Å; I3302-Y3306 HydrophobicContact CG2-CD2 4.35Å; I3302-Y3306 HydrophobicContact CG2-CE1 4.11Å; I3302-Y3306 HydrophobicContact CG2-CE2 3.86Å; I3302-Y3306 PolarHBondContact O-N 3.11Å |
| 3303 | W | 80.5 | Confident | 68.3 | Low | 6.33333 Ų | 6.33333 | 35.9 Ų | 35.9 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 173.1 | -72.7 | 119.2 | 0 | 0 | 0 | 112.3 | F3017 L3210 S3213 P3214 L3217 S3299 S3300 V3301 Q3305 Y3306 F3307 Y3336 L3344 | F3017-W3303 HydrophobicContact CE1-CD2 4.2Å; F3017-W3303 AromaticContact CE1-CE3 3.96Å; F3017-W3303 HydrophobicContact CE1-CE3 4.09Å; F3017-W3303 AromaticContact CE1-CH2 3.79Å; F3017-W3303 HydrophobicContact CE1-CH2 3.79Å; F3017-W3303 AromaticContact CE1-CZ2 3.86Å; F3017-W3303 HydrophobicContact CE1-CZ2 3.86Å; F3017-W3303 AromaticContact CE1-CZ3 3.9Å; F3017-W3303 HydrophobicContact CE1-CZ3 3.9Å; F3017-W3303 HydrophobicContact CZ-CE3 4.37Å; F3017-W3303 AromaticContact CZ-CH2 3.72Å; F3017-W3303 HydrophobicContact CZ-CH2 3.87Å; F3017-W3303 HydrophobicContact CZ-CZ2 4.23Å; F3017-W3303 AromaticContact CZ-CZ3 3.85Å; F3017-W3303 HydrophobicContact CZ-CZ3 3.85Å; L3210-W3303 HydrophobicContact CB-CZ3 4.42Å; L3210-W3303 HydrophobicContact CD2-CE3 3.43Å; L3210-W3303 VanDerWaalsContact CD2-CE3 3.43Å; L3210-W3303 HydrophobicContact CD2-CH2 4.48Å; L3210-W3303 HydrophobicContact CD2-CZ3 3.79Å; L3210-W3303 HydrophobicContact CG-CE3 4.25Å; L3210-W3303 HydrophobicContact CG-CZ3 3.78Å; S3213-W3303 WeakPolarHBondContact OG-CZ2 3.48Å; P3214-W3303 HydrophobicContact CB-CZ2 4.1Å; P3214-W3303 HydrophobicContact CG-CZ2 4.14Å; L3217-W3303 HydrophobicContact CB-CH2 4.36Å; L3217-W3303 HydrophobicContact CB-CZ2 4.08Å; L3217-W3303 HydrophobicContact CD1-CH2 3.52Å; L3217-W3303 VanDerWaalsContact CD1-CH2 3.48Å; L3217-W3303 HydrophobicContact CD1-CZ2 4.04Å; S3299-W3303 VanDerWaalsContact C-CD1 3.49Å; S3299-W3303 WeakPolarHBondContact O-CB 3.43Å; S3299-W3303 VanDerWaalsContact O-CG 3.24Å; S3299-W3303 PolarHBondContact O-N 3.24Å; S3299-W3303 VanDerWaalsContact O-N 3.09Å; S3300-W3303 CarbonylContact O-C 3.48Å; S3300-W3303 WeakPolarHBondContact O-CB 3.32Å; S3300-W3303 PolarHBondContact O-N 3.1Å; V3301-W3303 VanDerWaalsContact C-N 3.28Å; V3301-W3303 PolarHBondContact O-N 3.28Å; W3303-Q3305 VanDerWaalsContact C-N 3.31Å; W3303-Q3305 PolarHBondContact O-N 3.09Å; W3303-Y3306 HydrophobicContact CE3-CD1 4.22Å; W3303-Y3306 AromaticContact CE3-CD2 3.59Å; W3303-Y3306 HydrophobicContact CE3-CD2 3.59Å; W3303-Y3306 HydrophobicContact CE3-CE2 4.2Å; W3303-Y3306 HydrophobicContact CE3-CG 4.44Å; W3303-Y3306 HydrophobicContact CH2-CE2 4.49Å; W3303-Y3306 HydrophobicContact CZ3-CD1 4.03Å; W3303-Y3306 AromaticContact CZ3-CD2 3.55Å; W3303-Y3306 HydrophobicContact CZ3-CD2 3.55Å; W3303-Y3306 HydrophobicContact CZ3-CE1 4.38Å; W3303-Y3306 AromaticContact CZ3-CE2 3.84Å; W3303-Y3306 HydrophobicContact CZ3-CE2 3.84Å; W3303-Y3306 HydrophobicContact CZ3-CG 4.42Å; W3303-Y3306 PolarHBondContact O-N 3.14Å; W3303-F3307 HydrophobicContact CB-CD2 4.32Å; W3303-F3307 HydrophobicContact CB-CE2 3.9Å; W3303-F3307 HydrophobicContact CB-CZ 3.92Å; W3303-F3307 HydrophobicContact CD2-CE2 4.16Å; W3303-F3307 HydrophobicContact CD2-CZ 4.34Å; W3303-F3307 HydrophobicContact CE3-CD2 4.34Å; W3303-F3307 HydrophobicContact CE3-CE1 4.37Å; W3303-F3307 AromaticContact CE3-CE2 3.55Å; W3303-F3307 HydrophobicContact CE3-CE2 3.55Å; W3303-F3307 VanDerWaalsContact CE3-CE2 3.41Å; W3303-F3307 AromaticContact CE3-CZ 3.55Å; W3303-F3307 HydrophobicContact CE3-CZ 3.55Å; W3303-F3307 VanDerWaalsContact CE3-CZ 3.42Å; W3303-F3307 HydrophobicContact CG-CE2 4.35Å; W3303-F3307 HydrophobicContact CZ3-CE1 4.3Å; W3303-F3307 HydrophobicContact CZ3-CE2 4.21Å; W3303-F3307 AromaticContact CZ3-CZ 3.74Å; W3303-F3307 HydrophobicContact CZ3-CZ 3.91Å; W3303-F3307 WeakPolarHBondContact O-CB 3.35Å; W3303-F3307 WeakPolarHBondContact O-CD2 3.39Å; W3303-F3307 WeakPolarHBondContact O-CG 3.39Å; W3303-F3307 PolarHBondContact O-N 3.27Å; W3303-Y3336 HydrophobicContact CB-CE2 4.44Å; W3303-Y3336 AromaticContact CD1-CE2 3.66Å; W3303-Y3336 AromaticContact CD1-CZ 3.68Å; W3303-Y3336 AromaticContact CD2-CE2 3.81Å; W3303-Y3336 HydrophobicContact CD2-CE2 3.81Å; W3303-Y3336 AromaticContact CE2-CE2 3.9Å; W3303-Y3336 VanDerWaalsContact CE2-OH 3.22Å; W3303-Y3336 HydrophobicContact CE3-CE2 4.46Å; W3303-Y3336 AromaticContact CG-CE2 3.74Å; W3303-Y3336 HydrophobicContact CG-CE2 3.74Å; W3303-Y3336 AromaticContact CG-CZ 3.78Å; W3303-Y3336 AromaticContact CH2-CE1 3.83Å; W3303-Y3336 HydrophobicContact CH2-CE1 3.83Å; W3303-Y3336 AromaticContact CH2-CE2 3.97Å; W3303-Y3336 HydrophobicContact CH2-CE2 3.97Å; W3303-Y3336 AromaticContact CH2-CZ 3.84Å; W3303-Y3336 VanDerWaalsContact CH2-OH 3.25Å; W3303-Y3336 WeakPolarHBondContact CH2-OH 3.46Å; W3303-Y3336 HydrophobicContact CZ2-CE1 4.15Å; W3303-Y3336 HydrophobicContact CZ2-CE2 4.46Å; W3303-Y3336 WeakPolarHBondContact CZ2-OH 3.32Å; W3303-Y3336 HydrophobicContact CZ3-CE1 4.12Å; W3303-Y3336 HydrophobicContact CZ3-CE2 4.33Å; W3303-Y3336 AromaticContact NE1-CE2 3.75Å; W3303-L3344 HydrophobicContact CB-CD2 4.24Å; W3303-L3344 HydrophobicContact CD2-CD2 4.21Å; W3303-L3344 HydrophobicContact CG-CD2 3.97Å |
| 3304 | A | 81.7 | Confident | 71.2 | Confident | 3.66667 Ų | 3.66667 | 28.9 Ų | 28.9 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.2 | -45.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S3300 V3301 I3302 Y3306 F3307 A3308 A3407 Y3410 I3471 | S3300-A3304 WeakPolarHBondContact O-CB 3.48Å; S3300-A3304 PolarHBondContact O-N 3.05Å; V3301-A3304 VanDerWaalsContact O-CB 3.3Å; V3301-A3304 WeakPolarHBondContact O-CB 3.43Å; V3301-A3304 PolarHBondContact O-N 3.22Å; V3301-A3304 VanDerWaalsContact O-N 3.16Å; I3302-A3304 VanDerWaalsContact C-N 3.33Å; I3302-A3304 PolarHBondContact O-N 3.47Å; A3304-Y3306 VanDerWaalsContact C-N 3.32Å; A3304-Y3306 PolarHBondContact O-N 3.24Å; A3304-F3307 PolarHBondContact O-N 3.41Å; A3304-A3308 WeakPolarHBondContact O-CB 3.39Å; A3304-A3308 PolarHBondContact O-N 2.92Å; A3304-A3308 VanDerWaalsContact O-N 3.07Å; A3304-A3407 HydrophobicContact CB-CB 4.15Å; A3304-Y3410 HydrophobicContact CB-CD2 4.42Å; A3304-I3471 HydrophobicContact CB-CD1 3.92Å |
| 3305 | Q | 82.3 | Confident | 74 | Confident | 25 Ų | 25 | 27 Ų | 27 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.2 | -36.3 | 177 | -68.8 | -177.8 | -54 | 0 | 0 | 112.5 | P3022 R3025 V3301 I3302 W3303 A3308 I3309 A3407 | P3022-Q3305 PolarHBondContact O-NE2 3.27Å; R3025-Q3305 VanDerWaalsContact CZ-OE1 3.23Å; V3301-Q3305 WeakPolarHBondContact O-CG 3.33Å; V3301-Q3305 PolarHBondContact O-N 3.24Å; I3302-Q3305 WeakPolarHBondContact O-CB 3.37Å; I3302-Q3305 PolarHBondContact O-N 3.2Å; W3303-Q3305 VanDerWaalsContact C-N 3.31Å; W3303-Q3305 PolarHBondContact O-N 3.09Å; Q3305-A3308 PolarHBondContact O-N 2.9Å; Q3305-I3309 WeakPolarHBondContact O-CG1 3.32Å; Q3305-I3309 PolarHBondContact O-N 2.96Å; Q3305-A3407 HydrophobicContact CB-CB 4.31Å; Q3305-A3407 HydrophobicContact CG-CB 3.67Å |
| 3306 | Y | 84.9 | Confident | 76.6 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.1 | -48.3 | 175.7 | -144.2 | -65.7 | 0 | 0 | 0 | 112.5 | Q3016 F3017 F3026 I3206 Q3209 L3210 I3302 W3303 A3304 A3308 I3309 L3310 | Q3016-Y3306 HydrophobicContact CB-CD2 4.16Å; Q3016-Y3306 HydrophobicContact CB-CE2 4.29Å; Q3016-Y3306 HydrophobicContact CG-CD2 4.29Å; Q3016-Y3306 HydrophobicContact CG-CE2 4.41Å; F3017-Y3306 HydrophobicContact CE1-CD2 4.37Å; F3017-Y3306 HydrophobicContact CE1-CG 4.48Å; F3017-Y3306 AromaticContact CE2-CD2 3.59Å; F3017-Y3306 HydrophobicContact CE2-CD2 3.59Å; F3017-Y3306 AromaticContact CE2-CE2 3.67Å; F3017-Y3306 HydrophobicContact CE2-CE2 3.67Å; F3017-Y3306 VanDerWaalsContact CE2-CE2 3.46Å; F3017-Y3306 HydrophobicContact CE2-CG 4.4Å; F3017-Y3306 HydrophobicContact CZ-CD1 4.41Å; F3017-Y3306 AromaticContact CZ-CD2 3.41Å; F3017-Y3306 HydrophobicContact CZ-CD2 3.41Å; F3017-Y3306 VanDerWaalsContact CZ-CD2 3.44Å; F3017-Y3306 AromaticContact CZ-CE2 3.77Å; F3017-Y3306 HydrophobicContact CZ-CE2 3.77Å; F3017-Y3306 AromaticContact CZ-CG 3.77Å; F3017-Y3306 HydrophobicContact CZ-CG 3.77Å; F3026-Y3306 HydrophobicContact CD2-CE1 4.29Å; I3206-Y3306 WeakPolarHBondContact CA-OH 3.39Å; I3206-Y3306 HydrophobicContact CG1-CD1 4.49Å; I3206-Y3306 HydrophobicContact CG2-CD1 4.37Å; I3206-Y3306 HydrophobicContact CG2-CD2 4.36Å; I3206-Y3306 HydrophobicContact CG2-CE1 4.24Å; I3206-Y3306 HydrophobicContact CG2-CE2 3.92Å; I3206-Y3306 HydrophobicContact CG2-CG 4.01Å; I3206-Y3306 WeakPolarHBondContact CG2-OH 3.48Å; I3206-Y3306 PolarHBondContact O-OH 3.33Å; Q3209-Y3306 HydrophobicContact CB-CE2 4.44Å; Q3209-Y3306 WeakPolarHBondContact CB-OH 2.69Å; Q3209-Y3306 PolarHBondContact OE1-OH 3.19Å; L3210-Y3306 HydrophobicContact CD1-CE1 4.26Å; L3210-Y3306 HydrophobicContact CD2-CD1 4.24Å; L3210-Y3306 HydrophobicContact CD2-CE1 3.62Å; L3210-Y3306 HydrophobicContact CG-CE1 3.94Å; I3302-Y3306 HydrophobicContact CG2-CD2 4.35Å; I3302-Y3306 HydrophobicContact CG2-CE1 4.11Å; I3302-Y3306 HydrophobicContact CG2-CE2 3.86Å; I3302-Y3306 PolarHBondContact O-N 3.11Å; W3303-Y3306 HydrophobicContact CE3-CD1 4.22Å; W3303-Y3306 AromaticContact CE3-CD2 3.59Å; W3303-Y3306 HydrophobicContact CE3-CD2 3.59Å; W3303-Y3306 HydrophobicContact CE3-CE2 4.2Å; W3303-Y3306 HydrophobicContact CE3-CG 4.44Å; W3303-Y3306 HydrophobicContact CH2-CE2 4.49Å; W3303-Y3306 HydrophobicContact CZ3-CD1 4.03Å; W3303-Y3306 AromaticContact CZ3-CD2 3.55Å; W3303-Y3306 HydrophobicContact CZ3-CD2 3.55Å; W3303-Y3306 HydrophobicContact CZ3-CE1 4.38Å; W3303-Y3306 AromaticContact CZ3-CE2 3.84Å; W3303-Y3306 HydrophobicContact CZ3-CE2 3.84Å; W3303-Y3306 HydrophobicContact CZ3-CG 4.42Å; W3303-Y3306 PolarHBondContact O-N 3.14Å; A3304-Y3306 VanDerWaalsContact C-N 3.32Å; A3304-Y3306 PolarHBondContact O-N 3.24Å; Y3306-A3308 VanDerWaalsContact C-N 3.32Å; Y3306-A3308 PolarHBondContact O-N 2.86Å; Y3306-I3309 HydrophobicContact CD1-CD1 4.46Å; Y3306-I3309 WeakPolarHBondContact O-CB 3.42Å; Y3306-I3309 PolarHBondContact O-N 2.93Å; Y3306-I3309 VanDerWaalsContact O-N 3.14Å; Y3306-L3310 HydrophobicContact CE1-CD1 4.45Å; Y3306-L3310 WeakPolarHBondContact O-CB 3.36Å; Y3306-L3310 VanDerWaalsContact O-CG 3.29Å; Y3306-L3310 WeakPolarHBondContact O-CG 3.05Å; Y3306-L3310 PolarHBondContact O-N 3.42Å |
| 3307 | F | 87.3 | Confident | 78.8 | Confident | 1.33333 Ų | 1.33333 | 21.7 Ų | 21.7 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.7 | -31.3 | 178 | -62.7 | -49.1 | 0 | 0 | 0 | 112.1 | L3210 W3303 A3304 I3309 L3310 L3311 L3333 Y3336 L3344 I3471 L3472 | L3210-F3307 HydrophobicContact CD1-CE1 4.23Å; L3210-F3307 HydrophobicContact CD2-CE1 3.67Å; L3210-F3307 HydrophobicContact CD2-CZ 4.29Å; W3303-F3307 HydrophobicContact CB-CD2 4.32Å; W3303-F3307 HydrophobicContact CB-CE2 3.9Å; W3303-F3307 HydrophobicContact CB-CZ 3.92Å; W3303-F3307 HydrophobicContact CD2-CE2 4.16Å; W3303-F3307 HydrophobicContact CD2-CZ 4.34Å; W3303-F3307 HydrophobicContact CE3-CD2 4.34Å; W3303-F3307 HydrophobicContact CE3-CE1 4.37Å; W3303-F3307 AromaticContact CE3-CE2 3.55Å; W3303-F3307 HydrophobicContact CE3-CE2 3.55Å; W3303-F3307 VanDerWaalsContact CE3-CE2 3.41Å; W3303-F3307 AromaticContact CE3-CZ 3.55Å; W3303-F3307 HydrophobicContact CE3-CZ 3.55Å; W3303-F3307 VanDerWaalsContact CE3-CZ 3.42Å; W3303-F3307 HydrophobicContact CG-CE2 4.35Å; W3303-F3307 HydrophobicContact CZ3-CE1 4.3Å; W3303-F3307 HydrophobicContact CZ3-CE2 4.21Å; W3303-F3307 AromaticContact CZ3-CZ 3.74Å; W3303-F3307 HydrophobicContact CZ3-CZ 3.91Å; W3303-F3307 WeakPolarHBondContact O-CB 3.35Å; W3303-F3307 WeakPolarHBondContact O-CD2 3.39Å; W3303-F3307 WeakPolarHBondContact O-CG 3.39Å; W3303-F3307 PolarHBondContact O-N 3.27Å; A3304-F3307 PolarHBondContact O-N 3.41Å; F3307-I3309 PolarHBondContact O-N 3.32Å; F3307-L3310 PolarHBondContact O-N 3.16Å; F3307-L3310 VanDerWaalsContact O-N 3.14Å; F3307-L3311 VanDerWaalsContact O-CB 3.25Å; F3307-L3311 WeakPolarHBondContact O-CB 3.48Å; F3307-L3311 PolarHBondContact O-N 3.25Å; F3307-L3333 HydrophobicContact CD1-CD2 3.93Å; F3307-L3333 HydrophobicContact CE1-CD2 3.63Å; F3307-L3333 HydrophobicContact CZ-CD2 4.3Å; F3307-Y3336 HydrophobicContact CE2-CD1 4.45Å; F3307-Y3336 HydrophobicContact CE2-CE1 4.24Å; F3307-Y3336 AromaticContact CZ-CD1 3.79Å; F3307-Y3336 HydrophobicContact CZ-CD1 4.09Å; F3307-Y3336 AromaticContact CZ-CE1 3.75Å; F3307-Y3336 HydrophobicContact CZ-CE1 3.98Å; F3307-Y3336 HydrophobicContact CZ-CE2 4.45Å; F3307-Y3336 HydrophobicContact CZ-CG 4.26Å; F3307-L3344 HydrophobicContact CE2-CD2 3.77Å; F3307-L3344 HydrophobicContact CZ-CD2 4.25Å; F3307-I3471 HydrophobicContact CB-CB 4.35Å; F3307-I3471 HydrophobicContact CB-CG2 3.74Å; F3307-L3472 HydrophobicContact CD1-CB 4.47Å; F3307-L3472 HydrophobicContact CD1-CG 4.43Å; F3307-L3472 HydrophobicContact CD2-CB 3.9Å; F3307-L3472 HydrophobicContact CD2-CD1 4.46Å; F3307-L3472 HydrophobicContact CD2-CG 4.44Å; F3307-L3472 HydrophobicContact CE1-CD1 4.05Å; F3307-L3472 HydrophobicContact CE1-CG 4.16Å; F3307-L3472 HydrophobicContact CE2-CB 4.06Å; F3307-L3472 HydrophobicContact CE2-CD1 3.86Å; F3307-L3472 HydrophobicContact CE2-CG 4.2Å; F3307-L3472 HydrophobicContact CG-CB 4.19Å; F3307-L3472 HydrophobicContact CZ-CB 4.37Å; F3307-L3472 HydrophobicContact CZ-CD1 3.62Å; F3307-L3472 HydrophobicContact CZ-CG 4.08Å |
| 3308 | A | 86.2 | Confident | 80.7 | Confident | 3.66667 Ų | 3.66667 | 25.1 Ų | 25.1 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.5 | -36.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A3304 Q3305 Y3306 L3310 L3311 D3312 C3404 A3407 I3471 | A3304-A3308 WeakPolarHBondContact O-CB 3.39Å; A3304-A3308 PolarHBondContact O-N 2.92Å; A3304-A3308 VanDerWaalsContact O-N 3.07Å; Q3305-A3308 PolarHBondContact O-N 2.9Å; Y3306-A3308 VanDerWaalsContact C-N 3.32Å; Y3306-A3308 PolarHBondContact O-N 2.86Å; A3308-L3310 VanDerWaalsContact C-N 3.32Å; A3308-L3310 PolarHBondContact O-N 3.15Å; A3308-L3311 PolarHBondContact O-N 3.01Å; A3308-D3312 WeakPolarHBondContact O-CB 3.41Å; A3308-D3312 PolarHBondContact O-N 3.22Å; A3308-C3404 HydrophobicContact CB-CB 4.4Å; A3308-A3407 HydrophobicContact CB-CB 4.19Å; A3308-I3471 HydrophobicContact CB-CD1 4.38Å; A3308-I3471 HydrophobicContact CB-CG2 4.24Å |
| 3309 | I | 85.9 | Confident | 82.2 | Confident | 17.3333 Ų | 17.3333 | 28.8 Ų | 28.8 | 9% | 0.089 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 175.2 | -64.7 | 167.2 | 0 | 0 | 0 | 110.8 | Q3016 A3029 I3032 I3033 I3203 I3206 Q3305 Y3306 F3307 Y3313 | Q3016-I3309 HydrophobicContact CG-CD1 4.31Å; A3029-I3309 HydrophobicContact CB-CD1 3.97Å; A3029-I3309 HydrophobicContact CB-CG1 3.56Å; I3032-I3309 HydrophobicContact CB-CG2 4.48Å; I3032-I3309 HydrophobicContact CD1-CD1 4.43Å; I3032-I3309 HydrophobicContact CG2-CG2 3.78Å; I3033-I3309 HydrophobicContact CG1-CG2 4.17Å; I3203-I3309 HydrophobicContact CD1-CG2 3.9Å; I3206-I3309 HydrophobicContact CD1-CB 4.42Å; I3206-I3309 HydrophobicContact CD1-CD1 4.1Å; I3206-I3309 HydrophobicContact CD1-CG2 4.2Å; Q3305-I3309 WeakPolarHBondContact O-CG1 3.32Å; Q3305-I3309 PolarHBondContact O-N 2.96Å; Y3306-I3309 HydrophobicContact CD1-CD1 4.46Å; Y3306-I3309 WeakPolarHBondContact O-CB 3.42Å; Y3306-I3309 PolarHBondContact O-N 2.93Å; Y3306-I3309 VanDerWaalsContact O-N 3.14Å; F3307-I3309 PolarHBondContact O-N 3.32Å; I3309-Y3313 VanDerWaalsContact O-CB 3.29Å; I3309-Y3313 WeakPolarHBondContact O-CB 3.29Å; I3309-Y3313 PolarHBondContact O-N 3.19Å; I3309-Y3313 VanDerWaalsContact O-N 3.15Å |
| 3310 | L | 87.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.9 | -35.7 | -179.9 | -66.1 | 174.5 | 0 | 0 | 0 | 111.8 | I3203 I3206 V3207 L3210 Y3306 F3307 A3308 A3314 L3324 V3329 L3475 | I3203-L3310 HydrophobicContact CD1-CD2 4.01Å; I3203-L3310 HydrophobicContact CG2-CD2 4.38Å; I3206-L3310 HydrophobicContact CG2-CD2 4.11Å; I3206-L3310 HydrophobicContact CG2-CG 4.45Å; V3207-L3310 HydrophobicContact CG2-CD2 4.06Å; L3210-L3310 HydrophobicContact CD1-CD1 3.76Å; Y3306-L3310 HydrophobicContact CE1-CD1 4.45Å; Y3306-L3310 WeakPolarHBondContact O-CB 3.36Å; Y3306-L3310 VanDerWaalsContact O-CG 3.29Å; Y3306-L3310 WeakPolarHBondContact O-CG 3.05Å; Y3306-L3310 PolarHBondContact O-N 3.42Å; F3307-L3310 PolarHBondContact O-N 3.16Å; F3307-L3310 VanDerWaalsContact O-N 3.14Å; A3308-L3310 VanDerWaalsContact C-N 3.32Å; A3308-L3310 PolarHBondContact O-N 3.15Å; L3310-A3314 VanDerWaalsContact O-CB 3.29Å; L3310-A3314 WeakPolarHBondContact O-CB 3.25Å; L3310-A3314 PolarHBondContact O-N 3.19Å; L3310-L3324 HydrophobicContact CB-CD1 4.42Å; L3310-L3324 HydrophobicContact CD2-CD2 3.99Å; L3310-L3324 WeakPolarHBondContact O-CD1 3.19Å; L3310-V3329 HydrophobicContact CD1-CG1 4.21Å; L3310-L3475 HydrophobicContact CB-CD1 4.19Å; L3310-L3475 HydrophobicContact CB-CD2 3.59Å; L3310-L3475 HydrophobicContact CD1-CD2 4.15Å; L3310-L3475 HydrophobicContact CG-CD2 4.47Å |
| 3311 | L | 89.3 | Confident | 83.6 | Confident | 15.6667 Ų | 15.6667 | 28.1 Ų | 28.1 | 8% | 0.082 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.7 | -47 | 177.7 | -179.4 | 55.4 | 0 | 0 | 0 | 112.3 | F3307 A3308 Y3313 A3314 N3315 S3403 I3471 D3474 L3475 | F3307-L3311 VanDerWaalsContact O-CB 3.25Å; F3307-L3311 WeakPolarHBondContact O-CB 3.48Å; F3307-L3311 PolarHBondContact O-N 3.25Å; A3308-L3311 PolarHBondContact O-N 3.01Å; L3311-Y3313 VanDerWaalsContact C-N 3.31Å; L3311-Y3313 PolarHBondContact O-N 2.99Å; L3311-A3314 PolarHBondContact O-N 2.94Å; L3311-N3315 WeakPolarHBondContact CD1-ND2 3.46Å; L3311-N3315 WeakPolarHBondContact O-CB 3.39Å; L3311-N3315 VanDerWaalsContact O-CG 3.26Å; L3311-N3315 PolarHBondContact O-N 2.95Å; L3311-N3315 PolarHBondContact O-ND2 2.82Å; L3311-N3315 VanDerWaalsContact O-ND2 3.14Å; L3311-S3403 WeakPolarHBondContact CD2-OG 3.29Å; L3311-S3403 VanDerWaalsContact CG-OG 3.23Å; L3311-S3403 WeakPolarHBondContact CG-OG 3.27Å; L3311-I3471 HydrophobicContact CD2-CG2 4.07Å; L3311-D3474 HydrophobicContact CD2-CB 3.76Å; L3311-L3475 HydrophobicContact CB-CB 4.26Å; L3311-L3475 HydrophobicContact CB-CD1 4.24Å; L3311-L3475 HydrophobicContact CD1-CB 4.39Å; L3311-L3475 HydrophobicContact CD1-CD1 4.45Å |
| 3312 | D | 87.3 | Confident | 84 | Confident | 31.6667 Ų | 31.6667 | 28.8 Ų | 28.8 | 17% | 0.169 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.9 | -36.4 | 175.7 | -76.1 | -26 | 0 | 0 | 0 | 111.1 | I3033 A3308 A3314 N3315 Y3316 L3401 S3402 S3403 C3404 | I3033-D3312 HydrophobicContact CD1-CB 3.73Å; A3308-D3312 WeakPolarHBondContact O-CB 3.41Å; A3308-D3312 PolarHBondContact O-N 3.22Å; D3312-A3314 PolarHBondContact O-N 3.39Å; D3312-N3315 WeakPolarHBondContact O-CB 3.32Å; D3312-N3315 PolarHBondContact O-N 3.22Å; D3312-N3315 VanDerWaalsContact O-N 3.16Å; D3312-Y3316 VanDerWaalsContact O-CD2 3.27Å; D3312-Y3316 WeakPolarHBondContact O-CD2 3.29Å; D3312-Y3316 PolarHBondContact O-N 3.33Å; D3312-Y3316 VanDerWaalsContact O-N 3.15Å; D3312-L3401 HydrophobicContact CB-CD2 4.42Å; D3312-L3401 VanDerWaalsContact OD2-CA 3.29Å; D3312-L3401 WeakPolarHBondContact OD2-CA 3.43Å; D3312-S3402 VanDerWaalsContact CG-N 3.35Å; D3312-S3402 PolarHBondContact OD1-N 2.94Å; D3312-S3402 PolarHBondContact OD1-OG 3.15Å; D3312-S3402 PolarHBondContact OD2-N 2.7Å; D3312-S3403 WeakPolarHBondContact OD1-CB 3.35Å; D3312-S3403 PolarHBondContact OD1-N 3.3Å; D3312-S3403 PolarHBondContact OD1-OG 3.36Å; D3312-S3403 PolarHBondContact OD2-N 2.95Å; D3312-C3404 WeakPolarHBondContact OD2-CB 3.23Å; D3312-C3404 PolarHBondContact OD2-N 3.19Å; D3312-C3404 PolarHBondContact OD2-SG 3.2Å |
| 3313 | Y | 87.5 | Confident | 84.3 | Confident | 7.66667 Ų | 7.66667 | 29 Ų | 29 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 171.8 | -173.9 | -103.8 | 0 | 0 | 0 | 112.3 | I3033 C3036 M3040 I3203 I3309 L3311 N3315 Y3316 E3320 Y3323 L3324 | I3033-Y3313 HydrophobicContact CG2-CD2 4.4Å; C3036-Y3313 HydrophobicContact CB-CD2 4.25Å; C3036-Y3313 HydrophobicContact CB-CE2 3.58Å; M3040-Y3313 WeakPolarHBondContact CE-OH 3.39Å; I3203-Y3313 HydrophobicContact CD1-CD1 4.11Å; I3203-Y3313 HydrophobicContact CD1-CD2 4.07Å; I3203-Y3313 HydrophobicContact CD1-CE1 4.13Å; I3203-Y3313 HydrophobicContact CD1-CE2 4.09Å; I3203-Y3313 HydrophobicContact CD1-CG 4.03Å; I3203-Y3313 HydrophobicContact CG1-CD1 4.29Å; I3203-Y3313 HydrophobicContact CG1-CD2 3.75Å; I3203-Y3313 HydrophobicContact CG1-CE1 3.88Å; I3203-Y3313 HydrophobicContact CG1-CE2 4.16Å; I3203-Y3313 HydrophobicContact CG1-CG 3.91Å; I3203-Y3313 HydrophobicContact CG2-CE1 4.28Å; I3309-Y3313 VanDerWaalsContact O-CB 3.29Å; I3309-Y3313 WeakPolarHBondContact O-CB 3.29Å; I3309-Y3313 PolarHBondContact O-N 3.19Å; I3309-Y3313 VanDerWaalsContact O-N 3.15Å; L3311-Y3313 VanDerWaalsContact C-N 3.31Å; L3311-Y3313 PolarHBondContact O-N 2.99Å; Y3313-N3315 VanDerWaalsContact C-N 3.29Å; Y3313-N3315 PolarHBondContact O-N 2.84Å; Y3313-Y3316 VanDerWaalsContact O-CB 3.28Å; Y3313-Y3316 WeakPolarHBondContact O-CB 3.39Å; Y3313-Y3316 PolarHBondContact O-N 3.15Å; Y3313-E3320 HydrophobicContact CD1-CB 4.03Å; Y3313-E3320 HydrophobicContact CD2-CB 4.43Å; Y3313-E3320 HydrophobicContact CD2-CG 4.26Å; Y3313-E3320 HydrophobicContact CE1-CB 3.73Å; Y3313-E3320 HydrophobicContact CE1-CG 4.15Å; Y3313-E3320 HydrophobicContact CE2-CB 4.22Å; Y3313-E3320 HydrophobicContact CE2-CG 3.93Å; Y3313-E3320 HydrophobicContact CG-CB 4.4Å; Y3313-E3320 VanDerWaalsContact O-CB 3.25Å; Y3313-E3320 WeakPolarHBondContact O-CB 3.39Å; Y3313-Y3323 AromaticContact CE1-CD1 3.73Å; Y3313-Y3323 HydrophobicContact CE1-CD1 3.73Å; Y3313-Y3323 HydrophobicContact CE1-CE1 4.5Å; Y3313-Y3323 HydrophobicContact CE1-CG 4.42Å; Y3313-Y3323 AromaticContact CZ-CD1 3.85Å; Y3313-Y3323 VanDerWaalsContact OH-CD1 3.3Å; Y3313-Y3323 WeakPolarHBondContact OH-CD1 3.36Å; Y3313-L3324 HydrophobicContact CD1-CD1 4.01Å; Y3313-L3324 HydrophobicContact CD1-CD2 3.97Å; Y3313-L3324 HydrophobicContact CD1-CG 3.94Å; Y3313-L3324 HydrophobicContact CE1-CD2 4.2Å; Y3313-L3324 HydrophobicContact CE1-CG 4.24Å |
| 3314 | A | 85.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L3310 L3311 D3312 Y3316 G3317 C3321 L3324 L3475 Y3478 L3479 | L3310-A3314 VanDerWaalsContact O-CB 3.29Å; L3310-A3314 WeakPolarHBondContact O-CB 3.25Å; L3310-A3314 PolarHBondContact O-N 3.19Å; L3311-A3314 PolarHBondContact O-N 2.94Å; D3312-A3314 PolarHBondContact O-N 3.39Å; A3314-Y3316 VanDerWaalsContact C-N 3.29Å; A3314-Y3316 PolarHBondContact O-N 3.12Å; A3314-G3317 PolarHBondContact O-N 3.15Å; A3314-C3321 PolarHBondContact O-SG 3.47Å; A3314-C3321 VanDerWaalsContact O-SG 3.38Å; A3314-L3324 HydrophobicContact CB-CD1 3.83Å; A3314-L3475 HydrophobicContact CB-CD1 4.46Å; A3314-Y3478 HydrophobicContact CB-CD1 3.81Å; A3314-Y3478 HydrophobicContact CB-CE1 3.68Å; A3314-Y3478 VanDerWaalsContact O-CE1 3.26Å; A3314-Y3478 WeakPolarHBondContact O-CE1 3.38Å; A3314-Y3478 PolarHBondContact O-OH 3.34Å; A3314-L3479 HydrophobicContact CB-CD2 4.22Å |
| 3315 | N | 85.9 | Confident | 84.5 | Confident | 67.6667 Ų | 67.6667 | 29.8 Ų | 29.8 | 36% | 0.362 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -73.4 | -11.1 | 177.7 | -77.8 | -55.3 | 0 | 0 | 0 | 114.2 | L3311 D3312 Y3313 G3317 R3400 Y3478 | L3311-N3315 WeakPolarHBondContact CD1-ND2 3.46Å; L3311-N3315 WeakPolarHBondContact O-CB 3.39Å; L3311-N3315 VanDerWaalsContact O-CG 3.26Å; L3311-N3315 PolarHBondContact O-N 2.95Å; L3311-N3315 PolarHBondContact O-ND2 2.82Å; L3311-N3315 VanDerWaalsContact O-ND2 3.14Å; D3312-N3315 WeakPolarHBondContact O-CB 3.32Å; D3312-N3315 PolarHBondContact O-N 3.22Å; D3312-N3315 VanDerWaalsContact O-N 3.16Å; Y3313-N3315 VanDerWaalsContact C-N 3.29Å; Y3313-N3315 PolarHBondContact O-N 2.84Å; N3315-G3317 VanDerWaalsContact C-N 3.33Å; N3315-G3317 PolarHBondContact O-N 3.21Å; N3315-R3400 PolarHBondContact O-NH1 3.22Å; N3315-Y3478 WeakPolarHBondContact OD1-CE2 3.31Å; N3315-Y3478 PolarHBondContact OD1-OH 3.03Å |
| 3316 | Y | 82.5 | Confident | 84.4 | Confident | 72.6667 Ų | 72.6667 | 35.8 Ų | 35.8 | 29% | 0.285 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -39.4 | 178.2 | -132.9 | -76.8 | 0 | 0 | 0 | 111.8 | I3033 H3037 D3312 Y3313 A3314 T3397 N3398 L3399 R3400 | I3033-Y3316 HydrophobicContact CG2-CD2 3.91Å; I3033-Y3316 HydrophobicContact CG2-CE2 4.47Å; H3037-Y3316 HydrophobicContact CB-CD1 4.19Å; H3037-Y3316 HydrophobicContact CB-CD2 4.34Å; H3037-Y3316 HydrophobicContact CB-CE1 4.16Å; H3037-Y3316 HydrophobicContact CB-CE2 4.25Å; H3037-Y3316 HydrophobicContact CB-CG 4.3Å; H3037-Y3316 AromaticContact CD2-CD1 3.95Å; H3037-Y3316 AromaticContact CD2-CE1 3.24Å; H3037-Y3316 WeakPolarHBondContact CD2-CE1 3.33Å; H3037-Y3316 AromaticContact CD2-CZ 3.37Å; H3037-Y3316 VanDerWaalsContact CD2-CZ 3.45Å; H3037-Y3316 PolarHBondContact CD2-OH 3.34Å; H3037-Y3316 AromaticContact CE1-CD1 3.62Å; H3037-Y3316 AromaticContact CE1-CE1 3.29Å; H3037-Y3316 WeakPolarHBondContact CE1-CE1 3.37Å; H3037-Y3316 AromaticContact CG-CD1 3.53Å; H3037-Y3316 VanDerWaalsContact CG-CD1 3.5Å; H3037-Y3316 AromaticContact CG-CE1 3.26Å; H3037-Y3316 AromaticContact CG-CZ 3.58Å; H3037-Y3316 VanDerWaalsContact CG-CZ 3.48Å; H3037-Y3316 AromaticContact ND1-CD1 3.28Å; H3037-Y3316 VanDerWaalsContact ND1-CD1 3.28Å; H3037-Y3316 WeakPolarHBondContact ND1-CD1 3.46Å; H3037-Y3316 AromaticContact ND1-CE1 3.3Å; H3037-Y3316 WeakPolarHBondContact ND1-CE1 3.39Å; H3037-Y3316 AromaticContact ND1-CZ 4Å; H3037-Y3316 AromaticContact NE2-CE1 3.25Å; H3037-Y3316 VanDerWaalsContact NE2-CE1 3.3Å; H3037-Y3316 WeakPolarHBondContact NE2-CE1 3.21Å; H3037-Y3316 AromaticContact NE2-CZ 3.81Å; D3312-Y3316 VanDerWaalsContact O-CD2 3.27Å; D3312-Y3316 WeakPolarHBondContact O-CD2 3.29Å; D3312-Y3316 PolarHBondContact O-N 3.33Å; D3312-Y3316 VanDerWaalsContact O-N 3.15Å; Y3313-Y3316 VanDerWaalsContact O-CB 3.28Å; Y3313-Y3316 WeakPolarHBondContact O-CB 3.39Å; Y3313-Y3316 PolarHBondContact O-N 3.15Å; A3314-Y3316 VanDerWaalsContact C-N 3.29Å; A3314-Y3316 PolarHBondContact O-N 3.12Å; Y3316-T3397 WeakPolarHBondContact OH-CB 3.34Å; Y3316-T3397 PolarHBondContact OH-OG1 3.22Å; Y3316-N3398 HydrophobicContact CE1-CB 4.03Å; Y3316-N3398 PolarHBondContact OH-O 2.7Å; Y3316-L3399 HydrophobicContact CD2-CD1 4.06Å; Y3316-L3399 HydrophobicContact CE2-CB 3.88Å; Y3316-L3399 HydrophobicContact CE2-CD1 3.58Å; Y3316-L3399 HydrophobicContact CE2-CG 4.33Å; Y3316-R3400 HydrophobicContact CD2-CB 4.34Å; Y3316-R3400 HydrophobicContact CE2-CB 4.5Å; Y3316-R3400 PolarHBondContact O-NH1 2.95Å |
| 3317 | G | 80.9 | Confident | 84.1 | Confident | 21 Ų | 21 | 36.5 Ų | 36.5 | 22% | 0.216 | 18% | 0.178 | C | C | . | . | trans | 178.6 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A3314 N3315 Q3319 E3320 C3321 | A3314-G3317 PolarHBondContact O-N 3.15Å; N3315-G3317 VanDerWaalsContact C-N 3.33Å; N3315-G3317 PolarHBondContact O-N 3.21Å; G3317-Q3319 VanDerWaalsContact C-N 3.28Å; G3317-Q3319 PolarHBondContact O-N 3.38Å; G3317-E3320 WeakPolarHBondContact CA-OE2 3.28Å; G3317-E3320 PolarHBondContact N-OE2 3.14Å; G3317-E3320 PolarHBondContact O-N 3.01Å; G3317-C3321 PolarHBondContact O-N 2.97Å; G3317-C3321 PolarHBondContact O-SG 3.33Å | ||
| 3318 | K | 80.5 | Confident | 83.8 | Confident | 119.333 Ų | 119.333 | 39.8 Ų | 39.8 | 52% | 0.519 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.8 | -28.7 | -178.6 | -96.4 | -179.3 | 179.1 | -179.5 | 0 | 112.5 | C3322 T3568 L3570 | K3318-C3322 VanDerWaalsContact O-CB 3.28Å; K3318-C3322 WeakPolarHBondContact O-CB 3.19Å; K3318-C3322 PolarHBondContact O-N 3Å; K3318-C3322 VanDerWaalsContact O-N 3.07Å; K3318-C3322 PolarHBondContact O-SG 3.29Å; K3318-T3568 PolarHBondContact NZ-OG1 3.42Å; K3318-L3570 HydrophobicContact CB-CD2 4.05Å; K3318-L3570 HydrophobicContact CD-CD2 3.87Å; K3318-L3570 HydrophobicContact CG-CD2 3.95Å |
| 3319 | Q | 80.5 | Confident | 83.7 | Confident | 129.333 Ų | 129.333 | 39.7 Ų | 39.7 | 60% | 0.604 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -72.7 | -40.8 | -179 | -66.3 | -174.8 | -3.5 | 0 | 0 | 110.8 | G3317 C3322 Y3323 | G3317-Q3319 VanDerWaalsContact C-N 3.28Å; G3317-Q3319 PolarHBondContact O-N 3.38Å; Q3319-C3322 CarbonylContact O-C 3.58Å; Q3319-C3322 WeakPolarHBondContact O-CB 3.18Å; Q3319-C3322 PolarHBondContact O-N 3.31Å; Q3319-Y3323 WeakPolarHBondContact O-CB 3.4Å; Q3319-Y3323 PolarHBondContact O-N 3.26Å |
| 3320 | E | 84.8 | Confident | 83.5 | Confident | 20 Ų | 20 | 39 Ų | 39 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.9 | -45.8 | 178.8 | -61 | 81.4 | 174.4 | 0 | 0 | 110.7 | H3037 M3040 Y3313 G3317 C3322 Y3323 L3324 | H3037-E3320 IonicContact CE1-OE1 3.36Å; H3037-E3320 PolarHBondContact CE1-OE1 3.46Å; H3037-E3320 IonicContact CG-OE1 2.96Å; H3037-E3320 IonicContact ND1-OE1 3.47Å; H3037-E3320 PolarHBondContact ND1-OE1 3.08Å; M3040-E3320 HydrophobicContact CG-CG 4.49Å; Y3313-E3320 HydrophobicContact CD1-CB 4.03Å; Y3313-E3320 HydrophobicContact CD2-CB 4.43Å; Y3313-E3320 HydrophobicContact CD2-CG 4.26Å; Y3313-E3320 HydrophobicContact CE1-CB 3.73Å; Y3313-E3320 HydrophobicContact CE1-CG 4.15Å; Y3313-E3320 HydrophobicContact CE2-CB 4.22Å; Y3313-E3320 HydrophobicContact CE2-CG 3.93Å; Y3313-E3320 HydrophobicContact CG-CB 4.4Å; Y3313-E3320 VanDerWaalsContact O-CB 3.25Å; Y3313-E3320 WeakPolarHBondContact O-CB 3.39Å; G3317-E3320 WeakPolarHBondContact CA-OE2 3.28Å; G3317-E3320 PolarHBondContact N-OE2 3.14Å; G3317-E3320 PolarHBondContact O-N 3.01Å; E3320-C3322 PolarHBondContact O-N 3.37Å; E3320-Y3323 WeakPolarHBondContact O-CB 3.26Å; E3320-Y3323 PolarHBondContact O-N 3.47Å; E3320-Y3323 VanDerWaalsContact O-N 3.12Å; E3320-L3324 WeakPolarHBondContact O-CG 3.36Å; E3320-L3324 PolarHBondContact O-N 3.2Å |
| 3321 | C | 83.9 | Confident | 83.1 | Confident | 0.666667 Ų | 0.666667 | 39.9 Ų | 39.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -49.7 | 170.1 | -144.7 | 0 | 0 | 0 | 0 | 111.7 | A3314 G3317 Y3323 L3324 L3325 Y3478 L3570 | A3314-C3321 PolarHBondContact O-SG 3.47Å; A3314-C3321 VanDerWaalsContact O-SG 3.38Å; G3317-C3321 PolarHBondContact O-N 2.97Å; G3317-C3321 PolarHBondContact O-SG 3.33Å; C3321-Y3323 PolarHBondContact O-N 3.15Å; C3321-L3324 PolarHBondContact O-N 3.23Å; C3321-L3325 WeakPolarHBondContact O-CB 3.41Å; C3321-L3325 WeakPolarHBondContact O-CD1 3.28Å; C3321-L3325 WeakPolarHBondContact O-CG 3.33Å; C3321-L3325 PolarHBondContact O-N 3.14Å; C3321-Y3478 HydrophobicContact CB-CE1 4.31Å; C3321-L3570 HydrophobicContact CB-CD1 3.87Å |
| 3322 | C | 82.1 | Confident | 82.7 | Confident | 36 Ų | 36 | 40 Ų | 40 | 24% | 0.243 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.9 | -32 | 174.7 | -78.9 | 0 | 0 | 0 | 0 | 112.9 | K3318 Q3319 E3320 L3325 K3326 | K3318-C3322 VanDerWaalsContact O-CB 3.28Å; K3318-C3322 WeakPolarHBondContact O-CB 3.19Å; K3318-C3322 PolarHBondContact O-N 3Å; K3318-C3322 VanDerWaalsContact O-N 3.07Å; K3318-C3322 PolarHBondContact O-SG 3.29Å; Q3319-C3322 CarbonylContact O-C 3.58Å; Q3319-C3322 WeakPolarHBondContact O-CB 3.18Å; Q3319-C3322 PolarHBondContact O-N 3.31Å; E3320-C3322 PolarHBondContact O-N 3.37Å; C3322-L3325 PolarHBondContact O-N 3.16Å; C3322-K3326 WeakPolarHBondContact O-CB 3.38Å; C3322-K3326 WeakPolarHBondContact O-CD 3.43Å; C3322-K3326 VanDerWaalsContact O-CG 3.28Å; C3322-K3326 WeakPolarHBondContact O-CG 3.39Å; C3322-K3326 PolarHBondContact O-N 3.15Å; C3322-K3326 VanDerWaalsContact O-N 3.09Å |
| 3323 | Y | 83.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 10% | 0.102 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72 | -47.5 | 178.6 | -171.3 | -101 | 0 | 0 | 0 | 111.7 | M3040 E3200 I3203 Q3204 Y3313 Q3319 E3320 C3321 L3325 K3326 L3327 | M3040-Y3323 HydrophobicContact CE-CD1 3.78Å; M3040-Y3323 HydrophobicContact CE-CD2 4.29Å; M3040-Y3323 HydrophobicContact CE-CE1 4.16Å; M3040-Y3323 HydrophobicContact CE-CE2 4.47Å; M3040-Y3323 HydrophobicContact CE-CG 3.75Å; E3200-Y3323 HydrophobicContact CB-CE2 4.37Å; E3200-Y3323 WeakPolarHBondContact CB-OH 3.48Å; E3200-Y3323 HydrophobicContact CG-CE1 4.39Å; E3200-Y3323 HydrophobicContact CG-CE2 3.76Å; E3200-Y3323 WeakPolarHBondContact CG-OH 3.43Å; E3200-Y3323 PolarHBondContact O-OH 3.16Å; E3200-Y3323 WeakPolarHBondContact OE1-CE2 3.35Å; I3203-Y3323 HydrophobicContact CB-CE1 4.25Å; I3203-Y3323 HydrophobicContact CG2-CD1 4.15Å; I3203-Y3323 HydrophobicContact CG2-CE1 3.8Å; Q3204-Y3323 HydrophobicContact CG-CE1 4.44Å; Q3204-Y3323 WeakPolarHBondContact CG-OH 3.33Å; Q3204-Y3323 PolarHBondContact NE2-OH 2.96Å; Y3313-Y3323 AromaticContact CE1-CD1 3.73Å; Y3313-Y3323 HydrophobicContact CE1-CD1 3.73Å; Y3313-Y3323 HydrophobicContact CE1-CE1 4.5Å; Y3313-Y3323 HydrophobicContact CE1-CG 4.42Å; Y3313-Y3323 AromaticContact CZ-CD1 3.85Å; Y3313-Y3323 VanDerWaalsContact OH-CD1 3.3Å; Y3313-Y3323 WeakPolarHBondContact OH-CD1 3.36Å; Q3319-Y3323 WeakPolarHBondContact O-CB 3.4Å; Q3319-Y3323 PolarHBondContact O-N 3.26Å; E3320-Y3323 WeakPolarHBondContact O-CB 3.26Å; E3320-Y3323 PolarHBondContact O-N 3.47Å; E3320-Y3323 VanDerWaalsContact O-N 3.12Å; C3321-Y3323 PolarHBondContact O-N 3.15Å; Y3323-L3325 VanDerWaalsContact C-N 3.28Å; Y3323-L3325 PolarHBondContact O-N 3.25Å; Y3323-K3326 WeakPolarHBondContact O-CB 3.43Å; Y3323-K3326 PolarHBondContact O-N 2.97Å; Y3323-K3326 VanDerWaalsContact O-N 3.15Å; Y3323-L3327 HydrophobicContact CD1-CD1 3.92Å; Y3323-L3327 HydrophobicContact CD1-CG 4.43Å; Y3323-L3327 HydrophobicContact CE1-CD1 3.53Å; Y3323-L3327 HydrophobicContact CE1-CG 4.19Å; Y3323-L3327 WeakPolarHBondContact O-CG 3.34Å; Y3323-L3327 PolarHBondContact O-N 3.15Å; Y3323-L3327 VanDerWaalsContact O-N 3.09Å |
| 3324 | L | 84.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -36.4 | 174.4 | -63.9 | -177.5 | 0 | 0 | 0 | 112.3 | I3203 V3207 L3310 Y3313 A3314 E3320 C3321 L3327 H3328 V3329 L3479 | I3203-L3324 HydrophobicContact CG1-CD2 4.09Å; I3203-L3324 HydrophobicContact CG2-CD2 3.69Å; V3207-L3324 HydrophobicContact CG2-CD2 4.33Å; L3310-L3324 HydrophobicContact CB-CD1 4.42Å; L3310-L3324 HydrophobicContact CD2-CD2 3.99Å; L3310-L3324 WeakPolarHBondContact O-CD1 3.19Å; Y3313-L3324 HydrophobicContact CD1-CD1 4.01Å; Y3313-L3324 HydrophobicContact CD1-CD2 3.97Å; Y3313-L3324 HydrophobicContact CD1-CG 3.94Å; Y3313-L3324 HydrophobicContact CE1-CD2 4.2Å; Y3313-L3324 HydrophobicContact CE1-CG 4.24Å; A3314-L3324 HydrophobicContact CB-CD1 3.83Å; E3320-L3324 WeakPolarHBondContact O-CG 3.36Å; E3320-L3324 PolarHBondContact O-N 3.2Å; C3321-L3324 PolarHBondContact O-N 3.23Å; L3324-L3327 PolarHBondContact O-N 3.13Å; L3324-H3328 PolarHBondContact O-N 3.32Å; L3324-V3329 HydrophobicContact CB-CB 4.36Å; L3324-V3329 HydrophobicContact CB-CG2 4.12Å; L3324-V3329 HydrophobicContact CD2-CG2 4.16Å; L3324-V3329 WeakPolarHBondContact O-CB 3.33Å; L3324-V3329 VanDerWaalsContact O-CG2 3.31Å; L3324-V3329 WeakPolarHBondContact O-CG2 3.36Å; L3324-V3329 PolarHBondContact O-N 3.22Å; L3324-L3479 HydrophobicContact CB-CD2 4.12Å; L3324-L3479 HydrophobicContact CD1-CD2 4.37Å |
| 3325 | L | 82.8 | Confident | 81.7 | Confident | 26.3333 Ų | 26.3333 | 42.1 Ų | 42.1 | 14% | 0.138 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 173.1 | -69.5 | 171.5 | 0 | 0 | 0 | 112.1 | C3321 C3322 Y3323 L3327 H3328 P3330 L3479 V3571 | C3321-L3325 WeakPolarHBondContact O-CB 3.41Å; C3321-L3325 WeakPolarHBondContact O-CD1 3.28Å; C3321-L3325 WeakPolarHBondContact O-CG 3.33Å; C3321-L3325 PolarHBondContact O-N 3.14Å; C3322-L3325 PolarHBondContact O-N 3.16Å; Y3323-L3325 VanDerWaalsContact C-N 3.28Å; Y3323-L3325 PolarHBondContact O-N 3.25Å; L3325-L3327 PolarHBondContact O-N 3.15Å; L3325-H3328 PolarHBondContact O-N 3.39Å; L3325-P3330 HydrophobicContact CD2-CG 3.84Å; L3325-L3479 HydrophobicContact CD2-CB 4.04Å; L3325-L3479 HydrophobicContact CD2-CD2 4.33Å; L3325-L3479 HydrophobicContact CG-CD2 4.41Å; L3325-V3571 HydrophobicContact CB-CG2 4.38Å; L3325-V3571 HydrophobicContact CD1-CB 4.35Å; L3325-V3571 HydrophobicContact CD1-CG2 3.96Å |
| 3326 | K | 79.7 | Confident | 81.2 | Confident | 151 Ų | 151 | 39.4 Ų | 39.4 | 66% | 0.657 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -64.5 | -24.4 | 173.2 | -74.6 | 169.3 | -177.8 | 178.6 | 0 | 113.4 | C3322 Y3323 H3328 | C3322-K3326 WeakPolarHBondContact O-CB 3.38Å; C3322-K3326 WeakPolarHBondContact O-CD 3.43Å; C3322-K3326 VanDerWaalsContact O-CG 3.28Å; C3322-K3326 WeakPolarHBondContact O-CG 3.39Å; C3322-K3326 PolarHBondContact O-N 3.15Å; C3322-K3326 VanDerWaalsContact O-N 3.09Å; Y3323-K3326 WeakPolarHBondContact O-CB 3.43Å; Y3323-K3326 PolarHBondContact O-N 2.97Å; Y3323-K3326 VanDerWaalsContact O-N 3.15Å; K3326-H3328 VanDerWaalsContact C-N 3.33Å; K3326-H3328 PolarHBondContact O-CD2 3.31Å; K3326-H3328 VanDerWaalsContact O-CD2 3.3Å; K3326-H3328 PolarHBondContact O-N 3.42Å |
| 3327 | L | 78.3 | Confident | 81 | Confident | 18.6667 Ų | 18.6667 | 36.7 Ų | 36.7 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 0.7 | 175.7 | -69 | -177.7 | 0 | 0 | 0 | 113.4 | R3164 I3203 Q3204 V3207 Y3323 L3324 L3325 V3329 | R3164-L3327 PolarHBondContact NH1-O 3.09Å; I3203-L3327 HydrophobicContact CG2-CD1 4.13Å; Q3204-L3327 HydrophobicContact CG-CD1 3.98Å; Q3204-L3327 HydrophobicContact CG-CD2 3.95Å; Q3204-L3327 HydrophobicContact CG-CG 4.4Å; V3207-L3327 HydrophobicContact CB-CD1 4.46Å; V3207-L3327 HydrophobicContact CG1-CB 4.3Å; V3207-L3327 HydrophobicContact CG2-CD1 4.17Å; Y3323-L3327 HydrophobicContact CD1-CD1 3.92Å; Y3323-L3327 HydrophobicContact CD1-CG 4.43Å; Y3323-L3327 HydrophobicContact CE1-CD1 3.53Å; Y3323-L3327 HydrophobicContact CE1-CG 4.19Å; Y3323-L3327 WeakPolarHBondContact O-CG 3.34Å; Y3323-L3327 PolarHBondContact O-N 3.15Å; Y3323-L3327 VanDerWaalsContact O-N 3.09Å; L3324-L3327 PolarHBondContact O-N 3.13Å; L3325-L3327 PolarHBondContact O-N 3.15Å; L3327-V3329 VanDerWaalsContact C-N 3.3Å; L3327-V3329 HydrophobicContact CB-CG2 4.07Å; L3327-V3329 PolarHBondContact O-N 3.07Å; L3327-V3329 VanDerWaalsContact O-N 3.13Å |
| 3328 | H | 81 | Confident | 80.6 | Confident | 71.6667 Ų | 71.6667 | 37.7 Ų | 37.7 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 33.4 | -177.5 | -59.7 | -94.2 | 0 | 0 | 0 | 113.5 | R3164 L3324 L3325 K3326 P3330 E3331 I3332 | R3164-H3328 PolarHBondContact NH2-CD2 3.1Å; R3164-H3328 PolarHBondContact NH2-NE2 2.89Å; L3324-H3328 PolarHBondContact O-N 3.32Å; L3325-H3328 PolarHBondContact O-N 3.39Å; K3326-H3328 VanDerWaalsContact C-N 3.33Å; K3326-H3328 PolarHBondContact O-CD2 3.31Å; K3326-H3328 VanDerWaalsContact O-CD2 3.3Å; K3326-H3328 PolarHBondContact O-N 3.42Å; H3328-P3330 VanDerWaalsContact C-CD 3.48Å; H3328-E3331 VanDerWaalsContact CA-OE2 3.29Å; H3328-E3331 WeakPolarHBondContact CA-OE2 3.32Å; H3328-E3331 HydrophobicContact CB-CB 4.41Å; H3328-E3331 HydrophobicContact CB-CG 4.45Å; H3328-E3331 WeakPolarHBondContact CB-OE2 3.42Å; H3328-E3331 IonicContact CE1-OE1 3.41Å; H3328-E3331 IonicContact CG-OE1 2.84Å; H3328-E3331 IonicContact ND1-OE1 3.12Å; H3328-E3331 PolarHBondContact ND1-OE1 3.08Å; H3328-E3331 IonicContact ND1-OE2 3.11Å; H3328-E3331 PolarHBondContact O-N 3.36Å; H3328-E3331 VanDerWaalsContact O-OE2 3.11Å; H3328-I3332 WeakPolarHBondContact O-CG1 3.27Å; H3328-I3332 PolarHBondContact O-N 3.22Å; H3328-I3332 VanDerWaalsContact O-N 3.09Å |
| 3329 | V | 83.2 | Confident | 80 | Confident | 0.666667 Ų | 0.666667 | 34.8 Ų | 34.8 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.4 | -42.7 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | V3207 L3310 L3324 L3327 E3331 I3332 L3333 L3479 | V3207-V3329 HydrophobicContact CB-CG2 4.49Å; V3207-V3329 HydrophobicContact CG1-CG2 4Å; V3207-V3329 HydrophobicContact CG2-CG2 3.7Å; L3310-V3329 HydrophobicContact CD1-CG1 4.21Å; L3324-V3329 HydrophobicContact CB-CB 4.36Å; L3324-V3329 HydrophobicContact CB-CG2 4.12Å; L3324-V3329 HydrophobicContact CD2-CG2 4.16Å; L3324-V3329 WeakPolarHBondContact O-CB 3.33Å; L3324-V3329 VanDerWaalsContact O-CG2 3.31Å; L3324-V3329 WeakPolarHBondContact O-CG2 3.36Å; L3324-V3329 PolarHBondContact O-N 3.22Å; L3327-V3329 VanDerWaalsContact C-N 3.3Å; L3327-V3329 HydrophobicContact CB-CG2 4.07Å; L3327-V3329 PolarHBondContact O-N 3.07Å; L3327-V3329 VanDerWaalsContact O-N 3.13Å; V3329-E3331 VanDerWaalsContact C-N 3.3Å; V3329-E3331 PolarHBondContact O-N 3.13Å; V3329-I3332 WeakPolarHBondContact O-CB 3.38Å; V3329-I3332 PolarHBondContact O-N 3.18Å; V3329-I3332 VanDerWaalsContact O-N 3.1Å; V3329-L3333 HydrophobicContact CG1-CD1 3.71Å; V3329-L3333 HydrophobicContact CG1-CG 3.99Å; V3329-L3333 WeakPolarHBondContact O-CB 3.3Å; V3329-L3333 VanDerWaalsContact O-CG 3.27Å; V3329-L3333 WeakPolarHBondContact O-CG 3.17Å; V3329-L3333 PolarHBondContact O-N 2.92Å; V3329-L3479 HydrophobicContact CB-CD1 4.1Å; V3329-L3479 HydrophobicContact CG1-CD1 3.72Å |
| 3330 | P | 83 | Confident | 79.4 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.3 | -43.4 | 176.5 | -26.1 | 36.5 | 0 | 0 | 0 | 113.5 | L3325 H3328 I3332 L3333 I3334 L3476 L3479 V3480 L3577 | L3325-P3330 HydrophobicContact CD2-CG 3.84Å; H3328-P3330 VanDerWaalsContact C-CD 3.48Å; P3330-I3332 VanDerWaalsContact C-N 3.34Å; P3330-I3332 PolarHBondContact O-N 3.35Å; P3330-L3333 PolarHBondContact O-N 3.09Å; P3330-I3334 WeakPolarHBondContact O-CB 3.41Å; P3330-I3334 WeakPolarHBondContact O-CD1 3.23Å; P3330-I3334 VanDerWaalsContact O-CG1 3.27Å; P3330-I3334 WeakPolarHBondContact O-CG1 3.37Å; P3330-I3334 PolarHBondContact O-N 3.38Å; P3330-L3476 HydrophobicContact CB-CD1 3.97Å; P3330-L3479 HydrophobicContact CG-CB 3.76Å; P3330-L3479 HydrophobicContact CG-CD1 4Å; P3330-V3480 HydrophobicContact CB-CG2 4.27Å; P3330-L3577 HydrophobicContact CB-CD1 3.96Å; P3330-L3577 HydrophobicContact CB-CD2 3.91Å; P3330-L3577 HydrophobicContact CB-CG 4.48Å; P3330-L3577 HydrophobicContact CG-CD1 4.35Å |
| 3331 | E | 79.9 | Confident | 78.3 | Confident | 18.3333 Ų | 18.3333 | 32.1 Ų | 32.1 | 9% | 0.086 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 177.1 | -61.6 | 96.7 | 132.3 | 0 | 0 | 112 | H3328 V3329 L3333 I3334 N3335 L3387 I3391 S3574 L3577 L3580 | H3328-E3331 VanDerWaalsContact CA-OE2 3.29Å; H3328-E3331 WeakPolarHBondContact CA-OE2 3.32Å; H3328-E3331 HydrophobicContact CB-CB 4.41Å; H3328-E3331 HydrophobicContact CB-CG 4.45Å; H3328-E3331 WeakPolarHBondContact CB-OE2 3.42Å; H3328-E3331 IonicContact CE1-OE1 3.41Å; H3328-E3331 IonicContact CG-OE1 2.84Å; H3328-E3331 IonicContact ND1-OE1 3.12Å; H3328-E3331 PolarHBondContact ND1-OE1 3.08Å; H3328-E3331 IonicContact ND1-OE2 3.11Å; H3328-E3331 PolarHBondContact O-N 3.36Å; H3328-E3331 VanDerWaalsContact O-OE2 3.11Å; V3329-E3331 VanDerWaalsContact C-N 3.3Å; V3329-E3331 PolarHBondContact O-N 3.13Å; E3331-L3333 VanDerWaalsContact C-N 3.34Å; E3331-I3334 PolarHBondContact O-N 2.97Å; E3331-N3335 VanDerWaalsContact O-CB 3.3Å; E3331-N3335 WeakPolarHBondContact O-CB 3.22Å; E3331-N3335 PolarHBondContact O-N 3.34Å; E3331-N3335 VanDerWaalsContact O-N 3.11Å; E3331-N3335 PolarHBondContact O-ND2 3.01Å; E3331-L3387 HydrophobicContact CG-CD2 4.48Å; E3331-I3391 VanDerWaalsContact CD-CD1 3.44Å; E3331-I3391 HydrophobicContact CG-CD1 4.14Å; E3331-I3391 WeakPolarHBondContact OE1-CD1 3.41Å; E3331-S3574 WeakPolarHBondContact OE1-CB 3.37Å; E3331-S3574 PolarHBondContact OE1-OG 3.1Å; E3331-L3577 HydrophobicContact CG-CD2 3.89Å; E3331-L3577 HydrophobicContact CG-CG 3.81Å; E3331-L3580 HydrophobicContact CG-CD1 4.32Å |
| 3332 | I | 80 | Confident | 77 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.092 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 175.7 | -65.6 | 164.8 | 0 | 0 | 0 | 110.3 | V3207 L3210 H3211 H3328 V3329 P3330 N3335 Y3336 | V3207-I3332 HydrophobicContact CG1-CD1 3.66Å; L3210-I3332 HydrophobicContact CB-CG2 3.65Å; L3210-I3332 HydrophobicContact CD1-CG2 4.37Å; H3211-I3332 HydrophobicContact CB-CD1 4.43Å; H3211-I3332 WeakPolarHBondContact NE2-CD1 3.22Å; H3328-I3332 WeakPolarHBondContact O-CG1 3.27Å; H3328-I3332 PolarHBondContact O-N 3.22Å; H3328-I3332 VanDerWaalsContact O-N 3.09Å; V3329-I3332 WeakPolarHBondContact O-CB 3.38Å; V3329-I3332 PolarHBondContact O-N 3.18Å; V3329-I3332 VanDerWaalsContact O-N 3.1Å; P3330-I3332 VanDerWaalsContact C-N 3.34Å; P3330-I3332 PolarHBondContact O-N 3.35Å; I3332-N3335 PolarHBondContact O-N 3.11Å; I3332-Y3336 WeakPolarHBondContact O-CB 3.3Å; I3332-Y3336 PolarHBondContact O-N 3.12Å |
| 3333 | L | 83.2 | Confident | 75.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 179.9 | -66.4 | 175.2 | 0 | 0 | 0 | 112.5 | L3210 F3307 V3329 P3330 E3331 Y3336 M3337 L3472 L3475 L3476 L3479 | L3210-L3333 HydrophobicContact CD1-CD2 3.99Å; F3307-L3333 HydrophobicContact CD1-CD2 3.93Å; F3307-L3333 HydrophobicContact CE1-CD2 3.63Å; F3307-L3333 HydrophobicContact CZ-CD2 4.3Å; V3329-L3333 HydrophobicContact CG1-CD1 3.71Å; V3329-L3333 HydrophobicContact CG1-CG 3.99Å; V3329-L3333 WeakPolarHBondContact O-CB 3.3Å; V3329-L3333 VanDerWaalsContact O-CG 3.27Å; V3329-L3333 WeakPolarHBondContact O-CG 3.17Å; V3329-L3333 PolarHBondContact O-N 2.92Å; P3330-L3333 PolarHBondContact O-N 3.09Å; E3331-L3333 VanDerWaalsContact C-N 3.34Å; L3333-Y3336 WeakPolarHBondContact O-CB 3.36Å; L3333-Y3336 PolarHBondContact O-N 2.94Å; L3333-M3337 VanDerWaalsContact O-CB 3.27Å; L3333-M3337 WeakPolarHBondContact O-CB 3.43Å; L3333-M3337 VanDerWaalsContact O-CG 3.31Å; L3333-M3337 WeakPolarHBondContact O-CG 3.37Å; L3333-M3337 PolarHBondContact O-N 3.2Å; L3333-L3472 HydrophobicContact CB-CG 4.47Å; L3333-L3472 HydrophobicContact CD2-CD1 4.05Å; L3333-L3472 HydrophobicContact CD2-CG 4.24Å; L3333-L3475 HydrophobicContact CD1-CB 4.43Å; L3333-L3475 HydrophobicContact CD1-CD2 3.56Å; L3333-L3475 HydrophobicContact CD1-CG 3.64Å; L3333-L3475 HydrophobicContact CD2-CD2 4.34Å; L3333-L3476 HydrophobicContact CB-CD1 4.33Å; L3333-L3476 HydrophobicContact CD1-CB 4.44Å; L3333-L3479 HydrophobicContact CD1-CD1 4.38Å |
| 3334 | I | 80 | Confident | 74.4 | Confident | 7.66667 Ų | 7.66667 | 36.3 Ų | 36.3 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.3 | -69.4 | 163.6 | 0 | 0 | 0 | 110.4 | P3330 E3331 Y3336 M3337 L3338 V3380 Y3384 L3387 L3476 L3577 L3580 F3581 I3589 | P3330-I3334 WeakPolarHBondContact O-CB 3.41Å; P3330-I3334 WeakPolarHBondContact O-CD1 3.23Å; P3330-I3334 VanDerWaalsContact O-CG1 3.27Å; P3330-I3334 WeakPolarHBondContact O-CG1 3.37Å; P3330-I3334 PolarHBondContact O-N 3.38Å; E3331-I3334 PolarHBondContact O-N 2.97Å; I3334-Y3336 VanDerWaalsContact C-N 3.3Å; I3334-Y3336 PolarHBondContact O-N 3.02Å; I3334-M3337 PolarHBondContact O-N 3.23Å; I3334-L3338 HydrophobicContact CG2-CD1 3.92Å; I3334-L3338 HydrophobicContact CG2-CG 4.43Å; I3334-L3338 WeakPolarHBondContact O-CB 3.25Å; I3334-L3338 VanDerWaalsContact O-CG 3.27Å; I3334-L3338 WeakPolarHBondContact O-CG 3.28Å; I3334-L3338 PolarHBondContact O-N 3.1Å; I3334-V3380 HydrophobicContact CG2-CG1 4.39Å; I3334-Y3384 HydrophobicContact CB-CD2 4.43Å; I3334-Y3384 HydrophobicContact CG2-CD2 3.71Å; I3334-Y3384 HydrophobicContact CG2-CG 4.36Å; I3334-L3387 HydrophobicContact CD1-CD2 3.59Å; I3334-L3476 HydrophobicContact CD1-CD1 4.12Å; I3334-L3476 HydrophobicContact CG1-CD1 3.83Å; I3334-L3476 HydrophobicContact CG1-CD2 3.81Å; I3334-L3476 HydrophobicContact CG1-CG 4.43Å; I3334-L3577 HydrophobicContact CD1-CD2 3.7Å; I3334-L3580 HydrophobicContact CD1-CD1 4.13Å; I3334-L3580 HydrophobicContact CG2-CD1 4.39Å; I3334-L3580 HydrophobicContact CG2-CD2 4.44Å; I3334-F3581 HydrophobicContact CD1-CE2 3.62Å; I3334-F3581 HydrophobicContact CD1-CZ 4.03Å; I3334-I3589 HydrophobicContact CG2-CD1 4.03Å; I3334-I3589 HydrophobicContact CG2-CG1 4.44Å |
| 3335 | N | 75.2 | Confident | 72.9 | Confident | 76.6667 Ų | 76.6667 | 40 Ų | 40 | 41% | 0.41 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63 | -40.7 | 175.8 | -75.9 | -45.2 | 0 | 0 | 0 | 111.8 | E3331 I3332 M3337 L3338 S3339 Y3384 | E3331-N3335 VanDerWaalsContact O-CB 3.3Å; E3331-N3335 WeakPolarHBondContact O-CB 3.22Å; E3331-N3335 PolarHBondContact O-N 3.34Å; E3331-N3335 VanDerWaalsContact O-N 3.11Å; E3331-N3335 PolarHBondContact O-ND2 3.01Å; I3332-N3335 PolarHBondContact O-N 3.11Å; N3335-M3337 PolarHBondContact O-N 2.92Å; N3335-L3338 PolarHBondContact O-N 3.08Å; N3335-S3339 WeakPolarHBondContact O-CB 3.41Å; N3335-S3339 PolarHBondContact O-N 2.96Å; N3335-S3339 VanDerWaalsContact O-N 3.14Å; N3335-S3339 PolarHBondContact O-OG 3.31Å; N3335-Y3384 PolarHBondContact ND2-OH 3.07Å; N3335-Y3384 VanDerWaalsContact ND2-OH 3.09Å; N3335-Y3384 VanDerWaalsContact OD1-CE2 3.3Å; N3335-Y3384 WeakPolarHBondContact OD1-CE2 3.5Å; N3335-Y3384 VanDerWaalsContact OD1-CZ 3.31Å; N3335-Y3384 PolarHBondContact OD1-OH 3.01Å |
| 3336 | Y | 76.6 | Confident | 71.3 | Confident | 10.6667 Ų | 10.6667 | 42.1 Ų | 42.1 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 175.2 | -167.4 | -89 | 0 | 0 | 0 | 111.8 | L3210 F3212 P3214 W3303 F3307 I3332 L3333 I3334 L3338 S3339 Y3340 L3472 | L3210-Y3336 HydrophobicContact CD2-CD2 4.48Å; L3210-Y3336 WeakPolarHBondContact O-CD2 3.38Å; L3210-Y3336 WeakPolarHBondContact O-CE2 3.43Å; F3212-Y3336 WeakPolarHBondContact O-CE2 3.22Å; F3212-Y3336 PolarHBondContact O-OH 3.46Å; P3214-Y3336 HydrophobicContact CB-CE2 4.17Å; P3214-Y3336 WeakPolarHBondContact CD-OH 3.48Å; P3214-Y3336 HydrophobicContact CG-CD2 4.26Å; P3214-Y3336 HydrophobicContact CG-CE1 3.95Å; P3214-Y3336 HydrophobicContact CG-CE2 3.54Å; P3214-Y3336 WeakPolarHBondContact CG-OH 3.41Å; W3303-Y3336 HydrophobicContact CB-CE2 4.44Å; W3303-Y3336 AromaticContact CD1-CE2 3.66Å; W3303-Y3336 AromaticContact CD1-CZ 3.68Å; W3303-Y3336 AromaticContact CD2-CE2 3.81Å; W3303-Y3336 HydrophobicContact CD2-CE2 3.81Å; W3303-Y3336 AromaticContact CE2-CE2 3.9Å; W3303-Y3336 VanDerWaalsContact CE2-OH 3.22Å; W3303-Y3336 HydrophobicContact CE3-CE2 4.46Å; W3303-Y3336 AromaticContact CG-CE2 3.74Å; W3303-Y3336 HydrophobicContact CG-CE2 3.74Å; W3303-Y3336 AromaticContact CG-CZ 3.78Å; W3303-Y3336 AromaticContact CH2-CE1 3.83Å; W3303-Y3336 HydrophobicContact CH2-CE1 3.83Å; W3303-Y3336 AromaticContact CH2-CE2 3.97Å; W3303-Y3336 HydrophobicContact CH2-CE2 3.97Å; W3303-Y3336 AromaticContact CH2-CZ 3.84Å; W3303-Y3336 VanDerWaalsContact CH2-OH 3.25Å; W3303-Y3336 WeakPolarHBondContact CH2-OH 3.46Å; W3303-Y3336 HydrophobicContact CZ2-CE1 4.15Å; W3303-Y3336 HydrophobicContact CZ2-CE2 4.46Å; W3303-Y3336 WeakPolarHBondContact CZ2-OH 3.32Å; W3303-Y3336 HydrophobicContact CZ3-CE1 4.12Å; W3303-Y3336 HydrophobicContact CZ3-CE2 4.33Å; W3303-Y3336 AromaticContact NE1-CE2 3.75Å; F3307-Y3336 HydrophobicContact CE2-CD1 4.45Å; F3307-Y3336 HydrophobicContact CE2-CE1 4.24Å; F3307-Y3336 AromaticContact CZ-CD1 3.79Å; F3307-Y3336 HydrophobicContact CZ-CD1 4.09Å; F3307-Y3336 AromaticContact CZ-CE1 3.75Å; F3307-Y3336 HydrophobicContact CZ-CE1 3.98Å; F3307-Y3336 HydrophobicContact CZ-CE2 4.45Å; F3307-Y3336 HydrophobicContact CZ-CG 4.26Å; I3332-Y3336 WeakPolarHBondContact O-CB 3.3Å; I3332-Y3336 PolarHBondContact O-N 3.12Å; L3333-Y3336 WeakPolarHBondContact O-CB 3.36Å; L3333-Y3336 PolarHBondContact O-N 2.94Å; I3334-Y3336 VanDerWaalsContact C-N 3.3Å; I3334-Y3336 PolarHBondContact O-N 3.02Å; Y3336-L3338 PolarHBondContact O-N 3.09Å; Y3336-S3339 CarbonylContact O-C 3.56Å; Y3336-S3339 PolarHBondContact O-N 3.18Å; Y3336-S3339 VanDerWaalsContact O-N 3.12Å; Y3336-S3339 PolarHBondContact O-OG 3.38Å; Y3336-Y3340 AromaticContact CD1-CD2 3.97Å; Y3336-Y3340 HydrophobicContact CD1-CD2 4.17Å; Y3336-Y3340 AromaticContact CD2-CD2 3.87Å; Y3336-Y3340 HydrophobicContact CD2-CD2 4.15Å; Y3336-Y3340 HydrophobicContact CD2-CE2 4.2Å; Y3336-Y3340 AromaticContact CE1-CD2 3.86Å; Y3336-Y3340 HydrophobicContact CE1-CD2 3.9Å; Y3336-Y3340 HydrophobicContact CE1-CE2 4.2Å; Y3336-Y3340 AromaticContact CE2-CD2 3.88Å; Y3336-Y3340 HydrophobicContact CE2-CD2 3.88Å; Y3336-Y3340 AromaticContact CE2-CE2 3.71Å; Y3336-Y3340 HydrophobicContact CE2-CE2 3.71Å; Y3336-Y3340 AromaticContact CG-CD2 3.94Å; Y3336-Y3340 HydrophobicContact CG-CD2 3.94Å; Y3336-Y3340 AromaticContact CZ-CD2 3.76Å; Y3336-Y3340 AromaticContact CZ-CE2 3.5Å; Y3336-Y3340 VanDerWaalsContact CZ-CE2 3.5Å; Y3336-Y3340 WeakPolarHBondContact O-CB 3.42Å; Y3336-Y3340 PolarHBondContact O-N 2.89Å; Y3336-Y3340 VanDerWaalsContact O-N 3.14Å; Y3336-Y3340 WeakPolarHBondContact OH-CE2 3.34Å; Y3336-L3472 HydrophobicContact CD1-CD1 3.69Å; Y3336-L3472 HydrophobicContact CE1-CD1 3.96Å |
| 3337 | M | 77.1 | Confident | 69.6 | Low | 16.6667 Ų | 16.6667 | 38.3 Ų | 38.3 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 176.5 | -101.5 | 179.9 | 71.1 | 0 | 0 | 112.4 | L3333 I3334 N3335 S3339 Y3340 E3341 L3469 L3472 L3473 L3476 L3593 L3597 | L3333-M3337 VanDerWaalsContact O-CB 3.27Å; L3333-M3337 WeakPolarHBondContact O-CB 3.43Å; L3333-M3337 VanDerWaalsContact O-CG 3.31Å; L3333-M3337 WeakPolarHBondContact O-CG 3.37Å; L3333-M3337 PolarHBondContact O-N 3.2Å; I3334-M3337 PolarHBondContact O-N 3.23Å; N3335-M3337 PolarHBondContact O-N 2.92Å; M3337-S3339 PolarHBondContact O-N 2.97Å; M3337-Y3340 WeakPolarHBondContact O-CB 3.4Å; M3337-Y3340 PolarHBondContact O-N 3.36Å; M3337-Y3340 VanDerWaalsContact O-N 3.12Å; M3337-E3341 WeakPolarHBondContact O-CB 3.38Å; M3337-E3341 PolarHBondContact O-N 2.68Å; M3337-L3469 HydrophobicContact CG-CD1 4.09Å; M3337-L3469 HydrophobicContact SD-CD1 4.33Å; M3337-L3472 HydrophobicContact CB-CD1 4.41Å; M3337-L3472 HydrophobicContact CB-CD2 3.91Å; M3337-L3472 HydrophobicContact CG-CD1 4.04Å; M3337-L3472 HydrophobicContact CG-CD2 3.74Å; M3337-L3472 HydrophobicContact CG-CG 4.42Å; M3337-L3472 HydrophobicContact SD-CD2 3.61Å; M3337-L3472 WeakPolarHBondContact SD-CD2 3.45Å; M3337-L3473 HydrophobicContact CE-CD2 3.3Å; M3337-L3473 HydrophobicContact CE-CG 4.06Å; M3337-L3473 HydrophobicContact SD-CD2 3.8Å; M3337-L3473 HydrophobicContact SD-CG 4.32Å; M3337-L3476 HydrophobicContact SD-CD2 3.58Å; M3337-L3476 VanDerWaalsContact SD-CD2 3.58Å; M3337-L3593 HydrophobicContact CE-CD2 3.97Å; M3337-L3597 HydrophobicContact CE-CD1 3.59Å; M3337-L3597 VanDerWaalsContact CE-CD1 3.46Å; M3337-L3597 HydrophobicContact CG-CD1 4.05Å; M3337-L3597 HydrophobicContact CG-CD2 4.35Å; M3337-L3597 HydrophobicContact SD-CD1 3.65Å |
| 3338 | L | 72.4 | Confident | 67.7 | Low | 41.3333 Ų | 41.3333 | 42.9 Ų | 42.9 | 22% | 0.216 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.2 | -26 | 179.1 | -70.5 | 172.5 | 0 | 0 | 0 | 112.9 | I3334 N3335 Y3336 V3380 Y3384 I3589 R3592 | I3334-L3338 HydrophobicContact CG2-CD1 3.92Å; I3334-L3338 HydrophobicContact CG2-CG 4.43Å; I3334-L3338 WeakPolarHBondContact O-CB 3.25Å; I3334-L3338 VanDerWaalsContact O-CG 3.27Å; I3334-L3338 WeakPolarHBondContact O-CG 3.28Å; I3334-L3338 PolarHBondContact O-N 3.1Å; N3335-L3338 PolarHBondContact O-N 3.08Å; Y3336-L3338 PolarHBondContact O-N 3.09Å; L3338-V3380 HydrophobicContact CD1-CG1 4.31Å; L3338-V3380 HydrophobicContact CD2-CB 4.19Å; L3338-V3380 HydrophobicContact CD2-CG1 3.68Å; L3338-V3380 HydrophobicContact CG-CG1 4Å; L3338-Y3384 HydrophobicContact CD1-CG 4.37Å; L3338-I3589 HydrophobicContact CD1-CG1 4.25Å; L3338-I3589 HydrophobicContact CD2-CG1 4.47Å; L3338-R3592 HydrophobicContact CD2-CB 4.23Å; L3338-R3592 HydrophobicContact CD2-CG 4.2Å |
| 3339 | S | 68.9 | Low | 65.5 | Low | 57.3333 Ų | 57.3333 | 45.1 Ų | 45.1 | 40% | 0.401 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -85.3 | -22.9 | 176.2 | -32.9 | 0 | 0 | 0 | 0 | 113.7 | T3216 L3219 N3335 Y3336 M3337 E3341 | T3216-S3339 WeakPolarHBondContact CG2-OG 3.39Å; L3219-S3339 WeakPolarHBondContact CD1-O 3.39Å; N3335-S3339 WeakPolarHBondContact O-CB 3.41Å; N3335-S3339 PolarHBondContact O-N 2.96Å; N3335-S3339 VanDerWaalsContact O-N 3.14Å; N3335-S3339 PolarHBondContact O-OG 3.31Å; Y3336-S3339 CarbonylContact O-C 3.56Å; Y3336-S3339 PolarHBondContact O-N 3.18Å; Y3336-S3339 VanDerWaalsContact O-N 3.12Å; Y3336-S3339 PolarHBondContact O-OG 3.38Å; M3337-S3339 PolarHBondContact O-N 2.97Å; S3339-E3341 PolarHBondContact O-N 3.11Å |
| 3340 | Y | 68.5 | Low | 62.9 | Low | 42.6667 Ų | 42.6667 | 50.3 Ų | 50.3 | 17% | 0.167 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -93 | 24.4 | -172.9 | -102 | -84.6 | 0 | 0 | 0 | 114.1 | S3213 P3214 N3215 S3299 Y3336 M3337 V3342 M3343 L3344 | S3213-Y3340 WeakPolarHBondContact CB-OH 3.26Å; P3214-Y3340 VanDerWaalsContact CD-CG 3.49Å; P3214-Y3340 HydrophobicContact CG-CD1 4.09Å; P3214-Y3340 HydrophobicContact CG-CD2 4.13Å; P3214-Y3340 HydrophobicContact CG-CG 3.75Å; N3215-Y3340 HydrophobicContact CB-CE2 4.36Å; N3215-Y3340 PolarHBondContact ND2-OH 3.47Å; S3299-Y3340 PolarHBondContact OG-OH 3.45Å; Y3336-Y3340 AromaticContact CD1-CD2 3.97Å; Y3336-Y3340 HydrophobicContact CD1-CD2 4.17Å; Y3336-Y3340 AromaticContact CD2-CD2 3.87Å; Y3336-Y3340 HydrophobicContact CD2-CD2 4.15Å; Y3336-Y3340 HydrophobicContact CD2-CE2 4.2Å; Y3336-Y3340 AromaticContact CE1-CD2 3.86Å; Y3336-Y3340 HydrophobicContact CE1-CD2 3.9Å; Y3336-Y3340 HydrophobicContact CE1-CE2 4.2Å; Y3336-Y3340 AromaticContact CE2-CD2 3.88Å; Y3336-Y3340 HydrophobicContact CE2-CD2 3.88Å; Y3336-Y3340 AromaticContact CE2-CE2 3.71Å; Y3336-Y3340 HydrophobicContact CE2-CE2 3.71Å; Y3336-Y3340 AromaticContact CG-CD2 3.94Å; Y3336-Y3340 HydrophobicContact CG-CD2 3.94Å; Y3336-Y3340 AromaticContact CZ-CD2 3.76Å; Y3336-Y3340 AromaticContact CZ-CE2 3.5Å; Y3336-Y3340 VanDerWaalsContact CZ-CE2 3.5Å; Y3336-Y3340 WeakPolarHBondContact O-CB 3.42Å; Y3336-Y3340 PolarHBondContact O-N 2.89Å; Y3336-Y3340 VanDerWaalsContact O-N 3.14Å; Y3336-Y3340 WeakPolarHBondContact OH-CE2 3.34Å; M3337-Y3340 WeakPolarHBondContact O-CB 3.4Å; M3337-Y3340 PolarHBondContact O-N 3.36Å; M3337-Y3340 VanDerWaalsContact O-N 3.12Å; Y3340-V3342 PolarHBondContact O-N 3.25Å; Y3340-V3342 VanDerWaalsContact O-N 3.08Å; Y3340-M3343 HydrophobicContact CD1-CB 4.2Å; Y3340-M3343 HydrophobicContact CD1-CG 4.05Å; Y3340-M3343 HydrophobicContact CD1-SD 4.03Å; Y3340-M3343 HydrophobicContact CD2-CB 4.34Å; Y3340-M3343 HydrophobicContact CD2-SD 4.25Å; Y3340-M3343 HydrophobicContact CE1-CB 3.97Å; Y3340-M3343 HydrophobicContact CE2-CB 4.12Å; Y3340-M3343 HydrophobicContact CE2-CE 3.93Å; Y3340-M3343 HydrophobicContact CE2-CG 4.43Å; Y3340-M3343 HydrophobicContact CE2-SD 3.49Å; Y3340-M3343 WeakPolarHBondContact CE2-SD 3.4Å; Y3340-M3343 HydrophobicContact CG-CB 4.39Å; Y3340-M3343 HydrophobicContact CG-CG 4.46Å; Y3340-M3343 HydrophobicContact CG-SD 4.16Å; Y3340-M3343 PolarHBondContact O-N 3.18Å; Y3340-M3343 WeakPolarHBondContact OH-CE 3.35Å; Y3340-L3344 HydrophobicContact CD1-CD1 3.82Å; Y3340-L3344 HydrophobicContact CD1-CG 3.87Å; Y3340-L3344 HydrophobicContact CE1-CD1 4.03Å; Y3340-L3344 HydrophobicContact CE1-CD2 4.21Å; Y3340-L3344 HydrophobicContact CE1-CG 3.75Å; Y3340-L3344 PolarHBondContact O-N 3.23Å |
| 3341 | E | 60.2 | Low | 60.4 | Low | 51.3333 Ų | 51.3333 | 54.6 Ų | 54.6 | 24% | 0.24 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -50.3 | -34.7 | -178.2 | -160.9 | -178.1 | 153.2 | 0 | 0 | 113.9 | M3337 S3339 M3343 L3344 K3345 Y3373 R3592 S3596 L3597 | M3337-E3341 WeakPolarHBondContact O-CB 3.38Å; M3337-E3341 PolarHBondContact O-N 2.68Å; S3339-E3341 PolarHBondContact O-N 3.11Å; E3341-M3343 VanDerWaalsContact C-N 3.31Å; E3341-M3343 PolarHBondContact O-N 3.36Å; E3341-L3344 PolarHBondContact O-N 3.15Å; E3341-K3345 HydrophobicContact CG-CD 4.29Å; E3341-K3345 WeakPolarHBondContact O-CG 3.27Å; E3341-K3345 PolarHBondContact O-N 3.15Å; E3341-K3345 VanDerWaalsContact O-N 3.13Å; E3341-K3345 VanDerWaalsContact OE1-CE 3.26Å; E3341-K3345 WeakPolarHBondContact OE1-CE 3.25Å; E3341-K3345 IonicContact OE1-NZ 3.3Å; E3341-K3345 PolarHBondContact OE1-NZ 3.1Å; E3341-Y3373 WeakPolarHBondContact CG-OH 3.4Å; E3341-Y3373 PolarHBondContact OE1-OH 2.74Å; E3341-R3592 VanDerWaalsContact CD-NH2 3.29Å; E3341-R3592 IonicContact OE1-CZ 3.66Å; E3341-R3592 IonicContact OE1-NH2 3.76Å; E3341-R3592 PolarHBondContact OE1-NH2 3.41Å; E3341-R3592 IonicContact OE2-CZ 3.12Å; E3341-R3592 IonicContact OE2-NE 2.95Å; E3341-R3592 PolarHBondContact OE2-NE 3.12Å; E3341-R3592 IonicContact OE2-NH1 2.69Å; E3341-R3592 IonicContact OE2-NH2 3.56Å; E3341-R3592 PolarHBondContact OE2-NH2 3.41Å; E3341-S3596 PolarHBondContact OE1-OG 2.98Å; E3341-L3597 HydrophobicContact CG-CD2 3.68Å |
| 3342 | V | 56.6 | Low | 57.8 | Low | 100 Ų | 100 | 59.6 Ų | 59.6 | 61% | 0.606 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66 | -36.7 | 177.9 | -177.1 | 0 | 0 | 0 | 0 | 112 | Y3340 L3344 K3345 T3346 | Y3340-V3342 PolarHBondContact O-N 3.25Å; Y3340-V3342 VanDerWaalsContact O-N 3.08Å; V3342-L3344 VanDerWaalsContact C-N 3.3Å; V3342-L3344 PolarHBondContact O-N 3.25Å; V3342-K3345 CarbonylContact O-C 3.29Å; V3342-K3345 PolarHBondContact O-N 3.25Å; V3342-K3345 VanDerWaalsContact O-N 3.09Å; V3342-T3346 HydrophobicContact CG1-CG2 4.31Å; V3342-T3346 WeakPolarHBondContact O-CG2 3.41Å; V3342-T3346 PolarHBondContact O-N 3.21Å; V3342-T3346 VanDerWaalsContact O-N 3.13Å; V3342-T3346 PolarHBondContact O-OG1 2.93Å |
| 3343 | M | 56 | Low | 55.3 | Low | 26 Ų | 26 | 61.6 Ų | 61.6 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -73.1 | -28.9 | -179.4 | -78.5 | -173 | 73.4 | 0 | 0 | 112.8 | P3214 N3215 C3297 Y3340 E3341 T3346 | P3214-M3343 HydrophobicContact CB-CB 4.28Å; P3214-M3343 HydrophobicContact CB-CE 3.76Å; P3214-M3343 HydrophobicContact CB-SD 3.67Å; P3214-M3343 HydrophobicContact CG-CB 4.18Å; P3214-M3343 HydrophobicContact CG-CE 4.45Å; P3214-M3343 HydrophobicContact CG-SD 3.7Å; N3215-M3343 WeakPolarHBondContact OD1-CE 3.23Å; C3297-M3343 HydrophobicContact CB-CE 3.86Å; C3297-M3343 VanDerWaalsContact SG-CE 3.56Å; Y3340-M3343 HydrophobicContact CD1-CB 4.2Å; Y3340-M3343 HydrophobicContact CD1-CG 4.05Å; Y3340-M3343 HydrophobicContact CD1-SD 4.03Å; Y3340-M3343 HydrophobicContact CD2-CB 4.34Å; Y3340-M3343 HydrophobicContact CD2-SD 4.25Å; Y3340-M3343 HydrophobicContact CE1-CB 3.97Å; Y3340-M3343 HydrophobicContact CE2-CB 4.12Å; Y3340-M3343 HydrophobicContact CE2-CE 3.93Å; Y3340-M3343 HydrophobicContact CE2-CG 4.43Å; Y3340-M3343 HydrophobicContact CE2-SD 3.49Å; Y3340-M3343 WeakPolarHBondContact CE2-SD 3.4Å; Y3340-M3343 HydrophobicContact CG-CB 4.39Å; Y3340-M3343 HydrophobicContact CG-CG 4.46Å; Y3340-M3343 HydrophobicContact CG-SD 4.16Å; Y3340-M3343 PolarHBondContact O-N 3.18Å; Y3340-M3343 WeakPolarHBondContact OH-CE 3.35Å; E3341-M3343 VanDerWaalsContact C-N 3.31Å; E3341-M3343 PolarHBondContact O-N 3.36Å; M3343-T3346 WeakPolarHBondContact CA-OG1 3.39Å; M3343-T3346 PolarHBondContact O-OG1 3.38Å; M3343-T3346 VanDerWaalsContact O-OG1 3.12Å |
| 3344 | L | 56.1 | Low | 52.6 | Low | 23.3333 Ų | 23.3333 | 67.9 Ų | 67.9 | 12% | 0.122 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -80.8 | -24.2 | 176.3 | -66.3 | 171.3 | 0 | 0 | 0 | 112.4 | S3300 W3303 F3307 Y3340 E3341 V3342 T3346 V3347 E3348 Y3373 Y3466 L3469 L3472 L3597 | S3300-L3344 PolarHBondContact OG-O 2.73Å; W3303-L3344 HydrophobicContact CB-CD2 4.24Å; W3303-L3344 HydrophobicContact CD2-CD2 4.21Å; W3303-L3344 HydrophobicContact CG-CD2 3.97Å; F3307-L3344 HydrophobicContact CE2-CD2 3.77Å; F3307-L3344 HydrophobicContact CZ-CD2 4.25Å; Y3340-L3344 HydrophobicContact CD1-CD1 3.82Å; Y3340-L3344 HydrophobicContact CD1-CG 3.87Å; Y3340-L3344 HydrophobicContact CE1-CD1 4.03Å; Y3340-L3344 HydrophobicContact CE1-CD2 4.21Å; Y3340-L3344 HydrophobicContact CE1-CG 3.75Å; Y3340-L3344 PolarHBondContact O-N 3.23Å; E3341-L3344 PolarHBondContact O-N 3.15Å; V3342-L3344 VanDerWaalsContact C-N 3.3Å; V3342-L3344 PolarHBondContact O-N 3.25Å; L3344-T3346 PolarHBondContact O-N 3.33Å; L3344-T3346 VanDerWaalsContact O-N 3.15Å; L3344-V3347 WeakPolarHBondContact O-CB 3.47Å; L3344-V3347 PolarHBondContact O-N 3.03Å; L3344-E3348 PolarHBondContact O-N 2.68Å; L3344-Y3373 HydrophobicContact CB-CE2 4.2Å; L3344-Y3466 HydrophobicContact CD2-CE1 3.99Å; L3344-L3469 HydrophobicContact CB-CB 4.32Å; L3344-L3472 HydrophobicContact CD1-CD1 4.02Å; L3344-L3597 HydrophobicContact CD1-CD2 4.24Å |
| 3345 | K | 53.6 | Low | 50 | Low | 78.3333 Ų | 78.3333 | 74.1 Ų | 74.1 | 34% | 0.341 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -84.6 | -21.9 | 178.9 | -74 | 177.6 | 174.3 | 177.1 | 0 | 113.7 | E3341 V3342 V3347 E3348 T3349 Y3373 T3465 Y3466 L3469 S3596 | E3341-K3345 HydrophobicContact CG-CD 4.29Å; E3341-K3345 WeakPolarHBondContact O-CG 3.27Å; E3341-K3345 PolarHBondContact O-N 3.15Å; E3341-K3345 VanDerWaalsContact O-N 3.13Å; E3341-K3345 VanDerWaalsContact OE1-CE 3.26Å; E3341-K3345 WeakPolarHBondContact OE1-CE 3.25Å; E3341-K3345 IonicContact OE1-NZ 3.3Å; E3341-K3345 PolarHBondContact OE1-NZ 3.1Å; V3342-K3345 CarbonylContact O-C 3.29Å; V3342-K3345 PolarHBondContact O-N 3.25Å; V3342-K3345 VanDerWaalsContact O-N 3.09Å; K3345-V3347 PolarHBondContact O-N 3.23Å; K3345-V3347 VanDerWaalsContact O-N 3.07Å; K3345-E3348 PolarHBondContact O-N 3.11Å; K3345-T3349 WeakPolarHBondContact O-CG2 3.44Å; K3345-T3349 PolarHBondContact O-N 3.12Å; K3345-T3349 PolarHBondContact O-OG1 3.01Å; K3345-T3349 VanDerWaalsContact O-OG1 3.06Å; K3345-Y3373 HydrophobicContact CD-CE2 4.37Å; K3345-Y3373 HydrophobicContact CG-CD2 3.88Å; K3345-Y3373 HydrophobicContact CG-CE2 3.71Å; K3345-T3465 VanDerWaalsContact O-CG2 3.23Å; K3345-T3465 WeakPolarHBondContact O-CG2 3.44Å; K3345-Y3466 HydrophobicContact CD-CD1 4.28Å; K3345-Y3466 HydrophobicContact CD-CE1 3.81Å; K3345-Y3466 HydrophobicContact CG-CD1 3.91Å; K3345-Y3466 HydrophobicContact CG-CE1 3.87Å; K3345-L3469 HydrophobicContact CG-CD2 4.34Å; K3345-S3596 PolarHBondContact NZ-O 2.77Å |
| 3346 | T | 48.3 | Very low | 47.6 | Very low | 71 Ų | 71 | 76.1 Ų | 76.1 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | trans | -69.8 | 13 | 177.4 | 37.7 | 0 | 0 | 0 | 0 | 113.9 | S3300 V3342 M3343 L3344 E3348 | S3300-T3346 PolarHBondContact N-O 2.86Å; V3342-T3346 HydrophobicContact CG1-CG2 4.31Å; V3342-T3346 WeakPolarHBondContact O-CG2 3.41Å; V3342-T3346 PolarHBondContact O-N 3.21Å; V3342-T3346 VanDerWaalsContact O-N 3.13Å; V3342-T3346 PolarHBondContact O-OG1 2.93Å; M3343-T3346 WeakPolarHBondContact CA-OG1 3.39Å; M3343-T3346 PolarHBondContact O-OG1 3.38Å; M3343-T3346 VanDerWaalsContact O-OG1 3.12Å; L3344-T3346 PolarHBondContact O-N 3.33Å; L3344-T3346 VanDerWaalsContact O-N 3.15Å; T3346-E3348 VanDerWaalsContact C-N 3.27Å; T3346-E3348 PolarHBondContact O-N 2.89Å | ||
| 3347 | V | 44.3 | Very low | 45.2 | Very low | 70.6667 Ų | 70.6667 | 80.6 Ų | 80.6 | 43% | 0.428 | 50% | 0.503 | S | S | . | . | trans | -87 | -15.5 | 169.3 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | V3296 L3344 K3345 T3349 S3350 I3464 T3465 | V3296-V3347 HydrophobicContact CG1-CG2 3.84Å; L3344-V3347 WeakPolarHBondContact O-CB 3.47Å; L3344-V3347 PolarHBondContact O-N 3.03Å; K3345-V3347 PolarHBondContact O-N 3.23Å; K3345-V3347 VanDerWaalsContact O-N 3.07Å; V3347-T3349 PolarHBondContact O-N 3.17Å; V3347-S3350 PolarHBondContact O-OG 3.46Å; V3347-I3464 HydrophobicContact CG1-CG2 4.35Å; V3347-I3464 HydrophobicContact CG2-CG2 4.07Å; V3347-T3465 VanDerWaalsContact CG2-CA 3.5Å; V3347-T3465 HydrophobicContact CG2-CG2 4.41Å; V3347-T3465 WeakPolarHBondContact CG2-OG1 3.42Å | ||
| 3348 | E | 38.8 | Very low | 42.9 | Very low | 115 Ų | 115 | 85.9 Ų | 85.9 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | trans | -82 | 14.1 | -178 | -66.8 | 177.2 | 136.7 | 0 | 0 | 112.9 | L3344 K3345 T3346 S3350 A3351 Y3373 | L3344-E3348 PolarHBondContact O-N 2.68Å; K3345-E3348 PolarHBondContact O-N 3.11Å; T3346-E3348 VanDerWaalsContact C-N 3.27Å; T3346-E3348 PolarHBondContact O-N 2.89Å; E3348-S3350 PolarHBondContact O-N 3.3Å; E3348-A3351 PolarHBondContact O-N 3.17Å; E3348-Y3373 WeakPolarHBondContact OE1-CB 3.37Å; E3348-Y3373 PolarHBondContact OE1-N 3.14Å | ||
| 3349 | T | 33.3 | Very low | 40.8 | Very low | 117.667 Ų | 117.667 | 88.8 Ų | 88.8 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | trans | -102.1 | 30.1 | -174.9 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | K3345 V3347 | K3345-T3349 WeakPolarHBondContact O-CG2 3.44Å; K3345-T3349 PolarHBondContact O-N 3.12Å; K3345-T3349 PolarHBondContact O-OG1 3.01Å; K3345-T3349 VanDerWaalsContact O-OG1 3.06Å; V3347-T3349 PolarHBondContact O-N 3.17Å | ||
| 3350 | S | 30.1 | Very low | 39 | Very low | 111.667 Ų | 111.667 | 94.5 Ų | 94.5 | 78% | 0.781 | 57% | 0.566 | S | S | * | * | trans | -132.8 | 46.4 | 172.3 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | V3347 E3348 | V3347-S3350 PolarHBondContact O-OG 3.46Å; E3348-S3350 PolarHBondContact O-N 3.3Å | ||
| 3351 | A | 28.5 | Very low | 37.3 | Very low | 92.6667 Ų | 92.6667 | 95.8 Ų | 95.8 | 77% | 0.766 | 59% | 0.586 | S | S | * | * | trans | -142.4 | 64.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E3348 G3353 | E3348-A3351 PolarHBondContact O-N 3.17Å; A3351-G3353 PolarHBondContact O-N 2.8Å | ||
| 3352 | S | 27 | Very low | 35.9 | Very low | 122.333 Ų | 122.333 | 97.4 Ų | 97.4 | 86% | 0.855 | 60% | 0.602 | S | S | * | * | trans | -122.6 | 77.2 | 162.8 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3353 | G | 26.1 | Very low | 34.8 | Very low | 60.6667 Ų | 60.6667 | 98.1 Ų | 98.1 | 63% | 0.625 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -153.9 | 116.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A3351 T3355 | A3351-G3353 PolarHBondContact O-N 2.8Å; G3353-T3355 PolarHBondContact O-N 3.03Å |
| 3354 | T | 27.3 | Very low | 33.6 | Very low | 132.333 Ų | 132.333 | 101.5 Ų | 101.5 | 81% | 0.812 | 64% | 0.635 | S | S | * | * | trans | -64.3 | 110.6 | 155.7 | 38.7 | 0 | 0 | 0 | 0 | 113.9 | T3356 | T3354-T3356 VanDerWaalsContact C-N 3.29Å; T3354-T3356 PolarHBondContact O-N 2.88Å | ||
| 3355 | T | 24.6 | Very low | 32.4 | Very low | 137 Ų | 137 | 103.5 Ų | 103.5 | 84% | 0.84 | 66% | 0.661 | S | S | * | * | trans | -29.7 | 94.9 | 156.6 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | G3353 S3357 | G3353-T3355 PolarHBondContact O-N 3.03Å; T3355-S3357 PolarHBondContact O-N 3.23Å | ||
| 3356 | T | 26.3 | Very low | 31.2 | Very low | 119.333 Ų | 119.333 | 108.5 Ų | 108.5 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | trans | -123.6 | 116.9 | 142.6 | 34.4 | 0 | 0 | 0 | 0 | 108.2 | T3354 I3358 | T3354-T3356 VanDerWaalsContact C-N 3.29Å; T3354-T3356 PolarHBondContact O-N 2.88Å; T3356-I3358 PolarHBondContact O-N 3.11Å | ||
| 3357 | S | 25.1 | Very low | 30.3 | Very low | 105 Ų | 105 | 112.3 Ų | 112.3 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | trans | -38.9 | 105.2 | 172.8 | 52.5 | 0 | 0 | 0 | 0 | 114.6 | T3355 P3359 | T3355-S3357 PolarHBondContact O-N 3.23Å; S3357-P3359 WeakPolarHBondContact O-CD 3.22Å; S3357-P3359 VanDerWaalsContact O-N 3.12Å | ||
| 3358 | I | 28.4 | Very low | 29.8 | Very low | 128.667 Ų | 128.667 | 117.6 Ų | 117.6 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | trans | -105.4 | 125.3 | 150.8 | -72 | 170.2 | 0 | 0 | 0 | 106.8 | Y3021 T3356 Y3360 | Y3021-I3358 HydrophobicContact CE1-CG2 4.43Å; T3356-I3358 PolarHBondContact O-N 3.11Å; I3358-Y3360 VanDerWaalsContact C-N 3.32Å; I3358-Y3360 HydrophobicContact CB-CD2 4.36Å; I3358-Y3360 HydrophobicContact CB-CE2 4.05Å; I3358-Y3360 HydrophobicContact CG2-CD2 4.37Å; I3358-Y3360 HydrophobicContact CG2-CE2 4.27Å; I3358-Y3360 VanDerWaalsContact O-CD2 3.23Å; I3358-Y3360 WeakPolarHBondContact O-CD2 3.13Å; I3358-Y3360 PolarHBondContact O-N 3.15Å; I3358-Y3360 VanDerWaalsContact O-N 3.14Å | ||
| 3359 | P | 27.8 | Very low | 29.6 | Very low | 101.333 Ų | 101.333 | 118.9 Ų | 118.9 | 66% | 0.658 | 72% | 0.722 | S | S | * | * | trans | -80.1 | 124.5 | -164.2 | 16.1 | -13 | 0 | 0 | 0 | 112 | S3357 A3361 | S3357-P3359 WeakPolarHBondContact O-CD 3.22Å; S3357-P3359 VanDerWaalsContact O-N 3.12Å; P3359-A3361 HydrophobicContact CB-CB 4.26Å; P3359-A3361 PolarHBondContact O-N 2.88Å | ||
| 3360 | Y | 32.6 | Very low | 29.7 | Very low | 177 Ų | 177 | 117.8 Ų | 117.8 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | trans | -54.8 | 89 | 169.1 | -90 | -97.2 | 0 | 0 | 0 | 112.7 | I3358 S3362 L3363 | I3358-Y3360 VanDerWaalsContact C-N 3.32Å; I3358-Y3360 HydrophobicContact CB-CD2 4.36Å; I3358-Y3360 HydrophobicContact CB-CE2 4.05Å; I3358-Y3360 HydrophobicContact CG2-CD2 4.37Å; I3358-Y3360 HydrophobicContact CG2-CE2 4.27Å; I3358-Y3360 VanDerWaalsContact O-CD2 3.23Å; I3358-Y3360 WeakPolarHBondContact O-CD2 3.13Å; I3358-Y3360 PolarHBondContact O-N 3.15Å; I3358-Y3360 VanDerWaalsContact O-N 3.14Å; Y3360-S3362 PolarHBondContact O-N 2.86Å; Y3360-S3362 VanDerWaalsContact O-N 3.1Å; Y3360-L3363 PolarHBondContact O-N 2.69Å | ||
| 3361 | A | 31.4 | Very low | 30.5 | Very low | 70.6667 Ų | 70.6667 | 120.7 Ų | 120.7 | 58% | 0.584 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -105.3 | 19.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S2977 P3359 L3363 | S2977-A3361 VanDerWaalsContact CB-C 3.47Å; S2977-A3361 WeakPolarHBondContact CB-O 3.42Å; P3359-A3361 HydrophobicContact CB-CB 4.26Å; P3359-A3361 PolarHBondContact O-N 2.88Å; A3361-L3363 PolarHBondContact O-N 2.93Å |
| 3362 | S | 31.3 | Very low | 31.9 | Very low | 84 Ų | 84 | 119.7 Ų | 119.7 | 59% | 0.587 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -108.9 | 12 | 161.3 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | E3023 Y3360 | E3023-S3362 WeakPolarHBondContact OE1-CB 3.13Å; E3023-S3362 PolarHBondContact OE1-OG 3.41Å; Y3360-S3362 PolarHBondContact O-N 2.86Å; Y3360-S3362 VanDerWaalsContact O-N 3.1Å |
| 3363 | L | 33 | Very low | 33.5 | Very low | 115.667 Ų | 115.667 | 115.7 Ų | 115.7 | 61% | 0.606 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -80.9 | 32.8 | 177.9 | -90.4 | 85.2 | 0 | 0 | 0 | 115.4 | Y3360 A3361 G3365 W3366 | Y3360-L3363 PolarHBondContact O-N 2.69Å; A3361-L3363 PolarHBondContact O-N 2.93Å; L3363-G3365 PolarHBondContact O-N 3.13Å; L3363-W3366 HydrophobicContact CB-CB 4.24Å; L3363-W3366 HydrophobicContact CD2-CB 4.24Å; L3363-W3366 HydrophobicContact CG-CB 4.29Å; L3363-W3366 HydrophobicContact CG-CG 4.31Å; L3363-W3366 PolarHBondContact O-N 3.04Å |
| 3364 | A | 30.8 | Very low | 35.3 | Very low | 98 Ų | 98 | 116.5 Ų | 116.5 | 81% | 0.81 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 38.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 3365 | G | 30.7 | Very low | 37 | Very low | 65.3333 Ų | 65.3333 | 113.2 Ų | 113.2 | 67% | 0.674 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 27.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | L3363 N3367 | L3363-G3365 PolarHBondContact O-N 3.13Å; G3365-N3367 PolarHBondContact O-N 3.25Å |
| 3366 | W | 29.7 | Very low | 39 | Very low | 182.667 Ų | 182.667 | 108.4 Ų | 108.4 | 69% | 0.692 | 60% | 0.599 | S | S | * | * | trans | -101 | 58.7 | -176 | -63.1 | 78.2 | 0 | 0 | 0 | 114.2 | L3363 Q3368 I3376 S3379 | L3363-W3366 HydrophobicContact CB-CB 4.24Å; L3363-W3366 HydrophobicContact CD2-CB 4.24Å; L3363-W3366 HydrophobicContact CG-CB 4.29Å; L3363-W3366 HydrophobicContact CG-CG 4.31Å; L3363-W3366 PolarHBondContact O-N 3.04Å; W3366-Q3368 VanDerWaalsContact C-N 3.28Å; W3366-Q3368 PolarHBondContact O-N 3.18Å; W3366-I3376 HydrophobicContact CH2-CG1 4.39Å; W3366-I3376 HydrophobicContact CZ3-CG1 4.47Å; W3366-S3379 VanDerWaalsContact CZ2-OG 3.29Å; W3366-S3379 WeakPolarHBondContact CZ2-OG 3.32Å | ||
| 3367 | N | 29.7 | Very low | 41.2 | Very low | 151.333 Ų | 151.333 | 104.6 Ų | 104.6 | 81% | 0.809 | 57% | 0.573 | S | S | * | * | trans | -71.7 | 96.1 | 167.8 | -68.4 | -33.1 | 0 | 0 | 0 | 110.9 | G3365 | G3365-N3367 PolarHBondContact O-N 3.25Š| ||
| 3368 | Q | 33.5 | Very low | 43.4 | Very low | 181.667 Ų | 181.667 | 103.3 Ų | 103.3 | 85% | 0.849 | 56% | 0.561 | S | S | * | * | trans | -174.7 | 67 | 147 | -103.2 | 163 | 15.1 | 0 | 0 | 114.4 | W3366 | W3366-Q3368 VanDerWaalsContact C-N 3.28Å; W3366-Q3368 PolarHBondContact O-N 3.18Å | ||
| 3369 | E | 34 | Very low | 45.4 | Very low | 142.667 Ų | 142.667 | 99 Ų | 99 | 67% | 0.667 | 54% | 0.542 | S | S | * | . | trans | 37.5 | 131.7 | 157.6 | -65.7 | -173.3 | 166 | 0 | 0 | 120.2 | R3371 | E3369-R3371 HydrophobicContact CB-CB 4.11Å; E3369-R3371 HydrophobicContact CB-CG 3.98Å; E3369-R3371 HydrophobicContact CG-CG 4.18Å; E3369-R3371 PolarHBondContact O-N 3.12Å; E3369-R3371 IonicContact OE1-CZ 3.2Å; E3369-R3371 IonicContact OE1-NE 3.36Å; E3369-R3371 PolarHBondContact OE1-NE 3.41Å; E3369-R3371 IonicContact OE1-NH2 3.44Å; E3369-R3371 PolarHBondContact OE1-NH2 2.9Å; E3369-R3371 WeakPolarHBondContact OE2-CD 3.28Å; E3369-R3371 IonicContact OE2-CZ 2.76Å; E3369-R3371 IonicContact OE2-NE 2.65Å; E3369-R3371 PolarHBondContact OE2-NE 3.15Å | ||
| 3370 | P | 36.5 | Very low | 47.6 | Very low | 93 Ų | 93 | 94.9 Ų | 94.9 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | trans | -70.4 | 101.9 | 170.1 | 23 | -22 | 0 | 0 | 0 | 112.3 | N3372 N3453 M3456 | P3370-N3372 VanDerWaalsContact C-N 3.33Å; P3370-N3372 PolarHBondContact O-N 2.99Å; P3370-N3372 VanDerWaalsContact O-N 3.1Å; P3370-N3453 HydrophobicContact CG-CB 4.05Å; P3370-N3453 WeakPolarHBondContact CG-OD1 3.22Å; P3370-M3456 HydrophobicContact CB-CB 4.46Å | ||
| 3371 | R | 46.4 | Very low | 49.5 | Very low | 173 Ų | 173 | 91 Ų | 91 | 65% | 0.653 | 50% | 0.502 | S | S | * | . | trans | -79.1 | 62.2 | -175.7 | -61.5 | -171.8 | -160.7 | -170.2 | 7.1 | 112.5 | E3369 C3375 I3376 | E3369-R3371 HydrophobicContact CB-CB 4.11Å; E3369-R3371 HydrophobicContact CB-CG 3.98Å; E3369-R3371 HydrophobicContact CG-CG 4.18Å; E3369-R3371 PolarHBondContact O-N 3.12Å; E3369-R3371 IonicContact OE1-CZ 3.2Å; E3369-R3371 IonicContact OE1-NE 3.36Å; E3369-R3371 PolarHBondContact OE1-NE 3.41Å; E3369-R3371 IonicContact OE1-NH2 3.44Å; E3369-R3371 PolarHBondContact OE1-NH2 2.9Å; E3369-R3371 WeakPolarHBondContact OE2-CD 3.28Å; E3369-R3371 IonicContact OE2-CZ 2.76Å; E3369-R3371 IonicContact OE2-NE 2.65Å; E3369-R3371 PolarHBondContact OE2-NE 3.15Å; R3371-C3375 WeakPolarHBondContact O-CB 3.39Å; R3371-C3375 PolarHBondContact O-N 3.32Å; R3371-I3376 HydrophobicContact CB-CD1 4.31Å | ||
| 3372 | N | 57.9 | Low | 51.7 | Low | 72.3333 Ų | 72.3333 | 95.3 Ų | 95.3 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | trans | -77 | 142.9 | -177.4 | -161.5 | 8.4 | 0 | 0 | 0 | 112.3 | P3370 D3374 C3375 I3376 Y3437 | P3370-N3372 VanDerWaalsContact C-N 3.33Å; P3370-N3372 PolarHBondContact O-N 2.99Å; P3370-N3372 VanDerWaalsContact O-N 3.1Å; N3372-D3374 VanDerWaalsContact C-N 3.3Å; N3372-D3374 PolarHBondContact ND2-OD2 3.17Å; N3372-D3374 PolarHBondContact O-N 2.74Å; N3372-C3375 WeakPolarHBondContact O-CB 3.5Å; N3372-C3375 PolarHBondContact O-N 2.85Å; N3372-I3376 VanDerWaalsContact O-CB 3.31Å; N3372-I3376 WeakPolarHBondContact O-CB 3.11Å; N3372-I3376 WeakPolarHBondContact O-CD1 3.34Å; N3372-I3376 WeakPolarHBondContact O-CG1 3.35Å; N3372-I3376 PolarHBondContact O-N 3.07Å; N3372-I3376 WeakPolarHBondContact OD1-CD1 3.49Å; N3372-Y3437 PolarHBondContact OD1-OH 3.45Å | ||
| 3373 | Y | 61 | Low | 53.6 | Low | 37.3333 Ų | 37.3333 | 92.3 Ų | 92.3 | 15% | 0.146 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -51.2 | -48.7 | 175.4 | 170.9 | -92.5 | 0 | 0 | 0 | 112.4 | E3341 L3344 K3345 E3348 C3375 I3376 Q3377 V3409 Y3410 M3413 V3460 L3463 | E3341-Y3373 WeakPolarHBondContact CG-OH 3.4Å; E3341-Y3373 PolarHBondContact OE1-OH 2.74Å; L3344-Y3373 HydrophobicContact CB-CE2 4.2Å; K3345-Y3373 HydrophobicContact CD-CE2 4.37Å; K3345-Y3373 HydrophobicContact CG-CD2 3.88Å; K3345-Y3373 HydrophobicContact CG-CE2 3.71Å; E3348-Y3373 WeakPolarHBondContact OE1-CB 3.37Å; E3348-Y3373 PolarHBondContact OE1-N 3.14Å; Y3373-C3375 VanDerWaalsContact C-N 3.27Å; Y3373-C3375 PolarHBondContact O-N 3.06Å; Y3373-I3376 PolarHBondContact O-N 3.2Å; Y3373-I3376 VanDerWaalsContact O-N 3.14Å; Y3373-Q3377 HydrophobicContact CE1-CB 4.37Å; Y3373-Q3377 HydrophobicContact CE1-CG 4.36Å; Y3373-Q3377 VanDerWaalsContact O-CB 3.24Å; Y3373-Q3377 WeakPolarHBondContact O-CB 3.35Å; Y3373-Q3377 PolarHBondContact O-N 3.1Å; Y3373-Q3377 PolarHBondContact OH-NE2 2.96Å; Y3373-Q3377 PolarHBondContact OH-OE1 3.43Å; Y3373-V3409 HydrophobicContact CD2-CG1 4.13Å; Y3373-V3409 HydrophobicContact CE2-CG1 3.68Å; Y3373-Y3410 HydrophobicContact CE2-CD1 4.49Å; Y3373-Y3410 HydrophobicContact CE2-CE1 4.38Å; Y3373-M3413 HydrophobicContact CD2-CE 3.69Å; Y3373-M3413 HydrophobicContact CD2-CG 4.06Å; Y3373-M3413 HydrophobicContact CD2-SD 3.85Å; Y3373-M3413 WeakPolarHBondContact CD2-SD 3.24Å; Y3373-M3413 HydrophobicContact CE2-CE 3.31Å; Y3373-M3413 HydrophobicContact CE2-SD 3.71Å; Y3373-M3413 HydrophobicContact CG-CE 3.68Å; Y3373-M3413 HydrophobicContact CG-SD 4.45Å; Y3373-V3460 HydrophobicContact CD2-CG1 4.33Å; Y3373-V3460 HydrophobicContact CD2-CG2 4.17Å; Y3373-V3460 HydrophobicContact CG-CG2 4.27Å; Y3373-L3463 HydrophobicContact CE2-CD2 4.12Å |
| 3374 | D | 62.7 | Low | 55.5 | Low | 78.3333 Ų | 78.3333 | 88.4 Ų | 88.4 | 42% | 0.419 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.6 | -34.2 | -178.7 | -63.4 | -41.5 | 0 | 0 | 0 | 112.4 | N3372 T3378 | N3372-D3374 VanDerWaalsContact C-N 3.3Å; N3372-D3374 PolarHBondContact ND2-OD2 3.17Å; N3372-D3374 PolarHBondContact O-N 2.74Å; D3374-T3378 WeakPolarHBondContact O-CA 3.31Å; D3374-T3378 WeakPolarHBondContact O-CB 3.41Å; D3374-T3378 PolarHBondContact O-N 3.06Å; D3374-T3378 PolarHBondContact O-OG1 2.99Å |
| 3375 | C | 64.3 | Low | 57.6 | Low | 63 Ų | 63 | 88 Ų | 88 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.9 | -45.2 | 178.1 | -107.3 | 0 | 0 | 0 | 0 | 111.9 | R3371 N3372 Y3373 T3378 S3379 Y3437 | R3371-C3375 WeakPolarHBondContact O-CB 3.39Å; R3371-C3375 PolarHBondContact O-N 3.32Å; N3372-C3375 WeakPolarHBondContact O-CB 3.5Å; N3372-C3375 PolarHBondContact O-N 2.85Å; Y3373-C3375 VanDerWaalsContact C-N 3.27Å; Y3373-C3375 PolarHBondContact O-N 3.06Å; C3375-T3378 PolarHBondContact O-N 2.92Å; C3375-S3379 VanDerWaalsContact O-CB 3.31Å; C3375-S3379 WeakPolarHBondContact O-CB 3.41Å; C3375-S3379 PolarHBondContact O-N 3.04Å; C3375-S3379 PolarHBondContact O-OG 3.39Å; C3375-Y3437 HydrophobicContact CB-CE1 4.23Å; C3375-Y3437 WeakPolarHBondContact SG-CE1 3.26Å |
| 3376 | I | 66.4 | Low | 59.6 | Low | 36 Ų | 36 | 88.6 Ų | 88.6 | 19% | 0.185 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.7 | -48.6 | 176.7 | -67.9 | 170.2 | 0 | 0 | 0 | 109.5 | W3366 R3371 N3372 Y3373 T3378 S3379 V3380 V3409 L3412 M3413 Y3437 | W3366-I3376 HydrophobicContact CH2-CG1 4.39Å; W3366-I3376 HydrophobicContact CZ3-CG1 4.47Å; R3371-I3376 HydrophobicContact CB-CD1 4.31Å; N3372-I3376 VanDerWaalsContact O-CB 3.31Å; N3372-I3376 WeakPolarHBondContact O-CB 3.11Å; N3372-I3376 WeakPolarHBondContact O-CD1 3.34Å; N3372-I3376 WeakPolarHBondContact O-CG1 3.35Å; N3372-I3376 PolarHBondContact O-N 3.07Å; N3372-I3376 WeakPolarHBondContact OD1-CD1 3.49Å; Y3373-I3376 PolarHBondContact O-N 3.2Å; Y3373-I3376 VanDerWaalsContact O-N 3.14Å; I3376-T3378 VanDerWaalsContact C-N 3.35Å; I3376-T3378 PolarHBondContact O-N 3.31Å; I3376-S3379 PolarHBondContact O-N 3.3Å; I3376-V3380 HydrophobicContact CG2-CG2 4.36Å; I3376-V3380 VanDerWaalsContact O-CB 3.26Å; I3376-V3380 WeakPolarHBondContact O-CB 3.34Å; I3376-V3380 WeakPolarHBondContact O-CG2 3.26Å; I3376-V3380 PolarHBondContact O-N 3.01Å; I3376-V3409 HydrophobicContact CG2-CG1 4.28Å; I3376-L3412 HydrophobicContact CG2-CB 4.02Å; I3376-L3412 HydrophobicContact CG2-CD1 4.13Å; I3376-M3413 HydrophobicContact CB-CE 4.49Å; I3376-M3413 HydrophobicContact CB-SD 4.33Å; I3376-M3413 HydrophobicContact CD1-CG 4.36Å; I3376-M3413 HydrophobicContact CD1-SD 3.64Å; I3376-M3413 HydrophobicContact CG1-SD 4.49Å; I3376-M3413 HydrophobicContact CG2-CE 4.47Å; I3376-Y3437 WeakPolarHBondContact CG1-OH 3.49Å |
| 3377 | Q | 71 | Confident | 61.7 | Low | 39.6667 Ų | 39.6667 | 80.3 Ų | 80.3 | 19% | 0.185 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 179.7 | -162.6 | -171.4 | 36.9 | 0 | 0 | 111.5 | Y3373 S3379 K3381 V3409 | Y3373-Q3377 HydrophobicContact CE1-CB 4.37Å; Y3373-Q3377 HydrophobicContact CE1-CG 4.36Å; Y3373-Q3377 VanDerWaalsContact O-CB 3.24Å; Y3373-Q3377 WeakPolarHBondContact O-CB 3.35Å; Y3373-Q3377 PolarHBondContact O-N 3.1Å; Y3373-Q3377 PolarHBondContact OH-NE2 2.96Å; Y3373-Q3377 PolarHBondContact OH-OE1 3.43Å; Q3377-S3379 PolarHBondContact O-N 2.97Å; Q3377-K3381 HydrophobicContact CG-CD 4.03Å; Q3377-K3381 HydrophobicContact CG-CG 4.39Å; Q3377-K3381 VanDerWaalsContact O-CB 3.31Å; Q3377-K3381 WeakPolarHBondContact O-CB 3.37Å; Q3377-K3381 VanDerWaalsContact O-CG 3.26Å; Q3377-K3381 WeakPolarHBondContact O-CG 3.3Å; Q3377-K3381 PolarHBondContact O-N 3.08Å; Q3377-V3409 HydrophobicContact CB-CG1 4.13Å; Q3377-V3409 HydrophobicContact CB-CG2 4.27Å; Q3377-V3409 HydrophobicContact CG-CG1 4.19Å; Q3377-V3409 HydrophobicContact CG-CG2 3.97Å |
| 3378 | T | 72.9 | Confident | 63.6 | Low | 78 Ų | 78 | 74.1 Ų | 74.1 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | D3374 C3375 I3376 R3382 | D3374-T3378 WeakPolarHBondContact O-CA 3.31Å; D3374-T3378 WeakPolarHBondContact O-CB 3.41Å; D3374-T3378 PolarHBondContact O-N 3.06Å; D3374-T3378 PolarHBondContact O-OG1 2.99Å; C3375-T3378 PolarHBondContact O-N 2.92Å; I3376-T3378 VanDerWaalsContact C-N 3.35Å; I3376-T3378 PolarHBondContact O-N 3.31Å; T3378-R3382 VanDerWaalsContact O-CB 3.24Å; T3378-R3382 WeakPolarHBondContact O-CB 3.37Å; T3378-R3382 PolarHBondContact O-N 2.81Å |
| 3379 | S | 70.7 | Confident | 65.5 | Low | 38.6667 Ų | 38.6667 | 72.1 Ų | 72.1 | 27% | 0.27 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.3 | -44.2 | 179 | -142.3 | 0 | 0 | 0 | 0 | 112.1 | W3366 C3375 I3376 Q3377 K3381 R3382 S3383 Y3435 | W3366-S3379 VanDerWaalsContact CZ2-OG 3.29Å; W3366-S3379 WeakPolarHBondContact CZ2-OG 3.32Å; C3375-S3379 VanDerWaalsContact O-CB 3.31Å; C3375-S3379 WeakPolarHBondContact O-CB 3.41Å; C3375-S3379 PolarHBondContact O-N 3.04Å; C3375-S3379 PolarHBondContact O-OG 3.39Å; I3376-S3379 PolarHBondContact O-N 3.3Å; Q3377-S3379 PolarHBondContact O-N 2.97Å; S3379-K3381 VanDerWaalsContact C-N 3.32Å; S3379-K3381 PolarHBondContact O-N 2.89Å; S3379-R3382 PolarHBondContact O-N 2.93Å; S3379-S3383 WeakPolarHBondContact O-CB 3.39Å; S3379-S3383 PolarHBondContact O-N 3.1Å; S3379-S3383 PolarHBondContact O-OG 3.14Å; S3379-Y3435 VanDerWaalsContact OG-CD1 3.28Å; S3379-Y3435 WeakPolarHBondContact OG-CD1 3.29Å; S3379-Y3435 WeakPolarHBondContact OG-CE1 3.14Å |
| 3380 | V | 72.1 | Confident | 67.2 | Low | 15.3333 Ų | 15.3333 | 69.9 Ų | 69.9 | 9% | 0.093 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | I3334 L3338 I3376 R3382 S3383 Y3384 L3405 L3408 V3409 L3412 | I3334-V3380 HydrophobicContact CG2-CG1 4.39Å; L3338-V3380 HydrophobicContact CD1-CG1 4.31Å; L3338-V3380 HydrophobicContact CD2-CB 4.19Å; L3338-V3380 HydrophobicContact CD2-CG1 3.68Å; L3338-V3380 HydrophobicContact CG-CG1 4Å; I3376-V3380 HydrophobicContact CG2-CG2 4.36Å; I3376-V3380 VanDerWaalsContact O-CB 3.26Å; I3376-V3380 WeakPolarHBondContact O-CB 3.34Å; I3376-V3380 WeakPolarHBondContact O-CG2 3.26Å; I3376-V3380 PolarHBondContact O-N 3.01Å; V3380-R3382 PolarHBondContact O-N 2.94Å; V3380-S3383 WeakPolarHBondContact O-CB 3.5Å; V3380-S3383 PolarHBondContact O-N 3.39Å; V3380-Y3384 WeakPolarHBondContact O-CB 3.37Å; V3380-Y3384 PolarHBondContact O-N 3.14Å; V3380-L3405 HydrophobicContact CG1-CB 4.43Å; V3380-L3405 HydrophobicContact CG1-CD1 3.4Å; V3380-L3405 VanDerWaalsContact CG1-CD1 3.4Å; V3380-L3405 HydrophobicContact CG1-CD2 3.8Å; V3380-L3405 HydrophobicContact CG1-CG 4.15Å; V3380-L3408 HydrophobicContact CG1-CD2 4.26Å; V3380-V3409 HydrophobicContact CB-CG2 3.98Å; V3380-V3409 HydrophobicContact CG1-CG2 3.85Å; V3380-V3409 HydrophobicContact CG2-CG2 4.08Å; V3380-L3412 HydrophobicContact CG2-CD1 3.82Å |
| 3381 | K | 74.1 | Confident | 68.8 | Low | 94.6667 Ų | 94.6667 | 66.2 Ų | 66.2 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 176.4 | -102.1 | 174.6 | -179.6 | 175 | 0 | 112.3 | Q3377 S3379 S3383 Y3384 N3385 L3405 | Q3377-K3381 HydrophobicContact CG-CD 4.03Å; Q3377-K3381 HydrophobicContact CG-CG 4.39Å; Q3377-K3381 VanDerWaalsContact O-CB 3.31Å; Q3377-K3381 WeakPolarHBondContact O-CB 3.37Å; Q3377-K3381 VanDerWaalsContact O-CG 3.26Å; Q3377-K3381 WeakPolarHBondContact O-CG 3.3Å; Q3377-K3381 PolarHBondContact O-N 3.08Å; S3379-K3381 VanDerWaalsContact C-N 3.32Å; S3379-K3381 PolarHBondContact O-N 2.89Å; K3381-S3383 VanDerWaalsContact C-N 3.31Å; K3381-S3383 PolarHBondContact O-N 3.1Å; K3381-Y3384 PolarHBondContact O-N 3.07Å; K3381-N3385 WeakPolarHBondContact O-CB 3.3Å; K3381-N3385 PolarHBondContact O-N 3.17Å; K3381-N3385 VanDerWaalsContact O-N 3.09Å; K3381-N3385 PolarHBondContact O-ND2 3.08Å; K3381-N3385 PolarHBondContact O-OD1 3.23Å; K3381-L3405 HydrophobicContact CG-CD2 4.09Å |
| 3382 | R | 76.1 | Confident | 69.8 | Low | 160.333 Ų | 160.333 | 63.8 Ų | 63.8 | 61% | 0.605 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.9 | -48.8 | 172.9 | -178.4 | -179.6 | -100.9 | 146 | -0.7 | 111.1 | T3378 S3379 V3380 Y3384 N3385 E3386 | T3378-R3382 VanDerWaalsContact O-CB 3.24Å; T3378-R3382 WeakPolarHBondContact O-CB 3.37Å; T3378-R3382 PolarHBondContact O-N 2.81Å; S3379-R3382 PolarHBondContact O-N 2.93Å; V3380-R3382 PolarHBondContact O-N 2.94Å; R3382-Y3384 VanDerWaalsContact C-N 3.33Å; R3382-Y3384 PolarHBondContact O-N 3.02Å; R3382-N3385 PolarHBondContact O-N 3.31Å; R3382-E3386 IonicContact NE-OE1 3.32Å; R3382-E3386 PolarHBondContact NE-OE1 3.2Å; R3382-E3386 WeakPolarHBondContact O-CG 3.33Å; R3382-E3386 PolarHBondContact O-N 2.99Å |
| 3383 | S | 71.3 | Confident | 70.2 | Confident | 20.3333 Ų | 20.3333 | 64.9 Ų | 64.9 | 14% | 0.142 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -39 | 178 | -69.5 | 0 | 0 | 0 | 0 | 113.1 | K2980 S3379 V3380 K3381 E3386 L3387 | K2980-S3383 VanDerWaalsContact CE-CA 3.45Å; K2980-S3383 VanDerWaalsContact CE-O 3.28Å; K2980-S3383 WeakPolarHBondContact CE-O 3.4Å; K2980-S3383 VanDerWaalsContact CE-OG 3.26Å; K2980-S3383 WeakPolarHBondContact CE-OG 3.38Å; K2980-S3383 PolarHBondContact NZ-OG 2.78Å; S3379-S3383 WeakPolarHBondContact O-CB 3.39Å; S3379-S3383 PolarHBondContact O-N 3.1Å; S3379-S3383 PolarHBondContact O-OG 3.14Å; V3380-S3383 WeakPolarHBondContact O-CB 3.5Å; V3380-S3383 PolarHBondContact O-N 3.39Å; K3381-S3383 VanDerWaalsContact C-N 3.31Å; K3381-S3383 PolarHBondContact O-N 3.1Å; S3383-E3386 PolarHBondContact O-N 3.3Å; S3383-L3387 VanDerWaalsContact O-CB 3.23Å; S3383-L3387 WeakPolarHBondContact O-CB 3.47Å; S3383-L3387 PolarHBondContact O-N 3.2Å |
| 3384 | Y | 73.2 | Confident | 70.1 | Confident | 34.3333 Ų | 34.3333 | 65.7 Ų | 65.7 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 173.8 | 174.2 | -99 | 0 | 0 | 0 | 112.3 | F3026 I3334 N3335 L3338 V3380 K3381 R3382 E3386 L3387 S3388 L3399 L3401 L3405 | F3026-Y3384 HydrophobicContact CZ-CD2 4.25Å; F3026-Y3384 HydrophobicContact CZ-CE2 4.32Å; I3334-Y3384 HydrophobicContact CB-CD2 4.43Å; I3334-Y3384 HydrophobicContact CG2-CD2 3.71Å; I3334-Y3384 HydrophobicContact CG2-CG 4.36Å; N3335-Y3384 PolarHBondContact ND2-OH 3.07Å; N3335-Y3384 VanDerWaalsContact ND2-OH 3.09Å; N3335-Y3384 VanDerWaalsContact OD1-CE2 3.3Å; N3335-Y3384 WeakPolarHBondContact OD1-CE2 3.5Å; N3335-Y3384 VanDerWaalsContact OD1-CZ 3.31Å; N3335-Y3384 PolarHBondContact OD1-OH 3.01Å; L3338-Y3384 HydrophobicContact CD1-CG 4.37Å; V3380-Y3384 WeakPolarHBondContact O-CB 3.37Å; V3380-Y3384 PolarHBondContact O-N 3.14Å; K3381-Y3384 PolarHBondContact O-N 3.07Å; R3382-Y3384 VanDerWaalsContact C-N 3.33Å; R3382-Y3384 PolarHBondContact O-N 3.02Å; Y3384-E3386 VanDerWaalsContact C-N 3.35Å; Y3384-E3386 PolarHBondContact O-N 3.38Å; Y3384-L3387 CarbonylContact O-C 3.38Å; Y3384-L3387 WeakPolarHBondContact O-CA 3.44Å; Y3384-L3387 WeakPolarHBondContact O-CB 3.35Å; Y3384-L3387 PolarHBondContact O-N 3.24Å; Y3384-S3388 VanDerWaalsContact O-CB 3.24Å; Y3384-S3388 WeakPolarHBondContact O-CB 3.29Å; Y3384-S3388 PolarHBondContact O-N 3.33Å; Y3384-L3399 HydrophobicContact CE2-CD2 4.45Å; Y3384-L3399 PolarHBondContact OH-O 3.31Å; Y3384-L3401 HydrophobicContact CE2-CB 3.91Å; Y3384-L3401 HydrophobicContact CE2-CD1 4.27Å; Y3384-L3401 HydrophobicContact CE2-CG 4.47Å; Y3384-L3401 WeakPolarHBondContact OH-CB 3.35Å; Y3384-L3401 PolarHBondContact OH-N 3.04Å; Y3384-L3405 HydrophobicContact CD1-CD1 3.45Å; Y3384-L3405 VanDerWaalsContact CD1-CD1 3.45Å; Y3384-L3405 HydrophobicContact CD1-CD2 3.74Å; Y3384-L3405 HydrophobicContact CD2-CD1 3.96Å; Y3384-L3405 HydrophobicContact CD2-CD2 4.33Å; Y3384-L3405 HydrophobicContact CE1-CD1 3.9Å; Y3384-L3405 HydrophobicContact CE2-CD1 4.34Å; Y3384-L3405 HydrophobicContact CG-CD1 3.66Å; Y3384-L3405 VanDerWaalsContact CG-CD1 3.44Å; Y3384-L3405 HydrophobicContact CG-CD2 3.91Å; Y3384-L3405 HydrophobicContact CG-CG 4.35Å |
| 3385 | N | 74.7 | Confident | 69.7 | Low | 90.3333 Ų | 90.3333 | 67.5 Ų | 67.5 | 48% | 0.483 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.6 | -71.2 | -15.9 | 0 | 0 | 0 | 111.8 | K3381 R3382 L3387 S3388 M3389 | K3381-N3385 WeakPolarHBondContact O-CB 3.3Å; K3381-N3385 PolarHBondContact O-N 3.17Å; K3381-N3385 VanDerWaalsContact O-N 3.09Å; K3381-N3385 PolarHBondContact O-ND2 3.08Å; K3381-N3385 PolarHBondContact O-OD1 3.23Å; R3382-N3385 PolarHBondContact O-N 3.31Å; N3385-L3387 VanDerWaalsContact C-N 3.31Å; N3385-L3387 PolarHBondContact O-N 3.35Å; N3385-S3388 PolarHBondContact O-N 3.05Å; N3385-M3389 WeakPolarHBondContact O-CG 3.43Å; N3385-M3389 PolarHBondContact O-N 2.9Å |
| 3386 | E | 74.3 | Confident | 69.3 | Low | 77.6667 Ų | 77.6667 | 66.7 Ų | 66.7 | 36% | 0.363 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 172.5 | -71.9 | 173.6 | -160 | 0 | 0 | 112.4 | K2980 R3382 S3383 Y3384 K3390 | K2980-E3386 VanDerWaalsContact NZ-CD 3.31Å; K2980-E3386 IonicContact NZ-OE1 3.95Å; K2980-E3386 PolarHBondContact NZ-OE1 2.85Å; K2980-E3386 IonicContact NZ-OE2 2.71Å; K2980-E3386 PolarHBondContact NZ-OE2 3.14Å; R3382-E3386 IonicContact NE-OE1 3.32Å; R3382-E3386 PolarHBondContact NE-OE1 3.2Å; R3382-E3386 WeakPolarHBondContact O-CG 3.33Å; R3382-E3386 PolarHBondContact O-N 2.99Å; S3383-E3386 PolarHBondContact O-N 3.3Å; Y3384-E3386 VanDerWaalsContact C-N 3.35Å; Y3384-E3386 PolarHBondContact O-N 3.38Å; E3386-K3390 WeakPolarHBondContact O-CB 3.43Å; E3386-K3390 WeakPolarHBondContact O-CG 3.31Å; E3386-K3390 PolarHBondContact O-N 3.31Å; E3386-K3390 VanDerWaalsContact O-N 3.14Å |
| 3387 | L | 72.1 | Confident | 68.6 | Low | 7.66667 Ų | 7.66667 | 69.3 Ų | 69.3 | 4% | 0.04 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.8 | -44.9 | 176.9 | 178.5 | 64.7 | 0 | 0 | 0 | 111.2 | W2979 K2980 L2983 L2984 E3331 I3334 S3383 Y3384 N3385 M3389 K3390 I3391 L3399 | W2979-L3387 HydrophobicContact CE3-CD2 4.46Å; W2979-L3387 HydrophobicContact CH2-CD2 3.82Å; W2979-L3387 HydrophobicContact CZ3-CD2 3.69Å; W2979-L3387 VanDerWaalsContact CZ3-CD2 3.41Å; K2980-L3387 HydrophobicContact CB-CD1 4.43Å; L2983-L3387 HydrophobicContact CB-CD2 4.42Å; L2983-L3387 HydrophobicContact CD2-CD2 3.85Å; L2983-L3387 HydrophobicContact CG-CD2 4.12Å; L2984-L3387 HydrophobicContact CB-CD1 3.84Å; L2984-L3387 HydrophobicContact CD1-CD1 3.99Å; L2984-L3387 HydrophobicContact CD2-CD1 3.72Å; L2984-L3387 HydrophobicContact CG-CD1 3.99Å; E3331-L3387 HydrophobicContact CG-CD2 4.48Å; I3334-L3387 HydrophobicContact CD1-CD2 3.59Å; S3383-L3387 VanDerWaalsContact O-CB 3.23Å; S3383-L3387 WeakPolarHBondContact O-CB 3.47Å; S3383-L3387 PolarHBondContact O-N 3.2Å; Y3384-L3387 CarbonylContact O-C 3.38Å; Y3384-L3387 WeakPolarHBondContact O-CA 3.44Å; Y3384-L3387 WeakPolarHBondContact O-CB 3.35Å; Y3384-L3387 PolarHBondContact O-N 3.24Å; N3385-L3387 VanDerWaalsContact C-N 3.31Å; N3385-L3387 PolarHBondContact O-N 3.35Å; L3387-M3389 PolarHBondContact O-N 2.99Å; L3387-K3390 CarbonylContact O-C 3.55Å; L3387-K3390 WeakPolarHBondContact O-CA 3.41Å; L3387-K3390 WeakPolarHBondContact O-CB 3.34Å; L3387-K3390 PolarHBondContact O-N 3.17Å; L3387-K3390 VanDerWaalsContact O-N 3.12Å; L3387-I3391 HydrophobicContact CD1-CD1 3.93Å; L3387-I3391 HydrophobicContact CD1-CG1 4.25Å; L3387-I3391 HydrophobicContact CD2-CD1 4.38Å; L3387-I3391 HydrophobicContact CG-CD1 3.76Å; L3387-I3391 HydrophobicContact CG-CG1 4.35Å; L3387-I3391 WeakPolarHBondContact O-CB 3.38Å; L3387-I3391 VanDerWaalsContact O-CG1 3.28Å; L3387-I3391 WeakPolarHBondContact O-CG1 3.3Å; L3387-I3391 PolarHBondContact O-N 3.03Å; L3387-L3399 HydrophobicContact CD2-CD2 4.33Å |
| 3388 | S | 71.2 | Confident | 68.1 | Low | 21.6667 Ų | 21.6667 | 71.8 Ų | 71.8 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 179.6 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | Y3384 N3385 K3390 I3391 Q3392 | Y3384-S3388 VanDerWaalsContact O-CB 3.24Å; Y3384-S3388 WeakPolarHBondContact O-CB 3.29Å; Y3384-S3388 PolarHBondContact O-N 3.33Å; N3385-S3388 PolarHBondContact O-N 3.05Å; S3388-K3390 VanDerWaalsContact C-N 3.33Å; S3388-K3390 PolarHBondContact O-N 3.25Å; S3388-I3391 PolarHBondContact O-N 3.35Å; S3388-Q3392 WeakPolarHBondContact O-CB 3.3Å; S3388-Q3392 VanDerWaalsContact O-CG 3.26Å; S3388-Q3392 WeakPolarHBondContact O-CG 3.3Å; S3388-Q3392 PolarHBondContact O-N 3.07Å |
| 3389 | M | 72.2 | Confident | 67.8 | Low | 139.667 Ų | 139.667 | 69.4 Ų | 69.4 | 69% | 0.688 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.2 | -39.5 | 173.5 | -72.4 | -162.1 | -180 | 0 | 0 | 112.6 | N3385 L3387 Q3392 S3393 | N3385-M3389 WeakPolarHBondContact O-CG 3.43Å; N3385-M3389 PolarHBondContact O-N 2.9Å; L3387-M3389 PolarHBondContact O-N 2.99Å; M3389-Q3392 PolarHBondContact O-N 2.96Å; M3389-S3393 PolarHBondContact O-N 3.16Å; M3389-S3393 VanDerWaalsContact O-N 3.15Å |
| 3390 | K | 71 | Confident | 67.7 | Low | 96 Ų | 96 | 74.4 Ų | 74.4 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 175.7 | -73.8 | 173.6 | -179.1 | 176.2 | 0 | 111.7 | L2984 E3386 L3387 S3388 Q3392 S3393 L3394 | L2984-K3390 HydrophobicContact CD1-CB 4.25Å; L2984-K3390 HydrophobicContact CD1-CD 3.75Å; L2984-K3390 HydrophobicContact CD2-CB 4.05Å; L2984-K3390 HydrophobicContact CD2-CD 4Å; E3386-K3390 WeakPolarHBondContact O-CB 3.43Å; E3386-K3390 WeakPolarHBondContact O-CG 3.31Å; E3386-K3390 PolarHBondContact O-N 3.31Å; E3386-K3390 VanDerWaalsContact O-N 3.14Å; L3387-K3390 CarbonylContact O-C 3.55Å; L3387-K3390 WeakPolarHBondContact O-CA 3.41Å; L3387-K3390 WeakPolarHBondContact O-CB 3.34Å; L3387-K3390 PolarHBondContact O-N 3.17Å; L3387-K3390 VanDerWaalsContact O-N 3.12Å; S3388-K3390 VanDerWaalsContact C-N 3.33Å; S3388-K3390 PolarHBondContact O-N 3.25Å; K3390-Q3392 VanDerWaalsContact C-N 3.33Å; K3390-Q3392 PolarHBondContact O-N 2.67Å; K3390-S3393 WeakPolarHBondContact O-CB 3.4Å; K3390-S3393 PolarHBondContact O-N 2.98Å; K3390-S3393 VanDerWaalsContact O-N 3.08Å; K3390-S3393 PolarHBondContact O-OG 2.91Å; K3390-L3394 WeakPolarHBondContact O-CD1 3.31Å; K3390-L3394 PolarHBondContact O-N 3.5Å |
| 3391 | I | 69.5 | Low | 68.3 | Low | 16 Ų | 16 | 73.8 Ų | 73.8 | 8% | 0.082 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 178.2 | -67.5 | 170.4 | 0 | 0 | 0 | 111.2 | L2984 I2987 E3331 L3387 S3388 S3393 L3394 C3396 L3399 | L2984-I3391 HydrophobicContact CD1-CG1 4.1Å; L2984-I3391 HydrophobicContact CD2-CG1 3.97Å; I2987-I3391 HydrophobicContact CD1-CD1 3.68Å; I2987-I3391 HydrophobicContact CD1-CG1 4.2Å; I2987-I3391 HydrophobicContact CG2-CD1 4.39Å; I2987-I3391 HydrophobicContact CG2-CG1 4.19Å; I2987-I3391 HydrophobicContact CG2-CG2 4.43Å; E3331-I3391 VanDerWaalsContact CD-CD1 3.44Å; E3331-I3391 HydrophobicContact CG-CD1 4.14Å; E3331-I3391 WeakPolarHBondContact OE1-CD1 3.41Å; L3387-I3391 HydrophobicContact CD1-CD1 3.93Å; L3387-I3391 HydrophobicContact CD1-CG1 4.25Å; L3387-I3391 HydrophobicContact CD2-CD1 4.38Å; L3387-I3391 HydrophobicContact CG-CD1 3.76Å; L3387-I3391 HydrophobicContact CG-CG1 4.35Å; L3387-I3391 WeakPolarHBondContact O-CB 3.38Å; L3387-I3391 VanDerWaalsContact O-CG1 3.28Å; L3387-I3391 WeakPolarHBondContact O-CG1 3.3Å; L3387-I3391 PolarHBondContact O-N 3.03Å; S3388-I3391 PolarHBondContact O-N 3.35Å; I3391-S3393 PolarHBondContact O-N 3.04Å; I3391-L3394 WeakPolarHBondContact O-CA 3.22Å; I3391-L3394 WeakPolarHBondContact O-CB 3.36Å; I3391-L3394 PolarHBondContact O-N 3.3Å; I3391-C3396 HydrophobicContact CG2-CB 3.88Å; I3391-L3399 HydrophobicContact CD1-CB 3.77Å; I3391-L3399 HydrophobicContact CD1-CD2 4.07Å; I3391-L3399 HydrophobicContact CD1-CG 4.43Å; I3391-L3399 HydrophobicContact CG2-CB 4.42Å; I3391-L3399 HydrophobicContact CG2-CD2 4.34Å |
| 3392 | Q | 67.8 | Low | 69 | Low | 122.667 Ų | 122.667 | 72.5 Ų | 72.5 | 57% | 0.573 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.2 | -31.3 | 175.2 | -74.2 | 172.1 | 7 | 0 | 0 | 112.8 | S3388 M3389 K3390 L3394 S3395 N3398 | S3388-Q3392 WeakPolarHBondContact O-CB 3.3Å; S3388-Q3392 VanDerWaalsContact O-CG 3.26Å; S3388-Q3392 WeakPolarHBondContact O-CG 3.3Å; S3388-Q3392 PolarHBondContact O-N 3.07Å; M3389-Q3392 PolarHBondContact O-N 2.96Å; K3390-Q3392 VanDerWaalsContact C-N 3.33Å; K3390-Q3392 PolarHBondContact O-N 2.67Å; Q3392-L3394 PolarHBondContact O-N 3.03Å; Q3392-S3395 PolarHBondContact O-N 3.42Å; Q3392-N3398 WeakPolarHBondContact CG-OD1 3.5Å |
| 3393 | S | 66 | Low | 69.8 | Low | 94.6667 Ų | 94.6667 | 65.6 Ų | 65.6 | 66% | 0.662 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -12.5 | 177.8 | 77.1 | 0 | 0 | 0 | 0 | 114.8 | M3389 K3390 I3391 S3395 | M3389-S3393 PolarHBondContact O-N 3.16Å; M3389-S3393 VanDerWaalsContact O-N 3.15Å; K3390-S3393 WeakPolarHBondContact O-CB 3.4Å; K3390-S3393 PolarHBondContact O-N 2.98Å; K3390-S3393 VanDerWaalsContact O-N 3.08Å; K3390-S3393 PolarHBondContact O-OG 2.91Å; I3391-S3393 PolarHBondContact O-N 3.04Å; S3393-S3395 PolarHBondContact O-N 2.89Å |
| 3394 | L | 59.3 | Low | 70.8 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 28% | 0.283 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 38.8 | -171.4 | -74.9 | 160.9 | 0 | 0 | 0 | 114.1 | L2984 K2988 K3390 I3391 Q3392 C3396 L3399 | L2984-L3394 HydrophobicContact CD1-CD1 4.05Å; L2984-L3394 HydrophobicContact CD2-CD1 3.76Å; K2988-L3394 HydrophobicContact CD-CD2 4.39Å; K2988-L3394 HydrophobicContact CG-CD1 4.05Å; K2988-L3394 HydrophobicContact CG-CD2 3.62Å; K3390-L3394 WeakPolarHBondContact O-CD1 3.31Å; K3390-L3394 PolarHBondContact O-N 3.5Å; I3391-L3394 WeakPolarHBondContact O-CA 3.22Å; I3391-L3394 WeakPolarHBondContact O-CB 3.36Å; I3391-L3394 PolarHBondContact O-N 3.3Å; Q3392-L3394 PolarHBondContact O-N 3.03Å; L3394-C3396 HydrophobicContact CB-CB 4.47Å; L3394-C3396 PolarHBondContact O-N 2.95Å; L3394-C3396 VanDerWaalsContact O-N 3.12Å; L3394-C3396 PolarHBondContact O-SG 3.42Å; L3394-L3399 HydrophobicContact CD1-CD1 4.37Å; L3394-L3399 HydrophobicContact CD1-CD2 3.57Å; L3394-L3399 HydrophobicContact CD1-CG 3.74Å |
| 3395 | S | 54.1 | Low | 71.7 | Confident | 116 Ų | 116 | 63.6 Ų | 63.6 | 81% | 0.811 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.2 | 39.3 | 178.9 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | Q3392 S3393 T3397 | Q3392-S3395 PolarHBondContact O-N 3.42Å; S3393-S3395 PolarHBondContact O-N 2.89Å; S3395-T3397 VanDerWaalsContact C-N 3.34Å; S3395-T3397 PolarHBondContact O-N 3.26Å |
| 3396 | C | 54.6 | Low | 72.3 | Confident | 46.6667 Ų | 46.6667 | 61.4 Ų | 61.4 | 32% | 0.315 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 126.7 | 175.1 | -66.3 | 0 | 0 | 0 | 0 | 114.2 | Y3034 I3391 L3394 N3398 L3399 | Y3034-C3396 HydrophobicContact CE2-CB 4.33Å; Y3034-C3396 VanDerWaalsContact CZ-SG 3.56Å; Y3034-C3396 WeakPolarHBondContact OH-CB 3.35Å; Y3034-C3396 PolarHBondContact OH-SG 3.28Å; I3391-C3396 HydrophobicContact CG2-CB 3.88Å; L3394-C3396 HydrophobicContact CB-CB 4.47Å; L3394-C3396 PolarHBondContact O-N 2.95Å; L3394-C3396 VanDerWaalsContact O-N 3.12Å; L3394-C3396 PolarHBondContact O-SG 3.42Å; C3396-N3398 PolarHBondContact O-N 2.96Å; C3396-L3399 PolarHBondContact O-N 3.45Å |
| 3397 | T | 53.3 | Low | 73.1 | Confident | 90.3333 Ų | 90.3333 | 57.7 Ų | 57.7 | 55% | 0.554 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -34.8 | 98.9 | 172.8 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | Y3034 H3037 Y3316 S3395 L3399 | Y3034-T3397 WeakPolarHBondContact CE2-O 3.41Å; H3037-T3397 PolarHBondContact NE2-OG1 2.89Å; Y3316-T3397 WeakPolarHBondContact OH-CB 3.34Å; Y3316-T3397 PolarHBondContact OH-OG1 3.22Å; S3395-T3397 VanDerWaalsContact C-N 3.34Å; S3395-T3397 PolarHBondContact O-N 3.26Å; T3397-L3399 PolarHBondContact O-N 2.9Å |
| 3398 | N | 59.7 | Low | 74 | Confident | 93 Ų | 93 | 57.4 Ų | 57.4 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 63.7 | -177.8 | -63.2 | -27.2 | 0 | 0 | 0 | 114.3 | Y3316 Q3392 C3396 R3400 | Y3316-N3398 HydrophobicContact CE1-CB 4.03Å; Y3316-N3398 PolarHBondContact OH-O 2.7Å; Q3392-N3398 WeakPolarHBondContact CG-OD1 3.5Å; C3396-N3398 PolarHBondContact O-N 2.96Å; N3398-R3400 PolarHBondContact O-N 3.39Å |
| 3399 | L | 65.9 | Low | 74.8 | Confident | 28.3333 Ų | 28.3333 | 56.4 Ų | 56.4 | 15% | 0.148 | 31% | 0.309 | C | S | . | . | trans | -67.9 | 111.7 | 171 | -151.8 | 83 | 0 | 0 | 0 | 110.8 | L2983 I2987 I3033 Y3034 Y3316 Y3384 L3387 I3391 L3394 C3396 T3397 L3401 | L2983-L3399 HydrophobicContact CD2-CD2 4.36Å; I2987-L3399 HydrophobicContact CD1-CD1 4.31Å; I2987-L3399 HydrophobicContact CD1-CD2 4.02Å; I2987-L3399 HydrophobicContact CD1-CG 4.44Å; I3033-L3399 HydrophobicContact CG2-CD1 3.94Å; Y3034-L3399 HydrophobicContact CD2-CD1 4Å; Y3034-L3399 HydrophobicContact CD2-CD2 4.36Å; Y3034-L3399 HydrophobicContact CG-CD1 4.15Å; Y3034-L3399 HydrophobicContact CG-CD2 4.33Å; Y3316-L3399 HydrophobicContact CD2-CD1 4.06Å; Y3316-L3399 HydrophobicContact CE2-CB 3.88Å; Y3316-L3399 HydrophobicContact CE2-CD1 3.58Å; Y3316-L3399 HydrophobicContact CE2-CG 4.33Å; Y3384-L3399 HydrophobicContact CE2-CD2 4.45Å; Y3384-L3399 PolarHBondContact OH-O 3.31Å; L3387-L3399 HydrophobicContact CD2-CD2 4.33Å; I3391-L3399 HydrophobicContact CD1-CB 3.77Å; I3391-L3399 HydrophobicContact CD1-CD2 4.07Å; I3391-L3399 HydrophobicContact CD1-CG 4.43Å; I3391-L3399 HydrophobicContact CG2-CB 4.42Å; I3391-L3399 HydrophobicContact CG2-CD2 4.34Å; L3394-L3399 HydrophobicContact CD1-CD1 4.37Å; L3394-L3399 HydrophobicContact CD1-CD2 3.57Å; L3394-L3399 HydrophobicContact CD1-CG 3.74Å; C3396-L3399 PolarHBondContact O-N 3.45Å; T3397-L3399 PolarHBondContact O-N 2.9Å; L3399-L3401 HydrophobicContact CD1-CD1 4.24Å; L3399-L3401 HydrophobicContact CD1-CD2 3.96Å; L3399-L3401 HydrophobicContact CD1-CG 4.11Å; L3399-L3401 HydrophobicContact CD2-CD1 3.98Å; L3399-L3401 HydrophobicContact CD2-CG 4.43Å; L3399-L3401 HydrophobicContact CG-CD1 4.03Å; L3399-L3401 HydrophobicContact CG-CG 4.04Å | ||
| 3400 | R | 68.4 | Low | 75.5 | Confident | 143.333 Ų | 143.333 | 50.4 Ų | 50.4 | 54% | 0.541 | 28% | 0.278 | S | S | . | . | trans | -105.7 | 113.7 | 169.7 | -72.9 | -179.3 | 177.3 | -177.4 | 0.7 | 108.8 | N3315 Y3316 N3398 | N3315-R3400 PolarHBondContact O-NH1 3.22Å; Y3316-R3400 HydrophobicContact CD2-CB 4.34Å; Y3316-R3400 HydrophobicContact CE2-CB 4.5Å; Y3316-R3400 PolarHBondContact O-NH1 2.95Å; N3398-R3400 PolarHBondContact O-N 3.39Å | ||
| 3401 | L | 86.6 | Confident | 76.2 | Confident | 1.5 Ų | 1.5 | 45.8 Ų | 45.8 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | trans | -124.1 | 63.2 | 178.6 | -63.3 | 170.8 | 0 | 0 | 0 | 110.1 | F3026 A3030 I3033 D3312 Y3384 L3399 C3404 L3405 | F3026-L3401 HydrophobicContact CE2-CB 4.48Å; F3026-L3401 HydrophobicContact CE2-CD1 4.11Å; F3026-L3401 HydrophobicContact CZ-CB 4.39Å; F3026-L3401 HydrophobicContact CZ-CD1 3.91Å; A3030-L3401 HydrophobicContact CB-CD1 3.59Å; A3030-L3401 HydrophobicContact CB-CD2 4.34Å; I3033-L3401 HydrophobicContact CD1-CD2 3.38Å; I3033-L3401 VanDerWaalsContact CD1-CD2 3.41Å; D3312-L3401 HydrophobicContact CB-CD2 4.42Å; D3312-L3401 VanDerWaalsContact OD2-CA 3.29Å; D3312-L3401 WeakPolarHBondContact OD2-CA 3.43Å; Y3384-L3401 HydrophobicContact CE2-CB 3.91Å; Y3384-L3401 HydrophobicContact CE2-CD1 4.27Å; Y3384-L3401 HydrophobicContact CE2-CG 4.47Å; Y3384-L3401 WeakPolarHBondContact OH-CB 3.35Å; Y3384-L3401 PolarHBondContact OH-N 3.04Å; L3399-L3401 HydrophobicContact CD1-CD1 4.24Å; L3399-L3401 HydrophobicContact CD1-CD2 3.96Å; L3399-L3401 HydrophobicContact CD1-CG 4.11Å; L3399-L3401 HydrophobicContact CD2-CD1 3.98Å; L3399-L3401 HydrophobicContact CD2-CG 4.43Å; L3399-L3401 HydrophobicContact CG-CD1 4.03Å; L3399-L3401 HydrophobicContact CG-CG 4.04Å; L3401-C3404 HydrophobicContact CB-CB 4.33Å; L3401-C3404 HydrophobicContact CD2-CB 4.14Å; L3401-C3404 PolarHBondContact O-N 2.95Å; L3401-L3405 HydrophobicContact CB-CG 4.47Å; L3401-L3405 VanDerWaalsContact O-CB 3.28Å; L3401-L3405 WeakPolarHBondContact O-CB 3.39Å; L3401-L3405 WeakPolarHBondContact O-CD1 3.47Å; L3401-L3405 VanDerWaalsContact O-CG 3.23Å; L3401-L3405 WeakPolarHBondContact O-CG 3.2Å; L3401-L3405 PolarHBondContact O-N 2.88Å | ||
| 3402 | S | 88.3 | Confident | 76.9 | Confident | 68.5 Ų | 68.5 | 46.2 Ų | 46.2 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -77.1 | -50.3 | 179.7 | 117.7 | 0 | 0 | 0 | 0 | 110.6 | D3312 C3404 L3405 D3406 | D3312-S3402 VanDerWaalsContact CG-N 3.35Å; D3312-S3402 PolarHBondContact OD1-N 2.94Å; D3312-S3402 PolarHBondContact OD1-OG 3.15Å; D3312-S3402 PolarHBondContact OD2-N 2.7Å; S3402-C3404 PolarHBondContact O-N 2.79Å; S3402-L3405 WeakPolarHBondContact O-CB 3.42Å; S3402-L3405 PolarHBondContact O-N 3.1Å; S3402-D3406 PolarHBondContact O-N 3.41Å; S3402-D3406 VanDerWaalsContact O-N 3.15Å |
| 3403 | S | 92 | Very high | 77.3 | Confident | 14.5 Ų | 14.5 | 40.8 Ų | 40.8 | 10% | 0.101 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70 | -37.6 | -176.1 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | L3311 D3312 L3405 D3406 A3407 | L3311-S3403 WeakPolarHBondContact CD2-OG 3.29Å; L3311-S3403 VanDerWaalsContact CG-OG 3.23Å; L3311-S3403 WeakPolarHBondContact CG-OG 3.27Å; D3312-S3403 WeakPolarHBondContact OD1-CB 3.35Å; D3312-S3403 PolarHBondContact OD1-N 3.3Å; D3312-S3403 PolarHBondContact OD1-OG 3.36Å; D3312-S3403 PolarHBondContact OD2-N 2.95Å; S3403-L3405 VanDerWaalsContact C-N 3.28Å; S3403-L3405 PolarHBondContact O-N 3.39Å; S3403-D3406 PolarHBondContact O-N 3.33Å; S3403-A3407 VanDerWaalsContact O-CB 3.23Å; S3403-A3407 WeakPolarHBondContact O-CB 3.44Å; S3403-A3407 PolarHBondContact O-N 3.07Å |
| 3404 | C | 93.1 | Very high | 77.5 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -32.9 | 175.3 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | F3026 A3308 D3312 L3401 S3402 L3408 | F3026-C3404 HydrophobicContact CD2-CB 3.87Å; F3026-C3404 WeakPolarHBondContact CD2-O 3.37Å; F3026-C3404 HydrophobicContact CE2-CB 3.74Å; A3308-C3404 HydrophobicContact CB-CB 4.4Å; D3312-C3404 WeakPolarHBondContact OD2-CB 3.23Å; D3312-C3404 PolarHBondContact OD2-N 3.19Å; D3312-C3404 PolarHBondContact OD2-SG 3.2Å; L3401-C3404 HydrophobicContact CB-CB 4.33Å; L3401-C3404 HydrophobicContact CD2-CB 4.14Å; L3401-C3404 PolarHBondContact O-N 2.95Å; S3402-C3404 PolarHBondContact O-N 2.79Å; C3404-L3408 VanDerWaalsContact O-CB 3.3Å; C3404-L3408 WeakPolarHBondContact O-CB 3.33Å; C3404-L3408 PolarHBondContact O-N 3.39Å |
| 3405 | L | 91.3 | Very high | 77.3 | Confident | 9.5 Ų | 9.5 | 38.7 Ų | 38.7 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.5 | -46.1 | 176 | -119.5 | 122.1 | 0 | 0 | 0 | 111.5 | F3026 V3380 K3381 Y3384 L3401 S3402 S3403 A3407 L3408 V3409 | F3026-L3405 HydrophobicContact CE2-CB 4.49Å; F3026-L3405 HydrophobicContact CE2-CD2 3.58Å; F3026-L3405 HydrophobicContact CE2-CG 4.13Å; F3026-L3405 HydrophobicContact CZ-CD2 3.56Å; F3026-L3405 HydrophobicContact CZ-CG 4.43Å; V3380-L3405 HydrophobicContact CG1-CB 4.43Å; V3380-L3405 HydrophobicContact CG1-CD1 3.4Å; V3380-L3405 VanDerWaalsContact CG1-CD1 3.4Å; V3380-L3405 HydrophobicContact CG1-CD2 3.8Å; V3380-L3405 HydrophobicContact CG1-CG 4.15Å; K3381-L3405 HydrophobicContact CG-CD2 4.09Å; Y3384-L3405 HydrophobicContact CD1-CD1 3.45Å; Y3384-L3405 VanDerWaalsContact CD1-CD1 3.45Å; Y3384-L3405 HydrophobicContact CD1-CD2 3.74Å; Y3384-L3405 HydrophobicContact CD2-CD1 3.96Å; Y3384-L3405 HydrophobicContact CD2-CD2 4.33Å; Y3384-L3405 HydrophobicContact CE1-CD1 3.9Å; Y3384-L3405 HydrophobicContact CE2-CD1 4.34Å; Y3384-L3405 HydrophobicContact CG-CD1 3.66Å; Y3384-L3405 VanDerWaalsContact CG-CD1 3.44Å; Y3384-L3405 HydrophobicContact CG-CD2 3.91Å; Y3384-L3405 HydrophobicContact CG-CG 4.35Å; L3401-L3405 HydrophobicContact CB-CG 4.47Å; L3401-L3405 VanDerWaalsContact O-CB 3.28Å; L3401-L3405 WeakPolarHBondContact O-CB 3.39Å; L3401-L3405 WeakPolarHBondContact O-CD1 3.47Å; L3401-L3405 VanDerWaalsContact O-CG 3.23Å; L3401-L3405 WeakPolarHBondContact O-CG 3.2Å; L3401-L3405 PolarHBondContact O-N 2.88Å; S3402-L3405 WeakPolarHBondContact O-CB 3.42Å; S3402-L3405 PolarHBondContact O-N 3.1Å; S3403-L3405 VanDerWaalsContact C-N 3.28Å; S3403-L3405 PolarHBondContact O-N 3.39Å; L3405-A3407 VanDerWaalsContact C-N 3.31Å; L3405-A3407 PolarHBondContact O-N 3.14Å; L3405-L3408 WeakPolarHBondContact O-CB 3.27Å; L3405-L3408 PolarHBondContact O-N 3.27Å; L3405-L3408 VanDerWaalsContact O-N 3.17Å; L3405-V3409 WeakPolarHBondContact O-CG2 3.41Å; L3405-V3409 PolarHBondContact O-N 3.09Å |
| 3406 | D | 88.6 | Confident | 76.9 | Confident | 45 Ų | 45 | 35 Ų | 35 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 176.2 | -71.1 | -29.1 | 0 | 0 | 0 | 110.8 | S3402 S3403 L3408 V3409 Y3410 | S3402-D3406 PolarHBondContact O-N 3.41Å; S3402-D3406 VanDerWaalsContact O-N 3.15Å; S3403-D3406 PolarHBondContact O-N 3.33Å; D3406-L3408 VanDerWaalsContact C-N 3.35Å; D3406-L3408 PolarHBondContact O-N 3.11Å; D3406-V3409 WeakPolarHBondContact O-CB 3.29Å; D3406-V3409 PolarHBondContact O-N 3.3Å; D3406-V3409 VanDerWaalsContact O-N 3.15Å; D3406-Y3410 HydrophobicContact CB-CE2 4.28Å; D3406-Y3410 VanDerWaalsContact O-CD2 3.25Å; D3406-Y3410 WeakPolarHBondContact O-CD2 3.27Å; D3406-Y3410 VanDerWaalsContact O-CG 3.25Å; D3406-Y3410 PolarHBondContact O-N 2.98Å |
| 3407 | A | 91.1 | Very high | 76.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -36.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A3304 Q3305 A3308 S3403 L3405 A3411 I3471 | A3304-A3407 HydrophobicContact CB-CB 4.15Å; Q3305-A3407 HydrophobicContact CB-CB 4.31Å; Q3305-A3407 HydrophobicContact CG-CB 3.67Å; A3308-A3407 HydrophobicContact CB-CB 4.19Å; S3403-A3407 VanDerWaalsContact O-CB 3.23Å; S3403-A3407 WeakPolarHBondContact O-CB 3.44Å; S3403-A3407 PolarHBondContact O-N 3.07Å; L3405-A3407 VanDerWaalsContact C-N 3.31Å; L3405-A3407 PolarHBondContact O-N 3.14Å; A3407-A3411 WeakPolarHBondContact O-CB 3.27Å; A3407-A3411 PolarHBondContact O-N 3.05Å; A3407-A3411 VanDerWaalsContact O-N 3.13Å; A3407-I3471 HydrophobicContact CB-CD1 3.85Å |
| 3408 | L | 91 | Very high | 75.5 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 171.8 | 174.7 | 61.2 | 0 | 0 | 0 | 111.3 | P3022 E3023 F3026 V3380 C3404 L3405 D3406 A3411 L3412 | P3022-L3408 HydrophobicContact CB-CD1 3.95Å; P3022-L3408 HydrophobicContact CG-CD1 4.42Å; E3023-L3408 HydrophobicContact CG-CD1 4.26Å; F3026-L3408 HydrophobicContact CB-CB 4.45Å; F3026-L3408 HydrophobicContact CB-CD1 4.29Å; F3026-L3408 HydrophobicContact CB-CD2 4.16Å; F3026-L3408 HydrophobicContact CD1-CD2 4.24Å; F3026-L3408 HydrophobicContact CD2-CB 4.07Å; F3026-L3408 HydrophobicContact CD2-CD2 3.99Å; F3026-L3408 HydrophobicContact CE2-CD2 4.5Å; F3026-L3408 HydrophobicContact CG-CB 4.45Å; F3026-L3408 HydrophobicContact CG-CD2 3.85Å; V3380-L3408 HydrophobicContact CG1-CD2 4.26Å; C3404-L3408 VanDerWaalsContact O-CB 3.3Å; C3404-L3408 WeakPolarHBondContact O-CB 3.33Å; C3404-L3408 PolarHBondContact O-N 3.39Å; L3405-L3408 WeakPolarHBondContact O-CB 3.27Å; L3405-L3408 PolarHBondContact O-N 3.27Å; L3405-L3408 VanDerWaalsContact O-N 3.17Å; D3406-L3408 VanDerWaalsContact C-N 3.35Å; D3406-L3408 PolarHBondContact O-N 3.11Å; L3408-A3411 PolarHBondContact O-N 3.13Å; L3408-A3411 VanDerWaalsContact O-N 3.16Å; L3408-L3412 HydrophobicContact CD1-CD1 4.13Å; L3408-L3412 HydrophobicContact CD1-CG 4.15Å; L3408-L3412 HydrophobicContact CG-CD1 4.09Å; L3408-L3412 HydrophobicContact CG-CG 4.45Å; L3408-L3412 WeakPolarHBondContact O-CG 3.3Å; L3408-L3412 PolarHBondContact O-N 2.9Å |
| 3409 | V | 87.9 | Confident | 74.1 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | Y3373 I3376 Q3377 V3380 L3405 D3406 A3411 L3412 M3413 | Y3373-V3409 HydrophobicContact CD2-CG1 4.13Å; Y3373-V3409 HydrophobicContact CE2-CG1 3.68Å; I3376-V3409 HydrophobicContact CG2-CG1 4.28Å; Q3377-V3409 HydrophobicContact CB-CG1 4.13Å; Q3377-V3409 HydrophobicContact CB-CG2 4.27Å; Q3377-V3409 HydrophobicContact CG-CG1 4.19Å; Q3377-V3409 HydrophobicContact CG-CG2 3.97Å; V3380-V3409 HydrophobicContact CB-CG2 3.98Å; V3380-V3409 HydrophobicContact CG1-CG2 3.85Å; V3380-V3409 HydrophobicContact CG2-CG2 4.08Å; L3405-V3409 WeakPolarHBondContact O-CG2 3.41Å; L3405-V3409 PolarHBondContact O-N 3.09Å; D3406-V3409 WeakPolarHBondContact O-CB 3.29Å; D3406-V3409 PolarHBondContact O-N 3.3Å; D3406-V3409 VanDerWaalsContact O-N 3.15Å; V3409-A3411 PolarHBondContact O-N 3.23Å; V3409-L3412 PolarHBondContact O-N 3.33Å; V3409-L3412 VanDerWaalsContact O-N 3.11Å; V3409-M3413 HydrophobicContact CG1-CE 3.2Å; V3409-M3413 HydrophobicContact CG1-CG 4.42Å; V3409-M3413 HydrophobicContact CG1-SD 4.07Å; V3409-M3413 WeakPolarHBondContact O-CG 3.32Å; V3409-M3413 PolarHBondContact O-N 3.25Å; V3409-M3413 VanDerWaalsContact O-N 3.15Å |
| 3410 | Y | 86.6 | Confident | 72.3 | Confident | 12.5 Ų | 12.5 | 41 Ų | 41 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.6 | -38.3 | 174.3 | -54.6 | -35.1 | 0 | 0 | 0 | 112.1 | A3304 Y3373 D3406 M3413 T3414 L3463 S3467 I3471 | A3304-Y3410 HydrophobicContact CB-CD2 4.42Å; Y3373-Y3410 HydrophobicContact CE2-CD1 4.49Å; Y3373-Y3410 HydrophobicContact CE2-CE1 4.38Å; D3406-Y3410 HydrophobicContact CB-CE2 4.28Å; D3406-Y3410 VanDerWaalsContact O-CD2 3.25Å; D3406-Y3410 WeakPolarHBondContact O-CD2 3.27Å; D3406-Y3410 VanDerWaalsContact O-CG 3.25Å; D3406-Y3410 PolarHBondContact O-N 2.98Å; Y3410-M3413 PolarHBondContact O-N 3.33Å; Y3410-T3414 PolarHBondContact O-N 3.26Å; Y3410-L3463 HydrophobicContact CD1-CD2 4.41Å; Y3410-L3463 HydrophobicContact CD1-CG 4.21Å; Y3410-L3463 HydrophobicContact CE1-CD1 4.06Å; Y3410-L3463 HydrophobicContact CE1-CD2 3.66Å; Y3410-L3463 HydrophobicContact CE1-CG 3.6Å; Y3410-S3467 VanDerWaalsContact CD2-CB 3.46Å; Y3410-I3471 HydrophobicContact CE2-CD1 4.36Å |
| 3411 | A | 85.8 | Confident | 70.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.9 | -24.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P3022 V3301 A3407 L3408 V3409 M3413 T3414 | P3022-A3411 HydrophobicContact CB-CB 3.42Å; P3022-A3411 VanDerWaalsContact CB-CB 3.44Å; P3022-A3411 HydrophobicContact CG-CB 4.16Å; V3301-A3411 VanDerWaalsContact CG1-CA 3.41Å; V3301-A3411 HydrophobicContact CG1-CB 3.36Å; V3301-A3411 VanDerWaalsContact CG1-CB 3.43Å; A3407-A3411 WeakPolarHBondContact O-CB 3.27Å; A3407-A3411 PolarHBondContact O-N 3.05Å; A3407-A3411 VanDerWaalsContact O-N 3.13Å; L3408-A3411 PolarHBondContact O-N 3.13Å; L3408-A3411 VanDerWaalsContact O-N 3.16Å; V3409-A3411 PolarHBondContact O-N 3.23Å; A3411-M3413 VanDerWaalsContact C-N 3.33Å; A3411-T3414 PolarHBondContact O-OG1 2.8Å |
| 3412 | L | 83.5 | Confident | 67.7 | Low | 24.5 Ų | 24.5 | 45.7 Ų | 45.7 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -79.8 | -30.8 | 172.5 | -68.2 | 171.7 | 0 | 0 | 0 | 111 | P3022 I3376 V3380 L3408 V3409 N3415 S3416 | P3022-L3412 HydrophobicContact CG-CD2 4.03Å; I3376-L3412 HydrophobicContact CG2-CB 4.02Å; I3376-L3412 HydrophobicContact CG2-CD1 4.13Å; V3380-L3412 HydrophobicContact CG2-CD1 3.82Å; L3408-L3412 HydrophobicContact CD1-CD1 4.13Å; L3408-L3412 HydrophobicContact CD1-CG 4.15Å; L3408-L3412 HydrophobicContact CG-CD1 4.09Å; L3408-L3412 HydrophobicContact CG-CG 4.45Å; L3408-L3412 WeakPolarHBondContact O-CG 3.3Å; L3408-L3412 PolarHBondContact O-N 2.9Å; V3409-L3412 PolarHBondContact O-N 3.33Å; V3409-L3412 VanDerWaalsContact O-N 3.11Å; L3412-N3415 PolarHBondContact O-N 3.22Å; L3412-S3416 PolarHBondContact O-N 3.18Å; L3412-S3416 PolarHBondContact O-OG 3.46Å |
| 3413 | M | 75.7 | Confident | 64.7 | Low | 9 Ų | 9 | 47.7 Ų | 47.7 | 4% | 0.044 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 177.8 | -70.5 | -125.6 | -121.2 | 0 | 0 | 113.4 | Y3373 I3376 V3409 Y3410 A3411 N3415 S3416 V3460 I3464 | Y3373-M3413 HydrophobicContact CD2-CE 3.69Å; Y3373-M3413 HydrophobicContact CD2-CG 4.06Å; Y3373-M3413 HydrophobicContact CD2-SD 3.85Å; Y3373-M3413 WeakPolarHBondContact CD2-SD 3.24Å; Y3373-M3413 HydrophobicContact CE2-CE 3.31Å; Y3373-M3413 HydrophobicContact CE2-SD 3.71Å; Y3373-M3413 HydrophobicContact CG-CE 3.68Å; Y3373-M3413 HydrophobicContact CG-SD 4.45Å; I3376-M3413 HydrophobicContact CB-CE 4.49Å; I3376-M3413 HydrophobicContact CB-SD 4.33Å; I3376-M3413 HydrophobicContact CD1-CG 4.36Å; I3376-M3413 HydrophobicContact CD1-SD 3.64Å; I3376-M3413 HydrophobicContact CG1-SD 4.49Å; I3376-M3413 HydrophobicContact CG2-CE 4.47Å; V3409-M3413 HydrophobicContact CG1-CE 3.2Å; V3409-M3413 HydrophobicContact CG1-CG 4.42Å; V3409-M3413 HydrophobicContact CG1-SD 4.07Å; V3409-M3413 WeakPolarHBondContact O-CG 3.32Å; V3409-M3413 PolarHBondContact O-N 3.25Å; V3409-M3413 VanDerWaalsContact O-N 3.15Å; Y3410-M3413 PolarHBondContact O-N 3.33Å; A3411-M3413 VanDerWaalsContact C-N 3.33Å; M3413-N3415 VanDerWaalsContact C-N 3.26Å; M3413-N3415 PolarHBondContact O-N 3.07Å; M3413-N3415 VanDerWaalsContact O-N 3.11Å; M3413-S3416 VanDerWaalsContact O-CB 3.3Å; M3413-S3416 WeakPolarHBondContact O-CB 3.33Å; M3413-S3416 PolarHBondContact O-N 3.18Å; M3413-S3416 PolarHBondContact O-OG 3.48Å; M3413-V3460 HydrophobicContact CE-CG1 3.67Å; M3413-V3460 HydrophobicContact SD-CG1 4.49Å; M3413-I3464 HydrophobicContact CB-CD1 3.84Å; M3413-I3464 HydrophobicContact CB-CG1 4.44Å |
| 3414 | T | 69.8 | Low | 61.6 | Low | 27.5 Ų | 27.5 | 53.2 Ų | 53.2 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -27.8 | 176.2 | 46.8 | 0 | 0 | 0 | 0 | 113.5 | V3301 Y3410 A3411 S3416 T3417 V3418 I3464 | V3301-T3414 HydrophobicContact CG2-CG2 3.91Å; Y3410-T3414 PolarHBondContact O-N 3.26Å; A3411-T3414 PolarHBondContact O-OG1 2.8Å; T3414-S3416 PolarHBondContact O-N 3.1Å; T3414-T3417 PolarHBondContact O-OG1 2.89Å; T3414-T3417 VanDerWaalsContact O-OG1 3.1Å; T3414-V3418 WeakPolarHBondContact O-CG2 3.42Å; T3414-I3464 HydrophobicContact CG2-CD1 4.33Å; T3414-I3464 HydrophobicContact CG2-CG2 3.47Å |
| 3415 | N | 55.8 | Low | 58.4 | Low | 76 Ų | 76 | 57.9 Ų | 57.9 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -80.7 | -11.9 | 179.9 | -65 | -18.6 | 0 | 0 | 0 | 112.6 | L3412 M3413 T3417 S3419 | L3412-N3415 PolarHBondContact O-N 3.22Å; M3413-N3415 VanDerWaalsContact C-N 3.26Å; M3413-N3415 PolarHBondContact O-N 3.07Å; M3413-N3415 VanDerWaalsContact O-N 3.11Å; N3415-T3417 VanDerWaalsContact C-N 3.33Å; N3415-T3417 PolarHBondContact O-N 3.5Å; N3415-S3419 PolarHBondContact O-OG 3.41Å |
| 3416 | S | 46.6 | Very low | 55.3 | Low | 38 Ų | 38 | 64.5 Ų | 64.5 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -90.5 | -32.3 | 179.1 | -54.3 | 0 | 0 | 0 | 0 | 112.9 | L3412 M3413 T3414 | L3412-S3416 PolarHBondContact O-N 3.18Å; L3412-S3416 PolarHBondContact O-OG 3.46Å; M3413-S3416 VanDerWaalsContact O-CB 3.3Å; M3413-S3416 WeakPolarHBondContact O-CB 3.33Å; M3413-S3416 PolarHBondContact O-N 3.18Å; M3413-S3416 PolarHBondContact O-OG 3.48Å; T3414-S3416 PolarHBondContact O-N 3.1Å |
| 3417 | T | 40.2 | Very low | 52.3 | Low | 81 Ų | 81 | 70.3 Ų | 70.3 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -82.7 | -16 | -172.6 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | T3414 N3415 S3419 | T3414-T3417 PolarHBondContact O-OG1 2.89Å; T3414-T3417 VanDerWaalsContact O-OG1 3.1Å; N3415-T3417 VanDerWaalsContact C-N 3.33Å; N3415-T3417 PolarHBondContact O-N 3.5Å; T3417-S3419 PolarHBondContact O-N 3.15Å |
| 3418 | V | 37.6 | Very low | 49.2 | Very low | 109.5 Ų | 109.5 | 76.4 Ų | 76.4 | 66% | 0.664 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.5 | -176.8 | -176.8 | 0 | 0 | 0 | 0 | 113.2 | T3414 T3420 | T3414-V3418 WeakPolarHBondContact O-CG2 3.42Å; V3418-T3420 PolarHBondContact O-N 2.97Å |
| 3419 | S | 30.5 | Very low | 46.2 | Very low | 97 Ų | 97 | 83.9 Ų | 83.9 | 68% | 0.678 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -11.7 | -173.4 | 0.3 | 0 | 0 | 0 | 0 | 115.3 | N3415 T3417 | N3415-S3419 PolarHBondContact O-OG 3.41Å; T3417-S3419 PolarHBondContact O-N 3.15Å |
| 3420 | T | 29 | Very low | 43.4 | Very low | 98.5 Ų | 98.5 | 91.6 Ų | 91.6 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | 48.2 | -172.6 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | V3418 | V3418-T3420 PolarHBondContact O-N 2.97Š|
| 3421 | T | 29.8 | Very low | 40.7 | Very low | 130 Ų | 130 | 94.8 Ų | 94.8 | 80% | 0.798 | 54% | 0.535 | S | S | * | . | trans | -146.8 | 56.6 | 157.5 | 45.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3422 | T | 26.8 | Very low | 37.9 | Very low | 113 Ų | 113 | 102.4 Ų | 102.4 | 69% | 0.693 | 57% | 0.57 | S | S | * | * | trans | -105.5 | 120.1 | 166 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | N3424 | T3422-N3424 PolarHBondContact O-N 3.01Š| ||
| 3423 | S | 26.2 | Very low | 35.4 | Very low | 110.5 Ų | 110.5 | 108.7 Ų | 108.7 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | trans | -10.5 | 89.5 | 163.9 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3424 | N | 26.5 | Very low | 33.4 | Very low | 129 Ų | 129 | 113.3 Ų | 113.3 | 69% | 0.69 | 61% | 0.613 | S | S | * | * | trans | -149.3 | 121 | 134 | -90.2 | -23.3 | 0 | 0 | 0 | 110.2 | T3422 N3426 F3427 | T3422-N3424 PolarHBondContact O-N 3.01Å; N3424-N3426 PolarHBondContact O-N 2.99Å; N3424-F3427 HydrophobicContact CB-CD2 4.26Å | ||
| 3425 | S | 26.3 | Very low | 31.6 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 72% | 0.72 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 87.2 | 174 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 3426 | N | 26.1 | Very low | 30.3 | Very low | 148.5 Ų | 148.5 | 120.9 Ų | 120.9 | 79% | 0.794 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.5 | 54.6 | -178.2 | -64.2 | -14.8 | 0 | 0 | 0 | 113.5 | N3424 | N3424-N3426 PolarHBondContact O-N 2.99Š|
| 3427 | F | 26.4 | Very low | 29.5 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | trans | -127.3 | 72.2 | 165.6 | -106.8 | -85.9 | 0 | 0 | 0 | 110.9 | N3424 F3429 | N3424-F3427 HydrophobicContact CB-CD2 4.26Å; F3427-F3429 PolarHBondContact O-N 3.19Å | ||
| 3428 | D | 25.6 | Very low | 28.8 | Very low | 128.5 Ų | 128.5 | 128 Ų | 128 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 83.9 | -176.3 | -69 | -54 | 0 | 0 | 0 | 113.9 | Y3430 S3431 | D3428-Y3430 VanDerWaalsContact C-N 3.31Å; D3428-Y3430 PolarHBondContact O-N 3.22Å; D3428-S3431 PolarHBondContact O-OG 3.37Å |
| 3429 | F | 27.7 | Very low | 28.3 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 69% | 0.693 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 47.2 | -178.2 | -106.2 | -95.5 | 0 | 0 | 0 | 112.8 | H3233 F3427 | H3233-F3429 AromaticContact NE2-CE1 3.94Å; H3233-F3429 AromaticContact NE2-CZ 3.45Å; H3233-F3429 WeakPolarHBondContact NE2-CZ 3.46Å; F3427-F3429 PolarHBondContact O-N 3.19Å |
| 3430 | Y | 28.6 | Very low | 28.1 | Very low | 164 Ų | 164 | 131 Ų | 131 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 39.7 | 169.9 | -81.4 | -80.7 | 0 | 0 | 0 | 112 | Y3021 D3428 | Y3021-Y3430 HydrophobicContact CE1-CE1 4.04Å; Y3021-Y3430 PolarHBondContact OH-OH 3.49Å; D3428-Y3430 VanDerWaalsContact C-N 3.31Å; D3428-Y3430 PolarHBondContact O-N 3.22Å |
| 3431 | S | 29.6 | Very low | 28.1 | Very low | 79.5 Ų | 79.5 | 132.2 Ų | 132.2 | 56% | 0.556 | 69% | 0.685 | S | S | * | * | trans | -96.5 | 39.7 | 178.6 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | D3428 Y3433 | D3428-S3431 PolarHBondContact O-OG 3.37Å; S3431-Y3433 PolarHBondContact O-N 3.38Å | ||
| 3432 | H | 27.5 | Very low | 27.9 | Very low | 160.5 Ų | 160.5 | 133.1 Ų | 133.1 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 49.8 | 176.1 | -95.3 | -44.4 | 0 | 0 | 0 | 113.1 | ||
| 3433 | Y | 31 | Very low | 28 | Very low | 156.5 Ų | 156.5 | 134.3 Ų | 134.3 | 61% | 0.614 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -118 | 111.6 | 170.7 | -74.4 | -77.7 | 0 | 0 | 0 | 110.8 | S3431 | S3431-Y3433 PolarHBondContact O-N 3.38Š|
| 3434 | K | 34 | Very low | 27.9 | Very low | 105.5 Ų | 105.5 | 137.1 Ų | 137.1 | 46% | 0.459 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -169.3 | 124.7 | 168.3 | -108.9 | 166.7 | 135.7 | -174.9 | 0 | 111.5 | I2976 S2977 E3023 | I2976-K3434 VanDerWaalsContact C-NZ 3.3Å; I2976-K3434 WeakPolarHBondContact O-CE 3.43Å; I2976-K3434 PolarHBondContact O-NZ 3.44Å; S2977-K3434 VanDerWaalsContact CA-CE 3.48Å; E3023-K3434 IonicContact OE1-NZ 2.93Å; E3023-K3434 PolarHBondContact OE1-NZ 3.46Å |
| 3435 | Y | 32.4 | Very low | 27.9 | Very low | 113.5 Ų | 113.5 | 139.2 Ų | 139.2 | 45% | 0.445 | 69% | 0.692 | S | S | . | * | trans | 161 | 98.3 | -175.8 | -67.7 | -74.9 | 0 | 0 | 0 | 111.2 | S3379 Y3437 | S3379-Y3435 VanDerWaalsContact OG-CD1 3.28Å; S3379-Y3435 WeakPolarHBondContact OG-CD1 3.29Å; S3379-Y3435 WeakPolarHBondContact OG-CE1 3.14Å; Y3435-Y3437 VanDerWaalsContact O-CD2 3.22Å; Y3435-Y3437 WeakPolarHBondContact O-CD2 3.27Å; Y3435-Y3437 PolarHBondContact O-N 3.02Å | ||
| 3436 | D | 27.6 | Very low | 27.9 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | trans | -62.2 | 119.4 | 159.6 | -95.7 | -47.9 | 0 | 0 | 0 | 108.4 | N3438 | D3436-N3438 PolarHBondContact O-N 3.21Š| ||
| 3437 | Y | 30.2 | Very low | 27.9 | Very low | 119.5 Ų | 119.5 | 140.9 Ų | 140.9 | 47% | 0.469 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.4 | 44.1 | -178.7 | -122.8 | -77.7 | 0 | 0 | 0 | 111.9 | N3372 C3375 I3376 Y3435 | N3372-Y3437 PolarHBondContact OD1-OH 3.45Å; C3375-Y3437 HydrophobicContact CB-CE1 4.23Å; C3375-Y3437 WeakPolarHBondContact SG-CE1 3.26Å; I3376-Y3437 WeakPolarHBondContact CG1-OH 3.49Å; Y3435-Y3437 VanDerWaalsContact O-CD2 3.22Å; Y3435-Y3437 WeakPolarHBondContact O-CD2 3.27Å; Y3435-Y3437 PolarHBondContact O-N 3.02Å |
| 3438 | N | 25.8 | Very low | 27.9 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 63.6 | 177.5 | -82.9 | -34 | 0 | 0 | 0 | 112.7 | D3436 T3440 | D3436-N3438 PolarHBondContact O-N 3.21Å; N3438-T3440 PolarHBondContact O-N 3Å; N3438-T3440 VanDerWaalsContact O-N 3.15Å |
| 3439 | D | 27.5 | Very low | 28 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -130.1 | 126.2 | 134.9 | -99.7 | -24.5 | 0 | 0 | 0 | 112.5 | ||
| 3440 | T | 25.6 | Very low | 28 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 70% | 0.703 | S | S | * | * | trans | -38.3 | 115.9 | 159.6 | 55.8 | 0 | 0 | 0 | 0 | 115.5 | N3438 | N3438-T3440 PolarHBondContact O-N 3Å; N3438-T3440 VanDerWaalsContact O-N 3.15Å | ||
| 3441 | V | 29.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 75% | 0.745 | 70% | 0.697 | S | S | * | * | trans | 153.1 | 108.5 | 157 | 179.9 | 0 | 0 | 0 | 0 | 113.7 | I3443 | V3441-I3443 HydrophobicContact CG1-CB 4.3Å; V3441-I3443 HydrophobicContact CG1-CD1 4.13Å; V3441-I3443 HydrophobicContact CG1-CG1 3.94Å; V3441-I3443 PolarHBondContact O-N 3.42Å | ||
| 3442 | N | 24.3 | Very low | 28.4 | Very low | 149.5 Ų | 149.5 | 134.9 Ų | 134.9 | 80% | 0.799 | 69% | 0.691 | S | S | * | * | trans | -0.9 | 104.5 | 158.6 | -76.4 | -21.3 | 0 | 0 | 0 | 115.1 | ||||
| 3443 | I | 28.9 | Very low | 28.8 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 70% | 0.703 | 69% | 0.688 | S | S | * | * | trans | 151.8 | 112.6 | 147.6 | -60.9 | 176.2 | 0 | 0 | 0 | 114.9 | V3441 | V3441-I3443 HydrophobicContact CG1-CB 4.3Å; V3441-I3443 HydrophobicContact CG1-CD1 4.13Å; V3441-I3443 HydrophobicContact CG1-CG1 3.94Å; V3441-I3443 PolarHBondContact O-N 3.42Å | ||
| 3444 | E | 25.8 | Very low | 29 | Very low | 169.5 Ų | 169.5 | 133 Ų | 133 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | trans | 48.6 | 117.2 | 148.2 | -69.4 | 173.5 | -176.4 | 0 | 0 | 121.1 | N3446 | E3444-N3446 PolarHBondContact O-N 2.96Š| ||
| 3445 | Q | 25.9 | Very low | 29.3 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | trans | -8.4 | 121.8 | 144.1 | -61.5 | 172.6 | -18.1 | 0 | 0 | 115.4 | ||||
| 3446 | N | 26.6 | Very low | 30 | Very low | 135.5 Ų | 135.5 | 129.6 Ų | 129.6 | 73% | 0.725 | 69% | 0.685 | S | S | * | * | trans | 136 | 107.2 | 158.6 | -66.8 | -41.9 | 0 | 0 | 0 | 113.6 | E3444 | E3444-N3446 PolarHBondContact O-N 2.96Š| ||
| 3447 | N | 26.1 | Very low | 31.1 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 67% | 0.672 | S | S | * | * | trans | 128.1 | 100.4 | 131.6 | -74 | -24.8 | 0 | 0 | 0 | 114.3 | ||||
| 3448 | L | 26.7 | Very low | 32.3 | Very low | 147.5 Ų | 147.5 | 123.9 Ų | 123.9 | 77% | 0.772 | 67% | 0.67 | S | S | * | * | trans | -130.8 | 112.3 | 161.1 | -137.7 | 89.2 | 0 | 0 | 0 | 108.7 | I3451 M3456 | L3448-I3451 HydrophobicContact CD1-CD1 4.05Å; L3448-I3451 HydrophobicContact CD2-CD1 4.39Å; L3448-I3451 HydrophobicContact CG-CD1 4.26Å; L3448-M3456 HydrophobicContact CD2-CE 4.42Å | ||
| 3449 | T | 27.4 | Very low | 34.3 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | trans | -91.8 | 138.7 | 178.5 | 43.8 | 0 | 0 | 0 | 0 | 110.9 | I3451 | T3449-I3451 PolarHBondContact O-N 2.79Š| ||
| 3450 | T | 27.9 | Very low | 36.2 | Very low | 138 Ų | 138 | 114.9 Ų | 114.9 | 85% | 0.847 | 63% | 0.625 | S | S | * | * | trans | 4.4 | 81.1 | 175.6 | 32.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3451 | I | 31 | Very low | 38.3 | Very low | 97.5 Ų | 97.5 | 112 Ų | 112 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | trans | -100.7 | 129.5 | 153 | -61.3 | 175.5 | 0 | 0 | 0 | 105.7 | L3448 T3449 D3455 M3456 | L3448-I3451 HydrophobicContact CD1-CD1 4.05Å; L3448-I3451 HydrophobicContact CD2-CD1 4.39Å; L3448-I3451 HydrophobicContact CG-CD1 4.26Å; T3449-I3451 PolarHBondContact O-N 2.79Å; I3451-D3455 HydrophobicContact CG2-CB 3.76Å; I3451-M3456 HydrophobicContact CB-SD 4.49Å; I3451-M3456 HydrophobicContact CD1-SD 4.31Å; I3451-M3456 HydrophobicContact CG2-CG 4.02Å; I3451-M3456 HydrophobicContact CG2-SD 4.04Å | ||
| 3452 | T | 34.3 | Very low | 40.5 | Very low | 72 Ų | 72 | 109.5 Ų | 109.5 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | trans | -71.8 | 149 | -179.2 | 74.2 | 0 | 0 | 0 | 0 | 110.6 | H3454 D3455 | T3452-H3454 PolarHBondContact O-N 3.3Å; T3452-H3454 PolarHBondContact OG1-N 3.37Å; T3452-D3455 WeakPolarHBondContact CA-OD2 3.47Å; T3452-D3455 VanDerWaalsContact CB-OD2 3.27Å; T3452-D3455 WeakPolarHBondContact CB-OD2 3.5Å; T3452-D3455 PolarHBondContact N-OD2 2.93Å; T3452-D3455 PolarHBondContact O-N 3.3Å; T3452-D3455 PolarHBondContact OG1-OD2 3.43Å | ||
| 3453 | N | 35.6 | Very low | 43.1 | Very low | 125 Ų | 125 | 103.7 Ų | 103.7 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.6 | -14.2 | -178.7 | -74.3 | -30.8 | 0 | 0 | 0 | 113.8 | P3370 N3457 | P3370-N3453 HydrophobicContact CG-CB 4.05Å; P3370-N3453 WeakPolarHBondContact CG-OD1 3.22Å; N3453-N3457 PolarHBondContact O-ND2 2.76Å |
| 3454 | H | 36.3 | Very low | 45.6 | Very low | 151 Ų | 151 | 97.7 Ų | 97.7 | 70% | 0.699 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -76.9 | -40.4 | -178.8 | -131.5 | -72.1 | 0 | 0 | 0 | 112.2 | T3452 N3457 A3458 | T3452-H3454 PolarHBondContact O-N 3.3Å; T3452-H3454 PolarHBondContact OG1-N 3.37Å; H3454-N3457 PolarHBondContact O-N 2.85Å; H3454-A3458 PolarHBondContact O-N 3.13Å |
| 3455 | D | 40.2 | Very low | 48.2 | Very low | 80 Ų | 80 | 90.8 Ų | 90.8 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | -175.4 | -61.7 | -35.7 | 0 | 0 | 0 | 112.5 | I3451 T3452 N3457 A3458 T3459 | I3451-D3455 HydrophobicContact CG2-CB 3.76Å; T3452-D3455 WeakPolarHBondContact CA-OD2 3.47Å; T3452-D3455 VanDerWaalsContact CB-OD2 3.27Å; T3452-D3455 WeakPolarHBondContact CB-OD2 3.5Å; T3452-D3455 PolarHBondContact N-OD2 2.93Å; T3452-D3455 PolarHBondContact O-N 3.3Å; T3452-D3455 PolarHBondContact OG1-OD2 3.43Å; D3455-N3457 VanDerWaalsContact C-N 3.32Å; D3455-N3457 PolarHBondContact O-N 3.33Å; D3455-A3458 PolarHBondContact O-N 3.05Å; D3455-T3459 WeakPolarHBondContact O-CB 3.31Å; D3455-T3459 PolarHBondContact O-N 3.29Å; D3455-T3459 PolarHBondContact O-OG1 3.06Å |
| 3456 | M | 47.7 | Very low | 51 | Low | 69 Ų | 69 | 85.2 Ų | 85.2 | 34% | 0.34 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 177 | -68.2 | -68.2 | -90 | 0 | 0 | 111.3 | P3370 L3448 I3451 T3459 V3460 | P3370-M3456 HydrophobicContact CB-CB 4.46Å; L3448-M3456 HydrophobicContact CD2-CE 4.42Å; I3451-M3456 HydrophobicContact CB-SD 4.49Å; I3451-M3456 HydrophobicContact CD1-SD 4.31Å; I3451-M3456 HydrophobicContact CG2-CG 4.02Å; I3451-M3456 HydrophobicContact CG2-SD 4.04Å; M3456-T3459 PolarHBondContact O-N 3.29Å; M3456-V3460 WeakPolarHBondContact O-CB 3.42Å; M3456-V3460 VanDerWaalsContact O-CG2 3.3Å; M3456-V3460 WeakPolarHBondContact O-CG2 3.4Å; M3456-V3460 PolarHBondContact O-N 3.26Å |
| 3457 | N | 50.2 | Low | 53.9 | Low | 99 Ų | 99 | 78.8 Ų | 78.8 | 53% | 0.529 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 178.5 | -76.9 | -29.7 | 0 | 0 | 0 | 112.2 | N3453 H3454 D3455 T3459 V3460 S3461 | N3453-N3457 PolarHBondContact O-ND2 2.76Å; H3454-N3457 PolarHBondContact O-N 2.85Å; D3455-N3457 VanDerWaalsContact C-N 3.32Å; D3455-N3457 PolarHBondContact O-N 3.33Å; N3457-T3459 VanDerWaalsContact C-N 3.34Å; N3457-V3460 PolarHBondContact O-N 3.42Å; N3457-S3461 WeakPolarHBondContact O-CB 3.29Å; N3457-S3461 PolarHBondContact O-N 3.26Å |
| 3458 | A | 55.9 | Low | 56.8 | Low | 50 Ų | 50 | 71.6 Ų | 71.6 | 41% | 0.413 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H3454 D3455 S3461 N3462 | H3454-A3458 PolarHBondContact O-N 3.13Å; D3455-A3458 PolarHBondContact O-N 3.05Å; A3458-S3461 PolarHBondContact O-N 3.1Å; A3458-N3462 WeakPolarHBondContact O-CB 3.33Å; A3458-N3462 PolarHBondContact O-N 3.13Å; A3458-N3462 PolarHBondContact O-ND2 3.43Å |
| 3459 | T | 66.3 | Low | 59.8 | Low | 80.5 Ų | 80.5 | 64.6 Ų | 64.6 | 49% | 0.494 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 178.3 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | D3455 M3456 N3457 N3462 L3463 | D3455-T3459 WeakPolarHBondContact O-CB 3.31Å; D3455-T3459 PolarHBondContact O-N 3.29Å; D3455-T3459 PolarHBondContact O-OG1 3.06Å; M3456-T3459 PolarHBondContact O-N 3.29Å; N3457-T3459 VanDerWaalsContact C-N 3.34Å; T3459-N3462 PolarHBondContact O-N 2.93Å; T3459-L3463 WeakPolarHBondContact O-CB 3.31Å; T3459-L3463 PolarHBondContact O-N 2.71Å |
| 3460 | V | 68.8 | Low | 62.8 | Low | 25.5 Ų | 25.5 | 61.3 Ų | 61.3 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | Y3373 M3413 M3456 N3457 L3463 I3464 | Y3373-V3460 HydrophobicContact CD2-CG1 4.33Å; Y3373-V3460 HydrophobicContact CD2-CG2 4.17Å; Y3373-V3460 HydrophobicContact CG-CG2 4.27Å; M3413-V3460 HydrophobicContact CE-CG1 3.67Å; M3413-V3460 HydrophobicContact SD-CG1 4.49Å; M3456-V3460 WeakPolarHBondContact O-CB 3.42Å; M3456-V3460 VanDerWaalsContact O-CG2 3.3Å; M3456-V3460 WeakPolarHBondContact O-CG2 3.4Å; M3456-V3460 PolarHBondContact O-N 3.26Å; N3457-V3460 PolarHBondContact O-N 3.42Å; V3460-L3463 PolarHBondContact O-N 3.3Å; V3460-I3464 HydrophobicContact CG1-CD1 4.11Å; V3460-I3464 WeakPolarHBondContact O-CG1 3.47Å; V3460-I3464 PolarHBondContact O-N 3.32Å |
| 3461 | S | 69.5 | Low | 66 | Low | 63.5 Ų | 63.5 | 54.9 Ų | 54.9 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 176.6 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | N3457 A3458 L3463 I3464 T3465 | N3457-S3461 WeakPolarHBondContact O-CB 3.29Å; N3457-S3461 PolarHBondContact O-N 3.26Å; A3458-S3461 PolarHBondContact O-N 3.1Å; S3461-L3463 VanDerWaalsContact C-N 3.34Å; S3461-L3463 PolarHBondContact O-N 3.27Å; S3461-I3464 WeakPolarHBondContact O-CB 3.39Å; S3461-I3464 PolarHBondContact O-N 3.34Å; S3461-T3465 WeakPolarHBondContact O-CB 3.4Å; S3461-T3465 PolarHBondContact O-N 3.07Å; S3461-T3465 PolarHBondContact O-OG1 2.96Å |
| 3462 | N | 74.7 | Confident | 69 | Low | 69.5 Ų | 69.5 | 50.3 Ų | 50.3 | 37% | 0.372 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 175.9 | -73.5 | -22.3 | 0 | 0 | 0 | 111.9 | A3458 T3459 I3464 T3465 Y3466 I3601 | A3458-N3462 WeakPolarHBondContact O-CB 3.33Å; A3458-N3462 PolarHBondContact O-N 3.13Å; A3458-N3462 PolarHBondContact O-ND2 3.43Å; T3459-N3462 PolarHBondContact O-N 2.93Å; N3462-I3464 VanDerWaalsContact C-N 3.29Å; N3462-I3464 PolarHBondContact O-N 3.17Å; N3462-T3465 WeakPolarHBondContact O-CB 3.39Å; N3462-T3465 PolarHBondContact O-N 3.24Å; N3462-Y3466 HydrophobicContact CB-CD2 4.41Å; N3462-Y3466 HydrophobicContact CB-CE2 4.47Å; N3462-Y3466 VanDerWaalsContact O-CD2 3.23Å; N3462-Y3466 WeakPolarHBondContact O-CD2 3.43Å; N3462-Y3466 PolarHBondContact O-N 3.25Å; N3462-I3601 HydrophobicContact CB-CD1 3.98Å |
| 3463 | L | 79.8 | Confident | 71.8 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 177.3 | -173.6 | 59.5 | 0 | 0 | 0 | 112.5 | Y3373 Y3410 T3459 V3460 S3461 S3467 K3470 I3601 | Y3373-L3463 HydrophobicContact CE2-CD2 4.12Å; Y3410-L3463 HydrophobicContact CD1-CD2 4.41Å; Y3410-L3463 HydrophobicContact CD1-CG 4.21Å; Y3410-L3463 HydrophobicContact CE1-CD1 4.06Å; Y3410-L3463 HydrophobicContact CE1-CD2 3.66Å; Y3410-L3463 HydrophobicContact CE1-CG 3.6Å; T3459-L3463 WeakPolarHBondContact O-CB 3.31Å; T3459-L3463 PolarHBondContact O-N 2.71Å; V3460-L3463 PolarHBondContact O-N 3.3Å; S3461-L3463 VanDerWaalsContact C-N 3.34Å; S3461-L3463 PolarHBondContact O-N 3.27Å; L3463-S3467 WeakPolarHBondContact O-CA 3.4Å; L3463-S3467 VanDerWaalsContact O-CB 3.29Å; L3463-S3467 WeakPolarHBondContact O-CB 3.13Å; L3463-S3467 PolarHBondContact O-N 2.97Å; L3463-K3470 HydrophobicContact CD1-CD 4.46Å; L3463-I3601 HydrophobicContact CD1-CD1 4.49Å; L3463-I3601 HydrophobicContact CD1-CG2 4.09Å |
| 3464 | I | 81.1 | Confident | 74.6 | Confident | 10.5 Ų | 10.5 | 42.8 Ų | 42.8 | 5% | 0.054 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.5 | -48.4 | 172.9 | -67.9 | 167.8 | 0 | 0 | 0 | 110.4 | C3297 V3301 V3347 M3413 T3414 V3460 S3461 N3462 Y3466 S3467 | C3297-I3464 HydrophobicContact CB-CG2 4.32Å; V3301-I3464 HydrophobicContact CG2-CG2 3.84Å; V3347-I3464 HydrophobicContact CG1-CG2 4.35Å; V3347-I3464 HydrophobicContact CG2-CG2 4.07Å; M3413-I3464 HydrophobicContact CB-CD1 3.84Å; M3413-I3464 HydrophobicContact CB-CG1 4.44Å; T3414-I3464 HydrophobicContact CG2-CD1 4.33Å; T3414-I3464 HydrophobicContact CG2-CG2 3.47Å; V3460-I3464 HydrophobicContact CG1-CD1 4.11Å; V3460-I3464 WeakPolarHBondContact O-CG1 3.47Å; V3460-I3464 PolarHBondContact O-N 3.32Å; S3461-I3464 WeakPolarHBondContact O-CB 3.39Å; S3461-I3464 PolarHBondContact O-N 3.34Å; N3462-I3464 VanDerWaalsContact C-N 3.29Å; N3462-I3464 PolarHBondContact O-N 3.17Å; I3464-Y3466 PolarHBondContact O-N 3.19Å; I3464-S3467 WeakPolarHBondContact O-CB 3.27Å; I3464-S3467 PolarHBondContact O-N 3.4Å; I3464-S3467 PolarHBondContact O-OG 3.11Å |
| 3465 | T | 80.1 | Confident | 77.5 | Confident | 25.5 Ų | 25.5 | 35.6 Ų | 35.6 | 16% | 0.156 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.2 | -45.9 | -178.8 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | S3300 K3345 V3347 S3461 N3462 | S3300-T3465 VanDerWaalsContact CB-O 3.23Å; S3300-T3465 WeakPolarHBondContact CB-O 3.35Å; S3300-T3465 PolarHBondContact OG-O 3.35Å; K3345-T3465 VanDerWaalsContact O-CG2 3.23Å; K3345-T3465 WeakPolarHBondContact O-CG2 3.44Å; V3347-T3465 VanDerWaalsContact CG2-CA 3.5Å; V3347-T3465 HydrophobicContact CG2-CG2 4.41Å; V3347-T3465 WeakPolarHBondContact CG2-OG1 3.42Å; S3461-T3465 WeakPolarHBondContact O-CB 3.4Å; S3461-T3465 PolarHBondContact O-N 3.07Å; S3461-T3465 PolarHBondContact O-OG1 2.96Å; N3462-T3465 WeakPolarHBondContact O-CB 3.39Å; N3462-T3465 PolarHBondContact O-N 3.24Å |
| 3466 | Y | 84.2 | Confident | 80.1 | Confident | 55 Ų | 55 | 31.9 Ų | 31.9 | 22% | 0.216 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.9 | -178.6 | -61.8 | -71.8 | 0 | 0 | 0 | 114.1 | L3344 K3345 N3462 I3464 G3468 L3469 K3470 I3601 | L3344-Y3466 HydrophobicContact CD2-CE1 3.99Å; K3345-Y3466 HydrophobicContact CD-CD1 4.28Å; K3345-Y3466 HydrophobicContact CD-CE1 3.81Å; K3345-Y3466 HydrophobicContact CG-CD1 3.91Å; K3345-Y3466 HydrophobicContact CG-CE1 3.87Å; N3462-Y3466 HydrophobicContact CB-CD2 4.41Å; N3462-Y3466 HydrophobicContact CB-CE2 4.47Å; N3462-Y3466 VanDerWaalsContact O-CD2 3.23Å; N3462-Y3466 WeakPolarHBondContact O-CD2 3.43Å; N3462-Y3466 PolarHBondContact O-N 3.25Å; I3464-Y3466 PolarHBondContact O-N 3.19Å; Y3466-G3468 PolarHBondContact O-N 3Å; Y3466-L3469 HydrophobicContact CD1-CD2 4.31Å; Y3466-L3469 PolarHBondContact O-N 3.24Å; Y3466-K3470 WeakPolarHBondContact O-CB 3.21Å; Y3466-K3470 PolarHBondContact O-N 3.29Å; Y3466-I3601 HydrophobicContact CD2-CD1 4.09Å |
| 3467 | S | 88.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.6 | -45.4 | -175.4 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | S3300 Y3410 L3463 I3464 K3470 I3471 | S3300-S3467 PolarHBondContact OG-N 2.85Å; S3300-S3467 PolarHBondContact OG-OG 3.49Å; Y3410-S3467 VanDerWaalsContact CD2-CB 3.46Å; L3463-S3467 WeakPolarHBondContact O-CA 3.4Å; L3463-S3467 VanDerWaalsContact O-CB 3.29Å; L3463-S3467 WeakPolarHBondContact O-CB 3.13Å; L3463-S3467 PolarHBondContact O-N 2.97Å; I3464-S3467 WeakPolarHBondContact O-CB 3.27Å; I3464-S3467 PolarHBondContact O-N 3.4Å; I3464-S3467 PolarHBondContact O-OG 3.11Å; S3467-K3470 PolarHBondContact O-N 3.13Å; S3467-I3471 WeakPolarHBondContact O-CG1 3.47Å; S3467-I3471 PolarHBondContact O-N 3.12Å; S3467-I3471 VanDerWaalsContact O-N 3.14Å |
| 3468 | G | 87.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S3300 Y3466 K3470 I3471 L3472 | S3300-G3468 VanDerWaalsContact O-CA 3.25Å; S3300-G3468 WeakPolarHBondContact O-CA 3.44Å; S3300-G3468 PolarHBondContact O-N 2.87Å; S3300-G3468 PolarHBondContact OG-N 3.32Å; S3300-G3468 VanDerWaalsContact OG-N 3.12Å; Y3466-G3468 PolarHBondContact O-N 3Å; G3468-K3470 VanDerWaalsContact C-N 3.35Å; G3468-K3470 PolarHBondContact O-N 2.97Å; G3468-I3471 PolarHBondContact O-N 3.07Å; G3468-L3472 WeakPolarHBondContact O-CB 3.36Å; G3468-L3472 PolarHBondContact O-N 3.2Å; G3468-L3472 VanDerWaalsContact O-N 3.09Å |
| 3469 | L | 89.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 176.7 | 179.1 | 61.7 | 0 | 0 | 0 | 112 | M3337 L3344 K3345 Y3466 L3472 L3473 L3597 T3602 | M3337-L3469 HydrophobicContact CG-CD1 4.09Å; M3337-L3469 HydrophobicContact SD-CD1 4.33Å; L3344-L3469 HydrophobicContact CB-CB 4.32Å; K3345-L3469 HydrophobicContact CG-CD2 4.34Å; Y3466-L3469 HydrophobicContact CD1-CD2 4.31Å; Y3466-L3469 PolarHBondContact O-N 3.24Å; L3469-L3472 PolarHBondContact O-N 2.9Å; L3469-L3473 HydrophobicContact CD1-CD1 3.96Å; L3469-L3473 HydrophobicContact CD1-CG 4.2Å; L3469-L3473 HydrophobicContact CG-CD1 3.91Å; L3469-L3473 WeakPolarHBondContact O-CB 3.32Å; L3469-L3473 WeakPolarHBondContact O-CG 3.31Å; L3469-L3473 PolarHBondContact O-N 3.07Å; L3469-L3597 HydrophobicContact CD1-CD2 4.15Å; L3469-L3597 HydrophobicContact CD2-CD2 3.89Å; L3469-T3602 HydrophobicContact CD2-CG2 4.02Å; L3469-T3602 HydrophobicContact CG-CG2 4.17Å |
| 3470 | K | 91 | Very high | 87.5 | Confident | 45.5 Ų | 45.5 | 20 Ų | 20 | 20% | 0.198 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.6 | -53.2 | 177.8 | -173.6 | -160.3 | 177.1 | -61.4 | 0 | 111.1 | L3463 Y3466 S3467 G3468 L3472 L3473 D3474 I3601 | L3463-K3470 HydrophobicContact CD1-CD 4.46Å; Y3466-K3470 WeakPolarHBondContact O-CB 3.21Å; Y3466-K3470 PolarHBondContact O-N 3.29Å; S3467-K3470 PolarHBondContact O-N 3.13Å; G3468-K3470 VanDerWaalsContact C-N 3.35Å; G3468-K3470 PolarHBondContact O-N 2.97Å; K3470-L3472 VanDerWaalsContact C-N 3.33Å; K3470-L3472 PolarHBondContact O-N 2.84Å; K3470-L3473 PolarHBondContact O-N 3.15Å; K3470-L3473 VanDerWaalsContact O-N 3.14Å; K3470-D3474 VanDerWaalsContact NZ-CG 3.33Å; K3470-D3474 IonicContact NZ-OD1 3.73Å; K3470-D3474 PolarHBondContact NZ-OD1 3.35Å; K3470-D3474 IonicContact NZ-OD2 3.32Å; K3470-D3474 PolarHBondContact NZ-OD2 3.08Å; K3470-D3474 VanDerWaalsContact O-CG 3.29Å; K3470-D3474 PolarHBondContact O-N 2.93Å; K3470-I3601 HydrophobicContact CB-CG2 3.96Å; K3470-I3601 HydrophobicContact CD-CG2 3.7Å; K3470-I3601 HydrophobicContact CG-CG2 3.86Å |
| 3471 | I | 93.2 | Very high | 88.7 | Confident | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.1 | -34.1 | -177.5 | -62.2 | -172.9 | 0 | 0 | 0 | 111.3 | A3304 F3307 A3308 L3311 A3407 Y3410 S3467 G3468 D3474 L3475 | A3304-I3471 HydrophobicContact CB-CD1 3.92Å; F3307-I3471 HydrophobicContact CB-CB 4.35Å; F3307-I3471 HydrophobicContact CB-CG2 3.74Å; A3308-I3471 HydrophobicContact CB-CD1 4.38Å; A3308-I3471 HydrophobicContact CB-CG2 4.24Å; L3311-I3471 HydrophobicContact CD2-CG2 4.07Å; A3407-I3471 HydrophobicContact CB-CD1 3.85Å; Y3410-I3471 HydrophobicContact CE2-CD1 4.36Å; S3467-I3471 WeakPolarHBondContact O-CG1 3.47Å; S3467-I3471 PolarHBondContact O-N 3.12Å; S3467-I3471 VanDerWaalsContact O-N 3.14Å; G3468-I3471 PolarHBondContact O-N 3.07Å; I3471-D3474 PolarHBondContact O-N 2.94Å; I3471-L3475 VanDerWaalsContact O-CB 3.29Å; I3471-L3475 WeakPolarHBondContact O-CB 3.3Å; I3471-L3475 PolarHBondContact O-N 2.82Å |
| 3472 | L | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 170.5 | -177.3 | 158.5 | 0 | 0 | 0 | 111.5 | F3307 L3333 Y3336 M3337 L3344 G3468 L3469 K3470 L3475 L3476 | F3307-L3472 HydrophobicContact CD1-CB 4.47Å; F3307-L3472 HydrophobicContact CD1-CG 4.43Å; F3307-L3472 HydrophobicContact CD2-CB 3.9Å; F3307-L3472 HydrophobicContact CD2-CD1 4.46Å; F3307-L3472 HydrophobicContact CD2-CG 4.44Å; F3307-L3472 HydrophobicContact CE1-CD1 4.05Å; F3307-L3472 HydrophobicContact CE1-CG 4.16Å; F3307-L3472 HydrophobicContact CE2-CB 4.06Å; F3307-L3472 HydrophobicContact CE2-CD1 3.86Å; F3307-L3472 HydrophobicContact CE2-CG 4.2Å; F3307-L3472 HydrophobicContact CG-CB 4.19Å; F3307-L3472 HydrophobicContact CZ-CB 4.37Å; F3307-L3472 HydrophobicContact CZ-CD1 3.62Å; F3307-L3472 HydrophobicContact CZ-CG 4.08Å; L3333-L3472 HydrophobicContact CB-CG 4.47Å; L3333-L3472 HydrophobicContact CD2-CD1 4.05Å; L3333-L3472 HydrophobicContact CD2-CG 4.24Å; Y3336-L3472 HydrophobicContact CD1-CD1 3.69Å; Y3336-L3472 HydrophobicContact CE1-CD1 3.96Å; M3337-L3472 HydrophobicContact CB-CD1 4.41Å; M3337-L3472 HydrophobicContact CB-CD2 3.91Å; M3337-L3472 HydrophobicContact CG-CD1 4.04Å; M3337-L3472 HydrophobicContact CG-CD2 3.74Å; M3337-L3472 HydrophobicContact CG-CG 4.42Å; M3337-L3472 HydrophobicContact SD-CD2 3.61Å; M3337-L3472 WeakPolarHBondContact SD-CD2 3.45Å; L3344-L3472 HydrophobicContact CD1-CD1 4.02Å; G3468-L3472 WeakPolarHBondContact O-CB 3.36Å; G3468-L3472 PolarHBondContact O-N 3.2Å; G3468-L3472 VanDerWaalsContact O-N 3.09Å; L3469-L3472 PolarHBondContact O-N 2.9Å; K3470-L3472 VanDerWaalsContact C-N 3.33Å; K3470-L3472 PolarHBondContact O-N 2.84Å; L3472-L3475 WeakPolarHBondContact O-CB 3.18Å; L3472-L3475 PolarHBondContact O-N 3.31Å; L3472-L3476 WeakPolarHBondContact O-CB 3.31Å; L3472-L3476 PolarHBondContact O-N 3.16Å |
| 3473 | L | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.7 | -38.2 | -179.5 | -79.1 | 168.5 | 0 | 0 | 0 | 112.4 | M3337 L3469 K3470 L3475 L3476 S3477 L3593 T3602 P3605 I3606 | M3337-L3473 HydrophobicContact CE-CD2 3.3Å; M3337-L3473 HydrophobicContact CE-CG 4.06Å; M3337-L3473 HydrophobicContact SD-CD2 3.8Å; M3337-L3473 HydrophobicContact SD-CG 4.32Å; L3469-L3473 HydrophobicContact CD1-CD1 3.96Å; L3469-L3473 HydrophobicContact CD1-CG 4.2Å; L3469-L3473 HydrophobicContact CG-CD1 3.91Å; L3469-L3473 WeakPolarHBondContact O-CB 3.32Å; L3469-L3473 WeakPolarHBondContact O-CG 3.31Å; L3469-L3473 PolarHBondContact O-N 3.07Å; K3470-L3473 PolarHBondContact O-N 3.15Å; K3470-L3473 VanDerWaalsContact O-N 3.14Å; L3473-L3475 VanDerWaalsContact C-N 3.32Å; L3473-L3475 PolarHBondContact O-N 3.31Å; L3473-L3476 PolarHBondContact O-N 3.06Å; L3473-S3477 VanDerWaalsContact O-CB 3.22Å; L3473-S3477 WeakPolarHBondContact O-CB 3.33Å; L3473-S3477 PolarHBondContact O-N 2.67Å; L3473-L3593 HydrophobicContact CD2-CD2 4.22Å; L3473-T3602 HydrophobicContact CD1-CG2 3.62Å; L3473-P3605 HydrophobicContact CB-CB 3.87Å; L3473-P3605 HydrophobicContact CB-CG 3.75Å; L3473-I3606 HydrophobicContact CD1-CD1 3.99Å; L3473-I3606 HydrophobicContact CD1-CG1 3.94Å; L3473-I3606 HydrophobicContact CD2-CG1 4Å |
| 3474 | D | 94.8 | Very high | 90.9 | Very high | 40 Ų | 40 | 18 Ų | 18 | 21% | 0.214 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 172.3 | -70.9 | -35.1 | 0 | 0 | 0 | 110.8 | L3311 K3470 I3471 Y3478 | L3311-D3474 HydrophobicContact CD2-CB 3.76Å; K3470-D3474 VanDerWaalsContact NZ-CG 3.33Å; K3470-D3474 IonicContact NZ-OD1 3.73Å; K3470-D3474 PolarHBondContact NZ-OD1 3.35Å; K3470-D3474 IonicContact NZ-OD2 3.32Å; K3470-D3474 PolarHBondContact NZ-OD2 3.08Å; K3470-D3474 VanDerWaalsContact O-CG 3.29Å; K3470-D3474 PolarHBondContact O-N 2.93Å; I3471-D3474 PolarHBondContact O-N 2.94Å; D3474-Y3478 WeakPolarHBondContact O-CB 3.42Å; D3474-Y3478 PolarHBondContact O-N 3.04Å |
| 3475 | L | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 174.4 | 174.8 | 61.6 | 0 | 0 | 0 | 112.9 | L3310 L3311 A3314 L3333 I3471 L3472 L3473 S3477 Y3478 L3479 | L3310-L3475 HydrophobicContact CB-CD1 4.19Å; L3310-L3475 HydrophobicContact CB-CD2 3.59Å; L3310-L3475 HydrophobicContact CD1-CD2 4.15Å; L3310-L3475 HydrophobicContact CG-CD2 4.47Å; L3311-L3475 HydrophobicContact CB-CB 4.26Å; L3311-L3475 HydrophobicContact CB-CD1 4.24Å; L3311-L3475 HydrophobicContact CD1-CB 4.39Å; L3311-L3475 HydrophobicContact CD1-CD1 4.45Å; A3314-L3475 HydrophobicContact CB-CD1 4.46Å; L3333-L3475 HydrophobicContact CD1-CB 4.43Å; L3333-L3475 HydrophobicContact CD1-CD2 3.56Å; L3333-L3475 HydrophobicContact CD1-CG 3.64Å; L3333-L3475 HydrophobicContact CD2-CD2 4.34Å; I3471-L3475 VanDerWaalsContact O-CB 3.29Å; I3471-L3475 WeakPolarHBondContact O-CB 3.3Å; I3471-L3475 PolarHBondContact O-N 2.82Å; L3472-L3475 WeakPolarHBondContact O-CB 3.18Å; L3472-L3475 PolarHBondContact O-N 3.31Å; L3473-L3475 VanDerWaalsContact C-N 3.32Å; L3473-L3475 PolarHBondContact O-N 3.31Å; L3475-S3477 VanDerWaalsContact C-N 3.34Å; L3475-S3477 PolarHBondContact O-N 3Å; L3475-Y3478 PolarHBondContact O-N 3.23Å; L3475-L3479 HydrophobicContact CD1-CD1 3.76Å; L3475-L3479 HydrophobicContact CD1-CG 4.02Å; L3475-L3479 HydrophobicContact CG-CD1 4.13Å; L3475-L3479 WeakPolarHBondContact O-CG 3.4Å; L3475-L3479 PolarHBondContact O-N 3.26Å |
| 3476 | L | 95 | Very high | 91.4 | Very high | 2.5 Ų | 2.5 | 18.3 Ų | 18.3 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 177.8 | -179.2 | 61.5 | 0 | 0 | 0 | 111.1 | P3330 L3333 I3334 M3337 L3472 L3473 Y3478 L3479 V3480 I3609 | P3330-L3476 HydrophobicContact CB-CD1 3.97Å; L3333-L3476 HydrophobicContact CB-CD1 4.33Å; L3333-L3476 HydrophobicContact CD1-CB 4.44Å; I3334-L3476 HydrophobicContact CD1-CD1 4.12Å; I3334-L3476 HydrophobicContact CG1-CD1 3.83Å; I3334-L3476 HydrophobicContact CG1-CD2 3.81Å; I3334-L3476 HydrophobicContact CG1-CG 4.43Å; M3337-L3476 HydrophobicContact SD-CD2 3.58Å; M3337-L3476 VanDerWaalsContact SD-CD2 3.58Å; L3472-L3476 WeakPolarHBondContact O-CB 3.31Å; L3472-L3476 PolarHBondContact O-N 3.16Å; L3473-L3476 PolarHBondContact O-N 3.06Å; L3476-Y3478 PolarHBondContact O-N 2.53Å; L3476-L3479 PolarHBondContact O-N 3.41Å; L3476-V3480 HydrophobicContact CD1-CG2 3.82Å; L3476-V3480 HydrophobicContact CG-CG2 4.33Å; L3476-V3480 WeakPolarHBondContact O-CB 3.27Å; L3476-V3480 VanDerWaalsContact O-CG2 3.3Å; L3476-V3480 WeakPolarHBondContact O-CG2 3.29Å; L3476-V3480 PolarHBondContact O-N 2.92Å; L3476-I3609 HydrophobicContact CB-CD1 4.48Å; L3476-I3609 HydrophobicContact CD2-CD1 4.16Å; L3476-I3609 HydrophobicContact CG-CD1 4.09Å |
| 3477 | S | 94.6 | Very high | 91.2 | Very high | 5.5 Ų | 5.5 | 19.9 Ų | 19.9 | 4% | 0.038 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 177.7 | -168 | 0 | 0 | 0 | 0 | 111.3 | L3473 L3475 L3479 R3481 P3605 | L3473-S3477 VanDerWaalsContact O-CB 3.22Å; L3473-S3477 WeakPolarHBondContact O-CB 3.33Å; L3473-S3477 PolarHBondContact O-N 2.67Å; L3475-S3477 VanDerWaalsContact C-N 3.34Å; L3475-S3477 PolarHBondContact O-N 3Å; S3477-L3479 PolarHBondContact O-N 3.23Å; S3477-R3481 VanDerWaalsContact O-CB 3.23Å; S3477-R3481 WeakPolarHBondContact O-CB 3.45Å; S3477-R3481 VanDerWaalsContact O-CD 3.27Å; S3477-R3481 WeakPolarHBondContact O-CD 3.39Å; S3477-R3481 WeakPolarHBondContact O-CG 3.2Å; S3477-R3481 PolarHBondContact O-N 3.48Å; S3477-R3481 VanDerWaalsContact OG-CD 3.27Å; S3477-R3481 WeakPolarHBondContact OG-CD 3.44Å; S3477-P3605 PolarHBondContact OG-O 2.84Å |
| 3478 | Y | 94.7 | Very high | 90.8 | Very high | 44 Ų | 44 | 26.1 Ų | 26.1 | 17% | 0.173 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 178.8 | -176.6 | -92.3 | 0 | 0 | 0 | 112.9 | A3314 N3315 C3321 D3474 L3475 L3476 S3482 V3565 | A3314-Y3478 HydrophobicContact CB-CD1 3.81Å; A3314-Y3478 HydrophobicContact CB-CE1 3.68Å; A3314-Y3478 VanDerWaalsContact O-CE1 3.26Å; A3314-Y3478 WeakPolarHBondContact O-CE1 3.38Å; A3314-Y3478 PolarHBondContact O-OH 3.34Å; N3315-Y3478 WeakPolarHBondContact OD1-CE2 3.31Å; N3315-Y3478 PolarHBondContact OD1-OH 3.03Å; C3321-Y3478 HydrophobicContact CB-CE1 4.31Å; D3474-Y3478 WeakPolarHBondContact O-CB 3.42Å; D3474-Y3478 PolarHBondContact O-N 3.04Å; L3475-Y3478 PolarHBondContact O-N 3.23Å; L3476-Y3478 PolarHBondContact O-N 2.53Å; Y3478-S3482 WeakPolarHBondContact O-CB 3.2Å; Y3478-S3482 PolarHBondContact O-N 3.31Å; Y3478-S3482 PolarHBondContact O-OG 3.35Å; Y3478-V3565 HydrophobicContact CD2-CG1 3.93Å; Y3478-V3565 HydrophobicContact CD2-CG2 4.42Å; Y3478-V3565 HydrophobicContact CE2-CG1 3.64Å |
| 3479 | L | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.8 | -47.3 | -178.8 | -67.7 | 174.6 | 0 | 0 | 0 | 112 | A3314 L3324 L3325 V3329 P3330 L3333 L3475 L3476 S3477 R3481 S3482 C3483 | A3314-L3479 HydrophobicContact CB-CD2 4.22Å; L3324-L3479 HydrophobicContact CB-CD2 4.12Å; L3324-L3479 HydrophobicContact CD1-CD2 4.37Å; L3325-L3479 HydrophobicContact CD2-CB 4.04Å; L3325-L3479 HydrophobicContact CD2-CD2 4.33Å; L3325-L3479 HydrophobicContact CG-CD2 4.41Å; V3329-L3479 HydrophobicContact CB-CD1 4.1Å; V3329-L3479 HydrophobicContact CG1-CD1 3.72Å; P3330-L3479 HydrophobicContact CG-CB 3.76Å; P3330-L3479 HydrophobicContact CG-CD1 4Å; L3333-L3479 HydrophobicContact CD1-CD1 4.38Å; L3475-L3479 HydrophobicContact CD1-CD1 3.76Å; L3475-L3479 HydrophobicContact CD1-CG 4.02Å; L3475-L3479 HydrophobicContact CG-CD1 4.13Å; L3475-L3479 WeakPolarHBondContact O-CG 3.4Å; L3475-L3479 PolarHBondContact O-N 3.26Å; L3476-L3479 PolarHBondContact O-N 3.41Å; S3477-L3479 PolarHBondContact O-N 3.23Å; L3479-R3481 PolarHBondContact O-N 3.44Å; L3479-S3482 WeakPolarHBondContact O-CB 3.21Å; L3479-S3482 PolarHBondContact O-N 2.97Å; L3479-C3483 PolarHBondContact O-SG 3.47Å |
| 3480 | V | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | -179.5 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | P3330 L3476 S3482 C3483 F3612 F3613 | P3330-V3480 HydrophobicContact CB-CG2 4.27Å; L3476-V3480 HydrophobicContact CD1-CG2 3.82Å; L3476-V3480 HydrophobicContact CG-CG2 4.33Å; L3476-V3480 WeakPolarHBondContact O-CB 3.27Å; L3476-V3480 VanDerWaalsContact O-CG2 3.3Å; L3476-V3480 WeakPolarHBondContact O-CG2 3.29Å; L3476-V3480 PolarHBondContact O-N 2.92Å; V3480-S3482 PolarHBondContact O-N 2.9Å; V3480-C3483 WeakPolarHBondContact O-CB 3.4Å; V3480-C3483 PolarHBondContact O-N 3.01Å; V3480-C3483 VanDerWaalsContact O-N 3.1Å; V3480-F3612 HydrophobicContact CG1-CD1 4.02Å; V3480-F3612 HydrophobicContact CG1-CE1 4.01Å; V3480-F3613 HydrophobicContact CG1-CE2 3.54Å; V3480-F3613 HydrophobicContact CG1-CZ 3.61Å |
| 3481 | R | 93.1 | Very high | 88.6 | Confident | 39.5 Ų | 39.5 | 32.2 Ų | 32.2 | 15% | 0.149 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -1.3 | -179.8 | -63.5 | 167.3 | 53.8 | -172 | 3.3 | 114.3 | S3477 L3479 Y3563 C3564 V3565 D3608 F3612 | S3477-R3481 VanDerWaalsContact O-CB 3.23Å; S3477-R3481 WeakPolarHBondContact O-CB 3.45Å; S3477-R3481 VanDerWaalsContact O-CD 3.27Å; S3477-R3481 WeakPolarHBondContact O-CD 3.39Å; S3477-R3481 WeakPolarHBondContact O-CG 3.2Å; S3477-R3481 PolarHBondContact O-N 3.48Å; S3477-R3481 VanDerWaalsContact OG-CD 3.27Å; S3477-R3481 WeakPolarHBondContact OG-CD 3.44Å; L3479-R3481 PolarHBondContact O-N 3.44Å; R3481-Y3563 VanDerWaalsContact CZ-O 3.31Å; R3481-Y3563 PolarHBondContact NE-O 3.14Å; R3481-Y3563 PolarHBondContact NH2-O 3.11Å; R3481-C3564 WeakPolarHBondContact O-CA 3.41Å; R3481-V3565 HydrophobicContact CB-CB 4.42Å; R3481-V3565 HydrophobicContact CB-CG2 3.66Å; R3481-V3565 PolarHBondContact O-N 3.06Å; R3481-D3608 IonicContact CZ-OD2 3.57Å; R3481-D3608 VanDerWaalsContact NH1-CB 3.32Å; R3481-D3608 IonicContact NH1-OD2 2.77Å; R3481-D3608 PolarHBondContact NH1-OD2 3.18Å; R3481-F3612 HydrophobicContact CB-CD2 4.47Å; R3481-F3612 HydrophobicContact CG-CB 4.04Å; R3481-F3612 HydrophobicContact CG-CD2 4.2Å; R3481-F3612 HydrophobicContact CG-CG 4.02Å |
| 3482 | S | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -5.6 | 169.1 | -64 | 0 | 0 | 0 | 0 | 112.7 | Y3478 L3479 V3480 L3570 | Y3478-S3482 WeakPolarHBondContact O-CB 3.2Å; Y3478-S3482 PolarHBondContact O-N 3.31Å; Y3478-S3482 PolarHBondContact O-OG 3.35Å; L3479-S3482 WeakPolarHBondContact O-CB 3.21Å; L3479-S3482 PolarHBondContact O-N 2.97Å; V3480-S3482 PolarHBondContact O-N 2.9Å; S3482-L3570 WeakPolarHBondContact O-CB 3.27Å; S3482-L3570 PolarHBondContact O-N 2.93Å |
| 3483 | C | 90.9 | Very high | 84.4 | Confident | 3.5 Ų | 3.5 | 41 Ų | 41 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 163.1 | -179.3 | -62.1 | 0 | 0 | 0 | 0 | 113.3 | L3479 V3480 V3571 L3573 F3612 | L3479-C3483 PolarHBondContact O-SG 3.47Å; V3480-C3483 WeakPolarHBondContact O-CB 3.4Å; V3480-C3483 PolarHBondContact O-N 3.01Å; V3480-C3483 VanDerWaalsContact O-N 3.1Å; C3483-V3571 CarbonylContact C-O 3.59Å; C3483-V3571 WeakPolarHBondContact CA-O 3.12Å; C3483-V3571 WeakPolarHBondContact CB-O 3.35Å; C3483-L3573 HydrophobicContact CB-CD1 3.48Å; C3483-L3573 VanDerWaalsContact CB-CD1 3.48Å; C3483-L3573 HydrophobicContact CB-CD2 3.56Å; C3483-L3573 HydrophobicContact CB-CG 3.86Å; C3483-F3612 WeakPolarHBondContact O-CZ 3.29Å |
| 3484 | E | 88.2 | Confident | 81.8 | Confident | 102.5 Ų | 102.5 | 46.9 Ų | 46.9 | 48% | 0.479 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.4 | 169.9 | -165.6 | 167.6 | -166.7 | 0 | 0 | 111.4 | P3486 P3569 V3571 T3572 L3573 | E3484-P3486 WeakPolarHBondContact O-CD 3.45Å; E3484-P3569 HydrophobicContact CB-CB 3.64Å; E3484-P3569 HydrophobicContact CB-CG 3.74Å; E3484-P3569 HydrophobicContact CG-CB 4.38Å; E3484-P3569 HydrophobicContact CG-CG 3.99Å; E3484-P3569 WeakPolarHBondContact OE2-CG 3.39Å; E3484-V3571 PolarHBondContact N-O 3.41Å; E3484-T3572 HydrophobicContact CB-CG2 4.39Å; E3484-L3573 VanDerWaalsContact C-CD1 3.48Å; E3484-L3573 WeakPolarHBondContact O-CD1 3.3Å; E3484-L3573 PolarHBondContact O-N 3.25Å |
| 3485 | I | 87.2 | Confident | 79 | Confident | 12.5 Ų | 12.5 | 53.6 Ų | 53.6 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 123.4 | 170.4 | -59.1 | 173.1 | 0 | 0 | 0 | 108.4 | S3487 L3490 L3573 F3582 F3612 F3613 | I3485-S3487 PolarHBondContact O-N 3.09Å; I3485-L3490 HydrophobicContact CB-CD1 4.45Å; I3485-L3490 HydrophobicContact CB-CD2 4.44Å; I3485-L3490 HydrophobicContact CG2-CD1 4.38Å; I3485-L3490 HydrophobicContact CG2-CD2 3.9Å; I3485-L3490 HydrophobicContact CG2-CG 4.11Å; I3485-L3573 HydrophobicContact CB-CD1 4.49Å; I3485-L3573 HydrophobicContact CG1-CD1 3.92Å; I3485-F3582 HydrophobicContact CG2-CE2 4.12Å; I3485-F3582 HydrophobicContact CG2-CZ 3.86Å; I3485-F3612 HydrophobicContact CD1-CD1 4.17Å; I3485-F3612 HydrophobicContact CD1-CE1 3.74Å; I3485-F3612 HydrophobicContact CD1-CE2 4.48Å; I3485-F3612 HydrophobicContact CD1-CZ 3.92Å; I3485-F3612 HydrophobicContact CG1-CE1 3.76Å; I3485-F3612 HydrophobicContact CG1-CZ 3.74Å; I3485-F3613 HydrophobicContact CD1-CD1 4.02Å |
| 3486 | P | 84.2 | Confident | 75.8 | Confident | 29.5 Ų | 29.5 | 62.3 Ų | 62.3 | 19% | 0.192 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 133.3 | 176.5 | -25.2 | 34.6 | 0 | 0 | 0 | 112 | E3484 H3488 Y3489 V3578 | E3484-P3486 WeakPolarHBondContact O-CD 3.45Å; P3486-H3488 VanDerWaalsContact CB-CE1 3.48Å; P3486-H3488 WeakPolarHBondContact CB-CE1 3.29Å; P3486-H3488 WeakPolarHBondContact CB-ND1 3.33Å; P3486-H3488 PolarHBondContact O-N 3.24Å; P3486-Y3489 HydrophobicContact CB-CD2 4.03Å; P3486-Y3489 HydrophobicContact CB-CE2 4.36Å; P3486-Y3489 HydrophobicContact CG-CD2 4.27Å; P3486-Y3489 HydrophobicContact CG-CE2 4.41Å; P3486-Y3489 PolarHBondContact O-N 3.35Å; P3486-V3578 HydrophobicContact CG-CG2 4.37Å |
| 3487 | S | 79 | Confident | 72.8 | Confident | 87 Ų | 87 | 66.8 Ų | 66.8 | 61% | 0.608 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -61.4 | -19.6 | -169.7 | 57.7 | 0 | 0 | 0 | 0 | 115 | I3485 Y3489 L3490 | I3485-S3487 PolarHBondContact O-N 3.09Å; S3487-Y3489 VanDerWaalsContact C-N 3.27Å; S3487-Y3489 PolarHBondContact O-N 2.85Å; S3487-L3490 PolarHBondContact O-N 3.19Å; S3487-L3490 VanDerWaalsContact O-N 3.12Å |
| 3488 | H | 79.6 | Confident | 69.7 | Low | 131 Ų | 131 | 72.5 Ų | 72.5 | 61% | 0.606 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -76.5 | -6.9 | 176.4 | 67.5 | -84.4 | 0 | 0 | 0 | 114.2 | P3486 | P3486-H3488 VanDerWaalsContact CB-CE1 3.48Å; P3486-H3488 WeakPolarHBondContact CB-CE1 3.29Å; P3486-H3488 WeakPolarHBondContact CB-ND1 3.33Å; P3486-H3488 PolarHBondContact O-N 3.24Å |
| 3489 | Y | 77.2 | Confident | 66.6 | Low | 74.5 Ų | 74.5 | 74.7 Ų | 74.7 | 29% | 0.292 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -97.7 | -0.8 | 168 | -63.1 | -65.3 | 0 | 0 | 0 | 113 | P3486 S3487 V3578 F3582 N3617 | P3486-Y3489 HydrophobicContact CB-CD2 4.03Å; P3486-Y3489 HydrophobicContact CB-CE2 4.36Å; P3486-Y3489 HydrophobicContact CG-CD2 4.27Å; P3486-Y3489 HydrophobicContact CG-CE2 4.41Å; P3486-Y3489 PolarHBondContact O-N 3.35Å; S3487-Y3489 VanDerWaalsContact C-N 3.27Å; S3487-Y3489 PolarHBondContact O-N 2.85Å; Y3489-V3578 HydrophobicContact CD2-CG1 4.04Å; Y3489-V3578 HydrophobicContact CE1-CG1 3.96Å; Y3489-V3578 HydrophobicContact CE2-CB 4.37Å; Y3489-V3578 HydrophobicContact CE2-CG1 3.34Å; Y3489-V3578 HydrophobicContact CE2-CG2 4.1Å; Y3489-V3578 VanDerWaalsContact OH-CG1 3.22Å; Y3489-V3578 WeakPolarHBondContact OH-CG1 3.43Å; Y3489-F3582 HydrophobicContact CD1-CB 4.15Å; Y3489-F3582 HydrophobicContact CD1-CD2 4.14Å; Y3489-F3582 HydrophobicContact CD1-CG 4.13Å; Y3489-F3582 AromaticContact CD2-CD2 3.61Å; Y3489-F3582 HydrophobicContact CD2-CD2 3.97Å; Y3489-F3582 AromaticContact CD2-CE2 3.71Å; Y3489-F3582 HydrophobicContact CD2-CE2 4.08Å; Y3489-F3582 HydrophobicContact CD2-CG 4.43Å; Y3489-F3582 HydrophobicContact CE1-CB 4.16Å; Y3489-F3582 HydrophobicContact CE1-CD2 4.29Å; Y3489-F3582 HydrophobicContact CE1-CG 4.36Å; Y3489-F3582 AromaticContact CE2-CD2 3.8Å; Y3489-F3582 HydrophobicContact CE2-CD2 3.8Å; Y3489-F3582 HydrophobicContact CE2-CE2 4.27Å; Y3489-F3582 AromaticContact CG-CD2 3.77Å; Y3489-F3582 HydrophobicContact CG-CD2 3.91Å; Y3489-F3582 AromaticContact CG-CE2 3.95Å; Y3489-F3582 HydrophobicContact CG-CE2 4.11Å; Y3489-F3582 HydrophobicContact CG-CG 4.26Å; Y3489-F3582 HydrophobicContact CG-CZ 4.5Å; Y3489-N3617 PolarHBondContact O-ND2 3.22Å |
| 3490 | L | 77 | Confident | 63.6 | Low | 32 Ų | 32 | 80.8 Ų | 80.8 | 17% | 0.168 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -105.5 | 121.6 | 179.4 | -59.2 | 177.4 | 0 | 0 | 0 | 109.4 | I3485 S3487 F3492 | I3485-L3490 HydrophobicContact CB-CD1 4.45Å; I3485-L3490 HydrophobicContact CB-CD2 4.44Å; I3485-L3490 HydrophobicContact CG2-CD1 4.38Å; I3485-L3490 HydrophobicContact CG2-CD2 3.9Å; I3485-L3490 HydrophobicContact CG2-CG 4.11Å; S3487-L3490 PolarHBondContact O-N 3.19Å; S3487-L3490 VanDerWaalsContact O-N 3.12Å; L3490-F3492 HydrophobicContact CB-CD2 4.18Å; L3490-F3492 HydrophobicContact CB-CE2 3.75Å; L3490-F3492 HydrophobicContact CB-CZ 4.18Å; L3490-F3492 HydrophobicContact CD1-CE2 3.73Å; L3490-F3492 HydrophobicContact CD1-CZ 4.09Å; L3490-F3492 HydrophobicContact CG-CE2 4.26Å; L3490-F3492 HydrophobicContact CG-CZ 4.48Å; L3490-F3492 PolarHBondContact O-N 3.11Å |
| 3491 | N | 67.6 | Low | 60.8 | Low | 67.5 Ų | 67.5 | 86.2 Ų | 86.2 | 36% | 0.361 | 48% | 0.483 | S | S | . | . | trans | -84.8 | 64.6 | -174.4 | -74 | -15.1 | 0 | 0 | 0 | 111.2 | E3616 N3619 | N3491-E3616 PolarHBondContact N-O 3.39Å; N3491-N3619 PolarHBondContact ND2-ND2 3.4Å | ||
| 3492 | F | 57.4 | Low | 57.9 | Low | 107 Ų | 107 | 90 Ų | 90 | 47% | 0.469 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 130.2 | 174.4 | -65.3 | -72 | 0 | 0 | 0 | 110.8 | L3490 | L3490-F3492 HydrophobicContact CB-CD2 4.18Å; L3490-F3492 HydrophobicContact CB-CE2 3.75Å; L3490-F3492 HydrophobicContact CB-CZ 4.18Å; L3490-F3492 HydrophobicContact CD1-CE2 3.73Å; L3490-F3492 HydrophobicContact CD1-CZ 4.09Å; L3490-F3492 HydrophobicContact CG-CE2 4.26Å; L3490-F3492 HydrophobicContact CG-CZ 4.48Å; L3490-F3492 PolarHBondContact O-N 3.11Å |
| 3493 | P | 43.5 | Very low | 54.9 | Low | 81.5 Ų | 81.5 | 98.1 Ų | 98.1 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 140.7 | 177.2 | 23.2 | -31.6 | 0 | 0 | 0 | 110.9 | R3495 | P3493-R3495 PolarHBondContact O-N 3.2Å; P3493-R3495 VanDerWaalsContact O-N 3.13Å |
| 3494 | P | 39.5 | Very low | 52.1 | Low | 125.5 Ų | 125.5 | 103.2 Ų | 103.2 | 82% | 0.815 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 121.2 | -178.7 | 25.6 | -31.9 | 0 | 0 | 0 | 110.2 | L3496 | P3494-L3496 PolarHBondContact O-N 3.1Š|
| 3495 | R | 34.6 | Very low | 49.2 | Very low | 181 Ų | 181 | 103.2 Ų | 103.2 | 68% | 0.683 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 126 | 179.5 | -70.9 | -178 | 174 | -144.4 | -3.7 | 110.8 | P3493 S3497 N3558 | P3493-R3495 PolarHBondContact O-N 3.2Å; P3493-R3495 VanDerWaalsContact O-N 3.13Å; R3495-S3497 PolarHBondContact O-N 2.85Å; R3495-N3558 PolarHBondContact NH2-OD1 3.09Å |
| 3496 | L | 29.7 | Very low | 46.4 | Very low | 182 Ų | 182 | 108.5 Ų | 108.5 | 95% | 0.953 | 64% | 0.635 | S | S | * | * | trans | -65.3 | 84.3 | 165.2 | -85.1 | 152.1 | 0 | 0 | 0 | 109.9 | P3494 S3498 | P3494-L3496 PolarHBondContact O-N 3.1Å; L3496-S3498 PolarHBondContact O-N 3.18Å | ||
| 3497 | S | 32.1 | Very low | 43.8 | Very low | 97 Ų | 97 | 113 Ų | 113 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | trans | -78.7 | 112.3 | 170.3 | 61 | 0 | 0 | 0 | 0 | 109.9 | R3495 S3499 | R3495-S3497 PolarHBondContact O-N 2.85Å; S3497-S3499 PolarHBondContact O-N 3.37Å; S3497-S3499 VanDerWaalsContact O-N 3.11Å | ||
| 3498 | S | 28.4 | Very low | 41.3 | Very low | 124.5 Ų | 124.5 | 114.3 Ų | 114.3 | 87% | 0.871 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -65.1 | 95.3 | 174.5 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | L3496 | L3496-S3498 PolarHBondContact O-N 3.18Š|
| 3499 | S | 30.8 | Very low | 38.9 | Very low | 91.5 Ų | 91.5 | 113.3 Ų | 113.3 | 64% | 0.64 | 68% | 0.68 | S | S | * | * | trans | -158.5 | 121 | 159.7 | 52.6 | 0 | 0 | 0 | 0 | 110 | S3497 | S3497-S3499 PolarHBondContact O-N 3.37Å; S3497-S3499 VanDerWaalsContact O-N 3.11Å | ||
| 3500 | P | 31.6 | Very low | 36.5 | Very low | 126.5 Ų | 126.5 | 113.9 Ų | 113.9 | 82% | 0.821 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 137.8 | -178 | 31.2 | -32.4 | 0 | 0 | 0 | 111.4 | ||
| 3501 | P | 33.9 | Very low | 34.2 | Very low | 114.5 Ų | 114.5 | 119.7 Ų | 119.7 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 149.2 | 169.9 | 32.9 | -31.9 | 0 | 0 | 0 | 111 | ||
| 3502 | P | 31.9 | Very low | 32.1 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -78 | 147.5 | 177.3 | 32.2 | -33.3 | 0 | 0 | 0 | 112.4 | ||
| 3503 | L | 28.5 | Very low | 30.6 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | trans | -26.4 | 127.7 | 167.9 | -71.4 | 84.9 | 0 | 0 | 0 | 116.3 | ||||
| 3504 | S | 32.2 | Very low | 30 | Very low | 111.5 Ų | 111.5 | 129.2 Ų | 129.2 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | -169.3 | 134.6 | 120 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 3505 | S | 28.1 | Very low | 29.4 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -26.4 | 141.5 | 161.2 | 51.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3506 | T | 28.4 | Very low | 29.1 | Very low | 123.5 Ų | 123.5 | 126.2 Ų | 126.2 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | 168.3 | 138.5 | 57.6 | 33.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 3507 | T | 27.9 | Very low | 28.9 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | 116.6 | 131.6 | 70.1 | 30.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 3508 | S | 28 | Very low | 28.8 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 122.4 | 139.8 | 147.7 | -20.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 3509 | S | 28.2 | Very low | 28.7 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | -88.3 | 155.2 | 75.8 | 46.3 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 3510 | A | 26.3 | Very low | 28.5 | Very low | 86.5 Ų | 86.5 | 131.8 Ų | 131.8 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | trans | 32.4 | 155 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 3511 | I | 29.2 | Very low | 28.2 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | 165.5 | 115 | 98.3 | -59 | 162.1 | 0 | 0 | 0 | 113.7 | Y3513 | I3511-Y3513 HydrophobicContact CG2-CD2 3.96Å; I3511-Y3513 HydrophobicContact CG2-CE2 4.25Å | |||
| 3512 | C | 24.1 | Very low | 27.9 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 142.6 | 137.1 | 114.5 | -131.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 3513 | Y | 26.7 | Very low | 27.7 | Very low | 211 Ų | 211 | 134.5 Ų | 134.5 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -93.6 | 165 | 171.5 | -77.7 | -73 | 0 | 0 | 0 | 112.3 | I3511 | I3511-Y3513 HydrophobicContact CG2-CD2 3.96Å; I3511-Y3513 HydrophobicContact CG2-CE2 4.25Å | ||
| 3514 | P | 30.4 | Very low | 27.6 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -131.7 | 155.3 | -176.9 | 23.1 | -1.5 | 0 | 0 | 0 | 115.2 | ||||
| 3515 | L | 25.9 | Very low | 27.4 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 150 | 170.4 | -108.2 | 80.6 | 0 | 0 | 0 | 112.7 | ||||
| 3516 | A | 28 | Very low | 27.5 | Very low | 83 Ų | 83 | 144.6 Ų | 144.6 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | 145.2 | 119.2 | 142.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 3517 | K | 26.2 | Very low | 27.4 | Very low | 154.5 Ų | 154.5 | 145.9 Ų | 145.9 | 67% | 0.672 | 80% | 0.796 | S | S | * | * | 61.8 | 113.9 | 108.7 | -72.9 | -172.4 | 176.1 | -171.2 | 0 | 116.8 | Y3810 | K3517-Y3810 PolarHBondContact NZ-OH 3.38Š| |||
| 3518 | T | 29.1 | Very low | 27.5 | Very low | 149 Ų | 149 | 148.9 Ų | 148.9 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -147.3 | 139.9 | 135.4 | 3.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3519 | E | 27.5 | Very low | 27.5 | Very low | 167.5 Ų | 167.5 | 150.6 Ų | 150.6 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -92.2 | 159 | -179.5 | -70.5 | 168.1 | 145.2 | 0 | 0 | 111.9 | ||||
| 3520 | D | 26.6 | Very low | 27.5 | Very low | 141.5 Ų | 141.5 | 152.1 Ų | 152.1 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | 73.6 | 128.9 | 149.8 | -86.2 | -1.8 | 0 | 0 | 0 | 122.7 | ||||
| 3521 | Q | 25.6 | Very low | 27.7 | Very low | 170.5 Ų | 170.5 | 155.7 Ų | 155.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 67.8 | 103.8 | 155.3 | -55 | -169.3 | 43.8 | 0 | 0 | 118.7 | ||||
| 3522 | V | 28 | Very low | 27.5 | Very low | 134.5 Ų | 134.5 | 159.8 Ų | 159.8 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | -167.3 | 101.8 | 107.1 | 167 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 3523 | S | 27.2 | Very low | 27.7 | Very low | 112.5 Ų | 112.5 | 159.9 Ų | 159.9 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | trans | -133.5 | 140.8 | 141.7 | -82.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 3524 | R | 25.7 | Very low | 27.6 | Very low | 233 Ų | 233 | 158.7 Ų | 158.7 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | 151.6 | 136.8 | 167.7 | -72.1 | -179.2 | -175.3 | 165.6 | 2.2 | 113.4 | ||||
| 3525 | K | 27.2 | Very low | 27.9 | Very low | 199 Ų | 199 | 157.4 Ų | 157.4 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | 88.3 | 118 | 179.8 | -57.7 | 171.3 | 178.8 | 176.9 | 0 | 110.3 | ||||
| 3526 | I | 31.2 | Very low | 28.1 | Very low | 163.5 Ų | 163.5 | 159.2 Ų | 159.2 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | -137.2 | 132.1 | 54.1 | -75.3 | 159 | 0 | 0 | 0 | 111.5 | |||||
| 3527 | N | 25.8 | Very low | 28.1 | Very low | 149 Ų | 149 | 158.8 Ų | 158.8 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -100.5 | 147.3 | 165.7 | -88.7 | -16.9 | 0 | 0 | 0 | 109.5 | ||||
| 3528 | K | 29.8 | Very low | 28.2 | Very low | 188 Ų | 188 | 156.2 Ų | 156.2 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | trans | 141.7 | 111.2 | 161.7 | -80.3 | 164.6 | 178.8 | -178 | 0 | 109.4 | ||||
| 3529 | I | 29.4 | Very low | 28 | Very low | 151.5 Ų | 151.5 | 154.7 Ų | 154.7 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | 148.7 | 125.5 | 66.7 | -74.8 | 162.2 | 0 | 0 | 0 | 109.2 | |||||
| 3530 | E | 28.6 | Very low | 28.4 | Very low | 142 Ų | 142 | 152 Ų | 152 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | trans | 75.2 | 133.2 | 141.2 | -62.3 | -154.5 | 156.2 | 0 | 0 | 114 | ||||
| 3531 | K | 29.4 | Very low | 28.5 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 70% | 0.7 | 80% | 0.799 | S | S | * | * | cis | -164.8 | 158 | 1.9 | -113.3 | 165.5 | -173.4 | 149.7 | 0 | 108.2 | ||||
| 3532 | R | 25.2 | Very low | 28.7 | Very low | 240 Ų | 240 | 151.5 Ų | 151.5 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -10.1 | 131.7 | 162.2 | -74.3 | 173.7 | 163.8 | 178.6 | -7 | 115.5 | ||||
| 3533 | S | 28.8 | Very low | 28.7 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | -171.8 | 124.2 | 116.3 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 3534 | E | 24.6 | Very low | 28.7 | Very low | 187.5 Ų | 187.5 | 152.5 Ų | 152.5 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | -103.8 | 174 | 169.5 | -107.2 | -167.3 | -164.6 | 0 | 0 | 110 | ||||
| 3535 | P | 36.2 | Very low | 28.8 | Very low | 95 Ų | 95 | 146.2 Ų | 146.2 | 62% | 0.617 | 78% | 0.784 | S | S | * | * | -117.8 | 170.8 | -73 | 39.6 | -28 | 0 | 0 | 0 | 113.6 | |||||
| 3536 | H | 30.9 | Very low | 28.7 | Very low | 198.5 Ų | 198.5 | 141.3 Ų | 141.3 | 92% | 0.919 | 78% | 0.775 | S | S | * | * | trans | -166.9 | 145.9 | 144.4 | -82.9 | -64.3 | 0 | 0 | 0 | 108.1 | ||||
| 3537 | G | 26.6 | Very low | 28.6 | Very low | 74.5 Ų | 74.5 | 140.9 Ų | 140.9 | 77% | 0.768 | 77% | 0.773 | S | S | * | * | 157.8 | 148.4 | 103.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 3538 | A | 29.3 | Very low | 28.7 | Very low | 99.5 Ų | 99.5 | 139 Ų | 139 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | 133.1 | 125 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3539 | C | 25.4 | Very low | 28.6 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | 8.5 | 151.9 | 92.7 | -97.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 3540 | P | 35.3 | Very low | 28.7 | Very low | 110.5 Ų | 110.5 | 135.4 Ų | 135.4 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | cis | -148 | -172.4 | 24.5 | 35.7 | -13.2 | 0 | 0 | 0 | 115 | ||||
| 3541 | I | 28.2 | Very low | 28.6 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 58.4 | 135.8 | 146.2 | -48.2 | 170.6 | 0 | 0 | 0 | 117.5 | ||||
| 3542 | I | 30.1 | Very low | 28.6 | Very low | 153 Ų | 153 | 135 Ų | 135 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | 152.7 | 152.7 | 77.1 | -86 | 174.5 | 0 | 0 | 0 | 112.8 | |||||
| 3543 | S | 27.3 | Very low | 28.7 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | -119.1 | 166.8 | 100.1 | 41.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 3544 | E | 27.5 | Very low | 28.6 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | -67.3 | 140.6 | 87.2 | -61.2 | -178.8 | 139.9 | 0 | 0 | 119.8 | |||||
| 3545 | S | 27.3 | Very low | 28.7 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 55.3 | 137.1 | 134.6 | 69.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 3546 | S | 26 | Very low | 28.3 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | 139 | 147.4 | 61.9 | 67.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 3547 | L | 29.4 | Very low | 28.3 | Very low | 155 Ų | 155 | 124.4 Ų | 124.4 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | 74.9 | 131.8 | 161.4 | -58.4 | 165.1 | 0 | 0 | 0 | 116.7 | ||||
| 3548 | T | 27.6 | Very low | 29 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | cis | -150.6 | 172 | -17.9 | 41.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3549 | D | 27.3 | Very low | 30.4 | Very low | 132.5 Ų | 132.5 | 128.7 Ų | 128.7 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | 136.8 | 152.6 | 85.4 | -99.8 | -52.1 | 0 | 0 | 0 | 116.4 | |||||
| 3550 | T | 31.2 | Very low | 32.6 | Very low | 132.5 Ų | 132.5 | 130.6 Ų | 130.6 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | -114 | 134.5 | 139.6 | 28.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3551 | Q | 26.4 | Very low | 34.9 | Very low | 191.5 Ų | 191.5 | 126.4 Ų | 126.4 | 90% | 0.895 | 71% | 0.709 | S | S | * | * | trans | -30 | 125.2 | 164.6 | -62.6 | 171.3 | -17.5 | 0 | 0 | 116.4 | ||||
| 3552 | A | 29.7 | Very low | 37.6 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 84% | 0.843 | 70% | 0.699 | S | S | * | * | trans | -146.6 | 130.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3553 | N | 28 | Very low | 40.3 | Very low | 153.5 Ų | 153.5 | 118.3 Ų | 118.3 | 82% | 0.821 | 67% | 0.67 | S | S | * | * | trans | -67 | 142.7 | -168.8 | -69.5 | -36.5 | 0 | 0 | 0 | 116.7 | I3555 | N3553-I3555 PolarHBondContact O-N 3.3Š| ||
| 3554 | S | 26.1 | Very low | 43.1 | Very low | 111.5 Ų | 111.5 | 115.5 Ų | 115.5 | 78% | 0.78 | 65% | 0.65 | S | S | * | * | trans | -24.2 | 116.4 | 157.5 | 55.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 3555 | I | 27.6 | Very low | 45.8 | Very low | 146 Ų | 146 | 109.9 Ų | 109.9 | 75% | 0.749 | 63% | 0.628 | S | S | * | * | trans | -136.5 | 114.3 | 154.7 | -60.1 | -179.4 | 0 | 0 | 0 | 109.3 | N3553 | N3553-I3555 PolarHBondContact O-N 3.3Š| ||
| 3556 | S | 27.2 | Very low | 48.1 | Very low | 88.5 Ų | 88.5 | 106 Ų | 106 | 62% | 0.619 | 60% | 0.599 | S | S | * | * | trans | -33.7 | 117.7 | 168.3 | 60.4 | 0 | 0 | 0 | 0 | 115.6 | N3558 | S3556-N3558 PolarHBondContact O-N 3.47Š| ||
| 3557 | T | 30.7 | Very low | 50.3 | Low | 122 Ų | 122 | 105.6 Ų | 105.6 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | trans | 84.2 | 92.2 | 139.9 | 48.1 | 0 | 0 | 0 | 0 | 114.7 | Q3559 | T3557-Q3559 PolarHBondContact O-N 2.84Š| ||
| 3558 | N | 42.2 | Very low | 52.6 | Low | 133.5 Ų | 133.5 | 101.5 Ų | 101.5 | 71% | 0.714 | 58% | 0.579 | S | S | * | * | trans | -93.7 | 105 | 149.5 | -84.9 | -0.7 | 0 | 0 | 0 | 107.1 | R3495 S3556 R3560 | R3495-N3558 PolarHBondContact NH2-OD1 3.09Å; S3556-N3558 PolarHBondContact O-N 3.47Å; N3558-R3560 PolarHBondContact O-N 2.86Å | ||
| 3559 | Q | 57.3 | Low | 55 | Low | 131 Ų | 131 | 98.5 Ų | 98.5 | 61% | 0.612 | 56% | 0.561 | S | S | * | * | trans | -69.1 | 124.5 | 171.4 | -77.9 | 177.1 | -61.9 | 0 | 0 | 109.2 | T3557 Y3615 | T3557-Q3559 PolarHBondContact O-N 2.84Å; Q3559-Y3615 WeakPolarHBondContact CB-OH 3.36Å | ||
| 3560 | R | 71.7 | Confident | 57.7 | Low | 159.5 Ų | 159.5 | 94 Ų | 94 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | trans | -78.3 | 141.5 | 177.6 | -120.7 | -172.8 | -173.1 | 153.9 | 14.5 | 109.6 | N3558 P3562 S3567 T3568 | N3558-R3560 PolarHBondContact O-N 2.86Å; R3560-P3562 VanDerWaalsContact O-CD 3.3Å; R3560-P3562 WeakPolarHBondContact O-CD 3.38Å; R3560-P3562 VanDerWaalsContact O-N 3.13Å; R3560-S3567 VanDerWaalsContact NH1-C 3.26Å; R3560-S3567 PolarHBondContact NH1-O 3.28Å; R3560-S3567 PolarHBondContact NH2-O 3Å; R3560-T3568 VanDerWaalsContact NH2-CA 3.27Å | ||
| 3561 | N | 84.7 | Confident | 60.2 | Low | 22 Ų | 22 | 90.3 Ų | 90.3 | 12% | 0.118 | 51% | 0.514 | C | S | . | . | trans | -54.4 | 114.5 | 173.6 | -174.1 | -27.6 | 0 | 0 | 0 | 110.3 | Y3563 C3564 F3612 Y3615 | N3561-Y3563 PolarHBondContact O-N 3.04Å; N3561-Y3563 WeakPolarHBondContact OD1-CB 3.3Å; N3561-Y3563 WeakPolarHBondContact OD1-CD2 3.07Å; N3561-Y3563 PolarHBondContact OD1-N 3.39Å; N3561-C3564 PolarHBondContact O-N 2.75Å; N3561-F3612 PolarHBondContact ND2-O 3.42Å; N3561-Y3615 HydrophobicContact CB-CD1 3.75Å; N3561-Y3615 HydrophobicContact CB-CE1 4.14Å; N3561-Y3615 HydrophobicContact CB-CG 4.3Å | ||
| 3562 | P | 85.1 | Confident | 63.1 | Low | 83 Ų | 83 | 85.3 Ų | 85.3 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -12.6 | -173.6 | 29.7 | -34.6 | 0 | 0 | 0 | 112.7 | R3560 C3564 Y3615 | R3560-P3562 VanDerWaalsContact O-CD 3.3Å; R3560-P3562 WeakPolarHBondContact O-CD 3.38Å; R3560-P3562 VanDerWaalsContact O-N 3.13Å; P3562-C3564 VanDerWaalsContact C-N 3.34Å; P3562-Y3615 VanDerWaalsContact CD-CD2 3.46Å; P3562-Y3615 HydrophobicContact CG-CD2 4.08Å; P3562-Y3615 HydrophobicContact CG-CE2 3.97Å |
| 3563 | Y | 86.6 | Confident | 65.8 | Low | 46 Ų | 46 | 80.7 Ų | 80.7 | 18% | 0.18 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -5 | 177.7 | -58.9 | -81.3 | 0 | 0 | 0 | 112.9 | R3481 N3561 V3565 L3611 L3651 | R3481-Y3563 VanDerWaalsContact CZ-O 3.31Å; R3481-Y3563 PolarHBondContact NE-O 3.14Å; R3481-Y3563 PolarHBondContact NH2-O 3.11Å; N3561-Y3563 PolarHBondContact O-N 3.04Å; N3561-Y3563 WeakPolarHBondContact OD1-CB 3.3Å; N3561-Y3563 WeakPolarHBondContact OD1-CD2 3.07Å; N3561-Y3563 PolarHBondContact OD1-N 3.39Å; Y3563-V3565 PolarHBondContact O-N 3.17Å; Y3563-L3611 HydrophobicContact CD1-CB 3.9Å; Y3563-L3611 HydrophobicContact CD1-CD1 4.37Å; Y3563-L3611 HydrophobicContact CD2-CB 4Å; Y3563-L3611 HydrophobicContact CE1-CB 3.63Å; Y3563-L3611 HydrophobicContact CE1-CD1 3.56Å; Y3563-L3611 HydrophobicContact CE1-CG 4.2Å; Y3563-L3611 HydrophobicContact CE2-CB 3.75Å; Y3563-L3611 HydrophobicContact CG-CB 4.09Å; Y3563-L3651 HydrophobicContact CE2-CD1 4.44Å; Y3563-L3651 HydrophobicContact CE2-CD2 3.93Å; Y3563-L3651 HydrophobicContact CE2-CG 4.05Å |
| 3564 | C | 86.4 | Confident | 68.5 | Low | 35 Ų | 35 | 74.7 Ų | 74.7 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | trans | -59 | 131.8 | 170.4 | -74 | 0 | 0 | 0 | 0 | 111.4 | R3481 N3561 P3562 T3566 | R3481-C3564 WeakPolarHBondContact O-CA 3.41Å; N3561-C3564 PolarHBondContact O-N 2.75Å; P3562-C3564 VanDerWaalsContact C-N 3.34Å; C3564-T3566 VanDerWaalsContact C-N 3.35Å | ||
| 3565 | V | 83.9 | Confident | 71.2 | Confident | 57 Ų | 57 | 75.7 Ų | 75.7 | 35% | 0.345 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -73.9 | -30.9 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | Y3478 R3481 Y3563 | Y3478-V3565 HydrophobicContact CD2-CG1 3.93Å; Y3478-V3565 HydrophobicContact CD2-CG2 4.42Å; Y3478-V3565 HydrophobicContact CE2-CG1 3.64Å; R3481-V3565 HydrophobicContact CB-CB 4.42Å; R3481-V3565 HydrophobicContact CB-CG2 3.66Å; R3481-V3565 PolarHBondContact O-N 3.06Å; Y3563-V3565 PolarHBondContact O-N 3.17Å |
| 3566 | T | 76.1 | Confident | 73.9 | Confident | 19.5 Ų | 19.5 | 71.4 Ų | 71.4 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -110 | 143.1 | -177.4 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | C3564 T3568 L3570 | C3564-T3566 VanDerWaalsContact C-N 3.35Å; T3566-T3568 WeakPolarHBondContact CB-O 3.37Å; T3566-T3568 PolarHBondContact O-N 3.31Å; T3566-T3568 VanDerWaalsContact O-N 3.15Å; T3566-T3568 PolarHBondContact OG1-O 3.41Å; T3566-L3570 HydrophobicContact CG2-CD1 4.46Å; T3566-L3570 HydrophobicContact CG2-CD2 4.33Å; T3566-L3570 HydrophobicContact CG2-CG 4.34Å |
| 3567 | S | 71.4 | Confident | 76.7 | Confident | 89 Ų | 89 | 67.4 Ų | 67.4 | 62% | 0.622 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -65.1 | -8.3 | 175.8 | 61.2 | 0 | 0 | 0 | 0 | 114.5 | R3560 | R3560-S3567 VanDerWaalsContact NH1-C 3.26Å; R3560-S3567 PolarHBondContact NH1-O 3.28Å; R3560-S3567 PolarHBondContact NH2-O 3Å |
| 3568 | T | 77.2 | Confident | 79.3 | Confident | 69 Ų | 69 | 62 Ų | 62 | 42% | 0.423 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -142.5 | 127.4 | 167 | 53.4 | 0 | 0 | 0 | 0 | 105.9 | K3318 R3560 T3566 L3570 | K3318-T3568 PolarHBondContact NZ-OG1 3.42Å; R3560-T3568 VanDerWaalsContact NH2-CA 3.27Å; T3566-T3568 WeakPolarHBondContact CB-O 3.37Å; T3566-T3568 PolarHBondContact O-N 3.31Å; T3566-T3568 VanDerWaalsContact O-N 3.15Å; T3566-T3568 PolarHBondContact OG1-O 3.41Å; T3568-L3570 PolarHBondContact O-N 3.24Å |
| 3569 | P | 79.2 | Confident | 81.2 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 29% | 0.292 | 34% | 0.338 | S | S | . | . | trans | -59.5 | 147.2 | 174.6 | 27.2 | -33.9 | 0 | 0 | 0 | 109.9 | E3484 | E3484-P3569 HydrophobicContact CB-CB 3.64Å; E3484-P3569 HydrophobicContact CB-CG 3.74Å; E3484-P3569 HydrophobicContact CG-CB 4.38Å; E3484-P3569 HydrophobicContact CG-CG 3.99Å; E3484-P3569 WeakPolarHBondContact OE2-CG 3.39Å | ||
| 3570 | L | 82.9 | Confident | 82.5 | Confident | 37.5 Ų | 37.5 | 55.8 Ų | 55.8 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -87.3 | -39.4 | -172.6 | -65.4 | -175 | 0 | 0 | 0 | 112.5 | K3318 C3321 S3482 T3566 T3568 | K3318-L3570 HydrophobicContact CB-CD2 4.05Å; K3318-L3570 HydrophobicContact CD-CD2 3.87Å; K3318-L3570 HydrophobicContact CG-CD2 3.95Å; C3321-L3570 HydrophobicContact CB-CD1 3.87Å; S3482-L3570 WeakPolarHBondContact O-CB 3.27Å; S3482-L3570 PolarHBondContact O-N 2.93Å; T3566-L3570 HydrophobicContact CG2-CD1 4.46Å; T3566-L3570 HydrophobicContact CG2-CD2 4.33Å; T3566-L3570 HydrophobicContact CG2-CG 4.34Å; T3568-L3570 PolarHBondContact O-N 3.24Å |
| 3571 | V | 84.6 | Confident | 83.1 | Confident | 54.5 Ų | 54.5 | 48.3 Ų | 48.3 | 33% | 0.33 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 148.9 | -178 | -164.7 | 0 | 0 | 0 | 0 | 107.8 | L3325 C3483 E3484 | L3325-V3571 HydrophobicContact CB-CG2 4.38Å; L3325-V3571 HydrophobicContact CD1-CB 4.35Å; L3325-V3571 HydrophobicContact CD1-CG2 3.96Å; C3483-V3571 CarbonylContact C-O 3.59Å; C3483-V3571 WeakPolarHBondContact CA-O 3.12Å; C3483-V3571 WeakPolarHBondContact CB-O 3.35Å; E3484-V3571 PolarHBondContact N-O 3.41Å |
| 3572 | T | 85.7 | Confident | 83.1 | Confident | 86.5 Ų | 86.5 | 49.5 Ų | 49.5 | 53% | 0.531 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 146.5 | 165.4 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | E3484 S3574 | E3484-T3572 HydrophobicContact CB-CG2 4.39Å; T3572-S3574 PolarHBondContact O-N 3.25Å |
| 3573 | L | 86.5 | Confident | 82.9 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 139.1 | 174.5 | -84 | 131.7 | 0 | 0 | 0 | 111.2 | C3483 E3484 I3485 L3577 V3578 F3582 F3612 F3613 | C3483-L3573 HydrophobicContact CB-CD1 3.48Å; C3483-L3573 VanDerWaalsContact CB-CD1 3.48Å; C3483-L3573 HydrophobicContact CB-CD2 3.56Å; C3483-L3573 HydrophobicContact CB-CG 3.86Å; E3484-L3573 VanDerWaalsContact C-CD1 3.48Å; E3484-L3573 WeakPolarHBondContact O-CD1 3.3Å; E3484-L3573 PolarHBondContact O-N 3.25Å; I3485-L3573 HydrophobicContact CB-CD1 4.49Å; I3485-L3573 HydrophobicContact CG1-CD1 3.92Å; L3573-L3577 HydrophobicContact CD2-CB 4.06Å; L3573-L3577 HydrophobicContact CD2-CD1 3.93Å; L3573-V3578 HydrophobicContact CB-CG2 3.91Å; L3573-F3582 HydrophobicContact CD1-CE2 4.36Å; L3573-F3612 HydrophobicContact CD1-CE1 4.38Å; L3573-F3612 HydrophobicContact CD1-CZ 4.49Å; L3573-F3613 HydrophobicContact CD2-CE1 3.68Å; L3573-F3613 HydrophobicContact CD2-CZ 3.86Å |
| 3574 | S | 86 | Confident | 82.3 | Confident | 26.5 Ų | 26.5 | 50.6 Ų | 50.6 | 19% | 0.185 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 151.7 | 175.2 | 74.4 | 0 | 0 | 0 | 0 | 110.5 | E3331 T3572 S3576 L3577 V3578 | E3331-S3574 WeakPolarHBondContact OE1-CB 3.37Å; E3331-S3574 PolarHBondContact OE1-OG 3.1Å; T3572-S3574 PolarHBondContact O-N 3.25Å; S3574-S3576 PolarHBondContact O-N 3.23Å; S3574-S3576 VanDerWaalsContact O-N 3.14Å; S3574-L3577 PolarHBondContact O-N 2.91Å; S3574-L3577 VanDerWaalsContact O-N 3.12Å; S3574-L3577 WeakPolarHBondContact OG-CG 3.45Å; S3574-L3577 PolarHBondContact OG-N 2.91Å; S3574-V3578 WeakPolarHBondContact O-CB 3.37Å; S3574-V3578 WeakPolarHBondContact O-CG2 3.3Å; S3574-V3578 PolarHBondContact O-N 3.16Å |
| 3575 | N | 82.9 | Confident | 81.8 | Confident | 133 Ų | 133 | 53.3 Ų | 53.3 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.7 | -30.4 | 174.6 | -71.7 | -16.8 | 0 | 0 | 0 | 112.1 | Q3579 | N3575-Q3579 WeakPolarHBondContact O-CB 3.32Å; N3575-Q3579 VanDerWaalsContact O-CG 3.3Å; N3575-Q3579 WeakPolarHBondContact O-CG 3.34Å; N3575-Q3579 PolarHBondContact O-N 3.25Å |
| 3576 | S | 83.3 | Confident | 81.8 | Confident | 56 Ų | 56 | 51.3 Ų | 51.3 | 39% | 0.392 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.7 | -44.6 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | S3574 V3578 Q3579 L3580 | S3574-S3576 PolarHBondContact O-N 3.23Å; S3574-S3576 VanDerWaalsContact O-N 3.14Å; S3576-V3578 VanDerWaalsContact C-N 3.35Å; S3576-Q3579 PolarHBondContact O-N 3.2Å; S3576-L3580 VanDerWaalsContact O-CG 3.3Å; S3576-L3580 WeakPolarHBondContact O-CG 3.25Å; S3576-L3580 PolarHBondContact O-N 3.45Å |
| 3577 | L | 85.4 | Confident | 82.2 | Confident | 3.5 Ų | 3.5 | 54.6 Ų | 54.6 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 174.2 | -73.5 | 168.4 | 0 | 0 | 0 | 112.1 | P3330 E3331 I3334 L3573 S3574 Q3579 L3580 F3581 | P3330-L3577 HydrophobicContact CB-CD1 3.96Å; P3330-L3577 HydrophobicContact CB-CD2 3.91Å; P3330-L3577 HydrophobicContact CB-CG 4.48Å; P3330-L3577 HydrophobicContact CG-CD1 4.35Å; E3331-L3577 HydrophobicContact CG-CD2 3.89Å; E3331-L3577 HydrophobicContact CG-CG 3.81Å; I3334-L3577 HydrophobicContact CD1-CD2 3.7Å; L3573-L3577 HydrophobicContact CD2-CB 4.06Å; L3573-L3577 HydrophobicContact CD2-CD1 3.93Å; S3574-L3577 PolarHBondContact O-N 2.91Å; S3574-L3577 VanDerWaalsContact O-N 3.12Å; S3574-L3577 WeakPolarHBondContact OG-CG 3.45Å; S3574-L3577 PolarHBondContact OG-N 2.91Å; L3577-Q3579 VanDerWaalsContact C-N 3.31Å; L3577-Q3579 PolarHBondContact O-N 3.41Å; L3577-L3580 HydrophobicContact CD2-CD1 4.29Å; L3577-L3580 PolarHBondContact O-N 3.01Å; L3577-F3581 HydrophobicContact CD2-CE2 4.29Å; L3577-F3581 PolarHBondContact O-N 3.1Å |
| 3578 | V | 85.2 | Confident | 82.8 | Confident | 8.5 Ų | 8.5 | 57.3 Ų | 57.3 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 172.3 | 161.7 | 0 | 0 | 0 | 0 | 110.9 | P3486 Y3489 L3573 S3574 S3576 F3581 F3582 | P3486-V3578 HydrophobicContact CG-CG2 4.37Å; Y3489-V3578 HydrophobicContact CD2-CG1 4.04Å; Y3489-V3578 HydrophobicContact CE1-CG1 3.96Å; Y3489-V3578 HydrophobicContact CE2-CB 4.37Å; Y3489-V3578 HydrophobicContact CE2-CG1 3.34Å; Y3489-V3578 HydrophobicContact CE2-CG2 4.1Å; Y3489-V3578 VanDerWaalsContact OH-CG1 3.22Å; Y3489-V3578 WeakPolarHBondContact OH-CG1 3.43Å; L3573-V3578 HydrophobicContact CB-CG2 3.91Å; S3574-V3578 WeakPolarHBondContact O-CB 3.37Å; S3574-V3578 WeakPolarHBondContact O-CG2 3.3Å; S3574-V3578 PolarHBondContact O-N 3.16Å; S3576-V3578 VanDerWaalsContact C-N 3.35Å; V3578-F3581 PolarHBondContact O-N 3.49Å; V3578-F3582 HydrophobicContact CB-CD2 4.37Å; V3578-F3582 HydrophobicContact CG1-CD2 4.14Å; V3578-F3582 HydrophobicContact CG2-CD2 4.41Å; V3578-F3582 WeakPolarHBondContact O-CA 3.45Å; V3578-F3582 VanDerWaalsContact O-CB 3.3Å; V3578-F3582 WeakPolarHBondContact O-CB 3.29Å; V3578-F3582 WeakPolarHBondContact O-CD2 3.25Å; V3578-F3582 PolarHBondContact O-N 3.31Å |
| 3579 | Q | 82.7 | Confident | 83.3 | Confident | 119.5 Ų | 119.5 | 54.4 Ų | 54.4 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.9 | -43.2 | 174.3 | -77.2 | 174.7 | -13.4 | 0 | 0 | 111.7 | N3575 S3576 L3577 F3581 S3583 | N3575-Q3579 WeakPolarHBondContact O-CB 3.32Å; N3575-Q3579 VanDerWaalsContact O-CG 3.3Å; N3575-Q3579 WeakPolarHBondContact O-CG 3.34Å; N3575-Q3579 PolarHBondContact O-N 3.25Å; S3576-Q3579 PolarHBondContact O-N 3.2Å; L3577-Q3579 VanDerWaalsContact C-N 3.31Å; L3577-Q3579 PolarHBondContact O-N 3.41Å; Q3579-F3581 PolarHBondContact O-N 2.72Å; Q3579-S3583 WeakPolarHBondContact O-CB 3.46Å; Q3579-S3583 PolarHBondContact O-N 2.96Å; Q3579-S3583 VanDerWaalsContact O-N 3.15Å; Q3579-S3583 PolarHBondContact O-OG 3.46Å |
| 3580 | L | 83.9 | Confident | 83.8 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 179.6 | -72.5 | 165.1 | 0 | 0 | 0 | 112.3 | E3331 I3334 S3576 L3577 Q3585 S3586 I3589 | E3331-L3580 HydrophobicContact CG-CD1 4.32Å; I3334-L3580 HydrophobicContact CD1-CD1 4.13Å; I3334-L3580 HydrophobicContact CG2-CD1 4.39Å; I3334-L3580 HydrophobicContact CG2-CD2 4.44Å; S3576-L3580 VanDerWaalsContact O-CG 3.3Å; S3576-L3580 WeakPolarHBondContact O-CG 3.25Å; S3576-L3580 PolarHBondContact O-N 3.45Å; L3577-L3580 HydrophobicContact CD2-CD1 4.29Å; L3577-L3580 PolarHBondContact O-N 3.01Å; L3580-Q3585 CarbonylContact O-C 3.45Å; L3580-S3586 VanDerWaalsContact O-CA 3.24Å; L3580-S3586 WeakPolarHBondContact O-CA 3.37Å; L3580-S3586 PolarHBondContact O-N 3.33Å; L3580-I3589 HydrophobicContact CB-CD1 3.76Å; L3580-I3589 HydrophobicContact CD2-CD1 3.83Å; L3580-I3589 HydrophobicContact CG-CD1 4.37Å; L3580-I3589 WeakPolarHBondContact O-CD1 3.45Å |
| 3581 | F | 85.6 | Confident | 84 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -97.3 | -17.9 | -175.4 | -73.2 | -79.4 | 0 | 0 | 0 | 115.9 | I3334 L3577 V3578 Q3579 S3586 I3589 I3609 F3613 F3620 | I3334-F3581 HydrophobicContact CD1-CE2 3.62Å; I3334-F3581 HydrophobicContact CD1-CZ 4.03Å; L3577-F3581 HydrophobicContact CD2-CE2 4.29Å; L3577-F3581 PolarHBondContact O-N 3.1Å; V3578-F3581 PolarHBondContact O-N 3.49Å; Q3579-F3581 PolarHBondContact O-N 2.72Å; F3581-S3586 VanDerWaalsContact O-CB 3.27Å; F3581-S3586 WeakPolarHBondContact O-CB 3.36Å; F3581-I3589 HydrophobicContact CE1-CG2 3.95Å; F3581-I3589 HydrophobicContact CZ-CG2 4.31Å; F3581-I3609 HydrophobicContact CE1-CG2 4.23Å; F3581-I3609 HydrophobicContact CZ-CG2 4.25Å; F3581-F3613 HydrophobicContact CB-CD1 4.31Å; F3581-F3613 HydrophobicContact CB-CE1 3.97Å; F3581-F3613 HydrophobicContact CB-CE2 4.29Å; F3581-F3613 HydrophobicContact CB-CZ 3.96Å; F3581-F3613 AromaticContact CD1-CD2 3.79Å; F3581-F3613 HydrophobicContact CD1-CD2 3.79Å; F3581-F3613 AromaticContact CD1-CE2 3.56Å; F3581-F3613 HydrophobicContact CD1-CE2 3.56Å; F3581-F3613 HydrophobicContact CD1-CG 4.46Å; F3581-F3613 HydrophobicContact CD1-CZ 4.06Å; F3581-F3613 HydrophobicContact CD2-CE1 4.22Å; F3581-F3613 AromaticContact CD2-CE2 3.61Å; F3581-F3613 HydrophobicContact CD2-CE2 3.61Å; F3581-F3613 AromaticContact CD2-CZ 3.39Å; F3581-F3613 HydrophobicContact CD2-CZ 3.39Å; F3581-F3613 HydrophobicContact CE1-CD2 4.02Å; F3581-F3613 AromaticContact CE1-CE2 3.64Å; F3581-F3613 HydrophobicContact CE1-CE2 3.64Å; F3581-F3613 HydrophobicContact CE1-CZ 4.42Å; F3581-F3613 AromaticContact CE2-CE2 3.67Å; F3581-F3613 HydrophobicContact CE2-CE2 3.67Å; F3581-F3613 AromaticContact CE2-CZ 3.8Å; F3581-F3613 HydrophobicContact CE2-CZ 3.8Å; F3581-F3613 HydrophobicContact CG-CD2 4.09Å; F3581-F3613 HydrophobicContact CG-CE1 4.07Å; F3581-F3613 AromaticContact CG-CE2 3.54Å; F3581-F3613 HydrophobicContact CG-CE2 3.54Å; F3581-F3613 AromaticContact CG-CZ 3.53Å; F3581-F3613 HydrophobicContact CG-CZ 3.53Å; F3581-F3613 HydrophobicContact CZ-CD2 4.49Å; F3581-F3613 AromaticContact CZ-CE2 3.69Å; F3581-F3613 HydrophobicContact CZ-CE2 3.69Å; F3581-F3613 HydrophobicContact CZ-CZ 4.3Å; F3581-F3620 HydrophobicContact CB-CE2 4.4Å; F3581-F3620 HydrophobicContact CD1-CE2 4.13Å; F3581-F3620 HydrophobicContact CD1-CZ 4.06Å; F3581-F3620 WeakPolarHBondContact O-CD2 3.18Å; F3581-F3620 WeakPolarHBondContact O-CE2 3.45Å |
| 3582 | F | 84.2 | Confident | 84.1 | Confident | 45.5 Ų | 45.5 | 56 Ų | 56 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -122.4 | 3.8 | -178.1 | -53.8 | -58.3 | 0 | 0 | 0 | 115.1 | I3485 Y3489 L3573 V3578 F3613 N3617 | I3485-F3582 HydrophobicContact CG2-CE2 4.12Å; I3485-F3582 HydrophobicContact CG2-CZ 3.86Å; Y3489-F3582 HydrophobicContact CD1-CB 4.15Å; Y3489-F3582 HydrophobicContact CD1-CD2 4.14Å; Y3489-F3582 HydrophobicContact CD1-CG 4.13Å; Y3489-F3582 AromaticContact CD2-CD2 3.61Å; Y3489-F3582 HydrophobicContact CD2-CD2 3.97Å; Y3489-F3582 AromaticContact CD2-CE2 3.71Å; Y3489-F3582 HydrophobicContact CD2-CE2 4.08Å; Y3489-F3582 HydrophobicContact CD2-CG 4.43Å; Y3489-F3582 HydrophobicContact CE1-CB 4.16Å; Y3489-F3582 HydrophobicContact CE1-CD2 4.29Å; Y3489-F3582 HydrophobicContact CE1-CG 4.36Å; Y3489-F3582 AromaticContact CE2-CD2 3.8Å; Y3489-F3582 HydrophobicContact CE2-CD2 3.8Å; Y3489-F3582 HydrophobicContact CE2-CE2 4.27Å; Y3489-F3582 AromaticContact CG-CD2 3.77Å; Y3489-F3582 HydrophobicContact CG-CD2 3.91Å; Y3489-F3582 AromaticContact CG-CE2 3.95Å; Y3489-F3582 HydrophobicContact CG-CE2 4.11Å; Y3489-F3582 HydrophobicContact CG-CG 4.26Å; Y3489-F3582 HydrophobicContact CG-CZ 4.5Å; L3573-F3582 HydrophobicContact CD1-CE2 4.36Å; V3578-F3582 HydrophobicContact CB-CD2 4.37Å; V3578-F3582 HydrophobicContact CG1-CD2 4.14Å; V3578-F3582 HydrophobicContact CG2-CD2 4.41Å; V3578-F3582 WeakPolarHBondContact O-CA 3.45Å; V3578-F3582 VanDerWaalsContact O-CB 3.3Å; V3578-F3582 WeakPolarHBondContact O-CB 3.29Å; V3578-F3582 WeakPolarHBondContact O-CD2 3.25Å; V3578-F3582 PolarHBondContact O-N 3.31Å; F3582-F3613 HydrophobicContact CE1-CD1 4.16Å; F3582-F3613 HydrophobicContact CE2-CD1 4.24Å; F3582-F3613 HydrophobicContact CE2-CE1 4.16Å; F3582-F3613 AromaticContact CZ-CD1 3.6Å; F3582-F3613 HydrophobicContact CZ-CD1 3.6Å; F3582-F3613 AromaticContact CZ-CE1 3.99Å; F3582-F3613 HydrophobicContact CZ-CE1 3.99Å; F3582-N3617 WeakPolarHBondContact CE1-ND2 3.24Å |
| 3583 | S | 81.8 | Confident | 84.3 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -102 | -174.8 | 170.3 | 83.5 | 0 | 0 | 0 | 0 | 112 | Q3579 Q3585 S3586 | Q3579-S3583 WeakPolarHBondContact O-CB 3.46Å; Q3579-S3583 PolarHBondContact O-N 2.96Å; Q3579-S3583 VanDerWaalsContact O-N 3.15Å; Q3579-S3583 PolarHBondContact O-OG 3.46Å; S3583-Q3585 PolarHBondContact O-N 3.15Å; S3583-Q3585 PolarHBondContact OG-N 3.05Å; S3583-S3586 VanDerWaalsContact O-CB 3.25Å; S3583-S3586 WeakPolarHBondContact O-CB 3.33Å; S3583-S3586 PolarHBondContact O-N 3.2Å; S3583-S3586 PolarHBondContact O-OG 2.97Å |
| 3584 | S | 73.3 | Confident | 84.4 | Confident | 113 Ų | 113 | 51.9 Ų | 51.9 | 79% | 0.79 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -14.9 | 173 | 56 | 0 | 0 | 0 | 0 | 114.5 | S3586 | S3584-S3586 VanDerWaalsContact C-N 3.3Å; S3584-S3586 PolarHBondContact O-N 2.79Å |
| 3585 | Q | 75.7 | Confident | 84.3 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.2 | -18.3 | 172.9 | -65.5 | -173.7 | -11.3 | 0 | 0 | 113.4 | L3580 S3583 E3587 R3588 I3589 | L3580-Q3585 CarbonylContact O-C 3.45Å; S3583-Q3585 PolarHBondContact O-N 3.15Å; S3583-Q3585 PolarHBondContact OG-N 3.05Å; Q3585-E3587 VanDerWaalsContact C-N 3.32Å; Q3585-E3587 PolarHBondContact O-N 3.03Å; Q3585-R3588 PolarHBondContact O-N 3.1Å; Q3585-I3589 PolarHBondContact O-N 3.1Å |
| 3586 | S | 83.3 | Confident | 84.1 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -39.8 | -177.8 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | L3580 F3581 S3583 S3584 R3588 I3589 V3590 L3623 | L3580-S3586 VanDerWaalsContact O-CA 3.24Å; L3580-S3586 WeakPolarHBondContact O-CA 3.37Å; L3580-S3586 PolarHBondContact O-N 3.33Å; F3581-S3586 VanDerWaalsContact O-CB 3.27Å; F3581-S3586 WeakPolarHBondContact O-CB 3.36Å; S3583-S3586 VanDerWaalsContact O-CB 3.25Å; S3583-S3586 WeakPolarHBondContact O-CB 3.33Å; S3583-S3586 PolarHBondContact O-N 3.2Å; S3583-S3586 PolarHBondContact O-OG 2.97Å; S3584-S3586 VanDerWaalsContact C-N 3.3Å; S3584-S3586 PolarHBondContact O-N 2.79Å; S3586-R3588 VanDerWaalsContact C-N 3.33Å; S3586-R3588 PolarHBondContact O-N 3.16Å; S3586-I3589 PolarHBondContact O-N 3.07Å; S3586-V3590 WeakPolarHBondContact O-CB 3.31Å; S3586-V3590 VanDerWaalsContact O-CG2 3.31Å; S3586-V3590 WeakPolarHBondContact O-CG2 3.35Å; S3586-V3590 PolarHBondContact O-N 3.19Å; S3586-L3623 VanDerWaalsContact OG-CD2 3.24Å; S3586-L3623 WeakPolarHBondContact OG-CD2 3.14Å |
| 3587 | E | 84.8 | Confident | 84.3 | Confident | 89.5 Ų | 89.5 | 44.6 Ų | 44.6 | 42% | 0.418 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.9 | -42 | 178.7 | -171.1 | 169.5 | -146.4 | 0 | 0 | 111.7 | Q3585 I3589 K3591 L3623 | Q3585-E3587 VanDerWaalsContact C-N 3.32Å; Q3585-E3587 PolarHBondContact O-N 3.03Å; E3587-I3589 VanDerWaalsContact C-N 3.29Å; E3587-I3589 PolarHBondContact O-N 2.91Å; E3587-K3591 WeakPolarHBondContact O-CB 3.46Å; E3587-K3591 PolarHBondContact O-N 3.24Å; E3587-L3623 HydrophobicContact CB-CD1 4.08Å; E3587-L3623 HydrophobicContact CG-CD1 4.14Å |
| 3588 | R | 85 | Confident | 84.4 | Confident | 146.5 Ų | 146.5 | 44.7 Ų | 44.7 | 55% | 0.553 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64 | -36.2 | 176.5 | -174.9 | 177.2 | 179.3 | 173.1 | 1.3 | 112.3 | E3142 Q3585 S3586 R3592 | E3142-R3588 IonicContact OE1-NH1 2.8Å; E3142-R3588 PolarHBondContact OE1-NH1 3.43Å; E3142-R3588 IonicContact OE1-NH2 3.92Å; Q3585-R3588 PolarHBondContact O-N 3.1Å; S3586-R3588 VanDerWaalsContact C-N 3.33Å; S3586-R3588 PolarHBondContact O-N 3.16Å; R3588-R3592 WeakPolarHBondContact O-CB 3.5Å; R3588-R3592 PolarHBondContact O-N 3.26Å |
| 3589 | I | 87.4 | Confident | 84.5 | Confident | 6.5 Ų | 6.5 | 45.1 Ų | 45.1 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.4 | -48.5 | -179.4 | -61.1 | 178.2 | 0 | 0 | 0 | 110.4 | I3334 L3338 L3580 F3581 Q3585 S3586 E3587 K3591 R3592 L3593 | I3334-I3589 HydrophobicContact CG2-CD1 4.03Å; I3334-I3589 HydrophobicContact CG2-CG1 4.44Å; L3338-I3589 HydrophobicContact CD1-CG1 4.25Å; L3338-I3589 HydrophobicContact CD2-CG1 4.47Å; L3580-I3589 HydrophobicContact CB-CD1 3.76Å; L3580-I3589 HydrophobicContact CD2-CD1 3.83Å; L3580-I3589 HydrophobicContact CG-CD1 4.37Å; L3580-I3589 WeakPolarHBondContact O-CD1 3.45Å; F3581-I3589 HydrophobicContact CE1-CG2 3.95Å; F3581-I3589 HydrophobicContact CZ-CG2 4.31Å; Q3585-I3589 PolarHBondContact O-N 3.1Å; S3586-I3589 PolarHBondContact O-N 3.07Å; E3587-I3589 VanDerWaalsContact C-N 3.29Å; E3587-I3589 PolarHBondContact O-N 2.91Å; I3589-K3591 PolarHBondContact O-N 3.39Å; I3589-R3592 PolarHBondContact O-N 3.38Å; I3589-R3592 VanDerWaalsContact O-N 3.13Å; I3589-L3593 HydrophobicContact CG2-CD1 3.87Å; I3589-L3593 HydrophobicContact CG2-CG 4.34Å; I3589-L3593 WeakPolarHBondContact O-CG 3.22Å; I3589-L3593 PolarHBondContact O-N 3.03Å |
| 3590 | V | 89.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -50.4 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | S3586 R3592 L3593 T3594 L3610 F3620 L3623 I3624 E3627 | S3586-V3590 WeakPolarHBondContact O-CB 3.31Å; S3586-V3590 VanDerWaalsContact O-CG2 3.31Å; S3586-V3590 WeakPolarHBondContact O-CG2 3.35Å; S3586-V3590 PolarHBondContact O-N 3.19Å; V3590-R3592 VanDerWaalsContact C-N 3.27Å; V3590-R3592 PolarHBondContact O-N 3.21Å; V3590-R3592 VanDerWaalsContact O-N 3.16Å; V3590-L3593 CarbonylContact O-C 3.54Å; V3590-L3593 PolarHBondContact O-N 3.1Å; V3590-T3594 HydrophobicContact CG1-CG2 4.15Å; V3590-T3594 PolarHBondContact O-N 2.98Å; V3590-T3594 PolarHBondContact O-OG1 2.89Å; V3590-L3610 HydrophobicContact CG2-CD2 4.43Å; V3590-F3620 HydrophobicContact CG2-CE2 4.03Å; V3590-F3620 HydrophobicContact CG2-CZ 3.91Å; V3590-L3623 HydrophobicContact CB-CD2 4.38Å; V3590-L3623 HydrophobicContact CG2-CD2 3.93Å; V3590-L3623 HydrophobicContact CG2-CG 4.45Å; V3590-I3624 HydrophobicContact CG1-CG1 3.91Å; V3590-I3624 HydrophobicContact CG2-CG1 4.43Å; V3590-E3627 HydrophobicContact CG1-CB 4.21Å; V3590-E3627 HydrophobicContact CG1-CG 4.38Å |
| 3591 | K | 87.8 | Confident | 84.6 | Confident | 93.5 Ų | 93.5 | 44.7 Ų | 44.7 | 41% | 0.407 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55 | -36.6 | 175.9 | -178.8 | 163.4 | -159.1 | 122.7 | 0 | 113.6 | E3587 I3589 G3595 E3627 | E3587-K3591 WeakPolarHBondContact O-CB 3.46Å; E3587-K3591 PolarHBondContact O-N 3.24Å; I3589-K3591 PolarHBondContact O-N 3.39Å; K3591-G3595 WeakPolarHBondContact O-CA 3.12Å; K3591-G3595 PolarHBondContact O-N 2.94Å; K3591-E3627 HydrophobicContact CB-CG 4.32Å; K3591-E3627 VanDerWaalsContact CG-OE1 3.25Å; K3591-E3627 WeakPolarHBondContact CG-OE1 3.4Å |
| 3592 | R | 86.4 | Confident | 84.8 | Confident | 79 Ų | 79 | 44.6 Ų | 44.6 | 30% | 0.298 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -74.9 | -37.7 | 177.3 | -166.7 | 63.9 | 125.8 | 171.2 | 6.7 | 112.2 | L3338 E3341 R3588 I3589 V3590 S3596 L3597 | L3338-R3592 HydrophobicContact CD2-CB 4.23Å; L3338-R3592 HydrophobicContact CD2-CG 4.2Å; E3341-R3592 VanDerWaalsContact CD-NH2 3.29Å; E3341-R3592 IonicContact OE1-CZ 3.66Å; E3341-R3592 IonicContact OE1-NH2 3.76Å; E3341-R3592 PolarHBondContact OE1-NH2 3.41Å; E3341-R3592 IonicContact OE2-CZ 3.12Å; E3341-R3592 IonicContact OE2-NE 2.95Å; E3341-R3592 PolarHBondContact OE2-NE 3.12Å; E3341-R3592 IonicContact OE2-NH1 2.69Å; E3341-R3592 IonicContact OE2-NH2 3.56Å; E3341-R3592 PolarHBondContact OE2-NH2 3.41Å; R3588-R3592 WeakPolarHBondContact O-CB 3.5Å; R3588-R3592 PolarHBondContact O-N 3.26Å; I3589-R3592 PolarHBondContact O-N 3.38Å; I3589-R3592 VanDerWaalsContact O-N 3.13Å; V3590-R3592 VanDerWaalsContact C-N 3.27Å; V3590-R3592 PolarHBondContact O-N 3.21Å; V3590-R3592 VanDerWaalsContact O-N 3.16Å; R3592-S3596 PolarHBondContact NE-OG 3.36Å; R3592-S3596 VanDerWaalsContact NE-OG 3.12Å; R3592-S3596 PolarHBondContact NH1-OG 3.08Å; R3592-S3596 PolarHBondContact NH2-OG 3.02Å; R3592-L3597 HydrophobicContact CB-CD1 4.32Å; R3592-L3597 HydrophobicContact CG-CD1 3.78Å; R3592-L3597 HydrophobicContact CG-CG 4.08Å; R3592-L3597 VanDerWaalsContact O-CB 3.25Å; R3592-L3597 WeakPolarHBondContact O-CB 3.12Å; R3592-L3597 VanDerWaalsContact O-CG 3.27Å; R3592-L3597 WeakPolarHBondContact O-CG 3.32Å; R3592-L3597 PolarHBondContact O-N 3.05Å |
| 3593 | L | 89.1 | Confident | 85.1 | Confident | 4.5 Ų | 4.5 | 43.6 Ų | 43.6 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.3 | -37 | 177.5 | -72.8 | 174.6 | 0 | 0 | 0 | 112.9 | M3337 L3473 I3589 V3590 L3597 I3606 L3610 | M3337-L3593 HydrophobicContact CE-CD2 3.97Å; L3473-L3593 HydrophobicContact CD2-CD2 4.22Å; I3589-L3593 HydrophobicContact CG2-CD1 3.87Å; I3589-L3593 HydrophobicContact CG2-CG 4.34Å; I3589-L3593 WeakPolarHBondContact O-CG 3.22Å; I3589-L3593 PolarHBondContact O-N 3.03Å; V3590-L3593 CarbonylContact O-C 3.54Å; V3590-L3593 PolarHBondContact O-N 3.1Å; L3593-L3597 HydrophobicContact CD2-CD1 4.23Å; L3593-I3606 HydrophobicContact CB-CG2 4.11Å; L3593-I3606 HydrophobicContact CD2-CG1 4.25Å; L3593-L3610 HydrophobicContact CD1-CD2 4.07Å |
| 3594 | T | 88.2 | Confident | 85.5 | Confident | 1.5 Ų | 1.5 | 48.3 Ų | 48.3 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -86 | -23.8 | 178.7 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | V3590 L3598 L3610 E3627 L3628 L3644 | V3590-T3594 HydrophobicContact CG1-CG2 4.15Å; V3590-T3594 PolarHBondContact O-N 2.98Å; V3590-T3594 PolarHBondContact O-OG1 2.89Å; T3594-L3598 WeakPolarHBondContact O-CB 3.4Å; T3594-L3598 WeakPolarHBondContact O-CD2 3.26Å; T3594-L3610 HydrophobicContact CG2-CD1 3.86Å; T3594-E3627 WeakPolarHBondContact OG1-CG 3.48Å; T3594-L3628 HydrophobicContact CG2-CD2 4.08Å; T3594-L3644 HydrophobicContact CG2-CD2 4.11Å |
| 3595 | G | 84 | Confident | 86.4 | Confident | 16 Ų | 16 | 43.1 Ų | 43.1 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -120.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K3591 L3597 L3598 | K3591-G3595 WeakPolarHBondContact O-CA 3.12Å; K3591-G3595 PolarHBondContact O-N 2.94Å; G3595-L3597 PolarHBondContact O-N 3.14Å; G3595-L3598 WeakPolarHBondContact O-CB 3.49Å; G3595-L3598 PolarHBondContact O-N 2.96Å |
| 3596 | S | 80.1 | Confident | 87.2 | Confident | 43.5 Ų | 43.5 | 38.8 Ų | 38.8 | 30% | 0.304 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.9 | -166.8 | 69.4 | 0 | 0 | 0 | 0 | 116.7 | E3341 K3345 R3592 | E3341-S3596 PolarHBondContact OE1-OG 2.98Å; K3345-S3596 PolarHBondContact NZ-O 2.77Å; R3592-S3596 PolarHBondContact NE-OG 3.36Å; R3592-S3596 VanDerWaalsContact NE-OG 3.12Å; R3592-S3596 PolarHBondContact NH1-OG 3.08Å; R3592-S3596 PolarHBondContact NH2-OG 3.02Å |
| 3597 | L | 86 | Confident | 87.7 | Confident | 1.5 Ų | 1.5 | 38.1 Ų | 38.1 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -16.7 | 176.2 | -61.4 | 179.4 | 0 | 0 | 0 | 112.9 | M3337 E3341 L3344 L3469 R3592 L3593 G3595 N3599 T3602 I3606 | M3337-L3597 HydrophobicContact CE-CD1 3.59Å; M3337-L3597 VanDerWaalsContact CE-CD1 3.46Å; M3337-L3597 HydrophobicContact CG-CD1 4.05Å; M3337-L3597 HydrophobicContact CG-CD2 4.35Å; M3337-L3597 HydrophobicContact SD-CD1 3.65Å; E3341-L3597 HydrophobicContact CG-CD2 3.68Å; L3344-L3597 HydrophobicContact CD1-CD2 4.24Å; L3469-L3597 HydrophobicContact CD1-CD2 4.15Å; L3469-L3597 HydrophobicContact CD2-CD2 3.89Å; R3592-L3597 HydrophobicContact CB-CD1 4.32Å; R3592-L3597 HydrophobicContact CG-CD1 3.78Å; R3592-L3597 HydrophobicContact CG-CG 4.08Å; R3592-L3597 VanDerWaalsContact O-CB 3.25Å; R3592-L3597 WeakPolarHBondContact O-CB 3.12Å; R3592-L3597 VanDerWaalsContact O-CG 3.27Å; R3592-L3597 WeakPolarHBondContact O-CG 3.32Å; R3592-L3597 PolarHBondContact O-N 3.05Å; L3593-L3597 HydrophobicContact CD2-CD1 4.23Å; G3595-L3597 PolarHBondContact O-N 3.14Å; L3597-N3599 PolarHBondContact O-ND2 3.43Å; L3597-T3602 WeakPolarHBondContact O-CB 3.2Å; L3597-T3602 PolarHBondContact O-OG1 3.04Å; L3597-I3606 HydrophobicContact CB-CD1 4.23Å; L3597-I3606 WeakPolarHBondContact O-CD1 3.16Å |
| 3598 | L | 88.1 | Confident | 88 | Confident | 6.5 Ų | 6.5 | 34.9 Ų | 34.9 | 3% | 0.034 | 17% | 0.17 | C | C | . | . | trans | -82.2 | 121.9 | -178.1 | -167.7 | 62.3 | 0 | 0 | 0 | 110.6 | T3594 G3595 L3603 I3606 V3641 L3644 | T3594-L3598 WeakPolarHBondContact O-CB 3.4Å; T3594-L3598 WeakPolarHBondContact O-CD2 3.26Å; G3595-L3598 WeakPolarHBondContact O-CB 3.49Å; G3595-L3598 PolarHBondContact O-N 2.96Å; L3598-L3603 HydrophobicContact CD1-CB 4.48Å; L3598-L3603 HydrophobicContact CD1-CD1 3.85Å; L3598-I3606 HydrophobicContact CD1-CB 4.45Å; L3598-I3606 HydrophobicContact CD1-CD1 4.21Å; L3598-I3606 HydrophobicContact CD1-CG2 4.24Å; L3598-V3641 HydrophobicContact CD2-CB 4.49Å; L3598-V3641 HydrophobicContact CD2-CG2 3.82Å; L3598-L3644 HydrophobicContact CD1-CD2 4.33Å; L3598-L3644 HydrophobicContact CD2-CD2 3.88Å | ||
| 3599 | N | 86.6 | Confident | 88.4 | Confident | 16.5 Ų | 16.5 | 27.9 Ų | 27.9 | 9% | 0.088 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -158.3 | 174.4 | 174.5 | 64.2 | 60.1 | 0 | 0 | 0 | 108.5 | L3597 I3601 T3602 L3603 S3640 | L3597-N3599 PolarHBondContact O-ND2 3.43Å; N3599-I3601 PolarHBondContact O-N 3.48Å; N3599-I3601 VanDerWaalsContact O-N 3.1Å; N3599-I3601 WeakPolarHBondContact OD1-CA 3.23Å; N3599-I3601 WeakPolarHBondContact OD1-CB 3.4Å; N3599-I3601 PolarHBondContact OD1-N 3.3Å; N3599-T3602 PolarHBondContact N-OG1 3.36Å; N3599-T3602 PolarHBondContact O-N 3.2Å; N3599-T3602 VanDerWaalsContact O-N 3.12Å; N3599-T3602 PolarHBondContact O-OG1 3.02Å; N3599-T3602 PolarHBondContact OD1-N 3.37Å; N3599-T3602 PolarHBondContact OD1-OG1 3.25Å; N3599-L3603 WeakPolarHBondContact O-CB 3.31Å; N3599-L3603 PolarHBondContact O-N 3.15Å; N3599-S3640 VanDerWaalsContact C-OG 3.28Å |
| 3600 | P | 86.3 | Confident | 88.6 | Confident | 90.5 Ų | 90.5 | 27.7 Ų | 27.7 | 59% | 0.588 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -23.7 | -172.3 | -24.5 | 37.2 | 0 | 0 | 0 | 113.8 | D3637 | P3600-D3637 VanDerWaalsContact CD-OD2 3.22Å; P3600-D3637 WeakPolarHBondContact CD-OD2 3.38Å |
| 3601 | I | 84.4 | Confident | 88.7 | Confident | 37 Ų | 37 | 27.8 Ų | 27.8 | 19% | 0.19 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -36.1 | 179.9 | -60.5 | 161.6 | 0 | 0 | 0 | 111.2 | N3462 L3463 Y3466 K3470 N3599 | N3462-I3601 HydrophobicContact CB-CD1 3.98Å; L3463-I3601 HydrophobicContact CD1-CD1 4.49Å; L3463-I3601 HydrophobicContact CD1-CG2 4.09Å; Y3466-I3601 HydrophobicContact CD2-CD1 4.09Å; K3470-I3601 HydrophobicContact CB-CG2 3.96Å; K3470-I3601 HydrophobicContact CD-CG2 3.7Å; K3470-I3601 HydrophobicContact CG-CG2 3.86Å; N3599-I3601 PolarHBondContact O-N 3.48Å; N3599-I3601 VanDerWaalsContact O-N 3.1Å; N3599-I3601 WeakPolarHBondContact OD1-CA 3.23Å; N3599-I3601 WeakPolarHBondContact OD1-CB 3.4Å; N3599-I3601 PolarHBondContact OD1-N 3.3Å |
| 3602 | T | 88.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -10.1 | -176.4 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | L3469 L3473 L3597 N3599 K3604 P3605 I3606 | L3469-T3602 HydrophobicContact CD2-CG2 4.02Å; L3469-T3602 HydrophobicContact CG-CG2 4.17Å; L3473-T3602 HydrophobicContact CD1-CG2 3.62Å; L3597-T3602 WeakPolarHBondContact O-CB 3.2Å; L3597-T3602 PolarHBondContact O-OG1 3.04Å; N3599-T3602 PolarHBondContact N-OG1 3.36Å; N3599-T3602 PolarHBondContact O-N 3.2Å; N3599-T3602 VanDerWaalsContact O-N 3.12Å; N3599-T3602 PolarHBondContact O-OG1 3.02Å; N3599-T3602 PolarHBondContact OD1-N 3.37Å; N3599-T3602 PolarHBondContact OD1-OG1 3.25Å; T3602-K3604 VanDerWaalsContact C-N 3.29Å; T3602-K3604 PolarHBondContact O-N 3.31Å; T3602-P3605 WeakPolarHBondContact O-CD 3.17Å; T3602-P3605 VanDerWaalsContact O-CG 3.31Å; T3602-P3605 WeakPolarHBondContact O-CG 3.31Å; T3602-I3606 WeakPolarHBondContact O-CB 3.33Å; T3602-I3606 VanDerWaalsContact O-CG1 3.3Å; T3602-I3606 WeakPolarHBondContact O-CG1 3.47Å; T3602-I3606 PolarHBondContact O-N 2.92Å |
| 3603 | L | 90.6 | Very high | 89.1 | Confident | 24 Ų | 24 | 19.6 Ų | 19.6 | 13% | 0.126 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -50.6 | -46.1 | -178 | 175.2 | 62 | 0 | 0 | 0 | 112.6 | L3598 N3599 S3607 S3640 K3643 L3644 | L3598-L3603 HydrophobicContact CD1-CB 4.48Å; L3598-L3603 HydrophobicContact CD1-CD1 3.85Å; N3599-L3603 WeakPolarHBondContact O-CB 3.31Å; N3599-L3603 PolarHBondContact O-N 3.15Å; L3603-S3607 WeakPolarHBondContact O-CB 3.39Å; L3603-S3607 PolarHBondContact O-N 3.07Å; L3603-S3607 PolarHBondContact O-OG 3.35Å; L3603-S3640 WeakPolarHBondContact CD1-O 3.32Å; L3603-K3643 HydrophobicContact CD2-CB 3.94Å; L3603-K3643 HydrophobicContact CD2-CD 3.96Å; L3603-L3644 HydrophobicContact CD1-CB 4.12Å |
| 3604 | K | 91 | Very high | 89.1 | Confident | 140 Ų | 140 | 19.4 Ų | 19.4 | 61% | 0.609 | 11% | 0.109 | S | C | * | . | H | α-helix | trans | -63.7 | -57.2 | -176.8 | -176.5 | 178.2 | 179.5 | 179.6 | 0 | 113.6 | T3602 I3606 S3607 D3608 | T3602-K3604 VanDerWaalsContact C-N 3.29Å; T3602-K3604 PolarHBondContact O-N 3.31Å; K3604-I3606 VanDerWaalsContact C-N 3.31Å; K3604-I3606 PolarHBondContact O-N 3.4Å; K3604-S3607 WeakPolarHBondContact CA-OG 3.45Å; K3604-S3607 PolarHBondContact O-OG 3.18Å; K3604-D3608 WeakPolarHBondContact O-CB 3.5Å; K3604-D3608 VanDerWaalsContact O-CG 3.25Å; K3604-D3608 PolarHBondContact O-N 3.35Å |
| 3605 | P | 91.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.019 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | -179.8 | 23.3 | -34 | 0 | 0 | 0 | 113.1 | L3473 S3477 T3602 I3609 | L3473-P3605 HydrophobicContact CB-CB 3.87Å; L3473-P3605 HydrophobicContact CB-CG 3.75Å; S3477-P3605 PolarHBondContact OG-O 2.84Å; T3602-P3605 WeakPolarHBondContact O-CD 3.17Å; T3602-P3605 VanDerWaalsContact O-CG 3.31Å; T3602-P3605 WeakPolarHBondContact O-CG 3.31Å; P3605-I3609 VanDerWaalsContact O-CG1 3.32Å; P3605-I3609 WeakPolarHBondContact O-CG1 3.43Å; P3605-I3609 PolarHBondContact O-N 3.22Å |
| 3606 | I | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.8 | -52.4 | 177.7 | -67.2 | 173.5 | 0 | 0 | 0 | 110.8 | L3473 L3593 L3597 L3598 T3602 K3604 D3608 I3609 L3610 | L3473-I3606 HydrophobicContact CD1-CD1 3.99Å; L3473-I3606 HydrophobicContact CD1-CG1 3.94Å; L3473-I3606 HydrophobicContact CD2-CG1 4Å; L3593-I3606 HydrophobicContact CB-CG2 4.11Å; L3593-I3606 HydrophobicContact CD2-CG1 4.25Å; L3597-I3606 HydrophobicContact CB-CD1 4.23Å; L3597-I3606 WeakPolarHBondContact O-CD1 3.16Å; L3598-I3606 HydrophobicContact CD1-CB 4.45Å; L3598-I3606 HydrophobicContact CD1-CD1 4.21Å; L3598-I3606 HydrophobicContact CD1-CG2 4.24Å; T3602-I3606 WeakPolarHBondContact O-CB 3.33Å; T3602-I3606 VanDerWaalsContact O-CG1 3.3Å; T3602-I3606 WeakPolarHBondContact O-CG1 3.47Å; T3602-I3606 PolarHBondContact O-N 2.92Å; K3604-I3606 VanDerWaalsContact C-N 3.31Å; K3604-I3606 PolarHBondContact O-N 3.4Å; I3606-D3608 VanDerWaalsContact C-N 3.28Å; I3606-D3608 PolarHBondContact O-N 3.2Å; I3606-I3609 PolarHBondContact O-N 2.86Å; I3606-I3609 VanDerWaalsContact O-N 3.15Å; I3606-L3610 HydrophobicContact CG2-CD1 3.86Å; I3606-L3610 HydrophobicContact CG2-CG 4.34Å; I3606-L3610 WeakPolarHBondContact O-CG 3.42Å; I3606-L3610 PolarHBondContact O-N 2.72Å |
| 3607 | S | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.6 | -43.6 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | L3603 K3604 I3609 L3610 L3611 R3647 | L3603-S3607 WeakPolarHBondContact O-CB 3.39Å; L3603-S3607 PolarHBondContact O-N 3.07Å; L3603-S3607 PolarHBondContact O-OG 3.35Å; K3604-S3607 WeakPolarHBondContact CA-OG 3.45Å; K3604-S3607 PolarHBondContact O-OG 3.18Å; S3607-I3609 VanDerWaalsContact C-N 3.32Å; S3607-I3609 PolarHBondContact O-N 3.1Å; S3607-L3610 PolarHBondContact O-N 3.41Å; S3607-L3611 VanDerWaalsContact O-CB 3.31Å; S3607-L3611 WeakPolarHBondContact O-CB 3.44Å; S3607-L3611 WeakPolarHBondContact O-CD1 3.21Å; S3607-L3611 WeakPolarHBondContact O-CG 3.4Å; S3607-L3611 PolarHBondContact O-N 3.15Å; S3607-R3647 PolarHBondContact OG-NH1 3.21Å; S3607-R3647 PolarHBondContact OG-NH2 3.47Å |
| 3608 | D | 92.4 | Very high | 89.7 | Confident | 22 Ų | 22 | 20.3 Ų | 20.3 | 12% | 0.118 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.9 | -35.6 | 178.8 | -75.7 | 1.7 | 0 | 0 | 0 | 113.2 | R3481 K3604 I3606 F3612 R3647 | R3481-D3608 IonicContact CZ-OD2 3.57Å; R3481-D3608 VanDerWaalsContact NH1-CB 3.32Å; R3481-D3608 IonicContact NH1-OD2 2.77Å; R3481-D3608 PolarHBondContact NH1-OD2 3.18Å; K3604-D3608 WeakPolarHBondContact O-CB 3.5Å; K3604-D3608 VanDerWaalsContact O-CG 3.25Å; K3604-D3608 PolarHBondContact O-N 3.35Å; I3606-D3608 VanDerWaalsContact C-N 3.28Å; I3606-D3608 PolarHBondContact O-N 3.2Å; D3608-F3612 VanDerWaalsContact O-CB 3.32Å; D3608-F3612 WeakPolarHBondContact O-CB 3.17Å; D3608-F3612 PolarHBondContact O-N 2.81Å; D3608-R3647 IonicContact OD1-CZ 3.49Å; D3608-R3647 IonicContact OD1-NH2 3.52Å; D3608-R3647 PolarHBondContact OD1-NH2 2.64Å |
| 3609 | I | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.3 | -49.4 | 173.9 | -68.1 | 163.2 | 0 | 0 | 0 | 110.5 | L3476 F3581 P3605 I3606 S3607 F3612 F3613 | L3476-I3609 HydrophobicContact CB-CD1 4.48Å; L3476-I3609 HydrophobicContact CD2-CD1 4.16Å; L3476-I3609 HydrophobicContact CG-CD1 4.09Å; F3581-I3609 HydrophobicContact CE1-CG2 4.23Å; F3581-I3609 HydrophobicContact CZ-CG2 4.25Å; P3605-I3609 VanDerWaalsContact O-CG1 3.32Å; P3605-I3609 WeakPolarHBondContact O-CG1 3.43Å; P3605-I3609 PolarHBondContact O-N 3.22Å; I3606-I3609 PolarHBondContact O-N 2.86Å; I3606-I3609 VanDerWaalsContact O-N 3.15Å; S3607-I3609 VanDerWaalsContact C-N 3.32Å; S3607-I3609 PolarHBondContact O-N 3.1Å; I3609-F3612 WeakPolarHBondContact O-CB 3.37Å; I3609-F3612 PolarHBondContact O-N 2.95Å; I3609-F3613 HydrophobicContact CG2-CD2 4.09Å; I3609-F3613 HydrophobicContact CG2-CE2 4.06Å; I3609-F3613 WeakPolarHBondContact O-CD2 3.21Å; I3609-F3613 PolarHBondContact O-N 2.57Å |
| 3610 | L | 92.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.6 | -44.2 | -175.8 | -65.2 | 178.2 | 0 | 0 | 0 | 111.3 | V3590 L3593 T3594 I3606 S3607 F3612 F3613 S3614 F3620 I3624 L3644 | V3590-L3610 HydrophobicContact CG2-CD2 4.43Å; L3593-L3610 HydrophobicContact CD1-CD2 4.07Å; T3594-L3610 HydrophobicContact CG2-CD1 3.86Å; I3606-L3610 HydrophobicContact CG2-CD1 3.86Å; I3606-L3610 HydrophobicContact CG2-CG 4.34Å; I3606-L3610 WeakPolarHBondContact O-CG 3.42Å; I3606-L3610 PolarHBondContact O-N 2.72Å; S3607-L3610 PolarHBondContact O-N 3.41Å; L3610-F3612 VanDerWaalsContact C-N 3.32Å; L3610-F3612 PolarHBondContact O-N 3.45Å; L3610-F3613 PolarHBondContact O-N 3.47Å; L3610-S3614 WeakPolarHBondContact O-CB 3.36Å; L3610-S3614 PolarHBondContact O-N 3.08Å; L3610-S3614 PolarHBondContact O-OG 3.47Å; L3610-F3620 HydrophobicContact CD2-CE1 4.33Å; L3610-F3620 HydrophobicContact CD2-CZ 4.29Å; L3610-I3624 HydrophobicContact CB-CD1 3.98Å; L3610-I3624 HydrophobicContact CD2-CD1 4.11Å; L3610-I3624 HydrophobicContact CD2-CG1 4.42Å; L3610-I3624 HydrophobicContact CG-CD1 4.5Å; L3610-L3644 HydrophobicContact CD1-CD1 4.22Å; L3610-L3644 HydrophobicContact CD1-CD2 3.84Å |
| 3611 | L | 92.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.4 | -35.9 | 178 | -63.4 | 168.5 | 0 | 0 | 0 | 112.1 | Y3563 S3607 F3613 S3614 Y3615 R3647 L3648 L3651 | Y3563-L3611 HydrophobicContact CD1-CB 3.9Å; Y3563-L3611 HydrophobicContact CD1-CD1 4.37Å; Y3563-L3611 HydrophobicContact CD2-CB 4Å; Y3563-L3611 HydrophobicContact CE1-CB 3.63Å; Y3563-L3611 HydrophobicContact CE1-CD1 3.56Å; Y3563-L3611 HydrophobicContact CE1-CG 4.2Å; Y3563-L3611 HydrophobicContact CE2-CB 3.75Å; Y3563-L3611 HydrophobicContact CG-CB 4.09Å; S3607-L3611 VanDerWaalsContact O-CB 3.31Å; S3607-L3611 WeakPolarHBondContact O-CB 3.44Å; S3607-L3611 WeakPolarHBondContact O-CD1 3.21Å; S3607-L3611 WeakPolarHBondContact O-CG 3.4Å; S3607-L3611 PolarHBondContact O-N 3.15Å; L3611-F3613 VanDerWaalsContact C-N 3.35Å; L3611-F3613 PolarHBondContact O-N 3.44Å; L3611-S3614 PolarHBondContact O-N 2.73Å; L3611-Y3615 PolarHBondContact O-N 3.24Å; L3611-Y3615 VanDerWaalsContact O-N 3.17Å; L3611-R3647 HydrophobicContact CD1-CB 4.18Å; L3611-R3647 WeakPolarHBondContact CD2-O 3.22Å; L3611-L3648 HydrophobicContact CD2-CB 4.33Å; L3611-L3648 HydrophobicContact CD2-CD1 4.18Å; L3611-L3651 HydrophobicContact CB-CD1 4.29Å; L3611-L3651 HydrophobicContact CD2-CD1 3.4Å; L3611-L3651 VanDerWaalsContact CD2-CD1 3.4Å; L3611-L3651 HydrophobicContact CD2-CG 4.25Å; L3611-L3651 HydrophobicContact CG-CD1 4.44Å |
| 3612 | F | 91.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 175 | 171.2 | -100.5 | 0 | 0 | 0 | 112.4 | V3480 R3481 C3483 I3485 N3561 L3573 D3608 I3609 L3610 | V3480-F3612 HydrophobicContact CG1-CD1 4.02Å; V3480-F3612 HydrophobicContact CG1-CE1 4.01Å; R3481-F3612 HydrophobicContact CB-CD2 4.47Å; R3481-F3612 HydrophobicContact CG-CB 4.04Å; R3481-F3612 HydrophobicContact CG-CD2 4.2Å; R3481-F3612 HydrophobicContact CG-CG 4.02Å; C3483-F3612 WeakPolarHBondContact O-CZ 3.29Å; I3485-F3612 HydrophobicContact CD1-CD1 4.17Å; I3485-F3612 HydrophobicContact CD1-CE1 3.74Å; I3485-F3612 HydrophobicContact CD1-CE2 4.48Å; I3485-F3612 HydrophobicContact CD1-CZ 3.92Å; I3485-F3612 HydrophobicContact CG1-CE1 3.76Å; I3485-F3612 HydrophobicContact CG1-CZ 3.74Å; N3561-F3612 PolarHBondContact ND2-O 3.42Å; L3573-F3612 HydrophobicContact CD1-CE1 4.38Å; L3573-F3612 HydrophobicContact CD1-CZ 4.49Å; D3608-F3612 VanDerWaalsContact O-CB 3.32Å; D3608-F3612 WeakPolarHBondContact O-CB 3.17Å; D3608-F3612 PolarHBondContact O-N 2.81Å; I3609-F3612 WeakPolarHBondContact O-CB 3.37Å; I3609-F3612 PolarHBondContact O-N 2.95Å; L3610-F3612 VanDerWaalsContact C-N 3.32Å; L3610-F3612 PolarHBondContact O-N 3.45Å |
| 3613 | F | 90.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -80.4 | -24.8 | 178 | -75.7 | -66.8 | 0 | 0 | 0 | 113.8 | V3480 I3485 L3573 F3581 F3582 I3609 L3610 L3611 N3617 F3620 | V3480-F3613 HydrophobicContact CG1-CE2 3.54Å; V3480-F3613 HydrophobicContact CG1-CZ 3.61Å; I3485-F3613 HydrophobicContact CD1-CD1 4.02Å; L3573-F3613 HydrophobicContact CD2-CE1 3.68Å; L3573-F3613 HydrophobicContact CD2-CZ 3.86Å; F3581-F3613 HydrophobicContact CB-CD1 4.31Å; F3581-F3613 HydrophobicContact CB-CE1 3.97Å; F3581-F3613 HydrophobicContact CB-CE2 4.29Å; F3581-F3613 HydrophobicContact CB-CZ 3.96Å; F3581-F3613 AromaticContact CD1-CD2 3.79Å; F3581-F3613 HydrophobicContact CD1-CD2 3.79Å; F3581-F3613 AromaticContact CD1-CE2 3.56Å; F3581-F3613 HydrophobicContact CD1-CE2 3.56Å; F3581-F3613 HydrophobicContact CD1-CG 4.46Å; F3581-F3613 HydrophobicContact CD1-CZ 4.06Å; F3581-F3613 HydrophobicContact CD2-CE1 4.22Å; F3581-F3613 AromaticContact CD2-CE2 3.61Å; F3581-F3613 HydrophobicContact CD2-CE2 3.61Å; F3581-F3613 AromaticContact CD2-CZ 3.39Å; F3581-F3613 HydrophobicContact CD2-CZ 3.39Å; F3581-F3613 HydrophobicContact CE1-CD2 4.02Å; F3581-F3613 AromaticContact CE1-CE2 3.64Å; F3581-F3613 HydrophobicContact CE1-CE2 3.64Å; F3581-F3613 HydrophobicContact CE1-CZ 4.42Å; F3581-F3613 AromaticContact CE2-CE2 3.67Å; F3581-F3613 HydrophobicContact CE2-CE2 3.67Å; F3581-F3613 AromaticContact CE2-CZ 3.8Å; F3581-F3613 HydrophobicContact CE2-CZ 3.8Å; F3581-F3613 HydrophobicContact CG-CD2 4.09Å; F3581-F3613 HydrophobicContact CG-CE1 4.07Å; F3581-F3613 AromaticContact CG-CE2 3.54Å; F3581-F3613 HydrophobicContact CG-CE2 3.54Å; F3581-F3613 AromaticContact CG-CZ 3.53Å; F3581-F3613 HydrophobicContact CG-CZ 3.53Å; F3581-F3613 HydrophobicContact CZ-CD2 4.49Å; F3581-F3613 AromaticContact CZ-CE2 3.69Å; F3581-F3613 HydrophobicContact CZ-CE2 3.69Å; F3581-F3613 HydrophobicContact CZ-CZ 4.3Å; F3582-F3613 HydrophobicContact CE1-CD1 4.16Å; F3582-F3613 HydrophobicContact CE2-CD1 4.24Å; F3582-F3613 HydrophobicContact CE2-CE1 4.16Å; F3582-F3613 AromaticContact CZ-CD1 3.6Å; F3582-F3613 HydrophobicContact CZ-CD1 3.6Å; F3582-F3613 AromaticContact CZ-CE1 3.99Å; F3582-F3613 HydrophobicContact CZ-CE1 3.99Å; I3609-F3613 HydrophobicContact CG2-CD2 4.09Å; I3609-F3613 HydrophobicContact CG2-CE2 4.06Å; I3609-F3613 WeakPolarHBondContact O-CD2 3.21Å; I3609-F3613 PolarHBondContact O-N 2.57Å; L3610-F3613 PolarHBondContact O-N 3.47Å; L3611-F3613 VanDerWaalsContact C-N 3.35Å; L3611-F3613 PolarHBondContact O-N 3.44Å; F3613-N3617 VanDerWaalsContact O-CB 3.23Å; F3613-N3617 WeakPolarHBondContact O-CB 3.37Å; F3613-F3620 HydrophobicContact CB-CD1 3.43Å; F3613-F3620 VanDerWaalsContact CB-CD1 3.43Å; F3613-F3620 HydrophobicContact CB-CD2 4.43Å; F3613-F3620 HydrophobicContact CB-CE1 3.2Å; F3613-F3620 HydrophobicContact CB-CE2 4.27Å; F3613-F3620 HydrophobicContact CB-CG 4.06Å; F3613-F3620 HydrophobicContact CB-CZ 3.68Å; F3613-F3620 HydrophobicContact CD2-CZ 4.34Å; F3613-F3620 HydrophobicContact CG-CE1 4.2Å; F3613-F3620 HydrophobicContact CG-CZ 4.23Å |
| 3614 | S | 89.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -77.1 | -24.9 | 178.5 | -67.6 | 0 | 0 | 0 | 0 | 114.5 | L3610 L3611 E3616 N3617 S3621 I3624 R3659 | L3610-S3614 WeakPolarHBondContact O-CB 3.36Å; L3610-S3614 PolarHBondContact O-N 3.08Å; L3610-S3614 PolarHBondContact O-OG 3.47Å; L3611-S3614 PolarHBondContact O-N 2.73Å; S3614-E3616 PolarHBondContact O-N 3.37Å; S3614-N3617 PolarHBondContact O-N 2.93Å; S3614-N3617 VanDerWaalsContact O-N 3.1Å; S3614-S3621 PolarHBondContact O-OG 2.8Å; S3614-I3624 WeakPolarHBondContact OG-CD1 3.23Å; S3614-R3659 PolarHBondContact O-NH2 3.13Å |
| 3615 | Y | 89.6 | Confident | 90.1 | Very high | 14 Ų | 14 | 13.9 Ų | 13.9 | 6% | 0.055 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 120 | -178.3 | -174.4 | -94.4 | 0 | 0 | 0 | 111.5 | Q3559 N3561 P3562 L3611 N3617 L3651 D3653 | Q3559-Y3615 WeakPolarHBondContact CB-OH 3.36Å; N3561-Y3615 HydrophobicContact CB-CD1 3.75Å; N3561-Y3615 HydrophobicContact CB-CE1 4.14Å; N3561-Y3615 HydrophobicContact CB-CG 4.3Å; P3562-Y3615 VanDerWaalsContact CD-CD2 3.46Å; P3562-Y3615 HydrophobicContact CG-CD2 4.08Å; P3562-Y3615 HydrophobicContact CG-CE2 3.97Å; L3611-Y3615 PolarHBondContact O-N 3.24Å; L3611-Y3615 VanDerWaalsContact O-N 3.17Å; Y3615-N3617 PolarHBondContact O-N 3.41Å; Y3615-N3617 VanDerWaalsContact O-N 3.14Å; Y3615-L3651 HydrophobicContact CD2-CD2 3.54Å; Y3615-L3651 HydrophobicContact CE2-CD2 4.41Å; Y3615-L3651 HydrophobicContact CG-CD2 4.34Å; Y3615-D3653 HydrophobicContact CD2-CB 3.97Å; Y3615-D3653 HydrophobicContact CE2-CB 3.68Å |
| 3616 | E | 86.9 | Confident | 89.9 | Confident | 19 Ų | 19 | 19.4 Ų | 19.4 | 9% | 0.089 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 27.1 | -176.2 | -63.5 | -70.5 | 163.9 | 0 | 0 | 113.8 | N3491 S3614 D3653 S3654 | N3491-E3616 PolarHBondContact N-O 3.39Å; S3614-E3616 PolarHBondContact O-N 3.37Å; E3616-D3653 HydrophobicContact CG-CB 4.29Å; E3616-D3653 PolarHBondContact N-OD2 3.42Å; E3616-D3653 WeakPolarHBondContact OE1-CB 3.5Å; E3616-S3654 WeakPolarHBondContact OE1-CB 3.28Å; E3616-S3654 PolarHBondContact OE1-N 3.17Å; E3616-S3654 PolarHBondContact OE1-OG 3.15Å; E3616-S3654 PolarHBondContact OE2-OG 3.03Å |
| 3617 | N | 87.7 | Confident | 89.6 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | trans | -127.6 | 101.9 | 178.7 | -166.1 | -31 | 0 | 0 | 0 | 112.4 | Y3489 F3582 F3613 S3614 Y3615 N3619 F3620 S3621 | Y3489-N3617 PolarHBondContact O-ND2 3.22Å; F3582-N3617 WeakPolarHBondContact CE1-ND2 3.24Å; F3613-N3617 VanDerWaalsContact O-CB 3.23Å; F3613-N3617 WeakPolarHBondContact O-CB 3.37Å; S3614-N3617 PolarHBondContact O-N 2.93Å; S3614-N3617 VanDerWaalsContact O-N 3.1Å; Y3615-N3617 PolarHBondContact O-N 3.41Å; Y3615-N3617 VanDerWaalsContact O-N 3.14Å; N3617-N3619 PolarHBondContact OD1-N 3.37Å; N3617-F3620 HydrophobicContact CB-CB 4.21Å; N3617-F3620 PolarHBondContact OD1-N 3.33Å; N3617-F3620 VanDerWaalsContact OD1-N 3.11Å; N3617-S3621 VanDerWaalsContact O-CB 3.3Å; N3617-S3621 WeakPolarHBondContact O-CB 3.47Å; N3617-S3621 PolarHBondContact O-N 3.06Å; N3617-S3621 PolarHBondContact O-OG 2.98Å | ||
| 3618 | M | 86.4 | Confident | 89.4 | Confident | 44 Ų | 44 | 20.3 Ų | 20.3 | 22% | 0.217 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 179.6 | -170.6 | 59.4 | 68.6 | 0 | 0 | 112.6 | F3620 S3621 D3622 L3655 V3658 L3662 | M3618-F3620 VanDerWaalsContact C-N 3.28Å; M3618-F3620 PolarHBondContact O-N 3.12Å; M3618-S3621 PolarHBondContact O-N 3.43Å; M3618-D3622 VanDerWaalsContact O-CB 3.23Å; M3618-D3622 WeakPolarHBondContact O-CB 3.46Å; M3618-D3622 PolarHBondContact O-N 3.12Å; M3618-L3655 HydrophobicContact CB-CD1 4.18Å; M3618-L3655 HydrophobicContact CE-CB 4.22Å; M3618-L3655 HydrophobicContact CE-CD1 4Å; M3618-L3655 HydrophobicContact CE-CD2 3.53Å; M3618-L3655 HydrophobicContact CE-CG 4.12Å; M3618-V3658 HydrophobicContact CE-CB 3.58Å; M3618-V3658 HydrophobicContact CE-CG1 3.33Å; M3618-V3658 HydrophobicContact CE-CG2 3.77Å; M3618-V3658 HydrophobicContact SD-CB 4.31Å; M3618-V3658 HydrophobicContact SD-CG1 3.66Å; M3618-L3662 HydrophobicContact SD-CD1 3.93Å |
| 3619 | N | 86.2 | Confident | 89.1 | Confident | 112 Ų | 112 | 19.2 Ų | 19.2 | 60% | 0.599 | 9% | 0.09 | S | C | * | . | H | α-helix | trans | -64.1 | -37.5 | -173.5 | -66 | -17 | 0 | 0 | 0 | 111.4 | N3491 N3617 L3623 | N3491-N3619 PolarHBondContact ND2-ND2 3.4Å; N3617-N3619 PolarHBondContact OD1-N 3.37Å; N3619-L3623 PolarHBondContact O-N 3.01Å |
| 3620 | F | 88.9 | Confident | 88.8 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 2% | 0.022 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -77.5 | -38.8 | 177.9 | -161.4 | -100.3 | 0 | 0 | 0 | 112.2 | F3581 V3590 L3610 F3613 N3617 M3618 D3622 L3623 I3624 | F3581-F3620 HydrophobicContact CB-CE2 4.4Å; F3581-F3620 HydrophobicContact CD1-CE2 4.13Å; F3581-F3620 HydrophobicContact CD1-CZ 4.06Å; F3581-F3620 WeakPolarHBondContact O-CD2 3.18Å; F3581-F3620 WeakPolarHBondContact O-CE2 3.45Å; V3590-F3620 HydrophobicContact CG2-CE2 4.03Å; V3590-F3620 HydrophobicContact CG2-CZ 3.91Å; L3610-F3620 HydrophobicContact CD2-CE1 4.33Å; L3610-F3620 HydrophobicContact CD2-CZ 4.29Å; F3613-F3620 HydrophobicContact CB-CD1 3.43Å; F3613-F3620 VanDerWaalsContact CB-CD1 3.43Å; F3613-F3620 HydrophobicContact CB-CD2 4.43Å; F3613-F3620 HydrophobicContact CB-CE1 3.2Å; F3613-F3620 HydrophobicContact CB-CE2 4.27Å; F3613-F3620 HydrophobicContact CB-CG 4.06Å; F3613-F3620 HydrophobicContact CB-CZ 3.68Å; F3613-F3620 HydrophobicContact CD2-CZ 4.34Å; F3613-F3620 HydrophobicContact CG-CE1 4.2Å; F3613-F3620 HydrophobicContact CG-CZ 4.23Å; N3617-F3620 HydrophobicContact CB-CB 4.21Å; N3617-F3620 PolarHBondContact OD1-N 3.33Å; N3617-F3620 VanDerWaalsContact OD1-N 3.11Å; M3618-F3620 VanDerWaalsContact C-N 3.28Å; M3618-F3620 PolarHBondContact O-N 3.12Å; F3620-D3622 VanDerWaalsContact C-N 3.31Å; F3620-D3622 PolarHBondContact O-N 3.29Å; F3620-L3623 PolarHBondContact O-N 2.74Å; F3620-I3624 HydrophobicContact CD1-CD1 3.44Å; F3620-I3624 VanDerWaalsContact CD1-CD1 3.44Å; F3620-I3624 HydrophobicContact CD1-CG1 4.27Å; F3620-I3624 HydrophobicContact CE1-CD1 3.22Å; F3620-I3624 HydrophobicContact CE1-CG1 4.05Å; F3620-I3624 HydrophobicContact CG-CD1 4.48Å; F3620-I3624 HydrophobicContact CZ-CD1 4.12Å; F3620-I3624 WeakPolarHBondContact O-CG1 3.41Å; F3620-I3624 PolarHBondContact O-N 3.27Å; F3620-I3624 VanDerWaalsContact O-N 3.08Å |
| 3621 | S | 89.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 173.7 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | S3614 N3617 M3618 I3624 L3625 R3659 | S3614-S3621 PolarHBondContact O-OG 2.8Å; N3617-S3621 VanDerWaalsContact O-CB 3.3Å; N3617-S3621 WeakPolarHBondContact O-CB 3.47Å; N3617-S3621 PolarHBondContact O-N 3.06Å; N3617-S3621 PolarHBondContact O-OG 2.98Å; M3618-S3621 PolarHBondContact O-N 3.43Å; S3621-I3624 PolarHBondContact O-N 2.73Å; S3621-L3625 WeakPolarHBondContact O-CB 3.42Å; S3621-L3625 VanDerWaalsContact O-CG 3.29Å; S3621-L3625 WeakPolarHBondContact O-CG 3.34Å; S3621-L3625 PolarHBondContact O-N 3.46Å; S3621-R3659 PolarHBondContact OG-NE 2.68Å; S3621-R3659 PolarHBondContact OG-NH2 3.05Å |
| 3622 | D | 89.4 | Confident | 87.8 | Confident | 43 Ų | 43 | 25 Ų | 25 | 23% | 0.23 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.8 | -49 | 176.1 | -173.7 | 65.8 | 0 | 0 | 0 | 112.1 | M3618 F3620 I3624 L3625 R3626 Y3666 | M3618-D3622 VanDerWaalsContact O-CB 3.23Å; M3618-D3622 WeakPolarHBondContact O-CB 3.46Å; M3618-D3622 PolarHBondContact O-N 3.12Å; F3620-D3622 VanDerWaalsContact C-N 3.31Å; F3620-D3622 PolarHBondContact O-N 3.29Å; D3622-I3624 PolarHBondContact O-N 2.76Å; D3622-L3625 PolarHBondContact O-N 3.26Å; D3622-R3626 WeakPolarHBondContact O-CG 3.48Å; D3622-R3626 PolarHBondContact O-N 3.3Å; D3622-Y3666 VanDerWaalsContact CG-OH 3.23Å; D3622-Y3666 WeakPolarHBondContact OD1-CE2 3.3Å; D3622-Y3666 VanDerWaalsContact OD1-CZ 3.29Å; D3622-Y3666 PolarHBondContact OD1-OH 3.18Å; D3622-Y3666 PolarHBondContact OD2-OH 3.38Å |
| 3623 | L | 89 | Confident | 87.1 | Confident | 19 Ų | 19 | 26.7 Ų | 26.7 | 10% | 0.099 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 177.6 | 177.8 | 64.1 | 0 | 0 | 0 | 112.3 | S3586 E3587 V3590 N3619 F3620 R3626 E3627 | S3586-L3623 VanDerWaalsContact OG-CD2 3.24Å; S3586-L3623 WeakPolarHBondContact OG-CD2 3.14Å; E3587-L3623 HydrophobicContact CB-CD1 4.08Å; E3587-L3623 HydrophobicContact CG-CD1 4.14Å; V3590-L3623 HydrophobicContact CB-CD2 4.38Å; V3590-L3623 HydrophobicContact CG2-CD2 3.93Å; V3590-L3623 HydrophobicContact CG2-CG 4.45Å; N3619-L3623 PolarHBondContact O-N 3.01Å; F3620-L3623 PolarHBondContact O-N 2.74Å; L3623-R3626 PolarHBondContact O-N 2.85Å; L3623-E3627 PolarHBondContact O-N 3.26Å; L3623-E3627 VanDerWaalsContact O-N 3.15Å |
| 3624 | I | 90.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.4 | -43 | 179.7 | -67 | 163.5 | 0 | 0 | 0 | 110.8 | V3590 L3610 S3614 F3620 S3621 D3622 R3626 E3627 L3628 L3648 | V3590-I3624 HydrophobicContact CG1-CG1 3.91Å; V3590-I3624 HydrophobicContact CG2-CG1 4.43Å; L3610-I3624 HydrophobicContact CB-CD1 3.98Å; L3610-I3624 HydrophobicContact CD2-CD1 4.11Å; L3610-I3624 HydrophobicContact CD2-CG1 4.42Å; L3610-I3624 HydrophobicContact CG-CD1 4.5Å; S3614-I3624 WeakPolarHBondContact OG-CD1 3.23Å; F3620-I3624 HydrophobicContact CD1-CD1 3.44Å; F3620-I3624 VanDerWaalsContact CD1-CD1 3.44Å; F3620-I3624 HydrophobicContact CD1-CG1 4.27Å; F3620-I3624 HydrophobicContact CE1-CD1 3.22Å; F3620-I3624 HydrophobicContact CE1-CG1 4.05Å; F3620-I3624 HydrophobicContact CG-CD1 4.48Å; F3620-I3624 HydrophobicContact CZ-CD1 4.12Å; F3620-I3624 WeakPolarHBondContact O-CG1 3.41Å; F3620-I3624 PolarHBondContact O-N 3.27Å; F3620-I3624 VanDerWaalsContact O-N 3.08Å; S3621-I3624 PolarHBondContact O-N 2.73Å; D3622-I3624 PolarHBondContact O-N 2.76Å; I3624-R3626 VanDerWaalsContact C-N 3.34Å; I3624-R3626 PolarHBondContact O-N 3.2Å; I3624-E3627 PolarHBondContact O-N 3.34Å; I3624-L3628 HydrophobicContact CG2-CD1 3.59Å; I3624-L3628 HydrophobicContact CG2-CG 3.87Å; I3624-L3628 WeakPolarHBondContact O-CB 3.32Å; I3624-L3628 VanDerWaalsContact O-CG 3.31Å; I3624-L3628 WeakPolarHBondContact O-CG 3.46Å; I3624-L3628 PolarHBondContact O-N 2.95Å; I3624-L3648 HydrophobicContact CB-CD2 4.23Å; I3624-L3648 HydrophobicContact CG2-CD2 3.65Å |
| 3625 | L | 90.4 | Very high | 85 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 179.2 | -76.2 | 169.8 | 0 | 0 | 0 | 111.6 | S3621 D3622 E3627 L3628 V3629 L3645 L3648 L3649 R3659 L3662 Y3666 | S3621-L3625 WeakPolarHBondContact O-CB 3.42Å; S3621-L3625 VanDerWaalsContact O-CG 3.29Å; S3621-L3625 WeakPolarHBondContact O-CG 3.34Å; S3621-L3625 PolarHBondContact O-N 3.46Å; D3622-L3625 PolarHBondContact O-N 3.26Å; L3625-E3627 VanDerWaalsContact C-N 3.33Å; L3625-E3627 PolarHBondContact O-N 3Å; L3625-L3628 PolarHBondContact O-N 2.86Å; L3625-V3629 WeakPolarHBondContact O-CB 3.09Å; L3625-V3629 VanDerWaalsContact O-CG2 3.29Å; L3625-V3629 WeakPolarHBondContact O-CG2 3.31Å; L3625-V3629 PolarHBondContact O-N 3.42Å; L3625-L3645 HydrophobicContact CD2-CD1 3.76Å; L3625-L3648 HydrophobicContact CD2-CD2 3.77Å; L3625-L3648 HydrophobicContact CG-CD2 3.95Å; L3625-L3649 HydrophobicContact CD2-CD2 4.44Å; L3625-R3659 HydrophobicContact CD1-CB 3.95Å; L3625-R3659 HydrophobicContact CD1-CG 4.19Å; L3625-L3662 HydrophobicContact CD1-CB 3.91Å; L3625-L3662 HydrophobicContact CD1-CD1 4.36Å; L3625-Y3666 HydrophobicContact CB-CD2 4.31Å; L3625-Y3666 HydrophobicContact CB-CE2 4.49Å |
| 3626 | R | 87.7 | Confident | 83.8 | Confident | 119 Ų | 119 | 39.6 Ų | 39.6 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 175.4 | -70.1 | 175.1 | 72.6 | -118.1 | -3.9 | 111.8 | D3622 L3623 I3624 Y3630 Y3666 | D3622-R3626 WeakPolarHBondContact O-CG 3.48Å; D3622-R3626 PolarHBondContact O-N 3.3Å; L3623-R3626 PolarHBondContact O-N 2.85Å; I3624-R3626 VanDerWaalsContact C-N 3.34Å; I3624-R3626 PolarHBondContact O-N 3.2Å; R3626-Y3630 WeakPolarHBondContact O-CB 3.45Å; R3626-Y3630 PolarHBondContact O-N 3.17Å; R3626-Y3630 VanDerWaalsContact O-N 3.08Å; R3626-Y3666 HydrophobicContact CG-CD1 4.07Å; R3626-Y3666 HydrophobicContact CG-CD2 3.86Å; R3626-Y3666 HydrophobicContact CG-CE1 3.72Å; R3626-Y3666 HydrophobicContact CG-CE2 3.47Å; R3626-Y3666 VanDerWaalsContact CG-CE2 3.47Å; R3626-Y3666 HydrophobicContact CG-CG 4.15Å; R3626-Y3666 VanDerWaalsContact CG-CZ 3.4Å |
| 3627 | E | 86.9 | Confident | 83.3 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.9 | -35.1 | -179.2 | -168.1 | 63.7 | -154.2 | 0 | 0 | 112.8 | V3590 K3591 T3594 L3623 I3624 L3625 Y3630 S3631 | V3590-E3627 HydrophobicContact CG1-CB 4.21Å; V3590-E3627 HydrophobicContact CG1-CG 4.38Å; K3591-E3627 HydrophobicContact CB-CG 4.32Å; K3591-E3627 VanDerWaalsContact CG-OE1 3.25Å; K3591-E3627 WeakPolarHBondContact CG-OE1 3.4Å; T3594-E3627 WeakPolarHBondContact OG1-CG 3.48Å; L3623-E3627 PolarHBondContact O-N 3.26Å; L3623-E3627 VanDerWaalsContact O-N 3.15Å; I3624-E3627 PolarHBondContact O-N 3.34Å; L3625-E3627 VanDerWaalsContact C-N 3.33Å; L3625-E3627 PolarHBondContact O-N 3Å; E3627-Y3630 PolarHBondContact O-N 3.26Å; E3627-S3631 WeakPolarHBondContact O-CB 3.13Å; E3627-S3631 PolarHBondContact O-N 3.05Å; E3627-S3631 PolarHBondContact O-OG 3.33Å |
| 3628 | L | 88.3 | Confident | 83 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | 174.9 | -72.5 | 176.6 | 0 | 0 | 0 | 111.5 | T3594 I3624 L3625 Y3630 S3631 I3632 V3641 L3644 L3645 L3648 | T3594-L3628 HydrophobicContact CG2-CD2 4.08Å; I3624-L3628 HydrophobicContact CG2-CD1 3.59Å; I3624-L3628 HydrophobicContact CG2-CG 3.87Å; I3624-L3628 WeakPolarHBondContact O-CB 3.32Å; I3624-L3628 VanDerWaalsContact O-CG 3.31Å; I3624-L3628 WeakPolarHBondContact O-CG 3.46Å; I3624-L3628 PolarHBondContact O-N 2.95Å; L3625-L3628 PolarHBondContact O-N 2.86Å; L3628-Y3630 VanDerWaalsContact C-N 3.28Å; L3628-Y3630 PolarHBondContact O-N 2.73Å; L3628-S3631 PolarHBondContact O-N 3.27Å; L3628-S3631 VanDerWaalsContact O-N 3.13Å; L3628-I3632 WeakPolarHBondContact O-CG1 3.37Å; L3628-I3632 PolarHBondContact O-N 3.08Å; L3628-V3641 HydrophobicContact CD2-CG1 4.16Å; L3628-L3644 HydrophobicContact CD1-CG 4.41Å; L3628-L3644 HydrophobicContact CD2-CD2 3.79Å; L3628-L3644 HydrophobicContact CD2-CG 4.14Å; L3628-L3645 HydrophobicContact CD1-CB 4.14Å; L3628-L3645 HydrophobicContact CD1-CD1 3.94Å; L3628-L3648 HydrophobicContact CD1-CD2 3.96Å |
| 3629 | V | 86.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | 173.9 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | L3625 I3632 L3663 V3670 | L3625-V3629 WeakPolarHBondContact O-CB 3.09Å; L3625-V3629 VanDerWaalsContact O-CG2 3.29Å; L3625-V3629 WeakPolarHBondContact O-CG2 3.31Å; L3625-V3629 PolarHBondContact O-N 3.42Å; V3629-I3632 PolarHBondContact O-N 3.36Å; V3629-L3663 HydrophobicContact CG2-CD1 3.84Å; V3629-V3670 HydrophobicContact CG1-CG2 4.27Å |
| 3630 | Y | 84.3 | Confident | 82.8 | Confident | 103 Ų | 103 | 37 Ų | 37 | 40% | 0.404 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 172.6 | -177.2 | -101.4 | 0 | 0 | 0 | 112.7 | R3626 E3627 L3628 I3632 L3633 H3634 | R3626-Y3630 WeakPolarHBondContact O-CB 3.45Å; R3626-Y3630 PolarHBondContact O-N 3.17Å; R3626-Y3630 VanDerWaalsContact O-N 3.08Å; E3627-Y3630 PolarHBondContact O-N 3.26Å; L3628-Y3630 VanDerWaalsContact C-N 3.28Å; L3628-Y3630 PolarHBondContact O-N 2.73Å; Y3630-I3632 VanDerWaalsContact C-N 3.27Å; Y3630-I3632 PolarHBondContact O-N 3.46Å; Y3630-L3633 WeakPolarHBondContact O-CB 3.31Å; Y3630-L3633 PolarHBondContact O-N 3.35Å; Y3630-L3633 VanDerWaalsContact O-N 3.12Å; Y3630-H3634 AromaticContact CE2-CD2 3.91Å; Y3630-H3634 AromaticContact CZ-CD2 3.77Å; Y3630-H3634 PolarHBondContact O-N 3.18Å |
| 3631 | S | 82.3 | Confident | 82.7 | Confident | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.5 | -25.9 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | E3627 L3628 L3633 H3634 P3635 | E3627-S3631 WeakPolarHBondContact O-CB 3.13Å; E3627-S3631 PolarHBondContact O-N 3.05Å; E3627-S3631 PolarHBondContact O-OG 3.33Å; L3628-S3631 PolarHBondContact O-N 3.27Å; L3628-S3631 VanDerWaalsContact O-N 3.13Å; S3631-L3633 VanDerWaalsContact C-N 3.32Å; S3631-H3634 CarbonylContact O-C 3.59Å; S3631-H3634 PolarHBondContact O-N 3.11Å; S3631-P3635 WeakPolarHBondContact O-CA 3.42Å |
| 3632 | I | 82.2 | Confident | 82.5 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.4 | -33.3 | 172.2 | -71.8 | 166.5 | 0 | 0 | 0 | 111.5 | L3628 V3629 Y3630 H3634 L3638 V3641 L3642 L3645 L3672 V3691 | L3628-I3632 WeakPolarHBondContact O-CG1 3.37Å; L3628-I3632 PolarHBondContact O-N 3.08Å; V3629-I3632 PolarHBondContact O-N 3.36Å; Y3630-I3632 VanDerWaalsContact C-N 3.27Å; Y3630-I3632 PolarHBondContact O-N 3.46Å; I3632-H3634 VanDerWaalsContact C-N 3.34Å; I3632-L3638 HydrophobicContact CG1-CD1 4.49Å; I3632-V3641 HydrophobicContact CG1-CG1 3.88Å; I3632-L3642 HydrophobicContact CD1-CD2 4.38Å; I3632-L3645 HydrophobicContact CD1-CD2 3.85Å; I3632-L3672 HydrophobicContact CG2-CD1 4Å; I3632-L3672 HydrophobicContact CG2-CD2 4.47Å; I3632-V3691 HydrophobicContact CG2-CB 4.5Å; I3632-V3691 HydrophobicContact CG2-CG1 4.03Å; I3632-V3691 HydrophobicContact CG2-CG2 3.58Å |
| 3633 | L | 76.2 | Confident | 82.4 | Confident | 39 Ų | 39 | 39.8 Ų | 39.8 | 20% | 0.204 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.9 | -26.2 | 177.2 | -65.1 | 167.6 | 0 | 0 | 0 | 112.5 | Y3630 S3631 V3670 L3672 L3675 | Y3630-L3633 WeakPolarHBondContact O-CB 3.31Å; Y3630-L3633 PolarHBondContact O-N 3.35Å; Y3630-L3633 VanDerWaalsContact O-N 3.12Å; S3631-L3633 VanDerWaalsContact C-N 3.32Å; L3633-V3670 HydrophobicContact CD1-CB 4.21Å; L3633-V3670 HydrophobicContact CD1-CG1 3.29Å; L3633-L3672 HydrophobicContact CD2-CD1 3.61Å; L3633-L3672 HydrophobicContact CG-CD1 4.33Å; L3633-L3675 HydrophobicContact CD2-CD2 3.46Å; L3633-L3675 VanDerWaalsContact CD2-CD2 3.46Å |
| 3634 | H | 72.8 | Confident | 82.5 | Confident | 123 Ų | 123 | 39 Ų | 39 | 57% | 0.569 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -135.5 | 66.3 | -179.5 | -59.7 | -58.8 | 0 | 0 | 0 | 111.4 | Y3630 S3631 I3632 C3636 | Y3630-H3634 AromaticContact CE2-CD2 3.91Å; Y3630-H3634 AromaticContact CZ-CD2 3.77Å; Y3630-H3634 PolarHBondContact O-N 3.18Å; S3631-H3634 CarbonylContact O-C 3.59Å; S3631-H3634 PolarHBondContact O-N 3.11Å; I3632-H3634 VanDerWaalsContact C-N 3.34Å; H3634-C3636 PolarHBondContact O-N 3.39Å |
| 3635 | P | 64 | Low | 82.4 | Confident | 57 Ų | 57 | 38.9 Ų | 38.9 | 37% | 0.37 | 19% | 0.193 | S | C | . | . | trans | -75.5 | 126 | -172.5 | 28.7 | -32.2 | 0 | 0 | 0 | 111.4 | S3631 L3638 | S3631-P3635 WeakPolarHBondContact O-CA 3.42Å; P3635-L3638 HydrophobicContact CB-CB 3.74Å; P3635-L3638 HydrophobicContact CB-CD1 4.01Å; P3635-L3638 HydrophobicContact CB-CG 4.43Å; P3635-L3638 HydrophobicContact CG-CB 4.18Å; P3635-L3638 HydrophobicContact CG-CD1 4.32Å | ||
| 3636 | C | 64.6 | Low | 82.3 | Confident | 104 Ų | 104 | 41.8 Ų | 41.8 | 70% | 0.703 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -73.6 | -39.9 | 160.6 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | H3634 | H3634-C3636 PolarHBondContact O-N 3.39Š|
| 3637 | D | 75 | Confident | 82.3 | Confident | 44 Ų | 44 | 39.7 Ų | 39.7 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -148.4 | 97.8 | 174.5 | 175.9 | 14.5 | 0 | 0 | 0 | 109.1 | P3600 D3639 S3640 V3641 | P3600-D3637 VanDerWaalsContact CD-OD2 3.22Å; P3600-D3637 WeakPolarHBondContact CD-OD2 3.38Å; D3637-D3639 VanDerWaalsContact C-N 3.34Å; D3637-D3639 PolarHBondContact O-N 3.06Å; D3637-D3639 PolarHBondContact OD1-N 3.03Å; D3637-S3640 PolarHBondContact O-N 3.36Å; D3637-S3640 WeakPolarHBondContact OD2-CB 3.35Å; D3637-S3640 PolarHBondContact OD2-OG 3.2Å; D3637-V3641 WeakPolarHBondContact O-CG2 3.17Å; D3637-V3641 PolarHBondContact O-N 3.27Å |
| 3638 | L | 81.4 | Confident | 82.4 | Confident | 18 Ų | 18 | 39 Ų | 39 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | -172.2 | -176.1 | 60.7 | 0 | 0 | 0 | 112.4 | I3632 P3635 S3640 V3641 L3642 A3687 V3691 | I3632-L3638 HydrophobicContact CG1-CD1 4.49Å; P3635-L3638 HydrophobicContact CB-CB 3.74Å; P3635-L3638 HydrophobicContact CB-CD1 4.01Å; P3635-L3638 HydrophobicContact CB-CG 4.43Å; P3635-L3638 HydrophobicContact CG-CB 4.18Å; P3635-L3638 HydrophobicContact CG-CD1 4.32Å; L3638-S3640 PolarHBondContact O-N 2.65Å; L3638-V3641 PolarHBondContact O-N 3.03Å; L3638-L3642 HydrophobicContact CD1-CD1 4.24Å; L3638-L3642 HydrophobicContact CD1-CD2 4.44Å; L3638-L3642 HydrophobicContact CD1-CG 4.06Å; L3638-L3642 HydrophobicContact CD2-CD1 4.46Å; L3638-L3642 HydrophobicContact CG-CD1 3.89Å; L3638-L3642 HydrophobicContact CG-CG 4.16Å; L3638-L3642 VanDerWaalsContact O-CG 3.31Å; L3638-L3642 WeakPolarHBondContact O-CG 3.45Å; L3638-L3642 PolarHBondContact O-N 3.35Å; L3638-A3687 HydrophobicContact CD2-CB 3.43Å; L3638-A3687 VanDerWaalsContact CD2-CB 3.43Å; L3638-V3691 HydrophobicContact CD1-CG2 4.23Å; L3638-V3691 HydrophobicContact CD2-CG2 4.39Å |
| 3639 | D | 82.2 | Confident | 82.3 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -44.4 | -178.5 | 175.6 | 63.5 | 0 | 0 | 0 | 111.3 | D3637 V3641 L3642 K3643 | D3637-D3639 VanDerWaalsContact C-N 3.34Å; D3637-D3639 PolarHBondContact O-N 3.06Å; D3637-D3639 PolarHBondContact OD1-N 3.03Å; D3639-V3641 PolarHBondContact O-N 3.27Å; D3639-L3642 PolarHBondContact O-N 2.84Å; D3639-K3643 VanDerWaalsContact CG-NZ 3.32Å; D3639-K3643 WeakPolarHBondContact O-CB 3.23Å; D3639-K3643 VanDerWaalsContact O-CG 3.31Å; D3639-K3643 WeakPolarHBondContact O-CG 3.44Å; D3639-K3643 PolarHBondContact O-N 3.34Å; D3639-K3643 WeakPolarHBondContact OD1-CE 3.31Å; D3639-K3643 IonicContact OD1-NZ 2.7Å; D3639-K3643 PolarHBondContact OD1-NZ 2.99Å; D3639-K3643 WeakPolarHBondContact OD2-CE 3.42Å; D3639-K3643 IonicContact OD2-NZ 3.62Å; D3639-K3643 PolarHBondContact OD2-NZ 3.45Å |
| 3640 | S | 86.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.3 | -37.1 | 175.4 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | N3599 L3603 D3637 L3638 L3644 | N3599-S3640 VanDerWaalsContact C-OG 3.28Å; L3603-S3640 WeakPolarHBondContact CD1-O 3.32Å; D3637-S3640 PolarHBondContact O-N 3.36Å; D3637-S3640 WeakPolarHBondContact OD2-CB 3.35Å; D3637-S3640 PolarHBondContact OD2-OG 3.2Å; L3638-S3640 PolarHBondContact O-N 2.65Å; S3640-L3644 WeakPolarHBondContact O-CB 3.34Å; S3640-L3644 PolarHBondContact O-N 3.24Å |
| 3641 | V | 86.9 | Confident | 82.3 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65 | -46.9 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L3598 L3628 I3632 D3637 L3638 D3639 L3644 L3645 | L3598-V3641 HydrophobicContact CD2-CB 4.49Å; L3598-V3641 HydrophobicContact CD2-CG2 3.82Å; L3628-V3641 HydrophobicContact CD2-CG1 4.16Å; I3632-V3641 HydrophobicContact CG1-CG1 3.88Å; D3637-V3641 WeakPolarHBondContact O-CG2 3.17Å; D3637-V3641 PolarHBondContact O-N 3.27Å; L3638-V3641 PolarHBondContact O-N 3.03Å; D3639-V3641 PolarHBondContact O-N 3.27Å; V3641-L3644 PolarHBondContact O-N 2.82Å; V3641-L3645 PolarHBondContact O-N 2.95Å |
| 3642 | L | 86.6 | Confident | 82.2 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 179.2 | -68.3 | 175.9 | 0 | 0 | 0 | 111.4 | I3632 L3638 D3639 L3644 L3645 E3646 Q3690 V3691 L3694 | I3632-L3642 HydrophobicContact CD1-CD2 4.38Å; L3638-L3642 HydrophobicContact CD1-CD1 4.24Å; L3638-L3642 HydrophobicContact CD1-CD2 4.44Å; L3638-L3642 HydrophobicContact CD1-CG 4.06Å; L3638-L3642 HydrophobicContact CD2-CD1 4.46Å; L3638-L3642 HydrophobicContact CG-CD1 3.89Å; L3638-L3642 HydrophobicContact CG-CG 4.16Å; L3638-L3642 VanDerWaalsContact O-CG 3.31Å; L3638-L3642 WeakPolarHBondContact O-CG 3.45Å; L3638-L3642 PolarHBondContact O-N 3.35Å; D3639-L3642 PolarHBondContact O-N 2.84Å; L3642-L3644 VanDerWaalsContact C-N 3.3Å; L3642-L3644 PolarHBondContact O-N 3.47Å; L3642-L3645 WeakPolarHBondContact O-CB 3.29Å; L3642-L3645 PolarHBondContact O-N 3.15Å; L3642-L3645 VanDerWaalsContact O-N 3.15Å; L3642-E3646 WeakPolarHBondContact O-CG 3.11Å; L3642-E3646 PolarHBondContact O-N 3.43Å; L3642-Q3690 HydrophobicContact CD1-CB 3.8Å; L3642-V3691 HydrophobicContact CD2-CG2 4.3Å; L3642-L3694 HydrophobicContact CD2-CD2 3.93Å |
| 3643 | K | 87 | Confident | 82.4 | Confident | 87 Ų | 87 | 45.1 Ų | 45.1 | 38% | 0.378 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.3 | -38.2 | 174.6 | -75.2 | 170.8 | 178.6 | 165.2 | 0 | 112.7 | L3603 D3639 R3647 | L3603-K3643 HydrophobicContact CD2-CB 3.94Å; L3603-K3643 HydrophobicContact CD2-CD 3.96Å; D3639-K3643 VanDerWaalsContact CG-NZ 3.32Å; D3639-K3643 WeakPolarHBondContact O-CB 3.23Å; D3639-K3643 VanDerWaalsContact O-CG 3.31Å; D3639-K3643 WeakPolarHBondContact O-CG 3.44Å; D3639-K3643 PolarHBondContact O-N 3.34Å; D3639-K3643 WeakPolarHBondContact OD1-CE 3.31Å; D3639-K3643 IonicContact OD1-NZ 2.7Å; D3639-K3643 PolarHBondContact OD1-NZ 2.99Å; D3639-K3643 WeakPolarHBondContact OD2-CE 3.42Å; D3639-K3643 IonicContact OD2-NZ 3.62Å; D3639-K3643 PolarHBondContact OD2-NZ 3.45Å; K3643-R3647 VanDerWaalsContact O-CG 3.3Å; K3643-R3647 WeakPolarHBondContact O-CG 3.29Å; K3643-R3647 PolarHBondContact O-N 2.98Å; K3643-R3647 VanDerWaalsContact O-N 3.16Å |
| 3644 | L | 89.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -41.7 | 175.5 | 177 | 58.3 | 0 | 0 | 0 | 111.5 | T3594 L3598 L3603 L3610 L3628 S3640 V3641 L3642 R3647 L3648 | T3594-L3644 HydrophobicContact CG2-CD2 4.11Å; L3598-L3644 HydrophobicContact CD1-CD2 4.33Å; L3598-L3644 HydrophobicContact CD2-CD2 3.88Å; L3603-L3644 HydrophobicContact CD1-CB 4.12Å; L3610-L3644 HydrophobicContact CD1-CD1 4.22Å; L3610-L3644 HydrophobicContact CD1-CD2 3.84Å; L3628-L3644 HydrophobicContact CD1-CG 4.41Å; L3628-L3644 HydrophobicContact CD2-CD2 3.79Å; L3628-L3644 HydrophobicContact CD2-CG 4.14Å; S3640-L3644 WeakPolarHBondContact O-CB 3.34Å; S3640-L3644 PolarHBondContact O-N 3.24Å; V3641-L3644 PolarHBondContact O-N 2.82Å; L3642-L3644 VanDerWaalsContact C-N 3.3Å; L3642-L3644 PolarHBondContact O-N 3.47Å; L3644-R3647 PolarHBondContact O-N 3.48Å; L3644-L3648 PolarHBondContact O-N 3.03Å |
| 3645 | L | 90.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 176.7 | -179 | 56.4 | 0 | 0 | 0 | 111.7 | L3625 L3628 I3632 V3641 L3642 R3647 L3648 L3649 L3663 L3694 | L3625-L3645 HydrophobicContact CD2-CD1 3.76Å; L3628-L3645 HydrophobicContact CD1-CB 4.14Å; L3628-L3645 HydrophobicContact CD1-CD1 3.94Å; I3632-L3645 HydrophobicContact CD1-CD2 3.85Å; V3641-L3645 PolarHBondContact O-N 2.95Å; L3642-L3645 WeakPolarHBondContact O-CB 3.29Å; L3642-L3645 PolarHBondContact O-N 3.15Å; L3642-L3645 VanDerWaalsContact O-N 3.15Å; L3645-R3647 VanDerWaalsContact C-N 3.33Å; L3645-R3647 PolarHBondContact O-N 3.47Å; L3645-L3648 WeakPolarHBondContact O-CB 3.5Å; L3645-L3648 PolarHBondContact O-N 3.37Å; L3645-L3648 VanDerWaalsContact O-N 3.11Å; L3645-L3649 HydrophobicContact CD1-CD1 4.09Å; L3645-L3649 HydrophobicContact CD1-CG 4.14Å; L3645-L3649 HydrophobicContact CG-CD1 4.02Å; L3645-L3649 HydrophobicContact CG-CG 4.49Å; L3645-L3649 WeakPolarHBondContact O-CG 3.34Å; L3645-L3649 PolarHBondContact O-N 2.96Å; L3645-L3663 HydrophobicContact CD1-CD1 4.26Å; L3645-L3663 HydrophobicContact CD2-CD1 4.08Å; L3645-L3694 HydrophobicContact CD2-CD2 3.5Å; L3645-L3694 VanDerWaalsContact CD2-CD2 3.5Å; L3645-L3694 HydrophobicContact CG-CD2 4.12Å |
| 3646 | E | 87 | Confident | 84.4 | Confident | 62 Ų | 62 | 40.9 Ų | 40.9 | 29% | 0.29 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55.5 | -47.1 | 174.6 | -74.9 | -178.3 | 171.1 | 0 | 0 | 111.9 | L3642 L3648 L3649 Q3650 L3694 | L3642-E3646 WeakPolarHBondContact O-CG 3.11Å; L3642-E3646 PolarHBondContact O-N 3.43Å; E3646-L3648 VanDerWaalsContact C-N 3.29Å; E3646-L3648 PolarHBondContact O-N 2.47Å; E3646-L3649 PolarHBondContact O-N 3.03Å; E3646-Q3650 WeakPolarHBondContact O-CB 3.31Å; E3646-Q3650 VanDerWaalsContact O-CG 3.29Å; E3646-Q3650 WeakPolarHBondContact O-CG 3.37Å; E3646-Q3650 PolarHBondContact O-N 2.89Å; E3646-L3694 HydrophobicContact CG-CD1 3.52Å |
| 3647 | R | 87.6 | Confident | 85.2 | Confident | 75 Ų | 75 | 37.4 Ų | 37.4 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63 | -33.7 | 177.9 | -71.8 | 179.4 | 66.6 | 176.7 | -7.6 | 112.9 | S3607 D3608 L3611 K3643 L3644 L3645 | S3607-R3647 PolarHBondContact OG-NH1 3.21Å; S3607-R3647 PolarHBondContact OG-NH2 3.47Å; D3608-R3647 IonicContact OD1-CZ 3.49Å; D3608-R3647 IonicContact OD1-NH2 3.52Å; D3608-R3647 PolarHBondContact OD1-NH2 2.64Å; L3611-R3647 HydrophobicContact CD1-CB 4.18Å; L3611-R3647 WeakPolarHBondContact CD2-O 3.22Å; K3643-R3647 VanDerWaalsContact O-CG 3.3Å; K3643-R3647 WeakPolarHBondContact O-CG 3.29Å; K3643-R3647 PolarHBondContact O-N 2.98Å; K3643-R3647 VanDerWaalsContact O-N 3.16Å; L3644-R3647 PolarHBondContact O-N 3.48Å; L3645-R3647 VanDerWaalsContact C-N 3.33Å; L3645-R3647 PolarHBondContact O-N 3.47Å |
| 3648 | L | 89.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.3 | -34 | 176 | -176.9 | 67.5 | 0 | 0 | 0 | 112.4 | L3611 I3624 L3625 L3628 L3644 L3645 E3646 L3651 | L3611-L3648 HydrophobicContact CD2-CB 4.33Å; L3611-L3648 HydrophobicContact CD2-CD1 4.18Å; I3624-L3648 HydrophobicContact CB-CD2 4.23Å; I3624-L3648 HydrophobicContact CG2-CD2 3.65Å; L3625-L3648 HydrophobicContact CD2-CD2 3.77Å; L3625-L3648 HydrophobicContact CG-CD2 3.95Å; L3628-L3648 HydrophobicContact CD1-CD2 3.96Å; L3644-L3648 PolarHBondContact O-N 3.03Å; L3645-L3648 WeakPolarHBondContact O-CB 3.5Å; L3645-L3648 PolarHBondContact O-N 3.37Å; L3645-L3648 VanDerWaalsContact O-N 3.11Å; E3646-L3648 VanDerWaalsContact C-N 3.29Å; E3646-L3648 PolarHBondContact O-N 2.47Å; L3648-L3651 HydrophobicContact CD1-CD1 4.02Å; L3648-L3651 WeakPolarHBondContact O-CB 3.35Å |
| 3649 | L | 86.4 | Confident | 86 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -79.2 | -26 | 178.4 | -64.1 | 172 | 0 | 0 | 0 | 112.7 | L3625 L3645 E3646 L3651 R3659 M3660 L3663 L3698 | L3625-L3649 HydrophobicContact CD2-CD2 4.44Å; L3645-L3649 HydrophobicContact CD1-CD1 4.09Å; L3645-L3649 HydrophobicContact CD1-CG 4.14Å; L3645-L3649 HydrophobicContact CG-CD1 4.02Å; L3645-L3649 HydrophobicContact CG-CG 4.49Å; L3645-L3649 WeakPolarHBondContact O-CG 3.34Å; L3645-L3649 PolarHBondContact O-N 2.96Å; E3646-L3649 PolarHBondContact O-N 3.03Å; L3649-L3651 VanDerWaalsContact C-N 3.27Å; L3649-L3651 PolarHBondContact O-N 3.45Å; L3649-R3659 HydrophobicContact CD2-CB 4.33Å; L3649-M3660 HydrophobicContact CD2-CG 4.34Å; L3649-L3663 HydrophobicContact CD1-CD2 3.71Å; L3649-L3663 HydrophobicContact CD2-CD2 4.24Å; L3649-L3698 HydrophobicContact CD1-CD1 3.74Å; L3649-L3698 HydrophobicContact CD1-CD2 3.93Å; L3649-L3698 HydrophobicContact CD1-CG 4.46Å |
| 3650 | Q | 85.1 | Confident | 86.1 | Confident | 138 Ų | 138 | 33.4 Ų | 33.4 | 65% | 0.645 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.5 | 176.1 | -71.2 | 175.5 | 3.7 | 0 | 0 | 114.1 | E3646 S3652 | E3646-Q3650 WeakPolarHBondContact O-CB 3.31Å; E3646-Q3650 VanDerWaalsContact O-CG 3.29Å; E3646-Q3650 WeakPolarHBondContact O-CG 3.37Å; E3646-Q3650 PolarHBondContact O-N 2.89Å; Q3650-S3652 PolarHBondContact O-N 3.21Å; Q3650-S3652 VanDerWaalsContact O-N 3.16Å |
| 3651 | L | 85.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -61.9 | 114.3 | 179.2 | -129.1 | 152.9 | 0 | 0 | 0 | 110.4 | Y3563 L3611 Y3615 L3648 L3649 D3653 | Y3563-L3651 HydrophobicContact CE2-CD1 4.44Å; Y3563-L3651 HydrophobicContact CE2-CD2 3.93Å; Y3563-L3651 HydrophobicContact CE2-CG 4.05Å; L3611-L3651 HydrophobicContact CB-CD1 4.29Å; L3611-L3651 HydrophobicContact CD2-CD1 3.4Å; L3611-L3651 VanDerWaalsContact CD2-CD1 3.4Å; L3611-L3651 HydrophobicContact CD2-CG 4.25Å; L3611-L3651 HydrophobicContact CG-CD1 4.44Å; Y3615-L3651 HydrophobicContact CD2-CD2 3.54Å; Y3615-L3651 HydrophobicContact CE2-CD2 4.41Å; Y3615-L3651 HydrophobicContact CG-CD2 4.34Å; L3648-L3651 HydrophobicContact CD1-CD1 4.02Å; L3648-L3651 WeakPolarHBondContact O-CB 3.35Å; L3649-L3651 VanDerWaalsContact C-N 3.27Å; L3649-L3651 PolarHBondContact O-N 3.45Å; L3651-D3653 VanDerWaalsContact C-N 3.31Å; L3651-D3653 HydrophobicContact CD2-CB 4.37Å; L3651-D3653 PolarHBondContact O-N 3.31Å | ||
| 3652 | S | 80.8 | Confident | 85.8 | Confident | 94 Ų | 94 | 39.3 Ų | 39.3 | 66% | 0.657 | 20% | 0.199 | S | C | * | . | trans | -84.6 | 64.8 | -174 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | Q3650 | Q3650-S3652 PolarHBondContact O-N 3.21Å; Q3650-S3652 VanDerWaalsContact O-N 3.16Å | ||
| 3653 | D | 85.1 | Confident | 85.8 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -127.6 | -178.9 | 177.8 | 75.4 | -4.1 | 0 | 0 | 0 | 112.3 | Y3615 E3616 L3651 L3655 K3656 R3659 | Y3615-D3653 HydrophobicContact CD2-CB 3.97Å; Y3615-D3653 HydrophobicContact CE2-CB 3.68Å; E3616-D3653 HydrophobicContact CG-CB 4.29Å; E3616-D3653 PolarHBondContact N-OD2 3.42Å; E3616-D3653 WeakPolarHBondContact OE1-CB 3.5Å; L3651-D3653 VanDerWaalsContact C-N 3.31Å; L3651-D3653 HydrophobicContact CD2-CB 4.37Å; L3651-D3653 PolarHBondContact O-N 3.31Å; D3653-L3655 PolarHBondContact O-N 3.03Å; D3653-L3655 VanDerWaalsContact O-N 3.11Å; D3653-L3655 PolarHBondContact OD1-N 3.42Å; D3653-L3655 VanDerWaalsContact OD1-N 3.09Å; D3653-K3656 PolarHBondContact O-N 2.96Å; D3653-K3656 PolarHBondContact OD1-N 3.01Å; D3653-R3659 IonicContact OD1-CZ 2.73Å; D3653-R3659 IonicContact OD1-NH1 3.27Å; D3653-R3659 PolarHBondContact OD1-NH1 3.29Å; D3653-R3659 IonicContact OD1-NH2 2.98Å; D3653-R3659 PolarHBondContact OD1-NH2 3.43Å; D3653-R3659 IonicContact OD2-CZ 2.69Å; D3653-R3659 IonicContact OD2-NH1 2.68Å; D3653-R3659 PolarHBondContact OD2-NH1 3.07Å; D3653-R3659 IonicContact OD2-NH2 2.64Å; D3653-R3659 PolarHBondContact OD2-NH2 3.35Å |
| 3654 | S | 85.6 | Confident | 85.6 | Confident | 57 Ų | 57 | 34.7 Ų | 34.7 | 40% | 0.399 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.6 | -177.1 | 78.8 | 0 | 0 | 0 | 0 | 114.3 | E3616 | E3616-S3654 WeakPolarHBondContact OE1-CB 3.28Å; E3616-S3654 PolarHBondContact OE1-N 3.17Å; E3616-S3654 PolarHBondContact OE1-OG 3.15Å; E3616-S3654 PolarHBondContact OE2-OG 3.03Å |
| 3655 | L | 85.5 | Confident | 85.3 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -3.2 | -171.8 | -55.1 | -172.6 | 0 | 0 | 0 | 113.7 | M3618 D3653 S3657 V3658 R3659 | M3618-L3655 HydrophobicContact CB-CD1 4.18Å; M3618-L3655 HydrophobicContact CE-CB 4.22Å; M3618-L3655 HydrophobicContact CE-CD1 4Å; M3618-L3655 HydrophobicContact CE-CD2 3.53Å; M3618-L3655 HydrophobicContact CE-CG 4.12Å; D3653-L3655 PolarHBondContact O-N 3.03Å; D3653-L3655 VanDerWaalsContact O-N 3.11Å; D3653-L3655 PolarHBondContact OD1-N 3.42Å; D3653-L3655 VanDerWaalsContact OD1-N 3.09Å; L3655-S3657 PolarHBondContact O-N 3.07Å; L3655-V3658 WeakPolarHBondContact O-CB 3.31Å; L3655-V3658 PolarHBondContact O-N 3.24Å; L3655-R3659 PolarHBondContact O-N 3.41Å |
| 3656 | K | 85.6 | Confident | 85 | Confident | 65 Ų | 65 | 38.6 Ų | 38.6 | 28% | 0.283 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -47.8 | -53.9 | -177.8 | -173 | -176.5 | 173.1 | -159.9 | 0 | 113.1 | D3653 V3658 R3659 M3660 D3702 | D3653-K3656 PolarHBondContact O-N 2.96Å; D3653-K3656 PolarHBondContact OD1-N 3.01Å; K3656-V3658 VanDerWaalsContact C-N 3.26Å; K3656-V3658 PolarHBondContact O-N 2.98Å; K3656-R3659 PolarHBondContact O-N 3.3Å; K3656-M3660 HydrophobicContact CG-CE 4.37Å; K3656-M3660 PolarHBondContact O-N 2.96Å; K3656-D3702 WeakPolarHBondContact CE-OD2 3.32Å; K3656-D3702 IonicContact NZ-OD2 2.74Å; K3656-D3702 PolarHBondContact NZ-OD2 2.99Å |
| 3657 | S | 80.3 | Confident | 84.8 | Confident | 31 Ų | 31 | 35.7 Ų | 35.7 | 22% | 0.217 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.1 | -30.8 | -179.1 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | L3655 R3661 D3704 | L3655-S3657 PolarHBondContact O-N 3.07Å; S3657-R3661 WeakPolarHBondContact O-CG 3.39Å; S3657-R3661 PolarHBondContact O-N 3.27Å; S3657-R3661 PolarHBondContact O-NH1 3.01Å; S3657-R3661 PolarHBondContact OG-NH1 3.34Å; S3657-D3704 VanDerWaalsContact CB-OD2 3.31Å; S3657-D3704 WeakPolarHBondContact CB-OD2 3.42Å |
| 3658 | V | 85.1 | Confident | 84.3 | Confident | 33 Ų | 33 | 34.4 Ų | 34.4 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.2 | -43 | 177.5 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | M3618 L3655 K3656 M3660 R3661 L3662 | M3618-V3658 HydrophobicContact CE-CB 3.58Å; M3618-V3658 HydrophobicContact CE-CG1 3.33Å; M3618-V3658 HydrophobicContact CE-CG2 3.77Å; M3618-V3658 HydrophobicContact SD-CB 4.31Å; M3618-V3658 HydrophobicContact SD-CG1 3.66Å; L3655-V3658 WeakPolarHBondContact O-CB 3.31Å; L3655-V3658 PolarHBondContact O-N 3.24Å; K3656-V3658 VanDerWaalsContact C-N 3.26Å; K3656-V3658 PolarHBondContact O-N 2.98Å; V3658-M3660 PolarHBondContact O-N 2.87Å; V3658-R3661 PolarHBondContact O-N 3.29Å; V3658-R3661 VanDerWaalsContact O-N 3.16Å; V3658-L3662 HydrophobicContact CG1-CD1 4.14Å; V3658-L3662 HydrophobicContact CG1-CG 4.3Å; V3658-L3662 WeakPolarHBondContact O-CG 3.3Å; V3658-L3662 PolarHBondContact O-N 3.44Å |
| 3659 | R | 88.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -39.7 | 176.5 | -68.1 | -168.1 | -165.9 | 94.2 | 5.7 | 111.7 | S3614 S3621 L3625 L3649 D3653 L3655 K3656 L3662 L3663 | S3614-R3659 PolarHBondContact O-NH2 3.13Å; S3621-R3659 PolarHBondContact OG-NE 2.68Å; S3621-R3659 PolarHBondContact OG-NH2 3.05Å; L3625-R3659 HydrophobicContact CD1-CB 3.95Å; L3625-R3659 HydrophobicContact CD1-CG 4.19Å; L3649-R3659 HydrophobicContact CD2-CB 4.33Å; D3653-R3659 IonicContact OD1-CZ 2.73Å; D3653-R3659 IonicContact OD1-NH1 3.27Å; D3653-R3659 PolarHBondContact OD1-NH1 3.29Å; D3653-R3659 IonicContact OD1-NH2 2.98Å; D3653-R3659 PolarHBondContact OD1-NH2 3.43Å; D3653-R3659 IonicContact OD2-CZ 2.69Å; D3653-R3659 IonicContact OD2-NH1 2.68Å; D3653-R3659 PolarHBondContact OD2-NH1 3.07Å; D3653-R3659 IonicContact OD2-NH2 2.64Å; D3653-R3659 PolarHBondContact OD2-NH2 3.35Å; L3655-R3659 PolarHBondContact O-N 3.41Å; K3656-R3659 PolarHBondContact O-N 3.3Å; R3659-L3662 PolarHBondContact O-N 2.77Å; R3659-L3663 PolarHBondContact O-N 2.89Å |
| 3660 | M | 83.7 | Confident | 83.4 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.034 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -47.4 | 175.5 | -68.1 | -176.3 | 169 | 0 | 0 | 111.9 | L3649 K3656 V3658 L3662 L3663 F3664 L3698 D3702 V3705 | L3649-M3660 HydrophobicContact CD2-CG 4.34Å; K3656-M3660 HydrophobicContact CG-CE 4.37Å; K3656-M3660 PolarHBondContact O-N 2.96Å; V3658-M3660 PolarHBondContact O-N 2.87Å; M3660-L3662 VanDerWaalsContact C-N 3.34Å; M3660-L3662 PolarHBondContact O-N 3.21Å; M3660-L3663 WeakPolarHBondContact O-CB 3.43Å; M3660-L3663 PolarHBondContact O-N 3.48Å; M3660-F3664 VanDerWaalsContact O-CD2 3.27Å; M3660-F3664 WeakPolarHBondContact O-CD2 3.49Å; M3660-F3664 PolarHBondContact O-N 2.64Å; M3660-L3698 HydrophobicContact CE-CD2 4.27Å; M3660-D3702 HydrophobicContact CE-CB 3.87Å; M3660-D3702 WeakPolarHBondContact CE-OD2 3.42Å; M3660-D3702 HydrophobicContact SD-CB 3.96Å; M3660-D3702 VanDerWaalsContact SD-CG 3.56Å; M3660-V3705 HydrophobicContact CB-CG2 4.33Å; M3660-V3705 HydrophobicContact CG-CG2 4.41Å; M3660-V3705 HydrophobicContact SD-CG2 3.64Å |
| 3661 | R | 82.3 | Confident | 83 | Confident | 93 Ų | 93 | 40.5 Ų | 40.5 | 35% | 0.351 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 176.1 | -66.4 | -166.9 | -67.3 | -82.4 | 2.2 | 112.4 | S3657 V3658 F3664 S3665 Y3708 | S3657-R3661 WeakPolarHBondContact O-CG 3.39Å; S3657-R3661 PolarHBondContact O-N 3.27Å; S3657-R3661 PolarHBondContact O-NH1 3.01Å; S3657-R3661 PolarHBondContact OG-NH1 3.34Å; V3658-R3661 PolarHBondContact O-N 3.29Å; V3658-R3661 VanDerWaalsContact O-N 3.16Å; R3661-F3664 PolarHBondContact O-N 2.66Å; R3661-S3665 WeakPolarHBondContact O-CB 3.36Å; R3661-S3665 PolarHBondContact O-N 2.95Å; R3661-Y3708 HydrophobicContact CB-CD2 4.19Å; R3661-Y3708 HydrophobicContact CB-CE2 3.99Å; R3661-Y3708 HydrophobicContact CG-CD1 4.21Å; R3661-Y3708 HydrophobicContact CG-CD2 3.39Å; R3661-Y3708 HydrophobicContact CG-CE2 3.7Å; R3661-Y3708 HydrophobicContact CG-CG 3.63Å |
| 3662 | L | 85.3 | Confident | 82.8 | Confident | 35 Ų | 35 | 40.7 Ų | 40.7 | 18% | 0.183 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.5 | -73.3 | 173.9 | 0 | 0 | 0 | 112 | M3618 L3625 V3658 R3659 M3660 F3664 S3665 Y3666 | M3618-L3662 HydrophobicContact SD-CD1 3.93Å; L3625-L3662 HydrophobicContact CD1-CB 3.91Å; L3625-L3662 HydrophobicContact CD1-CD1 4.36Å; V3658-L3662 HydrophobicContact CG1-CD1 4.14Å; V3658-L3662 HydrophobicContact CG1-CG 4.3Å; V3658-L3662 WeakPolarHBondContact O-CG 3.3Å; V3658-L3662 PolarHBondContact O-N 3.44Å; R3659-L3662 PolarHBondContact O-N 2.77Å; M3660-L3662 VanDerWaalsContact C-N 3.34Å; M3660-L3662 PolarHBondContact O-N 3.21Å; L3662-F3664 PolarHBondContact O-N 3.25Å; L3662-S3665 PolarHBondContact O-N 3.2Å; L3662-Y3666 HydrophobicContact CB-CD2 4.26Å; L3662-Y3666 HydrophobicContact CB-CE2 4.01Å; L3662-Y3666 HydrophobicContact CD2-CE2 4.12Å; L3662-Y3666 WeakPolarHBondContact O-CB 3.5Å; L3662-Y3666 WeakPolarHBondContact O-CD2 3.44Å; L3662-Y3666 PolarHBondContact O-N 3.44Å |
| 3663 | L | 86.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.1 | -54 | 175 | 175.1 | 66.3 | 0 | 0 | 0 | 111 | V3629 L3645 L3649 R3659 M3660 S3665 Y3666 S3667 F3695 L3698 | V3629-L3663 HydrophobicContact CG2-CD1 3.84Å; L3645-L3663 HydrophobicContact CD1-CD1 4.26Å; L3645-L3663 HydrophobicContact CD2-CD1 4.08Å; L3649-L3663 HydrophobicContact CD1-CD2 3.71Å; L3649-L3663 HydrophobicContact CD2-CD2 4.24Å; R3659-L3663 PolarHBondContact O-N 2.89Å; M3660-L3663 WeakPolarHBondContact O-CB 3.43Å; M3660-L3663 PolarHBondContact O-N 3.48Å; L3663-S3665 VanDerWaalsContact C-N 3.34Å; L3663-S3665 PolarHBondContact O-N 3.02Å; L3663-Y3666 PolarHBondContact O-N 3.14Å; L3663-S3667 WeakPolarHBondContact O-CB 3.44Å; L3663-S3667 PolarHBondContact O-N 2.87Å; L3663-S3667 PolarHBondContact O-OG 3.15Å; L3663-F3695 HydrophobicContact CD2-CE1 4.13Å; L3663-F3695 HydrophobicContact CG-CE1 4.13Å; L3663-L3698 HydrophobicContact CD2-CD1 3.85Å |
| 3664 | F | 83.2 | Confident | 82.3 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 179.9 | -79.6 | -76.7 | 0 | 0 | 0 | 112.8 | M3660 R3661 L3662 N3668 F3673 F3695 V3705 Y3708 L3715 L3719 | M3660-F3664 VanDerWaalsContact O-CD2 3.27Å; M3660-F3664 WeakPolarHBondContact O-CD2 3.49Å; M3660-F3664 PolarHBondContact O-N 2.64Å; R3661-F3664 PolarHBondContact O-N 2.66Å; L3662-F3664 PolarHBondContact O-N 3.25Å; F3664-N3668 WeakPolarHBondContact O-CB 3.5Å; F3664-N3668 PolarHBondContact O-N 3.23Å; F3664-N3668 VanDerWaalsContact O-N 3.13Å; F3664-F3673 HydrophobicContact CD1-CZ 4.01Å; F3664-F3695 HydrophobicContact CD1-CD1 4.23Å; F3664-F3695 HydrophobicContact CD1-CE1 4.29Å; F3664-F3695 AromaticContact CE1-CD1 3.6Å; F3664-F3695 HydrophobicContact CE1-CD1 3.6Å; F3664-F3695 HydrophobicContact CE1-CE1 4.11Å; F3664-F3695 AromaticContact CZ-CD1 3.91Å; F3664-F3695 HydrophobicContact CZ-CD1 3.91Å; F3664-V3705 HydrophobicContact CE2-CG1 3.6Å; F3664-V3705 HydrophobicContact CE2-CG2 4.18Å; F3664-V3705 HydrophobicContact CZ-CG1 3.74Å; F3664-Y3708 HydrophobicContact CB-CE1 3.72Å; F3664-Y3708 HydrophobicContact CD2-CD1 4.42Å; F3664-Y3708 HydrophobicContact CD2-CE1 4.43Å; F3664-Y3708 HydrophobicContact CG-CE1 4.26Å; F3664-L3715 HydrophobicContact CB-CD2 3.8Å; F3664-L3715 HydrophobicContact CD1-CD2 3.82Å; F3664-L3715 HydrophobicContact CG-CD2 4.06Å; F3664-L3719 HydrophobicContact CE1-CD1 4.18Å |
| 3665 | S | 83.5 | Confident | 81.7 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.4 | -49.9 | 174.6 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | R3661 L3662 L3663 N3668 D3669 | R3661-S3665 WeakPolarHBondContact O-CB 3.36Å; R3661-S3665 PolarHBondContact O-N 2.95Å; L3662-S3665 PolarHBondContact O-N 3.2Å; L3663-S3665 VanDerWaalsContact C-N 3.34Å; L3663-S3665 PolarHBondContact O-N 3.02Å; S3665-N3668 WeakPolarHBondContact O-CB 3.4Å; S3665-N3668 PolarHBondContact O-N 3.31Å; S3665-N3668 VanDerWaalsContact O-N 3.15Å; S3665-D3669 VanDerWaalsContact O-CG 3.26Å; S3665-D3669 PolarHBondContact O-N 3.03Å |
| 3666 | Y | 84.1 | Confident | 81.1 | Confident | 39 Ų | 39 | 43.3 Ų | 43.3 | 15% | 0.153 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.5 | -38.8 | -179.1 | -69.6 | -43.5 | 0 | 0 | 0 | 112.9 | D3622 L3625 R3626 L3662 L3663 N3668 D3669 V3670 | D3622-Y3666 VanDerWaalsContact CG-OH 3.23Å; D3622-Y3666 WeakPolarHBondContact OD1-CE2 3.3Å; D3622-Y3666 VanDerWaalsContact OD1-CZ 3.29Å; D3622-Y3666 PolarHBondContact OD1-OH 3.18Å; D3622-Y3666 PolarHBondContact OD2-OH 3.38Å; L3625-Y3666 HydrophobicContact CB-CD2 4.31Å; L3625-Y3666 HydrophobicContact CB-CE2 4.49Å; R3626-Y3666 HydrophobicContact CG-CD1 4.07Å; R3626-Y3666 HydrophobicContact CG-CD2 3.86Å; R3626-Y3666 HydrophobicContact CG-CE1 3.72Å; R3626-Y3666 HydrophobicContact CG-CE2 3.47Å; R3626-Y3666 VanDerWaalsContact CG-CE2 3.47Å; R3626-Y3666 HydrophobicContact CG-CG 4.15Å; R3626-Y3666 VanDerWaalsContact CG-CZ 3.4Å; L3662-Y3666 HydrophobicContact CB-CD2 4.26Å; L3662-Y3666 HydrophobicContact CB-CE2 4.01Å; L3662-Y3666 HydrophobicContact CD2-CE2 4.12Å; L3662-Y3666 WeakPolarHBondContact O-CB 3.5Å; L3662-Y3666 WeakPolarHBondContact O-CD2 3.44Å; L3662-Y3666 PolarHBondContact O-N 3.44Å; L3663-Y3666 PolarHBondContact O-N 3.14Å; Y3666-N3668 PolarHBondContact O-N 3.1Å; Y3666-D3669 PolarHBondContact O-N 3.24Å; Y3666-V3670 WeakPolarHBondContact O-CG2 3.48Å; Y3666-V3670 PolarHBondContact O-N 2.84Å |
| 3667 | S | 82.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -33.1 | 173.2 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | L3663 L3672 F3695 | L3663-S3667 WeakPolarHBondContact O-CB 3.44Å; L3663-S3667 PolarHBondContact O-N 2.87Å; L3663-S3667 PolarHBondContact O-OG 3.15Å; S3667-L3672 VanDerWaalsContact O-CB 3.28Å; S3667-L3672 WeakPolarHBondContact O-CB 3.29Å; S3667-L3672 PolarHBondContact O-N 3.19Å; S3667-F3695 WeakPolarHBondContact OG-CZ 3.5Å |
| 3668 | N | 77 | Confident | 79.9 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -74.8 | -42.2 | 173.7 | -167.3 | 60.2 | 0 | 0 | 0 | 112.3 | F3664 S3665 Y3666 V3670 D3671 F3673 | F3664-N3668 WeakPolarHBondContact O-CB 3.5Å; F3664-N3668 PolarHBondContact O-N 3.23Å; F3664-N3668 VanDerWaalsContact O-N 3.13Å; S3665-N3668 WeakPolarHBondContact O-CB 3.4Å; S3665-N3668 PolarHBondContact O-N 3.31Å; S3665-N3668 VanDerWaalsContact O-N 3.15Å; Y3666-N3668 PolarHBondContact O-N 3.1Å; N3668-V3670 VanDerWaalsContact C-N 3.34Å; N3668-V3670 PolarHBondContact O-N 2.76Å; N3668-D3671 PolarHBondContact O-N 3.28Å; N3668-F3673 HydrophobicContact CB-CD2 4.15Å; N3668-F3673 HydrophobicContact CB-CE2 4.16Å |
| 3669 | D | 77.9 | Confident | 79 | Confident | 105 Ų | 105 | 43.6 Ų | 43.6 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -67.1 | -30.5 | -177.7 | -69.7 | -23.9 | 0 | 0 | 0 | 113.7 | S3665 Y3666 D3671 | S3665-D3669 VanDerWaalsContact O-CG 3.26Å; S3665-D3669 PolarHBondContact O-N 3.03Å; Y3666-D3669 PolarHBondContact O-N 3.24Å; D3669-D3671 VanDerWaalsContact C-N 3.32Å |
| 3670 | V | 77.9 | Confident | 77.9 | Confident | 68 Ų | 68 | 44 Ų | 44 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 16.7 | 178.7 | -158.1 | 0 | 0 | 0 | 0 | 111.8 | V3629 L3633 Y3666 N3668 L3672 | V3629-V3670 HydrophobicContact CG1-CG2 4.27Å; L3633-V3670 HydrophobicContact CD1-CB 4.21Å; L3633-V3670 HydrophobicContact CD1-CG1 3.29Å; Y3666-V3670 WeakPolarHBondContact O-CG2 3.48Å; Y3666-V3670 PolarHBondContact O-N 2.84Å; N3668-V3670 VanDerWaalsContact C-N 3.34Å; N3668-V3670 PolarHBondContact O-N 2.76Å; V3670-L3672 PolarHBondContact O-N 3.11Å |
| 3671 | D | 78.5 | Confident | 76.6 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 24.2 | -179.7 | -73 | -37.1 | 0 | 0 | 0 | 113.7 | N3668 D3669 F3673 K3674 L3675 | N3668-D3671 PolarHBondContact O-N 3.28Å; D3669-D3671 VanDerWaalsContact C-N 3.32Å; D3671-F3673 PolarHBondContact O-N 2.93Å; D3671-K3674 HydrophobicContact CB-CB 4.18Å; D3671-K3674 WeakPolarHBondContact O-CB 3.3Å; D3671-K3674 PolarHBondContact O-N 3.36Å; D3671-L3675 PolarHBondContact O-N 2.97Å |
| 3672 | L | 80.8 | Confident | 75 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -40.9 | -179 | 178.8 | 66.7 | 0 | 0 | 0 | 110.5 | I3632 L3633 S3667 V3670 K3674 L3675 L3676 V3691 F3695 | I3632-L3672 HydrophobicContact CG2-CD1 4Å; I3632-L3672 HydrophobicContact CG2-CD2 4.47Å; L3633-L3672 HydrophobicContact CD2-CD1 3.61Å; L3633-L3672 HydrophobicContact CG-CD1 4.33Å; S3667-L3672 VanDerWaalsContact O-CB 3.28Å; S3667-L3672 WeakPolarHBondContact O-CB 3.29Å; S3667-L3672 PolarHBondContact O-N 3.19Å; V3670-L3672 PolarHBondContact O-N 3.11Å; L3672-K3674 VanDerWaalsContact C-N 3.32Å; L3672-K3674 PolarHBondContact O-N 3.35Å; L3672-L3675 PolarHBondContact O-N 3.16Å; L3672-L3676 HydrophobicContact CG-CD1 4.24Å; L3672-L3676 WeakPolarHBondContact O-CB 3.45Å; L3672-L3676 VanDerWaalsContact O-CG 3.3Å; L3672-L3676 WeakPolarHBondContact O-CG 3.32Å; L3672-L3676 PolarHBondContact O-N 2.88Å; L3672-V3691 HydrophobicContact CD2-CG1 4.34Å; L3672-F3695 HydrophobicContact CD2-CE2 4.13Å; L3672-F3695 HydrophobicContact CD2-CZ 4.15Å |
| 3673 | F | 79.1 | Confident | 73.3 | Confident | 5 Ų | 5 | 59 Ų | 59 | 2% | 0.022 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -36.1 | 176.8 | -67.9 | -49.5 | 0 | 0 | 0 | 112.8 | F3664 N3668 D3671 L3676 N3677 F3695 L3715 V3718 L3719 I3722 | F3664-F3673 HydrophobicContact CD1-CZ 4.01Å; N3668-F3673 HydrophobicContact CB-CD2 4.15Å; N3668-F3673 HydrophobicContact CB-CE2 4.16Å; D3671-F3673 PolarHBondContact O-N 2.93Å; F3673-L3676 HydrophobicContact CD1-CD1 4.28Å; F3673-N3677 WeakPolarHBondContact O-CB 3.47Å; F3673-N3677 PolarHBondContact O-N 3.3Å; F3673-F3695 HydrophobicContact CE1-CD1 4.43Å; F3673-F3695 HydrophobicContact CE1-CD2 4.45Å; F3673-F3695 HydrophobicContact CE1-CE1 4.25Å; F3673-F3695 HydrophobicContact CE1-CE2 4.28Å; F3673-F3695 HydrophobicContact CE1-CZ 4.18Å; F3673-F3695 HydrophobicContact CZ-CE1 4.15Å; F3673-F3695 HydrophobicContact CZ-CZ 4.32Å; F3673-L3715 HydrophobicContact CD2-CD1 4Å; F3673-L3715 HydrophobicContact CE2-CD1 3.53Å; F3673-L3715 HydrophobicContact CZ-CD1 4.12Å; F3673-V3718 HydrophobicContact CB-CG1 3.73Å; F3673-V3718 HydrophobicContact CG-CG1 4.19Å; F3673-L3719 HydrophobicContact CD1-CD2 4.21Å; F3673-L3719 HydrophobicContact CE1-CD2 3.84Å; F3673-L3719 HydrophobicContact CZ-CD2 4.4Å; F3673-I3722 HydrophobicContact CB-CD1 3.68Å; F3673-I3722 HydrophobicContact CD1-CD1 3.9Å; F3673-I3722 HydrophobicContact CG-CD1 4.16Å; F3673-I3722 VanDerWaalsContact O-CD1 3.3Å; F3673-I3722 WeakPolarHBondContact O-CD1 3.33Å |
| 3674 | K | 75 | Confident | 71.7 | Confident | 147 Ų | 147 | 63.1 Ų | 63.1 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.8 | -40.6 | 175.8 | -171.4 | -179.3 | 178.2 | -176.1 | 0 | 111.3 | D3671 L3672 N3677 S3678 | D3671-K3674 HydrophobicContact CB-CB 4.18Å; D3671-K3674 WeakPolarHBondContact O-CB 3.3Å; D3671-K3674 PolarHBondContact O-N 3.36Å; L3672-K3674 VanDerWaalsContact C-N 3.32Å; L3672-K3674 PolarHBondContact O-N 3.35Å; K3674-N3677 PolarHBondContact O-N 3.38Å; K3674-S3678 PolarHBondContact O-N 2.96Å; K3674-S3678 PolarHBondContact O-OG 3.29Å |
| 3675 | L | 73.5 | Confident | 70.6 | Confident | 73 Ų | 73 | 65.9 Ų | 65.9 | 38% | 0.382 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 175.1 | -175 | 70.3 | 0 | 0 | 0 | 111.7 | L3633 D3671 L3672 S3678 N3679 | L3633-L3675 HydrophobicContact CD2-CD2 3.46Å; L3633-L3675 VanDerWaalsContact CD2-CD2 3.46Å; D3671-L3675 PolarHBondContact O-N 2.97Å; L3672-L3675 PolarHBondContact O-N 3.16Å; L3675-S3678 WeakPolarHBondContact CA-OG 3.41Å; L3675-S3678 PolarHBondContact O-N 3.41Å; L3675-S3678 PolarHBondContact O-OG 2.87Å; L3675-N3679 WeakPolarHBondContact O-CB 3.35Å; L3675-N3679 PolarHBondContact O-N 2.94Å; L3675-N3679 PolarHBondContact O-ND2 2.89Å |
| 3676 | L | 73.7 | Confident | 69.8 | Low | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 172.9 | -73.4 | 171.1 | 0 | 0 | 0 | 110.3 | L3672 F3673 S3678 N3679 F3680 A3688 V3691 | L3672-L3676 HydrophobicContact CG-CD1 4.24Å; L3672-L3676 WeakPolarHBondContact O-CB 3.45Å; L3672-L3676 VanDerWaalsContact O-CG 3.3Å; L3672-L3676 WeakPolarHBondContact O-CG 3.32Å; L3672-L3676 PolarHBondContact O-N 2.88Å; F3673-L3676 HydrophobicContact CD1-CD1 4.28Å; L3676-S3678 PolarHBondContact O-N 3.49Å; L3676-N3679 PolarHBondContact O-N 3.3Å; L3676-F3680 HydrophobicContact CB-CE2 4.13Å; L3676-F3680 WeakPolarHBondContact O-CD2 3.47Å; L3676-F3680 WeakPolarHBondContact O-CE2 3.43Å; L3676-F3680 PolarHBondContact O-N 3.3Å; L3676-F3680 VanDerWaalsContact O-N 3.13Å; L3676-A3688 HydrophobicContact CD2-CB 3.91Å; L3676-V3691 HydrophobicContact CD1-CG1 4.14Å; L3676-V3691 HydrophobicContact CD2-CB 4.16Å; L3676-V3691 HydrophobicContact CD2-CG1 4.11Å |
| 3677 | N | 70.4 | Confident | 68.9 | Low | 43 Ų | 43 | 67.8 Ų | 67.8 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 179.3 | -156.7 | 38 | 0 | 0 | 0 | 112.6 | F3673 K3674 F3680 I3681 I3722 S3725 | F3673-N3677 WeakPolarHBondContact O-CB 3.47Å; F3673-N3677 PolarHBondContact O-N 3.3Å; K3674-N3677 PolarHBondContact O-N 3.38Å; N3677-F3680 PolarHBondContact O-N 2.89Å; N3677-I3681 WeakPolarHBondContact O-CG1 3.49Å; N3677-I3722 HydrophobicContact CB-CG1 3.99Å; N3677-S3725 WeakPolarHBondContact OD1-CB 3.46Å |
| 3678 | S | 70 | Confident | 68.3 | Low | 45 Ų | 45 | 68 Ų | 68 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 176.6 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | K3674 L3675 L3676 F3680 I3681 Y3682 | K3674-S3678 PolarHBondContact O-N 2.96Å; K3674-S3678 PolarHBondContact O-OG 3.29Å; L3675-S3678 WeakPolarHBondContact CA-OG 3.41Å; L3675-S3678 PolarHBondContact O-N 3.41Å; L3675-S3678 PolarHBondContact O-OG 2.87Å; L3676-S3678 PolarHBondContact O-N 3.49Å; S3678-F3680 VanDerWaalsContact C-N 3.3Å; S3678-F3680 PolarHBondContact O-N 3.39Å; S3678-I3681 PolarHBondContact O-N 3.23Å; S3678-Y3682 WeakPolarHBondContact O-CD2 3.47Å |
| 3679 | N | 65.1 | Low | 67.9 | Low | 48 Ų | 48 | 67 Ų | 67 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.8 | -29.6 | -179 | -73.5 | -17.4 | 0 | 0 | 0 | 112.2 | L3675 L3676 I3681 N3685 A3688 | L3675-N3679 WeakPolarHBondContact O-CB 3.35Å; L3675-N3679 PolarHBondContact O-N 2.94Å; L3675-N3679 PolarHBondContact O-ND2 2.89Å; L3676-N3679 PolarHBondContact O-N 3.3Å; N3679-I3681 VanDerWaalsContact C-N 3.31Å; N3679-I3681 PolarHBondContact O-N 3.26Å; N3679-N3685 HydrophobicContact CB-CB 4.4Å; N3679-A3688 HydrophobicContact CB-CB 4.05Å |
| 3680 | F | 65.8 | Low | 67.6 | Low | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.6 | -26.4 | 173.7 | -67.4 | -57.9 | 0 | 0 | 0 | 113.3 | L3676 N3677 S3678 A3688 Y3689 F3692 I3722 A3726 S3729 | L3676-F3680 HydrophobicContact CB-CE2 4.13Å; L3676-F3680 WeakPolarHBondContact O-CD2 3.47Å; L3676-F3680 WeakPolarHBondContact O-CE2 3.43Å; L3676-F3680 PolarHBondContact O-N 3.3Å; L3676-F3680 VanDerWaalsContact O-N 3.13Å; N3677-F3680 PolarHBondContact O-N 2.89Å; S3678-F3680 VanDerWaalsContact C-N 3.3Å; S3678-F3680 PolarHBondContact O-N 3.39Å; F3680-A3688 HydrophobicContact CE1-CB 4.31Å; F3680-A3688 HydrophobicContact CZ-CB 4.29Å; F3680-Y3689 HydrophobicContact CD1-CE1 4.16Å; F3680-Y3689 HydrophobicContact CD1-CE2 4.3Å; F3680-Y3689 AromaticContact CD1-CZ 3.96Å; F3680-Y3689 AromaticContact CE1-CD1 3.79Å; F3680-Y3689 HydrophobicContact CE1-CD1 3.79Å; F3680-Y3689 HydrophobicContact CE1-CD2 4.23Å; F3680-Y3689 AromaticContact CE1-CE1 3.63Å; F3680-Y3689 HydrophobicContact CE1-CE1 3.63Å; F3680-Y3689 HydrophobicContact CE1-CE2 4.12Å; F3680-Y3689 HydrophobicContact CE1-CG 4.08Å; F3680-Y3689 AromaticContact CE1-CZ 3.82Å; F3680-F3692 HydrophobicContact CE2-CB 4.44Å; F3680-F3692 HydrophobicContact CE2-CG 4.36Å; F3680-F3692 HydrophobicContact CZ-CB 3.86Å; F3680-F3692 HydrophobicContact CZ-CD1 4.07Å; F3680-F3692 HydrophobicContact CZ-CG 4.03Å; F3680-I3722 HydrophobicContact CD2-CG2 4.09Å; F3680-I3722 HydrophobicContact CE2-CG2 3.72Å; F3680-A3726 HydrophobicContact CD1-CB 4.25Å; F3680-A3726 HydrophobicContact CD2-CB 4.36Å; F3680-A3726 HydrophobicContact CE1-CB 4.24Å; F3680-A3726 HydrophobicContact CE2-CB 4.36Å; F3680-A3726 HydrophobicContact CG-CB 4.33Å; F3680-A3726 HydrophobicContact CZ-CB 4.31Å; F3680-S3729 WeakPolarHBondContact O-CB 3.43Å; F3680-S3729 PolarHBondContact O-OG 3.15Å |
| 3681 | I | 55.8 | Low | 67.4 | Low | 99 Ų | 99 | 62.2 Ų | 62.2 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -78.3 | -30.2 | -175.6 | -66 | 167 | 0 | 0 | 0 | 112.6 | N3677 S3678 N3679 | N3677-I3681 WeakPolarHBondContact O-CG1 3.49Å; S3678-I3681 PolarHBondContact O-N 3.23Å; N3679-I3681 VanDerWaalsContact C-N 3.31Å; N3679-I3681 PolarHBondContact O-N 3.26Å |
| 3682 | Y | 49.6 | Very low | 67.4 | Low | 190 Ų | 190 | 57.8 Ų | 57.8 | 75% | 0.745 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -111.9 | -26.9 | -167 | -69.9 | -76.4 | 0 | 0 | 0 | 115.8 | S3678 | S3678-Y3682 WeakPolarHBondContact O-CD2 3.47Å |
| 3683 | E | 49.5 | Very low | 67.2 | Low | 163 Ų | 163 | 59.5 Ų | 59.5 | 76% | 0.762 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -165 | 151.2 | -175.4 | -105 | 157.2 | -154.6 | 0 | 0 | 112 | N3685 | E3683-N3685 PolarHBondContact O-N 3.42Š|
| 3684 | T | 52.3 | Low | 67.2 | Low | 85 Ų | 85 | 59.5 Ų | 59.5 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | trans | -69.7 | 69 | 177.7 | 42.9 | 0 | 0 | 0 | 0 | 112.2 | T3686 D3733 | T3684-T3686 PolarHBondContact O-N 3.13Å; T3684-T3686 VanDerWaalsContact O-N 3.07Å; T3684-D3733 WeakPolarHBondContact CG2-OD2 3.43Å | ||
| 3685 | N | 61.9 | Low | 67.4 | Low | 61 Ų | 61 | 52.8 Ų | 52.8 | 33% | 0.326 | 27% | 0.27 | S | S | . | . | trans | -76.1 | 99.5 | -178.2 | -167.3 | -23.6 | 0 | 0 | 0 | 111.1 | N3679 E3683 A3687 A3688 Y3689 | N3679-N3685 HydrophobicContact CB-CB 4.4Å; E3683-N3685 PolarHBondContact O-N 3.42Å; N3685-A3687 PolarHBondContact O-N 3.39Å; N3685-A3687 VanDerWaalsContact O-N 3.15Å; N3685-A3687 WeakPolarHBondContact OD1-CB 3.41Å; N3685-A3687 PolarHBondContact OD1-N 2.92Å; N3685-A3687 VanDerWaalsContact OD1-N 3.17Å; N3685-A3688 HydrophobicContact CB-CB 4.03Å; N3685-A3688 WeakPolarHBondContact O-CB 3.41Å; N3685-A3688 PolarHBondContact O-N 2.83Å; N3685-Y3689 WeakPolarHBondContact O-CD2 3.47Å; N3685-Y3689 PolarHBondContact O-N 3.21Å | ||
| 3686 | T | 65.4 | Low | 67.6 | Low | 95 Ų | 95 | 50 Ų | 50 | 58% | 0.583 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -52.2 | -34.8 | 178.2 | 52 | 0 | 0 | 0 | 0 | 112.8 | T3684 Y3689 Q3690 | T3684-T3686 PolarHBondContact O-N 3.13Å; T3684-T3686 VanDerWaalsContact O-N 3.07Å; T3686-Y3689 PolarHBondContact O-N 2.99Å; T3686-Q3690 WeakPolarHBondContact O-CG 3.48Å; T3686-Q3690 PolarHBondContact O-N 3.49Å |
| 3687 | A | 65.6 | Low | 67.8 | Low | 31 Ų | 31 | 51.6 Ų | 51.6 | 26% | 0.256 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | L3638 N3685 Y3689 Q3690 V3691 | L3638-A3687 HydrophobicContact CD2-CB 3.43Å; L3638-A3687 VanDerWaalsContact CD2-CB 3.43Å; N3685-A3687 PolarHBondContact O-N 3.39Å; N3685-A3687 VanDerWaalsContact O-N 3.15Å; N3685-A3687 WeakPolarHBondContact OD1-CB 3.41Å; N3685-A3687 PolarHBondContact OD1-N 2.92Å; N3685-A3687 VanDerWaalsContact OD1-N 3.17Å; A3687-Y3689 VanDerWaalsContact C-N 3.34Å; A3687-Q3690 PolarHBondContact O-N 3.49Å; A3687-V3691 VanDerWaalsContact O-CG2 3.31Å; A3687-V3691 WeakPolarHBondContact O-CG2 2.94Å; A3687-V3691 PolarHBondContact O-N 3.48Å |
| 3688 | A | 69.4 | Low | 68.3 | Low | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L3676 N3679 F3680 N3685 V3691 F3692 | L3676-A3688 HydrophobicContact CD2-CB 3.91Å; N3679-A3688 HydrophobicContact CB-CB 4.05Å; F3680-A3688 HydrophobicContact CE1-CB 4.31Å; F3680-A3688 HydrophobicContact CZ-CB 4.29Å; N3685-A3688 HydrophobicContact CB-CB 4.03Å; N3685-A3688 WeakPolarHBondContact O-CB 3.41Å; N3685-A3688 PolarHBondContact O-N 2.83Å; A3688-V3691 PolarHBondContact O-N 3.47Å; A3688-F3692 VanDerWaalsContact O-CB 3.25Å; A3688-F3692 WeakPolarHBondContact O-CB 3.17Å; A3688-F3692 PolarHBondContact O-N 3.08Å |
| 3689 | Y | 69.1 | Low | 68.5 | Low | 29 Ų | 29 | 48.6 Ų | 48.6 | 11% | 0.114 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 173.9 | -81 | -69.8 | 0 | 0 | 0 | 112.6 | F3680 N3685 T3686 A3687 V3691 F3692 Y3693 L3730 | F3680-Y3689 HydrophobicContact CD1-CE1 4.16Å; F3680-Y3689 HydrophobicContact CD1-CE2 4.3Å; F3680-Y3689 AromaticContact CD1-CZ 3.96Å; F3680-Y3689 AromaticContact CE1-CD1 3.79Å; F3680-Y3689 HydrophobicContact CE1-CD1 3.79Å; F3680-Y3689 HydrophobicContact CE1-CD2 4.23Å; F3680-Y3689 AromaticContact CE1-CE1 3.63Å; F3680-Y3689 HydrophobicContact CE1-CE1 3.63Å; F3680-Y3689 HydrophobicContact CE1-CE2 4.12Å; F3680-Y3689 HydrophobicContact CE1-CG 4.08Å; F3680-Y3689 AromaticContact CE1-CZ 3.82Å; N3685-Y3689 WeakPolarHBondContact O-CD2 3.47Å; N3685-Y3689 PolarHBondContact O-N 3.21Å; T3686-Y3689 PolarHBondContact O-N 2.99Å; A3687-Y3689 VanDerWaalsContact C-N 3.34Å; Y3689-V3691 PolarHBondContact O-N 3.24Å; Y3689-F3692 PolarHBondContact O-N 2.66Å; Y3689-Y3693 VanDerWaalsContact O-CB 3.23Å; Y3689-Y3693 WeakPolarHBondContact O-CB 3.46Å; Y3689-Y3693 PolarHBondContact O-N 2.99Å; Y3689-L3730 HydrophobicContact CD1-CD1 4.47Å; Y3689-L3730 HydrophobicContact CE1-CD1 3.4Å; Y3689-L3730 WeakPolarHBondContact OH-CD1 3.25Å |
| 3690 | Q | 70.7 | Confident | 69 | Low | 66 Ų | 66 | 48.8 Ų | 48.8 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62 | -43.1 | 177.5 | -73.7 | 176.2 | -13.9 | 0 | 0 | 112.5 | L3642 T3686 A3687 L3694 | L3642-Q3690 HydrophobicContact CD1-CB 3.8Å; T3686-Q3690 WeakPolarHBondContact O-CG 3.48Å; T3686-Q3690 PolarHBondContact O-N 3.49Å; A3687-Q3690 PolarHBondContact O-N 3.49Å; Q3690-L3694 PolarHBondContact O-N 3.19Å |
| 3691 | V | 75.5 | Confident | 69.4 | Low | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.5 | -44 | 177.4 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | I3632 L3638 L3642 L3672 L3676 A3687 A3688 Y3689 Y3693 L3694 F3695 | I3632-V3691 HydrophobicContact CG2-CB 4.5Å; I3632-V3691 HydrophobicContact CG2-CG1 4.03Å; I3632-V3691 HydrophobicContact CG2-CG2 3.58Å; L3638-V3691 HydrophobicContact CD1-CG2 4.23Å; L3638-V3691 HydrophobicContact CD2-CG2 4.39Å; L3642-V3691 HydrophobicContact CD2-CG2 4.3Å; L3672-V3691 HydrophobicContact CD2-CG1 4.34Å; L3676-V3691 HydrophobicContact CD1-CG1 4.14Å; L3676-V3691 HydrophobicContact CD2-CB 4.16Å; L3676-V3691 HydrophobicContact CD2-CG1 4.11Å; A3687-V3691 VanDerWaalsContact O-CG2 3.31Å; A3687-V3691 WeakPolarHBondContact O-CG2 2.94Å; A3687-V3691 PolarHBondContact O-N 3.48Å; A3688-V3691 PolarHBondContact O-N 3.47Å; Y3689-V3691 PolarHBondContact O-N 3.24Å; V3691-Y3693 VanDerWaalsContact C-N 3.34Å; V3691-Y3693 PolarHBondContact O-N 3.34Å; V3691-L3694 WeakPolarHBondContact O-CB 3.44Å; V3691-L3694 PolarHBondContact O-N 3.48Å; V3691-F3695 HydrophobicContact CG1-CD2 4.26Å; V3691-F3695 HydrophobicContact CG1-CE2 3.78Å; V3691-F3695 WeakPolarHBondContact O-CD2 3.42Å; V3691-F3695 PolarHBondContact O-N 3.44Å |
| 3692 | F | 77.7 | Confident | 70.4 | Confident | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 178.1 | -176.3 | -123.7 | 0 | 0 | 0 | 112.1 | F3680 A3688 Y3689 L3694 F3695 I3696 I3722 A3726 L3749 | F3680-F3692 HydrophobicContact CE2-CB 4.44Å; F3680-F3692 HydrophobicContact CE2-CG 4.36Å; F3680-F3692 HydrophobicContact CZ-CB 3.86Å; F3680-F3692 HydrophobicContact CZ-CD1 4.07Å; F3680-F3692 HydrophobicContact CZ-CG 4.03Å; A3688-F3692 VanDerWaalsContact O-CB 3.25Å; A3688-F3692 WeakPolarHBondContact O-CB 3.17Å; A3688-F3692 PolarHBondContact O-N 3.08Å; Y3689-F3692 PolarHBondContact O-N 2.66Å; F3692-L3694 VanDerWaalsContact C-N 3.29Å; F3692-L3694 PolarHBondContact O-N 3.13Å; F3692-F3695 PolarHBondContact O-N 3.47Å; F3692-F3695 VanDerWaalsContact O-N 3.1Å; F3692-I3696 HydrophobicContact CD1-CG1 4.27Å; F3692-I3696 HydrophobicContact CD2-CG1 4.42Å; F3692-I3696 HydrophobicContact CE1-CD1 4.25Å; F3692-I3696 HydrophobicContact CE1-CG1 4Å; F3692-I3696 HydrophobicContact CE2-CD1 4.07Å; F3692-I3696 HydrophobicContact CE2-CG1 4.1Å; F3692-I3696 HydrophobicContact CG-CG1 4.49Å; F3692-I3696 HydrophobicContact CZ-CD1 3.73Å; F3692-I3696 HydrophobicContact CZ-CG1 3.88Å; F3692-I3696 WeakPolarHBondContact O-CG1 3.43Å; F3692-I3696 PolarHBondContact O-N 2.64Å; F3692-I3722 HydrophobicContact CD2-CG2 3.83Å; F3692-I3722 HydrophobicContact CE2-CB 4.39Å; F3692-I3722 HydrophobicContact CE2-CG2 3.54Å; F3692-I3722 HydrophobicContact CZ-CG2 4.07Å; F3692-A3726 HydrophobicContact CD1-CB 4.33Å; F3692-A3726 HydrophobicContact CE1-CB 3.82Å; F3692-A3726 HydrophobicContact CZ-CB 4.5Å; F3692-L3749 HydrophobicContact CD1-CD2 4.31Å; F3692-L3749 HydrophobicContact CE1-CD2 3.41Å; F3692-L3749 VanDerWaalsContact CE1-CD2 3.41Å; F3692-L3749 HydrophobicContact CZ-CD2 4.12Å |
| 3693 | Y | 75.6 | Confident | 71.7 | Confident | 39 Ų | 39 | 44.2 Ų | 44.2 | 15% | 0.153 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -41 | 175.2 | -179.1 | -105 | 0 | 0 | 0 | 112.4 | Y3689 V3691 F3695 I3696 N3697 L3857 S3860 L3861 | Y3689-Y3693 VanDerWaalsContact O-CB 3.23Å; Y3689-Y3693 WeakPolarHBondContact O-CB 3.46Å; Y3689-Y3693 PolarHBondContact O-N 2.99Å; V3691-Y3693 VanDerWaalsContact C-N 3.34Å; V3691-Y3693 PolarHBondContact O-N 3.34Å; Y3693-F3695 VanDerWaalsContact C-N 3.35Å; Y3693-F3695 PolarHBondContact O-N 3.32Å; Y3693-I3696 PolarHBondContact O-N 3.42Å; Y3693-N3697 VanDerWaalsContact O-CB 3.31Å; Y3693-N3697 WeakPolarHBondContact O-CB 3.3Å; Y3693-N3697 PolarHBondContact O-N 2.98Å; Y3693-L3857 HydrophobicContact CD2-CD2 4.45Å; Y3693-L3857 HydrophobicContact CG-CD2 4.36Å; Y3693-S3860 VanDerWaalsContact OH-C 3.3Å; Y3693-S3860 VanDerWaalsContact OH-CB 3.3Å; Y3693-S3860 WeakPolarHBondContact OH-CB 3.39Å; Y3693-L3861 HydrophobicContact CD2-CD2 4.25Å; Y3693-L3861 HydrophobicContact CD2-CG 4.36Å; Y3693-L3861 HydrophobicContact CE2-CD1 4.2Å; Y3693-L3861 HydrophobicContact CE2-CD2 3.51Å; Y3693-L3861 HydrophobicContact CE2-CG 3.52Å; Y3693-L3861 PolarHBondContact OH-N 3.1Å |
| 3694 | L | 78.8 | Confident | 72.9 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57 | -46.8 | 174.2 | 175.9 | 66.7 | 0 | 0 | 0 | 111.8 | L3642 L3645 E3646 Q3690 V3691 F3692 N3697 L3698 | L3642-L3694 HydrophobicContact CD2-CD2 3.93Å; L3645-L3694 HydrophobicContact CD2-CD2 3.5Å; L3645-L3694 VanDerWaalsContact CD2-CD2 3.5Å; L3645-L3694 HydrophobicContact CG-CD2 4.12Å; E3646-L3694 HydrophobicContact CG-CD1 3.52Å; Q3690-L3694 PolarHBondContact O-N 3.19Å; V3691-L3694 WeakPolarHBondContact O-CB 3.44Å; V3691-L3694 PolarHBondContact O-N 3.48Å; F3692-L3694 VanDerWaalsContact C-N 3.29Å; F3692-L3694 PolarHBondContact O-N 3.13Å; L3694-N3697 PolarHBondContact O-N 2.61Å; L3694-L3698 HydrophobicContact CD1-CD1 4.33Å; L3694-L3698 HydrophobicContact CD1-CG 4.46Å; L3694-L3698 HydrophobicContact CG-CD1 4.15Å; L3694-L3698 VanDerWaalsContact O-CG 3.26Å; L3694-L3698 WeakPolarHBondContact O-CG 3.4Å; L3694-L3698 PolarHBondContact O-N 3.02Å |
| 3695 | F | 80.6 | Confident | 74.1 | Confident | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 179.6 | -72.4 | -73.1 | 0 | 0 | 0 | 112.6 | L3663 F3664 S3667 L3672 F3673 V3691 F3692 Y3693 L3698 L3699 | L3663-F3695 HydrophobicContact CD2-CE1 4.13Å; L3663-F3695 HydrophobicContact CG-CE1 4.13Å; F3664-F3695 HydrophobicContact CD1-CD1 4.23Å; F3664-F3695 HydrophobicContact CD1-CE1 4.29Å; F3664-F3695 AromaticContact CE1-CD1 3.6Å; F3664-F3695 HydrophobicContact CE1-CD1 3.6Å; F3664-F3695 HydrophobicContact CE1-CE1 4.11Å; F3664-F3695 AromaticContact CZ-CD1 3.91Å; F3664-F3695 HydrophobicContact CZ-CD1 3.91Å; S3667-F3695 WeakPolarHBondContact OG-CZ 3.5Å; L3672-F3695 HydrophobicContact CD2-CE2 4.13Å; L3672-F3695 HydrophobicContact CD2-CZ 4.15Å; F3673-F3695 HydrophobicContact CE1-CD1 4.43Å; F3673-F3695 HydrophobicContact CE1-CD2 4.45Å; F3673-F3695 HydrophobicContact CE1-CE1 4.25Å; F3673-F3695 HydrophobicContact CE1-CE2 4.28Å; F3673-F3695 HydrophobicContact CE1-CZ 4.18Å; F3673-F3695 HydrophobicContact CZ-CE1 4.15Å; F3673-F3695 HydrophobicContact CZ-CZ 4.32Å; V3691-F3695 HydrophobicContact CG1-CD2 4.26Å; V3691-F3695 HydrophobicContact CG1-CE2 3.78Å; V3691-F3695 WeakPolarHBondContact O-CD2 3.42Å; V3691-F3695 PolarHBondContact O-N 3.44Å; F3692-F3695 PolarHBondContact O-N 3.47Å; F3692-F3695 VanDerWaalsContact O-N 3.1Å; Y3693-F3695 VanDerWaalsContact C-N 3.35Å; Y3693-F3695 PolarHBondContact O-N 3.32Å; F3695-L3698 PolarHBondContact O-N 3.27Å; F3695-L3699 PolarHBondContact O-N 3.49Å |
| 3696 | I | 77.9 | Confident | 74.8 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.4 | -43.5 | 175.8 | -65.9 | -67.4 | 0 | 0 | 0 | 110.7 | F3692 Y3693 L3698 L3699 F3700 A3752 | F3692-I3696 HydrophobicContact CD1-CG1 4.27Å; F3692-I3696 HydrophobicContact CD2-CG1 4.42Å; F3692-I3696 HydrophobicContact CE1-CD1 4.25Å; F3692-I3696 HydrophobicContact CE1-CG1 4Å; F3692-I3696 HydrophobicContact CE2-CD1 4.07Å; F3692-I3696 HydrophobicContact CE2-CG1 4.1Å; F3692-I3696 HydrophobicContact CG-CG1 4.49Å; F3692-I3696 HydrophobicContact CZ-CD1 3.73Å; F3692-I3696 HydrophobicContact CZ-CG1 3.88Å; F3692-I3696 WeakPolarHBondContact O-CG1 3.43Å; F3692-I3696 PolarHBondContact O-N 2.64Å; Y3693-I3696 PolarHBondContact O-N 3.42Å; I3696-L3698 VanDerWaalsContact C-N 3.32Å; I3696-L3698 PolarHBondContact O-N 2.94Å; I3696-L3699 WeakPolarHBondContact O-CB 3.39Å; I3696-L3699 PolarHBondContact O-N 2.68Å; I3696-L3699 VanDerWaalsContact O-N 3.16Å; I3696-F3700 HydrophobicContact CG2-CD2 3.62Å; I3696-F3700 HydrophobicContact CG2-CE2 3.32Å; I3696-F3700 HydrophobicContact CG2-CZ 4.47Å; I3696-F3700 WeakPolarHBondContact O-CD2 3.29Å; I3696-F3700 PolarHBondContact O-N 3.47Å; I3696-A3752 HydrophobicContact CD1-CB 3.64Å; I3696-A3752 HydrophobicContact CG2-CB 4.48Å |
| 3697 | N | 78.1 | Confident | 75.5 | Confident | 39 Ų | 39 | 35.9 Ų | 35.9 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 176.6 | -168.7 | 20.1 | 0 | 0 | 0 | 111.6 | Y3693 L3694 F3700 T3701 I3864 | Y3693-N3697 VanDerWaalsContact O-CB 3.31Å; Y3693-N3697 WeakPolarHBondContact O-CB 3.3Å; Y3693-N3697 PolarHBondContact O-N 2.98Å; L3694-N3697 PolarHBondContact O-N 2.61Å; N3697-F3700 PolarHBondContact O-N 3.11Å; N3697-T3701 VanDerWaalsContact O-CB 3.22Å; N3697-T3701 WeakPolarHBondContact O-CB 3.48Å; N3697-T3701 PolarHBondContact O-N 3.16Å; N3697-T3701 PolarHBondContact O-OG1 3.3Å; N3697-T3701 PolarHBondContact OD1-OG1 2.97Å; N3697-T3701 VanDerWaalsContact OD1-OG1 3.05Å; N3697-I3864 VanDerWaalsContact OD1-CD1 3.3Å; N3697-I3864 WeakPolarHBondContact OD1-CD1 3.42Å |
| 3698 | L | 79.7 | Confident | 76.1 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -39.3 | 173.8 | -71 | 168.2 | 0 | 0 | 0 | 112.3 | L3649 M3660 L3663 L3694 F3695 I3696 F3700 T3701 D3702 | L3649-L3698 HydrophobicContact CD1-CD1 3.74Å; L3649-L3698 HydrophobicContact CD1-CD2 3.93Å; L3649-L3698 HydrophobicContact CD1-CG 4.46Å; M3660-L3698 HydrophobicContact CE-CD2 4.27Å; L3663-L3698 HydrophobicContact CD2-CD1 3.85Å; L3694-L3698 HydrophobicContact CD1-CD1 4.33Å; L3694-L3698 HydrophobicContact CD1-CG 4.46Å; L3694-L3698 HydrophobicContact CG-CD1 4.15Å; L3694-L3698 VanDerWaalsContact O-CG 3.26Å; L3694-L3698 WeakPolarHBondContact O-CG 3.4Å; L3694-L3698 PolarHBondContact O-N 3.02Å; F3695-L3698 PolarHBondContact O-N 3.27Å; I3696-L3698 VanDerWaalsContact C-N 3.32Å; I3696-L3698 PolarHBondContact O-N 2.94Å; L3698-F3700 VanDerWaalsContact C-N 3.31Å; L3698-F3700 PolarHBondContact O-N 3.03Å; L3698-T3701 PolarHBondContact O-N 2.99Å; L3698-D3702 PolarHBondContact O-N 3.09Å; L3698-D3702 VanDerWaalsContact O-N 3.13Å |
| 3699 | L | 75.5 | Confident | 76.5 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 175.6 | -175.1 | 70.5 | 0 | 0 | 0 | 112 | F3695 I3696 V3705 I3706 L3709 A3752 I3755 L3756 | F3695-L3699 PolarHBondContact O-N 3.49Å; I3696-L3699 WeakPolarHBondContact O-CB 3.39Å; I3696-L3699 PolarHBondContact O-N 2.68Å; I3696-L3699 VanDerWaalsContact O-N 3.16Å; L3699-V3705 HydrophobicContact CD1-CG1 4.36Å; L3699-I3706 HydrophobicContact CD1-CG1 4.37Å; L3699-L3709 HydrophobicContact CD1-CD1 3.39Å; L3699-A3752 HydrophobicContact CD2-CB 4.29Å; L3699-I3755 HydrophobicContact CD2-CG2 4.41Å; L3699-L3756 HydrophobicContact CD2-CD2 4.41Å; L3699-L3756 HydrophobicContact CD2-CG 4.29Å |
| 3700 | F | 74.6 | Confident | 76.8 | Confident | 53 Ų | 53 | 37.7 Ų | 37.7 | 23% | 0.232 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -80.5 | -32.3 | 179.8 | -73.8 | -59 | 0 | 0 | 0 | 113.9 | I3696 N3697 L3698 Q3751 A3752 I3755 I3864 | I3696-F3700 HydrophobicContact CG2-CD2 3.62Å; I3696-F3700 HydrophobicContact CG2-CE2 3.32Å; I3696-F3700 HydrophobicContact CG2-CZ 4.47Å; I3696-F3700 WeakPolarHBondContact O-CD2 3.29Å; I3696-F3700 PolarHBondContact O-N 3.47Å; N3697-F3700 PolarHBondContact O-N 3.11Å; L3698-F3700 VanDerWaalsContact C-N 3.31Å; L3698-F3700 PolarHBondContact O-N 3.03Å; F3700-Q3751 HydrophobicContact CE1-CB 4.41Å; F3700-Q3751 HydrophobicContact CE1-CG 3.87Å; F3700-Q3751 HydrophobicContact CZ-CB 4.13Å; F3700-Q3751 HydrophobicContact CZ-CG 4.1Å; F3700-A3752 HydrophobicContact CE2-CB 4.33Å; F3700-A3752 HydrophobicContact CZ-CB 4.03Å; F3700-I3755 HydrophobicContact CD1-CD1 3.95Å; F3700-I3755 HydrophobicContact CE1-CD1 3.46Å; F3700-I3755 VanDerWaalsContact CE1-CD1 3.46Å; F3700-I3755 HydrophobicContact CZ-CD1 4.4Å; F3700-I3864 HydrophobicContact CB-CG2 4.37Å |
| 3701 | T | 74.8 | Confident | 77.1 | Confident | 97 Ų | 97 | 38.3 Ų | 38.3 | 60% | 0.595 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -93.9 | -27.9 | -168.4 | -50.1 | 0 | 0 | 0 | 0 | 113 | N3697 L3698 | N3697-T3701 VanDerWaalsContact O-CB 3.22Å; N3697-T3701 WeakPolarHBondContact O-CB 3.48Å; N3697-T3701 PolarHBondContact O-N 3.16Å; N3697-T3701 PolarHBondContact O-OG1 3.3Å; N3697-T3701 PolarHBondContact OD1-OG1 2.97Å; N3697-T3701 VanDerWaalsContact OD1-OG1 3.05Å; L3698-T3701 PolarHBondContact O-N 2.99Å |
| 3702 | D | 75.8 | Confident | 77.2 | Confident | 14 Ų | 14 | 42 Ų | 42 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | trans | -122.1 | 113.4 | -171.5 | -150.5 | -55.5 | 0 | 0 | 0 | 114.2 | K3656 M3660 L3698 D3704 V3705 | K3656-D3702 WeakPolarHBondContact CE-OD2 3.32Å; K3656-D3702 IonicContact NZ-OD2 2.74Å; K3656-D3702 PolarHBondContact NZ-OD2 2.99Å; M3660-D3702 HydrophobicContact CE-CB 3.87Å; M3660-D3702 WeakPolarHBondContact CE-OD2 3.42Å; M3660-D3702 HydrophobicContact SD-CB 3.96Å; M3660-D3702 VanDerWaalsContact SD-CG 3.56Å; L3698-D3702 PolarHBondContact O-N 3.09Å; L3698-D3702 VanDerWaalsContact O-N 3.13Å; D3702-D3704 PolarHBondContact O-N 3.45Å; D3702-D3704 WeakPolarHBondContact OD1-CB 3.44Å; D3702-D3704 PolarHBondContact OD1-N 2.69Å; D3702-D3704 VanDerWaalsContact OD1-N 3.15Å; D3702-V3705 HydrophobicContact CB-CG2 4.05Å; D3702-V3705 WeakPolarHBondContact O-CB 3.43Å; D3702-V3705 PolarHBondContact O-N 3.34Å; D3702-V3705 VanDerWaalsContact O-N 3.15Å | ||
| 3703 | P | 78.4 | Confident | 77.2 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 58% | 0.578 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.1 | -21.9 | -178.1 | 26.6 | -34.3 | 0 | 0 | 0 | 113.8 | V3705 I3706 T3707 | P3703-V3705 PolarHBondContact O-N 3.29Å; P3703-I3706 PolarHBondContact O-N 3.35Å; P3703-T3707 PolarHBondContact O-N 3.22Å; P3703-T3707 VanDerWaalsContact O-N 3.1Å; P3703-T3707 PolarHBondContact O-OG1 3.17Å |
| 3704 | D | 74.5 | Confident | 77.4 | Confident | 74 Ų | 74 | 51.2 Ų | 51.2 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.9 | -30.3 | 176.6 | -73.8 | -21.6 | 0 | 0 | 0 | 111.4 | S3657 D3702 T3707 Y3708 | S3657-D3704 VanDerWaalsContact CB-OD2 3.31Å; S3657-D3704 WeakPolarHBondContact CB-OD2 3.42Å; D3702-D3704 PolarHBondContact O-N 3.45Å; D3702-D3704 WeakPolarHBondContact OD1-CB 3.44Å; D3702-D3704 PolarHBondContact OD1-N 2.69Å; D3702-D3704 VanDerWaalsContact OD1-N 3.15Å; D3704-T3707 PolarHBondContact O-N 2.91Å; D3704-Y3708 WeakPolarHBondContact O-CB 3.48Å; D3704-Y3708 PolarHBondContact O-N 3.16Å |
| 3705 | V | 77.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | M3660 F3664 L3699 D3702 P3703 T3707 Y3708 L3709 | M3660-V3705 HydrophobicContact CB-CG2 4.33Å; M3660-V3705 HydrophobicContact CG-CG2 4.41Å; M3660-V3705 HydrophobicContact SD-CG2 3.64Å; F3664-V3705 HydrophobicContact CE2-CG1 3.6Å; F3664-V3705 HydrophobicContact CE2-CG2 4.18Å; F3664-V3705 HydrophobicContact CZ-CG1 3.74Å; L3699-V3705 HydrophobicContact CD1-CG1 4.36Å; D3702-V3705 HydrophobicContact CB-CG2 4.05Å; D3702-V3705 WeakPolarHBondContact O-CB 3.43Å; D3702-V3705 PolarHBondContact O-N 3.34Å; D3702-V3705 VanDerWaalsContact O-N 3.15Å; P3703-V3705 PolarHBondContact O-N 3.29Å; V3705-T3707 VanDerWaalsContact C-N 3.28Å; V3705-T3707 PolarHBondContact O-N 3.21Å; V3705-Y3708 PolarHBondContact O-N 3.23Å; V3705-L3709 HydrophobicContact CG1-CD1 3.8Å; V3705-L3709 HydrophobicContact CG1-CG 4.28Å; V3705-L3709 WeakPolarHBondContact O-CB 3.1Å; V3705-L3709 WeakPolarHBondContact O-CG 3.3Å; V3705-L3709 PolarHBondContact O-N 3.26Å |
| 3706 | I | 77.1 | Confident | 77.3 | Confident | 63 Ų | 63 | 51.2 Ų | 51.2 | 32% | 0.323 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.7 | -60.1 | 177.1 | 0 | 0 | 0 | 110.2 | L3699 P3703 L3709 S3710 L3759 | L3699-I3706 HydrophobicContact CD1-CG1 4.37Å; P3703-I3706 PolarHBondContact O-N 3.35Å; I3706-L3709 PolarHBondContact O-N 3.34Å; I3706-S3710 WeakPolarHBondContact O-CB 3.26Å; I3706-S3710 PolarHBondContact O-N 3.43Å; I3706-L3759 HydrophobicContact CG2-CD2 4.05Å |
| 3707 | T | 79 | Confident | 77.5 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 177.6 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | P3703 D3704 V3705 S3710 | P3703-T3707 PolarHBondContact O-N 3.22Å; P3703-T3707 VanDerWaalsContact O-N 3.1Å; P3703-T3707 PolarHBondContact O-OG1 3.17Å; D3704-T3707 PolarHBondContact O-N 2.91Å; V3705-T3707 VanDerWaalsContact C-N 3.28Å; V3705-T3707 PolarHBondContact O-N 3.21Å; T3707-S3710 PolarHBondContact O-N 2.96Å; T3707-S3710 PolarHBondContact O-OG 3.46Å |
| 3708 | Y | 78.4 | Confident | 77.6 | Confident | 36 Ų | 36 | 55.2 Ų | 55.2 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 175.6 | 173.4 | -113.6 | 0 | 0 | 0 | 112.6 | R3661 F3664 D3704 V3705 S3710 S3711 E3712 L3715 | R3661-Y3708 HydrophobicContact CB-CD2 4.19Å; R3661-Y3708 HydrophobicContact CB-CE2 3.99Å; R3661-Y3708 HydrophobicContact CG-CD1 4.21Å; R3661-Y3708 HydrophobicContact CG-CD2 3.39Å; R3661-Y3708 HydrophobicContact CG-CE2 3.7Å; R3661-Y3708 HydrophobicContact CG-CG 3.63Å; F3664-Y3708 HydrophobicContact CB-CE1 3.72Å; F3664-Y3708 HydrophobicContact CD2-CD1 4.42Å; F3664-Y3708 HydrophobicContact CD2-CE1 4.43Å; F3664-Y3708 HydrophobicContact CG-CE1 4.26Å; D3704-Y3708 WeakPolarHBondContact O-CB 3.48Å; D3704-Y3708 PolarHBondContact O-N 3.16Å; V3705-Y3708 PolarHBondContact O-N 3.23Å; Y3708-S3710 PolarHBondContact O-N 3.37Å; Y3708-S3711 PolarHBondContact O-N 3.4Å; Y3708-S3711 PolarHBondContact O-OG 3.43Å; Y3708-E3712 HydrophobicContact CD2-CG 4.34Å; Y3708-E3712 HydrophobicContact CE1-CG 4.32Å; Y3708-E3712 HydrophobicContact CE2-CG 3.79Å; Y3708-E3712 PolarHBondContact O-N 3.01Å; Y3708-L3715 HydrophobicContact CE1-CD2 3.95Å |
| 3709 | L | 77.3 | Confident | 77.7 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -33.4 | 179.1 | -72.1 | 173.8 | 0 | 0 | 0 | 112.1 | L3699 V3705 I3706 S3711 E3712 L3715 V3716 L3719 L3759 | L3699-L3709 HydrophobicContact CD1-CD1 3.39Å; V3705-L3709 HydrophobicContact CG1-CD1 3.8Å; V3705-L3709 HydrophobicContact CG1-CG 4.28Å; V3705-L3709 WeakPolarHBondContact O-CB 3.1Å; V3705-L3709 WeakPolarHBondContact O-CG 3.3Å; V3705-L3709 PolarHBondContact O-N 3.26Å; I3706-L3709 PolarHBondContact O-N 3.34Å; L3709-S3711 PolarHBondContact O-N 3.1Å; L3709-S3711 VanDerWaalsContact O-N 3.15Å; L3709-E3712 CarbonylContact O-C 3.5Å; L3709-E3712 PolarHBondContact O-N 3.34Å; L3709-L3715 HydrophobicContact CD2-CB 4.34Å; L3709-L3715 HydrophobicContact CD2-CD2 3.54Å; L3709-L3715 HydrophobicContact CD2-CG 3.81Å; L3709-V3716 HydrophobicContact CB-CG2 4.01Å; L3709-V3716 WeakPolarHBondContact O-CG2 3.27Å; L3709-L3719 HydrophobicContact CD1-CD1 4.22Å; L3709-L3719 HydrophobicContact CD2-CD1 3.77Å; L3709-L3759 HydrophobicContact CB-CD1 4.18Å |
| 3710 | S | 76 | Confident | 78 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 46% | 0.462 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -24 | 174 | 79.3 | 0 | 0 | 0 | 0 | 113.7 | I3706 T3707 Y3708 | I3706-S3710 WeakPolarHBondContact O-CB 3.26Å; I3706-S3710 PolarHBondContact O-N 3.43Å; T3707-S3710 PolarHBondContact O-N 2.96Å; T3707-S3710 PolarHBondContact O-OG 3.46Å; Y3708-S3710 PolarHBondContact O-N 3.37Å |
| 3711 | S | 76.4 | Confident | 78.4 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -91.5 | -17.6 | 175.6 | 61.9 | 0 | 0 | 0 | 0 | 114.3 | Y3708 L3709 | Y3708-S3711 PolarHBondContact O-N 3.4Å; Y3708-S3711 PolarHBondContact O-OG 3.43Å; L3709-S3711 PolarHBondContact O-N 3.1Å; L3709-S3711 VanDerWaalsContact O-N 3.15Å |
| 3712 | E | 78.3 | Confident | 78.6 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | trans | -114 | 73.1 | -173.7 | -69.6 | -62.3 | 159.6 | 0 | 0 | 111.5 | Y3708 L3709 Y3714 L3715 V3716 | Y3708-E3712 HydrophobicContact CD2-CG 4.34Å; Y3708-E3712 HydrophobicContact CE1-CG 4.32Å; Y3708-E3712 HydrophobicContact CE2-CG 3.79Å; Y3708-E3712 PolarHBondContact O-N 3.01Å; L3709-E3712 CarbonylContact O-C 3.5Å; L3709-E3712 PolarHBondContact O-N 3.34Å; E3712-Y3714 PolarHBondContact O-N 2.95Å; E3712-Y3714 VanDerWaalsContact O-N 3.13Å; E3712-L3715 HydrophobicContact CB-CB 4.04Å; E3712-L3715 PolarHBondContact O-N 3.31Å; E3712-V3716 PolarHBondContact O-N 3.36Å; E3712-V3716 VanDerWaalsContact O-N 3.1Å | ||
| 3713 | I | 76.6 | Confident | 78.9 | Confident | 90 Ų | 90 | 53.7 Ų | 53.7 | 46% | 0.462 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.1 | -33.9 | -175.9 | -61 | 169.1 | 0 | 0 | 0 | 112.3 | K3717 | I3713-K3717 WeakPolarHBondContact O-CG 3.31Å; I3713-K3717 PolarHBondContact O-N 3.35Å; I3713-K3717 VanDerWaalsContact O-N 3.14Å |
| 3714 | Y | 79.8 | Confident | 79.1 | Confident | 151 Ų | 151 | 51.6 Ų | 51.6 | 59% | 0.592 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.7 | -48 | 176.6 | 175.6 | -100.9 | 0 | 0 | 0 | 111.5 | E3712 V3716 K3717 V3718 | E3712-Y3714 PolarHBondContact O-N 2.95Å; E3712-Y3714 VanDerWaalsContact O-N 3.13Å; Y3714-V3716 VanDerWaalsContact C-N 3.32Å; Y3714-V3716 PolarHBondContact O-N 3.21Å; Y3714-K3717 WeakPolarHBondContact O-CB 3.23Å; Y3714-K3717 PolarHBondContact O-N 3.31Å; Y3714-K3717 VanDerWaalsContact O-N 3.15Å; Y3714-V3718 HydrophobicContact CD1-CG2 4.29Å; Y3714-V3718 HydrophobicContact CE1-CG2 3.81Å; Y3714-V3718 HydrophobicContact CE2-CG2 4.17Å; Y3714-V3718 WeakPolarHBondContact O-CG2 3.33Å; Y3714-V3718 PolarHBondContact O-N 2.84Å |
| 3715 | L | 78.1 | Confident | 79.3 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.6 | -35.8 | -179.3 | -173.1 | 62.3 | 0 | 0 | 0 | 111.7 | F3664 F3673 Y3708 L3709 E3712 K3717 V3718 L3719 | F3664-L3715 HydrophobicContact CB-CD2 3.8Å; F3664-L3715 HydrophobicContact CD1-CD2 3.82Å; F3664-L3715 HydrophobicContact CG-CD2 4.06Å; F3673-L3715 HydrophobicContact CD2-CD1 4Å; F3673-L3715 HydrophobicContact CE2-CD1 3.53Å; F3673-L3715 HydrophobicContact CZ-CD1 4.12Å; Y3708-L3715 HydrophobicContact CE1-CD2 3.95Å; L3709-L3715 HydrophobicContact CD2-CB 4.34Å; L3709-L3715 HydrophobicContact CD2-CD2 3.54Å; L3709-L3715 HydrophobicContact CD2-CG 3.81Å; E3712-L3715 HydrophobicContact CB-CB 4.04Å; E3712-L3715 PolarHBondContact O-N 3.31Å; L3715-K3717 VanDerWaalsContact C-N 3.32Å; L3715-K3717 PolarHBondContact O-N 3.19Å; L3715-V3718 PolarHBondContact O-N 3.03Å; L3715-L3719 HydrophobicContact CD1-CG 4.46Å; L3715-L3719 HydrophobicContact CG-CD1 4.14Å; L3715-L3719 HydrophobicContact CG-CG 4.49Å; L3715-L3719 WeakPolarHBondContact O-CB 3.3Å; L3715-L3719 WeakPolarHBondContact O-CG 3.3Å; L3715-L3719 PolarHBondContact O-N 3.49Å |
| 3716 | V | 80.2 | Confident | 79.3 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | L3709 E3712 Y3714 S3720 L3756 L3759 I3760 | L3709-V3716 HydrophobicContact CB-CG2 4.01Å; L3709-V3716 WeakPolarHBondContact O-CG2 3.27Å; E3712-V3716 PolarHBondContact O-N 3.36Å; E3712-V3716 VanDerWaalsContact O-N 3.1Å; Y3714-V3716 VanDerWaalsContact C-N 3.32Å; Y3714-V3716 PolarHBondContact O-N 3.21Å; V3716-S3720 VanDerWaalsContact O-CB 3.31Å; V3716-S3720 WeakPolarHBondContact O-CB 3.02Å; V3716-S3720 PolarHBondContact O-N 2.89Å; V3716-S3720 PolarHBondContact O-OG 3.46Å; V3716-L3756 HydrophobicContact CG1-CB 4.47Å; V3716-L3756 HydrophobicContact CG1-CD2 4.39Å; V3716-L3756 WeakPolarHBondContact CG1-O 3.48Å; V3716-L3759 HydrophobicContact CG1-CB 4.23Å; V3716-L3759 HydrophobicContact CG2-CB 4.42Å; V3716-I3760 HydrophobicContact CG1-CG1 3.98Å |
| 3717 | K | 81 | Confident | 79.3 | Confident | 116 Ų | 116 | 47.1 Ų | 47.1 | 50% | 0.504 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 175.6 | -73.4 | -179 | 177.1 | -172.8 | 0 | 111.9 | I3713 Y3714 L3715 L3719 S3720 E3721 | I3713-K3717 WeakPolarHBondContact O-CG 3.31Å; I3713-K3717 PolarHBondContact O-N 3.35Å; I3713-K3717 VanDerWaalsContact O-N 3.14Å; Y3714-K3717 WeakPolarHBondContact O-CB 3.23Å; Y3714-K3717 PolarHBondContact O-N 3.31Å; Y3714-K3717 VanDerWaalsContact O-N 3.15Å; L3715-K3717 VanDerWaalsContact C-N 3.32Å; L3715-K3717 PolarHBondContact O-N 3.19Å; K3717-L3719 PolarHBondContact O-N 2.98Å; K3717-S3720 WeakPolarHBondContact O-CB 3.26Å; K3717-S3720 PolarHBondContact O-N 3.27Å; K3717-S3720 VanDerWaalsContact O-N 3.13Å; K3717-E3721 WeakPolarHBondContact O-CG 3.42Å; K3717-E3721 PolarHBondContact O-N 2.9Å |
| 3718 | V | 80.5 | Confident | 79.3 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -46.9 | 178.9 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | F3673 Y3714 L3715 S3720 E3721 I3722 | F3673-V3718 HydrophobicContact CB-CG1 3.73Å; F3673-V3718 HydrophobicContact CG-CG1 4.19Å; Y3714-V3718 HydrophobicContact CD1-CG2 4.29Å; Y3714-V3718 HydrophobicContact CE1-CG2 3.81Å; Y3714-V3718 HydrophobicContact CE2-CG2 4.17Å; Y3714-V3718 WeakPolarHBondContact O-CG2 3.33Å; Y3714-V3718 PolarHBondContact O-N 2.84Å; L3715-V3718 PolarHBondContact O-N 3.03Å; V3718-S3720 VanDerWaalsContact C-N 3.29Å; V3718-S3720 PolarHBondContact O-N 2.82Å; V3718-E3721 PolarHBondContact O-N 3.44Å; V3718-I3722 HydrophobicContact CG1-CD1 3.91Å; V3718-I3722 WeakPolarHBondContact O-CG1 3.46Å; V3718-I3722 PolarHBondContact O-N 3.32Å |
| 3719 | L | 81.9 | Confident | 79.1 | Confident | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 176.8 | -70.9 | 172.4 | 0 | 0 | 0 | 112.1 | F3664 F3673 L3709 L3715 K3717 T3723 L3756 | F3664-L3719 HydrophobicContact CE1-CD1 4.18Å; F3673-L3719 HydrophobicContact CD1-CD2 4.21Å; F3673-L3719 HydrophobicContact CE1-CD2 3.84Å; F3673-L3719 HydrophobicContact CZ-CD2 4.4Å; L3709-L3719 HydrophobicContact CD1-CD1 4.22Å; L3709-L3719 HydrophobicContact CD2-CD1 3.77Å; L3715-L3719 HydrophobicContact CD1-CG 4.46Å; L3715-L3719 HydrophobicContact CG-CD1 4.14Å; L3715-L3719 HydrophobicContact CG-CG 4.49Å; L3715-L3719 WeakPolarHBondContact O-CB 3.3Å; L3715-L3719 WeakPolarHBondContact O-CG 3.3Å; L3715-L3719 PolarHBondContact O-N 3.49Å; K3717-L3719 PolarHBondContact O-N 2.98Å; L3719-T3723 VanDerWaalsContact O-CB 3.31Å; L3719-T3723 WeakPolarHBondContact O-CB 3.33Å; L3719-T3723 PolarHBondContact O-N 2.94Å; L3719-T3723 PolarHBondContact O-OG1 3.19Å; L3719-L3756 HydrophobicContact CB-CD1 3.91Å; L3719-L3756 HydrophobicContact CB-CD2 4.07Å; L3719-L3756 HydrophobicContact CD1-CD2 4.36Å |
| 3720 | S | 82.3 | Confident | 78.8 | Confident | 22 Ų | 22 | 47 Ų | 47 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | V3716 K3717 V3718 T3723 A3724 L3756 | V3716-S3720 VanDerWaalsContact O-CB 3.31Å; V3716-S3720 WeakPolarHBondContact O-CB 3.02Å; V3716-S3720 PolarHBondContact O-N 2.89Å; V3716-S3720 PolarHBondContact O-OG 3.46Å; K3717-S3720 WeakPolarHBondContact O-CB 3.26Å; K3717-S3720 PolarHBondContact O-N 3.27Å; K3717-S3720 VanDerWaalsContact O-N 3.13Å; V3718-S3720 VanDerWaalsContact C-N 3.29Å; V3718-S3720 PolarHBondContact O-N 2.82Å; S3720-T3723 PolarHBondContact O-N 2.98Å; S3720-A3724 WeakPolarHBondContact O-CB 3.46Å; S3720-A3724 PolarHBondContact O-N 3.29Å; S3720-L3756 WeakPolarHBondContact OG-CB 3.44Å |
| 3721 | E | 82.3 | Confident | 78.6 | Confident | 118 Ų | 118 | 49 Ų | 49 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 175.3 | -73.9 | 173.3 | -167.1 | 0 | 0 | 111.6 | K3717 V3718 T3723 A3724 S3725 | K3717-E3721 WeakPolarHBondContact O-CG 3.42Å; K3717-E3721 PolarHBondContact O-N 2.9Å; V3718-E3721 PolarHBondContact O-N 3.44Å; E3721-T3723 PolarHBondContact O-N 2.91Å; E3721-A3724 PolarHBondContact O-N 2.82Å; E3721-S3725 WeakPolarHBondContact O-CB 2.88Å; E3721-S3725 PolarHBondContact O-N 3.5Å |
| 3722 | I | 80.1 | Confident | 78.3 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.8 | -65.5 | 166.8 | 0 | 0 | 0 | 111 | F3673 N3677 F3680 F3692 V3718 A3724 S3725 A3726 | F3673-I3722 HydrophobicContact CB-CD1 3.68Å; F3673-I3722 HydrophobicContact CD1-CD1 3.9Å; F3673-I3722 HydrophobicContact CG-CD1 4.16Å; F3673-I3722 VanDerWaalsContact O-CD1 3.3Å; F3673-I3722 WeakPolarHBondContact O-CD1 3.33Å; N3677-I3722 HydrophobicContact CB-CG1 3.99Å; F3680-I3722 HydrophobicContact CD2-CG2 4.09Å; F3680-I3722 HydrophobicContact CE2-CG2 3.72Å; F3692-I3722 HydrophobicContact CD2-CG2 3.83Å; F3692-I3722 HydrophobicContact CE2-CB 4.39Å; F3692-I3722 HydrophobicContact CE2-CG2 3.54Å; F3692-I3722 HydrophobicContact CZ-CG2 4.07Å; V3718-I3722 HydrophobicContact CG1-CD1 3.91Å; V3718-I3722 WeakPolarHBondContact O-CG1 3.46Å; V3718-I3722 PolarHBondContact O-N 3.32Å; I3722-A3724 VanDerWaalsContact C-N 3.32Å; I3722-A3724 PolarHBondContact O-N 3.48Å; I3722-S3725 PolarHBondContact O-N 2.95Å; I3722-A3726 WeakPolarHBondContact O-CB 3.47Å; I3722-A3726 PolarHBondContact O-N 2.95Å |
| 3723 | T | 81.4 | Confident | 77.5 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | L3719 S3720 E3721 L3727 L3749 A3752 | L3719-T3723 VanDerWaalsContact O-CB 3.31Å; L3719-T3723 WeakPolarHBondContact O-CB 3.33Å; L3719-T3723 PolarHBondContact O-N 2.94Å; L3719-T3723 PolarHBondContact O-OG1 3.19Å; S3720-T3723 PolarHBondContact O-N 2.98Å; E3721-T3723 PolarHBondContact O-N 2.91Å; T3723-L3727 VanDerWaalsContact O-CB 3.22Å; T3723-L3727 WeakPolarHBondContact O-CB 3.49Å; T3723-L3727 PolarHBondContact O-N 2.86Å; T3723-L3749 HydrophobicContact CG2-CD2 4.42Å; T3723-L3749 WeakPolarHBondContact CG2-O 3.35Å; T3723-A3752 HydrophobicContact CG2-CB 4.46Å |
| 3724 | A | 82.3 | Confident | 76.4 | Confident | 45 Ų | 45 | 52 Ų | 52 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S3720 E3721 I3722 A3726 L3727 D3728 | S3720-A3724 WeakPolarHBondContact O-CB 3.46Å; S3720-A3724 PolarHBondContact O-N 3.29Å; E3721-A3724 PolarHBondContact O-N 2.82Å; I3722-A3724 VanDerWaalsContact C-N 3.32Å; I3722-A3724 PolarHBondContact O-N 3.48Å; A3724-A3726 PolarHBondContact O-N 2.98Å; A3724-L3727 PolarHBondContact O-N 3.36Å; A3724-D3728 WeakPolarHBondContact O-CB 3.45Å; A3724-D3728 PolarHBondContact O-N 3.48Å |
| 3725 | S | 79.2 | Confident | 75.2 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 177 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | N3677 E3721 I3722 L3727 D3728 S3729 | N3677-S3725 WeakPolarHBondContact OD1-CB 3.46Å; E3721-S3725 WeakPolarHBondContact O-CB 2.88Å; E3721-S3725 PolarHBondContact O-N 3.5Å; I3722-S3725 PolarHBondContact O-N 2.95Å; S3725-L3727 VanDerWaalsContact C-N 3.32Å; S3725-L3727 PolarHBondContact O-N 3.33Å; S3725-D3728 PolarHBondContact O-N 3.42Å; S3725-S3729 WeakPolarHBondContact O-CB 3.45Å; S3725-S3729 PolarHBondContact O-N 2.98Å; S3725-S3729 PolarHBondContact O-OG 3.18Å |
| 3726 | A | 75.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F3680 F3692 I3722 A3724 L3730 L3749 | F3680-A3726 HydrophobicContact CD1-CB 4.25Å; F3680-A3726 HydrophobicContact CD2-CB 4.36Å; F3680-A3726 HydrophobicContact CE1-CB 4.24Å; F3680-A3726 HydrophobicContact CE2-CB 4.36Å; F3680-A3726 HydrophobicContact CG-CB 4.33Å; F3680-A3726 HydrophobicContact CZ-CB 4.31Å; F3692-A3726 HydrophobicContact CD1-CB 4.33Å; F3692-A3726 HydrophobicContact CE1-CB 3.82Å; F3692-A3726 HydrophobicContact CZ-CB 4.5Å; I3722-A3726 WeakPolarHBondContact O-CB 3.47Å; I3722-A3726 PolarHBondContact O-N 2.95Å; A3724-A3726 PolarHBondContact O-N 2.98Å; A3726-L3730 WeakPolarHBondContact O-CB 3.22Å; A3726-L3730 VanDerWaalsContact O-CD1 3.3Å; A3726-L3730 WeakPolarHBondContact O-CD1 3.3Å; A3726-L3730 PolarHBondContact O-N 2.64Å; A3726-L3749 HydrophobicContact CB-CD1 4.46Å |
| 3727 | L | 78 | Confident | 72.2 | Confident | 26 Ų | 26 | 59 Ų | 59 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 175.8 | -174.6 | 65.7 | 0 | 0 | 0 | 111.9 | T3723 A3724 S3725 K3731 I3746 L3749 E3750 | T3723-L3727 VanDerWaalsContact O-CB 3.22Å; T3723-L3727 WeakPolarHBondContact O-CB 3.49Å; T3723-L3727 PolarHBondContact O-N 2.86Å; A3724-L3727 PolarHBondContact O-N 3.36Å; S3725-L3727 VanDerWaalsContact C-N 3.32Å; S3725-L3727 PolarHBondContact O-N 3.33Å; L3727-K3731 HydrophobicContact CD1-CD 4.38Å; L3727-K3731 HydrophobicContact CG-CD 4.11Å; L3727-K3731 VanDerWaalsContact O-CB 3.32Å; L3727-K3731 WeakPolarHBondContact O-CB 3.35Å; L3727-K3731 VanDerWaalsContact O-CG 3.23Å; L3727-K3731 WeakPolarHBondContact O-CG 3.03Å; L3727-K3731 PolarHBondContact O-N 3.15Å; L3727-I3746 HydrophobicContact CD1-CG2 3.97Å; L3727-L3749 HydrophobicContact CD1-CB 4.33Å; L3727-E3750 HydrophobicContact CD1-CG 4.03Å; L3727-E3750 HydrophobicContact CD2-CG 4.07Å |
| 3728 | D | 78.2 | Confident | 70.7 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 176.8 | -74.4 | -16.3 | 0 | 0 | 0 | 110.9 | A3724 S3725 K3731 L3732 | A3724-D3728 WeakPolarHBondContact O-CB 3.45Å; A3724-D3728 PolarHBondContact O-N 3.48Å; S3725-D3728 PolarHBondContact O-N 3.42Å; D3728-K3731 PolarHBondContact O-N 2.64Å; D3728-L3732 WeakPolarHBondContact O-CB 3.31Å; D3728-L3732 PolarHBondContact O-N 3.12Å |
| 3729 | S | 75 | Confident | 68.6 | Low | 28 Ų | 28 | 60.2 Ų | 60.2 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | F3680 S3725 K3731 L3732 D3733 | F3680-S3729 WeakPolarHBondContact O-CB 3.43Å; F3680-S3729 PolarHBondContact O-OG 3.15Å; S3725-S3729 WeakPolarHBondContact O-CB 3.45Å; S3725-S3729 PolarHBondContact O-N 2.98Å; S3725-S3729 PolarHBondContact O-OG 3.18Å; S3729-K3731 VanDerWaalsContact C-N 3.3Å; S3729-K3731 PolarHBondContact O-N 3.13Å; S3729-L3732 PolarHBondContact O-N 2.72Å; S3729-D3733 WeakPolarHBondContact O-CB 3.49Å; S3729-D3733 PolarHBondContact O-N 3.05Å |
| 3730 | L | 71.2 | Confident | 67 | Low | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.9 | -33.8 | 173.6 | -99.8 | 112.8 | 0 | 0 | 0 | 112.7 | Y3689 A3726 W3738 K3742 T3745 I3746 L3749 | Y3689-L3730 HydrophobicContact CD1-CD1 4.47Å; Y3689-L3730 HydrophobicContact CE1-CD1 3.4Å; Y3689-L3730 WeakPolarHBondContact OH-CD1 3.25Å; A3726-L3730 WeakPolarHBondContact O-CB 3.22Å; A3726-L3730 VanDerWaalsContact O-CD1 3.3Å; A3726-L3730 WeakPolarHBondContact O-CD1 3.3Å; A3726-L3730 PolarHBondContact O-N 2.64Å; L3730-W3738 HydrophobicContact CD2-CH2 4.18Å; L3730-W3738 HydrophobicContact CD2-CZ2 4.26Å; L3730-W3738 HydrophobicContact CD2-CZ3 4.49Å; L3730-W3738 HydrophobicContact CG-CZ2 4.32Å; L3730-K3742 HydrophobicContact CD2-CG 4.23Å; L3730-K3742 WeakPolarHBondContact O-CE 3.18Å; L3730-K3742 PolarHBondContact O-NZ 3.32Å; L3730-T3745 HydrophobicContact CD2-CG2 4.05Å; L3730-I3746 HydrophobicContact CB-CG1 4.4Å; L3730-I3746 HydrophobicContact CD2-CG1 4.05Å; L3730-L3749 HydrophobicContact CD1-CD1 3.81Å |
| 3731 | K | 72.5 | Confident | 66 | Low | 109 Ų | 109 | 66.9 Ų | 66.9 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.5 | -31.5 | 177.6 | -77.8 | 174.9 | 179.3 | 175.5 | 0 | 112.5 | L3727 D3728 S3729 E3750 | L3727-K3731 HydrophobicContact CD1-CD 4.38Å; L3727-K3731 HydrophobicContact CG-CD 4.11Å; L3727-K3731 VanDerWaalsContact O-CB 3.32Å; L3727-K3731 WeakPolarHBondContact O-CB 3.35Å; L3727-K3731 VanDerWaalsContact O-CG 3.23Å; L3727-K3731 WeakPolarHBondContact O-CG 3.03Å; L3727-K3731 PolarHBondContact O-N 3.15Å; D3728-K3731 PolarHBondContact O-N 2.64Å; S3729-K3731 VanDerWaalsContact C-N 3.3Å; S3729-K3731 PolarHBondContact O-N 3.13Å; K3731-E3750 IonicContact NZ-OE1 3.19Å; K3731-E3750 PolarHBondContact NZ-OE1 3.48Å |
| 3732 | L | 68.5 | Low | 65.2 | Low | 144 Ų | 144 | 64.1 Ų | 64.1 | 75% | 0.754 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -81.4 | -27.8 | 176.2 | -109.9 | 80.5 | 0 | 0 | 0 | 113.7 | D3728 S3729 T3734 | D3728-L3732 WeakPolarHBondContact O-CB 3.31Å; D3728-L3732 PolarHBondContact O-N 3.12Å; S3729-L3732 PolarHBondContact O-N 2.72Å; L3732-T3734 PolarHBondContact O-N 3.3Å; L3732-T3734 VanDerWaalsContact O-N 3.12Å |
| 3733 | D | 63 | Low | 64.6 | Low | 28 Ų | 28 | 71.9 Ų | 71.9 | 15% | 0.15 | 38% | 0.383 | C | S | . | . | trans | -66.1 | 109.7 | -176.2 | -170.9 | 0.8 | 0 | 0 | 0 | 111.2 | T3684 S3729 S3735 W3738 K3742 | T3684-D3733 WeakPolarHBondContact CG2-OD2 3.43Å; S3729-D3733 WeakPolarHBondContact O-CB 3.49Å; S3729-D3733 PolarHBondContact O-N 3.05Å; D3733-S3735 VanDerWaalsContact OD1-CB 3.29Å; D3733-S3735 WeakPolarHBondContact OD1-CB 3.32Å; D3733-S3735 PolarHBondContact OD1-N 3.41Å; D3733-S3735 PolarHBondContact OD1-OG 3.24Å; D3733-S3735 PolarHBondContact OD2-OG 3.49Å; D3733-W3738 PolarHBondContact OD2-NE1 2.91Å; D3733-K3742 PolarHBondContact O-NZ 3.41Å | ||
| 3734 | T | 53.1 | Low | 63.9 | Low | 139 Ų | 139 | 75 Ų | 75 | 85% | 0.853 | 40% | 0.396 | S | S | * | . | trans | -91 | 5.8 | 177.5 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | L3732 | L3732-T3734 PolarHBondContact O-N 3.3Å; L3732-T3734 VanDerWaalsContact O-N 3.12Å | ||
| 3735 | S | 54.6 | Low | 63.2 | Low | 39 Ų | 39 | 73.8 Ų | 73.8 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | trans | -76.9 | 135.9 | -177.9 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | D3733 N3737 | D3733-S3735 VanDerWaalsContact OD1-CB 3.29Å; D3733-S3735 WeakPolarHBondContact OD1-CB 3.32Å; D3733-S3735 PolarHBondContact OD1-N 3.41Å; D3733-S3735 PolarHBondContact OD1-OG 3.24Å; D3733-S3735 PolarHBondContact OD2-OG 3.49Å; S3735-N3737 PolarHBondContact O-N 3.48Å; S3735-N3737 VanDerWaalsContact O-N 3.08Å | ||
| 3736 | D | 48.1 | Very low | 62.9 | Low | 157 Ų | 157 | 74.4 Ų | 74.4 | 84% | 0.84 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 12 | 175.4 | -74.8 | -29.5 | 0 | 0 | 0 | 113 | W3738 | D3736-W3738 PolarHBondContact O-N 3.19Š|
| 3737 | N | 48 | Very low | 62.8 | Low | 115 Ų | 115 | 80 Ų | 80 | 62% | 0.615 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -7.5 | -176 | -72.2 | -18.6 | 0 | 0 | 0 | 114.2 | S3735 L3739 N3854 | S3735-N3737 PolarHBondContact O-N 3.48Å; S3735-N3737 VanDerWaalsContact O-N 3.08Å; N3737-L3739 PolarHBondContact O-N 3.35Å; N3737-N3854 PolarHBondContact O-ND2 3.24Å |
| 3738 | W | 48.2 | Very low | 62.5 | Low | 72 Ų | 72 | 79.1 Ų | 79.1 | 27% | 0.273 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -96.1 | 83.8 | 176.5 | -64.7 | 81.5 | 0 | 0 | 0 | 109.8 | L3730 D3733 D3736 D3740 K3742 T3745 | L3730-W3738 HydrophobicContact CD2-CH2 4.18Å; L3730-W3738 HydrophobicContact CD2-CZ2 4.26Å; L3730-W3738 HydrophobicContact CD2-CZ3 4.49Å; L3730-W3738 HydrophobicContact CG-CZ2 4.32Å; D3733-W3738 PolarHBondContact OD2-NE1 2.91Å; D3736-W3738 PolarHBondContact O-N 3.19Å; W3738-D3740 PolarHBondContact O-N 3.32Å; W3738-K3742 HydrophobicContact CB-CB 4.1Å; W3738-K3742 HydrophobicContact CG-CB 4.49Å; W3738-T3745 HydrophobicContact CZ3-CG2 4.4Å |
| 3739 | L | 37 | Very low | 62.3 | Low | 89 Ų | 89 | 75 Ų | 75 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | trans | -59.3 | 121.2 | 169.6 | -114.5 | 82 | 0 | 0 | 0 | 109.3 | N3737 D3741 I3858 | N3737-L3739 PolarHBondContact O-N 3.35Å; L3739-D3741 PolarHBondContact O-N 3.19Å; L3739-I3858 WeakPolarHBondContact O-CD1 3.46Å | ||
| 3740 | D | 47.1 | Very low | 62.6 | Low | 147 Ų | 147 | 77.1 Ų | 77.1 | 79% | 0.786 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 66.3 | -9.5 | 162.9 | -72.3 | -12.8 | 0 | 0 | 0 | 123.5 | W3738 | W3738-D3740 PolarHBondContact O-N 3.32Š|
| 3741 | D | 61.4 | Low | 62.9 | Low | 28 Ų | 28 | 80.9 Ų | 80.9 | 15% | 0.15 | 41% | 0.41 | C | S | . | . | trans | -150.6 | 30.9 | -177.6 | -96 | -31.1 | 0 | 0 | 0 | 118 | L3739 E3743 K3744 T3745 I3858 C3862 | L3739-D3741 PolarHBondContact O-N 3.19Å; D3741-E3743 PolarHBondContact O-N 3.23Å; D3741-E3743 VanDerWaalsContact O-N 3.15Å; D3741-K3744 HydrophobicContact CB-CB 4.36Å; D3741-K3744 PolarHBondContact O-N 3.15Å; D3741-K3744 WeakPolarHBondContact OD1-CD 3.36Å; D3741-K3744 WeakPolarHBondContact OD1-CE 3.14Å; D3741-K3744 VanDerWaalsContact OD1-CG 3.32Å; D3741-K3744 WeakPolarHBondContact OD1-CG 3.4Å; D3741-K3744 IonicContact OD1-NZ 2.75Å; D3741-K3744 PolarHBondContact OD1-NZ 3.4Å; D3741-K3744 WeakPolarHBondContact OD2-CD 3.48Å; D3741-K3744 IonicContact OD2-NZ 2.67Å; D3741-K3744 PolarHBondContact OD2-NZ 2.86Å; D3741-T3745 PolarHBondContact O-N 3.46Å; D3741-T3745 PolarHBondContact O-OG1 3.16Å; D3741-I3858 HydrophobicContact CB-CG1 4.32Å; D3741-I3858 HydrophobicContact CB-CG2 3.89Å; D3741-I3858 VanDerWaalsContact OD2-CG2 3.26Å; D3741-I3858 WeakPolarHBondContact OD2-CG2 3.13Å; D3741-C3862 PolarHBondContact OD2-SG 2.94Å | ||
| 3742 | K | 65.4 | Low | 63.2 | Low | 60 Ų | 60 | 75.7 Ų | 75.7 | 26% | 0.261 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -50.5 | -39 | 170.8 | -172.5 | 177.6 | 179.1 | 178.4 | 0 | 112.1 | L3730 D3733 W3738 T3745 I3746 | L3730-K3742 HydrophobicContact CD2-CG 4.23Å; L3730-K3742 WeakPolarHBondContact O-CE 3.18Å; L3730-K3742 PolarHBondContact O-NZ 3.32Å; D3733-K3742 PolarHBondContact O-NZ 3.41Å; W3738-K3742 HydrophobicContact CB-CB 4.1Å; W3738-K3742 HydrophobicContact CG-CB 4.49Å; K3742-T3745 PolarHBondContact O-N 3.31Å; K3742-I3746 HydrophobicContact CG-CD1 4.08Å; K3742-I3746 VanDerWaalsContact O-CG1 3.32Å; K3742-I3746 WeakPolarHBondContact O-CG1 3.14Å; K3742-I3746 PolarHBondContact O-N 2.99Å |
| 3743 | E | 68 | Low | 63.6 | Low | 164 Ų | 164 | 69.7 Ų | 69.7 | 77% | 0.766 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.5 | -40.3 | -177.3 | -151.7 | 166.1 | -154.5 | 0 | 0 | 112.9 | D3741 I3746 E3747 | D3741-E3743 PolarHBondContact O-N 3.23Å; D3741-E3743 VanDerWaalsContact O-N 3.15Å; E3743-I3746 PolarHBondContact O-N 3.42Å; E3743-E3747 PolarHBondContact O-N 3.39Å |
| 3744 | K | 67.5 | Low | 64.4 | Low | 70 Ų | 70 | 76.4 Ų | 76.4 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | 175.4 | -70.5 | -170.7 | -167.6 | 126.6 | 0 | 112.8 | D3741 E3747 A3748 C3862 | D3741-K3744 HydrophobicContact CB-CB 4.36Å; D3741-K3744 PolarHBondContact O-N 3.15Å; D3741-K3744 WeakPolarHBondContact OD1-CD 3.36Å; D3741-K3744 WeakPolarHBondContact OD1-CE 3.14Å; D3741-K3744 VanDerWaalsContact OD1-CG 3.32Å; D3741-K3744 WeakPolarHBondContact OD1-CG 3.4Å; D3741-K3744 IonicContact OD1-NZ 2.75Å; D3741-K3744 PolarHBondContact OD1-NZ 3.4Å; D3741-K3744 WeakPolarHBondContact OD2-CD 3.48Å; D3741-K3744 IonicContact OD2-NZ 2.67Å; D3741-K3744 PolarHBondContact OD2-NZ 2.86Å; K3744-E3747 PolarHBondContact O-N 2.94Å; K3744-A3748 WeakPolarHBondContact O-CB 3.48Å; K3744-A3748 PolarHBondContact O-N 3.41Å; K3744-C3862 VanDerWaalsContact CD-SG 3.54Å; K3744-C3862 PolarHBondContact NZ-SG 3.05Å |
| 3745 | T | 66.4 | Low | 65.6 | Low | 19 Ų | 19 | 71.7 Ų | 71.7 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 175.9 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | L3730 W3738 D3741 K3742 A3748 L3749 L3861 | L3730-T3745 HydrophobicContact CD2-CG2 4.05Å; W3738-T3745 HydrophobicContact CZ3-CG2 4.4Å; D3741-T3745 PolarHBondContact O-N 3.46Å; D3741-T3745 PolarHBondContact O-OG1 3.16Å; K3742-T3745 PolarHBondContact O-N 3.31Å; T3745-A3748 PolarHBondContact O-N 3.05Å; T3745-L3749 HydrophobicContact CG2-CD1 4.43Å; T3745-L3749 VanDerWaalsContact O-CG 3.28Å; T3745-L3749 WeakPolarHBondContact O-CG 3.32Å; T3745-L3749 PolarHBondContact O-N 3.29Å; T3745-L3861 HydrophobicContact CG2-CD1 4.46Å |
| 3746 | I | 73 | Confident | 66.8 | Low | 32 Ų | 32 | 70 Ų | 70 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 172.2 | -71 | 168.5 | 0 | 0 | 0 | 110.7 | L3727 L3730 K3742 E3743 A3748 L3749 E3750 | L3727-I3746 HydrophobicContact CD1-CG2 3.97Å; L3730-I3746 HydrophobicContact CB-CG1 4.4Å; L3730-I3746 HydrophobicContact CD2-CG1 4.05Å; K3742-I3746 HydrophobicContact CG-CD1 4.08Å; K3742-I3746 VanDerWaalsContact O-CG1 3.32Å; K3742-I3746 WeakPolarHBondContact O-CG1 3.14Å; K3742-I3746 PolarHBondContact O-N 2.99Å; E3743-I3746 PolarHBondContact O-N 3.42Å; I3746-A3748 PolarHBondContact O-N 2.65Å; I3746-L3749 PolarHBondContact O-N 2.97Å; I3746-E3750 HydrophobicContact CG2-CG 4.38Å; I3746-E3750 WeakPolarHBondContact O-CG 3.28Å; I3746-E3750 PolarHBondContact O-N 3.05Å |
| 3747 | E | 75.8 | Confident | 68 | Low | 119 Ų | 119 | 68.2 Ų | 68.2 | 56% | 0.556 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.3 | -43.4 | -179.9 | -168.4 | 176.4 | -162 | 0 | 0 | 112.4 | E3743 K3744 L3749 E3750 Q3751 | E3743-E3747 PolarHBondContact O-N 3.39Å; K3744-E3747 PolarHBondContact O-N 2.94Å; E3747-L3749 PolarHBondContact O-N 3.33Å; E3747-E3750 PolarHBondContact O-N 2.67Å; E3747-Q3751 WeakPolarHBondContact O-CB 3.32Å; E3747-Q3751 PolarHBondContact O-N 2.75Å |
| 3748 | A | 70.9 | Confident | 69.3 | Low | 7 Ų | 7 | 69.2 Ų | 69.2 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K3744 T3745 I3746 Q3751 A3752 L3861 | K3744-A3748 WeakPolarHBondContact O-CB 3.48Å; K3744-A3748 PolarHBondContact O-N 3.41Å; T3745-A3748 PolarHBondContact O-N 3.05Å; I3746-A3748 PolarHBondContact O-N 2.65Å; A3748-Q3751 PolarHBondContact O-N 3.41Å; A3748-A3752 WeakPolarHBondContact O-CB 3.4Å; A3748-A3752 PolarHBondContact O-N 3.24Å; A3748-L3861 HydrophobicContact CB-CD2 4.08Å |
| 3749 | L | 74.6 | Confident | 70.5 | Confident | 10 Ų | 10 | 67.5 Ų | 67.5 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 176.2 | -70.5 | 176.2 | 0 | 0 | 0 | 112.3 | F3692 T3723 A3726 L3727 L3730 T3745 I3746 E3747 Q3751 A3752 G3753 | F3692-L3749 HydrophobicContact CD1-CD2 4.31Å; F3692-L3749 HydrophobicContact CE1-CD2 3.41Å; F3692-L3749 VanDerWaalsContact CE1-CD2 3.41Å; F3692-L3749 HydrophobicContact CZ-CD2 4.12Å; T3723-L3749 HydrophobicContact CG2-CD2 4.42Å; T3723-L3749 WeakPolarHBondContact CG2-O 3.35Å; A3726-L3749 HydrophobicContact CB-CD1 4.46Å; L3727-L3749 HydrophobicContact CD1-CB 4.33Å; L3730-L3749 HydrophobicContact CD1-CD1 3.81Å; T3745-L3749 HydrophobicContact CG2-CD1 4.43Å; T3745-L3749 VanDerWaalsContact O-CG 3.28Å; T3745-L3749 WeakPolarHBondContact O-CG 3.32Å; T3745-L3749 PolarHBondContact O-N 3.29Å; I3746-L3749 PolarHBondContact O-N 2.97Å; E3747-L3749 PolarHBondContact O-N 3.33Å; L3749-Q3751 VanDerWaalsContact C-N 3.3Å; L3749-Q3751 PolarHBondContact O-N 3.23Å; L3749-A3752 PolarHBondContact O-N 3.39Å; L3749-G3753 PolarHBondContact O-N 2.96Å |
| 3750 | E | 80.1 | Confident | 72.1 | Confident | 71 Ų | 71 | 66.2 Ų | 66.2 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 173.4 | -72.9 | -171.3 | 170.3 | 0 | 0 | 111.4 | L3727 K3731 I3746 E3747 G3753 R3754 | L3727-E3750 HydrophobicContact CD1-CG 4.03Å; L3727-E3750 HydrophobicContact CD2-CG 4.07Å; K3731-E3750 IonicContact NZ-OE1 3.19Å; K3731-E3750 PolarHBondContact NZ-OE1 3.48Å; I3746-E3750 HydrophobicContact CG2-CG 4.38Å; I3746-E3750 WeakPolarHBondContact O-CG 3.28Å; I3746-E3750 PolarHBondContact O-N 3.05Å; E3747-E3750 PolarHBondContact O-N 2.67Å; E3750-G3753 PolarHBondContact O-N 3.37Å; E3750-R3754 VanDerWaalsContact O-CG 3.31Å; E3750-R3754 WeakPolarHBondContact O-CG 3.46Å; E3750-R3754 PolarHBondContact O-N 3.21Å |
| 3751 | Q | 78.7 | Confident | 72.5 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 174.5 | -170.7 | -178.4 | 1.9 | 0 | 0 | 111.8 | F3700 E3747 A3748 L3749 G3753 R3754 I3755 | F3700-Q3751 HydrophobicContact CE1-CB 4.41Å; F3700-Q3751 HydrophobicContact CE1-CG 3.87Å; F3700-Q3751 HydrophobicContact CZ-CB 4.13Å; F3700-Q3751 HydrophobicContact CZ-CG 4.1Å; E3747-Q3751 WeakPolarHBondContact O-CB 3.32Å; E3747-Q3751 PolarHBondContact O-N 2.75Å; A3748-Q3751 PolarHBondContact O-N 3.41Å; L3749-Q3751 VanDerWaalsContact C-N 3.3Å; L3749-Q3751 PolarHBondContact O-N 3.23Å; Q3751-G3753 VanDerWaalsContact C-N 3.34Å; Q3751-G3753 PolarHBondContact O-N 3.44Å; Q3751-R3754 PolarHBondContact O-N 3.04Å; Q3751-I3755 HydrophobicContact CG-CD1 4.4Å; Q3751-I3755 WeakPolarHBondContact O-CG1 3.39Å; Q3751-I3755 PolarHBondContact O-N 3.36Å |
| 3752 | A | 76.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I3696 L3699 F3700 T3723 A3748 L3749 R3754 I3755 L3756 | I3696-A3752 HydrophobicContact CD1-CB 3.64Å; I3696-A3752 HydrophobicContact CG2-CB 4.48Å; L3699-A3752 HydrophobicContact CD2-CB 4.29Å; F3700-A3752 HydrophobicContact CE2-CB 4.33Å; F3700-A3752 HydrophobicContact CZ-CB 4.03Å; T3723-A3752 HydrophobicContact CG2-CB 4.46Å; A3748-A3752 WeakPolarHBondContact O-CB 3.4Å; A3748-A3752 PolarHBondContact O-N 3.24Å; L3749-A3752 PolarHBondContact O-N 3.39Å; A3752-R3754 VanDerWaalsContact C-N 3.33Å; A3752-R3754 PolarHBondContact O-N 3.24Å; A3752-I3755 PolarHBondContact O-N 3.15Å; A3752-L3756 WeakPolarHBondContact O-CG 3.48Å; A3752-L3756 PolarHBondContact O-N 2.65Å |
| 3753 | G | 78.3 | Confident | 70 | Confident | 19 Ų | 19 | 72 Ų | 72 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L3749 E3750 Q3751 L3756 M3757 | L3749-G3753 PolarHBondContact O-N 2.96Å; E3750-G3753 PolarHBondContact O-N 3.37Å; Q3751-G3753 VanDerWaalsContact C-N 3.34Å; Q3751-G3753 PolarHBondContact O-N 3.44Å; G3753-L3756 PolarHBondContact O-N 2.96Å; G3753-M3757 WeakPolarHBondContact O-CB 3.31Å; G3753-M3757 WeakPolarHBondContact O-CG 3.31Å; G3753-M3757 PolarHBondContact O-N 3.46Å |
| 3754 | R | 79.6 | Confident | 68.3 | Low | 168 Ų | 168 | 70.2 Ų | 70.2 | 63% | 0.634 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.7 | -42.3 | 174.6 | -71.3 | 174.8 | -164.1 | -166.6 | 8.5 | 112.5 | E3750 Q3751 A3752 M3757 N3758 | E3750-R3754 VanDerWaalsContact O-CG 3.31Å; E3750-R3754 WeakPolarHBondContact O-CG 3.46Å; E3750-R3754 PolarHBondContact O-N 3.21Å; Q3751-R3754 PolarHBondContact O-N 3.04Å; A3752-R3754 VanDerWaalsContact C-N 3.33Å; A3752-R3754 PolarHBondContact O-N 3.24Å; R3754-M3757 PolarHBondContact O-N 2.66Å; R3754-N3758 WeakPolarHBondContact O-CB 3.41Å; R3754-N3758 PolarHBondContact O-N 3.41Å; R3754-N3758 PolarHBondContact O-ND2 3.13Å |
| 3755 | I | 78 | Confident | 66.6 | Low | 41 Ų | 41 | 72.3 Ų | 72.3 | 21% | 0.21 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 177.9 | -68.4 | 168.6 | 0 | 0 | 0 | 110.2 | L3699 F3700 Q3751 A3752 M3757 N3758 L3759 | L3699-I3755 HydrophobicContact CD2-CG2 4.41Å; F3700-I3755 HydrophobicContact CD1-CD1 3.95Å; F3700-I3755 HydrophobicContact CE1-CD1 3.46Å; F3700-I3755 VanDerWaalsContact CE1-CD1 3.46Å; F3700-I3755 HydrophobicContact CZ-CD1 4.4Å; Q3751-I3755 HydrophobicContact CG-CD1 4.4Å; Q3751-I3755 WeakPolarHBondContact O-CG1 3.39Å; Q3751-I3755 PolarHBondContact O-N 3.36Å; A3752-I3755 PolarHBondContact O-N 3.15Å; I3755-M3757 PolarHBondContact O-N 3.03Å; I3755-N3758 PolarHBondContact O-N 3.13Å; I3755-L3759 HydrophobicContact CG2-CD1 4.5Å; I3755-L3759 WeakPolarHBondContact O-CG 3.22Å; I3755-L3759 PolarHBondContact O-N 3.1Å |
| 3756 | L | 79.2 | Confident | 64.9 | Low | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.01 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 178.4 | -69.3 | 167.9 | 0 | 0 | 0 | 111.9 | L3699 V3716 L3719 S3720 A3752 G3753 N3758 L3759 | L3699-L3756 HydrophobicContact CD2-CD2 4.41Å; L3699-L3756 HydrophobicContact CD2-CG 4.29Å; V3716-L3756 HydrophobicContact CG1-CB 4.47Å; V3716-L3756 HydrophobicContact CG1-CD2 4.39Å; V3716-L3756 WeakPolarHBondContact CG1-O 3.48Å; L3719-L3756 HydrophobicContact CB-CD1 3.91Å; L3719-L3756 HydrophobicContact CB-CD2 4.07Å; L3719-L3756 HydrophobicContact CD1-CD2 4.36Å; S3720-L3756 WeakPolarHBondContact OG-CB 3.44Å; A3752-L3756 WeakPolarHBondContact O-CG 3.48Å; A3752-L3756 PolarHBondContact O-N 2.65Å; G3753-L3756 PolarHBondContact O-N 2.96Å; L3756-N3758 VanDerWaalsContact C-N 3.33Å; L3756-N3758 PolarHBondContact O-N 3.44Å; L3756-L3759 WeakPolarHBondContact O-CB 3.39Å; L3756-L3759 PolarHBondContact O-N 3.36Å; L3756-L3759 VanDerWaalsContact O-N 3.17Å |
| 3757 | M | 74.6 | Confident | 62.9 | Low | 120 Ų | 120 | 82.7 Ų | 82.7 | 59% | 0.591 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.8 | -35.2 | 176.1 | -72.4 | -68.8 | -82.7 | 0 | 0 | 112.8 | G3753 R3754 I3755 L3759 I3760 | G3753-M3757 WeakPolarHBondContact O-CB 3.31Å; G3753-M3757 WeakPolarHBondContact O-CG 3.31Å; G3753-M3757 PolarHBondContact O-N 3.46Å; R3754-M3757 PolarHBondContact O-N 2.66Å; I3755-M3757 PolarHBondContact O-N 3.03Å; M3757-L3759 PolarHBondContact O-N 3.03Å; M3757-I3760 WeakPolarHBondContact O-CB 3.23Å; M3757-I3760 PolarHBondContact O-N 3.15Å; M3757-I3760 HydrophobicContact SD-CD1 3.88Å |
| 3758 | N | 75.6 | Confident | 60.6 | Low | 137 Ų | 137 | 84 Ų | 84 | 73% | 0.733 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.2 | -20.1 | 176.1 | -72.7 | -22.9 | 0 | 0 | 0 | 113.3 | R3754 I3755 L3756 I3760 | R3754-N3758 WeakPolarHBondContact O-CB 3.41Å; R3754-N3758 PolarHBondContact O-N 3.41Å; R3754-N3758 PolarHBondContact O-ND2 3.13Å; I3755-N3758 PolarHBondContact O-N 3.13Å; L3756-N3758 VanDerWaalsContact C-N 3.33Å; L3756-N3758 PolarHBondContact O-N 3.44Å; N3758-I3760 VanDerWaalsContact C-N 3.28Å |
| 3759 | L | 73.6 | Confident | 58.6 | Low | 36 Ų | 36 | 90.8 Ų | 90.8 | 19% | 0.188 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -10.2 | 174.1 | -68.5 | 167.4 | 0 | 0 | 0 | 112.6 | I3706 L3709 V3716 I3755 L3756 M3757 P3761 | I3706-L3759 HydrophobicContact CG2-CD2 4.05Å; L3709-L3759 HydrophobicContact CB-CD1 4.18Å; V3716-L3759 HydrophobicContact CG1-CB 4.23Å; V3716-L3759 HydrophobicContact CG2-CB 4.42Å; I3755-L3759 HydrophobicContact CG2-CD1 4.5Å; I3755-L3759 WeakPolarHBondContact O-CG 3.22Å; I3755-L3759 PolarHBondContact O-N 3.1Å; L3756-L3759 WeakPolarHBondContact O-CB 3.39Å; L3756-L3759 PolarHBondContact O-N 3.36Å; L3756-L3759 VanDerWaalsContact O-N 3.17Å; M3757-L3759 PolarHBondContact O-N 3.03Å; L3759-P3761 WeakPolarHBondContact O-CD 3.45Å |
| 3760 | I | 69.8 | Low | 56.6 | Low | 62 Ų | 62 | 99.6 Ų | 99.6 | 32% | 0.318 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -84.6 | 116.4 | 175.4 | -56.1 | 175.7 | 0 | 0 | 0 | 108.9 | V3716 M3757 N3758 S3762 | V3716-I3760 HydrophobicContact CG1-CG1 3.98Å; M3757-I3760 WeakPolarHBondContact O-CB 3.23Å; M3757-I3760 PolarHBondContact O-N 3.15Å; M3757-I3760 HydrophobicContact SD-CD1 3.88Å; N3758-I3760 VanDerWaalsContact C-N 3.28Å; I3760-S3762 PolarHBondContact O-N 3.14Å |
| 3761 | P | 54.4 | Low | 54.2 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | trans | -61.8 | 125.1 | -178.2 | -21.4 | 32.3 | 0 | 0 | 0 | 112.4 | L3759 I3763 | L3759-P3761 WeakPolarHBondContact O-CD 3.45Å; P3761-I3763 PolarHBondContact O-N 2.91Å | ||
| 3762 | S | 38.9 | Very low | 51.7 | Low | 123 Ų | 123 | 103.1 Ų | 103.1 | 86% | 0.86 | 58% | 0.575 | S | S | * | * | trans | -67.7 | 89.8 | 175.1 | -46.5 | 0 | 0 | 0 | 0 | 111.5 | I3760 | I3760-S3762 PolarHBondContact O-N 3.14Š| ||
| 3763 | I | 37.2 | Very low | 49.5 | Very low | 148 Ų | 148 | 109.3 Ų | 109.3 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | trans | -107.7 | 91.1 | 170.1 | -62.5 | 178 | 0 | 0 | 0 | 109.4 | P3761 | P3761-I3763 PolarHBondContact O-N 2.91Š| ||
| 3764 | V | 31.3 | Very low | 47.2 | Very low | 128 Ų | 128 | 114.9 Ų | 114.9 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | trans | -80 | 117.7 | 155.6 | 172.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3765 | T | 32 | Very low | 44.7 | Very low | 114 Ų | 114 | 114.8 Ų | 114.8 | 70% | 0.699 | 64% | 0.643 | S | S | * | * | trans | 155.3 | 132.1 | 140.8 | 41.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 3766 | L | 31.4 | Very low | 42.5 | Very low | 164 Ų | 164 | 119.8 Ų | 119.8 | 86% | 0.859 | 67% | 0.67 | S | S | * | * | trans | 95.8 | 138.9 | 164.2 | -59.4 | 156 | 0 | 0 | 0 | 117.7 | ||||
| 3767 | P | 30.1 | Very low | 40.3 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | -123.7 | 164.4 | -57.8 | 21.8 | -1 | 0 | 0 | 0 | 112.9 | D3769 | P3767-D3769 PolarHBondContact O-N 2.92Š| |||
| 3768 | N | 28.4 | Very low | 38.1 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | trans | -63.1 | 36.5 | -173.1 | -79.9 | -24 | 0 | 0 | 0 | 118.3 | ||||
| 3769 | D | 28.9 | Very low | 36 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 48.9 | -178.2 | -71.8 | -21.1 | 0 | 0 | 0 | 113.8 | P3767 | P3767-D3769 PolarHBondContact O-N 2.92Š|
| 3770 | M | 32 | Very low | 33.9 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 96% | 0.961 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.7 | 31.3 | 159.3 | -103.2 | -156 | 178.8 | 0 | 0 | 114.1 | ||
| 3771 | I | 29.7 | Very low | 32 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | trans | -107.2 | 119.1 | 166.4 | -63.5 | 177.5 | 0 | 0 | 0 | 108.9 | ||||
| 3772 | G | 26.5 | Very low | 31 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | trans | 138.8 | 114.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3773 | V | 30.3 | Very low | 30.7 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | -172.1 | 119.5 | 67.8 | 150.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 3774 | I | 28.9 | Very low | 30.4 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | trans | 67.1 | 134 | 131.3 | -55.3 | -179 | 0 | 0 | 0 | 118.4 | ||||
| 3775 | E | 28.8 | Very low | 30.5 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | -171.8 | 164.1 | -14.6 | -109.8 | 166.9 | 174.5 | 0 | 0 | 104.3 | ||||
| 3776 | N | 31.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -38.4 | 144.5 | 164.6 | -58 | -47.4 | 0 | 0 | 0 | 113.9 | ||||
| 3777 | D | 31.8 | Very low | 30.8 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | -157.6 | 113.3 | 123 | -94.5 | -23.2 | 0 | 0 | 0 | 110.5 | |||||
| 3778 | S | 30.1 | Very low | 31 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -59.9 | 151 | 157 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3779 | V | 30 | Very low | 31.3 | Very low | 119 Ų | 119 | 137 Ų | 137 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | 167.6 | 115.8 | 127.8 | 156.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 3780 | Q | 29.4 | Very low | 31.4 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | 59.3 | 123.5 | 137.4 | -59.8 | -173.5 | -78.7 | 0 | 0 | 123.3 | ||||
| 3781 | D | 30.8 | Very low | 31.4 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | 45.8 | 110.7 | 121.8 | -45.5 | -30.5 | 0 | 0 | 0 | 118.8 | |||||
| 3782 | D | 32.7 | Very low | 31.4 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | 166.1 | 125 | 109.9 | -92.5 | -16.9 | 0 | 0 | 0 | 111.2 | |||||
| 3783 | D | 32.1 | Very low | 31.6 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | 26.6 | 130 | 142.2 | -57.3 | -24.2 | 0 | 0 | 0 | 121.2 | ||||
| 3784 | G | 31.9 | Very low | 31.7 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | 156.6 | 79 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3785 | D | 33.8 | Very low | 31.7 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | 18 | 133.7 | 132.6 | -85.5 | -18 | 0 | 0 | 0 | 121.2 | ||||
| 3786 | L | 34.7 | Very low | 31.9 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | 87.3 | 120.5 | 138.9 | -63.3 | 164.8 | 0 | 0 | 0 | 120.6 | ||||
| 3787 | D | 34.5 | Very low | 31.7 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | 79 | 122.9 | 129.5 | -57.5 | -17.2 | 0 | 0 | 0 | 122.1 | |||||
| 3788 | D | 34.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | 71.7 | 131.9 | 134.7 | -88 | -18.2 | 0 | 0 | 0 | 122.6 | ||||
| 3789 | D | 34.2 | Very low | 31.4 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | trans | 79.2 | 108.8 | 137.8 | -77.4 | -30.9 | 0 | 0 | 0 | 121.3 | ||||
| 3790 | N | 31.2 | Very low | 31.4 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | 72 | 117.3 | 124.7 | -86.9 | -45.4 | 0 | 0 | 0 | 120.8 | |||||
| 3791 | A | 31.6 | Very low | 31.2 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | 82.7 | 125.3 | 124.4 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 3792 | N | 29.5 | Very low | 31 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | 78.2 | 118.5 | 149.9 | -59.2 | -25.9 | 0 | 0 | 0 | 118.1 | ||||
| 3793 | G | 31.6 | Very low | 30.7 | Very low | 82 Ų | 82 | 145.1 Ų | 145.1 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 176.6 | 87.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 3794 | D | 31.6 | Very low | 30.4 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -55.1 | 161.3 | 179.4 | -100 | -40 | 0 | 0 | 0 | 117.3 | ||||
| 3795 | E | 29.8 | Very low | 30.1 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | trans | 76.2 | 110 | 146.4 | -76.1 | 178.6 | 176.8 | 0 | 0 | 121.4 | ||||
| 3796 | N | 32.9 | Very low | 29.8 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | 177.5 | 94.7 | 99.9 | -91 | -53.1 | 0 | 0 | 0 | 114.8 | |||||
| 3797 | R | 28.1 | Very low | 29.4 | Very low | 213 Ų | 213 | 149.1 Ų | 149.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 33.9 | 118.8 | 119.9 | -163.4 | -178.3 | -166.8 | 177.5 | 4.8 | 120.1 | |||||
| 3798 | I | 29.7 | Very low | 29 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | -148 | 117.8 | 119 | -56.9 | -171.2 | 0 | 0 | 0 | 110 | |||||
| 3799 | T | 25.8 | Very low | 28.6 | Very low | 107 Ų | 107 | 153.1 Ų | 153.1 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | trans | -88.7 | 144.1 | 174.5 | 39.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3800 | F | 28.6 | Very low | 28.2 | Very low | 211 Ų | 211 | 157 Ų | 157 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -128.7 | 123.8 | 145.1 | -94.2 | -81.4 | 0 | 0 | 0 | 109.8 | ||||
| 3801 | A | 25.9 | Very low | 27.9 | Very low | 85 Ų | 85 | 153.9 Ų | 153.9 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -99.6 | 143.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3802 | Y | 26.1 | Very low | 27.7 | Very low | 233 Ų | 233 | 155.6 Ų | 155.6 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | trans | -136.6 | 110.9 | 146.6 | -114 | -86.6 | 0 | 0 | 0 | 111.5 | ||||
| 3803 | K | 26.8 | Very low | 27.5 | Very low | 196 Ų | 196 | 159 Ų | 159 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | -3.1 | 118.2 | 168.9 | -79.3 | 171 | 172.5 | 173.4 | 0 | 120.5 | ||||
| 3804 | N | 26.4 | Very low | 27.3 | Very low | 124 Ų | 124 | 165.7 Ų | 165.7 | 66% | 0.663 | 81% | 0.809 | S | S | * | * | trans | -66.9 | 139.6 | 154 | -137.3 | -6.2 | 0 | 0 | 0 | 111.8 | ||||
| 3805 | N | 25.5 | Very low | 27 | Very low | 155 Ų | 155 | 163 Ų | 163 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -172.5 | 88.5 | 152 | -95 | -13.5 | 0 | 0 | 0 | 108.7 | ||||
| 3806 | N | 27 | Very low | 26.8 | Very low | 163 Ų | 163 | 163.1 Ų | 163.1 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | 174.7 | 68.6 | 141.3 | -86.2 | -15.9 | 0 | 0 | 0 | 110.5 | ||||
| 3807 | E | 25.7 | Very low | 26.4 | Very low | 167 Ų | 167 | 169.4 Ų | 169.4 | 78% | 0.78 | 82% | 0.822 | S | S | * | * | trans | -85.1 | 116.7 | 155.4 | -78.8 | 179.7 | 156.8 | 0 | 0 | 108.4 | ||||
| 3808 | K | 26.7 | Very low | 26.3 | Very low | 202 Ų | 202 | 162.8 Ų | 162.8 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -176.4 | 127.5 | 144.6 | -101.7 | 159.7 | -170.6 | -177.2 | 0 | 111.6 | ||||
| 3809 | Q | 25.6 | Very low | 26.1 | Very low | 153 Ų | 153 | 164.8 Ų | 164.8 | 72% | 0.715 | 82% | 0.822 | S | S | * | * | S | Bend | trans | 82.1 | 66.5 | 159.3 | -62.1 | -174.3 | -14.7 | 0 | 0 | 120 | ||
| 3810 | Y | 27.2 | Very low | 26 | Very low | 204 Ų | 204 | 165.7 Ų | 165.7 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | trans | -154.5 | 64.9 | 140 | -93.7 | -74.2 | 0 | 0 | 0 | 108.9 | K3517 | K3517-Y3810 PolarHBondContact NZ-OH 3.38Š| ||
| 3811 | G | 24.8 | Very low | 25.9 | Very low | 76 Ų | 76 | 160.6 Ų | 160.6 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | -152.6 | 66.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3812 | S | 26.1 | Very low | 25.9 | Very low | 111 Ų | 111 | 165 Ų | 165 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | S | Bend | trans | 178.2 | 77.9 | 160.2 | 64.2 | 0 | 0 | 0 | 0 | 110 | ||
| 3813 | R | 26.2 | Very low | 26 | Very low | 240 Ų | 240 | 161.5 Ų | 161.5 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -171.3 | 8.3 | 160 | -111.5 | 169.2 | -172.3 | 178.9 | 2.9 | 117 | ||
| 3814 | F | 27.4 | Very low | 26.2 | Very low | 223 Ų | 223 | 160.7 Ų | 160.7 | 98% | 0.978 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -126.5 | 66.2 | 172.6 | -82.9 | -84 | 0 | 0 | 0 | 110.2 | ||
| 3815 | S | 25 | Very low | 26.5 | Very low | 100 Ų | 100 | 161.3 Ų | 161.3 | 70% | 0.699 | 84% | 0.835 | S | S | * | * | trans | -152.9 | 67 | 168.6 | 62.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3816 | N | 25.2 | Very low | 26.7 | Very low | 158 Ų | 158 | 159.6 Ų | 159.6 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -173.9 | 74.1 | 170.1 | -99.5 | -5 | 0 | 0 | 0 | 107.6 | ||||
| 3817 | W | 25.6 | Very low | 27.1 | Very low | 274 Ų | 274 | 161.1 Ų | 161.1 | 100% | 1.038 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -175.3 | 94 | 157.1 | -93.3 | 7.5 | 0 | 0 | 0 | 106.5 | ||
| 3818 | G | 25.7 | Very low | 27.2 | Very low | 73 Ų | 73 | 160.9 Ų | 160.9 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | S | Bend | trans | 135.2 | 63.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 3819 | K | 23.7 | Very low | 27.7 | Very low | 205 Ų | 205 | 158.4 Ų | 158.4 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | 165.3 | 83.2 | 166.1 | -95.6 | 167.3 | -172.3 | -170.8 | 0 | 108.4 | ||||
| 3820 | S | 24.1 | Very low | 27.9 | Very low | 126 Ų | 126 | 158.4 Ų | 158.4 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | trans | -169.1 | 106.4 | 163.6 | -73.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3821 | A | 28 | Very low | 28.4 | Very low | 105 Ų | 105 | 155.6 Ų | 155.6 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | trans | 130.4 | 59.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3822 | E | 25.3 | Very low | 29 | Very low | 178 Ų | 178 | 158 Ų | 158 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | -128.5 | 133.6 | 151.9 | -79.5 | -179 | 173.2 | 0 | 0 | 107.3 | ||||
| 3823 | N | 27.4 | Very low | 29.4 | Very low | 159 Ų | 159 | 158.3 Ų | 158.3 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | 103.3 | 142 | 170.6 | -53.9 | -25.9 | 0 | 0 | 0 | 118.1 | ||||
| 3824 | E | 31.5 | Very low | 29.7 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | 96.1 | 117.5 | -177.6 | -58.2 | -179.3 | -173.6 | 0 | 0 | 114.8 | ||||
| 3825 | D | 32.9 | Very low | 30.3 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | cis | -164.3 | 139.7 | -5.3 | -91.5 | -38.1 | 0 | 0 | 0 | 109.4 | ||||
| 3826 | V | 29.6 | Very low | 31.1 | Very low | 118 Ų | 118 | 153 Ų | 153 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | trans | -1.6 | 130 | 147.5 | -175.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3827 | E | 34.4 | Very low | 31.4 | Very low | 195 Ų | 195 | 148.6 Ų | 148.6 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | -159.7 | 117 | 117.4 | -106.3 | -176.9 | -163.6 | 0 | 0 | 111.7 | |||||
| 3828 | E | 28.5 | Very low | 31.8 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -79.1 | 144.3 | 176.5 | -64.9 | 167.5 | 151.3 | 0 | 0 | 111 | ||||
| 3829 | V | 36.4 | Very low | 32.5 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -140.8 | 122.6 | 144.6 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3830 | E | 30.9 | Very low | 33.1 | Very low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | trans | -67.5 | 154.1 | 178.9 | -57.4 | 170.3 | 148.8 | 0 | 0 | 112.5 | ||||
| 3831 | D | 38.6 | Very low | 34 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | 173.8 | 96.2 | 129 | -88.2 | -16.8 | 0 | 0 | 0 | 110.3 | |||||
| 3832 | D | 36 | Very low | 34.3 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | 55.2 | 120.8 | 111.3 | -80.3 | 11.8 | 0 | 0 | 0 | 122.1 | |||||
| 3833 | N | 34.6 | Very low | 34.9 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 63% | 0.631 | 76% | 0.76 | S | S | * | * | trans | 97.3 | 104.2 | 133 | -60.7 | -23 | 0 | 0 | 0 | 119.7 | ||||
| 3834 | D | 33.7 | Very low | 35.1 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 82 | 106.7 | 111.4 | -62 | -10.7 | 0 | 0 | 0 | 120.4 | |||||
| 3835 | D | 38.2 | Very low | 35.1 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 58% | 0.583 | 76% | 0.759 | S | S | * | * | 102.2 | 139.3 | 106 | -152.4 | 6.7 | 0 | 0 | 0 | 119.2 | |||||
| 3836 | Y | 42.3 | Very low | 35 | Very low | 208 Ų | 208 | 140.9 Ų | 140.9 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | 66.9 | 130.4 | 174.8 | -54.5 | -71.8 | 0 | 0 | 0 | 118.2 | ||||
| 3837 | G | 32.8 | Very low | 35 | Very low | 65 Ų | 65 | 138.5 Ų | 138.5 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | cis | 156.5 | 122 | 13.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 3838 | A | 33.6 | Very low | 34.8 | Very low | 86 Ų | 86 | 137.9 Ų | 137.9 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | 61.3 | 116.1 | 118.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 3839 | D | 39.5 | Very low | 34.9 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | 176.4 | 98.7 | 118.1 | -80.8 | -13.6 | 0 | 0 | 0 | 109.2 | |||||
| 3840 | D | 37.5 | Very low | 34.6 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | 27 | 128.5 | 125.6 | -53 | -23 | 0 | 0 | 0 | 119.6 | |||||
| 3841 | D | 41.5 | Very low | 34.9 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | 170.6 | 115.5 | 105.7 | -84.9 | -30.5 | 0 | 0 | 0 | 111.5 | |||||
| 3842 | D | 34.8 | Very low | 34.9 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | -4.2 | 137.8 | 151.5 | -55.3 | -38.7 | 0 | 0 | 0 | 120 | ||||
| 3843 | D | 37.9 | Very low | 35.1 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | -160.4 | 124.1 | 125.8 | -115.9 | -20.8 | 0 | 0 | 0 | 112.5 | |||||
| 3844 | D | 32.2 | Very low | 35.3 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | -68.4 | 135.1 | 179.7 | -67.2 | -57.2 | 0 | 0 | 0 | 113 | ||||
| 3845 | N | 32.2 | Very low | 35.5 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | trans | -168 | 90 | 145.8 | -107.5 | -40 | 0 | 0 | 0 | 110.8 | G3847 | N3845-G3847 PolarHBondContact O-N 2.84Š| ||
| 3846 | V | 29.2 | Very low | 35.7 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | trans | -84.9 | 104.1 | 165.2 | 178.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3847 | G | 30.3 | Very low | 35.4 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | trans | -87.8 | 117 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | N3845 E3849 | N3845-G3847 PolarHBondContact O-N 2.84Å; G3847-E3849 PolarHBondContact O-N 3.25Å | ||
| 3848 | E | 29.2 | Very low | 35.7 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | trans | -63.4 | 112.9 | 175.5 | -71.1 | 172.3 | 147.4 | 0 | 0 | 110.7 | ||||
| 3849 | E | 31 | Very low | 36.1 | Very low | 199 Ų | 199 | 128.5 Ų | 128.5 | 93% | 0.93 | 67% | 0.672 | S | S | * | * | trans | -85.7 | 116.1 | 166 | -86.8 | -176.4 | 157.3 | 0 | 0 | 109.3 | G3847 | G3847-E3849 PolarHBondContact O-N 3.25Š| ||
| 3850 | I | 30.5 | Very low | 36.2 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 69% | 0.687 | 65% | 0.651 | S | S | * | * | trans | -80.2 | 126.9 | -177.4 | -63.8 | 163.4 | 0 | 0 | 0 | 109.3 | E3852 | I3850-E3852 PolarHBondContact O-N 2.97Š| ||
| 3851 | D | 37.6 | Very low | 36.1 | Very low | 123 Ų | 123 | 118 Ų | 118 | 66% | 0.658 | 62% | 0.619 | S | S | * | * | trans | -79.7 | 110 | -173.7 | -156.9 | -4.6 | 0 | 0 | 0 | 111.8 | R3853 | D3851-R3853 PolarHBondContact O-N 3.4Š| ||
| 3852 | E | 38.7 | Very low | 36 | Very low | 120 Ų | 120 | 112.4 Ų | 112.4 | 56% | 0.561 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -71.5 | 13.6 | -172.7 | -68.5 | 179.6 | 153.6 | 0 | 0 | 115.3 | I3850 N3854 | I3850-E3852 PolarHBondContact O-N 2.97Å; E3852-N3854 PolarHBondContact O-N 3.11Å |
| 3853 | R | 40.2 | Very low | 36.3 | Very low | 208 Ų | 208 | 114.6 Ų | 114.6 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -79.1 | -5.7 | -174.1 | -91.6 | 177.3 | 174.4 | 178.6 | 0.5 | 116.1 | D3851 | D3851-R3853 PolarHBondContact O-N 3.4Š|
| 3854 | N | 38.9 | Very low | 36.3 | Very low | 57 Ų | 57 | 108.8 Ų | 108.8 | 31% | 0.305 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -87.6 | -16.1 | -171.9 | -74.5 | -24.6 | 0 | 0 | 0 | 115.4 | N3737 E3852 H3856 L3857 I3858 | N3737-N3854 PolarHBondContact O-ND2 3.24Å; E3852-N3854 PolarHBondContact O-N 3.11Å; N3854-H3856 PolarHBondContact O-N 2.99Å; N3854-L3857 PolarHBondContact O-N 3.37Å; N3854-I3858 WeakPolarHBondContact O-CD1 3.47Å; N3854-I3858 WeakPolarHBondContact O-CG1 3.32Å |
| 3855 | D | 37.1 | Very low | 36.5 | Very low | 101 Ų | 101 | 104.1 Ų | 104.1 | 54% | 0.54 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.3 | -27.9 | -173.4 | -82 | -4.2 | 0 | 0 | 0 | 115.2 | T3859 | D3855-T3859 PolarHBondContact O-N 3.39Å; D3855-T3859 PolarHBondContact O-OG1 3.32Å |
| 3856 | H | 42.1 | Very low | 36.6 | Very low | 166 Ų | 166 | 100.9 Ų | 100.9 | 77% | 0.769 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -76 | -29.3 | 179.8 | -93.1 | -59.5 | 0 | 0 | 0 | 113.7 | N3854 S3860 | N3854-H3856 PolarHBondContact O-N 2.99Å; H3856-S3860 PolarHBondContact O-OG 2.98Å |
| 3857 | L | 37.4 | Very low | 37 | Very low | 52 Ų | 52 | 98.7 Ų | 98.7 | 27% | 0.272 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.4 | -42 | 177.4 | -117.1 | 154.6 | 0 | 0 | 0 | 110.5 | Y3693 N3854 S3860 L3861 | Y3693-L3857 HydrophobicContact CD2-CD2 4.45Å; Y3693-L3857 HydrophobicContact CG-CD2 4.36Å; N3854-L3857 PolarHBondContact O-N 3.37Å; L3857-S3860 PolarHBondContact O-N 2.79Å; L3857-L3861 HydrophobicContact CD2-CD1 4.33Å; L3857-L3861 PolarHBondContact O-N 3.35Å |
| 3858 | I | 37.4 | Very low | 37.1 | Very low | 34 Ų | 34 | 99.2 Ų | 99.2 | 17% | 0.174 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -66.4 | -42.2 | -178.6 | -64.8 | 165.9 | 0 | 0 | 0 | 111.8 | L3739 D3741 N3854 S3860 L3861 C3862 | L3739-I3858 WeakPolarHBondContact O-CD1 3.46Å; D3741-I3858 HydrophobicContact CB-CG1 4.32Å; D3741-I3858 HydrophobicContact CB-CG2 3.89Å; D3741-I3858 VanDerWaalsContact OD2-CG2 3.26Å; D3741-I3858 WeakPolarHBondContact OD2-CG2 3.13Å; N3854-I3858 WeakPolarHBondContact O-CD1 3.47Å; N3854-I3858 WeakPolarHBondContact O-CG1 3.32Å; I3858-S3860 VanDerWaalsContact C-N 3.3Å; I3858-S3860 PolarHBondContact O-N 3.38Å; I3858-L3861 PolarHBondContact O-N 3.15Å; I3858-C3862 PolarHBondContact O-N 2.65Å; I3858-C3862 PolarHBondContact O-SG 2.91Å; I3858-C3862 VanDerWaalsContact O-SG 3.35Å |
| 3859 | T | 43.5 | Very low | 37.1 | Very low | 68 Ų | 68 | 97.9 Ų | 97.9 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -30.7 | -180 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | D3855 | D3855-T3859 PolarHBondContact O-N 3.39Å; D3855-T3859 PolarHBondContact O-OG1 3.32Å |
| 3860 | S | 41.7 | Very low | 37.1 | Very low | 51 Ų | 51 | 94.2 Ų | 94.2 | 36% | 0.357 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -80.5 | -37.4 | -179.2 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | Y3693 H3856 L3857 I3858 | Y3693-S3860 VanDerWaalsContact OH-C 3.3Å; Y3693-S3860 VanDerWaalsContact OH-CB 3.3Å; Y3693-S3860 WeakPolarHBondContact OH-CB 3.39Å; H3856-S3860 PolarHBondContact O-OG 2.98Å; L3857-S3860 PolarHBondContact O-N 2.79Å; I3858-S3860 VanDerWaalsContact C-N 3.3Å; I3858-S3860 PolarHBondContact O-N 3.38Å |
| 3861 | L | 35.1 | Very low | 37 | Very low | 13 Ų | 13 | 94.3 Ų | 94.3 | 7% | 0.068 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 173.6 | -84.1 | 158.4 | 0 | 0 | 0 | 112.9 | Y3693 T3745 A3748 L3857 I3858 R3863 I3864 | Y3693-L3861 HydrophobicContact CD2-CD2 4.25Å; Y3693-L3861 HydrophobicContact CD2-CG 4.36Å; Y3693-L3861 HydrophobicContact CE2-CD1 4.2Å; Y3693-L3861 HydrophobicContact CE2-CD2 3.51Å; Y3693-L3861 HydrophobicContact CE2-CG 3.52Å; Y3693-L3861 PolarHBondContact OH-N 3.1Å; T3745-L3861 HydrophobicContact CG2-CD1 4.46Å; A3748-L3861 HydrophobicContact CB-CD2 4.08Å; L3857-L3861 HydrophobicContact CD2-CD1 4.33Å; L3857-L3861 PolarHBondContact O-N 3.35Å; I3858-L3861 PolarHBondContact O-N 3.15Å; L3861-R3863 VanDerWaalsContact C-N 3.29Å; L3861-R3863 PolarHBondContact O-N 3.32Å; L3861-I3864 PolarHBondContact O-N 3.23Å |
| 3862 | C | 38.6 | Very low | 36.7 | Very low | 31 Ų | 31 | 93.5 Ų | 93.5 | 21% | 0.209 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -64.8 | -27.1 | -179.6 | -72.3 | 0 | 0 | 0 | 0 | 114.5 | D3741 K3744 I3858 T3865 S3866 | D3741-C3862 PolarHBondContact OD2-SG 2.94Å; K3744-C3862 VanDerWaalsContact CD-SG 3.54Å; K3744-C3862 PolarHBondContact NZ-SG 3.05Å; I3858-C3862 PolarHBondContact O-N 2.65Å; I3858-C3862 PolarHBondContact O-SG 2.91Å; I3858-C3862 VanDerWaalsContact O-SG 3.35Å; C3862-T3865 PolarHBondContact O-OG1 3.49Å; C3862-S3866 PolarHBondContact O-OG 3.39Å |
| 3863 | R | 41.6 | Very low | 36.6 | Very low | 184 Ų | 184 | 94.7 Ų | 94.7 | 69% | 0.694 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -75.3 | -28.6 | 179.7 | -77 | -178.5 | -177.8 | 151.4 | 3.7 | 113 | L3861 | L3861-R3863 VanDerWaalsContact C-N 3.29Å; L3861-R3863 PolarHBondContact O-N 3.32Å |
| 3864 | I | 38.8 | Very low | 36.4 | Very low | 45 Ų | 45 | 92.3 Ų | 92.3 | 23% | 0.231 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -77.7 | -43.4 | -176.7 | -62.6 | 170.4 | 0 | 0 | 0 | 110.4 | N3697 F3700 L3861 S3866 S3867 | N3697-I3864 VanDerWaalsContact OD1-CD1 3.3Å; N3697-I3864 WeakPolarHBondContact OD1-CD1 3.42Å; F3700-I3864 HydrophobicContact CB-CG2 4.37Å; L3861-I3864 PolarHBondContact O-N 3.23Å; I3864-S3866 VanDerWaalsContact C-N 3.3Å; I3864-S3866 PolarHBondContact O-N 3.01Å; I3864-S3867 PolarHBondContact O-N 3.49Å; I3864-S3867 PolarHBondContact O-OG 3.44Å |
| 3865 | T | 34.5 | Very low | 36.3 | Very low | 44 Ų | 44 | 94.7 Ų | 94.7 | 27% | 0.27 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69 | -25.2 | 179.6 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | C3862 | C3862-T3865 PolarHBondContact O-OG1 3.49Å |
| 3866 | S | 36.1 | Very low | 36.1 | Very low | 99 Ų | 99 | 97.9 Ų | 97.9 | 69% | 0.692 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -9 | -179.8 | -53.5 | 0 | 0 | 0 | 0 | 114.5 | C3862 I3864 | C3862-S3866 PolarHBondContact O-OG 3.39Å; I3864-S3866 VanDerWaalsContact C-N 3.3Å; I3864-S3866 PolarHBondContact O-N 3.01Å |
| 3867 | S | 36.7 | Very low | 35.6 | Very low | 93 Ų | 93 | 96.3 Ų | 96.3 | 65% | 0.65 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -103.4 | -4.1 | -169.2 | 67.4 | 0 | 0 | 0 | 0 | 115.3 | I3864 | I3864-S3867 PolarHBondContact O-N 3.49Å; I3864-S3867 PolarHBondContact O-OG 3.44Å |
| 3868 | S | 33.4 | Very low | 35.3 | Very low | 80 Ų | 80 | 101 Ų | 101 | 56% | 0.559 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -102.4 | 9.6 | -173.3 | 49.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 3869 | L | 28.6 | Very low | 35 | Very low | 153 Ų | 153 | 107.5 Ų | 107.5 | 80% | 0.801 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -128.4 | 82.2 | 172 | -83.3 | 95.4 | 0 | 0 | 0 | 112 | ||
| 3870 | S | 29.7 | Very low | 34.2 | Very low | 123 Ų | 123 | 111.8 Ų | 111.8 | 86% | 0.86 | 63% | 0.628 | S | S | * | * | trans | 179 | 112 | 141.9 | 43 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3871 | T | 28.4 | Very low | 33.5 | Very low | 136 Ų | 136 | 113.9 Ų | 113.9 | 83% | 0.834 | 64% | 0.643 | S | S | * | * | trans | -102 | 121.4 | 167.5 | 50.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3872 | S | 32.4 | Very low | 33 | Very low | 106 Ų | 106 | 118 Ų | 118 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | trans | 160.5 | 132.1 | 134.1 | 47.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3873 | D | 36.6 | Very low | 32.4 | Very low | 145 Ų | 145 | 123.6 Ų | 123.6 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | trans | 88.2 | 84.9 | 147.2 | -53.3 | -12.4 | 0 | 0 | 0 | 120.7 | ||||
| 3874 | D | 35.3 | Very low | 31.8 | Very low | 158 Ų | 158 | 122.7 Ų | 122.7 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | 60 | 150.8 | 116.7 | -83.7 | -10.7 | 0 | 0 | 0 | 124.1 | |||||
| 3875 | P | 37.8 | Very low | 31.3 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 69% | 0.688 | 72% | 0.722 | S | S | * | * | trans | -119.5 | -174.3 | -149.3 | 36.6 | -17.1 | 0 | 0 | 0 | 114.3 | ||||
| 3876 | E | 31.5 | Very low | 31.1 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 116.3 | 132.2 | 156.3 | -67.1 | -165.3 | 150.6 | 0 | 0 | 118.7 | ||||
| 3877 | L | 31.7 | Very low | 30.9 | Very low | 133 Ų | 133 | 136 Ų | 136 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | trans | 69.5 | 110.3 | 147.3 | -70.5 | 155.4 | 0 | 0 | 0 | 118.9 | ||||
| 3878 | D | 32.8 | Very low | 30.4 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | 177.6 | 150.5 | 94.2 | -98 | -28.8 | 0 | 0 | 0 | 114.4 | |||||
| 3879 | H | 29.8 | Very low | 30.4 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.787 | 76% | 0.761 | S | S | * | * | trans | -70.7 | 165.1 | 175.7 | -79.6 | -83.5 | 0 | 0 | 0 | 113.9 | ||||
| 3880 | L | 28.2 | Very low | 30.4 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | 102.3 | 108 | 151.2 | -69.3 | 137.1 | 0 | 0 | 0 | 119.7 | ||||
| 3881 | S | 25.3 | Very low | 30.6 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | 56.2 | 134.4 | 129.5 | 74.9 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 3882 | S | 26.4 | Very low | 30.6 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | 84 | 119.8 | 139.3 | 71 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 3883 | N | 25.3 | Very low | 30.4 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 48.8 | 144.7 | 133.1 | -66.2 | -13.3 | 0 | 0 | 0 | 122.1 | ||||
| 3884 | H | 29.1 | Very low | 30.1 | Very low | 165 Ų | 165 | 144 Ų | 144 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | 76.2 | 147.6 | 168.2 | -74.8 | -85.4 | 0 | 0 | 0 | 116.4 | ||||
| 3885 | E | 27.9 | Very low | 29.8 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 62% | 0.621 | 74% | 0.736 | S | S | * | * | cis | 172.8 | 159.2 | -22.6 | -149.8 | 176.1 | -168 | 0 | 0 | 104.5 | ||||
| 3886 | Y | 30.6 | Very low | 29.4 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 65% | 0.651 | 74% | 0.736 | S | S | * | * | trans | 74.2 | 125.7 | 158.7 | -82.3 | -77.7 | 0 | 0 | 0 | 121.8 | M3888 | Y3886-M3888 HydrophobicContact CD1-CG 4.04Å; Y3886-M3888 HydrophobicContact CE1-CE 4.33Å; Y3886-M3888 HydrophobicContact CE1-CG 4.32Å | ||
| 3887 | M | 30.7 | Very low | 29.5 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 84% | 0.837 | 74% | 0.736 | S | S | * | * | -169.5 | 110.5 | 97.7 | -86.7 | -160.1 | 77.6 | 0 | 0 | 109.1 | |||||
| 3888 | M | 27.9 | Very low | 29.4 | Very low | 125 Ų | 125 | 138 Ų | 138 | 62% | 0.616 | 74% | 0.736 | S | S | * | * | 70.2 | 112.2 | 90.1 | -86 | -162 | 179.6 | 0 | 0 | 116.9 | Y3886 | Y3886-M3888 HydrophobicContact CD1-CG 4.04Å; Y3886-M3888 HydrophobicContact CE1-CE 4.33Å; Y3886-M3888 HydrophobicContact CE1-CG 4.32Å | |||
| 3889 | S | 31.8 | Very low | 29.3 | Very low | 127 Ų | 127 | 136 Ų | 136 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -153.1 | 135.8 | 132.2 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3890 | H | 30.2 | Very low | 29.3 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 67% | 0.667 | 73% | 0.726 | S | S | * | * | trans | -87.3 | 154.3 | -165.6 | -87.9 | -66.5 | 0 | 0 | 0 | 114.7 | ||||
| 3891 | N | 32.4 | Very low | 29.3 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | 177.1 | 98.3 | 127.9 | -86.1 | -24.5 | 0 | 0 | 0 | 109.4 | |||||
| 3892 | I | 29.3 | Very low | 29.4 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | 78.4 | 105.7 | 81.8 | -68.2 | 177.8 | 0 | 0 | 0 | 115.2 | |||||
| 3893 | T | 28.1 | Very low | 29.4 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | 72.1 | 142.2 | 148.1 | 61 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3894 | R | 29.8 | Very low | 29.5 | Very low | 215 Ų | 215 | 133.7 Ų | 133.7 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | cis | -172.4 | 142.7 | 25.6 | -135.2 | 167.2 | 176.1 | 164.3 | -1.8 | 110.9 | ||||
| 3895 | T | 29.9 | Very low | 29.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | 72.6 | 105.2 | 138.4 | 43.9 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 3896 | S | 29 | Very low | 29.3 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | 69.6 | 122.3 | 115.3 | 62.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 3897 | T | 33.2 | Very low | 29 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | 178.1 | 117.5 | 103.2 | 30.2 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 3898 | S | 30.5 | Very low | 29 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | 85 | 136.7 | 88.3 | 105.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 3899 | T | 30.9 | Very low | 28.9 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | cis | -175.9 | 137.1 | 7.1 | 16.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3900 | I | 28.9 | Very low | 29 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | 96.4 | 109.1 | 108.9 | -75.1 | 175.1 | 0 | 0 | 0 | 114.3 | |||||
| 3901 | V | 27.6 | Very low | 28.9 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 67% | 0.673 | 73% | 0.731 | S | S | * | * | 94.6 | 142.6 | 89.5 | 147.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 3902 | D | 28.3 | Very low | 28.6 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | cis | -163.5 | 161.1 | 14.3 | -107.3 | -13.1 | 0 | 0 | 0 | 111 | ||||
| 3903 | T | 25.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | -65.9 | 131.2 | 154.4 | 43.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3904 | S | 28 | Very low | 28.5 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | 174.8 | 124.4 | 147.4 | 41.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3905 | L | 25.1 | Very low | 28.6 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | 65.6 | 137.2 | 98 | -128.3 | 85.9 | 0 | 0 | 0 | 114.8 | |||||
| 3906 | D | 27 | Very low | 28.5 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | 91.2 | 102.8 | 157.8 | -59.8 | -20.7 | 0 | 0 | 0 | 120.2 | ||||
| 3907 | T | 25.4 | Very low | 28.5 | Very low | 109 Ų | 109 | 128 Ų | 128 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | 36.5 | 109.9 | 126.2 | 24.7 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 3908 | F | 29.6 | Very low | 28.5 | Very low | 199 Ų | 199 | 127.4 Ų | 127.4 | 87% | 0.873 | 76% | 0.757 | S | S | * | * | trans | -131.7 | 100 | 139.1 | -105.1 | -86.1 | 0 | 0 | 0 | 110.9 | ||||
| 3909 | N | 26.7 | Very low | 28.5 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | trans | -55.5 | 127.4 | 153.1 | -79.9 | -41.5 | 0 | 0 | 0 | 109.4 | ||||
| 3910 | H | 33.7 | Very low | 28.3 | Very low | 185 Ų | 185 | 128.4 Ų | 128.4 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -110.1 | 95.4 | 140.2 | -96 | -68.3 | 0 | 0 | 0 | 108.3 | ||||
| 3911 | T | 26.8 | Very low | 28.3 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | trans | -64.1 | 161.8 | 167.1 | 30.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3912 | C | 26.7 | Very low | 28.4 | Very low | 120 Ų | 120 | 128 Ų | 128 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 105.7 | 114.7 | 166.1 | -64 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 3913 | I | 29.8 | Very low | 28.3 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | cis | -146.9 | 132.2 | 29.8 | -66.6 | 175.3 | 0 | 0 | 0 | 110.3 | ||||
| 3914 | T | 26.8 | Very low | 28.4 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -77.8 | 134.1 | 172.7 | 46.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3915 | A | 30.6 | Very low | 28.2 | Very low | 108 Ų | 108 | 132 Ų | 132 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | 176.5 | 128.9 | 140.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3916 | G | 28.4 | Very low | 28.4 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | cis | -169.8 | 161.3 | -1.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 3917 | P | 29.7 | Very low | 28.3 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -100.9 | -161.9 | -171.1 | 41.6 | -33.7 | 0 | 0 | 0 | 112.1 | ||||
| 3918 | P | 32 | Very low | 28.6 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | -95.4 | 159.3 | -104.3 | 34.5 | -17.4 | 0 | 0 | 0 | 114.1 | |||||
| 3919 | A | 30.7 | Very low | 28.5 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -126.6 | 94.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3920 | T | 25.9 | Very low | 28.5 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | -41.3 | 126.7 | 150 | -12 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3921 | T | 30.7 | Very low | 28.4 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -165.3 | 113.1 | 142.6 | 2.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 3922 | T | 29.6 | Very low | 28.4 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 76.9 | 97.3 | 134.3 | -17.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 3923 | Y | 24.3 | Very low | 28.6 | Very low | 206 Ų | 206 | 126 Ų | 126 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | 6.7 | 130.3 | 121.6 | -72.7 | -92.7 | 0 | 0 | 0 | 117.4 | |||||
| 3924 | T | 28.4 | Very low | 28.6 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | -161 | 115.8 | 110.7 | -3.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 3925 | T | 25 | Very low | 28.8 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | -52.4 | 130.9 | 157.4 | -19.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3926 | I | 28.9 | Very low | 28.7 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -140.1 | 99.8 | 148.3 | -59.2 | -176 | 0 | 0 | 0 | 108.8 | ||||
| 3927 | T | 25.4 | Very low | 28.8 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -59 | 137.9 | 149.9 | 35.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3928 | T | 30.4 | Very low | 28.8 | Very low | 128 Ų | 128 | 130 Ų | 130 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 174.2 | 109.2 | 140.1 | 34.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3929 | A | 28.9 | Very low | 28.7 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | 66.9 | 108.2 | 77.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 3930 | N | 26.8 | Very low | 28.6 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | 64.2 | 139.8 | 143.7 | -71.4 | -8.9 | 0 | 0 | 0 | 123.4 | ||||
| 3931 | S | 29.8 | Very low | 28.9 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 96.6 | 99.9 | 149.9 | 124.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 3932 | S | 27.3 | Very low | 28.9 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | 46.8 | 134.8 | 121.9 | 57.6 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 3933 | N | 30.8 | Very low | 29.1 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | 93.5 | 109.6 | 147.7 | -73.1 | -9.9 | 0 | 0 | 0 | 119.5 | ||||
| 3934 | N | 30 | Very low | 29.6 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | 73.9 | 127.8 | 128.6 | -80.6 | -8 | 0 | 0 | 0 | 120.9 | |||||
| 3935 | N | 32.3 | Very low | 29.9 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 83.8 | 106.2 | 143.3 | -62.4 | -16.6 | 0 | 0 | 0 | 118.3 | ||||
| 3936 | N | 28.3 | Very low | 30.3 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | 45 | 137.7 | 128.6 | -77.7 | -12.2 | 0 | 0 | 0 | 120.5 | |||||
| 3937 | S | 29.8 | Very low | 30.6 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 85.7 | 94.6 | 162.9 | 73.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3938 | N | 30.3 | Very low | 31.1 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | -178.3 | 131 | 108.6 | -95.9 | -31.7 | 0 | 0 | 0 | 112.4 | |||||
| 3939 | V | 28.9 | Very low | 31.3 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | -78.3 | 154.5 | 173.6 | 171.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3940 | N | 29.5 | Very low | 31.6 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | 90 | 91 | 171.5 | -57.1 | -40.4 | 0 | 0 | 0 | 116.8 | ||||
| 3941 | N | 32.1 | Very low | 32.1 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -165.8 | 4.4 | 142.1 | -97.5 | -14.2 | 0 | 0 | 0 | 116.1 | ||
| 3942 | S | 30.8 | Very low | 32.3 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -98 | 7 | -179.1 | 44.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 3943 | R | 32.9 | Very low | 32.8 | Very low | 208 Ų | 208 | 130.2 Ų | 130.2 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -90.6 | -1.5 | 178.6 | -100.5 | -178 | 178.6 | 172 | 1.1 | 115.6 | ||
| 3944 | Q | 34.7 | Very low | 33.2 | Very low | 158 Ų | 158 | 127 Ų | 127 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -91.3 | -9.6 | -177.3 | -97.6 | 177 | -19.7 | 0 | 0 | 115.3 | ||
| 3945 | I | 35.8 | Very low | 33.5 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 67% | 0.672 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -94.1 | -24.2 | -177.1 | -60.6 | 175.9 | 0 | 0 | 0 | 112.2 | G3947 | I3945-G3947 VanDerWaalsContact C-N 3.29Å; I3945-G3947 PolarHBondContact O-N 3.37Å |
| 3946 | Y | 33.8 | Very low | 33.8 | Very low | 193 Ų | 193 | 125.3 Ų | 125.3 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -10.9 | 174.3 | -102.9 | -90.4 | 0 | 0 | 0 | 114.3 | ||
| 3947 | G | 35.2 | Very low | 34.4 | Very low | 55 Ų | 55 | 125 Ų | 125 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -15.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I3945 | I3945-G3947 VanDerWaalsContact C-N 3.29Å; I3945-G3947 PolarHBondContact O-N 3.37Å |
| 3948 | Q | 34.6 | Very low | 35 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 73% | 0.729 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -94.9 | -14.3 | -176.6 | -73.3 | -175.9 | -19.6 | 0 | 0 | 113.9 | ||
| 3949 | L | 34.2 | Very low | 35.7 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -83.9 | -13.4 | 172.6 | -81.6 | 156.6 | 0 | 0 | 0 | 113.4 | S3951 C3952 | L3949-S3951 PolarHBondContact O-N 2.91Å; L3949-C3952 PolarHBondContact O-N 2.92Å |
| 3950 | L | 37.2 | Very low | 36.6 | Very low | 144 Ų | 144 | 120.4 Ų | 120.4 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -75.1 | -5.6 | 173.8 | -96.1 | 114.1 | 0 | 0 | 0 | 114.2 | ||
| 3951 | S | 35.5 | Very low | 37.3 | Very low | 78 Ų | 78 | 117.4 Ų | 117.4 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -83 | -10 | 173.5 | 79.7 | 0 | 0 | 0 | 0 | 113.8 | L3949 | L3949-S3951 PolarHBondContact O-N 2.91Š|
| 3952 | C | 35.5 | Very low | 37.7 | Very low | 79 Ų | 79 | 115.8 Ų | 115.8 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -78.6 | -19.7 | 174.3 | -78.6 | 0 | 0 | 0 | 0 | 113.4 | L3949 L3955 M3956 | L3949-C3952 PolarHBondContact O-N 2.92Å; C3952-L3955 PolarHBondContact O-N 3.49Å; C3952-M3956 PolarHBondContact O-N 3.17Å |
| 3953 | G | 37.6 | Very low | 38.2 | Very low | 47 Ų | 47 | 116.9 Ų | 116.9 | 49% | 0.485 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68 | -33.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L3955 M3956 E3957 | G3953-L3955 VanDerWaalsContact C-N 3.33Å; G3953-M3956 PolarHBondContact O-N 3.44Å; G3953-E3957 PolarHBondContact O-N 3.25Å |
| 3954 | S | 38.6 | Very low | 38.6 | Very low | 76 Ų | 76 | 112.3 Ų | 112.3 | 53% | 0.531 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.4 | -30.7 | 176.5 | -171.8 | 0 | 0 | 0 | 0 | 112.7 | E3958 | S3954-E3958 PolarHBondContact O-N 3.25Å |
| 3955 | L | 37.2 | Very low | 38.8 | Very low | 98 Ų | 98 | 111.4 Ų | 111.4 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.9 | -32.7 | 177.5 | -98.3 | 139.4 | 0 | 0 | 0 | 112.2 | C3952 G3953 I3959 | C3952-L3955 PolarHBondContact O-N 3.49Å; G3953-L3955 VanDerWaalsContact C-N 3.33Å; L3955-I3959 WeakPolarHBondContact O-CB 3.46Å; L3955-I3959 WeakPolarHBondContact O-CD1 3.31Å; L3955-I3959 WeakPolarHBondContact O-CG1 3.34Å; L3955-I3959 PolarHBondContact O-N 2.92Å |
| 3956 | M | 37.6 | Very low | 38.9 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 66% | 0.655 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.2 | -34.9 | 175.1 | -86 | -97.3 | -88.8 | 0 | 0 | 112.6 | C3952 G3953 V3960 | C3952-M3956 PolarHBondContact O-N 3.17Å; G3953-M3956 PolarHBondContact O-N 3.44Å; M3956-V3960 WeakPolarHBondContact O-CB 3.38Å; M3956-V3960 VanDerWaalsContact O-CG2 3.25Å; M3956-V3960 WeakPolarHBondContact O-CG2 3.37Å; M3956-V3960 PolarHBondContact O-N 2.86Å |
| 3957 | E | 41.8 | Very low | 39.3 | Very low | 147 Ų | 147 | 109.7 Ų | 109.7 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -42.1 | 170.6 | -88.1 | -175.4 | 157 | 0 | 0 | 111.6 | G3953 I3959 V3960 T3961 | G3953-E3957 PolarHBondContact O-N 3.25Å; E3957-I3959 PolarHBondContact O-N 2.98Å; E3957-V3960 PolarHBondContact O-N 3.44Å; E3957-T3961 WeakPolarHBondContact O-CB 3.46Å; E3957-T3961 PolarHBondContact O-N 3.45Å; E3957-T3961 PolarHBondContact O-OG1 2.94Å |
| 3958 | E | 41.9 | Very low | 39.5 | Very low | 122 Ų | 122 | 114 Ų | 114 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.4 | -40.6 | 175.4 | -101.8 | 178.3 | 160.4 | 0 | 0 | 112.9 | S3954 T3961 Q3962 | S3954-E3958 PolarHBondContact O-N 3.25Å; E3958-T3961 PolarHBondContact O-N 3.18Å; E3958-Q3962 WeakPolarHBondContact O-CB 3.35Å; E3958-Q3962 PolarHBondContact O-N 3.41Å |
| 3959 | I | 44 | Very low | 39.6 | Very low | 94 Ų | 94 | 110.7 Ų | 110.7 | 48% | 0.482 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.5 | -38.9 | 178.7 | -68.2 | 165.5 | 0 | 0 | 0 | 111.6 | L3955 E3957 T3961 K3963 | L3955-I3959 WeakPolarHBondContact O-CB 3.46Å; L3955-I3959 WeakPolarHBondContact O-CD1 3.31Å; L3955-I3959 WeakPolarHBondContact O-CG1 3.34Å; L3955-I3959 PolarHBondContact O-N 2.92Å; E3957-I3959 PolarHBondContact O-N 2.98Å; I3959-T3961 VanDerWaalsContact C-N 3.33Å; I3959-K3963 WeakPolarHBondContact O-CB 3.17Å; I3959-K3963 PolarHBondContact O-N 3.46Å |
| 3960 | V | 47.5 | Very low | 39.6 | Very low | 78 Ų | 78 | 112.9 Ų | 112.9 | 47% | 0.473 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.5 | -33.7 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | M3956 E3957 Q3964 | M3956-V3960 WeakPolarHBondContact O-CB 3.38Å; M3956-V3960 VanDerWaalsContact O-CG2 3.25Å; M3956-V3960 WeakPolarHBondContact O-CG2 3.37Å; M3956-V3960 PolarHBondContact O-N 2.86Å; E3957-V3960 PolarHBondContact O-N 3.44Å; V3960-Q3964 WeakPolarHBondContact O-CB 3.46Å; V3960-Q3964 WeakPolarHBondContact O-CG 3.41Å; V3960-Q3964 PolarHBondContact O-N 3.19Å; V3960-Q3964 VanDerWaalsContact O-N 3.16Å |
| 3961 | T | 45 | Very low | 39.4 | Very low | 76 Ų | 76 | 113.1 Ų | 113.1 | 47% | 0.466 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -75.3 | -35.3 | 177.5 | -38.8 | 0 | 0 | 0 | 0 | 112.1 | E3957 E3958 I3959 Q3965 | E3957-T3961 WeakPolarHBondContact O-CB 3.46Å; E3957-T3961 PolarHBondContact O-N 3.45Å; E3957-T3961 PolarHBondContact O-OG1 2.94Å; E3958-T3961 PolarHBondContact O-N 3.18Å; I3959-T3961 VanDerWaalsContact C-N 3.33Å; T3961-Q3965 PolarHBondContact O-N 3.47Å; T3961-Q3965 VanDerWaalsContact O-N 3.16Å |
| 3962 | Q | 40.6 | Very low | 39.3 | Very low | 117 Ų | 117 | 115.1 Ų | 115.1 | 55% | 0.547 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.4 | -41.7 | 173.9 | -80.5 | -178.7 | -14.9 | 0 | 0 | 112.3 | E3958 Q3964 Q3965 E3966 | E3958-Q3962 WeakPolarHBondContact O-CB 3.35Å; E3958-Q3962 PolarHBondContact O-N 3.41Å; Q3962-Q3964 VanDerWaalsContact C-N 3.3Å; Q3962-Q3964 PolarHBondContact O-N 3.39Å; Q3962-Q3965 PolarHBondContact O-N 2.87Å; Q3962-Q3965 VanDerWaalsContact O-N 3.09Å; Q3962-E3966 PolarHBondContact O-N 3.19Å |
| 3963 | K | 41.3 | Very low | 39.2 | Very low | 136 Ų | 136 | 116.6 Ų | 116.6 | 59% | 0.591 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.4 | -34.6 | 174.4 | -120.4 | -176.4 | 177.1 | -172.7 | 0 | 112.7 | I3959 E3967 | I3959-K3963 WeakPolarHBondContact O-CB 3.17Å; I3959-K3963 PolarHBondContact O-N 3.46Å; K3963-E3967 WeakPolarHBondContact O-CG 3.41Å; K3963-E3967 PolarHBondContact O-N 3.27Å |
| 3964 | Q | 40.4 | Very low | 39 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 52% | 0.519 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -74.5 | -19.1 | 173.8 | -81.4 | 176.1 | -6.9 | 0 | 0 | 114.2 | V3960 Q3962 N3968 | V3960-Q3964 WeakPolarHBondContact O-CB 3.46Å; V3960-Q3964 WeakPolarHBondContact O-CG 3.41Å; V3960-Q3964 PolarHBondContact O-N 3.19Å; V3960-Q3964 VanDerWaalsContact O-N 3.16Å; Q3962-Q3964 VanDerWaalsContact C-N 3.3Å; Q3962-Q3964 PolarHBondContact O-N 3.39Å; Q3964-N3968 PolarHBondContact O-ND2 2.96Å |
| 3965 | Q | 39.1 | Very low | 38.8 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 65% | 0.654 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -84.6 | -34.2 | 172.7 | -78.8 | -178.2 | -13.5 | 0 | 0 | 112.1 | T3961 Q3962 N3968 | T3961-Q3965 PolarHBondContact O-N 3.47Å; T3961-Q3965 VanDerWaalsContact O-N 3.16Å; Q3962-Q3965 PolarHBondContact O-N 2.87Å; Q3962-Q3965 VanDerWaalsContact O-N 3.09Å; Q3965-N3968 PolarHBondContact O-N 3.22Å |
| 3966 | E | 39 | Very low | 38.7 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 65% | 0.654 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.5 | -33.1 | 177.7 | -70.5 | -179.8 | 163.1 | 0 | 0 | 112.9 | Q3962 N3968 S3969 | Q3962-E3966 PolarHBondContact O-N 3.19Å; E3966-N3968 PolarHBondContact O-N 2.95Å; E3966-S3969 PolarHBondContact O-OG 2.83Å |
| 3967 | E | 40.7 | Very low | 38.6 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -12.5 | 174.7 | -76.3 | 178.2 | 176.2 | 0 | 0 | 114 | K3963 | K3963-E3967 WeakPolarHBondContact O-CG 3.41Å; K3963-E3967 PolarHBondContact O-N 3.27Å |
| 3968 | N | 40.8 | Very low | 38.2 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 1.7 | -179.5 | -80 | -46.8 | 0 | 0 | 0 | 114.5 | Q3964 Q3965 E3966 | Q3964-N3968 PolarHBondContact O-ND2 2.96Å; Q3965-N3968 PolarHBondContact O-N 3.22Å; E3966-N3968 PolarHBondContact O-N 2.95Å |
| 3969 | S | 35.8 | Very low | 37.7 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -104.9 | 1.2 | -178.6 | 47.4 | 0 | 0 | 0 | 0 | 116.2 | E3966 | E3966-S3969 PolarHBondContact O-OG 2.83Š|
| 3970 | F | 33.8 | Very low | 37.3 | Very low | 175 Ų | 175 | 132 Ų | 132 | 77% | 0.768 | 69% | 0.689 | S | S | * | * | trans | -120.6 | 101 | 175.2 | -88 | -90.8 | 0 | 0 | 0 | 110.4 | ||||
| 3971 | T | 34.5 | Very low | 36.6 | Very low | 150 Ų | 150 | 135 Ų | 135 | 92% | 0.92 | 70% | 0.703 | S | S | * | * | trans | 159.6 | 96.2 | 142.6 | 41.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3972 | S | 32.2 | Very low | 36.1 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | trans | -112.5 | 124.6 | 153.1 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3973 | P | 33.8 | Very low | 35.7 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | trans | -91.9 | 145.1 | -172.7 | 35.2 | -31.2 | 0 | 0 | 0 | 110.9 | ||||
| 3974 | N | 34.6 | Very low | 35.4 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -158.3 | 126.2 | 152.3 | -98.9 | -25.4 | 0 | 0 | 0 | 112.4 | ||||
| 3975 | N | 33.5 | Very low | 35.1 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | 82.3 | 99.2 | 146.9 | -65.2 | -21.5 | 0 | 0 | 0 | 121 | ||||
| 3976 | H | 35.5 | Very low | 34.9 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 67.8 | 122.6 | 117.1 | -82.6 | -57.9 | 0 | 0 | 0 | 120.7 | |||||
| 3977 | K | 34.8 | Very low | 34.7 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | 67.8 | 101.2 | 139.1 | -71.9 | -178.7 | 177 | -178 | 0 | 116 | ||||
| 3978 | L | 32.6 | Very low | 34.3 | Very low | 172 Ų | 172 | 148.7 Ų | 148.7 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | -172 | 151.7 | 92.5 | -130.4 | 79.5 | 0 | 0 | 0 | 110.1 | |||||
| 3979 | N | 32.7 | Very low | 33.9 | Very low | 134 Ų | 134 | 148.9 Ų | 148.9 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -74.6 | 163 | -175.2 | -122.8 | 30.4 | 0 | 0 | 0 | 112.8 | ||||
| 3980 | D | 35.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 66% | 0.658 | 80% | 0.802 | S | S | * | * | trans | 86.2 | 131.8 | 146.6 | -55.8 | -24.1 | 0 | 0 | 0 | 119.8 | ||||
| 3981 | N | 33.5 | Very low | 33.7 | Very low | 143 Ų | 143 | 151.7 Ų | 151.7 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | 90.8 | 92.7 | 154 | -58.7 | -25.7 | 0 | 0 | 0 | 117.6 | ||||
| 3982 | I | 33.3 | Very low | 33.7 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | 154 | 127.1 | 102.4 | -80.2 | 146.4 | 0 | 0 | 0 | 109.7 | |||||
| 3983 | E | 32.5 | Very low | 33.8 | Very low | 261 Ų | 261 | 154.7 Ų | 154.7 | 100% | 1.22 | 79% | 0.792 | S | S | * | * | trans | 29.8 | 0 | 155.3 | -67.9 | 176 | 151.1 | 0 | 0 | 120.6 |
Retrieved 3,983 of 3,983 residues in 854.9 ms
(Link to these results)