| 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 | 72 | Confident | 90 | Very high | 145 Ų | 145 | 70.5 Ų | 70.5 | 71% | 0.714 | 32% | 0.323 | S | S | * | . | 0 | -54.7 | 0 | -99.7 | -61.2 | -179.8 | 0 | 0 | 114.3 | E3 R5 | M1-E3 PolarHBondContact O-N 3.07Å; M1-R5 PolarHBondContact O-N 3.07Å; M1-R5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | S | 83.6 | Confident | 90 | Very high | 69 Ų | 69 | 74.6 Ų | 74.6 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -48.3 | 177.9 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | R5 K6 | S2-R5 CarbonylContact O-C 3.58Å; S2-R5 WeakPolarHBondContact O-CA 3.46Å; S2-R5 WeakPolarHBondContact O-CB 3.17Å; S2-R5 PolarHBondContact O-N 3.24Å; S2-R5 VanDerWaalsContact O-N 3.14Å; S2-K6 PolarHBondContact O-N 3.05Å |
| 3 | E | 89.1 | Confident | 90.3 | Very high | 98 Ų | 98 | 79.1 Ų | 79.1 | 46% | 0.458 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -37.2 | -176.5 | -54.1 | -35 | 107.6 | 0 | 0 | 112.2 | M1 R5 K6 I7 | M1-E3 PolarHBondContact O-N 3.07Å; E3-R5 VanDerWaalsContact C-N 3.27Å; E3-R5 PolarHBondContact O-N 3.06Å; E3-K6 CarbonylContact O-C 3.31Å; E3-K6 VanDerWaalsContact O-CA 3.31Å; E3-K6 WeakPolarHBondContact O-CA 3.35Å; E3-K6 VanDerWaalsContact O-CB 3.23Å; E3-K6 WeakPolarHBondContact O-CB 3.44Å; E3-K6 PolarHBondContact O-N 3.19Å; E3-K6 WeakPolarHBondContact OE2-CD 3.24Å; E3-I7 WeakPolarHBondContact O-CG1 3.32Å; E3-I7 PolarHBondContact O-N 3.02Å |
| 4 | V | 90.6 | Very high | 90.6 | Very high | 18 Ų | 18 | 73.4 Ų | 73.4 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.1 | -46 | 168.1 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | K6 I7 I8 L121 | V4-K6 PolarHBondContact O-N 3.25Å; V4-I7 PolarHBondContact O-N 2.98Å; V4-I8 HydrophobicContact CG1-CD1 3.63Å; V4-I8 HydrophobicContact CG1-CG1 4.45Å; V4-I8 WeakPolarHBondContact O-CB 3.37Å; V4-I8 VanDerWaalsContact O-CG1 3.24Å; V4-I8 WeakPolarHBondContact O-CG1 3.35Å; V4-I8 PolarHBondContact O-N 2.94Å; V4-L121 HydrophobicContact CG1-CB 4.47Å; V4-L121 WeakPolarHBondContact CG1-O 3.27Å |
| 5 | R | 90.2 | Very high | 90.5 | Very high | 151 Ų | 151 | 69 Ų | 69 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -70.4 | -13.6 | 174.3 | -65.6 | -171.2 | -62.5 | -109.2 | 7.5 | 114 | M1 S2 E3 R9 | M1-R5 PolarHBondContact O-N 3.07Å; M1-R5 VanDerWaalsContact O-N 3.14Å; S2-R5 CarbonylContact O-C 3.58Å; S2-R5 WeakPolarHBondContact O-CA 3.46Å; S2-R5 WeakPolarHBondContact O-CB 3.17Å; S2-R5 PolarHBondContact O-N 3.24Å; S2-R5 VanDerWaalsContact O-N 3.14Å; E3-R5 VanDerWaalsContact C-N 3.27Å; E3-R5 PolarHBondContact O-N 3.06Å; R5-R9 WeakPolarHBondContact O-CG 3.43Å; R5-R9 PolarHBondContact O-NE 2.99Å |
| 6 | K | 94.1 | Very high | 90.4 | Very high | 66 Ų | 66 | 69.7 Ų | 69.7 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -80.4 | -54.4 | 168.7 | -177.8 | -166 | 168.7 | -139.2 | 0 | 109.8 | S2 E3 V4 I8 R9 H10 E47 | S2-K6 PolarHBondContact O-N 3.05Å; E3-K6 CarbonylContact O-C 3.31Å; E3-K6 VanDerWaalsContact O-CA 3.31Å; E3-K6 WeakPolarHBondContact O-CA 3.35Å; E3-K6 VanDerWaalsContact O-CB 3.23Å; E3-K6 WeakPolarHBondContact O-CB 3.44Å; E3-K6 PolarHBondContact O-N 3.19Å; E3-K6 WeakPolarHBondContact OE2-CD 3.24Å; V4-K6 PolarHBondContact O-N 3.25Å; K6-I8 VanDerWaalsContact C-N 3.34Å; K6-I8 PolarHBondContact O-N 3.12Å; K6-R9 VanDerWaalsContact CA-NH2 3.3Å; K6-R9 WeakPolarHBondContact O-CA 3.29Å; K6-R9 WeakPolarHBondContact O-CB 3.34Å; K6-R9 PolarHBondContact O-N 2.56Å; K6-H10 PolarHBondContact O-CD2 3.26Å; K6-H10 PolarHBondContact O-N 3.46Å; K6-E47 VanDerWaalsContact CE-OE2 3.25Å; K6-E47 WeakPolarHBondContact CE-OE2 3.4Å; K6-E47 IonicContact NZ-OE1 3.75Å; K6-E47 PolarHBondContact NZ-OE1 3.38Å; K6-E47 IonicContact NZ-OE2 3.29Å; K6-E47 PolarHBondContact NZ-OE2 3.17Å |
| 7 | I | 95.2 | Very high | 90.5 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | -178.7 | -53.2 | 159 | 0 | 0 | 0 | 110.7 | E3 V4 R9 H10 C11 E47 V48 R51 L121 | E3-I7 WeakPolarHBondContact O-CG1 3.32Å; E3-I7 PolarHBondContact O-N 3.02Å; V4-I7 PolarHBondContact O-N 2.98Å; I7-R9 PolarHBondContact O-N 3.21Å; I7-R9 VanDerWaalsContact O-N 3.17Å; I7-H10 WeakPolarHBondContact O-CA 3.32Å; I7-H10 WeakPolarHBondContact O-CB 3.18Å; I7-H10 PolarHBondContact O-N 3.26Å; I7-C11 PolarHBondContact O-N 3.27Å; I7-C11 PolarHBondContact O-SG 3.45Å; I7-C11 VanDerWaalsContact O-SG 3.36Å; I7-E47 HydrophobicContact CG1-CB 4.3Å; I7-E47 HydrophobicContact CG2-CB 4.27Å; I7-V48 HydrophobicContact CG2-CG2 3.57Å; I7-R51 HydrophobicContact CD1-CB 3.62Å; I7-R51 HydrophobicContact CD1-CG 3.65Å; I7-L121 HydrophobicContact CB-CD1 4.06Å; I7-L121 HydrophobicContact CB-CD2 4.4Å; I7-L121 HydrophobicContact CD1-CD2 4.02Å; I7-L121 HydrophobicContact CG2-CD1 3.48Å; I7-L121 VanDerWaalsContact CG2-CD1 3.48Å; I7-L121 HydrophobicContact CG2-CD2 4.01Å; I7-L121 HydrophobicContact CG2-CG 4.41Å |
| 8 | I | 91.7 | Very high | 90.6 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -28.3 | 175.6 | -67.9 | 169.4 | 0 | 0 | 0 | 112.6 | V4 K6 C11 R12 I118 L121 Q122 | V4-I8 HydrophobicContact CG1-CD1 3.63Å; V4-I8 HydrophobicContact CG1-CG1 4.45Å; V4-I8 WeakPolarHBondContact O-CB 3.37Å; V4-I8 VanDerWaalsContact O-CG1 3.24Å; V4-I8 WeakPolarHBondContact O-CG1 3.35Å; V4-I8 PolarHBondContact O-N 2.94Å; K6-I8 VanDerWaalsContact C-N 3.34Å; K6-I8 PolarHBondContact O-N 3.12Å; I8-C11 PolarHBondContact O-N 2.69Å; I8-R12 HydrophobicContact CG2-CG 4.33Å; I8-R12 WeakPolarHBondContact O-CB 3.37Å; I8-R12 WeakPolarHBondContact O-CG 3.45Å; I8-R12 PolarHBondContact O-N 3.13Å; I8-I118 HydrophobicContact CG1-CG2 4.41Å; I8-I118 HydrophobicContact CG2-CG2 4.4Å; I8-L121 HydrophobicContact CD1-CB 4.5Å; I8-L121 HydrophobicContact CG1-CB 4.32Å; I8-L121 HydrophobicContact CG1-CD1 4.12Å; I8-Q122 HydrophobicContact CD1-CG 3.62Å |
| 9 | R | 93.6 | Very high | 90.3 | Very high | 162 Ų | 162 | 60.3 Ų | 60.3 | 61% | 0.611 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.2 | -33.8 | 172.4 | -78.1 | 176.1 | -77.5 | 145.9 | -5.8 | 112.2 | R5 K6 I7 R13 | R5-R9 WeakPolarHBondContact O-CG 3.43Å; R5-R9 PolarHBondContact O-NE 2.99Å; K6-R9 VanDerWaalsContact CA-NH2 3.3Å; K6-R9 WeakPolarHBondContact O-CA 3.29Å; K6-R9 WeakPolarHBondContact O-CB 3.34Å; K6-R9 PolarHBondContact O-N 2.56Å; I7-R9 PolarHBondContact O-N 3.21Å; I7-R9 VanDerWaalsContact O-N 3.17Å; R9-R13 WeakPolarHBondContact O-CB 3.29Å; R9-R13 PolarHBondContact O-N 3.11Å |
| 10 | H | 95.3 | Very high | 90.3 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 170.7 | -69.3 | -98.3 | 0 | 0 | 0 | 110.6 | K6 I7 R12 R13 V14 M44 | K6-H10 PolarHBondContact O-CD2 3.26Å; K6-H10 PolarHBondContact O-N 3.46Å; I7-H10 WeakPolarHBondContact O-CA 3.32Å; I7-H10 WeakPolarHBondContact O-CB 3.18Å; I7-H10 PolarHBondContact O-N 3.26Å; H10-R12 PolarHBondContact O-N 2.99Å; H10-R13 WeakPolarHBondContact O-CB 3.02Å; H10-R13 PolarHBondContact O-N 3.08Å; H10-R13 VanDerWaalsContact O-N 3.15Å; H10-V14 PolarHBondContact O-N 2.96Å; H10-V14 VanDerWaalsContact O-N 3.1Å; H10-M44 HydrophobicContact CB-CB 4.22Å |
| 11 | C | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 176 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | I7 I8 R13 V14 L15 M44 I114 I118 | I7-C11 PolarHBondContact O-N 3.27Å; I7-C11 PolarHBondContact O-SG 3.45Å; I7-C11 VanDerWaalsContact O-SG 3.36Å; I8-C11 PolarHBondContact O-N 2.69Å; C11-R13 VanDerWaalsContact C-N 3.3Å; C11-R13 PolarHBondContact O-N 3.19Å; C11-V14 PolarHBondContact O-N 2.97Å; C11-V14 VanDerWaalsContact O-N 3.15Å; C11-L15 PolarHBondContact O-N 2.9Å; C11-M44 HydrophobicContact CB-CG 4.48Å; C11-M44 HydrophobicContact CB-SD 4.19Å; C11-I114 HydrophobicContact CB-CG2 3.87Å; C11-I118 HydrophobicContact CB-CD1 3.67Å; C11-I118 HydrophobicContact CB-CG1 3.49Å; C11-I118 VanDerWaalsContact CB-CG1 3.49Å |
| 12 | R | 90.2 | Very high | 90.8 | Very high | 119 Ų | 119 | 52.3 Ų | 52.3 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.8 | -31.5 | 176.6 | -72.1 | 178.1 | -179.3 | -173.8 | -1.1 | 113.1 | I8 H10 L15 S16 I118 | I8-R12 HydrophobicContact CG2-CG 4.33Å; I8-R12 WeakPolarHBondContact O-CB 3.37Å; I8-R12 WeakPolarHBondContact O-CG 3.45Å; I8-R12 PolarHBondContact O-N 3.13Å; H10-R12 PolarHBondContact O-N 2.99Å; R12-L15 PolarHBondContact O-N 2.74Å; R12-S16 WeakPolarHBondContact O-CB 3.41Å; R12-S16 PolarHBondContact O-N 2.98Å; R12-I118 HydrophobicContact CG-CD1 4.37Å |
| 13 | R | 93.2 | Very high | 90.8 | Very high | 133 Ų | 133 | 54.5 Ų | 54.5 | 50% | 0.502 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 172.9 | -171.9 | -178.3 | -177.2 | -159.7 | -0.8 | 111.6 | R9 H10 C11 S16 V17 C40 D43 | R9-R13 WeakPolarHBondContact O-CB 3.29Å; R9-R13 PolarHBondContact O-N 3.11Å; H10-R13 WeakPolarHBondContact O-CB 3.02Å; H10-R13 PolarHBondContact O-N 3.08Å; H10-R13 VanDerWaalsContact O-N 3.15Å; C11-R13 VanDerWaalsContact C-N 3.3Å; C11-R13 PolarHBondContact O-N 3.19Å; R13-S16 PolarHBondContact O-N 2.75Å; R13-V17 WeakPolarHBondContact O-CG2 3.39Å; R13-V17 PolarHBondContact O-N 3.21Å; R13-V17 VanDerWaalsContact O-N 3.07Å; R13-C40 VanDerWaalsContact CZ-SG 3.53Å; R13-D43 IonicContact NH1-OD2 3.7Å |
| 14 | V | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | H10 C11 S16 V17 L18 L37 C40 M41 M44 I114 | H10-V14 PolarHBondContact O-N 2.96Å; H10-V14 VanDerWaalsContact O-N 3.1Å; C11-V14 PolarHBondContact O-N 2.97Å; C11-V14 VanDerWaalsContact O-N 3.15Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.31Å; V14-V17 PolarHBondContact O-N 3.36Å; V14-V17 VanDerWaalsContact O-N 3.12Å; V14-L18 HydrophobicContact CG1-CD1 4.07Å; V14-L18 HydrophobicContact CG1-CG 4.35Å; V14-L18 WeakPolarHBondContact O-CG 3.36Å; V14-L18 PolarHBondContact O-N 2.7Å; V14-L37 HydrophobicContact CG1-CD1 4.03Å; V14-C40 HydrophobicContact CG2-CB 4.11Å; V14-C40 WeakPolarHBondContact CG2-O 2.96Å; V14-M41 HydrophobicContact CG1-CE 3.82Å; V14-M41 HydrophobicContact CG2-CB 4.44Å; V14-M44 HydrophobicContact CB-SD 4.05Å; V14-M44 HydrophobicContact CG2-CB 3.93Å; V14-M44 HydrophobicContact CG2-CG 4.39Å; V14-M44 HydrophobicContact CG2-SD 3.77Å; V14-I114 HydrophobicContact CB-CD1 4.23Å; V14-I114 HydrophobicContact CG1-CD1 3.57Å |
| 15 | L | 89.7 | Confident | 90.7 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.5 | -43.5 | 174.4 | -70.7 | 169.8 | 0 | 0 | 0 | 112.4 | C11 R12 V17 L18 A19 I114 I118 | C11-L15 PolarHBondContact O-N 2.9Å; R12-L15 PolarHBondContact O-N 2.74Å; L15-V17 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 2.78Å; L15-A19 PolarHBondContact O-N 3.49Å; L15-I114 HydrophobicContact CD1-CG2 4.03Å; L15-I114 HydrophobicContact CD2-CB 4.07Å; L15-I114 HydrophobicContact CD2-CD1 4.41Å; L15-I114 HydrophobicContact CD2-CG2 4.08Å; L15-I114 HydrophobicContact CG-CB 4.33Å; L15-I114 HydrophobicContact CG-CG2 3.78Å; L15-I118 HydrophobicContact CD1-CD1 3.86Å |
| 16 | S | 88.4 | Confident | 90.8 | Very high | 80 Ų | 80 | 48.1 Ų | 48.1 | 56% | 0.559 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.7 | -38.8 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 112.7 | R12 R13 V14 | R12-S16 WeakPolarHBondContact O-CB 3.41Å; R12-S16 PolarHBondContact O-N 2.98Å; R13-S16 PolarHBondContact O-N 2.75Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.31Å |
| 17 | V | 92.1 | Very high | 90.7 | Very high | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -44.6 | 173.7 | 176.4 | 0 | 0 | 0 | 0 | 111 | R13 V14 L15 A19 T20 F33 R36 L37 | R13-V17 WeakPolarHBondContact O-CG2 3.39Å; R13-V17 PolarHBondContact O-N 3.21Å; R13-V17 VanDerWaalsContact O-N 3.07Å; V14-V17 PolarHBondContact O-N 3.36Å; V14-V17 VanDerWaalsContact O-N 3.12Å; L15-V17 PolarHBondContact O-N 3.4Å; V17-A19 VanDerWaalsContact C-N 3.29Å; V17-A19 PolarHBondContact O-N 3.39Å; V17-T20 WeakPolarHBondContact O-CB 3.34Å; V17-T20 PolarHBondContact O-N 3.21Å; V17-T20 PolarHBondContact O-OG1 3.2Å; V17-F33 HydrophobicContact CG1-CE2 4.26Å; V17-F33 WeakPolarHBondContact O-CE2 3.33Å; V17-R36 HydrophobicContact CG1-CB 4.18Å; V17-L37 HydrophobicContact CB-CD1 4.31Å; V17-L37 HydrophobicContact CG1-CB 4.02Å; V17-L37 HydrophobicContact CG1-CD1 3.93Å |
| 18 | L | 92 | Very high | 90.6 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.2 | -38.6 | 177.6 | -71 | 170.1 | 0 | 0 | 0 | 112.3 | V14 L15 T20 A21 F33 L37 L78 L107 M110 I114 | V14-L18 HydrophobicContact CG1-CD1 4.07Å; V14-L18 HydrophobicContact CG1-CG 4.35Å; V14-L18 WeakPolarHBondContact O-CG 3.36Å; V14-L18 PolarHBondContact O-N 2.7Å; L15-L18 PolarHBondContact O-N 2.78Å; L18-T20 PolarHBondContact O-N 2.85Å; L18-A21 WeakPolarHBondContact O-CB 3.29Å; L18-A21 PolarHBondContact O-N 3.33Å; L18-F33 HydrophobicContact CD2-CZ 4.5Å; L18-L37 HydrophobicContact CD2-CD1 3.81Å; L18-L37 HydrophobicContact CD2-CD2 4.05Å; L18-L37 HydrophobicContact CG-CD1 4.03Å; L18-L78 HydrophobicContact CD2-CD2 3.8Å; L18-L107 HydrophobicContact CD2-CD2 4.16Å; L18-M110 HydrophobicContact CD1-CB 4.45Å; L18-M110 HydrophobicContact CD1-CG 3.6Å; L18-M110 HydrophobicContact CD2-CG 4.16Å; L18-I114 HydrophobicContact CD1-CD1 3.65Å |
| 19 | A | 85.7 | Confident | 90.7 | Very high | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -26.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L15 V17 A21 A165 | L15-A19 PolarHBondContact O-N 3.49Å; V17-A19 VanDerWaalsContact C-N 3.29Å; V17-A19 PolarHBondContact O-N 3.39Å; A19-A21 PolarHBondContact O-N 2.73Å; A19-A165 WeakPolarHBondContact O-CB 3.46Å |
| 20 | T | 89.2 | Confident | 90.7 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 29% | 0.288 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -73.6 | -7.6 | 174.4 | 71.2 | 0 | 0 | 0 | 0 | 114 | V17 L18 E22 H23 | V17-T20 WeakPolarHBondContact O-CB 3.34Å; V17-T20 PolarHBondContact O-N 3.21Å; V17-T20 PolarHBondContact O-OG1 3.2Å; L18-T20 PolarHBondContact O-N 2.85Å; T20-E22 PolarHBondContact O-N 2.88Å; T20-H23 PolarHBondContact O-N 3.39Å |
| 21 | A | 89.6 | Confident | 90.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -66.4 | -31 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | L18 A19 H23 V24 F33 L82 L107 | L18-A21 WeakPolarHBondContact O-CB 3.29Å; L18-A21 PolarHBondContact O-N 3.33Å; A19-A21 PolarHBondContact O-N 2.73Å; A21-H23 PolarHBondContact O-N 2.89Å; A21-V24 WeakPolarHBondContact O-CB 3.35Å; A21-V24 PolarHBondContact O-N 3.48Å; A21-V24 VanDerWaalsContact O-N 3.1Å; A21-F33 HydrophobicContact CB-CD2 4.47Å; A21-F33 HydrophobicContact CB-CE2 3.62Å; A21-F33 HydrophobicContact CB-CZ 3.72Å; A21-L82 HydrophobicContact CB-CD2 4.25Å; A21-L107 HydrophobicContact CB-CD1 3.7Å; A21-L107 HydrophobicContact CB-CD2 3.45Å; A21-L107 VanDerWaalsContact CB-CD2 3.45Å; A21-L107 HydrophobicContact CB-CG 4.22Å |
| 22 | E | 83.3 | Confident | 90.7 | Very high | 52 Ų | 52 | 50 Ų | 50 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -62.3 | -27.8 | 177.3 | -178.7 | 165.2 | -152.6 | 0 | 0 | 112.2 | T20 V24 A165 M166 | T20-E22 PolarHBondContact O-N 2.88Å; E22-V24 VanDerWaalsContact C-N 3.29Å; E22-V24 PolarHBondContact O-N 3.2Å; E22-A165 HydrophobicContact CB-CB 3.87Å; E22-A165 WeakPolarHBondContact OE2-CA 3.39Å; E22-A165 VanDerWaalsContact OE2-CB 3.3Å; E22-A165 WeakPolarHBondContact OE2-CB 3.24Å; E22-M166 PolarHBondContact OE2-N 2.73Å |
| 23 | H | 84.6 | Confident | 90.9 | Very high | 115 Ų | 115 | 44.3 Ų | 44.3 | 53% | 0.532 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -83.5 | 0.9 | 179.2 | -60.2 | 87.2 | 0 | 0 | 0 | 113.5 | T20 A21 S25 | T20-H23 PolarHBondContact O-N 3.39Å; A21-H23 PolarHBondContact O-N 2.89Å; H23-S25 PolarHBondContact O-N 2.69Å |
| 24 | V | 89.5 | Confident | 91 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | trans | -85.1 | 92.8 | -177.8 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | A21 E22 L30 F33 V86 | A21-V24 WeakPolarHBondContact O-CB 3.35Å; A21-V24 PolarHBondContact O-N 3.48Å; A21-V24 VanDerWaalsContact O-N 3.1Å; E22-V24 VanDerWaalsContact C-N 3.29Å; E22-V24 PolarHBondContact O-N 3.2Å; V24-L30 HydrophobicContact CG1-CB 3.68Å; V24-L30 HydrophobicContact CG1-CD1 4.17Å; V24-F33 HydrophobicContact CG2-CB 3.94Å; V24-F33 HydrophobicContact CG2-CD2 3.97Å; V24-F33 HydrophobicContact CG2-CG 4.03Å; V24-V86 HydrophobicContact CG1-CG2 4.1Å; V24-V86 VanDerWaalsContact O-CG2 3.3Å; V24-V86 WeakPolarHBondContact O-CG2 3.45Å | ||
| 25 | S | 87.9 | Confident | 91.1 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 57% | 0.573 | 27% | 0.272 | S | S | * | . | trans | -104.5 | 1.9 | -175.5 | 58.5 | 0 | 0 | 0 | 0 | 115.4 | H23 | H23-S25 PolarHBondContact O-N 2.69Š| ||
| 26 | S | 92.9 | Very high | 91.3 | Very high | 40 Ų | 40 | 51.2 Ų | 51.2 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -147.5 | 154.5 | -178.6 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | T28 G29 L30 V86 | S26-T28 VanDerWaalsContact C-N 3.28Å; S26-T28 PolarHBondContact O-N 2.82Å; S26-G29 PolarHBondContact O-N 3.22Å; S26-G29 VanDerWaalsContact O-N 3.1Å; S26-G29 PolarHBondContact OG-N 3.17Å; S26-L30 PolarHBondContact O-N 2.98Å; S26-V86 VanDerWaalsContact C-CG1 3.41Å |
| 27 | L | 90.6 | Very high | 91.6 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 45% | 0.445 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.7 | -35.8 | -179.9 | -75.7 | 163.9 | 0 | 0 | 0 | 113.1 | L30 A31 K83 V86 | L27-L30 PolarHBondContact O-N 3.16Å; L27-A31 PolarHBondContact O-N 2.81Å; L27-K83 HydrophobicContact CD2-CG 4.41Å; L27-V86 HydrophobicContact CD2-CG1 4.31Å; L27-V86 HydrophobicContact CG-CG1 4.05Å |
| 28 | T | 93.3 | Very high | 91.8 | Very high | 102 Ų | 102 | 49.9 Ų | 49.9 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.6 | -45.6 | 174.2 | -47.5 | 0 | 0 | 0 | 0 | 111.2 | S26 L30 A31 D32 | S26-T28 VanDerWaalsContact C-N 3.28Å; S26-T28 PolarHBondContact O-N 2.82Å; T28-L30 PolarHBondContact O-N 3.32Å; T28-A31 PolarHBondContact O-N 2.85Å; T28-A31 VanDerWaalsContact O-N 3.16Å; T28-D32 PolarHBondContact O-N 3.4Å |
| 29 | G | 93.8 | Very high | 91.9 | Very high | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60 | -34.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S26 D32 F33 | S26-G29 PolarHBondContact O-N 3.22Å; S26-G29 VanDerWaalsContact O-N 3.1Å; S26-G29 PolarHBondContact OG-N 3.17Å; G29-D32 PolarHBondContact O-N 3.48Å; G29-F33 WeakPolarHBondContact O-CB 3.46Å; G29-F33 PolarHBondContact O-N 3.01Å |
| 30 | L | 94.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68 | -44.1 | 173.9 | 179.1 | 57.6 | 0 | 0 | 0 | 112.1 | V24 S26 L27 T28 D32 F33 V34 L82 K83 | V24-L30 HydrophobicContact CG1-CB 3.68Å; V24-L30 HydrophobicContact CG1-CD1 4.17Å; S26-L30 PolarHBondContact O-N 2.98Å; L27-L30 PolarHBondContact O-N 3.16Å; T28-L30 PolarHBondContact O-N 3.32Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 PolarHBondContact O-N 3.26Å; L30-F33 HydrophobicContact CD1-CD1 4.17Å; L30-F33 WeakPolarHBondContact O-CB 3.38Å; L30-F33 PolarHBondContact O-N 3.35Å; L30-V34 HydrophobicContact CD1-CG2 4.19Å; L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 3.35Å; L30-L82 HydrophobicContact CD1-CB 3.7Å; L30-L82 HydrophobicContact CD1-CD1 4.14Å; L30-L82 HydrophobicContact CD1-CG 4.43Å; L30-L82 HydrophobicContact CD2-CB 4.32Å; L30-K83 VanDerWaalsContact CD2-CA 3.4Å; L30-K83 HydrophobicContact CD2-CB 3.76Å; L30-K83 HydrophobicContact CD2-CG 4.38Å |
| 31 | A | 94.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 39% | 0.388 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.8 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L27 T28 K35 | L27-A31 PolarHBondContact O-N 2.81Å; T28-A31 PolarHBondContact O-N 2.85Å; T28-A31 VanDerWaalsContact O-N 3.16Å; A31-K35 VanDerWaalsContact O-CG 3.26Å; A31-K35 WeakPolarHBondContact O-CG 3.47Å; A31-K35 PolarHBondContact O-N 3.33Å; A31-K35 VanDerWaalsContact O-N 3.08Å |
| 32 | D | 94.8 | Very high | 92.9 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75.7 | -29.1 | 177 | -68.4 | -25.2 | 0 | 0 | 0 | 113.4 | T28 G29 L30 K35 R36 | T28-D32 PolarHBondContact O-N 3.4Å; G29-D32 PolarHBondContact O-N 3.48Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 PolarHBondContact O-N 3.26Å; D32-K35 WeakPolarHBondContact OD1-CE 3.49Å; D32-K35 IonicContact OD1-NZ 3.59Å; D32-K35 PolarHBondContact OD1-NZ 3.09Å; D32-R36 VanDerWaalsContact C-NH1 3.32Å; D32-R36 WeakPolarHBondContact O-CG 3.48Å; D32-R36 PolarHBondContact O-N 3.12Å; D32-R36 PolarHBondContact O-NH1 3.27Å |
| 33 | F | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 168.6 | 171 | -91 | 0 | 0 | 0 | 111.2 | V17 L18 A21 V24 G29 L30 K35 R36 L37 L82 | V17-F33 HydrophobicContact CG1-CE2 4.26Å; V17-F33 WeakPolarHBondContact O-CE2 3.33Å; L18-F33 HydrophobicContact CD2-CZ 4.5Å; A21-F33 HydrophobicContact CB-CD2 4.47Å; A21-F33 HydrophobicContact CB-CE2 3.62Å; A21-F33 HydrophobicContact CB-CZ 3.72Å; V24-F33 HydrophobicContact CG2-CB 3.94Å; V24-F33 HydrophobicContact CG2-CD2 3.97Å; V24-F33 HydrophobicContact CG2-CG 4.03Å; G29-F33 WeakPolarHBondContact O-CB 3.46Å; G29-F33 PolarHBondContact O-N 3.01Å; L30-F33 HydrophobicContact CD1-CD1 4.17Å; L30-F33 WeakPolarHBondContact O-CB 3.38Å; L30-F33 PolarHBondContact O-N 3.35Å; F33-K35 PolarHBondContact O-N 3.32Å; F33-R36 PolarHBondContact O-N 3.44Å; F33-L37 HydrophobicContact CE1-CB 4.44Å; F33-L37 HydrophobicContact CE1-CD2 3.73Å; F33-L37 HydrophobicContact CZ-CD2 3.96Å; F33-L37 PolarHBondContact O-N 3.24Å; F33-L82 HydrophobicContact CD1-CD1 4.15Å; F33-L82 HydrophobicContact CE1-CD1 3.56Å; F33-L82 HydrophobicContact CZ-CD1 4.19Å |
| 34 | V | 95.7 | Very high | 94.1 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 22% | 0.218 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 178.2 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L30 R36 L37 T38 I79 | L30-V34 HydrophobicContact CD1-CG2 4.19Å; L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 3.35Å; V34-R36 PolarHBondContact O-N 3.13Å; V34-L37 PolarHBondContact O-N 3.15Å; V34-L37 VanDerWaalsContact O-N 3.16Å; V34-T38 PolarHBondContact O-N 3.18Å; V34-T38 PolarHBondContact O-OG1 3.48Å; V34-I79 HydrophobicContact CG1-CD1 4.23Å; V34-I79 HydrophobicContact CG2-CD1 4.21Å; V34-I79 HydrophobicContact CG2-CG1 4.1Å; V34-I79 HydrophobicContact CG2-CG2 4.21Å |
| 35 | K | 95.5 | Very high | 94.4 | Very high | 138 Ų | 138 | 50.1 Ų | 50.1 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -57.1 | -30.4 | 173.7 | -71.6 | 170.3 | -156.1 | 163.7 | 0 | 113.6 | A31 D32 F33 P39 | A31-K35 VanDerWaalsContact O-CG 3.26Å; A31-K35 WeakPolarHBondContact O-CG 3.47Å; A31-K35 PolarHBondContact O-N 3.33Å; A31-K35 VanDerWaalsContact O-N 3.08Å; D32-K35 WeakPolarHBondContact OD1-CE 3.49Å; D32-K35 IonicContact OD1-NZ 3.59Å; D32-K35 PolarHBondContact OD1-NZ 3.09Å; F33-K35 PolarHBondContact O-N 3.32Å; K35-P39 WeakPolarHBondContact O-CD 3.47Å; K35-P39 WeakPolarHBondContact O-CG 3.44Å |
| 36 | R | 95 | Very high | 94.8 | Very high | 112 Ų | 112 | 52.4 Ų | 52.4 | 42% | 0.423 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -82.1 | -40.7 | 174.6 | -67.5 | -172.7 | -52.4 | -90.5 | 10.6 | 112.3 | V17 D32 F33 V34 C40 | V17-R36 HydrophobicContact CG1-CB 4.18Å; D32-R36 VanDerWaalsContact C-NH1 3.32Å; D32-R36 WeakPolarHBondContact O-CG 3.48Å; D32-R36 PolarHBondContact O-N 3.12Å; D32-R36 PolarHBondContact O-NH1 3.27Å; F33-R36 PolarHBondContact O-N 3.44Å; V34-R36 PolarHBondContact O-N 3.13Å; R36-C40 PolarHBondContact O-SG 3.04Å |
| 37 | L | 94.9 | Very high | 95 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71 | -52.7 | -173.5 | -175.2 | 65.4 | 0 | 0 | 0 | 112.3 | V14 V17 L18 F33 V34 C40 M41 | V14-L37 HydrophobicContact CG1-CD1 4.03Å; V17-L37 HydrophobicContact CB-CD1 4.31Å; V17-L37 HydrophobicContact CG1-CB 4.02Å; V17-L37 HydrophobicContact CG1-CD1 3.93Å; L18-L37 HydrophobicContact CD2-CD1 3.81Å; L18-L37 HydrophobicContact CD2-CD2 4.05Å; L18-L37 HydrophobicContact CG-CD1 4.03Å; F33-L37 HydrophobicContact CE1-CB 4.44Å; F33-L37 HydrophobicContact CE1-CD2 3.73Å; F33-L37 HydrophobicContact CZ-CD2 3.96Å; F33-L37 PolarHBondContact O-N 3.24Å; V34-L37 PolarHBondContact O-N 3.15Å; V34-L37 VanDerWaalsContact O-N 3.16Å; L37-C40 PolarHBondContact O-N 3.19Å; L37-M41 HydrophobicContact CD1-CE 3.9Å; L37-M41 HydrophobicContact CD2-CE 4.28Å; L37-M41 HydrophobicContact CG-CE 4.08Å; L37-M41 WeakPolarHBondContact O-CB 3.19Å; L37-M41 PolarHBondContact O-N 3.25Å |
| 38 | T | 94.3 | Very high | 95.3 | Very high | 69 Ų | 69 | 48.4 Ų | 48.4 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | -170.5 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | V34 M41 A42 | V34-T38 PolarHBondContact O-N 3.18Å; V34-T38 PolarHBondContact O-OG1 3.48Å; T38-M41 PolarHBondContact O-N 3.43Å; T38-A42 WeakPolarHBondContact O-CB 3.49Å; T38-A42 PolarHBondContact O-N 3.3Å |
| 39 | P | 95.1 | Very high | 95.4 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 176.7 | -21.5 | 34.6 | 0 | 0 | 0 | 112.9 | K35 M41 A42 D43 | K35-P39 WeakPolarHBondContact O-CD 3.47Å; K35-P39 WeakPolarHBondContact O-CG 3.44Å; P39-M41 PolarHBondContact O-N 2.88Å; P39-A42 PolarHBondContact O-N 3.4Å; P39-D43 PolarHBondContact O-N 3.32Å |
| 40 | C | 94 | Very high | 95.5 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -34.3 | 179.6 | -61.7 | 0 | 0 | 0 | 0 | 112 | R13 V14 R36 L37 M44 | R13-C40 VanDerWaalsContact CZ-SG 3.53Å; V14-C40 HydrophobicContact CG2-CB 4.11Å; V14-C40 WeakPolarHBondContact CG2-O 2.96Å; R36-C40 PolarHBondContact O-SG 3.04Å; L37-C40 PolarHBondContact O-N 3.19Å; C40-M44 WeakPolarHBondContact O-CB 3.16Å; C40-M44 PolarHBondContact O-N 2.84Å; C40-M44 VanDerWaalsContact O-N 3.1Å |
| 41 | M | 94.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75.9 | -36.6 | 177.9 | -170 | 175.9 | -80.1 | 0 | 0 | 112.5 | V14 L37 T38 P39 M44 I45 V71 T75 M110 | V14-M41 HydrophobicContact CG1-CE 3.82Å; V14-M41 HydrophobicContact CG2-CB 4.44Å; L37-M41 HydrophobicContact CD1-CE 3.9Å; L37-M41 HydrophobicContact CD2-CE 4.28Å; L37-M41 HydrophobicContact CG-CE 4.08Å; L37-M41 WeakPolarHBondContact O-CB 3.19Å; L37-M41 PolarHBondContact O-N 3.25Å; T38-M41 PolarHBondContact O-N 3.43Å; P39-M41 PolarHBondContact O-N 2.88Å; M41-M44 HydrophobicContact CG-CE 4.4Å; M41-M44 PolarHBondContact O-N 2.82Å; M41-I45 HydrophobicContact CG-CD1 4.11Å; M41-I45 WeakPolarHBondContact O-CB 3.29Å; M41-I45 VanDerWaalsContact O-CG1 3.3Å; M41-I45 WeakPolarHBondContact O-CG1 3.42Å; M41-I45 PolarHBondContact O-N 2.88Å; M41-V71 HydrophobicContact CE-CG1 4.07Å; M41-V71 HydrophobicContact CG-CG1 3.69Å; M41-V71 HydrophobicContact SD-CG1 3.59Å; M41-V71 VanDerWaalsContact SD-CG1 3.59Å; M41-T75 HydrophobicContact SD-CG2 4.23Å; M41-T75 PolarHBondContact SD-OG1 3.08Å; M41-M110 HydrophobicContact CE-CE 3.92Å; M41-M110 HydrophobicContact CE-CG 4.45Å; M41-M110 HydrophobicContact CE-SD 3.82Å; M41-M110 HydrophobicContact SD-CE 4.49Å |
| 42 | A | 95.8 | Very high | 95.3 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T38 P39 I45 K46 | T38-A42 WeakPolarHBondContact O-CB 3.49Å; T38-A42 PolarHBondContact O-N 3.3Å; P39-A42 PolarHBondContact O-N 3.4Å; A42-I45 PolarHBondContact O-N 2.8Å; A42-K46 WeakPolarHBondContact O-CB 3.47Å; A42-K46 PolarHBondContact O-N 3.01Å |
| 43 | D | 95.9 | Very high | 95 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 172.4 | -71.1 | -19.3 | 0 | 0 | 0 | 111.1 | R13 P39 K46 E47 | R13-D43 IonicContact NH1-OD2 3.7Å; P39-D43 PolarHBondContact O-N 3.32Å; D43-K46 PolarHBondContact O-N 3.19Å; D43-E47 WeakPolarHBondContact O-CB 3.48Å; D43-E47 WeakPolarHBondContact O-CG 3.29Å; D43-E47 PolarHBondContact O-N 3.37Å; D43-E47 VanDerWaalsContact O-N 3.09Å |
| 44 | M | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 179.1 | -177.8 | -167.2 | 76.4 | 0 | 0 | 111.6 | H10 C11 V14 C40 M41 K46 E47 V48 V71 I114 I117 | H10-M44 HydrophobicContact CB-CB 4.22Å; C11-M44 HydrophobicContact CB-CG 4.48Å; C11-M44 HydrophobicContact CB-SD 4.19Å; V14-M44 HydrophobicContact CB-SD 4.05Å; V14-M44 HydrophobicContact CG2-CB 3.93Å; V14-M44 HydrophobicContact CG2-CG 4.39Å; V14-M44 HydrophobicContact CG2-SD 3.77Å; C40-M44 WeakPolarHBondContact O-CB 3.16Å; C40-M44 PolarHBondContact O-N 2.84Å; C40-M44 VanDerWaalsContact O-N 3.1Å; M41-M44 HydrophobicContact CG-CE 4.4Å; M41-M44 PolarHBondContact O-N 2.82Å; M44-K46 VanDerWaalsContact C-N 3.34Å; M44-K46 PolarHBondContact O-N 2.67Å; M44-E47 PolarHBondContact O-N 3.06Å; M44-V48 HydrophobicContact CG-CG2 4.44Å; M44-V48 WeakPolarHBondContact O-CG2 3.47Å; M44-V48 PolarHBondContact O-N 2.86Å; M44-V48 VanDerWaalsContact O-N 3.07Å; M44-V71 HydrophobicContact CE-CG1 3.9Å; M44-V71 HydrophobicContact CE-CG2 4.2Å; M44-I114 HydrophobicContact CE-CD1 4.41Å; M44-I114 HydrophobicContact CE-CG1 4.05Å; M44-I114 HydrophobicContact SD-CD1 4.45Å; M44-I114 HydrophobicContact SD-CG1 4.18Å; M44-I114 HydrophobicContact SD-CG2 4.02Å; M44-I117 HydrophobicContact CE-CD1 4.42Å |
| 45 | I | 97.1 | Very high | 94.1 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.138 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.3 | -50.8 | 178.9 | -76.7 | 165 | 0 | 0 | 0 | 110 | M41 A42 E47 V48 D49 I68 V71 K72 | M41-I45 HydrophobicContact CG-CD1 4.11Å; M41-I45 WeakPolarHBondContact O-CB 3.29Å; M41-I45 VanDerWaalsContact O-CG1 3.3Å; M41-I45 WeakPolarHBondContact O-CG1 3.42Å; M41-I45 PolarHBondContact O-N 2.88Å; A42-I45 PolarHBondContact O-N 2.8Å; I45-E47 PolarHBondContact O-N 3.43Å; I45-V48 PolarHBondContact O-N 3.33Å; I45-D49 WeakPolarHBondContact O-CB 3.31Å; I45-D49 PolarHBondContact O-N 3.28Å; I45-I68 HydrophobicContact CG2-CG2 3.91Å; I45-V71 HydrophobicContact CD1-CG1 4.15Å; I45-V71 HydrophobicContact CG1-CG1 4.4Å; I45-K72 HydrophobicContact CD1-CG 3.94Å |
| 46 | K | 96.8 | Very high | 93.1 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.6 | -45 | -178 | -176.2 | -174.1 | 175.8 | -171.8 | 0 | 112.9 | A42 D43 M44 V48 D49 N50 | A42-K46 WeakPolarHBondContact O-CB 3.47Å; A42-K46 PolarHBondContact O-N 3.01Å; D43-K46 PolarHBondContact O-N 3.19Å; M44-K46 VanDerWaalsContact C-N 3.34Å; M44-K46 PolarHBondContact O-N 2.67Å; K46-V48 VanDerWaalsContact C-N 3.3Å; K46-V48 PolarHBondContact O-N 2.97Å; K46-D49 PolarHBondContact O-N 2.79Å; K46-N50 WeakPolarHBondContact O-CB 3.35Å; K46-N50 PolarHBondContact O-N 3.46Å; K46-N50 PolarHBondContact O-OD1 3.46Å |
| 47 | E | 96.6 | Very high | 92 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71 | -25 | -178.2 | -70.3 | -87.4 | 139.3 | 0 | 0 | 112.7 | K6 I7 D43 M44 I45 R51 | K6-E47 VanDerWaalsContact CE-OE2 3.25Å; K6-E47 WeakPolarHBondContact CE-OE2 3.4Å; K6-E47 IonicContact NZ-OE1 3.75Å; K6-E47 PolarHBondContact NZ-OE1 3.38Å; K6-E47 IonicContact NZ-OE2 3.29Å; K6-E47 PolarHBondContact NZ-OE2 3.17Å; I7-E47 HydrophobicContact CG1-CB 4.3Å; I7-E47 HydrophobicContact CG2-CB 4.27Å; D43-E47 WeakPolarHBondContact O-CB 3.48Å; D43-E47 WeakPolarHBondContact O-CG 3.29Å; D43-E47 PolarHBondContact O-N 3.37Å; D43-E47 VanDerWaalsContact O-N 3.09Å; M44-E47 PolarHBondContact O-N 3.06Å; I45-E47 PolarHBondContact O-N 3.43Å; E47-R51 WeakPolarHBondContact O-CB 3.34Å |
| 48 | V | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -80.4 | -37.8 | 171.1 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | I7 M44 I45 K46 R51 Q52 L64 I68 I117 L121 | I7-V48 HydrophobicContact CG2-CG2 3.57Å; M44-V48 HydrophobicContact CG-CG2 4.44Å; M44-V48 WeakPolarHBondContact O-CG2 3.47Å; M44-V48 PolarHBondContact O-N 2.86Å; M44-V48 VanDerWaalsContact O-N 3.07Å; I45-V48 PolarHBondContact O-N 3.33Å; K46-V48 VanDerWaalsContact C-N 3.3Å; K46-V48 PolarHBondContact O-N 2.97Å; V48-R51 PolarHBondContact O-N 3.02Å; V48-R51 VanDerWaalsContact O-N 3.11Å; V48-Q52 PolarHBondContact O-N 3.38Å; V48-L64 HydrophobicContact CG1-CB 4Å; V48-L64 HydrophobicContact CG1-CD1 4.31Å; V48-L64 HydrophobicContact CG1-CD2 4.06Å; V48-L64 HydrophobicContact CG1-CG 4.35Å; V48-I68 HydrophobicContact CB-CD1 4.03Å; V48-I68 HydrophobicContact CB-CG1 4.26Å; V48-I68 HydrophobicContact CG1-CD1 3.77Å; V48-I68 HydrophobicContact CG1-CG1 3.99Å; V48-I117 HydrophobicContact CB-CG2 4.5Å; V48-I117 HydrophobicContact CG1-CG2 3.95Å; V48-I117 HydrophobicContact CG2-CG2 3.66Å; V48-L121 HydrophobicContact CG2-CD1 4.32Å |
| 49 | D | 96.1 | Very high | 89.7 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.9 | -50.9 | -179.3 | -146.6 | -5.4 | 0 | 0 | 0 | 110.8 | I45 K46 R51 Q52 E53 I68 | I45-D49 WeakPolarHBondContact O-CB 3.31Å; I45-D49 PolarHBondContact O-N 3.28Å; K46-D49 PolarHBondContact O-N 2.79Å; D49-R51 PolarHBondContact O-N 2.93Å; D49-R51 VanDerWaalsContact O-N 3.1Å; D49-Q52 VanDerWaalsContact O-CG 3.32Å; D49-Q52 WeakPolarHBondContact O-CG 3.48Å; D49-Q52 PolarHBondContact O-N 3.41Å; D49-Q52 VanDerWaalsContact O-N 3.14Å; D49-Q52 PolarHBondContact O-NE2 3.37Å; D49-Q52 PolarHBondContact OD1-NE2 2.93Å; D49-E53 PolarHBondContact O-N 3.48Å; D49-I68 HydrophobicContact CB-CD1 3.9Å |
| 50 | N | 95.6 | Very high | 88.8 | Confident | 75 Ų | 75 | 57 Ų | 57 | 40% | 0.401 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -51.5 | -36.4 | 170.4 | -68.7 | -2.5 | 0 | 0 | 0 | 112.2 | K46 | K46-N50 WeakPolarHBondContact O-CB 3.35Å; K46-N50 PolarHBondContact O-N 3.46Å; K46-N50 PolarHBondContact O-OD1 3.46Å |
| 51 | R | 93.1 | Very high | 88.3 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 25% | 0.249 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -80.1 | -29.1 | -176.1 | -179.7 | 57.8 | -166.4 | 157.3 | 13.2 | 112.9 | I7 E47 V48 D49 E53 E54 L55 L121 | I7-R51 HydrophobicContact CD1-CB 3.62Å; I7-R51 HydrophobicContact CD1-CG 3.65Å; E47-R51 WeakPolarHBondContact O-CB 3.34Å; V48-R51 PolarHBondContact O-N 3.02Å; V48-R51 VanDerWaalsContact O-N 3.11Å; D49-R51 PolarHBondContact O-N 2.93Å; D49-R51 VanDerWaalsContact O-N 3.1Å; R51-E53 VanDerWaalsContact C-N 3.33Å; R51-E54 WeakPolarHBondContact CD-OE2 3.48Å; R51-E54 IonicContact CZ-OE2 3.7Å; R51-E54 IonicContact NE-OE2 2.71Å; R51-E54 IonicContact NH1-OE2 2.77Å; R51-E54 PolarHBondContact NH1-OE2 3.41Å; R51-E54 PolarHBondContact O-N 2.95Å; R51-L55 VanDerWaalsContact NH2-CD2 3.34Å; R51-L121 HydrophobicContact CB-CD2 4.41Å; R51-L121 HydrophobicContact CG-CD2 3.84Å |
| 52 | Q | 91.4 | Very high | 87.5 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.6 | -29.8 | 176.6 | 66.2 | 68.9 | 21.7 | 0 | 0 | 112.1 | V48 D49 E54 L55 S61 L64 | V48-Q52 PolarHBondContact O-N 3.38Å; D49-Q52 VanDerWaalsContact O-CG 3.32Å; D49-Q52 WeakPolarHBondContact O-CG 3.48Å; D49-Q52 PolarHBondContact O-N 3.41Å; D49-Q52 VanDerWaalsContact O-N 3.14Å; D49-Q52 PolarHBondContact O-NE2 3.37Å; D49-Q52 PolarHBondContact OD1-NE2 2.93Å; Q52-E54 VanDerWaalsContact C-N 3.29Å; Q52-E54 PolarHBondContact O-N 3.37Å; Q52-L55 PolarHBondContact O-N 2.89Å; Q52-S61 PolarHBondContact OE1-OG 3.45Å; Q52-L64 HydrophobicContact CB-CB 3.95Å; Q52-L64 HydrophobicContact CB-CD1 4.17Å |
| 53 | E | 89.3 | Confident | 86.8 | Confident | 151 Ų | 151 | 58.7 Ų | 58.7 | 71% | 0.706 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.3 | -27.3 | 170.8 | -61.3 | -172.1 | 150.4 | 0 | 0 | 113.1 | D49 R51 | D49-E53 PolarHBondContact O-N 3.48Å; R51-E53 VanDerWaalsContact C-N 3.33Å |
| 54 | E | 87.6 | Confident | 86.6 | Confident | 122 Ų | 122 | 55.3 Ų | 55.3 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6 | 176.5 | -67.6 | 179.9 | 163.2 | 0 | 0 | 114.2 | R51 Q52 | R51-E54 WeakPolarHBondContact CD-OE2 3.48Å; R51-E54 IonicContact CZ-OE2 3.7Å; R51-E54 IonicContact NE-OE2 2.71Å; R51-E54 IonicContact NH1-OE2 2.77Å; R51-E54 PolarHBondContact NH1-OE2 3.41Å; R51-E54 PolarHBondContact O-N 2.95Å; Q52-E54 VanDerWaalsContact C-N 3.29Å; Q52-E54 PolarHBondContact O-N 3.37Å |
| 55 | L | 83 | Confident | 86.3 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | trans | -87.1 | 123.3 | -175.5 | -74.1 | 173 | 0 | 0 | 0 | 111.8 | R51 Q52 I57 H60 L64 | R51-L55 VanDerWaalsContact NH2-CD2 3.34Å; Q52-L55 PolarHBondContact O-N 2.89Å; L55-I57 PolarHBondContact O-N 3.4Å; L55-H60 HydrophobicContact CD1-CB 3.91Å; L55-L64 HydrophobicContact CD1-CD1 3.72Å | ||
| 56 | T | 74.7 | Confident | 85.8 | Confident | 131 Ų | 131 | 60.1 Ų | 60.1 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -69.4 | -23.9 | 170.9 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 57 | I | 71.9 | Confident | 85.5 | Confident | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.092 | 28% | 0.28 | C | S | . | . | trans | -94.4 | 110.6 | -177.1 | -53.5 | -178.6 | 0 | 0 | 0 | 108.6 | L55 S59 H60 S61 E125 D127 | L55-I57 PolarHBondContact O-N 3.4Å; I57-S59 VanDerWaalsContact CG2-OG 3.3Å; I57-S59 WeakPolarHBondContact CG2-OG 3.21Å; I57-S59 PolarHBondContact O-N 2.99Å; I57-H60 HydrophobicContact CB-CB 4.32Å; I57-H60 HydrophobicContact CG2-CB 4.32Å; I57-H60 PolarHBondContact O-N 3.18Å; I57-S61 PolarHBondContact O-N 3.26Å; I57-S61 VanDerWaalsContact O-N 3.14Å; I57-E125 WeakPolarHBondContact CD1-O 3.31Å; I57-D127 WeakPolarHBondContact CG1-OD1 3.38Å | ||
| 58 | Q | 70.6 | Confident | 85.4 | Confident | 135 Ų | 135 | 52.1 Ų | 52.1 | 63% | 0.631 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -71.1 | -30.3 | -172.5 | -68.4 | -166.7 | 3.2 | 0 | 0 | 113.5 | H60 S61 A62 | Q58-H60 VanDerWaalsContact C-N 3.34Å; Q58-H60 PolarHBondContact O-N 3.4Å; Q58-S61 PolarHBondContact O-N 3.07Å; Q58-A62 WeakPolarHBondContact O-CB 3.02Å; Q58-A62 PolarHBondContact O-N 3.44Å |
| 59 | S | 69.8 | Low | 85.2 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 174 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | I57 A62 L63 E130 | I57-S59 VanDerWaalsContact CG2-OG 3.3Å; I57-S59 WeakPolarHBondContact CG2-OG 3.21Å; I57-S59 PolarHBondContact O-N 2.99Å; S59-A62 PolarHBondContact O-N 3.49Å; S59-L63 WeakPolarHBondContact O-CB 3.27Å; S59-L63 PolarHBondContact O-N 2.86Å; S59-E130 VanDerWaalsContact CB-OE1 3.23Å; S59-E130 WeakPolarHBondContact CB-OE1 3.44Å; S59-E130 PolarHBondContact OG-OE1 3.31Å |
| 60 | H | 78 | Confident | 84.9 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.1 | -41 | 176.3 | -60.4 | 165.5 | 0 | 0 | 0 | 111.9 | L55 I57 Q58 L63 L64 L123 | L55-H60 HydrophobicContact CD1-CB 3.91Å; I57-H60 HydrophobicContact CB-CB 4.32Å; I57-H60 HydrophobicContact CG2-CB 4.32Å; I57-H60 PolarHBondContact O-N 3.18Å; Q58-H60 VanDerWaalsContact C-N 3.34Å; Q58-H60 PolarHBondContact O-N 3.4Å; H60-L63 PolarHBondContact O-N 2.75Å; H60-L64 WeakPolarHBondContact O-CG 3.3Å; H60-L64 PolarHBondContact O-N 2.84Å; H60-L64 VanDerWaalsContact O-N 3.13Å; H60-L123 WeakPolarHBondContact CD2-CD1 3.44Å; H60-L123 WeakPolarHBondContact NE2-CD1 3.48Å |
| 61 | S | 83.5 | Confident | 84.9 | Confident | 23 Ų | 23 | 52 Ų | 52 | 16% | 0.161 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.1 | -51.9 | 173 | 164.3 | 0 | 0 | 0 | 0 | 111.5 | Q52 I57 Q58 L63 L64 L65 | Q52-S61 PolarHBondContact OE1-OG 3.45Å; I57-S61 PolarHBondContact O-N 3.26Å; I57-S61 VanDerWaalsContact O-N 3.14Å; Q58-S61 PolarHBondContact O-N 3.07Å; S61-L63 VanDerWaalsContact C-N 3.32Å; S61-L63 PolarHBondContact O-N 2.96Å; S61-L64 PolarHBondContact O-N 3.41Å; S61-L64 VanDerWaalsContact O-N 3.14Å; S61-L65 PolarHBondContact O-N 3.22Å |
| 62 | A | 77.5 | Confident | 84.9 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q58 S59 L65 R66 | Q58-A62 WeakPolarHBondContact O-CB 3.02Å; Q58-A62 PolarHBondContact O-N 3.44Å; S59-A62 PolarHBondContact O-N 3.49Å; A62-L65 PolarHBondContact O-N 2.96Å; A62-R66 WeakPolarHBondContact O-CB 3.36Å; A62-R66 PolarHBondContact O-N 3.44Å |
| 63 | L | 81.6 | Confident | 84.9 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 13% | 0.131 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 174.7 | 178.8 | 155.5 | 0 | 0 | 0 | 112.2 | S59 H60 S61 G67 | S59-L63 WeakPolarHBondContact O-CB 3.27Å; S59-L63 PolarHBondContact O-N 2.86Å; H60-L63 PolarHBondContact O-N 2.75Å; S61-L63 VanDerWaalsContact C-N 3.32Å; S61-L63 PolarHBondContact O-N 2.96Å; L63-G67 PolarHBondContact O-N 2.91Å; L63-G67 VanDerWaalsContact O-N 3.08Å |
| 64 | L | 90.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68 | -41.6 | 176.8 | -69.6 | -177.1 | 0 | 0 | 0 | 111.8 | V48 Q52 L55 H60 S61 G67 I68 I117 L121 | V48-L64 HydrophobicContact CG1-CB 4Å; V48-L64 HydrophobicContact CG1-CD1 4.31Å; V48-L64 HydrophobicContact CG1-CD2 4.06Å; V48-L64 HydrophobicContact CG1-CG 4.35Å; Q52-L64 HydrophobicContact CB-CB 3.95Å; Q52-L64 HydrophobicContact CB-CD1 4.17Å; L55-L64 HydrophobicContact CD1-CD1 3.72Å; H60-L64 WeakPolarHBondContact O-CG 3.3Å; H60-L64 PolarHBondContact O-N 2.84Å; H60-L64 VanDerWaalsContact O-N 3.13Å; S61-L64 PolarHBondContact O-N 3.41Å; S61-L64 VanDerWaalsContact O-N 3.14Å; L64-G67 PolarHBondContact O-N 3.02Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 3.12Å; L64-I117 HydrophobicContact CD2-CG2 4.27Å; L64-I117 WeakPolarHBondContact CD2-O 3.48Å; L64-L121 HydrophobicContact CD1-CD2 3.97Å; L64-L121 HydrophobicContact CD1-CG 4.49Å; L64-L121 HydrophobicContact CD2-CD2 4.37Å; L64-L121 HydrophobicContact CD2-CG 4.05Å |
| 65 | L | 90.8 | Very high | 85.5 | Confident | 64 Ų | 64 | 43.2 Ų | 43.2 | 34% | 0.335 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 175.7 | -173.6 | 63.4 | 0 | 0 | 0 | 111.5 | S61 A62 G67 I68 E69 | S61-L65 PolarHBondContact O-N 3.22Å; A62-L65 PolarHBondContact O-N 2.96Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.31Å; L65-I68 WeakPolarHBondContact O-CB 3.26Å; L65-I68 PolarHBondContact O-N 3.14Å; L65-I68 VanDerWaalsContact O-N 3.16Å; L65-E69 WeakPolarHBondContact O-CG 3.43Å; L65-E69 PolarHBondContact O-N 2.79Å |
| 66 | R | 87.8 | Confident | 86.1 | Confident | 66 Ų | 66 | 44.8 Ų | 44.8 | 25% | 0.249 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.9 | -46.4 | 172.4 | -175.1 | -158.9 | 69.9 | 76 | 14.6 | 111.3 | A62 E69 Q70 E113 | A62-R66 WeakPolarHBondContact O-CB 3.36Å; A62-R66 PolarHBondContact O-N 3.44Å; R66-E69 PolarHBondContact O-N 3.46Å; R66-Q70 WeakPolarHBondContact O-CG 3.44Å; R66-Q70 PolarHBondContact O-N 2.62Å; R66-E113 IonicContact CZ-OE1 3.71Å; R66-E113 IonicContact CZ-OE2 2.6Å; R66-E113 VanDerWaalsContact CZ-OE2 3.27Å; R66-E113 VanDerWaalsContact NH1-CD 3.32Å; R66-E113 IonicContact NH1-OE1 3.43Å; R66-E113 PolarHBondContact NH1-OE1 3.07Å; R66-E113 IonicContact NH1-OE2 2.67Å; R66-E113 PolarHBondContact NH1-OE2 2.73Å; R66-E113 VanDerWaalsContact NH1-OE2 3.07Å; R66-E113 IonicContact NH2-OE1 2.67Å; R66-E113 IonicContact NH2-OE2 2.64Å; R66-E113 PolarHBondContact NH2-OE2 3.11Å |
| 67 | G | 89.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L63 L64 L65 E69 Q70 V71 | L63-G67 PolarHBondContact O-N 2.91Å; L63-G67 VanDerWaalsContact O-N 3.08Å; L64-G67 PolarHBondContact O-N 3.02Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.31Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 2.97Å; G67-Q70 PolarHBondContact O-N 3.45Å; G67-V71 WeakPolarHBondContact O-CG2 3.5Å; G67-V71 PolarHBondContact O-N 3.14Å |
| 68 | I | 94.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 174.2 | -73.1 | 164.6 | 0 | 0 | 0 | 111.1 | I45 V48 D49 L64 L65 V71 K72 | I45-I68 HydrophobicContact CG2-CG2 3.91Å; V48-I68 HydrophobicContact CB-CD1 4.03Å; V48-I68 HydrophobicContact CB-CG1 4.26Å; V48-I68 HydrophobicContact CG1-CD1 3.77Å; V48-I68 HydrophobicContact CG1-CG1 3.99Å; D49-I68 HydrophobicContact CB-CD1 3.9Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 3.12Å; L65-I68 WeakPolarHBondContact O-CB 3.26Å; L65-I68 PolarHBondContact O-N 3.14Å; L65-I68 VanDerWaalsContact O-N 3.16Å; I68-V71 PolarHBondContact O-N 2.91Å; I68-K72 HydrophobicContact CG2-CD 3.84Å; I68-K72 HydrophobicContact CG2-CG 4.5Å; I68-K72 WeakPolarHBondContact O-CB 3.37Å; I68-K72 VanDerWaalsContact O-CG 3.27Å; I68-K72 WeakPolarHBondContact O-CG 3.46Å; I68-K72 PolarHBondContact O-N 3.33Å |
| 69 | E | 92.1 | Very high | 89.4 | Confident | 106 Ų | 106 | 33.8 Ų | 33.8 | 50% | 0.495 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 178 | -70.5 | 179.4 | 165.6 | 0 | 0 | 112.4 | L65 R66 G67 K72 R73 | L65-E69 WeakPolarHBondContact O-CG 3.43Å; L65-E69 PolarHBondContact O-N 2.79Å; R66-E69 PolarHBondContact O-N 3.46Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 2.97Å; E69-K72 PolarHBondContact O-N 2.85Å; E69-R73 VanDerWaalsContact O-CB 3.32Å; E69-R73 WeakPolarHBondContact O-CB 3.5Å; E69-R73 PolarHBondContact O-N 3.34Å |
| 70 | Q | 90.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 176.4 | -63.4 | -40.1 | -54.2 | 0 | 0 | 112.1 | R66 G67 K72 R73 L74 E113 | R66-Q70 WeakPolarHBondContact O-CG 3.44Å; R66-Q70 PolarHBondContact O-N 2.62Å; G67-Q70 PolarHBondContact O-N 3.45Å; Q70-K72 VanDerWaalsContact C-N 3.34Å; Q70-K72 PolarHBondContact O-N 3.38Å; Q70-R73 PolarHBondContact O-N 2.96Å; Q70-R73 VanDerWaalsContact O-N 3.17Å; Q70-R73 VanDerWaalsContact OE1-CZ 3.25Å; Q70-L74 WeakPolarHBondContact O-CB 3.48Å; Q70-L74 VanDerWaalsContact O-CG 3.25Å; Q70-L74 WeakPolarHBondContact O-CG 3.22Å; Q70-L74 PolarHBondContact O-N 3.35Å; Q70-E113 HydrophobicContact CB-CB 4.38Å; Q70-E113 HydrophobicContact CB-CG 3.8Å; Q70-E113 HydrophobicContact CG-CG 4.31Å |
| 71 | V | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 175.6 | 171 | 0 | 0 | 0 | 0 | 111 | M41 M44 I45 G67 I68 R73 T75 M110 E113 I114 I117 | M41-V71 HydrophobicContact CE-CG1 4.07Å; M41-V71 HydrophobicContact CG-CG1 3.69Å; M41-V71 HydrophobicContact SD-CG1 3.59Å; M41-V71 VanDerWaalsContact SD-CG1 3.59Å; M44-V71 HydrophobicContact CE-CG1 3.9Å; M44-V71 HydrophobicContact CE-CG2 4.2Å; I45-V71 HydrophobicContact CD1-CG1 4.15Å; I45-V71 HydrophobicContact CG1-CG1 4.4Å; G67-V71 WeakPolarHBondContact O-CG2 3.5Å; G67-V71 PolarHBondContact O-N 3.14Å; I68-V71 PolarHBondContact O-N 2.91Å; V71-R73 PolarHBondContact O-N 3.03Å; V71-T75 PolarHBondContact O-N 3.03Å; V71-T75 PolarHBondContact O-OG1 3.2Å; V71-M110 HydrophobicContact CB-SD 4.18Å; V71-M110 HydrophobicContact CG1-SD 3.9Å; V71-M110 HydrophobicContact CG2-SD 4.04Å; V71-E113 HydrophobicContact CG2-CB 4.47Å; V71-I114 HydrophobicContact CG2-CG1 4Å; V71-I117 HydrophobicContact CG2-CD1 3.98Å |
| 72 | K | 94.2 | Very high | 92 | Very high | 105 Ų | 105 | 31.3 Ų | 31.3 | 46% | 0.457 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 174.2 | -73.5 | 167.4 | 179.6 | 168.2 | 0 | 111.6 | I45 I68 E69 Q70 P76 | I45-K72 HydrophobicContact CD1-CG 3.94Å; I68-K72 HydrophobicContact CG2-CD 3.84Å; I68-K72 HydrophobicContact CG2-CG 4.5Å; I68-K72 WeakPolarHBondContact O-CB 3.37Å; I68-K72 VanDerWaalsContact O-CG 3.27Å; I68-K72 WeakPolarHBondContact O-CG 3.46Å; I68-K72 PolarHBondContact O-N 3.33Å; E69-K72 PolarHBondContact O-N 2.85Å; Q70-K72 VanDerWaalsContact C-N 3.34Å; Q70-K72 PolarHBondContact O-N 3.38Å; K72-P76 WeakPolarHBondContact O-CD 3.44Å |
| 73 | R | 91.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 19% | 0.189 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.8 | -44.1 | -178.1 | -171.6 | 167.5 | 73.8 | 115.3 | 5.6 | 113.3 | E69 Q70 V71 P76 I77 H511 D514 T515 | E69-R73 VanDerWaalsContact O-CB 3.32Å; E69-R73 WeakPolarHBondContact O-CB 3.5Å; E69-R73 PolarHBondContact O-N 3.34Å; Q70-R73 PolarHBondContact O-N 2.96Å; Q70-R73 VanDerWaalsContact O-N 3.17Å; Q70-R73 VanDerWaalsContact OE1-CZ 3.25Å; V71-R73 PolarHBondContact O-N 3.03Å; R73-P76 WeakPolarHBondContact O-CD 3.4Å; R73-I77 WeakPolarHBondContact O-CD1 3.39Å; R73-I77 WeakPolarHBondContact O-CG1 3.34Å; R73-H511 VanDerWaalsContact CZ-NE2 3.29Å; R73-H511 PolarHBondContact NH1-CD2 3.03Å; R73-H511 PolarHBondContact NH1-O 3.25Å; R73-H511 PolarHBondContact NH2-CD2 3.36Å; R73-H511 PolarHBondContact NH2-NE2 3.23Å; R73-D514 IonicContact CZ-OD2 3.31Å; R73-D514 IonicContact NH1-OD2 3.39Å; R73-D514 PolarHBondContact NH1-OD2 3.46Å; R73-T515 PolarHBondContact NH2-OG1 2.96Å |
| 74 | L | 94.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.8 | -28.1 | -177 | -68.8 | 170.4 | 0 | 0 | 0 | 113.4 | Q70 I77 L78 L106 E109 M110 E113 H511 | Q70-L74 WeakPolarHBondContact O-CB 3.48Å; Q70-L74 VanDerWaalsContact O-CG 3.25Å; Q70-L74 WeakPolarHBondContact O-CG 3.22Å; Q70-L74 PolarHBondContact O-N 3.35Å; L74-I77 PolarHBondContact O-N 3.38Å; L74-I77 VanDerWaalsContact O-N 3.17Å; L74-L78 WeakPolarHBondContact O-CB 3.49Å; L74-L78 PolarHBondContact O-N 3.06Å; L74-L106 HydrophobicContact CD2-CD2 4.17Å; L74-E109 HydrophobicContact CD1-CB 4.49Å; L74-E109 HydrophobicContact CD1-CG 3.96Å; L74-E109 HydrophobicContact CD2-CG 4.21Å; L74-E109 WeakPolarHBondContact CD2-OE2 3.35Å; L74-M110 HydrophobicContact CB-CE 3.55Å; L74-M110 HydrophobicContact CB-SD 4.33Å; L74-M110 HydrophobicContact CD1-CB 4.48Å; L74-E113 HydrophobicContact CD1-CG 4.33Å; L74-H511 WeakPolarHBondContact CD2-NE2 3.41Å |
| 75 | T | 94.5 | Very high | 93.6 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 14% | 0.135 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -52.9 | -55.6 | -174.9 | -66.2 | 0 | 0 | 0 | 0 | 114.4 | M41 V71 I77 L78 I79 M110 | M41-T75 HydrophobicContact SD-CG2 4.23Å; M41-T75 PolarHBondContact SD-OG1 3.08Å; V71-T75 PolarHBondContact O-N 3.03Å; V71-T75 PolarHBondContact O-OG1 3.2Å; T75-I77 VanDerWaalsContact C-N 3.31Å; T75-I77 PolarHBondContact O-N 2.85Å; T75-L78 PolarHBondContact O-N 3.46Å; T75-I79 HydrophobicContact CG2-CD1 4.02Å; T75-I79 WeakPolarHBondContact O-CG1 3.44Å; T75-I79 PolarHBondContact O-N 3.38Å; T75-I79 VanDerWaalsContact O-N 3.12Å; T75-M110 WeakPolarHBondContact OG1-CE 3.3Å |
| 76 | P | 94.9 | Very high | 93.8 | Very high | 65 Ų | 65 | 30.8 Ų | 30.8 | 42% | 0.422 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -66 | -33.4 | 178.9 | 26.7 | -35.8 | 0 | 0 | 0 | 112.5 | K72 R73 I79 S80 M507 | K72-P76 WeakPolarHBondContact O-CD 3.44Å; R73-P76 WeakPolarHBondContact O-CD 3.4Å; P76-I79 PolarHBondContact O-N 2.84Å; P76-S80 WeakPolarHBondContact O-CB 3.33Å; P76-S80 PolarHBondContact O-N 2.98Å; P76-M507 HydrophobicContact CB-CE 3.83Å; P76-M507 HydrophobicContact CG-CE 4.4Å; P76-M507 WeakPolarHBondContact O-CE 3.23Å |
| 77 | I | 96.6 | Very high | 94 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.046 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.6 | -46.2 | -180 | -46.2 | 175.7 | 0 | 0 | 0 | 110 | R73 L74 T75 S80 S81 L106 M507 M508 H511 | R73-I77 WeakPolarHBondContact O-CD1 3.39Å; R73-I77 WeakPolarHBondContact O-CG1 3.34Å; L74-I77 PolarHBondContact O-N 3.38Å; L74-I77 VanDerWaalsContact O-N 3.17Å; T75-I77 VanDerWaalsContact C-N 3.31Å; T75-I77 PolarHBondContact O-N 2.85Å; I77-S80 WeakPolarHBondContact O-CB 3.49Å; I77-S80 PolarHBondContact O-N 3.12Å; I77-S81 PolarHBondContact O-N 3.16Å; I77-L106 HydrophobicContact CB-CD2 4.27Å; I77-L106 HydrophobicContact CG2-CD1 3.78Å; I77-L106 HydrophobicContact CG2-CD2 3.81Å; I77-L106 HydrophobicContact CG2-CG 4.48Å; I77-M507 HydrophobicContact CB-CE 4.49Å; I77-M507 HydrophobicContact CG1-CB 4.46Å; I77-M507 HydrophobicContact CG1-CE 4.17Å; I77-M507 HydrophobicContact CG2-CB 4.36Å; I77-M508 HydrophobicContact CG2-SD 3.69Å; I77-H511 HydrophobicContact CD1-CB 3.9Å |
| 78 | L | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 174.9 | 173.3 | 58.6 | 0 | 0 | 0 | 112.2 | L18 L74 T75 S80 S81 L82 L106 L107 M110 | L18-L78 HydrophobicContact CD2-CD2 3.8Å; L74-L78 WeakPolarHBondContact O-CB 3.49Å; L74-L78 PolarHBondContact O-N 3.06Å; T75-L78 PolarHBondContact O-N 3.46Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 3.29Å; L78-S81 PolarHBondContact O-N 2.87Å; L78-L82 HydrophobicContact CD1-CD1 3.88Å; L78-L82 HydrophobicContact CD1-CG 4.11Å; L78-L82 HydrophobicContact CG-CD1 3.98Å; L78-L82 WeakPolarHBondContact O-CB 3.27Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 3.46Å; L78-L106 HydrophobicContact CB-CB 4.28Å; L78-L106 HydrophobicContact CD1-CB 3.95Å; L78-L107 HydrophobicContact CD1-CD2 3.71Å; L78-L107 HydrophobicContact CD1-CG 3.76Å; L78-L107 HydrophobicContact CD2-CD2 4.07Å; L78-L107 HydrophobicContact CG-CD2 4.49Å; L78-M110 HydrophobicContact CD2-CE 4.3Å; L78-M110 HydrophobicContact CD2-CG 4.46Å |
| 79 | I | 94.7 | Very high | 94 | Very high | 45 Ų | 45 | 33.6 Ų | 33.6 | 23% | 0.231 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 177.4 | -67.2 | 169.5 | 0 | 0 | 0 | 111.1 | V34 T75 P76 K83 | V34-I79 HydrophobicContact CG1-CD1 4.23Å; V34-I79 HydrophobicContact CG2-CD1 4.21Å; V34-I79 HydrophobicContact CG2-CG1 4.1Å; V34-I79 HydrophobicContact CG2-CG2 4.21Å; T75-I79 HydrophobicContact CG2-CD1 4.02Å; T75-I79 WeakPolarHBondContact O-CG1 3.44Å; T75-I79 PolarHBondContact O-N 3.38Å; T75-I79 VanDerWaalsContact O-N 3.12Å; P76-I79 PolarHBondContact O-N 2.84Å; I79-K83 WeakPolarHBondContact O-CB 3.48Å; I79-K83 PolarHBondContact O-N 3.15Å |
| 80 | S | 96 | Very high | 93.9 | Very high | 26 Ų | 26 | 32.9 Ų | 32.9 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -47 | 174.6 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | P76 I77 L78 K83 L84 | P76-S80 WeakPolarHBondContact O-CB 3.33Å; P76-S80 PolarHBondContact O-N 2.98Å; I77-S80 WeakPolarHBondContact O-CB 3.49Å; I77-S80 PolarHBondContact O-N 3.12Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 3.29Å; S80-K83 WeakPolarHBondContact O-CB 3.46Å; S80-K83 PolarHBondContact O-N 3.18Å; S80-L84 WeakPolarHBondContact O-CB 3.27Å; S80-L84 PolarHBondContact O-N 3.47Å |
| 81 | S | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 178.9 | -148.9 | 0 | 0 | 0 | 0 | 112.9 | I77 L78 K83 L84 H85 N102 R103 H504 | I77-S81 PolarHBondContact O-N 3.16Å; L78-S81 PolarHBondContact O-N 2.87Å; S81-K83 PolarHBondContact O-N 3.37Å; S81-L84 PolarHBondContact O-N 3.28Å; S81-H85 WeakPolarHBondContact O-CB 3.33Å; S81-H85 PolarHBondContact O-N 3.34Å; S81-N102 VanDerWaalsContact OG-CB 3.25Å; S81-N102 WeakPolarHBondContact OG-CB 3.42Å; S81-R103 PolarHBondContact OG-N 2.94Å; S81-H504 VanDerWaalsContact CB-CE1 3.44Å; S81-H504 WeakPolarHBondContact CB-CE1 3.46Å; S81-H504 WeakPolarHBondContact CB-NE2 2.89Å; S81-H504 PolarHBondContact OG-NE2 2.72Å |
| 82 | L | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.5 | -79.3 | 163.7 | 0 | 0 | 0 | 111.8 | A21 L30 F33 L78 L84 V86 R103 | A21-L82 HydrophobicContact CB-CD2 4.25Å; L30-L82 HydrophobicContact CD1-CB 3.7Å; L30-L82 HydrophobicContact CD1-CD1 4.14Å; L30-L82 HydrophobicContact CD1-CG 4.43Å; L30-L82 HydrophobicContact CD2-CB 4.32Å; F33-L82 HydrophobicContact CD1-CD1 4.15Å; F33-L82 HydrophobicContact CE1-CD1 3.56Å; F33-L82 HydrophobicContact CZ-CD1 4.19Å; L78-L82 HydrophobicContact CD1-CD1 3.88Å; L78-L82 HydrophobicContact CD1-CG 4.11Å; L78-L82 HydrophobicContact CG-CD1 3.98Å; L78-L82 WeakPolarHBondContact O-CB 3.27Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 3.46Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.28Å; L82-V86 WeakPolarHBondContact O-CB 3.38Å; L82-V86 WeakPolarHBondContact O-CG2 3.42Å; L82-V86 PolarHBondContact O-N 2.72Å; L82-R103 HydrophobicContact CD2-CG 3.64Å; L82-R103 HydrophobicContact CG-CG 4.16Å |
| 83 | K | 94.6 | Very high | 93.4 | Very high | 119 Ų | 119 | 37.5 Ų | 37.5 | 52% | 0.517 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 177.2 | -175.8 | -173 | 173.6 | -167.3 | 0 | 111.6 | L27 L30 I79 S80 S81 N87 | L27-K83 HydrophobicContact CD2-CG 4.41Å; L30-K83 VanDerWaalsContact CD2-CA 3.4Å; L30-K83 HydrophobicContact CD2-CB 3.76Å; L30-K83 HydrophobicContact CD2-CG 4.38Å; I79-K83 WeakPolarHBondContact O-CB 3.48Å; I79-K83 PolarHBondContact O-N 3.15Å; S80-K83 WeakPolarHBondContact O-CB 3.46Å; S80-K83 PolarHBondContact O-N 3.18Å; S81-K83 PolarHBondContact O-N 3.37Å; K83-N87 WeakPolarHBondContact O-CB 3.47Å; K83-N87 PolarHBondContact O-N 2.88Å |
| 84 | L | 94.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -53.2 | 178.9 | -173 | 65.1 | 0 | 0 | 0 | 110.9 | S80 S81 L82 V86 N87 T88 L497 A500 T501 H504 | S80-L84 WeakPolarHBondContact O-CB 3.27Å; S80-L84 PolarHBondContact O-N 3.47Å; S81-L84 PolarHBondContact O-N 3.28Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.28Å; L84-V86 PolarHBondContact O-N 2.68Å; L84-N87 PolarHBondContact O-N 3.12Å; L84-N87 VanDerWaalsContact O-N 3.12Å; L84-T88 PolarHBondContact O-N 3.3Å; L84-T88 PolarHBondContact O-OG1 2.86Å; L84-L497 HydrophobicContact CD1-CD1 3.91Å; L84-A500 HydrophobicContact CD1-CB 4.17Å; L84-T501 HydrophobicContact CD1-CG2 3.72Å; L84-T501 HydrophobicContact CD2-CG2 4.18Å; L84-H504 HydrophobicContact CD2-CB 4.31Å |
| 85 | H | 94.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.2 | -48.1 | 178 | 171.7 | 67.9 | 0 | 0 | 0 | 112.5 | S81 N87 T88 H89 S99 Q100 R103 | S81-H85 WeakPolarHBondContact O-CB 3.33Å; S81-H85 PolarHBondContact O-N 3.34Å; H85-N87 PolarHBondContact O-N 3.41Å; H85-T88 WeakPolarHBondContact CA-OG1 3.32Å; H85-T88 PolarHBondContact O-N 2.98Å; H85-T88 PolarHBondContact O-OG1 2.94Å; H85-H89 WeakPolarHBondContact O-CB 3.46Å; H85-H89 PolarHBondContact O-N 3.26Å; H85-S99 WeakPolarHBondContact CA-OG 3.47Å; H85-Q100 WeakPolarHBondContact ND1-CA 3.14Å; H85-Q100 WeakPolarHBondContact ND1-CB 3.27Å; H85-R103 PolarHBondContact NE2-NH1 2.99Å |
| 86 | V | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | 175.8 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | V24 S26 L27 L82 L84 T88 Q90 | V24-V86 HydrophobicContact CG1-CG2 4.1Å; V24-V86 VanDerWaalsContact O-CG2 3.3Å; V24-V86 WeakPolarHBondContact O-CG2 3.45Å; S26-V86 VanDerWaalsContact C-CG1 3.41Å; L27-V86 HydrophobicContact CD2-CG1 4.31Å; L27-V86 HydrophobicContact CG-CG1 4.05Å; L82-V86 WeakPolarHBondContact O-CB 3.38Å; L82-V86 WeakPolarHBondContact O-CG2 3.42Å; L82-V86 PolarHBondContact O-N 2.72Å; L84-V86 PolarHBondContact O-N 2.68Å; V86-T88 PolarHBondContact O-N 3.41Å; V86-Q90 WeakPolarHBondContact O-CB 3.46Å; V86-Q90 PolarHBondContact O-N 3.31Å |
| 87 | N | 93 | Very high | 92.5 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 179.8 | -171.9 | 52.1 | 0 | 0 | 0 | 112.2 | K83 L84 H85 N91 G493 | K83-N87 WeakPolarHBondContact O-CB 3.47Å; K83-N87 PolarHBondContact O-N 2.88Å; L84-N87 PolarHBondContact O-N 3.12Å; L84-N87 VanDerWaalsContact O-N 3.12Å; H85-N87 PolarHBondContact O-N 3.41Å; N87-N91 WeakPolarHBondContact O-CB 3.47Å; N87-N91 PolarHBondContact O-N 3.34Å; N87-N91 PolarHBondContact O-ND2 3.47Å; N87-N91 PolarHBondContact OD1-ND2 3.21Å; N87-N91 VanDerWaalsContact OD1-ND2 3.14Å; N87-G493 PolarHBondContact ND2-O 3.03Å |
| 88 | T | 92.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.6 | -43 | 179.4 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | L84 H85 V86 H92 L93 A96 S99 L497 | L84-T88 PolarHBondContact O-N 3.3Å; L84-T88 PolarHBondContact O-OG1 2.86Å; H85-T88 WeakPolarHBondContact CA-OG1 3.32Å; H85-T88 PolarHBondContact O-N 2.98Å; H85-T88 PolarHBondContact O-OG1 2.94Å; V86-T88 PolarHBondContact O-N 3.41Å; T88-H92 CarbonylContact O-C 3.51Å; T88-H92 WeakPolarHBondContact O-CA 3.3Å; T88-H92 PolarHBondContact O-N 3.41Å; T88-L93 HydrophobicContact CG2-CB 4.28Å; T88-L93 PolarHBondContact O-N 3.03Å; T88-A96 WeakPolarHBondContact OG1-CA 3.38Å; T88-S99 PolarHBondContact OG1-OG 3.17Å; T88-S99 VanDerWaalsContact OG1-OG 3.13Å; T88-L497 HydrophobicContact CG2-CD1 3.63Å |
| 89 | H | 90.8 | Very high | 92.2 | Very high | 104 Ų | 104 | 39.1 Ų | 39.1 | 48% | 0.481 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.9 | -46.1 | -178.6 | -175.8 | -81.1 | 0 | 0 | 0 | 111.8 | H85 N91 H92 | H85-H89 WeakPolarHBondContact O-CB 3.46Å; H85-H89 PolarHBondContact O-N 3.26Å; H89-N91 VanDerWaalsContact C-N 3.3Å; H89-N91 PolarHBondContact O-N 2.91Å; H89-H92 PolarHBondContact O-N 2.74Å |
| 90 | Q | 89.8 | Confident | 92 | Very high | 91 Ų | 91 | 40.7 Ų | 40.7 | 43% | 0.425 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66 | -30.3 | -177.3 | -172.1 | -179.8 | -13.7 | 0 | 0 | 112.9 | V86 | V86-Q90 WeakPolarHBondContact O-CB 3.46Å; V86-Q90 PolarHBondContact O-N 3.31Å |
| 91 | N | 89.4 | Confident | 91.7 | Very high | 43 Ų | 43 | 41 Ų | 41 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 6.9 | -178.7 | -57.6 | -72.4 | 0 | 0 | 0 | 113.9 | N87 H89 L93 P492 | N87-N91 WeakPolarHBondContact O-CB 3.47Å; N87-N91 PolarHBondContact O-N 3.34Å; N87-N91 PolarHBondContact O-ND2 3.47Å; N87-N91 PolarHBondContact OD1-ND2 3.21Å; N87-N91 VanDerWaalsContact OD1-ND2 3.14Å; H89-N91 VanDerWaalsContact C-N 3.3Å; H89-N91 PolarHBondContact O-N 2.91Å; N91-L93 VanDerWaalsContact C-N 3.26Å; N91-L93 HydrophobicContact CB-CD1 3.9Å; N91-L93 HydrophobicContact CB-CG 3.87Å; N91-L93 PolarHBondContact O-N 3.19Å; N91-P492 VanDerWaalsContact CB-O 3.24Å; N91-P492 WeakPolarHBondContact CB-O 3.38Å |
| 92 | H | 89.1 | Confident | 91.6 | Very high | 168 Ų | 168 | 41 Ų | 41 | 78% | 0.778 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 34.2 | -177.1 | -53 | -56.1 | 0 | 0 | 0 | 115 | T88 H89 | T88-H92 CarbonylContact O-C 3.51Å; T88-H92 WeakPolarHBondContact O-CA 3.3Å; T88-H92 PolarHBondContact O-N 3.41Å; H89-H92 PolarHBondContact O-N 2.74Å |
| 93 | L | 90.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -81.1 | 152.5 | 178.3 | -56.3 | 163.8 | 0 | 0 | 0 | 110.8 | T88 N91 L488 Q491 L497 | T88-L93 HydrophobicContact CG2-CB 4.28Å; T88-L93 PolarHBondContact O-N 3.03Å; N91-L93 VanDerWaalsContact C-N 3.26Å; N91-L93 HydrophobicContact CB-CD1 3.9Å; N91-L93 HydrophobicContact CB-CG 3.87Å; N91-L93 PolarHBondContact O-N 3.19Å; L93-L488 HydrophobicContact CD2-CD2 4.44Å; L93-Q491 HydrophobicContact CD2-CB 3.98Å; L93-L497 HydrophobicContact CB-CD2 4.01Å; L93-L497 HydrophobicContact CD1-CD1 4.35Å; L93-L497 HydrophobicContact CD1-CD2 4.19Å | ||
| 94 | P | 88.8 | Confident | 91.3 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 32% | 0.318 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 158.4 | 176.2 | 31.9 | -37.7 | 0 | 0 | 0 | 111.7 | L482 L488 | P94-L482 HydrophobicContact CB-CB 4.23Å; P94-L488 HydrophobicContact CG-CD1 3.72Å; P94-L488 HydrophobicContact CG-CD2 4Å |
| 95 | G | 86.8 | Confident | 91.1 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 5.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A97 E98 S99 | G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 3.2Å; G95-E98 WeakPolarHBondContact CA-OE2 3.3Å; G95-S99 WeakPolarHBondContact O-CB 3.37Å; G95-S99 PolarHBondContact O-N 2.71Å; G95-S99 PolarHBondContact O-OG 3.22Å |
| 96 | A | 90.4 | Very high | 91.1 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 24% | 0.24 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -33.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T88 S99 Q100 | T88-A96 WeakPolarHBondContact OG1-CA 3.38Å; A96-S99 WeakPolarHBondContact CA-OG 3.14Å; A96-S99 PolarHBondContact O-OG 3.3Å; A96-Q100 WeakPolarHBondContact O-CB 3.37Å; A96-Q100 PolarHBondContact O-N 3.47Å; A96-Q100 VanDerWaalsContact O-N 3.11Å |
| 97 | A | 89.6 | Confident | 91 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 57% | 0.57 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -77.7 | -43.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G95 Q100 A101 | G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 3.2Å; A97-Q100 PolarHBondContact O-N 3.33Å; A97-A101 WeakPolarHBondContact O-CB 3.17Å; A97-A101 PolarHBondContact O-N 3.44Å |
| 98 | E | 92.9 | Very high | 90.6 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 174.8 | -70.3 | 77.3 | -178.8 | 0 | 0 | 111.4 | G95 A101 N102 L475 R478 A479 L482 | G95-E98 WeakPolarHBondContact CA-OE2 3.3Å; E98-A101 PolarHBondContact O-N 3.37Å; E98-N102 PolarHBondContact O-N 3.37Å; E98-N102 PolarHBondContact O-OD1 3.29Å; E98-L475 HydrophobicContact CB-CB 4.3Å; E98-L475 WeakPolarHBondContact CB-O 3.39Å; E98-L475 HydrophobicContact CG-CB 4.42Å; E98-L475 HydrophobicContact CG-CD2 4.08Å; E98-R478 HydrophobicContact CG-CB 4.13Å; E98-R478 HydrophobicContact CG-CG 4.11Å; E98-R478 VanDerWaalsContact OE1-CD 3.27Å; E98-R478 WeakPolarHBondContact OE1-CD 3.41Å; E98-A479 HydrophobicContact CB-CB 4.06Å; E98-L482 WeakPolarHBondContact OE1-CD1 3.36Å |
| 99 | S | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.9 | -31.1 | 177.9 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | H85 T88 G95 A96 R103 | H85-S99 WeakPolarHBondContact CA-OG 3.47Å; T88-S99 PolarHBondContact OG1-OG 3.17Å; T88-S99 VanDerWaalsContact OG1-OG 3.13Å; G95-S99 WeakPolarHBondContact O-CB 3.37Å; G95-S99 PolarHBondContact O-N 2.71Å; G95-S99 PolarHBondContact O-OG 3.22Å; A96-S99 WeakPolarHBondContact CA-OG 3.14Å; A96-S99 PolarHBondContact O-OG 3.3Å; S99-R103 WeakPolarHBondContact O-CB 3.24Å; S99-R103 PolarHBondContact O-N 3.15Å |
| 100 | Q | 91.3 | Very high | 90.5 | Very high | 77 Ų | 77 | 31.8 Ų | 31.8 | 36% | 0.36 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64 | -46.5 | 169 | -175.5 | 176.4 | -19.2 | 0 | 0 | 111.4 | H85 A96 A97 N102 R103 D104 | H85-Q100 WeakPolarHBondContact ND1-CA 3.14Å; H85-Q100 WeakPolarHBondContact ND1-CB 3.27Å; A96-Q100 WeakPolarHBondContact O-CB 3.37Å; A96-Q100 PolarHBondContact O-N 3.47Å; A96-Q100 VanDerWaalsContact O-N 3.11Å; A97-Q100 PolarHBondContact O-N 3.33Å; Q100-N102 VanDerWaalsContact C-N 3.33Å; Q100-N102 PolarHBondContact O-N 2.91Å; Q100-R103 WeakPolarHBondContact O-CB 3.3Å; Q100-R103 PolarHBondContact O-N 2.95Å; Q100-R103 VanDerWaalsContact O-N 3.16Å; Q100-D104 WeakPolarHBondContact CG-OD2 3.46Å; Q100-D104 PolarHBondContact O-N 2.88Å |
| 101 | A | 90.6 | Very high | 90.5 | Very high | 32 Ų | 32 | 28 Ų | 28 | 26% | 0.264 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | A97 E98 D104 F105 Q472 L475 | A97-A101 WeakPolarHBondContact O-CB 3.17Å; A97-A101 PolarHBondContact O-N 3.44Å; E98-A101 PolarHBondContact O-N 3.37Å; A101-D104 PolarHBondContact O-N 3.32Å; A101-F105 WeakPolarHBondContact O-CB 3.42Å; A101-F105 PolarHBondContact O-N 3.2Å; A101-Q472 PolarHBondContact O-OE1 3.19Å; A101-L475 HydrophobicContact CB-CD1 3.76Å |
| 102 | N | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 172.1 | -66.3 | 156.7 | 0 | 0 | 0 | 111.9 | S81 E98 Q100 F105 L106 Q472 A476 | S81-N102 VanDerWaalsContact OG-CB 3.25Å; S81-N102 WeakPolarHBondContact OG-CB 3.42Å; E98-N102 PolarHBondContact O-N 3.37Å; E98-N102 PolarHBondContact O-OD1 3.29Å; Q100-N102 VanDerWaalsContact C-N 3.33Å; Q100-N102 PolarHBondContact O-N 2.91Å; N102-F105 PolarHBondContact O-N 3.38Å; N102-L106 WeakPolarHBondContact O-CB 3.48Å; N102-L106 WeakPolarHBondContact O-CD1 3.35Å; N102-L106 VanDerWaalsContact O-CG 3.32Å; N102-L106 WeakPolarHBondContact O-CG 3.48Å; N102-L106 PolarHBondContact O-N 2.98Å; N102-Q472 PolarHBondContact ND2-O 3.39Å; N102-Q472 PolarHBondContact ND2-OE1 3.47Å; N102-A476 PolarHBondContact OD1-N 3.46Å |
| 103 | R | 93.3 | Very high | 90.1 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.3 | -52.1 | 175.3 | -178.8 | -151.8 | 82.8 | 172.5 | 11.4 | 111.5 | S81 L82 H85 S99 Q100 F105 L106 L107 | S81-R103 PolarHBondContact OG-N 2.94Å; L82-R103 HydrophobicContact CD2-CG 3.64Å; L82-R103 HydrophobicContact CG-CG 4.16Å; H85-R103 PolarHBondContact NE2-NH1 2.99Å; S99-R103 WeakPolarHBondContact O-CB 3.24Å; S99-R103 PolarHBondContact O-N 3.15Å; Q100-R103 WeakPolarHBondContact O-CB 3.3Å; Q100-R103 PolarHBondContact O-N 2.95Å; Q100-R103 VanDerWaalsContact O-N 3.16Å; R103-F105 VanDerWaalsContact C-N 3.34Å; R103-F105 PolarHBondContact O-N 3Å; R103-L106 PolarHBondContact O-N 3.07Å; R103-L107 HydrophobicContact CG-CD1 3.93Å; R103-L107 WeakPolarHBondContact O-CB 3.48Å; R103-L107 VanDerWaalsContact O-CG 3.26Å; R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 3.05Å |
| 104 | D | 89 | Confident | 90.2 | Very high | 19 Ų | 19 | 19.1 Ų | 19.1 | 10% | 0.102 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.7 | -32.9 | -177.2 | -75.1 | -41.7 | 0 | 0 | 0 | 112.6 | Q100 A101 S108 T167 | Q100-D104 WeakPolarHBondContact CG-OD2 3.46Å; Q100-D104 PolarHBondContact O-N 2.88Å; A101-D104 PolarHBondContact O-N 3.32Å; D104-S108 WeakPolarHBondContact O-CB 3.22Å; D104-S108 PolarHBondContact O-N 2.83Å; D104-T167 HydrophobicContact CB-CG2 4.35Å; D104-T167 PolarHBondContact OD1-OG1 3.43Å |
| 105 | F | 91.2 | Very high | 90 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.2 | -56.5 | 169 | 174 | -101 | 0 | 0 | 0 | 111.9 | A101 N102 R103 L107 S108 E109 E468 L469 Q472 | A101-F105 WeakPolarHBondContact O-CB 3.42Å; A101-F105 PolarHBondContact O-N 3.2Å; N102-F105 PolarHBondContact O-N 3.38Å; R103-F105 VanDerWaalsContact C-N 3.34Å; R103-F105 PolarHBondContact O-N 3Å; F105-L107 VanDerWaalsContact C-N 3.3Å; F105-L107 PolarHBondContact O-N 2.93Å; F105-S108 CarbonylContact O-C 3.17Å; F105-S108 PolarHBondContact O-N 3.35Å; F105-E109 HydrophobicContact CE1-CB 4.46Å; F105-E109 WeakPolarHBondContact CE1-OE2 3.42Å; F105-E109 HydrophobicContact CZ-CB 4.46Å; F105-E109 HydrophobicContact CZ-CG 4.41Å; F105-E109 WeakPolarHBondContact CZ-OE1 3.44Å; F105-E109 WeakPolarHBondContact O-CB 3.41Å; F105-E109 PolarHBondContact O-N 3.5Å; F105-E468 HydrophobicContact CD2-CG 3.82Å; F105-E468 HydrophobicContact CE2-CB 4.08Å; F105-E468 HydrophobicContact CE2-CG 3.67Å; F105-L469 HydrophobicContact CE1-CD1 3.85Å; F105-L469 HydrophobicContact CZ-CB 4.12Å; F105-L469 HydrophobicContact CZ-CD1 4.15Å; F105-Q472 VanDerWaalsContact CB-CD 3.48Å; F105-Q472 HydrophobicContact CB-CG 3.84Å; F105-Q472 HydrophobicContact CD1-CB 4.2Å; F105-Q472 HydrophobicContact CD1-CG 3.76Å; F105-Q472 HydrophobicContact CD2-CG 3.78Å; F105-Q472 HydrophobicContact CE1-CG 4.27Å; F105-Q472 HydrophobicContact CE2-CG 4.28Å; F105-Q472 HydrophobicContact CG-CB 4.42Å; F105-Q472 HydrophobicContact CG-CG 3.5Å |
| 106 | L | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.2 | -33.5 | -175.4 | -69.7 | 162.6 | 0 | 0 | 0 | 112.6 | L74 I77 L78 N102 R103 M110 M508 | L74-L106 HydrophobicContact CD2-CD2 4.17Å; I77-L106 HydrophobicContact CB-CD2 4.27Å; I77-L106 HydrophobicContact CG2-CD1 3.78Å; I77-L106 HydrophobicContact CG2-CD2 3.81Å; I77-L106 HydrophobicContact CG2-CG 4.48Å; L78-L106 HydrophobicContact CB-CB 4.28Å; L78-L106 HydrophobicContact CD1-CB 3.95Å; N102-L106 WeakPolarHBondContact O-CB 3.48Å; N102-L106 WeakPolarHBondContact O-CD1 3.35Å; N102-L106 VanDerWaalsContact O-CG 3.32Å; N102-L106 WeakPolarHBondContact O-CG 3.48Å; N102-L106 PolarHBondContact O-N 2.98Å; R103-L106 PolarHBondContact O-N 3.07Å; L106-M110 WeakPolarHBondContact O-CB 3.28Å; L106-M110 PolarHBondContact O-N 3.01Å; L106-M508 HydrophobicContact CD1-SD 4.21Å; L106-M508 HydrophobicContact CD2-SD 4.29Å |
| 107 | L | 91.5 | Very high | 89.8 | Confident | 8 Ų | 8 | 16.9 Ų | 16.9 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 171.1 | -76.1 | 170.5 | 0 | 0 | 0 | 111.7 | L18 A21 L78 R103 F105 S111 | L18-L107 HydrophobicContact CD2-CD2 4.16Å; A21-L107 HydrophobicContact CB-CD1 3.7Å; A21-L107 HydrophobicContact CB-CD2 3.45Å; A21-L107 VanDerWaalsContact CB-CD2 3.45Å; A21-L107 HydrophobicContact CB-CG 4.22Å; L78-L107 HydrophobicContact CD1-CD2 3.71Å; L78-L107 HydrophobicContact CD1-CG 3.76Å; L78-L107 HydrophobicContact CD2-CD2 4.07Å; L78-L107 HydrophobicContact CG-CD2 4.49Å; R103-L107 HydrophobicContact CG-CD1 3.93Å; R103-L107 WeakPolarHBondContact O-CB 3.48Å; R103-L107 VanDerWaalsContact O-CG 3.26Å; R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 3.05Å; F105-L107 VanDerWaalsContact C-N 3.3Å; F105-L107 PolarHBondContact O-N 2.93Å; L107-S111 VanDerWaalsContact O-CB 3.25Å; L107-S111 WeakPolarHBondContact O-CB 3.46Å; L107-S111 PolarHBondContact O-N 2.95Å; L107-S111 PolarHBondContact O-OG 2.63Å |
| 108 | S | 86.3 | Confident | 89.7 | Confident | 8 Ų | 8 | 13.7 Ų | 13.7 | 6% | 0.056 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -73.2 | -34.6 | 179 | -174.8 | 0 | 0 | 0 | 0 | 113.2 | D104 F105 S111 S112 K171 | D104-S108 WeakPolarHBondContact O-CB 3.22Å; D104-S108 PolarHBondContact O-N 2.83Å; F105-S108 CarbonylContact O-C 3.17Å; F105-S108 PolarHBondContact O-N 3.35Å; S108-S111 PolarHBondContact O-N 3.32Å; S108-S112 WeakPolarHBondContact O-CB 3.28Å; S108-S112 PolarHBondContact O-N 3.28Å; S108-K171 VanDerWaalsContact CB-CD 3.44Å; S108-K171 WeakPolarHBondContact OG-CB 3.49Å; S108-K171 WeakPolarHBondContact OG-CD 3.32Å |
| 109 | E | 88.3 | Confident | 89.3 | Confident | 20 Ų | 20 | 13.1 Ų | 13.1 | 9% | 0.093 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.3 | -50.8 | 178.6 | -169.9 | 174.4 | -138.7 | 0 | 0 | 110.1 | L74 F105 S111 S112 E113 H511 | L74-E109 HydrophobicContact CD1-CB 4.49Å; L74-E109 HydrophobicContact CD1-CG 3.96Å; L74-E109 HydrophobicContact CD2-CG 4.21Å; L74-E109 WeakPolarHBondContact CD2-OE2 3.35Å; F105-E109 HydrophobicContact CE1-CB 4.46Å; F105-E109 WeakPolarHBondContact CE1-OE2 3.42Å; F105-E109 HydrophobicContact CZ-CB 4.46Å; F105-E109 HydrophobicContact CZ-CG 4.41Å; F105-E109 WeakPolarHBondContact CZ-OE1 3.44Å; F105-E109 WeakPolarHBondContact O-CB 3.41Å; F105-E109 PolarHBondContact O-N 3.5Å; E109-S111 VanDerWaalsContact C-N 3.28Å; E109-S111 PolarHBondContact O-N 3.27Å; E109-S112 PolarHBondContact O-N 3.18Å; E109-S112 VanDerWaalsContact O-N 3.09Å; E109-E113 PolarHBondContact O-N 2.73Å; E109-H511 IonicContact OE1-CE1 2.99Å; E109-H511 PolarHBondContact OE1-CE1 3.34Å; E109-H511 IonicContact OE2-CE1 2.9Å; E109-H511 PolarHBondContact OE2-CE1 3.08Å; E109-H511 VanDerWaalsContact OE2-CE1 3.31Å |
| 110 | M | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -53.9 | -44.6 | 170.5 | 179.8 | 70.1 | 79.3 | 0 | 0 | 111.7 | L18 M41 V71 L74 T75 L78 L106 E113 I114 | L18-M110 HydrophobicContact CD1-CB 4.45Å; L18-M110 HydrophobicContact CD1-CG 3.6Å; L18-M110 HydrophobicContact CD2-CG 4.16Å; M41-M110 HydrophobicContact CE-CE 3.92Å; M41-M110 HydrophobicContact CE-CG 4.45Å; M41-M110 HydrophobicContact CE-SD 3.82Å; M41-M110 HydrophobicContact SD-CE 4.49Å; V71-M110 HydrophobicContact CB-SD 4.18Å; V71-M110 HydrophobicContact CG1-SD 3.9Å; V71-M110 HydrophobicContact CG2-SD 4.04Å; L74-M110 HydrophobicContact CB-CE 3.55Å; L74-M110 HydrophobicContact CB-SD 4.33Å; L74-M110 HydrophobicContact CD1-CB 4.48Å; T75-M110 WeakPolarHBondContact OG1-CE 3.3Å; L78-M110 HydrophobicContact CD2-CE 4.3Å; L78-M110 HydrophobicContact CD2-CG 4.46Å; L106-M110 WeakPolarHBondContact O-CB 3.28Å; L106-M110 PolarHBondContact O-N 3.01Å; M110-E113 PolarHBondContact O-N 2.72Å; M110-I114 HydrophobicContact CG-CD1 4.14Å; M110-I114 WeakPolarHBondContact O-CG1 3.32Å; M110-I114 PolarHBondContact O-N 2.96Å; M110-I114 VanDerWaalsContact O-N 3.13Å; M110-I114 HydrophobicContact SD-CD1 4.4Å |
| 111 | S | 89.5 | Confident | 88.5 | Confident | 13 Ų | 13 | 9.9 Ų | 9.9 | 9% | 0.091 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 178.2 | -61 | 0 | 0 | 0 | 0 | 112.2 | L107 S108 E109 I114 H115 | L107-S111 VanDerWaalsContact O-CB 3.25Å; L107-S111 WeakPolarHBondContact O-CB 3.46Å; L107-S111 PolarHBondContact O-N 2.95Å; L107-S111 PolarHBondContact O-OG 2.63Å; S108-S111 PolarHBondContact O-N 3.32Å; E109-S111 VanDerWaalsContact C-N 3.28Å; E109-S111 PolarHBondContact O-N 3.27Å; S111-I114 PolarHBondContact O-N 3.12Å; S111-H115 PolarHBondContact O-N 2.83Å; S111-H115 PolarHBondContact O-ND1 3.31Å |
| 112 | S | 82.9 | Confident | 88.2 | Confident | 22 Ų | 22 | 12 Ų | 12 | 15% | 0.154 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 177.7 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | S108 E109 I114 H115 E116 R149 | S108-S112 WeakPolarHBondContact O-CB 3.28Å; S108-S112 PolarHBondContact O-N 3.28Å; E109-S112 PolarHBondContact O-N 3.18Å; E109-S112 VanDerWaalsContact O-N 3.09Å; S112-I114 VanDerWaalsContact C-N 3.33Å; S112-I114 PolarHBondContact O-N 3.5Å; S112-H115 PolarHBondContact O-N 2.62Å; S112-H115 VanDerWaalsContact O-N 3.13Å; S112-E116 PolarHBondContact O-N 3.39Å; S112-R149 PolarHBondContact OG-NH2 3.28Å |
| 113 | E | 88.1 | Confident | 87.3 | Confident | 6 Ų | 6 | 13.5 Ų | 13.5 | 3% | 0.028 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.4 | -35.7 | 176 | -72.6 | -66.9 | 170.9 | 0 | 0 | 112.3 | R66 Q70 V71 L74 E109 M110 E116 I117 | R66-E113 IonicContact CZ-OE1 3.71Å; R66-E113 IonicContact CZ-OE2 2.6Å; R66-E113 VanDerWaalsContact CZ-OE2 3.27Å; R66-E113 VanDerWaalsContact NH1-CD 3.32Å; R66-E113 IonicContact NH1-OE1 3.43Å; R66-E113 PolarHBondContact NH1-OE1 3.07Å; R66-E113 IonicContact NH1-OE2 2.67Å; R66-E113 PolarHBondContact NH1-OE2 2.73Å; R66-E113 VanDerWaalsContact NH1-OE2 3.07Å; R66-E113 IonicContact NH2-OE1 2.67Å; R66-E113 IonicContact NH2-OE2 2.64Å; R66-E113 PolarHBondContact NH2-OE2 3.11Å; Q70-E113 HydrophobicContact CB-CB 4.38Å; Q70-E113 HydrophobicContact CB-CG 3.8Å; Q70-E113 HydrophobicContact CG-CG 4.31Å; V71-E113 HydrophobicContact CG2-CB 4.47Å; L74-E113 HydrophobicContact CD1-CG 4.33Å; E109-E113 PolarHBondContact O-N 2.73Å; M110-E113 PolarHBondContact O-N 2.72Å; E113-E116 PolarHBondContact O-N 3.37Å; E113-I117 WeakPolarHBondContact O-CG1 3.16Å; E113-I117 PolarHBondContact O-N 2.7Å |
| 114 | I | 92.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.2 | -33.7 | 172.5 | -62.7 | 163.4 | 0 | 0 | 0 | 111.7 | C11 V14 L15 L18 M44 V71 M110 S111 S112 I117 I118 | C11-I114 HydrophobicContact CB-CG2 3.87Å; V14-I114 HydrophobicContact CB-CD1 4.23Å; V14-I114 HydrophobicContact CG1-CD1 3.57Å; L15-I114 HydrophobicContact CD1-CG2 4.03Å; L15-I114 HydrophobicContact CD2-CB 4.07Å; L15-I114 HydrophobicContact CD2-CD1 4.41Å; L15-I114 HydrophobicContact CD2-CG2 4.08Å; L15-I114 HydrophobicContact CG-CB 4.33Å; L15-I114 HydrophobicContact CG-CG2 3.78Å; L18-I114 HydrophobicContact CD1-CD1 3.65Å; M44-I114 HydrophobicContact CE-CD1 4.41Å; M44-I114 HydrophobicContact CE-CG1 4.05Å; M44-I114 HydrophobicContact SD-CD1 4.45Å; M44-I114 HydrophobicContact SD-CG1 4.18Å; M44-I114 HydrophobicContact SD-CG2 4.02Å; V71-I114 HydrophobicContact CG2-CG1 4Å; M110-I114 HydrophobicContact CG-CD1 4.14Å; M110-I114 WeakPolarHBondContact O-CG1 3.32Å; M110-I114 PolarHBondContact O-N 2.96Å; M110-I114 VanDerWaalsContact O-N 3.13Å; M110-I114 HydrophobicContact SD-CD1 4.4Å; S111-I114 PolarHBondContact O-N 3.12Å; S112-I114 VanDerWaalsContact C-N 3.33Å; S112-I114 PolarHBondContact O-N 3.5Å; I114-I117 PolarHBondContact O-N 2.66Å; I114-I118 HydrophobicContact CG2-CD1 4.35Å; I114-I118 VanDerWaalsContact O-CG1 3.32Å; I114-I118 WeakPolarHBondContact O-CG1 3.31Å; I114-I118 PolarHBondContact O-N 2.87Å |
| 115 | H | 84.5 | Confident | 84.6 | Confident | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.028 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.8 | -32.1 | 171.8 | -74.1 | 102.1 | 0 | 0 | 0 | 112.7 | S111 S112 I118 R119 S148 R149 | S111-H115 PolarHBondContact O-N 2.83Å; S111-H115 PolarHBondContact O-ND1 3.31Å; S112-H115 PolarHBondContact O-N 2.62Å; S112-H115 VanDerWaalsContact O-N 3.13Å; H115-I118 PolarHBondContact O-N 3.2Å; H115-R119 WeakPolarHBondContact O-CB 3.5Å; H115-R119 PolarHBondContact O-N 3.3Å; H115-S148 PolarHBondContact CD2-O 2.87Å; H115-S148 VanDerWaalsContact CD2-O 3.3Å; H115-S148 PolarHBondContact O-OG 2.83Å; H115-R149 HydrophobicContact CB-CG 4.02Å |
| 116 | E | 82.3 | Confident | 82.5 | Confident | 28 Ų | 28 | 23.6 Ų | 23.6 | 13% | 0.131 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.4 | -35.9 | 171.6 | -73.9 | -61.6 | 110.5 | 0 | 0 | 112.4 | S112 E113 R119 G120 | S112-E116 PolarHBondContact O-N 3.39Å; E113-E116 PolarHBondContact O-N 3.37Å; E116-R119 VanDerWaalsContact CD-NE 3.32Å; E116-R119 WeakPolarHBondContact O-CB 3.49Å; E116-R119 PolarHBondContact O-N 3.16Å; E116-R119 IonicContact OE1-NE 3.93Å; E116-R119 PolarHBondContact OE1-NE 3.49Å; E116-R119 VanDerWaalsContact OE1-NE 3.17Å; E116-R119 IonicContact OE2-CZ 2.85Å; E116-R119 IonicContact OE2-NE 2.72Å; E116-R119 PolarHBondContact OE2-NE 3.36Å; E116-R119 IonicContact OE2-NH2 2.71Å; E116-R119 PolarHBondContact OE2-NH2 3.1Å; E116-G120 PolarHBondContact O-N 2.88Å |
| 117 | I | 90.6 | Very high | 80 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 168.3 | -71 | 168.5 | 0 | 0 | 0 | 110.4 | M44 V48 L64 V71 E113 I114 R119 G120 L121 | M44-I117 HydrophobicContact CE-CD1 4.42Å; V48-I117 HydrophobicContact CB-CG2 4.5Å; V48-I117 HydrophobicContact CG1-CG2 3.95Å; V48-I117 HydrophobicContact CG2-CG2 3.66Å; L64-I117 HydrophobicContact CD2-CG2 4.27Å; L64-I117 WeakPolarHBondContact CD2-O 3.48Å; V71-I117 HydrophobicContact CG2-CD1 3.98Å; E113-I117 WeakPolarHBondContact O-CG1 3.16Å; E113-I117 PolarHBondContact O-N 2.7Å; I114-I117 PolarHBondContact O-N 2.66Å; I117-R119 VanDerWaalsContact C-N 3.29Å; I117-R119 PolarHBondContact O-N 3.11Å; I117-G120 PolarHBondContact O-N 3.47Å; I117-L121 HydrophobicContact CG2-CD1 3.94Å; I117-L121 HydrophobicContact CG2-CG 4.46Å; I117-L121 VanDerWaalsContact O-CG 3.27Å; I117-L121 WeakPolarHBondContact O-CG 3.46Å; I117-L121 PolarHBondContact O-N 2.97Å |
| 118 | I | 88.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 175.6 | -71.9 | 167.7 | 0 | 0 | 0 | 110.4 | I8 C11 R12 L15 I114 H115 L121 Q122 | I8-I118 HydrophobicContact CG1-CG2 4.41Å; I8-I118 HydrophobicContact CG2-CG2 4.4Å; C11-I118 HydrophobicContact CB-CD1 3.67Å; C11-I118 HydrophobicContact CB-CG1 3.49Å; C11-I118 VanDerWaalsContact CB-CG1 3.49Å; R12-I118 HydrophobicContact CG-CD1 4.37Å; L15-I118 HydrophobicContact CD1-CD1 3.86Å; I114-I118 HydrophobicContact CG2-CD1 4.35Å; I114-I118 VanDerWaalsContact O-CG1 3.32Å; I114-I118 WeakPolarHBondContact O-CG1 3.31Å; I114-I118 PolarHBondContact O-N 2.87Å; H115-I118 PolarHBondContact O-N 3.2Å; I118-L121 PolarHBondContact O-N 3.35Å; I118-Q122 WeakPolarHBondContact O-CG 3.3Å; I118-Q122 PolarHBondContact O-N 2.84Å |
| 119 | R | 83.5 | Confident | 75.4 | Confident | 18 Ų | 18 | 26 Ų | 26 | 7% | 0.068 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.5 | -53.1 | 175.1 | -173.2 | 176.4 | 72.6 | 85.6 | -13.3 | 111.4 | H115 E116 I117 L121 Q122 L123 M141 A144 | H115-R119 WeakPolarHBondContact O-CB 3.5Å; H115-R119 PolarHBondContact O-N 3.3Å; E116-R119 VanDerWaalsContact CD-NE 3.32Å; E116-R119 WeakPolarHBondContact O-CB 3.49Å; E116-R119 PolarHBondContact O-N 3.16Å; E116-R119 IonicContact OE1-NE 3.93Å; E116-R119 PolarHBondContact OE1-NE 3.49Å; E116-R119 VanDerWaalsContact OE1-NE 3.17Å; E116-R119 IonicContact OE2-CZ 2.85Å; E116-R119 IonicContact OE2-NE 2.72Å; E116-R119 PolarHBondContact OE2-NE 3.36Å; E116-R119 IonicContact OE2-NH2 2.71Å; E116-R119 PolarHBondContact OE2-NH2 3.1Å; I117-R119 VanDerWaalsContact C-N 3.29Å; I117-R119 PolarHBondContact O-N 3.11Å; R119-L121 VanDerWaalsContact C-N 3.31Å; R119-L121 PolarHBondContact O-N 2.78Å; R119-Q122 WeakPolarHBondContact O-CA 3.41Å; R119-Q122 WeakPolarHBondContact O-CB 3.46Å; R119-Q122 PolarHBondContact O-N 2.96Å; R119-L123 PolarHBondContact O-N 2.93Å; R119-M141 WeakPolarHBondContact CD-O 3.47Å; R119-M141 VanDerWaalsContact NH1-CG 3.3Å; R119-M141 PolarHBondContact NH1-SD 3.45Å; R119-A144 HydrophobicContact CG-CB 3.67Å |
| 120 | G | 81.2 | Confident | 73.2 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57 | -40.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E116 I117 Q122 L123 | E116-G120 PolarHBondContact O-N 2.88Å; I117-G120 PolarHBondContact O-N 3.47Å; G120-Q122 PolarHBondContact O-N 3.37Å; G120-L123 PolarHBondContact O-N 2.8Å |
| 121 | L | 87.2 | Confident | 70.8 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.4 | -21.6 | 175.3 | -68.8 | 166.8 | 0 | 0 | 0 | 113.6 | V4 I7 I8 V48 R51 L64 I117 I118 R119 | V4-L121 HydrophobicContact CG1-CB 4.47Å; V4-L121 WeakPolarHBondContact CG1-O 3.27Å; I7-L121 HydrophobicContact CB-CD1 4.06Å; I7-L121 HydrophobicContact CB-CD2 4.4Å; I7-L121 HydrophobicContact CD1-CD2 4.02Å; I7-L121 HydrophobicContact CG2-CD1 3.48Å; I7-L121 VanDerWaalsContact CG2-CD1 3.48Å; I7-L121 HydrophobicContact CG2-CD2 4.01Å; I7-L121 HydrophobicContact CG2-CG 4.41Å; I8-L121 HydrophobicContact CD1-CB 4.5Å; I8-L121 HydrophobicContact CG1-CB 4.32Å; I8-L121 HydrophobicContact CG1-CD1 4.12Å; V48-L121 HydrophobicContact CG2-CD1 4.32Å; R51-L121 HydrophobicContact CB-CD2 4.41Å; R51-L121 HydrophobicContact CG-CD2 3.84Å; L64-L121 HydrophobicContact CD1-CD2 3.97Å; L64-L121 HydrophobicContact CD1-CG 4.49Å; L64-L121 HydrophobicContact CD2-CD2 4.37Å; L64-L121 HydrophobicContact CD2-CG 4.05Å; I117-L121 HydrophobicContact CG2-CD1 3.94Å; I117-L121 HydrophobicContact CG2-CG 4.46Å; I117-L121 VanDerWaalsContact O-CG 3.27Å; I117-L121 WeakPolarHBondContact O-CG 3.46Å; I117-L121 PolarHBondContact O-N 2.97Å; I118-L121 PolarHBondContact O-N 3.35Å; R119-L121 VanDerWaalsContact C-N 3.31Å; R119-L121 PolarHBondContact O-N 2.78Å |
| 122 | Q | 82.7 | Confident | 68.4 | Low | 75 Ų | 75 | 30.6 Ų | 30.6 | 35% | 0.35 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -93.5 | -8.4 | 179.4 | -70.8 | -176.9 | -103.4 | 0 | 0 | 113.9 | I8 I118 R119 G120 T124 | I8-Q122 HydrophobicContact CD1-CG 3.62Å; I118-Q122 WeakPolarHBondContact O-CG 3.3Å; I118-Q122 PolarHBondContact O-N 2.84Å; R119-Q122 WeakPolarHBondContact O-CA 3.41Å; R119-Q122 WeakPolarHBondContact O-CB 3.46Å; R119-Q122 PolarHBondContact O-N 2.96Å; G120-Q122 PolarHBondContact O-N 3.37Å; Q122-T124 PolarHBondContact O-N 3.47Å |
| 123 | L | 75.2 | Confident | 66.9 | Low | 32 Ų | 32 | 29.7 Ų | 29.7 | 17% | 0.168 | 16% | 0.157 | C | C | . | . | trans | -70 | 115.3 | 175.5 | -60.8 | 173.2 | 0 | 0 | 0 | 109.5 | H60 R119 G120 | H60-L123 WeakPolarHBondContact CD2-CD1 3.44Å; H60-L123 WeakPolarHBondContact NE2-CD1 3.48Å; R119-L123 PolarHBondContact O-N 2.93Å; G120-L123 PolarHBondContact O-N 2.8Å | ||
| 124 | T | 69.4 | Low | 65 | Low | 106 Ų | 106 | 30.7 Ų | 30.7 | 65% | 0.65 | 16% | 0.163 | S | C | * | . | trans | -118.2 | -9.5 | -177.2 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | Q122 | Q122-T124 PolarHBondContact O-N 3.47Š| ||
| 125 | E | 56.7 | Low | 63.2 | Low | 84 Ų | 84 | 31.9 Ų | 31.9 | 39% | 0.393 | 17% | 0.169 | S | C | . | . | trans | -79.1 | 152.1 | 179.4 | -74.5 | 154 | -129.8 | 0 | 0 | 111.3 | I57 H140 | I57-E125 WeakPolarHBondContact CD1-O 3.31Å; E125-H140 VanDerWaalsContact CD-ND1 3.26Å; E125-H140 IonicContact OE1-CE1 3.27Å; E125-H140 PolarHBondContact OE1-CE1 3.15Å; E125-H140 IonicContact OE1-CG 3.07Å; E125-H140 IonicContact OE1-ND1 2.68Å; E125-H140 PolarHBondContact OE1-ND1 2.99Å; E125-H140 IonicContact OE2-CE1 3.18Å; E125-H140 PolarHBondContact OE2-CE1 3.06Å; E125-H140 IonicContact OE2-CG 3.17Å; E125-H140 IonicContact OE2-ND1 2.81Å; E125-H140 PolarHBondContact OE2-ND1 3.37Å | ||
| 126 | T | 46.5 | Very low | 62 | Low | 57 Ų | 57 | 33.8 Ų | 33.8 | 35% | 0.35 | 18% | 0.18 | S | C | . | . | trans | -77.4 | 164.4 | 173.8 | 41.2 | 0 | 0 | 0 | 0 | 111.2 | S128 | T126-S128 PolarHBondContact O-N 2.83Å; T126-S128 PolarHBondContact O-OG 3.27Å; T126-S128 VanDerWaalsContact O-OG 3.1Å; T126-S128 PolarHBondContact OG1-OG 2.87Å | ||
| 127 | D | 42.4 | Very low | 60.8 | Low | 16 Ų | 16 | 33.2 Ų | 33.2 | 9% | 0.086 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -55 | -2.5 | 178.3 | -44.2 | 17.9 | 0 | 0 | 0 | 114.3 | I57 S129 E130 R1011 | I57-D127 WeakPolarHBondContact CG1-OD1 3.38Å; D127-S129 PolarHBondContact O-N 3.41Å; D127-S129 VanDerWaalsContact O-N 3.09Å; D127-E130 WeakPolarHBondContact CB-OE2 3.47Å; D127-E130 WeakPolarHBondContact O-CB 3.41Å; D127-E130 PolarHBondContact O-N 3.31Å; D127-R1011 HydrophobicContact CB-CG 4.01Å; D127-R1011 WeakPolarHBondContact OD2-CD 3.44Å; D127-R1011 WeakPolarHBondContact OD2-CG 3.38Å |
| 128 | S | 40 | Very low | 59.5 | Low | 37 Ų | 37 | 33.2 Ų | 33.2 | 26% | 0.259 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -59.7 | -6.8 | 172.5 | 47.1 | 0 | 0 | 0 | 0 | 116 | T126 N1051 | T126-S128 PolarHBondContact O-N 2.83Å; T126-S128 PolarHBondContact O-OG 3.27Å; T126-S128 VanDerWaalsContact O-OG 3.1Å; T126-S128 PolarHBondContact OG1-OG 2.87Å; S128-N1051 VanDerWaalsContact CA-CG 3.46Å; S128-N1051 WeakPolarHBondContact CA-ND2 3.49Å; S128-N1051 WeakPolarHBondContact CB-ND2 3.12Å; S128-N1051 PolarHBondContact O-ND2 2.95Å; S128-N1051 PolarHBondContact O-OD1 3.04Å |
| 129 | S | 41.2 | Very low | 58.7 | Low | 13 Ų | 13 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -102.5 | -20.8 | 168.7 | -126.5 | 0 | 0 | 0 | 0 | 112.4 | D127 L131 | D127-S129 PolarHBondContact O-N 3.41Å; D127-S129 VanDerWaalsContact O-N 3.09Å; S129-L131 PolarHBondContact O-N 3.03Å |
| 130 | E | 41.8 | Very low | 57.9 | Low | 51 Ų | 51 | 34.8 Ų | 34.8 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.7 | -164.1 | -65.6 | -170.1 | 136.1 | 0 | 0 | 115.3 | S59 D127 | S59-E130 VanDerWaalsContact CB-OE1 3.23Å; S59-E130 WeakPolarHBondContact CB-OE1 3.44Å; S59-E130 PolarHBondContact OG-OE1 3.31Å; D127-E130 WeakPolarHBondContact CB-OE2 3.47Å; D127-E130 WeakPolarHBondContact O-CB 3.41Å; D127-E130 PolarHBondContact O-N 3.31Å |
| 131 | L | 40.7 | Very low | 57.3 | Low | 37 Ų | 37 | 37.6 Ų | 37.6 | 19% | 0.194 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -20.5 | -171.8 | -158.9 | 68.7 | 0 | 0 | 0 | 115.9 | S129 E1058 | S129-L131 PolarHBondContact O-N 3.03Å; L131-E1058 WeakPolarHBondContact CD1-OE2 3.45Å; L131-E1058 WeakPolarHBondContact CD2-OE2 3.42Å |
| 132 | F | 39.4 | Very low | 56.8 | Low | 42 Ų | 42 | 38.4 Ų | 38.4 | 18% | 0.184 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -20.7 | -178.7 | -68.4 | -60.2 | 0 | 0 | 0 | 116.2 | P265 Q1054 | F132-P265 HydrophobicContact CB-CB 3.55Å; F132-P265 HydrophobicContact CB-CG 4.41Å; F132-P265 WeakPolarHBondContact O-CB 3.42Å; F132-Q1054 HydrophobicContact CE1-CB 4.03Å; F132-Q1054 HydrophobicContact CE1-CG 3.68Å; F132-Q1054 HydrophobicContact CE2-CB 3.58Å; F132-Q1054 HydrophobicContact CE2-CG 4.07Å; F132-Q1054 HydrophobicContact CZ-CB 3.3Å; F132-Q1054 VanDerWaalsContact CZ-CD 3.4Å; F132-Q1054 HydrophobicContact CZ-CG 3.23Å |
| 133 | D | 50.8 | Low | 56.8 | Low | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | trans | -122.7 | 58.8 | -175.9 | -145.5 | -31.5 | 0 | 0 | 0 | 110 | D135 L136 A137 P265 R268 | D133-D135 PolarHBondContact O-N 2.97Å; D133-D135 PolarHBondContact OD1-N 3.07Å; D133-L136 HydrophobicContact CB-CB 3.59Å; D133-L136 HydrophobicContact CB-CD2 4.49Å; D133-L136 CarbonylContact O-C 3.43Å; D133-L136 PolarHBondContact O-N 2.9Å; D133-L136 WeakPolarHBondContact OD1-CB 3.41Å; D133-L136 PolarHBondContact OD1-N 2.93Å; D133-L136 WeakPolarHBondContact OD2-CB 3.44Å; D133-A137 WeakPolarHBondContact O-CB 3.39Å; D133-A137 PolarHBondContact O-N 3.35Å; D133-P265 HydrophobicContact CB-CB 3.75Å; D133-P265 HydrophobicContact CB-CG 3.82Å; D133-P265 WeakPolarHBondContact OD2-CG 3.49Å; D133-R268 WeakPolarHBondContact OD1-CD 3.47Å; D133-R268 IonicContact OD1-CZ 3.71Å; D133-R268 IonicContact OD1-NE 2.71Å; D133-R268 IonicContact OD1-NH1 3.99Å; D133-R268 PolarHBondContact OD1-NH1 3.26Å; D133-R268 IonicContact OD2-CZ 3.13Å; D133-R268 IonicContact OD2-NE 2.73Å; D133-R268 PolarHBondContact OD2-NE 3.45Å; D133-R268 IonicContact OD2-NH1 3.4Å; D133-R268 PolarHBondContact OD2-NH1 3.12Å; D133-R268 IonicContact OD2-NH2 2.94Å | ||
| 134 | D | 49.6 | Very low | 56.8 | Low | 28 Ų | 28 | 35.1 Ų | 35.1 | 15% | 0.15 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -24.5 | -45.3 | 155.3 | -95.5 | 62.2 | 0 | 0 | 0 | 113.9 | A138 R271 V453 | D134-A138 WeakPolarHBondContact O-CB 3.22Å; D134-A138 PolarHBondContact O-N 3Å; D134-R271 HydrophobicContact CB-CG 3.94Å; D134-R271 WeakPolarHBondContact O-CD 3.29Å; D134-R271 WeakPolarHBondContact OD2-CB 3.49Å; D134-V453 WeakPolarHBondContact OD1-CG2 3.32Å |
| 135 | D | 53.4 | Low | 57.1 | Low | 24 Ų | 24 | 30.4 Ų | 30.4 | 13% | 0.128 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -82.9 | -37.6 | -179.1 | -69.9 | -28.9 | 0 | 0 | 0 | 113.1 | D133 M139 L186 R271 | D133-D135 PolarHBondContact O-N 2.97Å; D133-D135 PolarHBondContact OD1-N 3.07Å; D135-M139 WeakPolarHBondContact O-CA 3.12Å; D135-M139 WeakPolarHBondContact O-CB 3.35Å; D135-M139 PolarHBondContact O-N 3.43Å; D135-L186 WeakPolarHBondContact OD1-CD2 3.2Å; D135-R271 WeakPolarHBondContact OD1-CD 3.19Å; D135-R271 WeakPolarHBondContact OD1-CG 3.42Å |
| 136 | L | 59.8 | Low | 58.6 | Low | 47 Ų | 47 | 26.4 Ų | 26.4 | 25% | 0.246 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.7 | -47.5 | 173.3 | -167.8 | 65.2 | 0 | 0 | 0 | 110.8 | D133 A138 M139 H140 | D133-L136 HydrophobicContact CB-CB 3.59Å; D133-L136 HydrophobicContact CB-CD2 4.49Å; D133-L136 CarbonylContact O-C 3.43Å; D133-L136 PolarHBondContact O-N 2.9Å; D133-L136 WeakPolarHBondContact OD1-CB 3.41Å; D133-L136 PolarHBondContact OD1-N 2.93Å; D133-L136 WeakPolarHBondContact OD2-CB 3.44Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 2.9Å; L136-M139 HydrophobicContact CD1-CE 4.21Å; L136-M139 CarbonylContact O-C 3.31Å; L136-M139 WeakPolarHBondContact O-CA 3.28Å; L136-M139 WeakPolarHBondContact O-CB 3.44Å; L136-M139 PolarHBondContact O-N 2.9Å; L136-H140 VanDerWaalsContact CD1-NE2 3.35Å; L136-H140 WeakPolarHBondContact CD1-NE2 3.2Å; L136-H140 PolarHBondContact O-CD2 3.03Å; L136-H140 PolarHBondContact O-N 3.39Å |
| 137 | A | 56.4 | Low | 60.4 | Low | 16 Ų | 16 | 26.5 Ų | 26.5 | 13% | 0.132 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.2 | -49.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D133 M139 H140 M141 | D133-A137 WeakPolarHBondContact O-CB 3.39Å; D133-A137 PolarHBondContact O-N 3.35Å; A137-M139 VanDerWaalsContact C-N 3.31Å; A137-M139 PolarHBondContact O-N 3.48Å; A137-H140 PolarHBondContact O-N 3Å; A137-M141 WeakPolarHBondContact O-CB 3.41Å; A137-M141 WeakPolarHBondContact O-CG 3.36Å; A137-M141 PolarHBondContact O-N 3.3Å |
| 138 | A | 63.5 | Low | 62.3 | Low | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.2 | -32.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D134 L136 N142 L186 | D134-A138 WeakPolarHBondContact O-CB 3.22Å; D134-A138 PolarHBondContact O-N 3Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 2.9Å; A138-N142 VanDerWaalsContact O-CB 3.3Å; A138-N142 WeakPolarHBondContact O-CB 3.35Å; A138-N142 PolarHBondContact O-N 3.16Å; A138-N142 PolarHBondContact O-ND2 3.12Å; A138-L186 HydrophobicContact CB-CD1 3.7Å; A138-L186 HydrophobicContact CB-CD2 4.01Å |
| 139 | M | 70.7 | Confident | 64.5 | Low | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.7 | -45.9 | 177.5 | -169.3 | -179.2 | -23.2 | 0 | 0 | 110.9 | D135 L136 A137 N142 K143 L183 L186 N187 | D135-M139 WeakPolarHBondContact O-CA 3.12Å; D135-M139 WeakPolarHBondContact O-CB 3.35Å; D135-M139 PolarHBondContact O-N 3.43Å; L136-M139 HydrophobicContact CD1-CE 4.21Å; L136-M139 CarbonylContact O-C 3.31Å; L136-M139 WeakPolarHBondContact O-CA 3.28Å; L136-M139 WeakPolarHBondContact O-CB 3.44Å; L136-M139 PolarHBondContact O-N 2.9Å; A137-M139 VanDerWaalsContact C-N 3.31Å; A137-M139 PolarHBondContact O-N 3.48Å; M139-N142 PolarHBondContact O-N 3.36Å; M139-K143 WeakPolarHBondContact O-CA 3.49Å; M139-K143 WeakPolarHBondContact O-CB 2.87Å; M139-K143 PolarHBondContact O-N 3.18Å; M139-L183 HydrophobicContact CB-CD1 4.31Å; M139-L183 HydrophobicContact CG-CD1 3.55Å; M139-L183 HydrophobicContact CG-CG 4.11Å; M139-L183 WeakPolarHBondContact O-CD1 3.33Å; M139-L186 HydrophobicContact CB-CD1 4.15Å; M139-N187 WeakPolarHBondContact CE-ND2 3.13Å |
| 140 | H | 68.3 | Low | 66.9 | Low | 47 Ų | 47 | 25.6 Ų | 25.6 | 22% | 0.218 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.5 | -38.7 | 173.2 | -73.8 | -118.7 | 0 | 0 | 0 | 111 | E125 L136 A137 K143 A144 | E125-H140 VanDerWaalsContact CD-ND1 3.26Å; E125-H140 IonicContact OE1-CE1 3.27Å; E125-H140 PolarHBondContact OE1-CE1 3.15Å; E125-H140 IonicContact OE1-CG 3.07Å; E125-H140 IonicContact OE1-ND1 2.68Å; E125-H140 PolarHBondContact OE1-ND1 2.99Å; E125-H140 IonicContact OE2-CE1 3.18Å; E125-H140 PolarHBondContact OE2-CE1 3.06Å; E125-H140 IonicContact OE2-CG 3.17Å; E125-H140 IonicContact OE2-ND1 2.81Å; E125-H140 PolarHBondContact OE2-ND1 3.37Å; L136-H140 VanDerWaalsContact CD1-NE2 3.35Å; L136-H140 WeakPolarHBondContact CD1-NE2 3.2Å; L136-H140 PolarHBondContact O-CD2 3.03Å; L136-H140 PolarHBondContact O-N 3.39Å; A137-H140 PolarHBondContact O-N 3Å; H140-K143 PolarHBondContact O-N 2.7Å; H140-A144 WeakPolarHBondContact O-CB 3.42Å; H140-A144 PolarHBondContact O-N 3.48Å |
| 141 | M | 68.1 | Low | 69 | Low | 60 Ų | 60 | 27.6 Ų | 27.6 | 30% | 0.296 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.2 | -50.7 | 172.8 | -70.9 | -142.8 | -170.9 | 0 | 0 | 111.8 | R119 A137 K143 A144 A145 | R119-M141 WeakPolarHBondContact CD-O 3.47Å; R119-M141 VanDerWaalsContact NH1-CG 3.3Å; R119-M141 PolarHBondContact NH1-SD 3.45Å; A137-M141 WeakPolarHBondContact O-CB 3.41Å; A137-M141 WeakPolarHBondContact O-CG 3.36Å; A137-M141 PolarHBondContact O-N 3.3Å; M141-K143 VanDerWaalsContact C-N 3.34Å; M141-K143 PolarHBondContact O-N 3.34Å; M141-A144 PolarHBondContact O-N 2.89Å; M141-A145 WeakPolarHBondContact O-CB 3.3Å; M141-A145 PolarHBondContact O-N 3.49Å |
| 142 | N | 77.3 | Confident | 71.1 | Confident | 26 Ų | 26 | 27 Ų | 27 | 14% | 0.139 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.1 | -35.2 | 177.5 | -78.9 | -78.3 | 0 | 0 | 0 | 111.9 | A138 M139 A145 F146 N182 L183 | A138-N142 VanDerWaalsContact O-CB 3.3Å; A138-N142 WeakPolarHBondContact O-CB 3.35Å; A138-N142 PolarHBondContact O-N 3.16Å; A138-N142 PolarHBondContact O-ND2 3.12Å; M139-N142 PolarHBondContact O-N 3.36Å; N142-A145 PolarHBondContact O-N 2.98Å; N142-F146 WeakPolarHBondContact O-CB 3.41Å; N142-F146 PolarHBondContact O-N 3.06Å; N142-N182 WeakPolarHBondContact OD1-CB 3.47Å; N142-N182 PolarHBondContact OD1-ND2 3.35Å; N142-N182 VanDerWaalsContact OD1-ND2 3.16Å; N142-L183 HydrophobicContact CB-CB 4.46Å; N142-L183 HydrophobicContact CB-CD1 4.03Å |
| 143 | K | 82.1 | Confident | 73.5 | Confident | 20 Ų | 20 | 25 Ų | 25 | 9% | 0.087 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.3 | -40.7 | 176.9 | -175.7 | 60.6 | 173.5 | 70.2 | 0 | 112.2 | M139 H140 M141 F146 D147 L183 C242 K243 | M139-K143 WeakPolarHBondContact O-CA 3.49Å; M139-K143 WeakPolarHBondContact O-CB 2.87Å; M139-K143 PolarHBondContact O-N 3.18Å; H140-K143 PolarHBondContact O-N 2.7Å; M141-K143 VanDerWaalsContact C-N 3.34Å; M141-K143 PolarHBondContact O-N 3.34Å; K143-F146 HydrophobicContact CD-CD1 4.47Å; K143-F146 WeakPolarHBondContact O-CB 3.39Å; K143-F146 PolarHBondContact O-N 3.31Å; K143-D147 IonicContact NZ-OD1 3.9Å; K143-D147 PolarHBondContact NZ-OD1 2.93Å; K143-D147 IonicContact NZ-OD2 2.7Å; K143-D147 PolarHBondContact NZ-OD2 3.46Å; K143-D147 WeakPolarHBondContact O-CB 3.39Å; K143-D147 VanDerWaalsContact O-CG 3.25Å; K143-D147 PolarHBondContact O-N 3.33Å; K143-L183 HydrophobicContact CB-CD1 3.85Å; K143-C242 HydrophobicContact CD-CB 4.13Å; K143-C242 WeakPolarHBondContact CD-O 3.35Å; K143-C242 WeakPolarHBondContact CE-O 3.39Å; K143-K243 VanDerWaalsContact CE-CA 3.5Å |
| 144 | A | 74.1 | Confident | 75.4 | Confident | 17 Ų | 17 | 26 Ų | 26 | 14% | 0.14 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.5 | -31.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | R119 H140 M141 F146 S148 | R119-A144 HydrophobicContact CG-CB 3.67Å; H140-A144 WeakPolarHBondContact O-CB 3.42Å; H140-A144 PolarHBondContact O-N 3.48Å; M141-A144 PolarHBondContact O-N 2.89Å; A144-F146 VanDerWaalsContact C-N 3.34Å; A144-S148 VanDerWaalsContact O-CB 3.29Å; A144-S148 WeakPolarHBondContact O-CB 3.32Å; A144-S148 PolarHBondContact O-N 3.01Å; A144-S148 PolarHBondContact O-OG 3.47Å |
| 145 | A | 76.1 | Confident | 77.1 | Confident | 7 Ų | 7 | 28.3 Ų | 28.3 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.1 | -30.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | M141 N142 S148 R149 | M141-A145 WeakPolarHBondContact O-CB 3.3Å; M141-A145 PolarHBondContact O-N 3.49Å; N142-A145 PolarHBondContact O-N 2.98Å; A145-S148 PolarHBondContact O-OG 3.12Å; A145-R149 WeakPolarHBondContact O-CD 3.21Å; A145-R149 WeakPolarHBondContact O-CG 3.44Å; A145-R149 PolarHBondContact O-NH1 3.24Å |
| 146 | F | 88.7 | Confident | 78.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.1 | -54.2 | 169 | 172.4 | -84.4 | 0 | 0 | 0 | 110.4 | N142 K143 A144 S148 R149 L150 V176 A180 L238 C242 | N142-F146 WeakPolarHBondContact O-CB 3.41Å; N142-F146 PolarHBondContact O-N 3.06Å; K143-F146 HydrophobicContact CD-CD1 4.47Å; K143-F146 WeakPolarHBondContact O-CB 3.39Å; K143-F146 PolarHBondContact O-N 3.31Å; A144-F146 VanDerWaalsContact C-N 3.34Å; F146-S148 PolarHBondContact O-N 2.79Å; F146-R149 PolarHBondContact O-N 3.07Å; F146-L150 HydrophobicContact CE1-CD1 3.96Å; F146-L150 HydrophobicContact CE1-CD2 3.91Å; F146-L150 HydrophobicContact CE1-CG 4.36Å; F146-L150 HydrophobicContact CZ-CD1 3.86Å; F146-L150 WeakPolarHBondContact O-CB 3.25Å; F146-L150 PolarHBondContact O-N 3.46Å; F146-V176 HydrophobicContact CD2-CG1 3.64Å; F146-V176 HydrophobicContact CE2-CG1 3.51Å; F146-V176 HydrophobicContact CZ-CG1 4.34Å; F146-A180 HydrophobicContact CD2-CB 3.98Å; F146-A180 HydrophobicContact CE2-CB 4.03Å; F146-L238 HydrophobicContact CE2-CD2 3.82Å; F146-L238 HydrophobicContact CE2-CG 3.94Å; F146-L238 HydrophobicContact CZ-CD2 4.39Å; F146-L238 HydrophobicContact CZ-CG 4.17Å; F146-C242 HydrophobicContact CE1-CB 4.29Å; F146-C242 HydrophobicContact CZ-CB 4.3Å |
| 147 | D | 84.9 | Confident | 80.1 | Confident | 58 Ų | 58 | 25.2 Ų | 25.2 | 31% | 0.31 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -64.8 | -35.2 | -176.1 | -74.1 | -19.6 | 0 | 0 | 0 | 113.3 | K143 R149 | K143-D147 IonicContact NZ-OD1 3.9Å; K143-D147 PolarHBondContact NZ-OD1 2.93Å; K143-D147 IonicContact NZ-OD2 2.7Å; K143-D147 PolarHBondContact NZ-OD2 3.46Å; K143-D147 WeakPolarHBondContact O-CB 3.39Å; K143-D147 VanDerWaalsContact O-CG 3.25Å; K143-D147 PolarHBondContact O-N 3.33Å; D147-R149 VanDerWaalsContact C-N 3.28Å; D147-R149 PolarHBondContact O-N 2.8Å |
| 148 | S | 81.6 | Confident | 81.5 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 178.4 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | H115 A144 A145 F146 | H115-S148 PolarHBondContact CD2-O 2.87Å; H115-S148 VanDerWaalsContact CD2-O 3.3Å; H115-S148 PolarHBondContact O-OG 2.83Å; A144-S148 VanDerWaalsContact O-CB 3.29Å; A144-S148 WeakPolarHBondContact O-CB 3.32Å; A144-S148 PolarHBondContact O-N 3.01Å; A144-S148 PolarHBondContact O-OG 3.47Å; A145-S148 PolarHBondContact O-OG 3.12Å; F146-S148 PolarHBondContact O-N 2.79Å |
| 149 | R | 86.8 | Confident | 82.1 | Confident | 16 Ų | 16 | 30.1 Ų | 30.1 | 6% | 0.06 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -88.4 | -26.8 | -179.5 | -63.7 | 175.9 | 176.1 | 103.5 | -4 | 113.7 | S112 H115 A145 F146 D147 Q151 F152 V153 V176 | S112-R149 PolarHBondContact OG-NH2 3.28Å; H115-R149 HydrophobicContact CB-CG 4.02Å; A145-R149 WeakPolarHBondContact O-CD 3.21Å; A145-R149 WeakPolarHBondContact O-CG 3.44Å; A145-R149 PolarHBondContact O-NH1 3.24Å; F146-R149 PolarHBondContact O-N 3.07Å; D147-R149 VanDerWaalsContact C-N 3.28Å; D147-R149 PolarHBondContact O-N 2.8Å; R149-Q151 VanDerWaalsContact C-N 3.3Å; R149-Q151 PolarHBondContact O-N 3.13Å; R149-F152 WeakPolarHBondContact O-CB 3.18Å; R149-F152 PolarHBondContact O-N 3.48Å; R149-V153 PolarHBondContact O-N 3.22Å; R149-V153 VanDerWaalsContact O-N 3.13Å; R149-V176 HydrophobicContact CB-CG2 3.44Å; R149-V176 VanDerWaalsContact CB-CG2 3.44Å |
| 150 | L | 90.1 | Very high | 82.2 | Confident | 26 Ų | 26 | 32.2 Ų | 32.2 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53 | -41.8 | -173.5 | -178.7 | 70 | 0 | 0 | 0 | 113.8 | F146 V153 S154 L235 S239 | F146-L150 HydrophobicContact CE1-CD1 3.96Å; F146-L150 HydrophobicContact CE1-CD2 3.91Å; F146-L150 HydrophobicContact CE1-CG 4.36Å; F146-L150 HydrophobicContact CZ-CD1 3.86Å; F146-L150 WeakPolarHBondContact O-CB 3.25Å; F146-L150 PolarHBondContact O-N 3.46Å; L150-V153 PolarHBondContact O-N 2.92Å; L150-S154 PolarHBondContact O-N 3.42Å; L150-S154 PolarHBondContact O-OG 3.37Å; L150-L235 HydrophobicContact CD1-CD1 4.01Å; L150-L235 HydrophobicContact CD1-CD2 3.98Å; L150-L235 HydrophobicContact CD1-CG 3.76Å; L150-S239 WeakPolarHBondContact CD2-OG 3.23Å |
| 151 | Q | 86.6 | Confident | 82.2 | Confident | 94 Ų | 94 | 35.6 Ų | 35.6 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65 | -45.3 | 178.4 | -173.7 | 66.4 | 60.6 | 0 | 0 | 111.3 | R149 V153 S154 D155 | R149-Q151 VanDerWaalsContact C-N 3.3Å; R149-Q151 PolarHBondContact O-N 3.13Å; Q151-V153 VanDerWaalsContact C-N 3.29Å; Q151-V153 PolarHBondContact O-N 2.77Å; Q151-S154 WeakPolarHBondContact O-CB 3.36Å; Q151-S154 PolarHBondContact O-N 3.23Å; Q151-S154 VanDerWaalsContact O-N 3.08Å; Q151-D155 PolarHBondContact NE2-OD1 3.28Å; Q151-D155 PolarHBondContact O-N 2.74Å |
| 152 | F | 85 | Confident | 82 | Confident | 25 Ų | 25 | 34 Ų | 34 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 180 | -175.1 | -87.9 | 0 | 0 | 0 | 111.7 | R149 W156 V164 A168 A172 | R149-F152 WeakPolarHBondContact O-CB 3.18Å; R149-F152 PolarHBondContact O-N 3.48Å; F152-W156 WeakPolarHBondContact O-CB 3.32Å; F152-W156 PolarHBondContact O-N 3Å; F152-V164 HydrophobicContact CE1-CG1 3.89Å; F152-V164 HydrophobicContact CE2-CG1 4Å; F152-V164 HydrophobicContact CZ-CG1 3.52Å; F152-A168 HydrophobicContact CE1-CB 4.39Å; F152-A168 HydrophobicContact CZ-CB 4.25Å; F152-A172 HydrophobicContact CD1-CB 3.61Å; F152-A172 HydrophobicContact CE1-CB 3.91Å |
| 153 | V | 90 | Very high | 81 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 174.2 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | R149 L150 Q151 W156 I157 A172 L173 V176 L235 | R149-V153 PolarHBondContact O-N 3.22Å; R149-V153 VanDerWaalsContact O-N 3.13Å; L150-V153 PolarHBondContact O-N 2.92Å; Q151-V153 VanDerWaalsContact C-N 3.29Å; Q151-V153 PolarHBondContact O-N 2.77Å; V153-W156 PolarHBondContact O-N 3.38Å; V153-I157 HydrophobicContact CG1-CD1 3.92Å; V153-I157 WeakPolarHBondContact O-CD1 3.36Å; V153-I157 VanDerWaalsContact O-CG1 3.26Å; V153-I157 WeakPolarHBondContact O-CG1 3.24Å; V153-I157 PolarHBondContact O-N 3Å; V153-A172 HydrophobicContact CG2-CB 3.8Å; V153-L173 HydrophobicContact CG1-CB 4.08Å; V153-L173 HydrophobicContact CG1-CD1 3.76Å; V153-L173 HydrophobicContact CG1-CG 4.49Å; V153-L173 HydrophobicContact CG2-CB 4.38Å; V153-V176 HydrophobicContact CG2-CG2 3.87Å; V153-L235 HydrophobicContact CB-CD2 4.3Å; V153-L235 HydrophobicContact CG1-CD1 4.45Å; V153-L235 HydrophobicContact CG1-CD2 3.79Å |
| 154 | S | 90.6 | Very high | 79.9 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 16% | 0.161 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | L150 Q151 I157 S158 | L150-S154 PolarHBondContact O-N 3.42Å; L150-S154 PolarHBondContact O-OG 3.37Å; Q151-S154 WeakPolarHBondContact O-CB 3.36Å; Q151-S154 PolarHBondContact O-N 3.23Å; Q151-S154 VanDerWaalsContact O-N 3.08Å; S154-I157 PolarHBondContact O-N 3.27Å; S154-S158 PolarHBondContact O-N 3.4Å; S154-S158 PolarHBondContact O-OG 3.39Å |
| 155 | D | 85.8 | Confident | 79.4 | Confident | 76 Ų | 76 | 35.7 Ų | 35.7 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.4 | -60.3 | -17.6 | 0 | 0 | 0 | 110.5 | Q151 I157 S158 D159 | Q151-D155 PolarHBondContact NE2-OD1 3.28Å; Q151-D155 PolarHBondContact O-N 2.74Å; D155-I157 PolarHBondContact O-N 2.85Å; D155-S158 PolarHBondContact O-N 3.36Å; D155-D159 WeakPolarHBondContact O-CB 3.09Å; D155-D159 PolarHBondContact O-N 3.21Å |
| 156 | W | 87.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -30.5 | 176.1 | 176.2 | 77 | 0 | 0 | 0 | 114.3 | F152 V153 V164 I211 R214 | F152-W156 WeakPolarHBondContact O-CB 3.32Å; F152-W156 PolarHBondContact O-N 3Å; V153-W156 PolarHBondContact O-N 3.38Å; W156-V164 HydrophobicContact CB-CB 4.31Å; W156-V164 HydrophobicContact CB-CG1 4Å; W156-V164 HydrophobicContact CG-CG1 4.36Å; W156-I211 HydrophobicContact CH2-CD1 3.99Å; W156-I211 HydrophobicContact CH2-CG1 3.8Å; W156-I211 HydrophobicContact CZ2-CD1 4.41Å; W156-I211 HydrophobicContact CZ2-CG1 3.97Å; W156-R214 PolarHBondContact O-NH1 2.98Å; W156-R214 PolarHBondContact O-NH2 3.44Å |
| 157 | I | 88.2 | Confident | 78.4 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.5 | -42.5 | 172.9 | -70.3 | 160.6 | 0 | 0 | 0 | 110.3 | V153 S154 D155 R214 A228 L231 L235 | V153-I157 HydrophobicContact CG1-CD1 3.92Å; V153-I157 WeakPolarHBondContact O-CD1 3.36Å; V153-I157 VanDerWaalsContact O-CG1 3.26Å; V153-I157 WeakPolarHBondContact O-CG1 3.24Å; V153-I157 PolarHBondContact O-N 3Å; S154-I157 PolarHBondContact O-N 3.27Å; D155-I157 PolarHBondContact O-N 2.85Å; I157-R214 PolarHBondContact O-NH2 3.07Å; I157-A228 HydrophobicContact CG2-CB 4.06Å; I157-A228 WeakPolarHBondContact CG2-O 3.34Å; I157-L231 HydrophobicContact CD1-CB 4.03Å; I157-L231 HydrophobicContact CG1-CB 4.32Å; I157-L231 HydrophobicContact CG2-CB 4.05Å; I157-L235 HydrophobicContact CD1-CD2 3.78Å |
| 158 | S | 85.4 | Confident | 77.7 | Confident | 92 Ų | 92 | 35.8 Ų | 35.8 | 64% | 0.643 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -74.1 | -22.9 | -178.3 | -66.8 | 0 | 0 | 0 | 0 | 114.5 | S154 D155 S160 | S154-S158 PolarHBondContact O-N 3.4Å; S154-S158 PolarHBondContact O-OG 3.39Å; D155-S158 PolarHBondContact O-N 3.36Å; S158-S160 PolarHBondContact O-N 3.23Å |
| 159 | D | 76.9 | Confident | 77.6 | Confident | 29 Ų | 29 | 35.5 Ų | 35.5 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | trans | -77.9 | 102 | 177.6 | -173.3 | -5.3 | 0 | 0 | 0 | 112.1 | D155 N161 C162 S163 V164 R214 | D155-D159 WeakPolarHBondContact O-CB 3.09Å; D155-D159 PolarHBondContact O-N 3.21Å; D159-N161 PolarHBondContact OD1-N 3.31Å; D159-C162 PolarHBondContact OD1-N 3.48Å; D159-S163 WeakPolarHBondContact OD2-CA 3.2Å; D159-S163 VanDerWaalsContact OD2-CB 3.28Å; D159-S163 WeakPolarHBondContact OD2-CB 3.4Å; D159-S163 PolarHBondContact OD2-N 3.01Å; D159-S163 PolarHBondContact OD2-OG 3.29Å; D159-V164 PolarHBondContact OD2-N 2.71Å; D159-V164 VanDerWaalsContact OD2-N 3.16Å; D159-R214 PolarHBondContact O-NH2 3.47Å | ||
| 160 | S | 72.3 | Confident | 77.4 | Confident | 49 Ų | 49 | 36.3 Ų | 36.3 | 34% | 0.343 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -35.2 | 176.4 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | S158 N220 | S158-S160 PolarHBondContact O-N 3.23Å; S160-N220 VanDerWaalsContact C-OD1 3.29Å; S160-N220 WeakPolarHBondContact CB-OD1 3.39Å; S160-N220 PolarHBondContact O-OD1 2.96Å |
| 161 | N | 67.4 | Low | 76.9 | Confident | 118 Ų | 118 | 37.4 Ų | 37.4 | 63% | 0.631 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0.2 | -177.3 | -69.8 | -35.8 | 0 | 0 | 0 | 114.1 | D159 S163 N220 | D159-N161 PolarHBondContact OD1-N 3.31Å; N161-S163 PolarHBondContact O-N 3.17Å; N161-N220 PolarHBondContact OD1-ND2 2.65Å |
| 162 | C | 65.2 | Low | 76.7 | Confident | 26 Ų | 26 | 33.2 Ų | 33.2 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | trans | 58.4 | 39.7 | 173.5 | -145.5 | 0 | 0 | 0 | 0 | 114.4 | D159 V164 | D159-C162 PolarHBondContact OD1-N 3.48Å; C162-V164 PolarHBondContact O-N 3.37Å; C162-V164 PolarHBondContact SG-O 3.33Å | ||
| 163 | S | 56.5 | Low | 77 | Confident | 75 Ų | 75 | 32.1 Ų | 32.1 | 52% | 0.524 | 19% | 0.192 | S | C | . | . | trans | -64 | -27 | 169.4 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | D159 N161 | D159-S163 WeakPolarHBondContact OD2-CA 3.2Å; D159-S163 VanDerWaalsContact OD2-CB 3.28Å; D159-S163 WeakPolarHBondContact OD2-CB 3.4Å; D159-S163 PolarHBondContact OD2-N 3.01Å; D159-S163 PolarHBondContact OD2-OG 3.29Å; N161-S163 PolarHBondContact O-N 3.17Å | ||
| 164 | V | 57.3 | Low | 76.9 | Confident | 23 Ų | 23 | 34.5 Ų | 34.5 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -80.6 | 118.2 | 162.2 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | F152 W156 D159 C162 M166 | F152-V164 HydrophobicContact CE1-CG1 3.89Å; F152-V164 HydrophobicContact CE2-CG1 4Å; F152-V164 HydrophobicContact CZ-CG1 3.52Å; W156-V164 HydrophobicContact CB-CB 4.31Å; W156-V164 HydrophobicContact CB-CG1 4Å; W156-V164 HydrophobicContact CG-CG1 4.36Å; D159-V164 PolarHBondContact OD2-N 2.71Å; D159-V164 VanDerWaalsContact OD2-N 3.16Å; C162-V164 PolarHBondContact O-N 3.37Å; C162-V164 PolarHBondContact SG-O 3.33Å; V164-M166 PolarHBondContact O-N 3.13Å |
| 165 | A | 63.8 | Low | 76.6 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | trans | -48.7 | 134.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A19 E22 T167 A168 G169 | A19-A165 WeakPolarHBondContact O-CB 3.46Å; E22-A165 HydrophobicContact CB-CB 3.87Å; E22-A165 WeakPolarHBondContact OE2-CA 3.39Å; E22-A165 VanDerWaalsContact OE2-CB 3.3Å; E22-A165 WeakPolarHBondContact OE2-CB 3.24Å; A165-T167 PolarHBondContact O-N 3.46Å; A165-A168 HydrophobicContact CB-CB 3.96Å; A165-A168 PolarHBondContact O-N 3.49Å; A165-G169 PolarHBondContact O-N 3.33Å | ||
| 166 | M | 73.7 | Confident | 76.9 | Confident | 32 Ų | 32 | 32 Ų | 32 | 16% | 0.158 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | -171.7 | -179.3 | 170.9 | 47.8 | 0 | 0 | 112.2 | E22 V164 G169 E170 R214 R215 | E22-M166 PolarHBondContact OE2-N 2.73Å; V164-M166 PolarHBondContact O-N 3.13Å; M166-G169 PolarHBondContact O-N 3.31Å; M166-E170 WeakPolarHBondContact O-CB 3.41Å; M166-E170 PolarHBondContact O-N 3.33Å; M166-R214 HydrophobicContact SD-CB 4.25Å; M166-R215 HydrophobicContact CE-CG 3.74Å; M166-R215 HydrophobicContact SD-CG 3.59Å; M166-R215 VanDerWaalsContact SD-CG 3.59Å |
| 167 | T | 70.3 | Confident | 77.2 | Confident | 23 Ų | 23 | 32.2 Ų | 32.2 | 14% | 0.141 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.6 | -36.4 | 178 | 52 | 0 | 0 | 0 | 0 | 112.1 | D104 A165 K171 | D104-T167 HydrophobicContact CB-CG2 4.35Å; D104-T167 PolarHBondContact OD1-OG1 3.43Å; A165-T167 PolarHBondContact O-N 3.46Å; T167-K171 WeakPolarHBondContact O-CB 3.4Å; T167-K171 PolarHBondContact O-N 2.7Å |
| 168 | A | 69.8 | Low | 77.1 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 10% | 0.099 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.6 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F152 A165 A172 | F152-A168 HydrophobicContact CE1-CB 4.39Å; F152-A168 HydrophobicContact CZ-CB 4.25Å; A165-A168 HydrophobicContact CB-CB 3.96Å; A165-A168 PolarHBondContact O-N 3.49Å; A168-A172 WeakPolarHBondContact O-CB 3.4Å; A168-A172 PolarHBondContact O-N 2.6Å |
| 169 | G | 80.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A165 M166 A172 L173 | A165-G169 PolarHBondContact O-N 3.33Å; M166-G169 PolarHBondContact O-N 3.31Å; G169-A172 PolarHBondContact O-N 3.3Å; G169-L173 PolarHBondContact O-N 3.38Å |
| 170 | E | 82.4 | Confident | 77.7 | Confident | 32 Ų | 32 | 31.2 Ų | 31.2 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.8 | -48.9 | 173.8 | 177.4 | 170.3 | -161.1 | 0 | 0 | 111.5 | M166 L173 N174 Q208 I211 R215 | M166-E170 WeakPolarHBondContact O-CB 3.41Å; M166-E170 PolarHBondContact O-N 3.33Å; E170-L173 PolarHBondContact O-N 3.37Å; E170-N174 VanDerWaalsContact O-CG 3.31Å; E170-N174 PolarHBondContact O-N 3.3Å; E170-N174 PolarHBondContact O-ND2 2.77Å; E170-Q208 PolarHBondContact OE1-NE2 2.94Å; E170-I211 HydrophobicContact CB-CD1 3.87Å; E170-I211 HydrophobicContact CG-CD1 3.69Å; E170-R215 IonicContact OE2-CZ 2.67Å; E170-R215 IonicContact OE2-NH1 2.69Å; E170-R215 IonicContact OE2-NH2 3.64Å; E170-R215 PolarHBondContact OE2-NH2 2.92Å |
| 171 | K | 78.8 | Confident | 78.5 | Confident | 50 Ų | 50 | 31.7 Ų | 31.7 | 22% | 0.217 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.4 | -37.6 | 177 | -77.4 | -166.2 | 167.6 | -160.1 | 0 | 113.4 | S108 T167 L173 N174 Q175 E468 | S108-K171 VanDerWaalsContact CB-CD 3.44Å; S108-K171 WeakPolarHBondContact OG-CB 3.49Å; S108-K171 WeakPolarHBondContact OG-CD 3.32Å; T167-K171 WeakPolarHBondContact O-CB 3.4Å; T167-K171 PolarHBondContact O-N 2.7Å; K171-L173 VanDerWaalsContact C-N 3.33Å; K171-L173 PolarHBondContact O-N 2.95Å; K171-N174 PolarHBondContact O-N 3.44Å; K171-Q175 WeakPolarHBondContact O-CB 3.3Å; K171-Q175 VanDerWaalsContact O-CG 3.3Å; K171-Q175 WeakPolarHBondContact O-CG 3.36Å; K171-Q175 PolarHBondContact O-N 2.94Å; K171-E468 IonicContact NZ-OE1 2.91Å; K171-E468 PolarHBondContact NZ-OE1 3.15Å; K171-E468 IonicContact NZ-OE2 2.66Å; K171-E468 PolarHBondContact NZ-OE2 2.94Å |
| 172 | A | 83.6 | Confident | 79.1 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F152 V153 A168 G169 Q175 V176 | F152-A172 HydrophobicContact CD1-CB 3.61Å; F152-A172 HydrophobicContact CE1-CB 3.91Å; V153-A172 HydrophobicContact CG2-CB 3.8Å; A168-A172 WeakPolarHBondContact O-CB 3.4Å; A168-A172 PolarHBondContact O-N 2.6Å; G169-A172 PolarHBondContact O-N 3.3Å; A172-Q175 PolarHBondContact O-N 3.07Å; A172-V176 WeakPolarHBondContact O-CG2 3.46Å; A172-V176 PolarHBondContact O-N 3.47Å |
| 173 | L | 90.8 | Very high | 79.8 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -51.3 | 171.9 | 176 | 66.6 | 0 | 0 | 0 | 110.8 | V153 G169 E170 K171 Q175 V176 L177 A207 L235 | V153-L173 HydrophobicContact CG1-CB 4.08Å; V153-L173 HydrophobicContact CG1-CD1 3.76Å; V153-L173 HydrophobicContact CG1-CG 4.49Å; V153-L173 HydrophobicContact CG2-CB 4.38Å; G169-L173 PolarHBondContact O-N 3.38Å; E170-L173 PolarHBondContact O-N 3.37Å; K171-L173 VanDerWaalsContact C-N 3.33Å; K171-L173 PolarHBondContact O-N 2.95Å; L173-Q175 PolarHBondContact O-N 3.05Å; L173-V176 CarbonylContact O-C 3.58Å; L173-V176 WeakPolarHBondContact O-CA 3.49Å; L173-V176 WeakPolarHBondContact O-CB 3.34Å; L173-V176 PolarHBondContact O-N 3.21Å; L173-L177 HydrophobicContact CD1-CD1 4.15Å; L173-L177 HydrophobicContact CD1-CD2 4.1Å; L173-L177 HydrophobicContact CD1-CG 3.92Å; L173-L177 HydrophobicContact CD2-CD1 4.45Å; L173-L177 HydrophobicContact CG-CD1 3.98Å; L173-L177 HydrophobicContact CG-CG 4.11Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 2.84Å; L173-A207 HydrophobicContact CD2-CB 3.15Å; L173-L235 HydrophobicContact CD1-CD1 4.43Å |
| 174 | N | 88.3 | Confident | 81.1 | Confident | 50 Ų | 50 | 25 Ų | 25 | 27% | 0.267 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -58.3 | -36 | 179.8 | -68.9 | -18.7 | 0 | 0 | 0 | 112 | E170 K171 N178 | E170-N174 VanDerWaalsContact O-CG 3.31Å; E170-N174 PolarHBondContact O-N 3.3Å; E170-N174 PolarHBondContact O-ND2 2.77Å; K171-N174 PolarHBondContact O-N 3.44Å; N174-N178 VanDerWaalsContact O-CB 3.32Å; N174-N178 WeakPolarHBondContact O-CB 3.5Å; N174-N178 PolarHBondContact O-N 3.15Å |
| 175 | Q | 84.8 | Confident | 82 | Confident | 46 Ų | 46 | 27.7 Ų | 27.7 | 22% | 0.215 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 172.4 | -71.2 | 175.8 | -1.2 | 0 | 0 | 113 | K171 A172 L173 S179 | K171-Q175 WeakPolarHBondContact O-CB 3.3Å; K171-Q175 VanDerWaalsContact O-CG 3.3Å; K171-Q175 WeakPolarHBondContact O-CG 3.36Å; K171-Q175 PolarHBondContact O-N 2.94Å; A172-Q175 PolarHBondContact O-N 3.07Å; L173-Q175 PolarHBondContact O-N 3.05Å; Q175-S179 WeakPolarHBondContact O-CB 3.4Å; Q175-S179 PolarHBondContact O-N 3.33Å; Q175-S179 PolarHBondContact O-OG 2.86Å |
| 176 | V | 91.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.6 | -46.3 | 172.4 | 165 | 0 | 0 | 0 | 0 | 111.1 | F146 R149 V153 A172 L173 S179 A180 L235 | F146-V176 HydrophobicContact CD2-CG1 3.64Å; F146-V176 HydrophobicContact CE2-CG1 3.51Å; F146-V176 HydrophobicContact CZ-CG1 4.34Å; R149-V176 HydrophobicContact CB-CG2 3.44Å; R149-V176 VanDerWaalsContact CB-CG2 3.44Å; V153-V176 HydrophobicContact CG2-CG2 3.87Å; A172-V176 WeakPolarHBondContact O-CG2 3.46Å; A172-V176 PolarHBondContact O-N 3.47Å; L173-V176 CarbonylContact O-C 3.58Å; L173-V176 WeakPolarHBondContact O-CA 3.49Å; L173-V176 WeakPolarHBondContact O-CB 3.34Å; L173-V176 PolarHBondContact O-N 3.21Å; V176-S179 PolarHBondContact O-N 2.94Å; V176-A180 PolarHBondContact O-N 3.18Å; V176-L235 HydrophobicContact CG1-CD1 4.19Å |
| 177 | L | 93 | Very high | 81.9 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 178.4 | -61.8 | -176.5 | 0 | 0 | 0 | 111.7 | L173 A180 K181 C200 L203 N204 L238 | L173-L177 HydrophobicContact CD1-CD1 4.15Å; L173-L177 HydrophobicContact CD1-CD2 4.1Å; L173-L177 HydrophobicContact CD1-CG 3.92Å; L173-L177 HydrophobicContact CD2-CD1 4.45Å; L173-L177 HydrophobicContact CG-CD1 3.98Å; L173-L177 HydrophobicContact CG-CG 4.11Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 2.84Å; L177-A180 PolarHBondContact O-N 3.4Å; L177-K181 WeakPolarHBondContact O-CB 3.47Å; L177-K181 WeakPolarHBondContact O-CG 3.46Å; L177-K181 PolarHBondContact O-N 3.44Å; L177-C200 HydrophobicContact CB-CB 4.35Å; L177-C200 HydrophobicContact CD2-CB 4Å; L177-L203 HydrophobicContact CD1-CB 4.39Å; L177-L203 HydrophobicContact CD2-CB 3.91Å; L177-L203 HydrophobicContact CD2-CD1 3.94Å; L177-N204 HydrophobicContact CD1-CB 4.05Å; L177-L238 HydrophobicContact CD2-CD2 3.86Å |
| 178 | N | 86.9 | Confident | 81.7 | Confident | 94 Ų | 94 | 35.1 Ų | 35.1 | 50% | 0.503 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 174.3 | -73 | -9 | 0 | 0 | 0 | 112 | N174 A180 K181 N182 | N174-N178 VanDerWaalsContact O-CB 3.32Å; N174-N178 WeakPolarHBondContact O-CB 3.5Å; N174-N178 PolarHBondContact O-N 3.15Å; N178-A180 VanDerWaalsContact C-N 3.31Å; N178-A180 PolarHBondContact O-N 3.29Å; N178-K181 PolarHBondContact O-N 3Å; N178-N182 WeakPolarHBondContact O-CB 3.38Å; N178-N182 PolarHBondContact O-N 3.03Å; N178-N182 PolarHBondContact O-OD1 3.15Å |
| 179 | S | 84.9 | Confident | 81 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 175 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | Q175 V176 L183 | Q175-S179 WeakPolarHBondContact O-CB 3.4Å; Q175-S179 PolarHBondContact O-N 3.33Å; Q175-S179 PolarHBondContact O-OG 2.86Å; V176-S179 PolarHBondContact O-N 2.94Å; S179-L183 WeakPolarHBondContact O-CB 3.26Å; S179-L183 PolarHBondContact O-N 3.3Å |
| 180 | A | 90.6 | Very high | 80.3 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F146 V176 L177 N178 L183 A184 I196 L238 | F146-A180 HydrophobicContact CD2-CB 3.98Å; F146-A180 HydrophobicContact CE2-CB 4.03Å; V176-A180 PolarHBondContact O-N 3.18Å; L177-A180 PolarHBondContact O-N 3.4Å; N178-A180 VanDerWaalsContact C-N 3.31Å; N178-A180 PolarHBondContact O-N 3.29Å; A180-L183 WeakPolarHBondContact O-CB 3.5Å; A180-L183 PolarHBondContact O-N 2.97Å; A180-A184 WeakPolarHBondContact O-CB 3.46Å; A180-A184 PolarHBondContact O-N 3.26Å; A180-I196 HydrophobicContact CB-CG2 4.06Å; A180-I196 WeakPolarHBondContact O-CG2 3.48Å; A180-L238 HydrophobicContact CB-CD1 4.09Å; A180-L238 HydrophobicContact CB-CD2 4.1Å; A180-L238 HydrophobicContact CB-CG 4.34Å |
| 181 | K | 88.6 | Confident | 79.8 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 173.3 | -74.6 | -178.9 | 177.9 | -173.8 | 0 | 111.6 | L177 N178 A184 N185 C200 D201 | L177-K181 WeakPolarHBondContact O-CB 3.47Å; L177-K181 WeakPolarHBondContact O-CG 3.46Å; L177-K181 PolarHBondContact O-N 3.44Å; N178-K181 PolarHBondContact O-N 3Å; K181-A184 PolarHBondContact O-N 3.06Å; K181-N185 WeakPolarHBondContact O-CB 3.38Å; K181-N185 PolarHBondContact O-N 3.34Å; K181-N185 PolarHBondContact O-ND2 3.45Å; K181-N185 PolarHBondContact O-OD1 3.4Å; K181-C200 HydrophobicContact CD-CB 4.41Å; K181-C200 HydrophobicContact CG-CB 4.13Å; K181-D201 WeakPolarHBondContact CE-OD1 3.48Å; K181-D201 IonicContact NZ-OD1 2.73Å; K181-D201 PolarHBondContact NZ-OD1 2.68Å |
| 182 | N | 80.7 | Confident | 79.7 | Confident | 78 Ų | 78 | 45 Ų | 45 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -48 | 172.3 | -71.3 | -7.9 | 0 | 0 | 0 | 111.5 | N142 N178 A184 N185 L186 | N142-N182 WeakPolarHBondContact OD1-CB 3.47Å; N142-N182 PolarHBondContact OD1-ND2 3.35Å; N142-N182 VanDerWaalsContact OD1-ND2 3.16Å; N178-N182 WeakPolarHBondContact O-CB 3.38Å; N178-N182 PolarHBondContact O-N 3.03Å; N178-N182 PolarHBondContact O-OD1 3.15Å; N182-A184 VanDerWaalsContact C-N 3.26Å; N182-A184 PolarHBondContact O-N 3.44Å; N182-N185 PolarHBondContact O-N 3.42Å; N182-L186 WeakPolarHBondContact O-CG 3.41Å; N182-L186 PolarHBondContact O-N 2.93Å; N182-L186 VanDerWaalsContact O-N 3.13Å |
| 183 | L | 80.1 | Confident | 79.6 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55 | -42 | 175.7 | -161.6 | 95 | 0 | 0 | 0 | 112.1 | M139 N142 K143 S179 A180 C242 L245 | M139-L183 HydrophobicContact CB-CD1 4.31Å; M139-L183 HydrophobicContact CG-CD1 3.55Å; M139-L183 HydrophobicContact CG-CG 4.11Å; M139-L183 WeakPolarHBondContact O-CD1 3.33Å; N142-L183 HydrophobicContact CB-CB 4.46Å; N142-L183 HydrophobicContact CB-CD1 4.03Å; K143-L183 HydrophobicContact CB-CD1 3.85Å; S179-L183 WeakPolarHBondContact O-CB 3.26Å; S179-L183 PolarHBondContact O-N 3.3Å; A180-L183 WeakPolarHBondContact O-CB 3.5Å; A180-L183 PolarHBondContact O-N 2.97Å; L183-C242 HydrophobicContact CD2-CB 3.68Å; L183-L245 HydrophobicContact CD2-CB 4.31Å; L183-L245 HydrophobicContact CD2-CD2 3.77Å; L183-L245 HydrophobicContact CG-CD2 3.96Å; L183-L245 WeakPolarHBondContact O-CD2 3.13Å |
| 184 | A | 82.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | A180 K181 N182 L186 N187 Q188 S193 I196 I197 | A180-A184 WeakPolarHBondContact O-CB 3.46Å; A180-A184 PolarHBondContact O-N 3.26Å; K181-A184 PolarHBondContact O-N 3.06Å; N182-A184 VanDerWaalsContact C-N 3.26Å; N182-A184 PolarHBondContact O-N 3.44Å; A184-L186 VanDerWaalsContact C-N 3.29Å; A184-L186 PolarHBondContact O-N 3.15Å; A184-N187 CarbonylContact O-C 3.52Å; A184-N187 VanDerWaalsContact O-C 3.31Å; A184-N187 PolarHBondContact O-N 3.42Å; A184-Q188 PolarHBondContact O-N 3.41Å; A184-S193 WeakPolarHBondContact CA-OG 3.49Å; A184-S193 WeakPolarHBondContact O-CB 3.43Å; A184-S193 PolarHBondContact O-OG 3.44Å; A184-I196 HydrophobicContact CB-CB 4.1Å; A184-I196 HydrophobicContact CB-CG2 3.79Å; A184-I197 HydrophobicContact CB-CD1 4.26Å; A184-I197 HydrophobicContact CB-CG1 3.98Å |
| 185 | N | 76.7 | Confident | 79.3 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.8 | -21.1 | -179 | -71.4 | -17.2 | 0 | 0 | 0 | 113.9 | K181 N182 N187 Q188 | K181-N185 WeakPolarHBondContact O-CB 3.38Å; K181-N185 PolarHBondContact O-N 3.34Å; K181-N185 PolarHBondContact O-ND2 3.45Å; K181-N185 PolarHBondContact O-OD1 3.4Å; N182-N185 PolarHBondContact O-N 3.42Å; N185-N187 VanDerWaalsContact C-N 3.27Å; N185-Q188 WeakPolarHBondContact O-CG 3.37Å; N185-Q188 PolarHBondContact O-NE2 3.42Å; N185-Q188 VanDerWaalsContact O-NE2 3.09Å |
| 186 | L | 68.6 | Low | 79.6 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 19% | 0.194 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -18.8 | 168.6 | -62.5 | 166.6 | 0 | 0 | 0 | 112.4 | D135 A138 M139 N182 A184 | D135-L186 WeakPolarHBondContact OD1-CD2 3.2Å; A138-L186 HydrophobicContact CB-CD1 3.7Å; A138-L186 HydrophobicContact CB-CD2 4.01Å; M139-L186 HydrophobicContact CB-CD1 4.15Å; N182-L186 WeakPolarHBondContact O-CG 3.41Å; N182-L186 PolarHBondContact O-N 2.93Å; N182-L186 VanDerWaalsContact O-N 3.13Å; A184-L186 VanDerWaalsContact C-N 3.29Å; A184-L186 PolarHBondContact O-N 3.15Å |
| 187 | N | 67.2 | Low | 79.5 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | 43.5 | -171.8 | -91.5 | -59.7 | 0 | 0 | 0 | 112.6 | M139 A184 N185 T189 S190 S193 L245 | M139-N187 WeakPolarHBondContact CE-ND2 3.13Å; A184-N187 CarbonylContact O-C 3.52Å; A184-N187 VanDerWaalsContact O-C 3.31Å; A184-N187 PolarHBondContact O-N 3.42Å; N185-N187 VanDerWaalsContact C-N 3.27Å; N187-T189 PolarHBondContact O-N 3.44Å; N187-S190 WeakPolarHBondContact O-CB 3.43Å; N187-S190 PolarHBondContact O-N 3.17Å; N187-S190 PolarHBondContact O-OG 3Å; N187-S193 WeakPolarHBondContact O-CB 3.07Å; N187-S193 PolarHBondContact O-OG 3.4Å; N187-L245 HydrophobicContact CB-CD1 4.14Å; N187-L245 HydrophobicContact CB-CD2 4.22Å; N187-L245 HydrophobicContact CB-CG 4.42Å |
| 188 | Q | 65.8 | Low | 79.5 | Confident | 146 Ų | 146 | 57.8 Ų | 57.8 | 68% | 0.682 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.4 | -168.1 | -53.3 | -176.3 | 20.1 | 0 | 0 | 115.2 | A184 N185 S190 | A184-Q188 PolarHBondContact O-N 3.41Å; N185-Q188 WeakPolarHBondContact O-CG 3.37Å; N185-Q188 PolarHBondContact O-NE2 3.42Å; N185-Q188 VanDerWaalsContact O-NE2 3.09Å; Q188-S190 VanDerWaalsContact C-N 3.28Å; Q188-S190 PolarHBondContact O-N 3.17Å |
| 189 | T | 54.4 | Low | 79.9 | Confident | 138 Ų | 138 | 53.5 Ų | 53.5 | 85% | 0.847 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -15.9 | 177.5 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | N187 | N187-T189 PolarHBondContact O-N 3.44Š|
| 190 | S | 66 | Low | 80.4 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -81.8 | 144 | -174.7 | 87.8 | 0 | 0 | 0 | 0 | 113.2 | N187 Q188 N192 S193 L245 | N187-S190 WeakPolarHBondContact O-CB 3.43Å; N187-S190 PolarHBondContact O-N 3.17Å; N187-S190 PolarHBondContact O-OG 3Å; Q188-S190 VanDerWaalsContact C-N 3.28Å; Q188-S190 PolarHBondContact O-N 3.17Å; S190-N192 PolarHBondContact O-N 3.35Å; S190-S193 PolarHBondContact O-N 2.85Å; S190-S193 WeakPolarHBondContact OG-CB 3.41Å; S190-S193 PolarHBondContact OG-N 3.49Å; S190-S193 PolarHBondContact OG-OG 3.08Å; S190-L245 WeakPolarHBondContact OG-CD1 3.48Å |
| 191 | S | 73 | Confident | 80.6 | Confident | 99 Ų | 99 | 56.4 Ų | 56.4 | 69% | 0.692 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.5 | -40.7 | 169.9 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | S193 K194 A195 | S191-S193 VanDerWaalsContact C-N 3.34Å; S191-S193 PolarHBondContact O-N 3.41Å; S191-K194 PolarHBondContact O-N 2.71Å; S191-A195 PolarHBondContact O-N 3.11Å |
| 192 | N | 76.5 | Confident | 80.9 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | -179.3 | -69.3 | 10.9 | 0 | 0 | 0 | 112.2 | S190 K194 A195 I196 L245 | S190-N192 PolarHBondContact O-N 3.35Å; N192-K194 VanDerWaalsContact C-N 3.34Å; N192-K194 PolarHBondContact O-N 2.98Å; N192-A195 CarbonylContact O-C 3.59Å; N192-A195 PolarHBondContact O-N 2.89Å; N192-I196 WeakPolarHBondContact O-CB 3.49Å; N192-I196 VanDerWaalsContact O-CG1 3.24Å; N192-I196 WeakPolarHBondContact O-CG1 3.42Å; N192-I196 PolarHBondContact O-N 3.39Å; N192-L245 HydrophobicContact CB-CD1 3.82Å |
| 193 | S | 80.4 | Confident | 81.6 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 177.2 | -70.4 | 0 | 0 | 0 | 0 | 112.6 | A184 N187 S190 S191 I196 I197 | A184-S193 WeakPolarHBondContact CA-OG 3.49Å; A184-S193 WeakPolarHBondContact O-CB 3.43Å; A184-S193 PolarHBondContact O-OG 3.44Å; N187-S193 WeakPolarHBondContact O-CB 3.07Å; N187-S193 PolarHBondContact O-OG 3.4Å; S190-S193 PolarHBondContact O-N 2.85Å; S190-S193 WeakPolarHBondContact OG-CB 3.41Å; S190-S193 PolarHBondContact OG-N 3.49Å; S190-S193 PolarHBondContact OG-OG 3.08Å; S191-S193 VanDerWaalsContact C-N 3.34Å; S191-S193 PolarHBondContact O-N 3.41Å; S193-I196 PolarHBondContact O-N 2.98Å; S193-I197 WeakPolarHBondContact O-CG1 3.42Å; S193-I197 PolarHBondContact O-N 3.03Å |
| 194 | K | 83.2 | Confident | 82.3 | Confident | 156 Ų | 156 | 55 Ų | 55 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 176 | -65.7 | -179.2 | -179.7 | 177.2 | 0 | 111.7 | S191 N192 H198 | S191-K194 PolarHBondContact O-N 2.71Å; N192-K194 VanDerWaalsContact C-N 3.34Å; N192-K194 PolarHBondContact O-N 2.98Å; K194-H198 PolarHBondContact O-N 3.11Å |
| 195 | A | 89.7 | Confident | 82.8 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 35% | 0.347 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S191 N192 L199 L241 | S191-A195 PolarHBondContact O-N 3.11Å; N192-A195 CarbonylContact O-C 3.59Å; N192-A195 PolarHBondContact O-N 2.89Å; A195-L199 WeakPolarHBondContact O-CB 3.45Å; A195-L199 PolarHBondContact O-N 2.65Å; A195-L241 HydrophobicContact CB-CD1 4.17Å |
| 196 | I | 90.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 176.4 | -74.6 | 163.3 | 0 | 0 | 0 | 110.6 | A180 A184 N192 S193 L199 C200 L238 L241 L245 | A180-I196 HydrophobicContact CB-CG2 4.06Å; A180-I196 WeakPolarHBondContact O-CG2 3.48Å; A184-I196 HydrophobicContact CB-CB 4.1Å; A184-I196 HydrophobicContact CB-CG2 3.79Å; N192-I196 WeakPolarHBondContact O-CB 3.49Å; N192-I196 VanDerWaalsContact O-CG1 3.24Å; N192-I196 WeakPolarHBondContact O-CG1 3.42Å; N192-I196 PolarHBondContact O-N 3.39Å; S193-I196 PolarHBondContact O-N 2.98Å; I196-L199 PolarHBondContact O-N 3.12Å; I196-C200 PolarHBondContact O-N 3.49Å; I196-C200 PolarHBondContact O-SG 3.42Å; I196-L238 HydrophobicContact CB-CD1 4.43Å; I196-L238 HydrophobicContact CG1-CD1 4.37Å; I196-L238 HydrophobicContact CG2-CD1 3.96Å; I196-L241 HydrophobicContact CD1-CB 4.13Å; I196-L241 HydrophobicContact CG1-CB 3.7Å; I196-L241 HydrophobicContact CG1-CD1 4.29Å; I196-L245 HydrophobicContact CD1-CB 4.38Å; I196-L245 HydrophobicContact CD1-CD2 3.96Å |
| 197 | I | 90.7 | Very high | 84.7 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 31% | 0.308 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -52.6 | 180 | -67.9 | 164.8 | 0 | 0 | 0 | 110.4 | A184 S193 L199 C200 D201 | A184-I197 HydrophobicContact CB-CD1 4.26Å; A184-I197 HydrophobicContact CB-CG1 3.98Å; S193-I197 WeakPolarHBondContact O-CG1 3.42Å; S193-I197 PolarHBondContact O-N 3.03Å; I197-L199 VanDerWaalsContact C-N 3.34Å; I197-L199 PolarHBondContact O-N 2.95Å; I197-C200 WeakPolarHBondContact O-CB 3.44Å; I197-C200 PolarHBondContact O-N 2.93Å; I197-C200 VanDerWaalsContact O-N 3.1Å; I197-D201 PolarHBondContact O-N 3.37Å; I197-D201 VanDerWaalsContact O-N 3.1Å |
| 198 | H | 92.8 | Very high | 85.9 | Confident | 119 Ų | 119 | 60.3 Ų | 60.3 | 55% | 0.551 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.2 | -42.2 | 178.5 | -175.3 | -64.6 | 0 | 0 | 0 | 112.7 | K194 C200 D201 E202 | K194-H198 PolarHBondContact O-N 3.11Å; H198-C200 VanDerWaalsContact C-N 3.29Å; H198-C200 PolarHBondContact O-N 3.47Å; H198-D201 PolarHBondContact O-N 3.08Å; H198-E202 IonicContact CE1-OE1 3.96Å; H198-E202 IonicContact ND1-OE2 3.99Å; H198-E202 PolarHBondContact O-N 3.34Å |
| 199 | L | 95.2 | Very high | 87.1 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.3 | -29.8 | 178.4 | -174.1 | 62 | 0 | 0 | 0 | 112.1 | A195 I196 I197 E202 L203 K234 Q237 L238 L241 | A195-L199 WeakPolarHBondContact O-CB 3.45Å; A195-L199 PolarHBondContact O-N 2.65Å; I196-L199 PolarHBondContact O-N 3.12Å; I197-L199 VanDerWaalsContact C-N 3.34Å; I197-L199 PolarHBondContact O-N 2.95Å; L199-E202 WeakPolarHBondContact CD1-OE2 3.45Å; L199-L203 HydrophobicContact CG-CD1 4.29Å; L199-L203 VanDerWaalsContact O-CB 3.31Å; L199-L203 WeakPolarHBondContact O-CB 3.33Å; L199-L203 WeakPolarHBondContact O-CD1 3.21Å; L199-L203 WeakPolarHBondContact O-CG 3.34Å; L199-L203 PolarHBondContact O-N 2.99Å; L199-K234 HydrophobicContact CD1-CB 3.95Å; L199-K234 HydrophobicContact CD1-CD 4.19Å; L199-K234 HydrophobicContact CD1-CG 3.96Å; L199-Q237 HydrophobicContact CD2-CB 4.05Å; L199-Q237 HydrophobicContact CD2-CG 3.79Å; L199-L238 HydrophobicContact CD2-CB 3.82Å; L199-L238 HydrophobicContact CD2-CD1 4.23Å; L199-L238 HydrophobicContact CG-CB 4.4Å; L199-L241 HydrophobicContact CD2-CD1 3.92Å |
| 200 | C | 95.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.1 | -38 | 172.7 | -67.9 | 0 | 0 | 0 | 0 | 112.2 | L177 K181 I196 I197 H198 L203 N204 | L177-C200 HydrophobicContact CB-CB 4.35Å; L177-C200 HydrophobicContact CD2-CB 4Å; K181-C200 HydrophobicContact CD-CB 4.41Å; K181-C200 HydrophobicContact CG-CB 4.13Å; I196-C200 PolarHBondContact O-N 3.49Å; I196-C200 PolarHBondContact O-SG 3.42Å; I197-C200 WeakPolarHBondContact O-CB 3.44Å; I197-C200 PolarHBondContact O-N 2.93Å; I197-C200 VanDerWaalsContact O-N 3.1Å; H198-C200 VanDerWaalsContact C-N 3.29Å; H198-C200 PolarHBondContact O-N 3.47Å; C200-L203 PolarHBondContact O-N 2.99Å; C200-N204 PolarHBondContact O-N 3.35Å |
| 201 | D | 93.8 | Very high | 89.8 | Confident | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.9 | -45.9 | 177 | -63.5 | -36 | 0 | 0 | 0 | 110.9 | K181 I197 H198 L203 N204 D205 | K181-D201 WeakPolarHBondContact CE-OD1 3.48Å; K181-D201 IonicContact NZ-OD1 2.73Å; K181-D201 PolarHBondContact NZ-OD1 2.68Å; I197-D201 PolarHBondContact O-N 3.37Å; I197-D201 VanDerWaalsContact O-N 3.1Å; H198-D201 PolarHBondContact O-N 3.08Å; D201-L203 VanDerWaalsContact C-N 3.33Å; D201-L203 PolarHBondContact O-N 2.91Å; D201-N204 WeakPolarHBondContact O-CB 3.41Å; D201-N204 PolarHBondContact O-N 3.46Å; D201-D205 PolarHBondContact O-N 3.26Å; D201-D205 VanDerWaalsContact O-N 3.15Å |
| 202 | E | 95.4 | Very high | 90.5 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.9 | -45.4 | 171.1 | -71.2 | -176.7 | 125.4 | 0 | 0 | 112.4 | H198 L199 N204 D205 Y206 K234 | H198-E202 IonicContact CE1-OE1 3.96Å; H198-E202 IonicContact ND1-OE2 3.99Å; H198-E202 PolarHBondContact O-N 3.34Å; L199-E202 WeakPolarHBondContact CD1-OE2 3.45Å; E202-N204 VanDerWaalsContact C-N 3.3Å; E202-N204 PolarHBondContact O-N 3.07Å; E202-D205 PolarHBondContact O-N 3.13Å; E202-Y206 WeakPolarHBondContact O-CD2 3.33Å; E202-Y206 PolarHBondContact O-N 2.67Å; E202-K234 IonicContact OE1-NZ 3.34Å; E202-K234 PolarHBondContact OE1-NZ 3.37Å; E202-K234 IonicContact OE2-NZ 3.83Å; E202-K234 PolarHBondContact OE2-NZ 2.9Å |
| 203 | L | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -36.3 | -179.9 | -82.7 | 168.4 | 0 | 0 | 0 | 112.3 | L177 L199 C200 D201 A207 L231 K234 L235 L238 | L177-L203 HydrophobicContact CD1-CB 4.39Å; L177-L203 HydrophobicContact CD2-CB 3.91Å; L177-L203 HydrophobicContact CD2-CD1 3.94Å; L199-L203 HydrophobicContact CG-CD1 4.29Å; L199-L203 VanDerWaalsContact O-CB 3.31Å; L199-L203 WeakPolarHBondContact O-CB 3.33Å; L199-L203 WeakPolarHBondContact O-CD1 3.21Å; L199-L203 WeakPolarHBondContact O-CG 3.34Å; L199-L203 PolarHBondContact O-N 2.99Å; C200-L203 PolarHBondContact O-N 2.99Å; D201-L203 VanDerWaalsContact C-N 3.33Å; D201-L203 PolarHBondContact O-N 2.91Å; L203-A207 WeakPolarHBondContact O-CB 3.46Å; L203-A207 PolarHBondContact O-N 3.35Å; L203-L231 HydrophobicContact CD2-CD2 3.8Å; L203-L231 WeakPolarHBondContact O-CD2 3.27Å; L203-K234 HydrophobicContact CD2-CB 3.54Å; L203-K234 HydrophobicContact CG-CB 4.06Å; L203-L235 HydrophobicContact CD1-CD1 4.42Å; L203-L235 HydrophobicContact CD2-CB 4.45Å; L203-L238 HydrophobicContact CD1-CB 4.03Å; L203-L238 HydrophobicContact CD1-CD2 3.64Å; L203-L238 HydrophobicContact CD1-CG 4.4Å |
| 204 | N | 94.1 | Very high | 91.2 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 173.2 | 173.7 | 81.3 | 0 | 0 | 0 | 111.4 | L177 C200 D201 E202 A207 Q208 | L177-N204 HydrophobicContact CD1-CB 4.05Å; C200-N204 PolarHBondContact O-N 3.35Å; D201-N204 WeakPolarHBondContact O-CB 3.41Å; D201-N204 PolarHBondContact O-N 3.46Å; E202-N204 VanDerWaalsContact C-N 3.3Å; E202-N204 PolarHBondContact O-N 3.07Å; N204-A207 PolarHBondContact O-N 3Å; N204-A207 VanDerWaalsContact O-N 3.13Å; N204-Q208 WeakPolarHBondContact O-CG 3.37Å; N204-Q208 PolarHBondContact O-N 3.07Å |
| 205 | D | 93.7 | Very high | 91.1 | Very high | 101 Ų | 101 | 49.4 Ų | 49.4 | 54% | 0.54 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67 | -41.6 | -176.4 | -67.3 | -8.5 | 0 | 0 | 0 | 112.4 | D201 E202 A207 S209 | D201-D205 PolarHBondContact O-N 3.26Å; D201-D205 VanDerWaalsContact O-N 3.15Å; E202-D205 PolarHBondContact O-N 3.13Å; D205-A207 VanDerWaalsContact C-N 3.32Å; D205-A207 PolarHBondContact O-N 2.92Å; D205-S209 WeakPolarHBondContact O-CB 3.31Å; D205-S209 PolarHBondContact O-N 2.99Å; D205-S209 VanDerWaalsContact O-N 3.09Å; D205-S209 PolarHBondContact O-OG 3.28Å |
| 206 | Y | 94.3 | Very high | 90.7 | Very high | 85 Ų | 85 | 50 Ų | 50 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.4 | -35.4 | 171 | -76.1 | -67.9 | 0 | 0 | 0 | 112.3 | E202 S209 L210 I227 T230 K234 | E202-Y206 WeakPolarHBondContact O-CD2 3.33Å; E202-Y206 PolarHBondContact O-N 2.67Å; Y206-S209 WeakPolarHBondContact O-CB 3.48Å; Y206-S209 PolarHBondContact O-N 3.41Å; Y206-L210 PolarHBondContact O-N 3.2Å; Y206-I227 HydrophobicContact CD1-CG2 4.23Å; Y206-I227 VanDerWaalsContact O-CG2 3.25Å; Y206-I227 WeakPolarHBondContact O-CG2 3.09Å; Y206-T230 HydrophobicContact CD1-CG2 4.26Å; Y206-T230 HydrophobicContact CD2-CG2 4.43Å; Y206-T230 HydrophobicContact CE1-CG2 3.93Å; Y206-T230 HydrophobicContact CE2-CG2 4.17Å; Y206-T230 HydrophobicContact CG-CG2 4.49Å; Y206-K234 HydrophobicContact CD2-CD 4.07Å; Y206-K234 HydrophobicContact CE2-CD 3.9Å |
| 207 | A | 91.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.1 | -44 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L173 L203 N204 D205 S209 L210 I211 L231 | L173-A207 HydrophobicContact CD2-CB 3.15Å; L203-A207 WeakPolarHBondContact O-CB 3.46Å; L203-A207 PolarHBondContact O-N 3.35Å; N204-A207 PolarHBondContact O-N 3Å; N204-A207 VanDerWaalsContact O-N 3.13Å; D205-A207 VanDerWaalsContact C-N 3.32Å; D205-A207 PolarHBondContact O-N 2.92Å; A207-S209 PolarHBondContact O-N 3.39Å; A207-L210 PolarHBondContact O-N 3.03Å; A207-L210 VanDerWaalsContact O-N 3.14Å; A207-I211 WeakPolarHBondContact O-CB 3.47Å; A207-I211 WeakPolarHBondContact O-CD1 3.24Å; A207-I211 WeakPolarHBondContact O-CG1 3.21Å; A207-I211 PolarHBondContact O-N 2.91Å; A207-L231 HydrophobicContact CB-CD2 4.11Å |
| 208 | Q | 91.6 | Very high | 89.5 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.7 | -35.9 | 173.5 | -70 | -59.7 | -29.2 | 0 | 0 | 111.3 | E170 N204 I211 H212 | E170-Q208 PolarHBondContact OE1-NE2 2.94Å; N204-Q208 WeakPolarHBondContact O-CG 3.37Å; N204-Q208 PolarHBondContact O-N 3.07Å; Q208-I211 PolarHBondContact O-N 3.19Å; Q208-H212 WeakPolarHBondContact O-CB 3.42Å; Q208-H212 PolarHBondContact O-N 3.33Å |
| 209 | S | 91.5 | Very high | 88.5 | Confident | 55 Ų | 55 | 51.3 Ų | 51.3 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 172 | -56 | 0 | 0 | 0 | 0 | 112.8 | D205 Y206 A207 H212 L213 | D205-S209 WeakPolarHBondContact O-CB 3.31Å; D205-S209 PolarHBondContact O-N 2.99Å; D205-S209 VanDerWaalsContact O-N 3.09Å; D205-S209 PolarHBondContact O-OG 3.28Å; Y206-S209 WeakPolarHBondContact O-CB 3.48Å; Y206-S209 PolarHBondContact O-N 3.41Å; A207-S209 PolarHBondContact O-N 3.39Å; S209-H212 PolarHBondContact O-N 3.1Å; S209-L213 PolarHBondContact O-N 2.92Å |
| 210 | L | 89.2 | Confident | 87.6 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 175.2 | 179.8 | 60.6 | 0 | 0 | 0 | 112.2 | Y206 A207 H212 L213 R214 A224 I227 A228 L231 | Y206-L210 PolarHBondContact O-N 3.2Å; A207-L210 PolarHBondContact O-N 3.03Å; A207-L210 VanDerWaalsContact O-N 3.14Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-L213 PolarHBondContact O-N 3.42Å; L210-R214 HydrophobicContact CD1-CG 4.37Å; L210-R214 WeakPolarHBondContact O-CB 3.35Å; L210-R214 WeakPolarHBondContact O-CG 3.32Å; L210-R214 PolarHBondContact O-N 3.17Å; L210-A224 HydrophobicContact CD1-CB 4.14Å; L210-I227 HydrophobicContact CB-CG2 3.9Å; L210-A228 HydrophobicContact CD2-CB 4.25Å; L210-L231 HydrophobicContact CB-CD1 3.96Å; L210-L231 HydrophobicContact CD2-CD1 3.57Å; L210-L231 HydrophobicContact CG-CD1 4.41Å |
| 211 | I | 86.6 | Confident | 86.9 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.4 | -70.4 | 160.6 | 0 | 0 | 0 | 110.2 | W156 E170 A207 Q208 R214 R215 | W156-I211 HydrophobicContact CH2-CD1 3.99Å; W156-I211 HydrophobicContact CH2-CG1 3.8Å; W156-I211 HydrophobicContact CZ2-CD1 4.41Å; W156-I211 HydrophobicContact CZ2-CG1 3.97Å; E170-I211 HydrophobicContact CB-CD1 3.87Å; E170-I211 HydrophobicContact CG-CD1 3.69Å; A207-I211 WeakPolarHBondContact O-CB 3.47Å; A207-I211 WeakPolarHBondContact O-CD1 3.24Å; A207-I211 WeakPolarHBondContact O-CG1 3.21Å; A207-I211 PolarHBondContact O-N 2.91Å; Q208-I211 PolarHBondContact O-N 3.19Å; I211-R214 PolarHBondContact O-N 3.1Å; I211-R215 HydrophobicContact CG2-CG 4.33Å; I211-R215 VanDerWaalsContact CG2-NH1 3.27Å; I211-R215 VanDerWaalsContact O-CB 3.32Å; I211-R215 WeakPolarHBondContact O-CB 3.27Å; I211-R215 VanDerWaalsContact O-CG 3.28Å; I211-R215 WeakPolarHBondContact O-CG 3.4Å; I211-R215 PolarHBondContact O-N 2.95Å |
| 212 | H | 87.8 | Confident | 86.6 | Confident | 135 Ų | 135 | 58.9 Ų | 58.9 | 63% | 0.625 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 173.9 | -176.5 | -90.5 | 0 | 0 | 0 | 112.2 | Q208 S209 L210 R215 S216 | Q208-H212 WeakPolarHBondContact O-CB 3.42Å; Q208-H212 PolarHBondContact O-N 3.33Å; S209-H212 PolarHBondContact O-N 3.1Å; L210-H212 VanDerWaalsContact C-N 3.34Å; H212-R215 PolarHBondContact O-N 3.28Å; H212-S216 WeakPolarHBondContact O-CB 3.27Å; H212-S216 PolarHBondContact O-N 3.34Å; H212-S216 PolarHBondContact O-OG 2.74Å |
| 213 | L | 86.3 | Confident | 86.3 | Confident | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 175.6 | -71.6 | 172.2 | 0 | 0 | 0 | 112.7 | S209 L210 S216 G217 H218 G219 E223 A224 I227 | S209-L213 PolarHBondContact O-N 2.92Å; L210-L213 PolarHBondContact O-N 3.42Å; L213-S216 WeakPolarHBondContact CA-OG 3.28Å; L213-S216 PolarHBondContact O-OG 2.95Å; L213-G217 PolarHBondContact O-N 3.22Å; L213-H218 HydrophobicContact CD2-CB 4.17Å; L213-H218 CarbonylContact O-C 3.4Å; L213-H218 WeakPolarHBondContact O-CA 3.25Å; L213-H218 PolarHBondContact O-N 3.48Å; L213-G219 PolarHBondContact O-N 3.33Å; L213-G219 VanDerWaalsContact O-N 3.13Å; L213-E223 HydrophobicContact CD1-CB 4.42Å; L213-E223 HydrophobicContact CD1-CG 3.94Å; L213-A224 HydrophobicContact CB-CB 4.19Å; L213-A224 HydrophobicContact CD1-CB 3.97Å; L213-I227 HydrophobicContact CD1-CD1 3.82Å |
| 214 | R | 85.3 | Confident | 85.9 | Confident | 28 Ų | 28 | 62 Ų | 62 | 11% | 0.106 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 173.6 | -75.3 | 177.6 | 170.7 | 171.7 | -4.1 | 111.4 | W156 I157 D159 M166 L210 I211 S216 G217 | W156-R214 PolarHBondContact O-NH1 2.98Å; W156-R214 PolarHBondContact O-NH2 3.44Å; I157-R214 PolarHBondContact O-NH2 3.07Å; D159-R214 PolarHBondContact O-NH2 3.47Å; M166-R214 HydrophobicContact SD-CB 4.25Å; L210-R214 HydrophobicContact CD1-CG 4.37Å; L210-R214 WeakPolarHBondContact O-CB 3.35Å; L210-R214 WeakPolarHBondContact O-CG 3.32Å; L210-R214 PolarHBondContact O-N 3.17Å; I211-R214 PolarHBondContact O-N 3.1Å; R214-S216 VanDerWaalsContact C-N 3.3Å; R214-S216 PolarHBondContact O-N 3.09Å; R214-G217 PolarHBondContact O-N 3.25Å; R214-G217 VanDerWaalsContact O-N 3.09Å |
| 215 | R | 81 | Confident | 85.7 | Confident | 133 Ų | 133 | 62.7 Ų | 62.7 | 50% | 0.502 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -32.7 | 177.7 | -74.1 | 177.3 | -179.9 | 151.6 | 9.7 | 113.3 | M166 E170 I211 H212 G217 | M166-R215 HydrophobicContact CE-CG 3.74Å; M166-R215 HydrophobicContact SD-CG 3.59Å; M166-R215 VanDerWaalsContact SD-CG 3.59Å; E170-R215 IonicContact OE2-CZ 2.67Å; E170-R215 IonicContact OE2-NH1 2.69Å; E170-R215 IonicContact OE2-NH2 3.64Å; E170-R215 PolarHBondContact OE2-NH2 2.92Å; I211-R215 HydrophobicContact CG2-CG 4.33Å; I211-R215 VanDerWaalsContact CG2-NH1 3.27Å; I211-R215 VanDerWaalsContact O-CB 3.32Å; I211-R215 WeakPolarHBondContact O-CB 3.27Å; I211-R215 VanDerWaalsContact O-CG 3.28Å; I211-R215 WeakPolarHBondContact O-CG 3.4Å; I211-R215 PolarHBondContact O-N 2.95Å; H212-R215 PolarHBondContact O-N 3.28Å; R215-G217 VanDerWaalsContact C-N 3.3Å; R215-G217 PolarHBondContact O-N 3.3Å |
| 216 | S | 82.5 | Confident | 85.6 | Confident | 54 Ų | 54 | 64 Ų | 64 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 11.7 | 176.2 | 57.4 | 0 | 0 | 0 | 0 | 114.2 | H212 L213 R214 H218 | H212-S216 WeakPolarHBondContact O-CB 3.27Å; H212-S216 PolarHBondContact O-N 3.34Å; H212-S216 PolarHBondContact O-OG 2.74Å; L213-S216 WeakPolarHBondContact CA-OG 3.28Å; L213-S216 PolarHBondContact O-OG 2.95Å; R214-S216 VanDerWaalsContact C-N 3.3Å; R214-S216 PolarHBondContact O-N 3.09Å; S216-H218 PolarHBondContact O-N 3.06Å; S216-H218 PolarHBondContact O-ND1 3.42Å |
| 217 | G | 77.5 | Confident | 85.5 | Confident | 70 Ų | 70 | 60.8 Ų | 60.8 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 1.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L213 R214 R215 | L213-G217 PolarHBondContact O-N 3.22Å; R214-G217 PolarHBondContact O-N 3.25Å; R214-G217 VanDerWaalsContact O-N 3.09Å; R215-G217 VanDerWaalsContact C-N 3.3Å; R215-G217 PolarHBondContact O-N 3.3Å |
| 218 | H | 78.6 | Confident | 85.5 | Confident | 125 Ų | 125 | 61.3 Ų | 61.3 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | trans | -95.3 | 12.5 | -178.4 | -69.2 | 75.3 | 0 | 0 | 0 | 113.2 | L213 S216 N220 G221 A224 | L213-H218 HydrophobicContact CD2-CB 4.17Å; L213-H218 CarbonylContact O-C 3.4Å; L213-H218 WeakPolarHBondContact O-CA 3.25Å; L213-H218 PolarHBondContact O-N 3.48Å; S216-H218 PolarHBondContact O-N 3.06Å; S216-H218 PolarHBondContact O-ND1 3.42Å; H218-N220 PolarHBondContact O-N 2.98Å; H218-N220 VanDerWaalsContact O-N 3.08Å; H218-G221 PolarHBondContact O-N 3.25Å; H218-A224 WeakPolarHBondContact O-CB 3.28Å | ||
| 219 | G | 70.7 | Confident | 85.6 | Confident | 11 Ų | 11 | 63 Ų | 63 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L213 A224 | L213-G219 PolarHBondContact O-N 3.33Å; L213-G219 VanDerWaalsContact O-N 3.13Å; G219-A224 WeakPolarHBondContact O-CB 3.41Å |
| 220 | N | 76.8 | Confident | 85.7 | Confident | 94 Ų | 94 | 61.7 Ų | 61.7 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 2.2 | 175.2 | -74.1 | -8.7 | 0 | 0 | 0 | 113.8 | S160 N161 H218 N225 | S160-N220 VanDerWaalsContact C-OD1 3.29Å; S160-N220 WeakPolarHBondContact CB-OD1 3.39Å; S160-N220 PolarHBondContact O-OD1 2.96Å; N161-N220 PolarHBondContact OD1-ND2 2.65Å; H218-N220 PolarHBondContact O-N 2.98Å; H218-N220 VanDerWaalsContact O-N 3.08Å; N220-N225 PolarHBondContact O-ND2 2.92Å |
| 221 | G | 81.7 | Confident | 85.9 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -70.2 | 161.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H218 E223 A224 N225 | H218-G221 PolarHBondContact O-N 3.25Å; G221-E223 VanDerWaalsContact C-N 3.26Å; G221-E223 PolarHBondContact O-N 3.35Å; G221-A224 PolarHBondContact O-N 2.99Å; G221-N225 PolarHBondContact O-N 2.82Å; G221-N225 PolarHBondContact O-ND2 2.68Å |
| 222 | S | 86.8 | Confident | 86.3 | Confident | 111 Ų | 111 | 63 Ų | 63 | 78% | 0.776 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59 | -37.5 | 176.6 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | H226 | S222-H226 WeakPolarHBondContact O-CB 3.41Å; S222-H226 PolarHBondContact O-N 2.73Å |
| 223 | E | 89 | Confident | 86.7 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.1 | -49.6 | 174.8 | -173.7 | 178.9 | -172 | 0 | 0 | 112.2 | L213 G221 N225 H226 I227 | L213-E223 HydrophobicContact CD1-CB 4.42Å; L213-E223 HydrophobicContact CD1-CG 3.94Å; G221-E223 VanDerWaalsContact C-N 3.26Å; G221-E223 PolarHBondContact O-N 3.35Å; E223-N225 VanDerWaalsContact C-N 3.32Å; E223-N225 PolarHBondContact O-N 3.36Å; E223-H226 WeakPolarHBondContact O-CB 3.49Å; E223-H226 PolarHBondContact O-N 3.3Å; E223-I227 HydrophobicContact CG-CD1 4.34Å; E223-I227 WeakPolarHBondContact O-CG1 3.46Å; E223-I227 PolarHBondContact O-N 3.02Å |
| 224 | A | 87.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L210 L213 H218 G219 G221 H226 I227 A228 | L210-A224 HydrophobicContact CD1-CB 4.14Å; L213-A224 HydrophobicContact CB-CB 4.19Å; L213-A224 HydrophobicContact CD1-CB 3.97Å; H218-A224 WeakPolarHBondContact O-CB 3.28Å; G219-A224 WeakPolarHBondContact O-CB 3.41Å; G221-A224 PolarHBondContact O-N 2.99Å; A224-H226 PolarHBondContact O-N 3.3Å; A224-I227 PolarHBondContact O-N 3.05Å; A224-A228 WeakPolarHBondContact O-CB 2.8Å; A224-A228 PolarHBondContact O-N 3.46Å |
| 225 | N | 89 | Confident | 87.6 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 35% | 0.353 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 173 | -76.3 | -75.4 | 0 | 0 | 0 | 112.5 | N220 G221 E223 N229 | N220-N225 PolarHBondContact O-ND2 2.92Å; G221-N225 PolarHBondContact O-N 2.82Å; G221-N225 PolarHBondContact O-ND2 2.68Å; E223-N225 VanDerWaalsContact C-N 3.32Å; E223-N225 PolarHBondContact O-N 3.36Å; N225-N229 WeakPolarHBondContact O-CB 3.41Å; N225-N229 PolarHBondContact O-N 3.11Å; N225-N229 PolarHBondContact O-ND2 3.08Å |
| 226 | H | 91.9 | Very high | 88.2 | Confident | 128 Ų | 128 | 57.8 Ų | 57.8 | 59% | 0.593 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.5 | -42.5 | 175.8 | -179.2 | 58.1 | 0 | 0 | 0 | 111.9 | S222 E223 A224 N229 T230 | S222-H226 WeakPolarHBondContact O-CB 3.41Å; S222-H226 PolarHBondContact O-N 2.73Å; E223-H226 WeakPolarHBondContact O-CB 3.49Å; E223-H226 PolarHBondContact O-N 3.3Å; A224-H226 PolarHBondContact O-N 3.3Å; H226-N229 PolarHBondContact O-N 3.39Å; H226-T230 WeakPolarHBondContact O-CB 3.49Å; H226-T230 PolarHBondContact O-N 3.4Å; H226-T230 PolarHBondContact O-OG1 3.24Å |
| 227 | I | 92.9 | Very high | 88.8 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 9% | 0.092 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 175 | -64.8 | 176.3 | 0 | 0 | 0 | 110.8 | Y206 L210 L213 E223 A224 N229 T230 L231 | Y206-I227 HydrophobicContact CD1-CG2 4.23Å; Y206-I227 VanDerWaalsContact O-CG2 3.25Å; Y206-I227 WeakPolarHBondContact O-CG2 3.09Å; L210-I227 HydrophobicContact CB-CG2 3.9Å; L213-I227 HydrophobicContact CD1-CD1 3.82Å; E223-I227 HydrophobicContact CG-CD1 4.34Å; E223-I227 WeakPolarHBondContact O-CG1 3.46Å; E223-I227 PolarHBondContact O-N 3.02Å; A224-I227 PolarHBondContact O-N 3.05Å; I227-N229 PolarHBondContact O-N 3.42Å; I227-T230 WeakPolarHBondContact O-CB 3.2Å; I227-T230 PolarHBondContact O-N 2.9Å; I227-T230 VanDerWaalsContact O-N 3.15Å; I227-L231 HydrophobicContact CG2-CD1 4Å; I227-L231 HydrophobicContact CG2-CG 4.43Å; I227-L231 WeakPolarHBondContact O-CB 3.4Å; I227-L231 WeakPolarHBondContact O-CG 3.31Å; I227-L231 PolarHBondContact O-N 2.56Å |
| 228 | A | 91.5 | Very high | 89.6 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I157 L210 A224 T230 L231 S232 | I157-A228 HydrophobicContact CG2-CB 4.06Å; I157-A228 WeakPolarHBondContact CG2-O 3.34Å; L210-A228 HydrophobicContact CD2-CB 4.25Å; A224-A228 WeakPolarHBondContact O-CB 2.8Å; A224-A228 PolarHBondContact O-N 3.46Å; A228-T230 VanDerWaalsContact C-N 3.31Å; A228-T230 PolarHBondContact O-N 2.77Å; A228-L231 PolarHBondContact O-N 3.25Å; A228-S232 WeakPolarHBondContact O-CB 3.28Å; A228-S232 PolarHBondContact O-N 2.98Å |
| 229 | N | 92.8 | Very high | 90.3 | Very high | 105 Ų | 105 | 51.7 Ų | 51.7 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 173.7 | -77.7 | -57 | 0 | 0 | 0 | 112.3 | N225 H226 I227 T233 | N225-N229 WeakPolarHBondContact O-CB 3.41Å; N225-N229 PolarHBondContact O-N 3.11Å; N225-N229 PolarHBondContact O-ND2 3.08Å; H226-N229 PolarHBondContact O-N 3.39Å; I227-N229 PolarHBondContact O-N 3.42Å; N229-T233 WeakPolarHBondContact O-CB 3.39Å; N229-T233 PolarHBondContact O-N 2.92Å; N229-T233 PolarHBondContact O-OG1 3.48Å |
| 230 | T | 94.7 | Very high | 91.3 | Very high | 28 Ų | 28 | 59.2 Ų | 59.2 | 17% | 0.172 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -45 | 177 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | Y206 H226 I227 A228 T233 K234 | Y206-T230 HydrophobicContact CD1-CG2 4.26Å; Y206-T230 HydrophobicContact CD2-CG2 4.43Å; Y206-T230 HydrophobicContact CE1-CG2 3.93Å; Y206-T230 HydrophobicContact CE2-CG2 4.17Å; Y206-T230 HydrophobicContact CG-CG2 4.49Å; H226-T230 WeakPolarHBondContact O-CB 3.49Å; H226-T230 PolarHBondContact O-N 3.4Å; H226-T230 PolarHBondContact O-OG1 3.24Å; I227-T230 WeakPolarHBondContact O-CB 3.2Å; I227-T230 PolarHBondContact O-N 2.9Å; I227-T230 VanDerWaalsContact O-N 3.15Å; A228-T230 VanDerWaalsContact C-N 3.31Å; A228-T230 PolarHBondContact O-N 2.77Å; T230-T233 PolarHBondContact O-N 3.26Å; T230-K234 HydrophobicContact CG2-CD 4.31Å; T230-K234 WeakPolarHBondContact O-CB 3.37Å; T230-K234 PolarHBondContact O-N 3.49Å |
| 231 | L | 94.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57 | -51.4 | 172.3 | -80.8 | 164.9 | 0 | 0 | 0 | 111.5 | I157 L203 A207 L210 I227 A228 T233 K234 L235 | I157-L231 HydrophobicContact CD1-CB 4.03Å; I157-L231 HydrophobicContact CG1-CB 4.32Å; I157-L231 HydrophobicContact CG2-CB 4.05Å; L203-L231 HydrophobicContact CD2-CD2 3.8Å; L203-L231 WeakPolarHBondContact O-CD2 3.27Å; A207-L231 HydrophobicContact CB-CD2 4.11Å; L210-L231 HydrophobicContact CB-CD1 3.96Å; L210-L231 HydrophobicContact CD2-CD1 3.57Å; L210-L231 HydrophobicContact CG-CD1 4.41Å; I227-L231 HydrophobicContact CG2-CD1 4Å; I227-L231 HydrophobicContact CG2-CG 4.43Å; I227-L231 WeakPolarHBondContact O-CB 3.4Å; I227-L231 WeakPolarHBondContact O-CG 3.31Å; I227-L231 PolarHBondContact O-N 2.56Å; A228-L231 PolarHBondContact O-N 3.25Å; L231-T233 VanDerWaalsContact C-N 3.29Å; L231-T233 PolarHBondContact O-N 3.37Å; L231-K234 PolarHBondContact O-N 3.32Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 2.94Å |
| 232 | S | 94.3 | Very high | 92.2 | Very high | 30 Ų | 30 | 54.7 Ų | 54.7 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | A228 N236 | A228-S232 WeakPolarHBondContact O-CB 3.28Å; A228-S232 PolarHBondContact O-N 2.98Å; S232-N236 WeakPolarHBondContact O-CB 3.44Å; S232-N236 PolarHBondContact O-N 3.36Å; S232-N236 PolarHBondContact O-ND2 3.5Å |
| 233 | T | 95.3 | Very high | 92.1 | Very high | 97 Ų | 97 | 54.7 Ų | 54.7 | 60% | 0.595 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65 | -47.5 | 177.4 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | N229 T230 L231 N236 Q237 | N229-T233 WeakPolarHBondContact O-CB 3.39Å; N229-T233 PolarHBondContact O-N 2.92Å; N229-T233 PolarHBondContact O-OG1 3.48Å; T230-T233 PolarHBondContact O-N 3.26Å; L231-T233 VanDerWaalsContact C-N 3.29Å; L231-T233 PolarHBondContact O-N 3.37Å; T233-N236 PolarHBondContact O-N 3.37Å; T233-Q237 PolarHBondContact O-N 2.78Å |
| 234 | K | 95.6 | Very high | 91.6 | Very high | 34 Ų | 34 | 52.8 Ų | 52.8 | 15% | 0.148 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.6 | -32.9 | 178 | -77.6 | 179.5 | 174.9 | -79.4 | 0 | 112.8 | L199 E202 L203 Y206 T230 L231 Q237 L238 | L199-K234 HydrophobicContact CD1-CB 3.95Å; L199-K234 HydrophobicContact CD1-CD 4.19Å; L199-K234 HydrophobicContact CD1-CG 3.96Å; E202-K234 IonicContact OE1-NZ 3.34Å; E202-K234 PolarHBondContact OE1-NZ 3.37Å; E202-K234 IonicContact OE2-NZ 3.83Å; E202-K234 PolarHBondContact OE2-NZ 2.9Å; L203-K234 HydrophobicContact CD2-CB 3.54Å; L203-K234 HydrophobicContact CG-CB 4.06Å; Y206-K234 HydrophobicContact CD2-CD 4.07Å; Y206-K234 HydrophobicContact CE2-CD 3.9Å; T230-K234 HydrophobicContact CG2-CD 4.31Å; T230-K234 WeakPolarHBondContact O-CB 3.37Å; T230-K234 PolarHBondContact O-N 3.49Å; L231-K234 PolarHBondContact O-N 3.32Å; K234-Q237 WeakPolarHBondContact O-CB 3.47Å; K234-Q237 PolarHBondContact O-N 3.38Å; K234-L238 PolarHBondContact O-N 2.96Å |
| 235 | L | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 175.2 | -170.7 | 72.5 | 0 | 0 | 0 | 111.2 | L150 V153 I157 L173 V176 L203 L231 Q237 L238 S239 | L150-L235 HydrophobicContact CD1-CD1 4.01Å; L150-L235 HydrophobicContact CD1-CD2 3.98Å; L150-L235 HydrophobicContact CD1-CG 3.76Å; V153-L235 HydrophobicContact CB-CD2 4.3Å; V153-L235 HydrophobicContact CG1-CD1 4.45Å; V153-L235 HydrophobicContact CG1-CD2 3.79Å; I157-L235 HydrophobicContact CD1-CD2 3.78Å; L173-L235 HydrophobicContact CD1-CD1 4.43Å; V176-L235 HydrophobicContact CG1-CD1 4.19Å; L203-L235 HydrophobicContact CD1-CD1 4.42Å; L203-L235 HydrophobicContact CD2-CB 4.45Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 2.94Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; L235-L238 PolarHBondContact O-N 3.5Å; L235-S239 WeakPolarHBondContact O-CB 3.26Å; L235-S239 PolarHBondContact O-N 3.44Å |
| 236 | N | 94.1 | Very high | 90.3 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 170.4 | -84.7 | -80.9 | 0 | 0 | 0 | 112.3 | S232 T233 R240 | S232-N236 WeakPolarHBondContact O-CB 3.44Å; S232-N236 PolarHBondContact O-N 3.36Å; S232-N236 PolarHBondContact O-ND2 3.5Å; T233-N236 PolarHBondContact O-N 3.37Å; N236-R240 WeakPolarHBondContact O-CG 3.36Å; N236-R240 PolarHBondContact O-N 3.06Å; N236-R240 VanDerWaalsContact O-N 3.12Å |
| 237 | Q | 94.5 | Very high | 88.9 | Confident | 96 Ų | 96 | 49.4 Ų | 49.4 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 171.7 | -176.9 | -177.6 | -8.6 | 0 | 0 | 111.8 | L199 T233 K234 L235 S239 R240 L241 | L199-Q237 HydrophobicContact CD2-CB 4.05Å; L199-Q237 HydrophobicContact CD2-CG 3.79Å; T233-Q237 PolarHBondContact O-N 2.78Å; K234-Q237 WeakPolarHBondContact O-CB 3.47Å; K234-Q237 PolarHBondContact O-N 3.38Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; Q237-S239 PolarHBondContact O-N 3.06Å; Q237-R240 PolarHBondContact O-N 3.41Å; Q237-L241 HydrophobicContact CG-CD1 4.49Å; Q237-L241 PolarHBondContact O-N 3.15Å |
| 238 | L | 94.6 | Very high | 87 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 175.9 | -176.8 | 65.6 | 0 | 0 | 0 | 111.2 | F146 L177 A180 I196 L199 L203 K234 L235 R240 L241 C242 | F146-L238 HydrophobicContact CE2-CD2 3.82Å; F146-L238 HydrophobicContact CE2-CG 3.94Å; F146-L238 HydrophobicContact CZ-CD2 4.39Å; F146-L238 HydrophobicContact CZ-CG 4.17Å; L177-L238 HydrophobicContact CD2-CD2 3.86Å; A180-L238 HydrophobicContact CB-CD1 4.09Å; A180-L238 HydrophobicContact CB-CD2 4.1Å; A180-L238 HydrophobicContact CB-CG 4.34Å; I196-L238 HydrophobicContact CB-CD1 4.43Å; I196-L238 HydrophobicContact CG1-CD1 4.37Å; I196-L238 HydrophobicContact CG2-CD1 3.96Å; L199-L238 HydrophobicContact CD2-CB 3.82Å; L199-L238 HydrophobicContact CD2-CD1 4.23Å; L199-L238 HydrophobicContact CG-CB 4.4Å; L203-L238 HydrophobicContact CD1-CB 4.03Å; L203-L238 HydrophobicContact CD1-CD2 3.64Å; L203-L238 HydrophobicContact CD1-CG 4.4Å; K234-L238 PolarHBondContact O-N 2.96Å; L235-L238 PolarHBondContact O-N 3.5Å; L238-R240 VanDerWaalsContact C-N 3.31Å; L238-R240 PolarHBondContact O-N 3.41Å; L238-L241 PolarHBondContact O-N 3.04Å; L238-C242 WeakPolarHBondContact O-CB 3.47Å; L238-C242 PolarHBondContact O-N 3.39Å; L238-C242 PolarHBondContact O-SG 3.14Å |
| 239 | S | 93 | Very high | 84.7 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -37.2 | 176 | 175.8 | 0 | 0 | 0 | 0 | 112.9 | L150 L235 Q237 K243 | L150-S239 WeakPolarHBondContact CD2-OG 3.23Å; L235-S239 WeakPolarHBondContact O-CB 3.26Å; L235-S239 PolarHBondContact O-N 3.44Å; Q237-S239 PolarHBondContact O-N 3.06Å; S239-K243 VanDerWaalsContact O-CB 3.28Å; S239-K243 WeakPolarHBondContact O-CB 3.22Å; S239-K243 PolarHBondContact O-N 3.02Å; S239-K243 VanDerWaalsContact O-N 3.07Å |
| 240 | R | 91.2 | Very high | 81.9 | Confident | 169 Ų | 169 | 57.6 Ų | 57.6 | 64% | 0.638 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.2 | -54.7 | 172.2 | -69.6 | 172 | -166.2 | 173.6 | 4.9 | 110.7 | N236 Q237 L238 C242 K243 D244 | N236-R240 WeakPolarHBondContact O-CG 3.36Å; N236-R240 PolarHBondContact O-N 3.06Å; N236-R240 VanDerWaalsContact O-N 3.12Å; Q237-R240 PolarHBondContact O-N 3.41Å; L238-R240 VanDerWaalsContact C-N 3.31Å; L238-R240 PolarHBondContact O-N 3.41Å; R240-C242 VanDerWaalsContact C-N 3.28Å; R240-C242 PolarHBondContact O-N 3.31Å; R240-K243 CarbonylContact O-C 3.6Å; R240-K243 WeakPolarHBondContact O-CA 3.38Å; R240-K243 WeakPolarHBondContact O-CB 3.39Å; R240-K243 PolarHBondContact O-N 2.92Å; R240-D244 PolarHBondContact O-N 3.43Å |
| 241 | L | 89.5 | Confident | 78.8 | Confident | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.1 | -40.7 | 179.6 | -69.4 | 174.1 | 0 | 0 | 0 | 113.1 | A195 I196 L199 Q237 L238 K243 D244 L245 | A195-L241 HydrophobicContact CB-CD1 4.17Å; I196-L241 HydrophobicContact CD1-CB 4.13Å; I196-L241 HydrophobicContact CG1-CB 3.7Å; I196-L241 HydrophobicContact CG1-CD1 4.29Å; L199-L241 HydrophobicContact CD2-CD1 3.92Å; Q237-L241 HydrophobicContact CG-CD1 4.49Å; Q237-L241 PolarHBondContact O-N 3.15Å; L238-L241 PolarHBondContact O-N 3.04Å; L241-K243 VanDerWaalsContact C-N 3.34Å; L241-D244 PolarHBondContact O-N 2.92Å; L241-L245 WeakPolarHBondContact O-CB 3.31Å; L241-L245 PolarHBondContact O-N 2.89Å |
| 242 | C | 87.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.1 | -30.6 | 175.7 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | K143 F146 L183 L238 R240 S246 | K143-C242 HydrophobicContact CD-CB 4.13Å; K143-C242 WeakPolarHBondContact CD-O 3.35Å; K143-C242 WeakPolarHBondContact CE-O 3.39Å; F146-C242 HydrophobicContact CE1-CB 4.29Å; F146-C242 HydrophobicContact CZ-CB 4.3Å; L183-C242 HydrophobicContact CD2-CB 3.68Å; L238-C242 WeakPolarHBondContact O-CB 3.47Å; L238-C242 PolarHBondContact O-N 3.39Å; L238-C242 PolarHBondContact O-SG 3.14Å; R240-C242 VanDerWaalsContact C-N 3.28Å; R240-C242 PolarHBondContact O-N 3.31Å; C242-S246 WeakPolarHBondContact O-CB 3.48Å; C242-S246 PolarHBondContact O-N 3.49Å |
| 243 | K | 84.6 | Confident | 72.6 | Confident | 112 Ų | 112 | 68.4 Ų | 68.4 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.5 | -44 | 172.8 | -178.2 | -179.9 | 175.9 | -175.9 | 0 | 111.1 | K143 S239 R240 L241 L245 S246 L247 | K143-K243 VanDerWaalsContact CE-CA 3.5Å; S239-K243 VanDerWaalsContact O-CB 3.28Å; S239-K243 WeakPolarHBondContact O-CB 3.22Å; S239-K243 PolarHBondContact O-N 3.02Å; S239-K243 VanDerWaalsContact O-N 3.07Å; R240-K243 CarbonylContact O-C 3.6Å; R240-K243 WeakPolarHBondContact O-CA 3.38Å; R240-K243 WeakPolarHBondContact O-CB 3.39Å; R240-K243 PolarHBondContact O-N 2.92Å; L241-K243 VanDerWaalsContact C-N 3.34Å; K243-L245 VanDerWaalsContact C-N 3.32Å; K243-L245 PolarHBondContact O-N 3.48Å; K243-S246 CarbonylContact O-C 3.59Å; K243-S246 PolarHBondContact O-N 3.21Å; K243-L247 HydrophobicContact CD-CD1 4.14Å; K243-L247 HydrophobicContact CG-CD1 3.67Å; K243-L247 HydrophobicContact CG-CG 4.14Å; K243-L247 WeakPolarHBondContact O-CB 3.36Å; K243-L247 WeakPolarHBondContact O-CG 3.44Å; K243-L247 PolarHBondContact O-N 2.96Å |
| 244 | D | 79.7 | Confident | 69.3 | Low | 81 Ų | 81 | 66.1 Ų | 66.1 | 43% | 0.433 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.3 | -30.7 | -178.6 | -54.8 | -24.1 | 0 | 0 | 0 | 111.7 | R240 L241 S246 | R240-D244 PolarHBondContact O-N 3.43Å; L241-D244 PolarHBondContact O-N 2.92Å; D244-S246 VanDerWaalsContact C-N 3.31Å |
| 245 | L | 78.2 | Confident | 66.1 | Low | 6 Ų | 6 | 71.1 Ų | 71.1 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.7 | -31.9 | 169.7 | -162.3 | 77.6 | 0 | 0 | 0 | 112.2 | L183 N187 S190 N192 I196 L241 K243 | L183-L245 HydrophobicContact CD2-CB 4.31Å; L183-L245 HydrophobicContact CD2-CD2 3.77Å; L183-L245 HydrophobicContact CG-CD2 3.96Å; L183-L245 WeakPolarHBondContact O-CD2 3.13Å; N187-L245 HydrophobicContact CB-CD1 4.14Å; N187-L245 HydrophobicContact CB-CD2 4.22Å; N187-L245 HydrophobicContact CB-CG 4.42Å; S190-L245 WeakPolarHBondContact OG-CD1 3.48Å; N192-L245 HydrophobicContact CB-CD1 3.82Å; I196-L245 HydrophobicContact CD1-CB 4.38Å; I196-L245 HydrophobicContact CD1-CD2 3.96Å; L241-L245 WeakPolarHBondContact O-CB 3.31Å; L241-L245 PolarHBondContact O-N 2.89Å; K243-L245 VanDerWaalsContact C-N 3.32Å; K243-L245 PolarHBondContact O-N 3.48Å |
| 246 | S | 71.1 | Confident | 62.9 | Low | 18 Ų | 18 | 73.6 Ų | 73.6 | 13% | 0.126 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -96.3 | -4.3 | -175.5 | -169.5 | 0 | 0 | 0 | 0 | 114.6 | C242 K243 D244 | C242-S246 WeakPolarHBondContact O-CB 3.48Å; C242-S246 PolarHBondContact O-N 3.49Å; K243-S246 CarbonylContact O-C 3.59Å; K243-S246 PolarHBondContact O-N 3.21Å; D244-S246 VanDerWaalsContact C-N 3.31Å |
| 247 | L | 61.8 | Low | 59.9 | Low | 100 Ų | 100 | 77.4 Ų | 77.4 | 52% | 0.524 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -119.4 | 27.6 | 178.8 | -71.3 | -173.8 | 0 | 0 | 0 | 112.2 | K243 D249 | K243-L247 HydrophobicContact CD-CD1 4.14Å; K243-L247 HydrophobicContact CG-CD1 3.67Å; K243-L247 HydrophobicContact CG-CG 4.14Å; K243-L247 WeakPolarHBondContact O-CB 3.36Å; K243-L247 WeakPolarHBondContact O-CG 3.44Å; K243-L247 PolarHBondContact O-N 2.96Å; L247-D249 PolarHBondContact O-N 3.28Å |
| 248 | R | 53.8 | Low | 57.2 | Low | 121 Ų | 121 | 80.5 Ų | 80.5 | 46% | 0.457 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 23.2 | -161.2 | -149 | -172.1 | 155 | -150 | -13.3 | 115.4 | ||
| 249 | D | 42 | Very low | 54.3 | Low | 102 Ų | 102 | 84.8 Ų | 84.8 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -49.3 | 170.2 | -61.8 | -55.9 | 0 | 0 | 0 | 112.1 | L247 C263 | L247-D249 PolarHBondContact O-N 3.28Å; D249-C263 WeakPolarHBondContact OD1-CB 3.43Å; D249-C263 PolarHBondContact OD1-SG 3.32Å |
| 250 | N | 34.1 | Very low | 51.6 | Low | 84 Ų | 84 | 90.6 Ų | 90.6 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -114.2 | 10.8 | -151 | -97 | -24.3 | 0 | 0 | 0 | 119 | E1040 | N250-E1040 PolarHBondContact ND2-OE1 2.58Å; N250-E1040 VanDerWaalsContact ND2-OE1 3.1Å |
| 251 | T | 29.6 | Very low | 49.1 | Very low | 141 Ų | 141 | 86.5 Ų | 86.5 | 87% | 0.865 | 50% | 0.501 | S | S | * | . | trans | -138.4 | 84.7 | 174.7 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 252 | G | 32 | Very low | 46.8 | Very low | 49 Ų | 49 | 87.7 Ų | 87.7 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | trans | -162.7 | 38.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | G254 | G252-G254 PolarHBondContact O-N 3.21Š| ||
| 253 | G | 26.3 | Very low | 44.7 | Very low | 97 Ų | 97 | 90.4 Ų | 90.4 | 100% | 1 | 53% | 0.528 | S | S | * | . | trans | -65.1 | 84.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 254 | G | 26.5 | Very low | 43 | Very low | 49 Ų | 49 | 86 Ų | 86 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | S | Bend | trans | 179.4 | 108.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G252 | G252-G254 PolarHBondContact O-N 3.21Š|
| 255 | V | 28.2 | Very low | 41.5 | Very low | 139 Ų | 139 | 83.2 Ų | 83.2 | 84% | 0.842 | 50% | 0.496 | S | S | * | . | trans | 67.7 | 121.2 | 175.5 | -167 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 256 | G | 28.1 | Very low | 40.3 | Very low | 52 Ų | 52 | 84.1 Ų | 84.1 | 54% | 0.536 | 50% | 0.501 | S | S | . | . | trans | -86.9 | -161.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q258 | G256-Q258 PolarHBondContact O-N 3.11Š| ||
| 257 | D | 32.2 | Very low | 39.8 | Very low | 157 Ų | 157 | 85.2 Ų | 85.2 | 84% | 0.84 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 62.3 | 4.2 | 163.8 | -50.3 | -15.6 | 0 | 0 | 0 | 118.6 | ||
| 258 | Q | 36.1 | Very low | 39.9 | Very low | 161 Ų | 161 | 82.4 Ų | 82.4 | 75% | 0.752 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -134.7 | -9.9 | 170.2 | -66.8 | -171.5 | 0.1 | 0 | 0 | 115.7 | G256 H261 | G256-Q258 PolarHBondContact O-N 3.11Å; Q258-H261 PolarHBondContact O-CD2 3.34Å |
| 259 | Q | 33.8 | Very low | 40.8 | Very low | 90 Ų | 90 | 79.1 Ų | 79.1 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -87.4 | -24.4 | -172.6 | -64.1 | -172 | 28.5 | 0 | 0 | 114.6 | H261 T262 | Q259-H261 PolarHBondContact O-N 2.93Å; Q259-H261 VanDerWaalsContact O-N 3.13Å; Q259-T262 PolarHBondContact O-N 3.01Å; Q259-T262 PolarHBondContact O-OG1 3.18Å |
| 260 | H | 36.3 | Very low | 42.2 | Very low | 147 Ų | 147 | 75 Ų | 75 | 68% | 0.681 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.5 | 179.7 | -74.3 | -64.8 | 0 | 0 | 0 | 114.6 | ||
| 261 | H | 39.3 | Very low | 44 | Very low | 82 Ų | 82 | 73.4 Ų | 73.4 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -21.1 | -179 | -49.4 | -51.2 | 0 | 0 | 0 | 113.9 | Q258 Q259 | Q258-H261 PolarHBondContact O-CD2 3.34Å; Q259-H261 PolarHBondContact O-N 2.93Å; Q259-H261 VanDerWaalsContact O-N 3.13Å |
| 262 | T | 42 | Very low | 46.1 | Very low | 53 Ų | 53 | 67.1 Ų | 67.1 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -83.2 | -23.1 | -170.8 | 48.8 | 0 | 0 | 0 | 0 | 114.9 | Q259 R268 | Q259-T262 PolarHBondContact O-N 3.01Å; Q259-T262 PolarHBondContact O-OG1 3.18Å; T262-R268 PolarHBondContact O-NE 3.41Å; T262-R268 VanDerWaalsContact O-NE 3.07Å; T262-R268 PolarHBondContact O-NH2 3.08Å |
| 263 | C | 42.9 | Very low | 48.5 | Very low | 58 Ų | 58 | 65.2 Ų | 65.2 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -100.4 | 3.4 | -173.8 | -52.9 | 0 | 0 | 0 | 0 | 113.5 | D249 | D249-C263 WeakPolarHBondContact OD1-CB 3.43Å; D249-C263 PolarHBondContact OD1-SG 3.32Å |
| 264 | N | 48.5 | Very low | 51.1 | Low | 19 Ų | 19 | 63.1 Ų | 63.1 | 10% | 0.102 | 35% | 0.349 | C | S | . | . | trans | -102.1 | 113.1 | 173.9 | -171.5 | -28.2 | 0 | 0 | 0 | 109.7 | L266 F267 Q1050 | N264-L266 PolarHBondContact O-N 2.98Å; N264-L266 VanDerWaalsContact O-N 3.08Å; N264-L266 VanDerWaalsContact OD1-CB 3.25Å; N264-L266 WeakPolarHBondContact OD1-CB 3.45Å; N264-L266 PolarHBondContact OD1-N 2.97Å; N264-L266 VanDerWaalsContact OD1-N 3.14Å; N264-F267 HydrophobicContact CB-CD2 3.76Å; N264-F267 HydrophobicContact CB-CE2 4.36Å; N264-F267 PolarHBondContact O-N 3.25Å; N264-Q1050 PolarHBondContact OD1-NE2 3.28Å | ||
| 265 | P | 49.7 | Very low | 53.5 | Low | 22 Ų | 22 | 61.6 Ų | 61.6 | 14% | 0.143 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -52.1 | -35.3 | -178.5 | -29.4 | 35.1 | 0 | 0 | 0 | 114 | F132 D133 F267 R268 | F132-P265 HydrophobicContact CB-CB 3.55Å; F132-P265 HydrophobicContact CB-CG 4.41Å; F132-P265 WeakPolarHBondContact O-CB 3.42Å; D133-P265 HydrophobicContact CB-CB 3.75Å; D133-P265 HydrophobicContact CB-CG 3.82Å; D133-P265 WeakPolarHBondContact OD2-CG 3.49Å; P265-F267 PolarHBondContact O-N 2.69Å; P265-R268 PolarHBondContact O-N 3.4Å |
| 266 | L | 51.2 | Low | 56.1 | Low | 26 Ų | 26 | 56.3 Ų | 56.3 | 14% | 0.136 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -65 | -11.7 | -177.1 | -138.4 | 150.8 | 0 | 0 | 0 | 112.8 | N264 L291 | N264-L266 PolarHBondContact O-N 2.98Å; N264-L266 VanDerWaalsContact O-N 3.08Å; N264-L266 VanDerWaalsContact OD1-CB 3.25Å; N264-L266 WeakPolarHBondContact OD1-CB 3.45Å; N264-L266 PolarHBondContact OD1-N 2.97Å; N264-L266 VanDerWaalsContact OD1-N 3.14Å; L266-L291 HydrophobicContact CD2-CD1 3.51Å; L266-L291 HydrophobicContact CD2-CD2 3.58Å; L266-L291 HydrophobicContact CD2-CG 4.17Å |
| 267 | F | 61 | Low | 58.9 | Low | 41 Ų | 41 | 54 Ų | 54 | 18% | 0.18 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -108.5 | 7.5 | 177.7 | -67.9 | -102.4 | 0 | 0 | 0 | 114 | N264 P265 P290 L291 V294 | N264-F267 HydrophobicContact CB-CD2 3.76Å; N264-F267 HydrophobicContact CB-CE2 4.36Å; N264-F267 PolarHBondContact O-N 3.25Å; P265-F267 PolarHBondContact O-N 2.69Å; F267-P290 HydrophobicContact CE1-CB 4.12Å; F267-P290 HydrophobicContact CZ-CB 4.07Å; F267-L291 HydrophobicContact CD1-CD2 4.16Å; F267-L291 HydrophobicContact CD2-CD2 4.39Å; F267-L291 HydrophobicContact CE1-CD2 3.94Å; F267-L291 HydrophobicContact CE2-CD2 4.18Å; F267-L291 HydrophobicContact CG-CD2 4.4Å; F267-L291 HydrophobicContact CZ-CD2 3.97Å; F267-V294 HydrophobicContact CB-CG2 4.42Å; F267-V294 WeakPolarHBondContact O-CG2 3.32Å |
| 268 | R | 64.9 | Low | 61.2 | Low | 41 Ų | 41 | 50.6 Ų | 50.6 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -95 | 156.2 | 176.1 | -65.4 | -177.5 | 179.7 | -175.4 | 5.5 | 111.9 | D133 T262 P265 Q279 V294 | D133-R268 WeakPolarHBondContact OD1-CD 3.47Å; D133-R268 IonicContact OD1-CZ 3.71Å; D133-R268 IonicContact OD1-NE 2.71Å; D133-R268 IonicContact OD1-NH1 3.99Å; D133-R268 PolarHBondContact OD1-NH1 3.26Å; D133-R268 IonicContact OD2-CZ 3.13Å; D133-R268 IonicContact OD2-NE 2.73Å; D133-R268 PolarHBondContact OD2-NE 3.45Å; D133-R268 IonicContact OD2-NH1 3.4Å; D133-R268 PolarHBondContact OD2-NH1 3.12Å; D133-R268 IonicContact OD2-NH2 2.94Å; T262-R268 PolarHBondContact O-NE 3.41Å; T262-R268 VanDerWaalsContact O-NE 3.07Å; T262-R268 PolarHBondContact O-NH2 3.08Å; P265-R268 PolarHBondContact O-N 3.4Å; R268-Q279 PolarHBondContact O-NE2 2.83Å; R268-V294 WeakPolarHBondContact O-CG1 3.39Å |
| 269 | L | 71.8 | Confident | 63.2 | Low | 52 Ų | 52 | 45 Ų | 45 | 27% | 0.272 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -85.1 | 124 | -179.9 | -179.8 | 69.4 | 0 | 0 | 0 | 109.8 | K276 E297 A298 | L269-K276 HydrophobicContact CD1-CG 4.04Å; L269-E297 HydrophobicContact CD2-CG 4.4Å; L269-A298 HydrophobicContact CD1-CB 3.85Å |
| 270 | A | 72.2 | Confident | 65.8 | Low | 14 Ų | 14 | 40.8 Ų | 40.8 | 12% | 0.116 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 147.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G275 K276 | A270-G275 VanDerWaalsContact CB-C 3.49Å; A270-K276 HydrophobicContact CB-CG 4.42Å; A270-K276 WeakPolarHBondContact O-CE 3.5Å |
| 271 | R | 71.3 | Confident | 68.1 | Low | 51 Ų | 51 | 35.3 Ų | 35.3 | 19% | 0.192 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -76.4 | -27.1 | -177.2 | -67.1 | 170.5 | 70.5 | -147 | -1.8 | 113.4 | D134 D135 D457 | D134-R271 HydrophobicContact CB-CG 3.94Å; D134-R271 WeakPolarHBondContact O-CD 3.29Å; D134-R271 WeakPolarHBondContact OD2-CB 3.49Å; D135-R271 WeakPolarHBondContact OD1-CD 3.19Å; D135-R271 WeakPolarHBondContact OD1-CG 3.42Å; R271-D457 IonicContact CZ-OD1 2.84Å; R271-D457 IonicContact CZ-OD2 3.62Å; R271-D457 IonicContact NH1-OD1 3.86Å; R271-D457 IonicContact NH1-OD2 2.79Å; R271-D457 PolarHBondContact NH1-OD2 3.26Å; R271-D457 VanDerWaalsContact NH2-CG 3.34Å; R271-D457 IonicContact NH2-OD1 3.92Å; R271-D457 PolarHBondContact NH2-OD1 2.99Å; R271-D457 IonicContact NH2-OD2 2.69Å; R271-D457 PolarHBondContact NH2-OD2 2.94Å; R271-D457 VanDerWaalsContact NH2-OD2 3.13Å |
| 272 | T | 73.4 | Confident | 70 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -95.7 | 155.6 | 178.8 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | E274 G275 K276 A447 | T272-E274 VanDerWaalsContact C-N 3.34Å; T272-G275 PolarHBondContact O-N 2.9Å; T272-G275 PolarHBondContact OG1-N 2.79Å; T272-K276 VanDerWaalsContact O-CG 3.29Å; T272-K276 WeakPolarHBondContact O-CG 3.47Å; T272-K276 PolarHBondContact O-N 3.37Å; T272-A447 WeakPolarHBondContact CA-O 3.4Å |
| 273 | L | 82.1 | Confident | 72 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.7 | -33.1 | 175.3 | -67.6 | 165.8 | 0 | 0 | 0 | 111.9 | K276 L277 L302 I309 W382 L385 A447 T448 | L273-K276 HydrophobicContact CD2-CD 4.3Å; L273-K276 PolarHBondContact O-N 2.93Å; L273-L277 PolarHBondContact O-N 3.16Å; L273-L302 HydrophobicContact CD2-CB 4.43Å; L273-L302 HydrophobicContact CD2-CG 4.38Å; L273-I309 HydrophobicContact CD1-CD1 3.51Å; L273-W382 HydrophobicContact CB-CZ3 4Å; L273-L385 HydrophobicContact CD1-CD1 4.42Å; L273-A447 WeakPolarHBondContact CG-O 3.32Å; L273-A447 PolarHBondContact N-O 3.47Å; L273-T448 HydrophobicContact CD1-CG2 3.9Å |
| 274 | E | 81.8 | Confident | 74.2 | Confident | 52 Ų | 52 | 30.4 Ų | 30.4 | 24% | 0.243 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 170 | -170.2 | 171 | -153.8 | 0 | 0 | 111.9 | T272 K276 L277 V278 W382 T448 | T272-E274 VanDerWaalsContact C-N 3.34Å; E274-K276 VanDerWaalsContact C-N 3.29Å; E274-K276 PolarHBondContact O-N 3.04Å; E274-L277 WeakPolarHBondContact O-CB 3.47Å; E274-L277 PolarHBondContact O-N 2.82Å; E274-L277 VanDerWaalsContact O-N 3.08Å; E274-V278 WeakPolarHBondContact O-CG2 3.33Å; E274-V278 PolarHBondContact O-N 3.33Å; E274-W382 HydrophobicContact CB-CH2 3.6Å; E274-W382 HydrophobicContact CB-CZ2 4.01Å; E274-W382 HydrophobicContact CB-CZ3 4.28Å; E274-W382 HydrophobicContact CG-CH2 4.19Å; E274-W382 HydrophobicContact CG-CZ2 4.07Å; E274-T448 WeakPolarHBondContact CB-O 3.49Å; E274-T448 PolarHBondContact N-O 3Å; E274-T448 VanDerWaalsContact N-O 3.13Å |
| 275 | G | 76.5 | Confident | 75.7 | Confident | 18 Ų | 18 | 31.9 Ų | 31.9 | 19% | 0.186 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A270 T272 V278 Q279 | A270-G275 VanDerWaalsContact CB-C 3.49Å; T272-G275 PolarHBondContact O-N 2.9Å; T272-G275 PolarHBondContact OG1-N 2.79Å; G275-V278 PolarHBondContact O-N 3.27Å; G275-Q279 WeakPolarHBondContact O-CG 3.48Å; G275-Q279 PolarHBondContact O-N 3.19Å |
| 276 | K | 82.9 | Confident | 77 | Confident | 27 Ų | 27 | 34.4 Ų | 34.4 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 173.3 | -68.7 | 168.3 | -170.2 | -174.7 | 0 | 112.1 | L269 A270 T272 L273 E274 V278 Q279 A280 A298 S301 L302 | L269-K276 HydrophobicContact CD1-CG 4.04Å; A270-K276 HydrophobicContact CB-CG 4.42Å; A270-K276 WeakPolarHBondContact O-CE 3.5Å; T272-K276 VanDerWaalsContact O-CG 3.29Å; T272-K276 WeakPolarHBondContact O-CG 3.47Å; T272-K276 PolarHBondContact O-N 3.37Å; L273-K276 HydrophobicContact CD2-CD 4.3Å; L273-K276 PolarHBondContact O-N 2.93Å; E274-K276 VanDerWaalsContact C-N 3.29Å; E274-K276 PolarHBondContact O-N 3.04Å; K276-V278 VanDerWaalsContact C-N 3.34Å; K276-Q279 PolarHBondContact O-N 3.47Å; K276-A280 VanDerWaalsContact O-CB 3.26Å; K276-A280 WeakPolarHBondContact O-CB 3.18Å; K276-A280 PolarHBondContact O-N 3.43Å; K276-A298 HydrophobicContact CB-CB 4.2Å; K276-A298 WeakPolarHBondContact O-CB 3.42Å; K276-S301 PolarHBondContact NZ-OG 2.95Å; K276-L302 HydrophobicContact CB-CB 4.32Å; K276-L302 HydrophobicContact CB-CD1 4.49Å |
| 277 | L | 86.6 | Confident | 78.7 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 174.1 | -177.4 | 64.7 | 0 | 0 | 0 | 111 | L273 E274 A280 Q281 L302 L378 W382 V1103 | L273-L277 PolarHBondContact O-N 3.16Å; E274-L277 WeakPolarHBondContact O-CB 3.47Å; E274-L277 PolarHBondContact O-N 2.82Å; E274-L277 VanDerWaalsContact O-N 3.08Å; L277-A280 PolarHBondContact O-N 3.12Å; L277-Q281 HydrophobicContact CD1-CG 4.45Å; L277-Q281 WeakPolarHBondContact O-CB 3.48Å; L277-Q281 WeakPolarHBondContact O-CG 3.32Å; L277-Q281 PolarHBondContact O-N 2.89Å; L277-L302 HydrophobicContact CB-CD1 3.71Å; L277-L302 HydrophobicContact CD1-CD1 4.01Å; L277-L302 HydrophobicContact CG-CD1 4.47Å; L277-L378 HydrophobicContact CD1-CB 3.75Å; L277-L378 HydrophobicContact CD1-CD1 4.47Å; L277-L378 HydrophobicContact CD1-CD2 4.47Å; L277-L378 HydrophobicContact CD1-CG 4.47Å; L277-W382 HydrophobicContact CD2-CB 3.79Å; L277-W382 HydrophobicContact CD2-CD2 3.7Å; L277-W382 HydrophobicContact CD2-CE3 4.21Å; L277-W382 HydrophobicContact CD2-CG 3.46Å; L277-W382 VanDerWaalsContact CD2-CG 3.46Å; L277-V1103 HydrophobicContact CD2-CG1 4.06Å |
| 278 | V | 80.6 | Confident | 79.7 | Confident | 86 Ų | 86 | 36.9 Ų | 36.9 | 52% | 0.521 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.8 | -44 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | E274 G275 K276 Q281 R282 | E274-V278 WeakPolarHBondContact O-CG2 3.33Å; E274-V278 PolarHBondContact O-N 3.33Å; G275-V278 PolarHBondContact O-N 3.27Å; K276-V278 VanDerWaalsContact C-N 3.34Å; V278-Q281 PolarHBondContact O-N 3.49Å; V278-R282 VanDerWaalsContact O-CB 3.26Å; V278-R282 WeakPolarHBondContact O-CB 3.26Å; V278-R282 PolarHBondContact O-N 3Å |
| 279 | Q | 77.8 | Confident | 80.1 | Confident | 45 Ų | 45 | 35.4 Ų | 35.4 | 21% | 0.21 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.4 | -73.9 | -177.7 | -19.1 | 0 | 0 | 112.7 | R268 G275 K276 R282 W283 A298 | R268-Q279 PolarHBondContact O-NE2 2.83Å; G275-Q279 WeakPolarHBondContact O-CG 3.48Å; G275-Q279 PolarHBondContact O-N 3.19Å; K276-Q279 PolarHBondContact O-N 3.47Å; Q279-R282 PolarHBondContact O-N 2.88Å; Q279-W283 PolarHBondContact O-N 3.09Å; Q279-A298 HydrophobicContact CB-CB 3.93Å |
| 280 | A | 88.4 | Confident | 80 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -52.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | K276 L277 R282 W283 L284 A298 C299 L378 | K276-A280 VanDerWaalsContact O-CB 3.26Å; K276-A280 WeakPolarHBondContact O-CB 3.18Å; K276-A280 PolarHBondContact O-N 3.43Å; L277-A280 PolarHBondContact O-N 3.12Å; A280-R282 VanDerWaalsContact C-N 3.31Å; A280-R282 PolarHBondContact O-N 3.16Å; A280-W283 WeakPolarHBondContact O-CB 3.37Å; A280-W283 PolarHBondContact O-N 3.08Å; A280-W283 VanDerWaalsContact O-N 3.07Å; A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 3.43Å; A280-A298 HydrophobicContact CB-CB 4.22Å; A280-C299 VanDerWaalsContact CB-SG 3.59Å; A280-L378 HydrophobicContact CB-CD1 3.78Å |
| 281 | Q | 86.2 | Confident | 80 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -36.4 | 179.5 | -71.4 | 179.7 | 13 | 0 | 0 | 112.9 | L277 V278 W283 L284 A285 | L277-Q281 HydrophobicContact CD1-CG 4.45Å; L277-Q281 WeakPolarHBondContact O-CB 3.48Å; L277-Q281 WeakPolarHBondContact O-CG 3.32Å; L277-Q281 PolarHBondContact O-N 2.89Å; V278-Q281 PolarHBondContact O-N 3.49Å; Q281-W283 VanDerWaalsContact C-N 3.28Å; Q281-W283 PolarHBondContact O-N 2.78Å; Q281-L284 PolarHBondContact O-N 3.01Å; Q281-L284 VanDerWaalsContact O-N 3.15Å; Q281-A285 PolarHBondContact O-N 3.38Å |
| 282 | R | 78.9 | Confident | 80.5 | Confident | 82 Ų | 82 | 35.7 Ų | 35.7 | 31% | 0.309 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.3 | -34.7 | 174 | -173.4 | 174.3 | -177.6 | 158 | 1.3 | 112.4 | V278 Q279 A280 L291 A928 Q1054 | V278-R282 VanDerWaalsContact O-CB 3.26Å; V278-R282 WeakPolarHBondContact O-CB 3.26Å; V278-R282 PolarHBondContact O-N 3Å; Q279-R282 PolarHBondContact O-N 2.88Å; A280-R282 VanDerWaalsContact C-N 3.31Å; A280-R282 PolarHBondContact O-N 3.16Å; R282-L291 HydrophobicContact CG-CD1 4.24Å; R282-A928 VanDerWaalsContact NH2-CB 3.29Å; R282-Q1054 VanDerWaalsContact NH1-OE1 3.09Å |
| 283 | W | 84.2 | Confident | 80.9 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.8 | -39.7 | 170.2 | 167.4 | 49.3 | 0 | 0 | 0 | 112.7 | Q279 A280 Q281 A285 D286 P287 R292 L296 L351 F352 | Q279-W283 PolarHBondContact O-N 3.09Å; A280-W283 WeakPolarHBondContact O-CB 3.37Å; A280-W283 PolarHBondContact O-N 3.08Å; A280-W283 VanDerWaalsContact O-N 3.07Å; Q281-W283 VanDerWaalsContact C-N 3.28Å; Q281-W283 PolarHBondContact O-N 2.78Å; W283-A285 PolarHBondContact O-N 3.42Å; W283-D286 CarbonylContact O-C 3.58Å; W283-D286 PolarHBondContact O-N 3.46Å; W283-D286 VanDerWaalsContact O-O 3.06Å; W283-P287 PolarHBondContact NE1-O 2.92Å; W283-P287 VanDerWaalsContact NE1-O 3.11Å; W283-P287 WeakPolarHBondContact O-CA 3.32Å; W283-R292 VanDerWaalsContact CD1-CA 3.41Å; W283-L296 HydrophobicContact CH2-CB 4.22Å; W283-L296 HydrophobicContact CH2-CD1 4.19Å; W283-L296 HydrophobicContact CZ3-CB 4.27Å; W283-L296 HydrophobicContact CZ3-CD1 4.48Å; W283-L351 HydrophobicContact CH2-CB 4.44Å; W283-L351 HydrophobicContact CH2-CD2 4.19Å; W283-L351 HydrophobicContact CH2-CG 4.4Å; W283-L351 HydrophobicContact CZ2-CB 4.5Å; W283-L351 HydrophobicContact CZ2-CD2 4.09Å; W283-L351 HydrophobicContact CZ2-CG 4.09Å; W283-F352 HydrophobicContact CH2-CB 4.31Å; W283-F352 HydrophobicContact CZ2-CB 4.02Å; W283-F352 HydrophobicContact CZ2-CD2 4.24Å |
| 284 | L | 87.8 | Confident | 80.8 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -21.8 | 178.2 | -60.1 | 173.1 | 0 | 0 | 0 | 112.6 | A280 Q281 L351 A371 I374 S375 L378 | A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 3.43Å; Q281-L284 PolarHBondContact O-N 3.01Å; Q281-L284 VanDerWaalsContact O-N 3.15Å; L284-L351 HydrophobicContact CD2-CD2 3.59Å; L284-A371 HydrophobicContact CB-CB 4.3Å; L284-A371 HydrophobicContact CD2-CB 4.29Å; L284-I374 HydrophobicContact CD1-CB 3.92Å; L284-I374 HydrophobicContact CD1-CG2 3.66Å; L284-I374 HydrophobicContact CD2-CB 4.04Å; L284-I374 HydrophobicContact CD2-CD1 3.75Å; L284-I374 HydrophobicContact CD2-CG2 4.1Å; L284-S375 WeakPolarHBondContact CD1-OG 3.29Å; L284-L378 HydrophobicContact CD1-CD1 3.67Å |
| 285 | A | 80.3 | Confident | 81 | Confident | 51 Ų | 51 | 39.2 Ų | 39.2 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -19.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q281 W283 | Q281-A285 PolarHBondContact O-N 3.38Å; W283-A285 PolarHBondContact O-N 3.42Å |
| 286 | D | 78.3 | Confident | 81.6 | Confident | 74 Ų | 74 | 38.9 Ų | 38.9 | 40% | 0.396 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -145.8 | 80.7 | 171.8 | 179.3 | 5.1 | 0 | 0 | 0 | 110.5 | W283 R288 G289 | W283-D286 CarbonylContact O-C 3.58Å; W283-D286 PolarHBondContact O-N 3.46Å; W283-D286 VanDerWaalsContact O-O 3.06Å; D286-R288 PolarHBondContact O-N 2.97Å; D286-R288 PolarHBondContact OD1-N 3.37Å; D286-G289 PolarHBondContact O-N 3.24Å; D286-G289 PolarHBondContact OD1-N 3Å; D286-G289 WeakPolarHBondContact OD2-CA 3.47Å |
| 287 | P | 85.1 | Confident | 81.9 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12 | -171.6 | -27.1 | 37.1 | 0 | 0 | 0 | 115.5 | W283 L351 S355 A371 | W283-P287 PolarHBondContact NE1-O 2.92Å; W283-P287 VanDerWaalsContact NE1-O 3.11Å; W283-P287 WeakPolarHBondContact O-CA 3.32Å; P287-L351 HydrophobicContact CB-CD1 4.01Å; P287-L351 HydrophobicContact CB-CD2 4.22Å; P287-L351 HydrophobicContact CB-CG 4.24Å; P287-L351 HydrophobicContact CG-CD1 4.42Å; P287-L351 HydrophobicContact CG-CD2 4.37Å; P287-S355 VanDerWaalsContact O-CB 3.29Å; P287-S355 WeakPolarHBondContact O-CB 3.29Å; P287-S355 PolarHBondContact O-OG 3.18Å; P287-A371 HydrophobicContact CG-CB 4.27Å |
| 288 | R | 83.6 | Confident | 81.9 | Confident | 100 Ų | 100 | 41.5 Ų | 41.5 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -14.6 | -175.1 | -58.5 | -175.8 | 90.3 | -137.3 | 5.4 | 112.8 | D286 S355 Q357 | D286-R288 PolarHBondContact O-N 2.97Å; D286-R288 PolarHBondContact OD1-N 3.37Å; R288-S355 PolarHBondContact NE-O 2.86Å; R288-Q357 PolarHBondContact NH2-O 3.25Å |
| 289 | G | 73.3 | Confident | 82.5 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -63.9 | 171.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | D286 L291 R292 | D286-G289 PolarHBondContact O-N 3.24Å; D286-G289 PolarHBondContact OD1-N 3Å; D286-G289 WeakPolarHBondContact OD2-CA 3.47Å; G289-L291 PolarHBondContact O-N 2.97Å; G289-L291 VanDerWaalsContact O-N 3.08Å; G289-R292 WeakPolarHBondContact O-CB 3.4Å; G289-R292 PolarHBondContact O-N 2.73Å |
| 290 | P | 68.6 | Low | 83.1 | Confident | 31 Ų | 31 | 39 Ų | 39 | 20% | 0.201 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.2 | -169.2 | 24.3 | -34.8 | 0 | 0 | 0 | 114.1 | F267 R292 E918 | F267-P290 HydrophobicContact CE1-CB 4.12Å; F267-P290 HydrophobicContact CZ-CB 4.07Å; P290-R292 VanDerWaalsContact C-N 3.28Å; P290-R292 PolarHBondContact O-N 3.26Å; P290-E918 HydrophobicContact CB-CG 4.28Å |
| 291 | L | 71.8 | Confident | 83 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.9 | -175.6 | -49.9 | -177.2 | 0 | 0 | 0 | 113.9 | L266 F267 R282 G289 H293 V294 G295 | L266-L291 HydrophobicContact CD2-CD1 3.51Å; L266-L291 HydrophobicContact CD2-CD2 3.58Å; L266-L291 HydrophobicContact CD2-CG 4.17Å; F267-L291 HydrophobicContact CD1-CD2 4.16Å; F267-L291 HydrophobicContact CD2-CD2 4.39Å; F267-L291 HydrophobicContact CE1-CD2 3.94Å; F267-L291 HydrophobicContact CE2-CD2 4.18Å; F267-L291 HydrophobicContact CG-CD2 4.4Å; F267-L291 HydrophobicContact CZ-CD2 3.97Å; R282-L291 HydrophobicContact CG-CD1 4.24Å; G289-L291 PolarHBondContact O-N 2.97Å; G289-L291 VanDerWaalsContact O-N 3.08Å; L291-H293 PolarHBondContact O-N 2.81Å; L291-H293 VanDerWaalsContact O-N 3.09Å; L291-V294 PolarHBondContact O-N 3.15Å; L291-G295 PolarHBondContact O-N 2.83Å |
| 292 | R | 81.9 | Confident | 83.2 | Confident | 59 Ų | 59 | 38.6 Ų | 38.6 | 22% | 0.223 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.9 | -32.9 | -172.1 | 64.4 | 173.7 | -168.5 | -134.3 | -4.7 | 115.5 | W283 G289 P290 L296 F352 | W283-R292 VanDerWaalsContact CD1-CA 3.41Å; G289-R292 WeakPolarHBondContact O-CB 3.4Å; G289-R292 PolarHBondContact O-N 2.73Å; P290-R292 VanDerWaalsContact C-N 3.28Å; P290-R292 PolarHBondContact O-N 3.26Å; R292-L296 WeakPolarHBondContact O-CB 3.5Å; R292-L296 PolarHBondContact O-N 3.13Å; R292-L296 VanDerWaalsContact O-N 3.13Å; R292-F352 HydrophobicContact CB-CD2 4.35Å; R292-F352 HydrophobicContact CB-CE2 4.17Å; R292-F352 HydrophobicContact CG-CD2 4.48Å; R292-F352 HydrophobicContact CG-CE2 3.87Å |
| 293 | H | 83.3 | Confident | 83.8 | Confident | 127 Ų | 127 | 34.7 Ų | 34.7 | 59% | 0.588 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -71.7 | -40.4 | 179.6 | -63.2 | -92.7 | 0 | 0 | 0 | 111.5 | L291 E297 F352 | L291-H293 PolarHBondContact O-N 2.81Å; L291-H293 VanDerWaalsContact O-N 3.09Å; H293-E297 PolarHBondContact O-N 3.12Å; H293-F352 AromaticContact CE1-CZ 3.89Å; H293-F352 AromaticContact ND1-CE2 3.9Å; H293-F352 AromaticContact ND1-CZ 3.53Å |
| 294 | V | 79.8 | Confident | 84 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 11% | 0.109 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.9 | -40.7 | 177.7 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | F267 R268 L291 L296 E297 A298 | F267-V294 HydrophobicContact CB-CG2 4.42Å; F267-V294 WeakPolarHBondContact O-CG2 3.32Å; R268-V294 WeakPolarHBondContact O-CG1 3.39Å; L291-V294 PolarHBondContact O-N 3.15Å; V294-L296 PolarHBondContact O-N 3.3Å; V294-E297 PolarHBondContact O-N 2.88Å; V294-A298 VanDerWaalsContact O-CB 3.23Å; V294-A298 WeakPolarHBondContact O-CB 3.43Å; V294-A298 PolarHBondContact O-N 3.44Å |
| 295 | G | 84.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L291 C299 | L291-G295 PolarHBondContact O-N 2.83Å; G295-C299 PolarHBondContact O-N 3.46Å; G295-C299 PolarHBondContact O-SG 3Å |
| 296 | L | 90.7 | Very high | 84.1 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 173.6 | 176.5 | 63.3 | 0 | 0 | 0 | 111.5 | W283 R292 V294 A298 C299 R300 S348 F352 | W283-L296 HydrophobicContact CH2-CB 4.22Å; W283-L296 HydrophobicContact CH2-CD1 4.19Å; W283-L296 HydrophobicContact CZ3-CB 4.27Å; W283-L296 HydrophobicContact CZ3-CD1 4.48Å; R292-L296 WeakPolarHBondContact O-CB 3.5Å; R292-L296 PolarHBondContact O-N 3.13Å; R292-L296 VanDerWaalsContact O-N 3.13Å; V294-L296 PolarHBondContact O-N 3.3Å; L296-A298 VanDerWaalsContact C-N 3.31Å; L296-A298 PolarHBondContact O-N 3.32Å; L296-C299 WeakPolarHBondContact O-CB 3.37Å; L296-C299 PolarHBondContact O-N 3.43Å; L296-R300 PolarHBondContact O-N 3.09Å; L296-R300 VanDerWaalsContact O-N 3.14Å; L296-S348 WeakPolarHBondContact CD1-OG 3.31Å; L296-F352 HydrophobicContact CB-CD2 4.11Å; L296-F352 HydrophobicContact CD1-CB 4.48Å; L296-F352 HydrophobicContact CD2-CB 4.1Å; L296-F352 HydrophobicContact CD2-CD1 4.13Å; L296-F352 HydrophobicContact CD2-CD2 3.77Å; L296-F352 HydrophobicContact CD2-CE2 4.18Å; L296-F352 HydrophobicContact CD2-CG 3.74Å; L296-F352 HydrophobicContact CG-CD2 4.5Å |
| 297 | E | 87.3 | Confident | 84.6 | Confident | 85 Ų | 85 | 38 Ų | 38 | 40% | 0.397 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.3 | -30.2 | -179.5 | -161.2 | 55.8 | -150.7 | 0 | 0 | 112.1 | L269 H293 V294 R300 S301 | L269-E297 HydrophobicContact CD2-CG 4.4Å; H293-E297 PolarHBondContact O-N 3.12Å; V294-E297 PolarHBondContact O-N 2.88Å; E297-R300 PolarHBondContact O-N 3.49Å; E297-R300 WeakPolarHBondContact OE2-CD 3.45Å; E297-R300 IonicContact OE2-NH1 3.93Å; E297-R300 PolarHBondContact OE2-NH1 2.81Å; E297-S301 WeakPolarHBondContact O-CB 3.47Å; E297-S301 PolarHBondContact O-N 3.45Å |
| 298 | A | 87.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L269 K276 Q279 A280 V294 L296 L302 | L269-A298 HydrophobicContact CD1-CB 3.85Å; K276-A298 HydrophobicContact CB-CB 4.2Å; K276-A298 WeakPolarHBondContact O-CB 3.42Å; Q279-A298 HydrophobicContact CB-CB 3.93Å; A280-A298 HydrophobicContact CB-CB 4.22Å; V294-A298 VanDerWaalsContact O-CB 3.23Å; V294-A298 WeakPolarHBondContact O-CB 3.43Å; V294-A298 PolarHBondContact O-N 3.44Å; L296-A298 VanDerWaalsContact C-N 3.31Å; L296-A298 PolarHBondContact O-N 3.32Å; A298-L302 WeakPolarHBondContact O-CB 3.29Å; A298-L302 PolarHBondContact O-N 2.71Å |
| 299 | C | 93 | Very high | 84.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.4 | -49.1 | 172.8 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | A280 G295 L296 A303 V344 | A280-C299 VanDerWaalsContact CB-SG 3.59Å; G295-C299 PolarHBondContact O-N 3.46Å; G295-C299 PolarHBondContact O-SG 3Å; L296-C299 WeakPolarHBondContact O-CB 3.37Å; L296-C299 PolarHBondContact O-N 3.43Å; C299-A303 WeakPolarHBondContact O-CB 3.38Å; C299-A303 PolarHBondContact O-N 2.98Å; C299-V344 HydrophobicContact CB-CG1 3.73Å |
| 300 | R | 90.9 | Very high | 84.7 | Confident | 80 Ų | 80 | 36.5 Ų | 36.5 | 30% | 0.302 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.7 | -49.8 | 179 | -69.8 | 170.8 | 173.8 | 163.2 | -4.5 | 112.6 | L296 E297 L302 A303 Q304 E345 D349 | L296-R300 PolarHBondContact O-N 3.09Å; L296-R300 VanDerWaalsContact O-N 3.14Å; E297-R300 PolarHBondContact O-N 3.49Å; E297-R300 WeakPolarHBondContact OE2-CD 3.45Å; E297-R300 IonicContact OE2-NH1 3.93Å; E297-R300 PolarHBondContact OE2-NH1 2.81Å; R300-L302 VanDerWaalsContact C-N 3.28Å; R300-L302 PolarHBondContact O-N 3.08Å; R300-A303 PolarHBondContact O-N 3.44Å; R300-Q304 WeakPolarHBondContact O-CB 3.34Å; R300-Q304 PolarHBondContact O-N 3.19Å; R300-E345 HydrophobicContact CG-CG 4.45Å; R300-D349 IonicContact CZ-OD1 3.9Å; R300-D349 IonicContact CZ-OD2 2.73Å; R300-D349 IonicContact NE-OD2 3.71Å; R300-D349 IonicContact NH2-OD1 2.64Å; R300-D349 PolarHBondContact NH2-OD1 2.96Å; R300-D349 IonicContact NH2-OD2 3.68Å; R300-D349 PolarHBondContact NH2-OD2 2.87Å |
| 301 | S | 86.9 | Confident | 85.2 | Confident | 23 Ų | 23 | 41.9 Ų | 41.9 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.1 | -30.3 | -177.1 | -164.7 | 0 | 0 | 0 | 0 | 111.9 | K276 E297 G305 | K276-S301 PolarHBondContact NZ-OG 2.95Å; E297-S301 WeakPolarHBondContact O-CB 3.47Å; E297-S301 PolarHBondContact O-N 3.45Å; S301-G305 PolarHBondContact O-N 3.19Å |
| 302 | L | 89.7 | Confident | 85 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.6 | -48.9 | 169.4 | -173.2 | 156.1 | 0 | 0 | 0 | 111.6 | L273 K276 L277 A298 R300 Q304 G305 A306 L378 I381 | L273-L302 HydrophobicContact CD2-CB 4.43Å; L273-L302 HydrophobicContact CD2-CG 4.38Å; K276-L302 HydrophobicContact CB-CB 4.32Å; K276-L302 HydrophobicContact CB-CD1 4.49Å; L277-L302 HydrophobicContact CB-CD1 3.71Å; L277-L302 HydrophobicContact CD1-CD1 4.01Å; L277-L302 HydrophobicContact CG-CD1 4.47Å; A298-L302 WeakPolarHBondContact O-CB 3.29Å; A298-L302 PolarHBondContact O-N 2.71Å; R300-L302 VanDerWaalsContact C-N 3.28Å; R300-L302 PolarHBondContact O-N 3.08Å; L302-Q304 PolarHBondContact O-N 3.42Å; L302-G305 PolarHBondContact O-N 3.33Å; L302-A306 WeakPolarHBondContact O-CB 3.49Å; L302-A306 PolarHBondContact O-N 2.79Å; L302-L378 HydrophobicContact CD1-CD2 4.24Å; L302-L378 HydrophobicContact CD2-CD2 3.9Å; L302-I381 HydrophobicContact CD2-CB 4.48Å; L302-I381 HydrophobicContact CD2-CG2 3.79Å |
| 303 | A | 91.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C299 R300 R307 C341 E345 | C299-A303 WeakPolarHBondContact O-CB 3.38Å; C299-A303 PolarHBondContact O-N 2.98Å; R300-A303 PolarHBondContact O-N 3.44Å; A303-R307 PolarHBondContact O-N 3.44Å; A303-R307 PolarHBondContact O-NE 2.79Å; A303-C341 HydrophobicContact CB-CB 3.95Å; A303-E345 HydrophobicContact CB-CG 3.81Å |
| 304 | Q | 87.7 | Confident | 83 | Confident | 131 Ų | 131 | 40 Ų | 40 | 61% | 0.612 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -66.2 | -44.3 | 173.8 | -172.4 | -179 | 9.5 | 0 | 0 | 112 | R300 L302 R307 S308 | R300-Q304 WeakPolarHBondContact O-CB 3.34Å; R300-Q304 PolarHBondContact O-N 3.19Å; L302-Q304 PolarHBondContact O-N 3.42Å; Q304-R307 PolarHBondContact O-N 2.8Å; Q304-S308 PolarHBondContact O-N 3.09Å |
| 305 | G | 83.7 | Confident | 81.6 | Confident | 21 Ų | 21 | 44 Ų | 44 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.8 | -50 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S301 L302 R307 S308 I309 | S301-G305 PolarHBondContact O-N 3.19Å; L302-G305 PolarHBondContact O-N 3.33Å; G305-R307 PolarHBondContact O-N 3.21Å; G305-S308 VanDerWaalsContact O-CB 3.3Å; G305-S308 WeakPolarHBondContact O-CB 3.33Å; G305-S308 PolarHBondContact O-N 2.76Å; G305-S308 VanDerWaalsContact O-N 3.08Å; G305-I309 WeakPolarHBondContact O-CG1 3.29Å; G305-I309 PolarHBondContact O-N 3.25Å |
| 306 | A | 87.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.2 | -47.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L302 S308 I309 I310 I381 L385 | L302-A306 WeakPolarHBondContact O-CB 3.49Å; L302-A306 PolarHBondContact O-N 2.79Å; A306-S308 VanDerWaalsContact C-N 3.33Å; A306-S308 PolarHBondContact O-N 2.69Å; A306-I309 WeakPolarHBondContact O-CB 3.45Å; A306-I309 PolarHBondContact O-N 3.43Å; A306-I310 WeakPolarHBondContact O-CG1 3.4Å; A306-I310 PolarHBondContact O-N 2.82Å; A306-I310 VanDerWaalsContact O-N 3.1Å; A306-I381 HydrophobicContact CB-CG2 3.6Å; A306-L385 HydrophobicContact CB-CD1 3.81Å; A306-L385 HydrophobicContact CB-CD2 4.08Å; A306-L385 HydrophobicContact CB-CG 4.27Å |
| 307 | R | 87.7 | Confident | 77 | Confident | 50 Ų | 50 | 53 Ų | 53 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 177.7 | -71.1 | -177.7 | -65.2 | -127.4 | -5.1 | 112.8 | A303 Q304 G305 I309 I310 M311 V338 C341 E345 | A303-R307 PolarHBondContact O-N 3.44Å; A303-R307 PolarHBondContact O-NE 2.79Å; Q304-R307 PolarHBondContact O-N 2.8Å; G305-R307 PolarHBondContact O-N 3.21Å; R307-I309 VanDerWaalsContact C-N 3.32Å; R307-I309 PolarHBondContact O-N 3.36Å; R307-I310 PolarHBondContact O-N 3.39Å; R307-M311 WeakPolarHBondContact O-CB 3.43Å; R307-M311 VanDerWaalsContact O-CG 3.3Å; R307-M311 WeakPolarHBondContact O-CG 3.42Å; R307-M311 PolarHBondContact O-N 3.46Å; R307-V338 HydrophobicContact CG-CG1 4.46Å; R307-V338 HydrophobicContact CG-CG2 4.42Å; R307-C341 HydrophobicContact CG-CB 4.09Å; R307-E345 IonicContact CZ-OE1 3.62Å; R307-E345 IonicContact CZ-OE2 3.71Å; R307-E345 IonicContact NH1-OE1 3.52Å; R307-E345 IonicContact NH1-OE2 2.78Å; R307-E345 PolarHBondContact NH1-OE2 2.93Å; R307-E345 VanDerWaalsContact NH2-CD 3.3Å; R307-E345 IonicContact NH2-OE1 3.44Å; R307-E345 PolarHBondContact NH2-OE1 3.33Å; R307-E345 IonicContact NH2-OE2 2.69Å; R307-E345 PolarHBondContact NH2-OE2 3.32Å |
| 308 | S | 82.4 | Confident | 74.6 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 175.8 | -166.3 | 0 | 0 | 0 | 0 | 111.9 | Q304 G305 A306 M311 S312 | Q304-S308 PolarHBondContact O-N 3.09Å; G305-S308 VanDerWaalsContact O-CB 3.3Å; G305-S308 WeakPolarHBondContact O-CB 3.33Å; G305-S308 PolarHBondContact O-N 2.76Å; G305-S308 VanDerWaalsContact O-N 3.08Å; A306-S308 VanDerWaalsContact C-N 3.33Å; A306-S308 PolarHBondContact O-N 2.69Å; S308-M311 PolarHBondContact O-N 2.92Å; S308-S312 PolarHBondContact O-N 3.15Å |
| 309 | I | 79.6 | Confident | 71.9 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.1 | -48.6 | 179.2 | -58.2 | 172.6 | 0 | 0 | 0 | 110.8 | L273 G305 A306 R307 S312 S313 L385 L444 T448 | L273-I309 HydrophobicContact CD1-CD1 3.51Å; G305-I309 WeakPolarHBondContact O-CG1 3.29Å; G305-I309 PolarHBondContact O-N 3.25Å; A306-I309 WeakPolarHBondContact O-CB 3.45Å; A306-I309 PolarHBondContact O-N 3.43Å; R307-I309 VanDerWaalsContact C-N 3.32Å; R307-I309 PolarHBondContact O-N 3.36Å; I309-S312 PolarHBondContact O-N 2.89Å; I309-S312 PolarHBondContact O-OG 2.88Å; I309-S313 PolarHBondContact O-N 3.14Å; I309-S313 VanDerWaalsContact O-N 3.1Å; I309-S313 PolarHBondContact O-OG 3.29Å; I309-L385 HydrophobicContact CB-CD2 3.96Å; I309-L385 HydrophobicContact CD1-CD1 4.15Å; I309-L385 HydrophobicContact CD1-CD2 3.87Å; I309-L385 HydrophobicContact CG1-CD2 4.47Å; I309-L385 HydrophobicContact CG2-CD2 4.02Å; I309-L444 HydrophobicContact CB-CD1 4.09Å; I309-L444 HydrophobicContact CD1-CD1 3.53Å; I309-L444 HydrophobicContact CG1-CD1 3.38Å; I309-L444 HydrophobicContact CG2-CD1 3.67Å; I309-L444 HydrophobicContact CG2-CD2 4.06Å; I309-T448 HydrophobicContact CD1-CG2 3.77Å |
| 310 | I | 82.8 | Confident | 69.2 | Low | 9 Ų | 9 | 65.2 Ų | 65.2 | 5% | 0.046 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 178 | -65.2 | 162.6 | 0 | 0 | 0 | 110.3 | A306 R307 S312 S313 D314 N334 C337 V338 L388 | A306-I310 WeakPolarHBondContact O-CG1 3.4Å; A306-I310 PolarHBondContact O-N 2.82Å; A306-I310 VanDerWaalsContact O-N 3.1Å; R307-I310 PolarHBondContact O-N 3.39Å; I310-S312 VanDerWaalsContact C-N 3.34Å; I310-S312 PolarHBondContact O-N 2.97Å; I310-S313 WeakPolarHBondContact O-CB 3.24Å; I310-S313 PolarHBondContact O-N 3.07Å; I310-S313 VanDerWaalsContact O-N 3.08Å; I310-D314 PolarHBondContact O-N 3.49Å; I310-N334 HydrophobicContact CG2-CB 3.74Å; I310-C337 HydrophobicContact CD1-CB 3.9Å; I310-V338 HydrophobicContact CD1-CG2 4.2Å; I310-V338 HydrophobicContact CG2-CG2 4.36Å; I310-L388 HydrophobicContact CG1-CD1 3.9Å |
| 311 | M | 78.1 | Confident | 66.4 | Low | 144 Ų | 144 | 67.9 Ų | 67.9 | 71% | 0.709 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.4 | -38.9 | 177.2 | -74.9 | 179.4 | 169.2 | 0 | 0 | 113.1 | R307 S308 S313 | R307-M311 WeakPolarHBondContact O-CB 3.43Å; R307-M311 VanDerWaalsContact O-CG 3.3Å; R307-M311 WeakPolarHBondContact O-CG 3.42Å; R307-M311 PolarHBondContact O-N 3.46Å; S308-M311 PolarHBondContact O-N 2.92Å; M311-S313 VanDerWaalsContact C-N 3.28Å; M311-S313 PolarHBondContact O-N 3.01Å |
| 312 | S | 69.3 | Low | 64 | Low | 55 Ų | 55 | 73.4 Ų | 73.4 | 39% | 0.385 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -33 | 175.8 | 75.1 | 0 | 0 | 0 | 0 | 112.5 | S308 I309 I310 S315 | S308-S312 PolarHBondContact O-N 3.15Å; I309-S312 PolarHBondContact O-N 2.89Å; I309-S312 PolarHBondContact O-OG 2.88Å; I310-S312 VanDerWaalsContact C-N 3.34Å; I310-S312 PolarHBondContact O-N 2.97Å; S312-S315 PolarHBondContact O-OG 3Å |
| 313 | S | 64.1 | Low | 61.6 | Low | 26 Ų | 26 | 77.6 Ų | 77.6 | 18% | 0.182 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -71.3 | -38.6 | -178 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | I309 I310 M311 S315 | I309-S313 PolarHBondContact O-N 3.14Å; I309-S313 VanDerWaalsContact O-N 3.1Å; I309-S313 PolarHBondContact O-OG 3.29Å; I310-S313 WeakPolarHBondContact O-CB 3.24Å; I310-S313 PolarHBondContact O-N 3.07Å; I310-S313 VanDerWaalsContact O-N 3.08Å; M311-S313 VanDerWaalsContact C-N 3.28Å; M311-S313 PolarHBondContact O-N 3.01Å; S313-S315 PolarHBondContact O-N 2.8Å |
| 314 | D | 58.1 | Low | 59.1 | Low | 97 Ų | 97 | 82.7 Ų | 82.7 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -11.1 | -178.1 | -128.8 | 47.7 | 0 | 0 | 0 | 113 | I310 K331 | I310-D314 PolarHBondContact O-N 3.49Å; D314-K331 IonicContact OD2-NZ 3.43Å |
| 315 | S | 49.6 | Very low | 57.1 | Low | 102 Ų | 102 | 82.9 Ų | 82.9 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -5.5 | -174 | 73.2 | 0 | 0 | 0 | 0 | 115.7 | S312 S313 | S312-S315 PolarHBondContact O-OG 3Å; S313-S315 PolarHBondContact O-N 2.8Å |
| 316 | G | 42.5 | Very low | 55.3 | Low | 61 Ų | 61 | 85.3 Ų | 85.3 | 63% | 0.629 | 50% | 0.5 | S | S | * | . | trans | -95.1 | -24.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117 | V318 | G316-V318 PolarHBondContact O-N 3.07Š| ||
| 317 | D | 37.9 | Very low | 53.7 | Low | 140 Ų | 140 | 88.5 Ų | 88.5 | 75% | 0.749 | 52% | 0.522 | S | S | * | . | trans | -86.8 | 109.6 | -170.4 | -88.3 | -30.3 | 0 | 0 | 0 | 112.8 | ||||
| 318 | V | 36.3 | Very low | 52.2 | Low | 121 Ų | 121 | 89.4 Ų | 89.4 | 73% | 0.733 | 53% | 0.534 | S | S | * | . | trans | -61.9 | 132.6 | 152.8 | 177.3 | 0 | 0 | 0 | 0 | 107.2 | G316 D320 | G316-V318 PolarHBondContact O-N 3.07Å; V318-D320 PolarHBondContact O-N 2.91Å | ||
| 319 | P | 30.8 | Very low | 51.2 | Low | 114 Ų | 114 | 92.4 Ų | 92.4 | 74% | 0.74 | 54% | 0.539 | S | S | * | . | trans | -69.4 | 90 | -175.7 | 26.9 | -35 | 0 | 0 | 0 | 112.2 | N321 | P319-N321 PolarHBondContact O-N 3.09Š| ||
| 320 | D | 36.9 | Very low | 50.7 | Low | 106 Ų | 106 | 93.5 Ų | 93.5 | 57% | 0.567 | 55% | 0.545 | S | S | * | . | trans | -62.9 | 86.3 | 162.2 | -99 | -32 | 0 | 0 | 0 | 108.3 | V318 N322 R546 | V318-D320 PolarHBondContact O-N 2.91Å; D320-N322 PolarHBondContact O-N 3.35Å; D320-R546 IonicContact OD2-CZ 2.76Å; D320-R546 IonicContact OD2-NH1 2.79Å; D320-R546 PolarHBondContact OD2-NH1 3.45Å; D320-R546 IonicContact OD2-NH2 3.61Å; D320-R546 PolarHBondContact OD2-NH2 2.99Å | ||
| 321 | N | 32.5 | Very low | 50.5 | Low | 136 Ų | 136 | 97.7 Ų | 97.7 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 42.6 | -163 | -171.3 | 37.4 | 0 | 0 | 0 | 115.2 | P319 | P319-N321 PolarHBondContact O-N 3.09Š|
| 322 | N | 34.8 | Very low | 50.7 | Low | 140 Ų | 140 | 97.1 Ų | 97.1 | 75% | 0.749 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.8 | 25 | -173.6 | -100.2 | -36.4 | 0 | 0 | 0 | 115.6 | D320 | D320-N322 PolarHBondContact O-N 3.35Š|
| 323 | N | 40.2 | Very low | 51.4 | Low | 87 Ų | 87 | 96.6 Ų | 96.6 | 47% | 0.465 | 55% | 0.553 | S | S | . | * | trans | -150.9 | 71.1 | 172 | -104 | -37.8 | 0 | 0 | 0 | 112.7 | N325 | N323-N325 VanDerWaalsContact C-N 3.28Å; N323-N325 PolarHBondContact O-N 2.98Å; N323-N325 VanDerWaalsContact O-N 3.17Å | ||
| 324 | N | 39.9 | Very low | 52.5 | Low | 108 Ų | 108 | 95.6 Ų | 95.6 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.7 | -4.7 | -166.8 | -64.2 | -4.9 | 0 | 0 | 0 | 116.2 | T328 | N324-T328 PolarHBondContact O-OG1 3.26Å |
| 325 | N | 44.6 | Very low | 53.9 | Low | 135 Ų | 135 | 95.3 Ų | 95.3 | 72% | 0.722 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -87.7 | -41.7 | -171.8 | -69.8 | 20.8 | 0 | 0 | 0 | 113.3 | N323 E329 | N323-N325 VanDerWaalsContact C-N 3.28Å; N323-N325 PolarHBondContact O-N 2.98Å; N323-N325 VanDerWaalsContact O-N 3.17Å; N325-E329 PolarHBondContact O-N 3Å |
| 326 | S | 46.4 | Very low | 55.9 | Low | 72 Ų | 72 | 92.3 Ų | 92.3 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -78.3 | -33.8 | -175.4 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | T328 D330 | S326-T328 VanDerWaalsContact C-N 3.32Å; S326-D330 PolarHBondContact O-N 3.38Å |
| 327 | S | 53.5 | Low | 58.3 | Low | 66 Ų | 66 | 89.4 Ų | 89.4 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.4 | -30 | 177.3 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | K331 | S327-K331 VanDerWaalsContact O-CB 3.28Å; S327-K331 WeakPolarHBondContact O-CB 3.31Å; S327-K331 PolarHBondContact O-N 2.94Å; S327-K331 VanDerWaalsContact O-N 3.15Å |
| 328 | T | 57.1 | Low | 60.9 | Low | 70 Ų | 70 | 84.7 Ų | 84.7 | 43% | 0.429 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.6 | -48 | 176.9 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | N324 S326 D330 K331 E332 | N324-T328 PolarHBondContact O-OG1 3.26Å; S326-T328 VanDerWaalsContact C-N 3.32Å; T328-D330 PolarHBondContact O-N 2.99Å; T328-K331 PolarHBondContact O-N 2.99Å; T328-E332 WeakPolarHBondContact O-CG 3.3Å; T328-E332 PolarHBondContact O-N 3.28Å |
| 329 | E | 60.2 | Low | 63.6 | Low | 142 Ų | 142 | 85.6 Ų | 85.6 | 66% | 0.664 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.7 | -46.5 | 177.3 | -72 | -172.8 | 175.7 | 0 | 0 | 112.4 | N325 K331 E332 T333 | N325-E329 PolarHBondContact O-N 3Å; E329-K331 VanDerWaalsContact C-N 3.32Å; E329-K331 PolarHBondContact O-N 3.01Å; E329-E332 PolarHBondContact O-N 3.08Å; E329-T333 WeakPolarHBondContact O-CG2 3.48Å; E329-T333 PolarHBondContact O-N 3.45Å; E329-T333 PolarHBondContact O-OG1 3.24Å |
| 330 | D | 69.3 | Low | 66.6 | Low | 33 Ų | 33 | 80.8 Ų | 80.8 | 18% | 0.176 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 178.6 | -84.1 | -30.3 | 0 | 0 | 0 | 111.3 | S326 T328 T333 N334 K387 R391 | S326-D330 PolarHBondContact O-N 3.38Å; T328-D330 PolarHBondContact O-N 2.99Å; D330-T333 PolarHBondContact O-N 2.83Å; D330-T333 PolarHBondContact O-OG1 2.9Å; D330-N334 PolarHBondContact O-N 3.11Å; D330-K387 IonicContact OD1-NZ 3.33Å; D330-K387 PolarHBondContact OD1-NZ 2.89Å; D330-R391 IonicContact OD2-CZ 3.91Å; D330-R391 IonicContact OD2-NH1 2.68Å; D330-R391 PolarHBondContact OD2-NH1 3.35Å |
| 331 | K | 78.3 | Confident | 69.4 | Low | 96 Ų | 96 | 75.7 Ų | 75.7 | 42% | 0.417 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 175.4 | -174.8 | 173.2 | -172.9 | 95 | 0 | 112.9 | D314 S327 T328 E329 T333 N334 D335 | D314-K331 IonicContact OD2-NZ 3.43Å; S327-K331 VanDerWaalsContact O-CB 3.28Å; S327-K331 WeakPolarHBondContact O-CB 3.31Å; S327-K331 PolarHBondContact O-N 2.94Å; S327-K331 VanDerWaalsContact O-N 3.15Å; T328-K331 PolarHBondContact O-N 2.99Å; E329-K331 VanDerWaalsContact C-N 3.32Å; E329-K331 PolarHBondContact O-N 3.01Å; K331-T333 VanDerWaalsContact C-N 3.26Å; K331-T333 PolarHBondContact O-N 3.31Å; K331-N334 WeakPolarHBondContact O-CB 3.3Å; K331-N334 PolarHBondContact O-N 2.68Å; K331-N334 VanDerWaalsContact O-N 3.08Å; K331-D335 PolarHBondContact O-N 3.08Å |
| 332 | E | 82 | Confident | 72.4 | Confident | 132 Ų | 132 | 73.5 Ų | 73.5 | 62% | 0.617 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.5 | -37.9 | 175.8 | -73.4 | 179 | -169.8 | 0 | 0 | 111.5 | T328 E329 A336 | T328-E332 WeakPolarHBondContact O-CG 3.3Å; T328-E332 PolarHBondContact O-N 3.28Å; E329-E332 PolarHBondContact O-N 3.08Å; E332-A336 WeakPolarHBondContact O-CB 3.23Å; E332-A336 PolarHBondContact O-N 3.35Å |
| 333 | T | 84.8 | Confident | 75.3 | Confident | 44 Ų | 44 | 70 Ų | 70 | 27% | 0.27 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.8 | -33.3 | 173.9 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | E329 D330 K331 C337 | E329-T333 WeakPolarHBondContact O-CG2 3.48Å; E329-T333 PolarHBondContact O-N 3.45Å; E329-T333 PolarHBondContact O-OG1 3.24Å; D330-T333 PolarHBondContact O-N 2.83Å; D330-T333 PolarHBondContact O-OG1 2.9Å; K331-T333 VanDerWaalsContact C-N 3.26Å; K331-T333 PolarHBondContact O-N 3.31Å; T333-C337 VanDerWaalsContact O-CB 3.32Å; T333-C337 WeakPolarHBondContact O-CB 3.38Å; T333-C337 PolarHBondContact O-N 2.88Å; T333-C337 VanDerWaalsContact O-N 3.1Å |
| 334 | N | 86.3 | Confident | 78 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.032 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.9 | -50.1 | 174 | -75.8 | -12.5 | 0 | 0 | 0 | 111 | I310 D330 K331 A336 C337 V338 | I310-N334 HydrophobicContact CG2-CB 3.74Å; D330-N334 PolarHBondContact O-N 3.11Å; K331-N334 WeakPolarHBondContact O-CB 3.3Å; K331-N334 PolarHBondContact O-N 2.68Å; K331-N334 VanDerWaalsContact O-N 3.08Å; N334-A336 PolarHBondContact O-N 2.64Å; N334-C337 WeakPolarHBondContact O-CB 3.16Å; N334-C337 PolarHBondContact O-N 3.11Å; N334-C337 VanDerWaalsContact O-N 3.11Å; N334-V338 WeakPolarHBondContact O-CG2 3.34Å; N334-V338 PolarHBondContact O-N 2.94Å |
| 335 | D | 88.5 | Confident | 80.6 | Confident | 91 Ų | 91 | 63 Ų | 63 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | -179 | -70.9 | -25.3 | 0 | 0 | 0 | 111.1 | K331 C337 V338 E339 | K331-D335 PolarHBondContact O-N 3.08Å; D335-C337 VanDerWaalsContact C-N 3.31Å; D335-C337 PolarHBondContact O-N 3.45Å; D335-V338 PolarHBondContact O-N 2.85Å; D335-E339 PolarHBondContact O-N 3.37Å |
| 336 | A | 91.6 | Very high | 83 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 31% | 0.314 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -31.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E332 N334 A340 Y380 | E332-A336 WeakPolarHBondContact O-CB 3.23Å; E332-A336 PolarHBondContact O-N 3.35Å; N334-A336 PolarHBondContact O-N 2.64Å; A336-A340 WeakPolarHBondContact O-CB 3.25Å; A336-A340 PolarHBondContact O-N 2.99Å; A336-Y380 HydrophobicContact CB-CE1 4.48Å |
| 337 | C | 91.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.5 | -33.7 | 174.3 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | I310 T333 N334 D335 A340 C341 Y380 T384 | I310-C337 HydrophobicContact CD1-CB 3.9Å; T333-C337 VanDerWaalsContact O-CB 3.32Å; T333-C337 WeakPolarHBondContact O-CB 3.38Å; T333-C337 PolarHBondContact O-N 2.88Å; T333-C337 VanDerWaalsContact O-N 3.1Å; N334-C337 WeakPolarHBondContact O-CB 3.16Å; N334-C337 PolarHBondContact O-N 3.11Å; N334-C337 VanDerWaalsContact O-N 3.11Å; D335-C337 VanDerWaalsContact C-N 3.31Å; D335-C337 PolarHBondContact O-N 3.45Å; C337-A340 PolarHBondContact O-N 2.9Å; C337-C341 PolarHBondContact O-N 3.43Å; C337-C341 PolarHBondContact O-SG 3.23Å; C337-Y380 HydrophobicContact CB-CE1 4.25Å; C337-T384 HydrophobicContact CB-CG2 3.85Å |
| 338 | V | 92.5 | Very high | 87.3 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 26% | 0.255 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 171.1 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | R307 I310 N334 D335 A340 C341 E342 | R307-V338 HydrophobicContact CG-CG1 4.46Å; R307-V338 HydrophobicContact CG-CG2 4.42Å; I310-V338 HydrophobicContact CD1-CG2 4.2Å; I310-V338 HydrophobicContact CG2-CG2 4.36Å; N334-V338 WeakPolarHBondContact O-CG2 3.34Å; N334-V338 PolarHBondContact O-N 2.94Å; D335-V338 PolarHBondContact O-N 2.85Å; V338-A340 VanDerWaalsContact C-N 3.32Å; V338-A340 PolarHBondContact O-N 3.19Å; V338-C341 WeakPolarHBondContact O-CB 3.35Å; V338-C341 PolarHBondContact O-N 3.35Å; V338-C341 VanDerWaalsContact O-N 3.15Å; V338-E342 PolarHBondContact O-N 2.93Å; V338-E342 VanDerWaalsContact O-N 3.1Å |
| 339 | E | 94.1 | Very high | 89 | Confident | 140 Ų | 140 | 57.1 Ų | 57.1 | 65% | 0.654 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.9 | -42.5 | 173.5 | -171.3 | -175.5 | 176.1 | 0 | 0 | 111.6 | D335 C341 E342 H343 | D335-E339 PolarHBondContact O-N 3.37Å; E339-C341 VanDerWaalsContact C-N 3.31Å; E339-C341 PolarHBondContact O-N 3.08Å; E339-E342 PolarHBondContact O-N 3.26Å; E339-H343 WeakPolarHBondContact O-CB 3.3Å; E339-H343 PolarHBondContact O-N 2.89Å |
| 340 | A | 94.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A336 C337 V338 H343 V344 Y380 I381 | A336-A340 WeakPolarHBondContact O-CB 3.25Å; A336-A340 PolarHBondContact O-N 2.99Å; C337-A340 PolarHBondContact O-N 2.9Å; V338-A340 VanDerWaalsContact C-N 3.32Å; V338-A340 PolarHBondContact O-N 3.19Å; A340-H343 WeakPolarHBondContact O-CB 3.27Å; A340-H343 PolarHBondContact O-N 3.07Å; A340-V344 WeakPolarHBondContact O-CG2 3.41Å; A340-V344 PolarHBondContact O-N 3.47Å; A340-Y380 HydrophobicContact CB-CD1 3.88Å; A340-Y380 HydrophobicContact CB-CE1 4.35Å; A340-I381 HydrophobicContact CB-CD1 4.18Å; A340-I381 HydrophobicContact CB-CG1 3.81Å |
| 341 | C | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 174.3 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | A303 R307 C337 V338 E339 H343 V344 E345 I381 | A303-C341 HydrophobicContact CB-CB 3.95Å; R307-C341 HydrophobicContact CG-CB 4.09Å; C337-C341 PolarHBondContact O-N 3.43Å; C337-C341 PolarHBondContact O-SG 3.23Å; V338-C341 WeakPolarHBondContact O-CB 3.35Å; V338-C341 PolarHBondContact O-N 3.35Å; V338-C341 VanDerWaalsContact O-N 3.15Å; E339-C341 VanDerWaalsContact C-N 3.31Å; E339-C341 PolarHBondContact O-N 3.08Å; C341-H343 VanDerWaalsContact C-N 3.29Å; C341-H343 PolarHBondContact O-N 2.89Å; C341-V344 PolarHBondContact O-N 3.31Å; C341-E345 PolarHBondContact O-N 2.84Å; C341-I381 HydrophobicContact CB-CD1 4.48Å |
| 342 | E | 95.2 | Very high | 92.4 | Very high | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.421 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.3 | -33.3 | 174.5 | -60.5 | -171.1 | -176.8 | 0 | 0 | 112.6 | V338 E339 R346 | V338-E342 PolarHBondContact O-N 2.93Å; V338-E342 VanDerWaalsContact O-N 3.1Å; E339-E342 PolarHBondContact O-N 3.26Å; E342-R346 WeakPolarHBondContact O-CB 3.18Å; E342-R346 PolarHBondContact O-N 3.18Å; E342-R346 VanDerWaalsContact O-N 3.09Å; E342-R346 PolarHBondContact O-NH1 3.43Å; E342-R346 IonicContact OE2-NH2 3.65Å; E342-R346 PolarHBondContact OE2-NH2 2.86Å |
| 343 | H | 96.1 | Very high | 92.9 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 174.1 | -171.4 | 102.2 | 0 | 0 | 0 | 111.1 | E339 A340 C341 E345 V347 S377 | E339-H343 WeakPolarHBondContact O-CB 3.3Å; E339-H343 PolarHBondContact O-N 2.89Å; A340-H343 WeakPolarHBondContact O-CB 3.27Å; A340-H343 PolarHBondContact O-N 3.07Å; C341-H343 VanDerWaalsContact C-N 3.29Å; C341-H343 PolarHBondContact O-N 2.89Å; H343-E345 PolarHBondContact O-N 3.46Å; H343-V347 VanDerWaalsContact O-CB 3.25Å; H343-V347 WeakPolarHBondContact O-CB 3.36Å; H343-V347 VanDerWaalsContact O-CG2 3.23Å; H343-V347 WeakPolarHBondContact O-CG2 3.32Å; H343-V347 PolarHBondContact O-N 2.68Å; H343-S377 PolarHBondContact CD2-OG 3.48Å; H343-S377 VanDerWaalsContact CD2-OG 3.3Å |
| 344 | V | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.3 | -55.4 | 176.9 | 165.2 | 0 | 0 | 0 | 0 | 110.6 | C299 A340 C341 R346 V347 S348 I374 L378 I381 | C299-V344 HydrophobicContact CB-CG1 3.73Å; A340-V344 WeakPolarHBondContact O-CG2 3.41Å; A340-V344 PolarHBondContact O-N 3.47Å; C341-V344 PolarHBondContact O-N 3.31Å; V344-R346 PolarHBondContact O-N 2.89Å; V344-V347 PolarHBondContact O-N 2.84Å; V344-S348 VanDerWaalsContact O-CB 3.27Å; V344-S348 WeakPolarHBondContact O-CB 3.3Å; V344-S348 PolarHBondContact O-N 3.4Å; V344-S348 PolarHBondContact O-OG 3.15Å; V344-I374 HydrophobicContact CG1-CG2 4.27Å; V344-I374 HydrophobicContact CG2-CG2 4.4Å; V344-L378 HydrophobicContact CG1-CD2 3.87Å; V344-L378 HydrophobicContact CG1-CG 4.4Å; V344-L378 HydrophobicContact CG2-CD2 3.96Å; V344-L378 HydrophobicContact CG2-CG 4Å; V344-I381 HydrophobicContact CB-CD1 4.47Å; V344-I381 HydrophobicContact CG2-CD1 3.68Å |
| 345 | E | 94.1 | Very high | 93.2 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 22% | 0.22 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.7 | -51 | -176.7 | -67 | 171.9 | 138.7 | 0 | 0 | 112.2 | R300 A303 R307 C341 H343 V347 S348 D349 | R300-E345 HydrophobicContact CG-CG 4.45Å; A303-E345 HydrophobicContact CB-CG 3.81Å; R307-E345 IonicContact CZ-OE1 3.62Å; R307-E345 IonicContact CZ-OE2 3.71Å; R307-E345 IonicContact NH1-OE1 3.52Å; R307-E345 IonicContact NH1-OE2 2.78Å; R307-E345 PolarHBondContact NH1-OE2 2.93Å; R307-E345 VanDerWaalsContact NH2-CD 3.3Å; R307-E345 IonicContact NH2-OE1 3.44Å; R307-E345 PolarHBondContact NH2-OE1 3.33Å; R307-E345 IonicContact NH2-OE2 2.69Å; R307-E345 PolarHBondContact NH2-OE2 3.32Å; C341-E345 PolarHBondContact O-N 2.84Å; H343-E345 PolarHBondContact O-N 3.46Å; E345-V347 VanDerWaalsContact C-N 3.29Å; E345-V347 PolarHBondContact O-N 2.96Å; E345-S348 PolarHBondContact O-N 3.49Å; E345-S348 PolarHBondContact O-OG 3.05Å; E345-D349 PolarHBondContact O-N 3.38Å; E345-D349 VanDerWaalsContact O-N 3.16Å |
| 346 | R | 95 | Very high | 93 | Very high | 138 Ų | 138 | 47.4 Ų | 47.4 | 52% | 0.521 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -33.5 | -176.9 | -165.5 | -169.8 | -53.7 | 109.9 | -6.3 | 112.5 | E342 V344 | E342-R346 WeakPolarHBondContact O-CB 3.18Å; E342-R346 PolarHBondContact O-N 3.18Å; E342-R346 VanDerWaalsContact O-N 3.09Å; E342-R346 PolarHBondContact O-NH1 3.43Å; E342-R346 IonicContact OE2-NH2 3.65Å; E342-R346 PolarHBondContact OE2-NH2 2.86Å; V344-R346 PolarHBondContact O-N 2.89Å |
| 347 | V | 95.4 | Very high | 92.7 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -90.4 | -31.3 | -178.2 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | H343 V344 E345 R350 L351 L370 I374 | H343-V347 VanDerWaalsContact O-CB 3.25Å; H343-V347 WeakPolarHBondContact O-CB 3.36Å; H343-V347 VanDerWaalsContact O-CG2 3.23Å; H343-V347 WeakPolarHBondContact O-CG2 3.32Å; H343-V347 PolarHBondContact O-N 2.68Å; V344-V347 PolarHBondContact O-N 2.84Å; E345-V347 VanDerWaalsContact C-N 3.29Å; E345-V347 PolarHBondContact O-N 2.96Å; V347-R350 PolarHBondContact O-N 3.01Å; V347-L351 PolarHBondContact O-N 3.08Å; V347-L370 HydrophobicContact CG1-CB 4.28Å; V347-L370 HydrophobicContact CG1-CD2 3.93Å; V347-I374 HydrophobicContact CB-CG1 3.97Å; V347-I374 HydrophobicContact CG1-CD1 4Å; V347-I374 HydrophobicContact CG1-CG1 3.61Å |
| 348 | S | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 172.9 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | L296 V344 E345 R350 L351 F352 | L296-S348 WeakPolarHBondContact CD1-OG 3.31Å; V344-S348 VanDerWaalsContact O-CB 3.27Å; V344-S348 WeakPolarHBondContact O-CB 3.3Å; V344-S348 PolarHBondContact O-N 3.4Å; V344-S348 PolarHBondContact O-OG 3.15Å; E345-S348 PolarHBondContact O-N 3.49Å; E345-S348 PolarHBondContact O-OG 3.05Å; S348-R350 VanDerWaalsContact C-N 3.3Å; S348-R350 PolarHBondContact O-N 2.99Å; S348-L351 PolarHBondContact O-N 3.36Å; S348-F352 WeakPolarHBondContact O-CB 3.23Å; S348-F352 PolarHBondContact O-N 2.93Å |
| 349 | D | 93.5 | Very high | 91.6 | Very high | 62 Ų | 62 | 57.8 Ų | 57.8 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 175.7 | -89.2 | -45.8 | 0 | 0 | 0 | 112.4 | R300 E345 S353 | R300-D349 IonicContact CZ-OD1 3.9Å; R300-D349 IonicContact CZ-OD2 2.73Å; R300-D349 IonicContact NE-OD2 3.71Å; R300-D349 IonicContact NH2-OD1 2.64Å; R300-D349 PolarHBondContact NH2-OD1 2.96Å; R300-D349 IonicContact NH2-OD2 3.68Å; R300-D349 PolarHBondContact NH2-OD2 2.87Å; E345-D349 PolarHBondContact O-N 3.38Å; E345-D349 VanDerWaalsContact O-N 3.16Å; D349-S353 WeakPolarHBondContact O-CB 3.23Å; D349-S353 PolarHBondContact O-N 2.93Å; D349-S353 VanDerWaalsContact O-N 3.12Å; D349-S353 PolarHBondContact O-OG 3.11Å |
| 350 | R | 93.7 | Very high | 91 | Very high | 150 Ų | 150 | 54.9 Ų | 54.9 | 57% | 0.566 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.5 | -43.5 | 171.2 | -172.9 | 177.1 | 176.7 | 177.1 | -2.7 | 112 | V347 S348 S353 M354 L370 | V347-R350 PolarHBondContact O-N 3.01Å; S348-R350 VanDerWaalsContact C-N 3.3Å; S348-R350 PolarHBondContact O-N 2.99Å; R350-S353 PolarHBondContact O-OG 2.9Å; R350-M354 WeakPolarHBondContact O-CB 3.5Å; R350-M354 PolarHBondContact O-N 3Å; R350-M354 VanDerWaalsContact O-N 3.11Å; R350-L370 HydrophobicContact CG-CD1 4Å |
| 351 | L | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.7 | 176.9 | 58.8 | 0 | 0 | 0 | 111.1 | W283 L284 P287 V347 S348 M354 S355 Q367 L370 A371 I374 | W283-L351 HydrophobicContact CH2-CB 4.44Å; W283-L351 HydrophobicContact CH2-CD2 4.19Å; W283-L351 HydrophobicContact CH2-CG 4.4Å; W283-L351 HydrophobicContact CZ2-CB 4.5Å; W283-L351 HydrophobicContact CZ2-CD2 4.09Å; W283-L351 HydrophobicContact CZ2-CG 4.09Å; L284-L351 HydrophobicContact CD2-CD2 3.59Å; P287-L351 HydrophobicContact CB-CD1 4.01Å; P287-L351 HydrophobicContact CB-CD2 4.22Å; P287-L351 HydrophobicContact CB-CG 4.24Å; P287-L351 HydrophobicContact CG-CD1 4.42Å; P287-L351 HydrophobicContact CG-CD2 4.37Å; V347-L351 PolarHBondContact O-N 3.08Å; S348-L351 PolarHBondContact O-N 3.36Å; L351-M354 PolarHBondContact O-N 3.26Å; L351-S355 VanDerWaalsContact O-CB 3.3Å; L351-S355 WeakPolarHBondContact O-CB 3.47Å; L351-S355 PolarHBondContact O-N 3.41Å; L351-Q367 HydrophobicContact CD1-CB 4.01Å; L351-Q367 HydrophobicContact CD1-CG 3.99Å; L351-L370 HydrophobicContact CB-CB 4.34Å; L351-L370 HydrophobicContact CB-CD1 4.39Å; L351-L370 HydrophobicContact CD1-CB 4.26Å; L351-A371 HydrophobicContact CD2-CB 3.96Å; L351-I374 HydrophobicContact CB-CD1 4.01Å; L351-I374 HydrophobicContact CD2-CD1 3.68Å |
| 352 | F | 92.3 | Very high | 89.7 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 15% | 0.154 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.6 | -45.1 | -178.8 | -176.4 | -86.3 | 0 | 0 | 0 | 113.1 | W283 R292 H293 L296 S348 M354 S355 S356 | W283-F352 HydrophobicContact CH2-CB 4.31Å; W283-F352 HydrophobicContact CZ2-CB 4.02Å; W283-F352 HydrophobicContact CZ2-CD2 4.24Å; R292-F352 HydrophobicContact CB-CD2 4.35Å; R292-F352 HydrophobicContact CB-CE2 4.17Å; R292-F352 HydrophobicContact CG-CD2 4.48Å; R292-F352 HydrophobicContact CG-CE2 3.87Å; H293-F352 AromaticContact CE1-CZ 3.89Å; H293-F352 AromaticContact ND1-CE2 3.9Å; H293-F352 AromaticContact ND1-CZ 3.53Å; L296-F352 HydrophobicContact CB-CD2 4.11Å; L296-F352 HydrophobicContact CD1-CB 4.48Å; L296-F352 HydrophobicContact CD2-CB 4.1Å; L296-F352 HydrophobicContact CD2-CD1 4.13Å; L296-F352 HydrophobicContact CD2-CD2 3.77Å; L296-F352 HydrophobicContact CD2-CE2 4.18Å; L296-F352 HydrophobicContact CD2-CG 3.74Å; L296-F352 HydrophobicContact CG-CD2 4.5Å; S348-F352 WeakPolarHBondContact O-CB 3.23Å; S348-F352 PolarHBondContact O-N 2.93Å; F352-M354 VanDerWaalsContact C-N 3.27Å; F352-M354 PolarHBondContact O-N 3.41Å; F352-S355 PolarHBondContact O-OG 2.88Å; F352-S356 PolarHBondContact O-N 3.02Å; F352-S356 PolarHBondContact O-OG 3.17Å |
| 353 | S | 91.4 | Very high | 89.2 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.8 | -24.4 | 176.6 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | D349 R350 Q357 | D349-S353 WeakPolarHBondContact O-CB 3.23Å; D349-S353 PolarHBondContact O-N 2.93Å; D349-S353 VanDerWaalsContact O-N 3.12Å; D349-S353 PolarHBondContact O-OG 3.11Å; R350-S353 PolarHBondContact O-OG 2.9Å; S353-Q357 PolarHBondContact O-NE2 2.78Å |
| 354 | M | 89.5 | Confident | 88.5 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -87.4 | -35.2 | 177 | -166.1 | 170.3 | 86.6 | 0 | 0 | 113 | R350 L351 F352 S356 Q357 N363 N366 Q367 L370 | R350-M354 WeakPolarHBondContact O-CB 3.5Å; R350-M354 PolarHBondContact O-N 3Å; R350-M354 VanDerWaalsContact O-N 3.11Å; L351-M354 PolarHBondContact O-N 3.26Å; F352-M354 VanDerWaalsContact C-N 3.27Å; F352-M354 PolarHBondContact O-N 3.41Å; M354-S356 PolarHBondContact O-N 3.07Å; M354-Q357 WeakPolarHBondContact O-CB 3.49Å; M354-Q357 PolarHBondContact O-N 3.34Å; M354-Q357 VanDerWaalsContact O-N 3.09Å; M354-N363 VanDerWaalsContact CG-OD1 3.25Å; M354-N363 WeakPolarHBondContact CG-OD1 3.35Å; M354-N366 VanDerWaalsContact CE-C 3.42Å; M354-N366 HydrophobicContact CE-CB 3.53Å; M354-N366 HydrophobicContact SD-CB 4.29Å; M354-Q367 HydrophobicContact CE-CB 4.25Å; M354-Q367 HydrophobicContact CE-CG 3.6Å; M354-Q367 VanDerWaalsContact CE-N 3.34Å; M354-L370 HydrophobicContact CE-CD1 3.55Å; M354-L370 HydrophobicContact CE-CG 4.35Å; M354-L370 HydrophobicContact SD-CD1 4.19Å |
| 355 | S | 87.2 | Confident | 88 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.3 | -28 | 177.5 | 85.9 | 0 | 0 | 0 | 0 | 112.5 | P287 R288 L351 F352 Q357 | P287-S355 VanDerWaalsContact O-CB 3.29Å; P287-S355 WeakPolarHBondContact O-CB 3.29Å; P287-S355 PolarHBondContact O-OG 3.18Å; R288-S355 PolarHBondContact NE-O 2.86Å; L351-S355 VanDerWaalsContact O-CB 3.3Å; L351-S355 WeakPolarHBondContact O-CB 3.47Å; L351-S355 PolarHBondContact O-N 3.41Å; F352-S355 PolarHBondContact O-OG 2.88Å; S355-Q357 VanDerWaalsContact C-N 3.25Å; S355-Q357 PolarHBondContact O-N 3.01Å |
| 356 | S | 84.8 | Confident | 87.7 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.1 | 173 | -58.7 | 0 | 0 | 0 | 0 | 114.6 | F352 M354 | F352-S356 PolarHBondContact O-N 3.02Å; F352-S356 PolarHBondContact O-OG 3.17Å; M354-S356 PolarHBondContact O-N 3.07Å |
| 357 | Q | 86 | Confident | 87.4 | Confident | 103 Ų | 103 | 63.1 Ų | 63.1 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -86.9 | 162.7 | 179.1 | -59.5 | 178.3 | 27.6 | 0 | 0 | 111.4 | R288 S353 M354 S355 | R288-Q357 PolarHBondContact NH2-O 3.25Å; S353-Q357 PolarHBondContact O-NE2 2.78Å; M354-Q357 WeakPolarHBondContact O-CB 3.49Å; M354-Q357 PolarHBondContact O-N 3.34Å; M354-Q357 VanDerWaalsContact O-N 3.09Å; S355-Q357 VanDerWaalsContact C-N 3.25Å; S355-Q357 PolarHBondContact O-N 3.01Å |
| 358 | P | 80.3 | Confident | 87 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 145.5 | 173.8 | -26.1 | 35.8 | 0 | 0 | 0 | 112.6 | T360 N363 | P358-T360 PolarHBondContact O-N 3.29Å; P358-N363 PolarHBondContact O-ND2 2.81Å |
| 359 | L | 79.4 | Confident | 86.8 | Confident | 87 Ų | 87 | 71.3 Ų | 71.3 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 127.5 | -179.3 | -163.6 | 69.1 | 0 | 0 | 0 | 110.2 | E364 | L359-E364 HydrophobicContact CD1-CB 3.97Å; L359-E364 HydrophobicContact CD1-CG 4.32Å |
| 360 | T | 83 | Confident | 86.8 | Confident | 78 Ų | 78 | 69.6 Ų | 69.6 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | trans | -132 | 155.8 | 167.2 | 71.8 | 0 | 0 | 0 | 0 | 107.2 | P358 E362 N363 E364 | P358-T360 PolarHBondContact O-N 3.29Å; T360-E362 PolarHBondContact O-N 3.03Å; T360-N363 WeakPolarHBondContact O-CA 3.42Å; T360-N363 WeakPolarHBondContact O-CB 3.23Å; T360-N363 PolarHBondContact O-N 3.31Å; T360-N363 VanDerWaalsContact OG1-CB 3.28Å; T360-N363 WeakPolarHBondContact OG1-CB 3.27Å; T360-N363 PolarHBondContact OG1-N 2.67Å; T360-N363 VanDerWaalsContact OG1-N 3.12Å; T360-E364 WeakPolarHBondContact O-CB 3.45Å; T360-E364 PolarHBondContact O-N 3Å | ||
| 361 | A | 80.2 | Confident | 86.7 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 60% | 0.603 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.6 | -34.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I365 | A361-I365 WeakPolarHBondContact O-CD1 3.45Å; A361-I365 WeakPolarHBondContact O-CG1 3.2Å; A361-I365 PolarHBondContact O-N 2.95Å; A361-I365 VanDerWaalsContact O-N 3.15Å |
| 362 | E | 81.6 | Confident | 86.5 | Confident | 145 Ų | 145 | 63.7 Ų | 63.7 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.7 | -41.6 | 173.3 | -176.8 | 175.7 | -167.8 | 0 | 0 | 111.9 | T360 E364 N366 | T360-E362 PolarHBondContact O-N 3.03Å; E362-E364 VanDerWaalsContact C-N 3.34Å; E362-N366 WeakPolarHBondContact O-CB 3.49Å; E362-N366 PolarHBondContact O-N 3.45Å; E362-N366 PolarHBondContact O-ND2 3Å |
| 363 | N | 84 | Confident | 86.5 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 175.4 | -171 | 7 | 0 | 0 | 0 | 111.2 | M354 P358 T360 N366 Q367 | M354-N363 VanDerWaalsContact CG-OD1 3.25Å; M354-N363 WeakPolarHBondContact CG-OD1 3.35Å; P358-N363 PolarHBondContact O-ND2 2.81Å; T360-N363 WeakPolarHBondContact O-CA 3.42Å; T360-N363 WeakPolarHBondContact O-CB 3.23Å; T360-N363 PolarHBondContact O-N 3.31Å; T360-N363 VanDerWaalsContact OG1-CB 3.28Å; T360-N363 WeakPolarHBondContact OG1-CB 3.27Å; T360-N363 PolarHBondContact OG1-N 2.67Å; T360-N363 VanDerWaalsContact OG1-N 3.12Å; N363-N366 PolarHBondContact O-N 2.85Å; N363-Q367 PolarHBondContact ND2-NE2 3.18Å; N363-Q367 WeakPolarHBondContact O-CB 3.28Å; N363-Q367 VanDerWaalsContact O-CG 3.27Å; N363-Q367 WeakPolarHBondContact O-CG 3.47Å; N363-Q367 PolarHBondContact O-N 3.09Å; N363-Q367 PolarHBondContact OD1-NE2 2.99Å |
| 364 | E | 81.4 | Confident | 86.7 | Confident | 112 Ų | 112 | 60.3 Ų | 60.3 | 52% | 0.523 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 178.4 | -170.7 | 174.5 | -179.5 | 0 | 0 | 112.4 | L359 T360 E362 Q367 Q368 | L359-E364 HydrophobicContact CD1-CB 3.97Å; L359-E364 HydrophobicContact CD1-CG 4.32Å; T360-E364 WeakPolarHBondContact O-CB 3.45Å; T360-E364 PolarHBondContact O-N 3Å; E362-E364 VanDerWaalsContact C-N 3.34Å; E364-Q367 PolarHBondContact O-N 3.05Å; E364-Q368 PolarHBondContact O-N 3.25Å |
| 365 | I | 86.4 | Confident | 86.8 | Confident | 108 Ų | 108 | 59.8 Ų | 59.8 | 55% | 0.554 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.6 | -48.7 | 175 | -67.9 | 162 | 0 | 0 | 0 | 110.5 | A361 Q367 Q368 D369 | A361-I365 WeakPolarHBondContact O-CD1 3.45Å; A361-I365 WeakPolarHBondContact O-CG1 3.2Å; A361-I365 PolarHBondContact O-N 2.95Å; A361-I365 VanDerWaalsContact O-N 3.15Å; I365-Q367 VanDerWaalsContact C-N 3.32Å; I365-Q367 PolarHBondContact O-N 3.3Å; I365-Q368 PolarHBondContact O-N 2.79Å; I365-Q368 VanDerWaalsContact O-N 3.16Å; I365-D369 PolarHBondContact O-N 3.49Å |
| 366 | N | 88 | Confident | 87.1 | Confident | 63 Ų | 63 | 66.4 Ų | 66.4 | 34% | 0.337 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 178.7 | -79.3 | -74 | 0 | 0 | 0 | 112.3 | M354 E362 N363 D369 L370 | M354-N366 VanDerWaalsContact CE-C 3.42Å; M354-N366 HydrophobicContact CE-CB 3.53Å; M354-N366 HydrophobicContact SD-CB 4.29Å; E362-N366 WeakPolarHBondContact O-CB 3.49Å; E362-N366 PolarHBondContact O-N 3.45Å; E362-N366 PolarHBondContact O-ND2 3Å; N363-N366 PolarHBondContact O-N 2.85Å; N366-D369 PolarHBondContact O-N 3.37Å; N366-L370 VanDerWaalsContact O-CG 3.28Å; N366-L370 WeakPolarHBondContact O-CG 3.23Å; N366-L370 PolarHBondContact O-N 3.35Å |
| 367 | Q | 89.3 | Confident | 87.6 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 174.9 | -78.6 | 175.1 | 46.3 | 0 | 0 | 111.1 | L351 M354 N363 E364 I365 A371 | L351-Q367 HydrophobicContact CD1-CB 4.01Å; L351-Q367 HydrophobicContact CD1-CG 3.99Å; M354-Q367 HydrophobicContact CE-CB 4.25Å; M354-Q367 HydrophobicContact CE-CG 3.6Å; M354-Q367 VanDerWaalsContact CE-N 3.34Å; N363-Q367 PolarHBondContact ND2-NE2 3.18Å; N363-Q367 WeakPolarHBondContact O-CB 3.28Å; N363-Q367 VanDerWaalsContact O-CG 3.27Å; N363-Q367 WeakPolarHBondContact O-CG 3.47Å; N363-Q367 PolarHBondContact O-N 3.09Å; N363-Q367 PolarHBondContact OD1-NE2 2.99Å; E364-Q367 PolarHBondContact O-N 3.05Å; I365-Q367 VanDerWaalsContact C-N 3.32Å; I365-Q367 PolarHBondContact O-N 3.3Å; Q367-A371 VanDerWaalsContact O-CB 3.27Å; Q367-A371 WeakPolarHBondContact O-CB 3.25Å; Q367-A371 PolarHBondContact O-N 3.31Å |
| 368 | Q | 87.1 | Confident | 87.9 | Confident | 90 Ų | 90 | 59.4 Ų | 59.4 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 178.2 | -172.9 | 60 | 80.6 | 0 | 0 | 112.3 | E364 I365 A371 M372 | E364-Q368 PolarHBondContact O-N 3.25Å; I365-Q368 PolarHBondContact O-N 2.79Å; I365-Q368 VanDerWaalsContact O-N 3.16Å; Q368-A371 PolarHBondContact O-N 3.38Å; Q368-M372 WeakPolarHBondContact O-CB 3.46Å; Q368-M372 WeakPolarHBondContact O-CG 3.3Å; Q368-M372 PolarHBondContact O-N 3.09Å |
| 369 | D | 90.3 | Very high | 88.3 | Confident | 101 Ų | 101 | 54.8 Ų | 54.8 | 54% | 0.54 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68 | -43.3 | 177.3 | -80.4 | -27.6 | 0 | 0 | 0 | 112.5 | I365 N366 M372 A373 | I365-D369 PolarHBondContact O-N 3.49Å; N366-D369 PolarHBondContact O-N 3.37Å; D369-M372 PolarHBondContact O-N 2.71Å; D369-A373 PolarHBondContact O-N 2.87Å |
| 370 | L | 93.1 | Very high | 88.9 | Confident | 27 Ų | 27 | 54.8 Ų | 54.8 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 173.5 | -65.2 | -178.5 | 0 | 0 | 0 | 111.2 | V347 R350 L351 M354 N366 M372 A373 I374 | V347-L370 HydrophobicContact CG1-CB 4.28Å; V347-L370 HydrophobicContact CG1-CD2 3.93Å; R350-L370 HydrophobicContact CG-CD1 4Å; L351-L370 HydrophobicContact CB-CB 4.34Å; L351-L370 HydrophobicContact CB-CD1 4.39Å; L351-L370 HydrophobicContact CD1-CB 4.26Å; M354-L370 HydrophobicContact CE-CD1 3.55Å; M354-L370 HydrophobicContact CE-CG 4.35Å; M354-L370 HydrophobicContact SD-CD1 4.19Å; N366-L370 VanDerWaalsContact O-CG 3.28Å; N366-L370 WeakPolarHBondContact O-CG 3.23Å; N366-L370 PolarHBondContact O-N 3.35Å; L370-M372 VanDerWaalsContact C-N 3.31Å; L370-M372 PolarHBondContact O-N 3.3Å; L370-A373 PolarHBondContact O-N 3.29Å; L370-I374 VanDerWaalsContact O-CG1 3.31Å; L370-I374 WeakPolarHBondContact O-CG1 3.28Å; L370-I374 PolarHBondContact O-N 3.41Å |
| 371 | A | 91.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L284 P287 L351 Q367 Q368 S375 | L284-A371 HydrophobicContact CB-CB 4.3Å; L284-A371 HydrophobicContact CD2-CB 4.29Å; P287-A371 HydrophobicContact CG-CB 4.27Å; L351-A371 HydrophobicContact CD2-CB 3.96Å; Q367-A371 VanDerWaalsContact O-CB 3.27Å; Q367-A371 WeakPolarHBondContact O-CB 3.25Å; Q367-A371 PolarHBondContact O-N 3.31Å; Q368-A371 PolarHBondContact O-N 3.38Å; A371-S375 WeakPolarHBondContact O-CB 3.49Å; A371-S375 PolarHBondContact O-N 3.28Å; A371-S375 PolarHBondContact O-OG 3.49Å |
| 372 | M | 90.3 | Very high | 89.8 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.3 | -35.9 | 173.8 | -74.1 | -68.5 | -74.6 | 0 | 0 | 113 | Q368 D369 L370 R376 N1096 I1099 | Q368-M372 WeakPolarHBondContact O-CB 3.46Å; Q368-M372 WeakPolarHBondContact O-CG 3.3Å; Q368-M372 PolarHBondContact O-N 3.09Å; D369-M372 PolarHBondContact O-N 2.71Å; L370-M372 VanDerWaalsContact C-N 3.31Å; L370-M372 PolarHBondContact O-N 3.3Å; M372-R376 WeakPolarHBondContact O-CG 2.97Å; M372-R376 PolarHBondContact O-N 2.86Å; M372-N1096 WeakPolarHBondContact CE-OD1 3.47Å; M372-N1096 PolarHBondContact SD-OD1 3.09Å; M372-N1096 VanDerWaalsContact SD-OD1 3.38Å; M372-I1099 HydrophobicContact CE-CD1 3.67Å; M372-I1099 HydrophobicContact SD-CD1 4.26Å |
| 373 | A | 92.9 | Very high | 90.2 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 24% | 0.24 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.5 | -51 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D369 L370 S375 R376 S377 | D369-A373 PolarHBondContact O-N 2.87Å; L370-A373 PolarHBondContact O-N 3.29Å; A373-S375 VanDerWaalsContact C-N 3.33Å; A373-S375 PolarHBondContact O-N 3.01Å; A373-R376 PolarHBondContact O-N 3.37Å; A373-S377 PolarHBondContact O-N 2.87Å; A373-S377 VanDerWaalsContact O-N 3.09Å; A373-S377 PolarHBondContact O-OG 3.43Å |
| 374 | I | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 177.1 | -57 | 157.5 | 0 | 0 | 0 | 110.3 | L284 V344 V347 L351 L370 R376 S377 L378 | L284-I374 HydrophobicContact CD1-CB 3.92Å; L284-I374 HydrophobicContact CD1-CG2 3.66Å; L284-I374 HydrophobicContact CD2-CB 4.04Å; L284-I374 HydrophobicContact CD2-CD1 3.75Å; L284-I374 HydrophobicContact CD2-CG2 4.1Å; V344-I374 HydrophobicContact CG1-CG2 4.27Å; V344-I374 HydrophobicContact CG2-CG2 4.4Å; V347-I374 HydrophobicContact CB-CG1 3.97Å; V347-I374 HydrophobicContact CG1-CD1 4Å; V347-I374 HydrophobicContact CG1-CG1 3.61Å; L351-I374 HydrophobicContact CB-CD1 4.01Å; L351-I374 HydrophobicContact CD2-CD1 3.68Å; L370-I374 VanDerWaalsContact O-CG1 3.31Å; L370-I374 WeakPolarHBondContact O-CG1 3.28Å; L370-I374 PolarHBondContact O-N 3.41Å; I374-R376 VanDerWaalsContact C-N 3.3Å; I374-R376 PolarHBondContact O-N 3.3Å; I374-S377 PolarHBondContact O-N 3.32Å; I374-L378 HydrophobicContact CG2-CD1 3.87Å; I374-L378 HydrophobicContact CG2-CG 4.09Å; I374-L378 WeakPolarHBondContact O-CB 3.36Å; I374-L378 WeakPolarHBondContact O-CG 3.45Å; I374-L378 PolarHBondContact O-N 2.54Å |
| 375 | S | 92.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 39.9 Ų | 39.9 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.2 | -40.2 | 179.9 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | L284 A371 A373 A379 | L284-S375 WeakPolarHBondContact CD1-OG 3.29Å; A371-S375 WeakPolarHBondContact O-CB 3.49Å; A371-S375 PolarHBondContact O-N 3.28Å; A371-S375 PolarHBondContact O-OG 3.49Å; A373-S375 VanDerWaalsContact C-N 3.33Å; A373-S375 PolarHBondContact O-N 3.01Å; S375-A379 WeakPolarHBondContact O-CB 3.38Å; S375-A379 PolarHBondContact O-N 3.44Å; S375-A379 VanDerWaalsContact O-N 3.08Å |
| 376 | R | 92.2 | Very high | 90.7 | Very high | 141 Ų | 141 | 37 Ų | 37 | 53% | 0.532 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.7 | -43.5 | 176 | -71.6 | 171.5 | -175.6 | 154.7 | 5.5 | 112.1 | M372 A373 I374 A379 Y380 I1099 | M372-R376 WeakPolarHBondContact O-CG 2.97Å; M372-R376 PolarHBondContact O-N 2.86Å; A373-R376 PolarHBondContact O-N 3.37Å; I374-R376 VanDerWaalsContact C-N 3.3Å; I374-R376 PolarHBondContact O-N 3.3Å; R376-A379 PolarHBondContact O-N 2.86Å; R376-Y380 PolarHBondContact O-N 3.49Å; R376-I1099 HydrophobicContact CG-CD1 4.23Å |
| 377 | S | 94.8 | Very high | 90.6 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | H343 A373 I374 A379 Y380 I381 | H343-S377 PolarHBondContact CD2-OG 3.48Å; H343-S377 VanDerWaalsContact CD2-OG 3.3Å; A373-S377 PolarHBondContact O-N 2.87Å; A373-S377 VanDerWaalsContact O-N 3.09Å; A373-S377 PolarHBondContact O-OG 3.43Å; I374-S377 PolarHBondContact O-N 3.32Å; S377-A379 PolarHBondContact O-N 3.14Å; S377-Y380 PolarHBondContact O-N 2.78Å; S377-I381 WeakPolarHBondContact O-CD1 3.29Å; S377-I381 VanDerWaalsContact O-CG1 3.24Å; S377-I381 WeakPolarHBondContact O-CG1 3.49Å; S377-I381 PolarHBondContact O-N 3.12Å |
| 378 | L | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 173.6 | -75.1 | 174.8 | 0 | 0 | 0 | 112.4 | L277 A280 L284 L302 V344 I374 I381 W382 | L277-L378 HydrophobicContact CD1-CB 3.75Å; L277-L378 HydrophobicContact CD1-CD1 4.47Å; L277-L378 HydrophobicContact CD1-CD2 4.47Å; L277-L378 HydrophobicContact CD1-CG 4.47Å; A280-L378 HydrophobicContact CB-CD1 3.78Å; L284-L378 HydrophobicContact CD1-CD1 3.67Å; L302-L378 HydrophobicContact CD1-CD2 4.24Å; L302-L378 HydrophobicContact CD2-CD2 3.9Å; V344-L378 HydrophobicContact CG1-CD2 3.87Å; V344-L378 HydrophobicContact CG1-CG 4.4Å; V344-L378 HydrophobicContact CG2-CD2 3.96Å; V344-L378 HydrophobicContact CG2-CG 4Å; I374-L378 HydrophobicContact CG2-CD1 3.87Å; I374-L378 HydrophobicContact CG2-CG 4.09Å; I374-L378 WeakPolarHBondContact O-CB 3.36Å; I374-L378 WeakPolarHBondContact O-CG 3.45Å; I374-L378 PolarHBondContact O-N 2.54Å; L378-I381 PolarHBondContact O-N 3.38Å; L378-W382 WeakPolarHBondContact O-CB 3.38Å; L378-W382 PolarHBondContact O-N 3.15Å |
| 379 | A | 89.7 | Confident | 90.4 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S375 R376 S377 W382 Q383 V1103 | S375-A379 WeakPolarHBondContact O-CB 3.38Å; S375-A379 PolarHBondContact O-N 3.44Å; S375-A379 VanDerWaalsContact O-N 3.08Å; R376-A379 PolarHBondContact O-N 2.86Å; S377-A379 PolarHBondContact O-N 3.14Å; A379-W382 PolarHBondContact O-N 3.35Å; A379-Q383 WeakPolarHBondContact O-CG 3.4Å; A379-Q383 PolarHBondContact O-N 2.9Å; A379-V1103 HydrophobicContact CB-CG2 4.3Å |
| 380 | Y | 91.8 | Very high | 90.4 | Very high | 87 Ų | 87 | 29.7 Ų | 29.7 | 34% | 0.341 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -66.1 | -42.3 | 175.6 | 177.1 | -103 | 0 | 0 | 0 | 112.7 | A336 C337 A340 R376 S377 T384 | A336-Y380 HydrophobicContact CB-CE1 4.48Å; C337-Y380 HydrophobicContact CB-CE1 4.25Å; A340-Y380 HydrophobicContact CB-CD1 3.88Å; A340-Y380 HydrophobicContact CB-CE1 4.35Å; R376-Y380 PolarHBondContact O-N 3.49Å; S377-Y380 PolarHBondContact O-N 2.78Å; Y380-T384 WeakPolarHBondContact O-CB 3.44Å; Y380-T384 PolarHBondContact O-N 2.78Å; Y380-T384 PolarHBondContact O-OG1 3.29Å |
| 381 | I | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -48.7 | 173.9 | -66 | 159.1 | 0 | 0 | 0 | 109.5 | L302 A306 A340 C341 V344 S377 L378 T384 L385 | L302-I381 HydrophobicContact CD2-CB 4.48Å; L302-I381 HydrophobicContact CD2-CG2 3.79Å; A306-I381 HydrophobicContact CB-CG2 3.6Å; A340-I381 HydrophobicContact CB-CD1 4.18Å; A340-I381 HydrophobicContact CB-CG1 3.81Å; C341-I381 HydrophobicContact CB-CD1 4.48Å; V344-I381 HydrophobicContact CB-CD1 4.47Å; V344-I381 HydrophobicContact CG2-CD1 3.68Å; S377-I381 WeakPolarHBondContact O-CD1 3.29Å; S377-I381 VanDerWaalsContact O-CG1 3.24Å; S377-I381 WeakPolarHBondContact O-CG1 3.49Å; S377-I381 PolarHBondContact O-N 3.12Å; L378-I381 PolarHBondContact O-N 3.38Å; I381-T384 PolarHBondContact O-N 2.61Å; I381-L385 HydrophobicContact CG2-CD1 4.17Å; I381-L385 HydrophobicContact CG2-CG 4.34Å; I381-L385 WeakPolarHBondContact O-CG 3.5Å; I381-L385 PolarHBondContact O-N 2.94Å |
| 382 | W | 90.3 | Very high | 90 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 5% | 0.045 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.1 | -52.2 | -179.6 | -175.1 | -110.4 | 0 | 0 | 0 | 112.5 | L273 E274 L277 L378 A379 T384 L385 E386 K449 | L273-W382 HydrophobicContact CB-CZ3 4Å; E274-W382 HydrophobicContact CB-CH2 3.6Å; E274-W382 HydrophobicContact CB-CZ2 4.01Å; E274-W382 HydrophobicContact CB-CZ3 4.28Å; E274-W382 HydrophobicContact CG-CH2 4.19Å; E274-W382 HydrophobicContact CG-CZ2 4.07Å; L277-W382 HydrophobicContact CD2-CB 3.79Å; L277-W382 HydrophobicContact CD2-CD2 3.7Å; L277-W382 HydrophobicContact CD2-CE3 4.21Å; L277-W382 HydrophobicContact CD2-CG 3.46Å; L277-W382 VanDerWaalsContact CD2-CG 3.46Å; L378-W382 WeakPolarHBondContact O-CB 3.38Å; L378-W382 PolarHBondContact O-N 3.15Å; A379-W382 PolarHBondContact O-N 3.35Å; W382-T384 PolarHBondContact O-N 2.85Å; W382-L385 PolarHBondContact O-N 2.72Å; W382-L385 VanDerWaalsContact O-N 3.08Å; W382-E386 HydrophobicContact CD2-CG 4.33Å; W382-E386 HydrophobicContact CZ2-CG 4.07Å; W382-E386 PolarHBondContact NE1-OE1 2.74Å; W382-E386 VanDerWaalsContact NE1-OE1 3.11Å; W382-E386 WeakPolarHBondContact O-CG 3.37Å; W382-E386 PolarHBondContact O-N 3.09Å; W382-K449 HydrophobicContact CH2-CB 4.26Å; W382-K449 HydrophobicContact CZ2-CB 4.46Å; W382-K449 HydrophobicContact CZ2-CD 4.27Å; W382-K449 HydrophobicContact CZ2-CG 4.4Å |
| 383 | Q | 88.9 | Confident | 90.1 | Very high | 88 Ų | 88 | 32 Ų | 32 | 41% | 0.411 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.7 | -35.4 | 178.1 | -71.4 | 172.7 | 1.8 | 0 | 0 | 112.6 | A379 K387 I1102 | A379-Q383 WeakPolarHBondContact O-CG 3.4Å; A379-Q383 PolarHBondContact O-N 2.9Å; Q383-K387 WeakPolarHBondContact O-CB 3.2Å; Q383-K387 PolarHBondContact O-N 2.8Å; Q383-I1102 PolarHBondContact NE2-O 3.34Å |
| 384 | T | 89 | Confident | 90 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 6% | 0.055 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68 | -43.7 | 175.1 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | C337 Y380 I381 W382 K387 L388 | C337-T384 HydrophobicContact CB-CG2 3.85Å; Y380-T384 WeakPolarHBondContact O-CB 3.44Å; Y380-T384 PolarHBondContact O-N 2.78Å; Y380-T384 PolarHBondContact O-OG1 3.29Å; I381-T384 PolarHBondContact O-N 2.61Å; W382-T384 PolarHBondContact O-N 2.85Å; T384-K387 PolarHBondContact O-N 3.23Å; T384-L388 HydrophobicContact CG2-CD1 4.08Å; T384-L388 HydrophobicContact CG2-CG 4.5Å; T384-L388 WeakPolarHBondContact O-CB 3.34Å; T384-L388 VanDerWaalsContact O-CG 3.31Å; T384-L388 WeakPolarHBondContact O-CG 3.37Å; T384-L388 PolarHBondContact O-N 3.25Å |
| 385 | L | 87.2 | Confident | 89.7 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.5 | -68 | -177.7 | 0 | 0 | 0 | 112.3 | L273 A306 I309 I381 W382 L388 L389 | L273-L385 HydrophobicContact CD1-CD1 4.42Å; A306-L385 HydrophobicContact CB-CD1 3.81Å; A306-L385 HydrophobicContact CB-CD2 4.08Å; A306-L385 HydrophobicContact CB-CG 4.27Å; I309-L385 HydrophobicContact CB-CD2 3.96Å; I309-L385 HydrophobicContact CD1-CD1 4.15Å; I309-L385 HydrophobicContact CD1-CD2 3.87Å; I309-L385 HydrophobicContact CG1-CD2 4.47Å; I309-L385 HydrophobicContact CG2-CD2 4.02Å; I381-L385 HydrophobicContact CG2-CD1 4.17Å; I381-L385 HydrophobicContact CG2-CG 4.34Å; I381-L385 WeakPolarHBondContact O-CG 3.5Å; I381-L385 PolarHBondContact O-N 2.94Å; W382-L385 PolarHBondContact O-N 2.72Å; W382-L385 VanDerWaalsContact O-N 3.08Å; L385-L388 PolarHBondContact O-N 2.81Å; L385-L389 WeakPolarHBondContact O-CB 3.42Å; L385-L389 PolarHBondContact O-N 3.41Å |
| 386 | E | 86.1 | Confident | 89.8 | Confident | 48 Ų | 48 | 34.4 Ų | 34.4 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.6 | -70.7 | -171.7 | 129.8 | 0 | 0 | 112 | W382 T390 K449 | W382-E386 HydrophobicContact CD2-CG 4.33Å; W382-E386 HydrophobicContact CZ2-CG 4.07Å; W382-E386 PolarHBondContact NE1-OE1 2.74Å; W382-E386 VanDerWaalsContact NE1-OE1 3.11Å; W382-E386 WeakPolarHBondContact O-CG 3.37Å; W382-E386 PolarHBondContact O-N 3.09Å; E386-T390 WeakPolarHBondContact O-CB 3.31Å; E386-T390 PolarHBondContact O-N 3.1Å; E386-T390 PolarHBondContact O-OG1 2.87Å; E386-K449 HydrophobicContact CG-CD 4.39Å; E386-K449 IonicContact OE1-NZ 2.74Å; E386-K449 PolarHBondContact OE1-NZ 3.17Å |
| 387 | K | 85.5 | Confident | 89.8 | Confident | 93 Ų | 93 | 27.7 Ų | 27.7 | 40% | 0.404 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -58.9 | -49 | 174 | -179.2 | -159.8 | 166.6 | -157.5 | 0 | 111 | D330 Q383 T384 R391 | D330-K387 IonicContact OD1-NZ 3.33Å; D330-K387 PolarHBondContact OD1-NZ 2.89Å; Q383-K387 WeakPolarHBondContact O-CB 3.2Å; Q383-K387 PolarHBondContact O-N 2.8Å; T384-K387 PolarHBondContact O-N 3.23Å; K387-R391 WeakPolarHBondContact O-CB 3.18Å; K387-R391 PolarHBondContact O-N 2.94Å |
| 388 | L | 85.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.9 | -49.9 | -178.5 | -73.5 | 171.5 | 0 | 0 | 0 | 111.9 | I310 T384 L385 T390 R391 Q392 | I310-L388 HydrophobicContact CG1-CD1 3.9Å; T384-L388 HydrophobicContact CG2-CD1 4.08Å; T384-L388 HydrophobicContact CG2-CG 4.5Å; T384-L388 WeakPolarHBondContact O-CB 3.34Å; T384-L388 VanDerWaalsContact O-CG 3.31Å; T384-L388 WeakPolarHBondContact O-CG 3.37Å; T384-L388 PolarHBondContact O-N 3.25Å; L385-L388 PolarHBondContact O-N 2.81Å; L388-T390 PolarHBondContact O-N 2.92Å; L388-R391 PolarHBondContact O-N 3.46Å; L388-Q392 WeakPolarHBondContact O-CB 3.29Å; L388-Q392 PolarHBondContact O-N 2.69Å |
| 389 | L | 87.1 | Confident | 89.7 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -54.7 | -51.7 | 175.6 | 176.2 | 71.3 | 0 | 0 | 0 | 111.1 | L385 R391 Q392 I393 L444 A445 T448 K449 | L385-L389 WeakPolarHBondContact O-CB 3.42Å; L385-L389 PolarHBondContact O-N 3.41Å; L389-R391 VanDerWaalsContact C-N 3.33Å; L389-R391 PolarHBondContact O-N 3.15Å; L389-Q392 PolarHBondContact O-N 3.49Å; L389-I393 HydrophobicContact CD1-CD1 3.71Å; L389-I393 HydrophobicContact CD1-CG1 4.35Å; L389-I393 HydrophobicContact CG-CD1 3.74Å; L389-I393 WeakPolarHBondContact O-CB 3.41Å; L389-I393 VanDerWaalsContact O-CG1 3.29Å; L389-I393 WeakPolarHBondContact O-CG1 3.44Å; L389-I393 PolarHBondContact O-N 2.9Å; L389-L444 HydrophobicContact CD1-CD2 3.95Å; L389-L444 HydrophobicContact CD1-CG 3.78Å; L389-A445 HydrophobicContact CD1-CB 4.28Å; L389-T448 HydrophobicContact CD2-CG2 4.5Å; L389-T448 VanDerWaalsContact CD2-OG1 3.31Å; L389-T448 WeakPolarHBondContact CD2-OG1 3.43Å; L389-K449 HydrophobicContact CD2-CB 4.22Å |
| 390 | T | 89.9 | Confident | 89.9 | Confident | 12 Ų | 12 | 29.3 Ų | 29.3 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.1 | -43.5 | -179.9 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | E386 L388 A394 V527 A531 A535 | E386-T390 WeakPolarHBondContact O-CB 3.31Å; E386-T390 PolarHBondContact O-N 3.1Å; E386-T390 PolarHBondContact O-OG1 2.87Å; L388-T390 PolarHBondContact O-N 2.92Å; T390-A394 WeakPolarHBondContact O-CB 3.23Å; T390-A394 PolarHBondContact O-N 3.36Å; T390-V527 HydrophobicContact CG2-CG1 3.65Å; T390-A531 VanDerWaalsContact CG2-C 3.48Å; T390-A531 HydrophobicContact CG2-CB 3.93Å; T390-A531 WeakPolarHBondContact CG2-O 3.22Å; T390-A535 HydrophobicContact CG2-CB 4.04Å |
| 391 | R | 87.8 | Confident | 90 | Very high | 62 Ų | 62 | 27 Ų | 27 | 23% | 0.234 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -50 | 176.3 | -175.9 | 177.7 | 66.4 | 135.9 | 13.9 | 111.3 | D330 K387 L388 L389 I393 A394 E395 | D330-R391 IonicContact OD2-CZ 3.91Å; D330-R391 IonicContact OD2-NH1 2.68Å; D330-R391 PolarHBondContact OD2-NH1 3.35Å; K387-R391 WeakPolarHBondContact O-CB 3.18Å; K387-R391 PolarHBondContact O-N 2.94Å; L388-R391 PolarHBondContact O-N 3.46Å; L389-R391 VanDerWaalsContact C-N 3.33Å; L389-R391 PolarHBondContact O-N 3.15Å; R391-I393 PolarHBondContact O-N 3.02Å; R391-A394 PolarHBondContact O-N 2.77Å; R391-E395 WeakPolarHBondContact O-CG 3.36Å; R391-E395 PolarHBondContact O-N 3.29Å |
| 392 | Q | 88.9 | Confident | 90.1 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | -178.2 | -168.6 | 175.1 | 13.2 | 0 | 0 | 111.9 | L388 L389 E395 V396 T441 | L388-Q392 WeakPolarHBondContact O-CB 3.29Å; L388-Q392 PolarHBondContact O-N 2.69Å; L389-Q392 PolarHBondContact O-N 3.49Å; Q392-E395 PolarHBondContact O-N 3.49Å; Q392-V396 HydrophobicContact CG-CG2 4.14Å; Q392-V396 WeakPolarHBondContact O-CB 3.26Å; Q392-V396 WeakPolarHBondContact O-CG2 3.28Å; Q392-V396 PolarHBondContact O-N 3.39Å; Q392-T441 HydrophobicContact CG-CG2 3.98Å |
| 393 | I | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -50.7 | 172.9 | -70.4 | 169.3 | 0 | 0 | 0 | 110.7 | L389 R391 E395 Y397 T441 A445 V523 V527 F532 | L389-I393 HydrophobicContact CD1-CD1 3.71Å; L389-I393 HydrophobicContact CD1-CG1 4.35Å; L389-I393 HydrophobicContact CG-CD1 3.74Å; L389-I393 WeakPolarHBondContact O-CB 3.41Å; L389-I393 VanDerWaalsContact O-CG1 3.29Å; L389-I393 WeakPolarHBondContact O-CG1 3.44Å; L389-I393 PolarHBondContact O-N 2.9Å; R391-I393 PolarHBondContact O-N 3.02Å; I393-E395 PolarHBondContact O-N 3.09Å; I393-E395 VanDerWaalsContact O-N 3.15Å; I393-Y397 WeakPolarHBondContact O-CA 3.07Å; I393-Y397 WeakPolarHBondContact O-CB 3.26Å; I393-Y397 PolarHBondContact O-N 3.05Å; I393-T441 HydrophobicContact CG1-CG2 3.82Å; I393-A445 HydrophobicContact CD1-CB 4.41Å; I393-V523 HydrophobicContact CB-CG1 4.14Å; I393-V523 HydrophobicContact CD1-CG1 3.49Å; I393-V523 VanDerWaalsContact CD1-CG1 3.49Å; I393-V523 HydrophobicContact CG1-CG1 3.47Å; I393-V523 VanDerWaalsContact CG1-CG1 3.47Å; I393-V523 HydrophobicContact CG2-CG1 3.61Å; I393-V527 HydrophobicContact CD1-CG2 3.41Å; I393-V527 VanDerWaalsContact CD1-CG2 3.41Å; I393-V527 HydrophobicContact CG2-CG2 4.46Å; I393-F532 HydrophobicContact CG2-CE2 4.2Å |
| 394 | A | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.1 | -26.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T390 R391 T398 F532 A535 Q536 R569 | T390-A394 WeakPolarHBondContact O-CB 3.23Å; T390-A394 PolarHBondContact O-N 3.36Å; R391-A394 PolarHBondContact O-N 2.77Å; A394-T398 PolarHBondContact O-OG1 3.42Å; A394-F532 HydrophobicContact CB-CD2 4.38Å; A394-F532 HydrophobicContact CB-CE2 4.32Å; A394-A535 HydrophobicContact CB-CB 3.73Å; A394-Q536 HydrophobicContact CB-CG 4.39Å; A394-Q536 PolarHBondContact O-NE2 3.08Å; A394-R569 PolarHBondContact O-NH1 3.13Å; A394-R569 VanDerWaalsContact O-NH1 3.09Å |
| 395 | E | 89.8 | Confident | 91 | Very high | 62 Ų | 62 | 28.1 Ų | 28.1 | 29% | 0.29 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -85.7 | -62.6 | 175.7 | -69.4 | 178.5 | 146.9 | 0 | 0 | 112.8 | R391 Q392 I393 Y397 T398 R542 | R391-E395 WeakPolarHBondContact O-CG 3.36Å; R391-E395 PolarHBondContact O-N 3.29Å; Q392-E395 PolarHBondContact O-N 3.49Å; I393-E395 PolarHBondContact O-N 3.09Å; I393-E395 VanDerWaalsContact O-N 3.15Å; E395-Y397 VanDerWaalsContact C-N 3.3Å; E395-Y397 PolarHBondContact O-N 3.09Å; E395-T398 WeakPolarHBondContact O-CB 3.31Å; E395-T398 PolarHBondContact O-N 3.32Å; E395-R542 IonicContact OE1-CZ 2.78Å; E395-R542 IonicContact OE1-NH1 3.69Å; E395-R542 PolarHBondContact OE1-NH1 3.13Å; E395-R542 IonicContact OE1-NH2 3.35Å; E395-R542 PolarHBondContact OE1-NH2 3.03Å |
| 396 | V | 92.7 | Very high | 91.4 | Very high | 34 Ų | 34 | 32.1 Ų | 32.1 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | -174.9 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | Q392 T398 Q437 L438 | Q392-V396 HydrophobicContact CG-CG2 4.14Å; Q392-V396 WeakPolarHBondContact O-CB 3.26Å; Q392-V396 WeakPolarHBondContact O-CG2 3.28Å; Q392-V396 PolarHBondContact O-N 3.39Å; V396-T398 VanDerWaalsContact C-N 3.34Å; V396-T398 PolarHBondContact O-N 3.15Å; V396-Q437 HydrophobicContact CG1-CB 4.15Å; V396-L438 HydrophobicContact CG1-CD2 3.98Å; V396-L438 HydrophobicContact CG1-CG 4.33Å |
| 397 | Y | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 25.1 | 175.7 | -66.3 | -98.3 | 0 | 0 | 0 | 113.4 | I393 E395 L400 L438 T441 M519 R520 V523 R572 | I393-Y397 WeakPolarHBondContact O-CA 3.07Å; I393-Y397 WeakPolarHBondContact O-CB 3.26Å; I393-Y397 PolarHBondContact O-N 3.05Å; E395-Y397 VanDerWaalsContact C-N 3.3Å; E395-Y397 PolarHBondContact O-N 3.09Å; Y397-L400 HydrophobicContact CD1-CD1 4.21Å; Y397-L400 HydrophobicContact CE1-CD1 4.45Å; Y397-L438 HydrophobicContact CD1-CD2 3.75Å; Y397-L438 HydrophobicContact CD2-CD2 4.29Å; Y397-L438 HydrophobicContact CE1-CD2 3.45Å; Y397-L438 VanDerWaalsContact CE1-CD2 3.45Å; Y397-L438 HydrophobicContact CE2-CD2 4.01Å; Y397-L438 HydrophobicContact CG-CD2 4.16Å; Y397-L438 PolarHBondContact OH-O 2.96Å; Y397-T441 HydrophobicContact CD2-CG2 4.31Å; Y397-T441 HydrophobicContact CE2-CG2 3.9Å; Y397-M519 WeakPolarHBondContact OH-CE 3.33Å; Y397-M519 PolarHBondContact OH-SD 3.18Å; Y397-R520 VanDerWaalsContact C-NH2 3.27Å; Y397-R520 HydrophobicContact CD1-CB 3.68Å; Y397-R520 HydrophobicContact CD1-CG 4Å; Y397-R520 HydrophobicContact CE1-CB 3.97Å; Y397-R520 VanDerWaalsContact O-CZ 3.22Å; Y397-R520 PolarHBondContact O-NH2 3.34Å; Y397-V523 HydrophobicContact CD2-CG1 4.17Å; Y397-V523 HydrophobicContact CE2-CG1 4.02Å; Y397-R572 WeakPolarHBondContact O-CD 3.25Å; Y397-R572 PolarHBondContact O-NH1 3.43Å |
| 398 | T | 92.2 | Very high | 92.4 | Very high | 14 Ų | 14 | 26.9 Ų | 26.9 | 9% | 0.086 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -55.9 | 162 | -76.6 | 0 | 0 | 0 | 0 | 110.6 | A394 E395 V396 R568 R569 | A394-T398 PolarHBondContact O-OG1 3.42Å; E395-T398 WeakPolarHBondContact O-CB 3.31Å; E395-T398 PolarHBondContact O-N 3.32Å; V396-T398 VanDerWaalsContact C-N 3.34Å; V396-T398 PolarHBondContact O-N 3.15Å; T398-R568 HydrophobicContact CG2-CB 3.88Å; T398-R569 HydrophobicContact CG2-CG 3.94Å; T398-R569 PolarHBondContact OG1-NH1 2.73Å |
| 399 | D | 92.9 | Very high | 92.8 | Very high | 44 Ų | 44 | 29.5 Ų | 29.5 | 24% | 0.235 | 14% | 0.144 | C | C | . | . | trans | -112.1 | 110.6 | -175.4 | -177 | 20.8 | 0 | 0 | 0 | 110.7 | G402 Q434 R568 | D399-G402 WeakPolarHBondContact OD1-CA 3.45Å; D399-G402 PolarHBondContact OD1-N 3.04Å; D399-G402 WeakPolarHBondContact OD2-CA 3.36Å; D399-Q434 PolarHBondContact O-NE2 2.92Å; D399-R568 IonicContact OD1-NH1 3.42Å; D399-R568 PolarHBondContact OD1-NH1 3.06Å; D399-R568 IonicContact OD2-CZ 2.65Å; D399-R568 IonicContact OD2-NH1 3.21Å; D399-R568 PolarHBondContact OD2-NH1 3.29Å | ||
| 400 | L | 93.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -88.3 | -43.6 | 179.4 | -153.2 | 62.6 | 0 | 0 | 0 | 112.2 | Y397 Q434 L438 W512 A516 E517 | Y397-L400 HydrophobicContact CD1-CD1 4.21Å; Y397-L400 HydrophobicContact CE1-CD1 4.45Å; L400-Q434 PolarHBondContact O-NE2 3.03Å; L400-Q434 VanDerWaalsContact O-NE2 3.1Å; L400-L438 HydrophobicContact CD1-CD1 4.21Å; L400-L438 HydrophobicContact CD1-CD2 3.85Å; L400-W512 HydrophobicContact CG-CZ3 4.46Å; L400-W512 WeakPolarHBondContact O-CH2 3.14Å; L400-A516 HydrophobicContact CD1-CB 3.89Å; L400-A516 HydrophobicContact CD2-CB 3.78Å; L400-A516 HydrophobicContact CG-CB 3.87Å; L400-E517 HydrophobicContact CD2-CB 4.35Å; L400-E517 HydrophobicContact CD2-CG 3.39Å |
| 401 | V | 94.2 | Very high | 93.4 | Very high | 38 Ų | 38 | 29.2 Ų | 29.2 | 23% | 0.23 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -111.8 | -4.8 | -162.4 | -154.8 | 0 | 0 | 0 | 0 | 112.4 | L404 R405 T513 | V401-L404 HydrophobicContact CG1-CB 4.13Å; V401-L404 HydrophobicContact CG1-CD2 4.26Å; V401-L404 HydrophobicContact CG1-CG 4.35Å; V401-L404 CarbonylContact O-C 2.88Å; V401-L404 PolarHBondContact O-N 3.14Å; V401-R405 WeakPolarHBondContact O-CB 3.34Å; V401-R405 PolarHBondContact O-N 3.08Å; V401-T513 HydrophobicContact CG2-CG2 4.17Å |
| 402 | G | 93.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 12% | 0.124 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -52.6 | -59.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D399 L404 R405 Q406 | D399-G402 WeakPolarHBondContact OD1-CA 3.45Å; D399-G402 PolarHBondContact OD1-N 3.04Å; D399-G402 WeakPolarHBondContact OD2-CA 3.36Å; G402-L404 VanDerWaalsContact C-N 3.34Å; G402-L404 PolarHBondContact O-N 3.13Å; G402-R405 WeakPolarHBondContact O-CB 3.32Å; G402-R405 PolarHBondContact O-N 3.21Å; G402-R405 VanDerWaalsContact O-N 3.14Å; G402-Q406 PolarHBondContact O-N 3.39Å |
| 403 | P | 95.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 27.3 Ų | 27.3 | 14% | 0.143 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.9 | -37.6 | 176 | -27.1 | 37.5 | 0 | 0 | 0 | 113.5 | R405 Q406 L407 F431 Q434 | P403-R405 VanDerWaalsContact C-N 3.32Å; P403-R405 PolarHBondContact O-N 2.99Å; P403-Q406 PolarHBondContact O-N 3.13Å; P403-L407 WeakPolarHBondContact O-CB 3.44Å; P403-L407 PolarHBondContact O-N 3.39Å; P403-F431 HydrophobicContact CB-CB 4.26Å; P403-Q434 HydrophobicContact CG-CB 4.41Å; P403-Q434 HydrophobicContact CG-CG 4.42Å; P403-Q434 VanDerWaalsContact CG-OE1 3.27Å |
| 404 | L | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -33.3 | 174.3 | -178.7 | 51.9 | 0 | 0 | 0 | 112.7 | V401 G402 L407 F408 F431 V473 R509 W512 | V401-L404 HydrophobicContact CG1-CB 4.13Å; V401-L404 HydrophobicContact CG1-CD2 4.26Å; V401-L404 HydrophobicContact CG1-CG 4.35Å; V401-L404 CarbonylContact O-C 2.88Å; V401-L404 PolarHBondContact O-N 3.14Å; G402-L404 VanDerWaalsContact C-N 3.34Å; G402-L404 PolarHBondContact O-N 3.13Å; L404-L407 HydrophobicContact CD1-CD2 4.15Å; L404-L407 PolarHBondContact O-N 3.14Å; L404-F408 WeakPolarHBondContact O-CB 3.38Å; L404-F408 PolarHBondContact O-N 2.83Å; L404-F431 HydrophobicContact CB-CD2 3.83Å; L404-F431 HydrophobicContact CB-CE2 3.72Å; L404-F431 HydrophobicContact CD1-CD2 4.35Å; L404-F431 HydrophobicContact CD1-CE1 4.39Å; L404-F431 HydrophobicContact CD1-CE2 3.94Å; L404-F431 HydrophobicContact CD1-CZ 3.95Å; L404-F431 HydrophobicContact CD2-CE2 4.12Å; L404-F431 HydrophobicContact CD2-CZ 4.39Å; L404-F431 HydrophobicContact CG-CE2 4.13Å; L404-V473 HydrophobicContact CD1-CG1 3.62Å; L404-R509 HydrophobicContact CD1-CG 4.18Å; L404-R509 HydrophobicContact CD2-CG 3.82Å; L404-R509 HydrophobicContact CG-CG 3.93Å; L404-W512 HydrophobicContact CD2-CD2 4.03Å; L404-W512 HydrophobicContact CD2-CE3 3.35Å; L404-W512 HydrophobicContact CD2-CZ3 3.79Å |
| 405 | R | 95.5 | Very high | 92.8 | Very high | 99 Ų | 99 | 34.9 Ų | 34.9 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.7 | -38.8 | 174.1 | -167.4 | -172.7 | -63.1 | -176.6 | 0 | 111.1 | V401 G402 P403 F408 E409 I723 T724 | V401-R405 WeakPolarHBondContact O-CB 3.34Å; V401-R405 PolarHBondContact O-N 3.08Å; G402-R405 WeakPolarHBondContact O-CB 3.32Å; G402-R405 PolarHBondContact O-N 3.21Å; G402-R405 VanDerWaalsContact O-N 3.14Å; P403-R405 VanDerWaalsContact C-N 3.32Å; P403-R405 PolarHBondContact O-N 2.99Å; R405-F408 PolarHBondContact O-N 3.36Å; R405-E409 PolarHBondContact O-N 3.34Å; R405-I723 VanDerWaalsContact CZ-O 3.3Å; R405-I723 PolarHBondContact NH1-O 3.44Å; R405-I723 PolarHBondContact NH2-O 2.95Å; R405-T724 PolarHBondContact NH1-O 3.4Å |
| 406 | Q | 95 | Very high | 92.1 | Very high | 86 Ų | 86 | 35.1 Ų | 35.1 | 40% | 0.402 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 173.9 | -64.1 | -178.9 | 35.3 | 0 | 0 | 111.9 | G402 P403 F408 S410 K427 E430 | G402-Q406 PolarHBondContact O-N 3.39Å; P403-Q406 PolarHBondContact O-N 3.13Å; Q406-F408 VanDerWaalsContact C-N 3.26Å; Q406-F408 PolarHBondContact O-N 2.92Å; Q406-S410 WeakPolarHBondContact O-CB 3.47Å; Q406-S410 PolarHBondContact O-N 2.98Å; Q406-S410 PolarHBondContact O-OG 3.5Å; Q406-K427 HydrophobicContact CB-CD 4Å; Q406-K427 HydrophobicContact CB-CG 4.24Å; Q406-K427 VanDerWaalsContact OE1-CE 3.3Å; Q406-E430 PolarHBondContact OE1-OE2 3.05Å |
| 407 | L | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.5 | -34.9 | 170.5 | -174.4 | 69.1 | 0 | 0 | 0 | 112.1 | P403 L404 S410 A411 Y424 K427 M428 F431 V473 V474 F505 | P403-L407 WeakPolarHBondContact O-CB 3.44Å; P403-L407 PolarHBondContact O-N 3.39Å; L404-L407 HydrophobicContact CD1-CD2 4.15Å; L404-L407 PolarHBondContact O-N 3.14Å; L407-S410 WeakPolarHBondContact CA-OG 3.36Å; L407-S410 PolarHBondContact O-OG 3.04Å; L407-S410 VanDerWaalsContact O-OG 3.13Å; L407-A411 PolarHBondContact O-N 3.25Å; L407-Y424 HydrophobicContact CD1-CD2 3.88Å; L407-Y424 HydrophobicContact CD1-CE1 4.5Å; L407-Y424 HydrophobicContact CD1-CE2 3.29Å; L407-Y424 HydrophobicContact CG-CE2 3.88Å; L407-K427 HydrophobicContact CB-CB 4.49Å; L407-K427 HydrophobicContact CD1-CB 4.28Å; L407-M428 HydrophobicContact CD1-CB 4.17Å; L407-F431 HydrophobicContact CD2-CB 4.27Å; L407-F431 HydrophobicContact CD2-CD1 3.57Å; L407-F431 HydrophobicContact CD2-CE1 4.1Å; L407-F431 HydrophobicContact CD2-CG 4.01Å; L407-V473 HydrophobicContact CD2-CG1 4.34Å; L407-V474 HydrophobicContact CD2-CG2 3.85Å; L407-F505 HydrophobicContact CG-CZ 4.47Å |
| 408 | F | 95.4 | Very high | 91.4 | Very high | 31 Ų | 31 | 44 Ų | 44 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.1 | -47.8 | 177.4 | -165.2 | -85.9 | 0 | 0 | 0 | 112.4 | L404 R405 Q406 S410 A411 S412 F505 L506 | L404-F408 WeakPolarHBondContact O-CB 3.38Å; L404-F408 PolarHBondContact O-N 2.83Å; R405-F408 PolarHBondContact O-N 3.36Å; Q406-F408 VanDerWaalsContact C-N 3.26Å; Q406-F408 PolarHBondContact O-N 2.92Å; F408-S410 PolarHBondContact O-N 3.14Å; F408-A411 PolarHBondContact O-N 3.44Å; F408-S412 PolarHBondContact O-N 3.32Å; F408-F505 HydrophobicContact CB-CE1 4.29Å; F408-F505 HydrophobicContact CB-CZ 4.46Å; F408-F505 AromaticContact CD2-CD1 3.54Å; F408-F505 HydrophobicContact CD2-CD1 3.54Å; F408-F505 AromaticContact CD2-CE1 3.24Å; F408-F505 HydrophobicContact CD2-CE1 3.24Å; F408-F505 HydrophobicContact CD2-CG 4.35Å; F408-F505 AromaticContact CD2-CZ 3.83Å; F408-F505 HydrophobicContact CD2-CZ 3.83Å; F408-F505 AromaticContact CE2-CD1 3.45Å; F408-F505 HydrophobicContact CE2-CD1 3.45Å; F408-F505 VanDerWaalsContact CE2-CD1 3.45Å; F408-F505 AromaticContact CE2-CE1 3.69Å; F408-F505 HydrophobicContact CE2-CE1 3.69Å; F408-F505 HydrophobicContact CE2-CG 4.19Å; F408-F505 AromaticContact CG-CE1 3.98Å; F408-F505 HydrophobicContact CG-CE1 3.98Å; F408-F505 HydrophobicContact CZ-CD1 4.42Å; F408-L506 HydrophobicContact CE1-CD2 4.37Å; F408-L506 HydrophobicContact CE2-CD2 3.56Å; F408-L506 HydrophobicContact CE2-CG 3.93Å; F408-L506 HydrophobicContact CZ-CD2 3.42Å; F408-L506 VanDerWaalsContact CZ-CD2 3.42Å; F408-L506 HydrophobicContact CZ-CG 3.85Å |
| 409 | E | 94.3 | Very high | 91.3 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 178.9 | -174.2 | 69.7 | -151.8 | 0 | 0 | 111.8 | R405 A411 S412 P413 S414 H728 | R405-E409 PolarHBondContact O-N 3.34Å; E409-A411 VanDerWaalsContact C-N 3.29Å; E409-A411 PolarHBondContact O-N 2.77Å; E409-S412 CarbonylContact O-C 3.58Å; E409-S412 PolarHBondContact O-N 2.69Å; E409-P413 VanDerWaalsContact O-CA 3.27Å; E409-P413 WeakPolarHBondContact O-CA 3.31Å; E409-P413 VanDerWaalsContact O-N 3.08Å; E409-S414 WeakPolarHBondContact OE1-CB 3.39Å; E409-S414 PolarHBondContact OE1-N 3.18Å; E409-S414 PolarHBondContact OE1-OG 3.01Å; E409-S414 PolarHBondContact OE2-OG 2.96Å; E409-H728 IonicContact OE1-CE1 3.71Å; E409-H728 IonicContact OE1-NE2 3.7Å; E409-H728 PolarHBondContact OE1-NE2 3.12Å; E409-H728 IonicContact OE2-NE2 2.82Å; E409-H728 PolarHBondContact OE2-NE2 3.43Å |
| 410 | S | 94.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -27.7 | 176.2 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | Q406 L407 F408 P419 D423 | Q406-S410 WeakPolarHBondContact O-CB 3.47Å; Q406-S410 PolarHBondContact O-N 2.98Å; Q406-S410 PolarHBondContact O-OG 3.5Å; L407-S410 WeakPolarHBondContact CA-OG 3.36Å; L407-S410 PolarHBondContact O-OG 3.04Å; L407-S410 VanDerWaalsContact O-OG 3.13Å; F408-S410 PolarHBondContact O-N 3.14Å; S410-P419 WeakPolarHBondContact O-CB 3.4Å; S410-D423 WeakPolarHBondContact CB-OD2 3.48Å |
| 411 | A | 94 | Very high | 91.1 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -86 | -23.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L407 F408 E409 Y424 V480 V481 F505 | L407-A411 PolarHBondContact O-N 3.25Å; F408-A411 PolarHBondContact O-N 3.44Å; E409-A411 VanDerWaalsContact C-N 3.29Å; E409-A411 PolarHBondContact O-N 2.77Å; A411-Y424 HydrophobicContact CB-CD2 3.85Å; A411-Y424 HydrophobicContact CB-CE2 3.73Å; A411-V480 WeakPolarHBondContact O-CG1 3.33Å; A411-V481 HydrophobicContact CB-CG2 3.97Å; A411-F505 HydrophobicContact CB-CE1 3.8Å; A411-F505 HydrophobicContact CB-CZ 4.44Å |
| 412 | S | 90.7 | Very high | 91.1 | Very high | 29 Ų | 29 | 53.6 Ų | 53.6 | 20% | 0.203 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -143.7 | 76.2 | -179 | -74.8 | 0 | 0 | 0 | 0 | 110.9 | F408 E409 S414 V480 | F408-S412 PolarHBondContact O-N 3.32Å; E409-S412 CarbonylContact O-C 3.58Å; E409-S412 PolarHBondContact O-N 2.69Å; S412-S414 PolarHBondContact O-N 2.9Å; S412-V480 WeakPolarHBondContact OG-CG1 3.48Å |
| 413 | P | 89.3 | Confident | 91.1 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 20% | 0.201 | 32% | 0.319 | C | S | . | . | trans | -64.2 | 128 | -173.5 | -23.6 | 34.8 | 0 | 0 | 0 | 112.4 | E409 S415 G416 P419 | E409-P413 VanDerWaalsContact O-CA 3.27Å; E409-P413 WeakPolarHBondContact O-CA 3.31Å; E409-P413 VanDerWaalsContact O-N 3.08Å; P413-S415 PolarHBondContact O-N 3.36Å; P413-S415 VanDerWaalsContact O-N 3.08Å; P413-G416 PolarHBondContact O-N 3.38Å; P413-P419 HydrophobicContact CG-CB 4.33Å | ||
| 414 | S | 85.5 | Confident | 91.1 | Very high | 77 Ų | 77 | 55.2 Ų | 55.2 | 54% | 0.538 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.5 | 176.8 | -61.6 | 0 | 0 | 0 | 0 | 112.9 | E409 S412 G416 H728 | E409-S414 WeakPolarHBondContact OE1-CB 3.39Å; E409-S414 PolarHBondContact OE1-N 3.18Å; E409-S414 PolarHBondContact OE1-OG 3.01Å; E409-S414 PolarHBondContact OE2-OG 2.96Å; S412-S414 PolarHBondContact O-N 2.9Å; S414-G416 PolarHBondContact O-N 3.34Å; S414-H728 WeakPolarHBondContact CB-NE2 3.15Å; S414-H728 PolarHBondContact OG-NE2 2.77Å |
| 415 | S | 81.2 | Confident | 90.9 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 57% | 0.573 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -9.1 | 172.5 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | P413 N417 | P413-S415 PolarHBondContact O-N 3.36Å; P413-S415 VanDerWaalsContact O-N 3.08Å; S415-N417 PolarHBondContact O-N 3.06Å; S415-N417 PolarHBondContact OG-ND2 3.4Å |
| 416 | G | 76.4 | Confident | 91 | Very high | 67 Ų | 67 | 56.3 Ų | 56.3 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | trans | 75.6 | -2.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | P413 S414 | P413-G416 PolarHBondContact O-N 3.38Å; S414-G416 PolarHBondContact O-N 3.34Å | ||
| 417 | N | 83.9 | Confident | 91.1 | Very high | 108 Ų | 108 | 53.9 Ų | 53.9 | 58% | 0.578 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 160.3 | 175 | -73.1 | -31.5 | 0 | 0 | 0 | 112 | S415 | S415-N417 PolarHBondContact O-N 3.06Å; S415-N417 PolarHBondContact OG-ND2 3.4Å |
| 418 | L | 87.4 | Confident | 91 | Very high | 112 Ų | 112 | 56.3 Ų | 56.3 | 59% | 0.586 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 138.1 | 168 | -67.3 | 171.8 | 0 | 0 | 0 | 109.8 | A484 P486 | L418-A484 HydrophobicContact CD2-CB 4.37Å; L418-A484 VanDerWaalsContact CD2-O 3.3Å; L418-A484 WeakPolarHBondContact CD2-O 3.4Å; L418-P486 HydrophobicContact CD2-CG 4.4Å |
| 419 | P | 90.4 | Very high | 91 | Very high | 18 Ų | 18 | 61.9 Ų | 61.9 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 133.4 | 179.8 | 26.3 | -33.1 | 0 | 0 | 0 | 111.4 | S410 P413 Q421 V481 A484 | S410-P419 WeakPolarHBondContact O-CB 3.4Å; P413-P419 HydrophobicContact CG-CB 4.33Å; P419-Q421 PolarHBondContact O-N 2.96Å; P419-V481 HydrophobicContact CB-CG1 4.46Å; P419-V481 HydrophobicContact CB-CG2 4.13Å; P419-V481 HydrophobicContact CG-CB 4.32Å; P419-V481 HydrophobicContact CG-CG1 4.14Å; P419-V481 HydrophobicContact CG-CG2 4.23Å; P419-A484 HydrophobicContact CG-CB 3.72Å |
| 420 | D | 91.1 | Very high | 91.1 | Very high | 87 Ų | 87 | 62.7 Ų | 62.7 | 47% | 0.465 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 118.9 | 172.1 | 180 | 11 | 0 | 0 | 0 | 110 | N422 D423 Y424 | D420-N422 PolarHBondContact O-N 2.96Å; D420-N422 WeakPolarHBondContact OD1-CB 3.47Å; D420-N422 PolarHBondContact OD1-N 3.09Å; D420-N422 PolarHBondContact OD1-ND2 2.82Å; D420-D423 HydrophobicContact CB-CB 4.2Å; D420-D423 PolarHBondContact O-N 3.22Å; D420-Y424 WeakPolarHBondContact O-CB 3.4Å; D420-Y424 PolarHBondContact O-N 3.21Å |
| 421 | Q | 91 | Very high | 91.2 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -23.3 | 178.8 | -163 | 168.9 | 55.5 | 0 | 0 | 112.4 | P419 N425 V481 | P419-Q421 PolarHBondContact O-N 2.96Å; Q421-N425 VanDerWaalsContact O-CB 3.29Å; Q421-N425 WeakPolarHBondContact O-CB 3.33Å; Q421-N425 PolarHBondContact O-N 3.48Å; Q421-N425 PolarHBondContact O-ND2 2.93Å; Q421-V481 HydrophobicContact CB-CG1 4.33Å; Q421-V481 HydrophobicContact CG-CG1 4.29Å |
| 422 | N | 92.7 | Very high | 91.3 | Very high | 116 Ų | 116 | 64.2 Ų | 64.2 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -73.9 | -49.6 | 174.8 | -66.7 | -55 | 0 | 0 | 0 | 112 | D420 Y424 N425 V426 | D420-N422 PolarHBondContact O-N 2.96Å; D420-N422 WeakPolarHBondContact OD1-CB 3.47Å; D420-N422 PolarHBondContact OD1-N 3.09Å; D420-N422 PolarHBondContact OD1-ND2 2.82Å; N422-Y424 VanDerWaalsContact C-N 3.34Å; N422-Y424 PolarHBondContact O-N 2.94Å; N422-N425 WeakPolarHBondContact O-CB 3.39Å; N422-N425 PolarHBondContact O-N 3.27Å; N422-N425 VanDerWaalsContact O-N 3.12Å; N422-V426 PolarHBondContact O-N 2.71Å |
| 423 | D | 93.8 | Very high | 91.5 | Very high | 67 Ų | 67 | 67.1 Ų | 67.1 | 36% | 0.358 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 173.2 | -177.8 | 52.9 | 0 | 0 | 0 | 111.1 | S410 D420 N425 V426 K427 | S410-D423 WeakPolarHBondContact CB-OD2 3.48Å; D420-D423 HydrophobicContact CB-CB 4.2Å; D420-D423 PolarHBondContact O-N 3.22Å; D423-N425 VanDerWaalsContact C-N 3.29Å; D423-N425 PolarHBondContact O-N 3.15Å; D423-V426 WeakPolarHBondContact O-CA 3.47Å; D423-V426 WeakPolarHBondContact O-CB 3.37Å; D423-V426 PolarHBondContact O-N 2.96Å; D423-K427 PolarHBondContact O-N 3.34Å |
| 424 | Y | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.4 | -41 | 173.6 | -174.5 | -98.5 | 0 | 0 | 0 | 112.8 | L407 A411 D420 N422 V426 K427 M428 V474 G477 R478 V481 | L407-Y424 HydrophobicContact CD1-CD2 3.88Å; L407-Y424 HydrophobicContact CD1-CE1 4.5Å; L407-Y424 HydrophobicContact CD1-CE2 3.29Å; L407-Y424 HydrophobicContact CG-CE2 3.88Å; A411-Y424 HydrophobicContact CB-CD2 3.85Å; A411-Y424 HydrophobicContact CB-CE2 3.73Å; D420-Y424 WeakPolarHBondContact O-CB 3.4Å; D420-Y424 PolarHBondContact O-N 3.21Å; N422-Y424 VanDerWaalsContact C-N 3.34Å; N422-Y424 PolarHBondContact O-N 2.94Å; Y424-V426 VanDerWaalsContact C-N 3.28Å; Y424-V426 PolarHBondContact O-N 3.44Å; Y424-K427 PolarHBondContact O-N 2.91Å; Y424-M428 WeakPolarHBondContact O-CB 3.45Å; Y424-M428 PolarHBondContact O-N 2.79Å; Y424-V474 PolarHBondContact OH-O 2.93Å; Y424-G477 VanDerWaalsContact OH-C 3.27Å; Y424-G477 VanDerWaalsContact OH-CA 3.31Å; Y424-G477 WeakPolarHBondContact OH-CA 3.18Å; Y424-R478 HydrophobicContact CE1-CB 4.04Å; Y424-R478 PolarHBondContact OH-N 3.16Å; Y424-R478 VanDerWaalsContact OH-N 3.16Å; Y424-V481 HydrophobicContact CD1-CG2 4.22Å; Y424-V481 HydrophobicContact CD2-CG2 4.01Å; Y424-V481 HydrophobicContact CE2-CG2 4.44Å; Y424-V481 HydrophobicContact CG-CG2 3.89Å |
| 425 | N | 94.2 | Very high | 92.2 | Very high | 51 Ų | 51 | 62.7 Ų | 62.7 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.3 | -22.6 | 175.3 | -74.5 | -29.4 | 0 | 0 | 0 | 113.5 | Q421 N422 D423 K429 R478 | Q421-N425 VanDerWaalsContact O-CB 3.29Å; Q421-N425 WeakPolarHBondContact O-CB 3.33Å; Q421-N425 PolarHBondContact O-N 3.48Å; Q421-N425 PolarHBondContact O-ND2 2.93Å; N422-N425 WeakPolarHBondContact O-CB 3.39Å; N422-N425 PolarHBondContact O-N 3.27Å; N422-N425 VanDerWaalsContact O-N 3.12Å; D423-N425 VanDerWaalsContact C-N 3.29Å; D423-N425 PolarHBondContact O-N 3.15Å; N425-K429 WeakPolarHBondContact O-CG 3.42Å; N425-R478 PolarHBondContact OD1-NH1 2.97Å; N425-R478 PolarHBondContact OD1-NH2 3.45Å |
| 426 | V | 96.3 | Very high | 92.7 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -78.8 | -51.3 | 171.4 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | N422 D423 Y424 M428 K429 E430 | N422-V426 PolarHBondContact O-N 2.71Å; D423-V426 WeakPolarHBondContact O-CA 3.47Å; D423-V426 WeakPolarHBondContact O-CB 3.37Å; D423-V426 PolarHBondContact O-N 2.96Å; Y424-V426 VanDerWaalsContact C-N 3.28Å; Y424-V426 PolarHBondContact O-N 3.44Å; V426-M428 VanDerWaalsContact C-N 3.26Å; V426-M428 PolarHBondContact O-N 3.28Å; V426-K429 WeakPolarHBondContact O-CB 3.46Å; V426-K429 PolarHBondContact O-N 3.39Å; V426-E430 WeakPolarHBondContact CG1-OE1 3.44Å; V426-E430 PolarHBondContact O-N 2.69Å; V426-E430 VanDerWaalsContact O-N 3.12Å |
| 427 | K | 97 | Very high | 93.5 | Very high | 36 Ų | 36 | 63.5 Ų | 63.5 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.2 | -30.7 | 179.3 | -58.6 | -47.3 | 179.2 | -179.1 | 0 | 113.3 | Q406 L407 D423 Y424 K429 E430 F431 | Q406-K427 HydrophobicContact CB-CD 4Å; Q406-K427 HydrophobicContact CB-CG 4.24Å; Q406-K427 VanDerWaalsContact OE1-CE 3.3Å; L407-K427 HydrophobicContact CB-CB 4.49Å; L407-K427 HydrophobicContact CD1-CB 4.28Å; D423-K427 PolarHBondContact O-N 3.34Å; Y424-K427 PolarHBondContact O-N 2.91Å; K427-K429 VanDerWaalsContact C-N 3.34Å; K427-K429 PolarHBondContact O-N 2.9Å; K427-E430 WeakPolarHBondContact CD-OE2 3.32Å; K427-E430 IonicContact NZ-OE1 2.66Å; K427-E430 PolarHBondContact NZ-OE1 2.87Å; K427-E430 IonicContact NZ-OE2 3.14Å; K427-E430 PolarHBondContact NZ-OE2 2.98Å; K427-E430 PolarHBondContact O-N 3.39Å; K427-F431 WeakPolarHBondContact O-CB 3.46Å; K427-F431 PolarHBondContact O-N 3.09Å |
| 428 | M | 96.7 | Very high | 94 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 167 | 166.9 | 178.2 | 169.1 | 0 | 0 | 112.4 | L407 Y424 V426 L432 V474 R478 | L407-M428 HydrophobicContact CD1-CB 4.17Å; Y424-M428 WeakPolarHBondContact O-CB 3.45Å; Y424-M428 PolarHBondContact O-N 2.79Å; V426-M428 VanDerWaalsContact C-N 3.26Å; V426-M428 PolarHBondContact O-N 3.28Å; M428-L432 HydrophobicContact CE-CD1 3.9Å; M428-L432 HydrophobicContact CG-CD1 3.92Å; M428-L432 WeakPolarHBondContact O-CB 3.27Å; M428-L432 VanDerWaalsContact O-CG 3.26Å; M428-L432 WeakPolarHBondContact O-CG 3.44Å; M428-L432 PolarHBondContact O-N 3.35Å; M428-V474 HydrophobicContact CB-CG1 4.36Å; M428-V474 HydrophobicContact CE-CG1 3.84Å; M428-V474 HydrophobicContact CG-CG1 3.56Å; M428-V474 HydrophobicContact CG-CG2 4.11Å; M428-V474 HydrophobicContact SD-CG1 3.48Å; M428-V474 WeakPolarHBondContact SD-CG1 3.41Å; M428-R478 PolarHBondContact SD-NH2 3.46Å |
| 429 | K | 95.1 | Very high | 94.3 | Very high | 149 Ų | 149 | 53.7 Ų | 53.7 | 65% | 0.648 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -72.3 | -41.1 | -177.8 | -67.3 | 170.7 | -175.6 | 177.3 | 0 | 111.5 | N425 V426 K427 L432 N433 | N425-K429 WeakPolarHBondContact O-CG 3.42Å; V426-K429 WeakPolarHBondContact O-CB 3.46Å; V426-K429 PolarHBondContact O-N 3.39Å; K427-K429 VanDerWaalsContact C-N 3.34Å; K427-K429 PolarHBondContact O-N 2.9Å; K429-L432 PolarHBondContact O-N 3Å; K429-N433 VanDerWaalsContact O-CB 3.32Å; K429-N433 WeakPolarHBondContact O-CB 3.39Å; K429-N433 PolarHBondContact O-N 3.04Å |
| 430 | E | 95.2 | Very high | 94.3 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 175.1 | -67.1 | 174 | -163.1 | 0 | 0 | 111.3 | Q406 V426 K427 N433 Q434 | Q406-E430 PolarHBondContact OE1-OE2 3.05Å; V426-E430 WeakPolarHBondContact CG1-OE1 3.44Å; V426-E430 PolarHBondContact O-N 2.69Å; V426-E430 VanDerWaalsContact O-N 3.12Å; K427-E430 WeakPolarHBondContact CD-OE2 3.32Å; K427-E430 IonicContact NZ-OE1 2.66Å; K427-E430 PolarHBondContact NZ-OE1 2.87Å; K427-E430 IonicContact NZ-OE2 3.14Å; K427-E430 PolarHBondContact NZ-OE2 2.98Å; K427-E430 PolarHBondContact O-N 3.39Å; E430-N433 PolarHBondContact O-N 3.03Å; E430-Q434 PolarHBondContact O-N 3Å |
| 431 | F | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 178.4 | 172.7 | -114.1 | 0 | 0 | 0 | 113.3 | P403 L404 L407 K427 N433 Q434 C435 V473 V474 W512 | P403-F431 HydrophobicContact CB-CB 4.26Å; L404-F431 HydrophobicContact CB-CD2 3.83Å; L404-F431 HydrophobicContact CB-CE2 3.72Å; L404-F431 HydrophobicContact CD1-CD2 4.35Å; L404-F431 HydrophobicContact CD1-CE1 4.39Å; L404-F431 HydrophobicContact CD1-CE2 3.94Å; L404-F431 HydrophobicContact CD1-CZ 3.95Å; L404-F431 HydrophobicContact CD2-CE2 4.12Å; L404-F431 HydrophobicContact CD2-CZ 4.39Å; L404-F431 HydrophobicContact CG-CE2 4.13Å; L407-F431 HydrophobicContact CD2-CB 4.27Å; L407-F431 HydrophobicContact CD2-CD1 3.57Å; L407-F431 HydrophobicContact CD2-CE1 4.1Å; L407-F431 HydrophobicContact CD2-CG 4.01Å; K427-F431 WeakPolarHBondContact O-CB 3.46Å; K427-F431 PolarHBondContact O-N 3.09Å; F431-N433 VanDerWaalsContact C-N 3.33Å; F431-N433 PolarHBondContact O-N 3.36Å; F431-Q434 WeakPolarHBondContact O-CB 3.28Å; F431-Q434 PolarHBondContact O-N 2.98Å; F431-C435 PolarHBondContact O-N 2.72Å; F431-C435 PolarHBondContact O-SG 3.06Å; F431-V473 HydrophobicContact CE1-CB 4.22Å; F431-V473 HydrophobicContact CE1-CG1 4.04Å; F431-V473 HydrophobicContact CZ-CG1 4.26Å; F431-V474 HydrophobicContact CD1-CG2 3.82Å; F431-V474 HydrophobicContact CE1-CG2 4.17Å; F431-W512 HydrophobicContact CE2-CD2 4.05Å; F431-W512 AromaticContact CE2-CE2 3.63Å; F431-W512 HydrophobicContact CE2-CE3 4.3Å; F431-W512 AromaticContact CE2-CH2 3.85Å; F431-W512 HydrophobicContact CE2-CH2 3.85Å; F431-W512 AromaticContact CE2-CZ2 3.54Å; F431-W512 HydrophobicContact CE2-CZ2 3.54Å; F431-W512 HydrophobicContact CE2-CZ3 4.21Å; F431-W512 AromaticContact CZ-CD2 3.94Å; F431-W512 HydrophobicContact CZ-CD2 3.94Å; F431-W512 AromaticContact CZ-CE2 3.61Å; F431-W512 HydrophobicContact CZ-CG 4.21Å; F431-W512 HydrophobicContact CZ-CZ2 4Å; F431-W512 AromaticContact CZ-NE1 3.65Å |
| 432 | L | 95.7 | Very high | 94.1 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.2 | -32.1 | 177.6 | -69.2 | 173 | 0 | 0 | 0 | 112.3 | M428 K429 C435 N436 V474 | M428-L432 HydrophobicContact CE-CD1 3.9Å; M428-L432 HydrophobicContact CG-CD1 3.92Å; M428-L432 WeakPolarHBondContact O-CB 3.27Å; M428-L432 VanDerWaalsContact O-CG 3.26Å; M428-L432 WeakPolarHBondContact O-CG 3.44Å; M428-L432 PolarHBondContact O-N 3.35Å; K429-L432 PolarHBondContact O-N 3Å; L432-C435 PolarHBondContact O-N 3.47Å; L432-N436 PolarHBondContact O-N 3.38Å; L432-N436 PolarHBondContact O-ND2 3.09Å; L432-V474 HydrophobicContact CD1-CG2 4.29Å; L432-V474 HydrophobicContact CD2-CG2 4.17Å; L432-V474 HydrophobicContact CG-CG2 4.12Å |
| 433 | N | 94.5 | Very high | 93.8 | Very high | 90 Ų | 90 | 47.5 Ų | 47.5 | 48% | 0.481 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 171.3 | -174.3 | 73 | 0 | 0 | 0 | 111.5 | K429 E430 F431 C435 N436 Q437 | K429-N433 VanDerWaalsContact O-CB 3.32Å; K429-N433 WeakPolarHBondContact O-CB 3.39Å; K429-N433 PolarHBondContact O-N 3.04Å; E430-N433 PolarHBondContact O-N 3.03Å; F431-N433 VanDerWaalsContact C-N 3.33Å; F431-N433 PolarHBondContact O-N 3.36Å; N433-C435 VanDerWaalsContact C-N 3.35Å; N433-C435 PolarHBondContact O-N 3.29Å; N433-N436 PolarHBondContact O-N 2.87Å; N433-Q437 PolarHBondContact ND2-NE2 3.22Å; N433-Q437 WeakPolarHBondContact O-CG 3.42Å; N433-Q437 PolarHBondContact O-N 2.73Å; N433-Q437 VanDerWaalsContact O-N 3.08Å |
| 434 | Q | 94.5 | Very high | 93.3 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.2 | -170.8 | -166.2 | 23.4 | 0 | 0 | 112.1 | D399 L400 P403 E430 F431 N436 Q437 L438 | D399-Q434 PolarHBondContact O-NE2 2.92Å; L400-Q434 PolarHBondContact O-NE2 3.03Å; L400-Q434 VanDerWaalsContact O-NE2 3.1Å; P403-Q434 HydrophobicContact CG-CB 4.41Å; P403-Q434 HydrophobicContact CG-CG 4.42Å; P403-Q434 VanDerWaalsContact CG-OE1 3.27Å; E430-Q434 PolarHBondContact O-N 3Å; F431-Q434 WeakPolarHBondContact O-CB 3.28Å; F431-Q434 PolarHBondContact O-N 2.98Å; Q434-N436 VanDerWaalsContact C-N 3.31Å; Q434-N436 PolarHBondContact O-N 3.37Å; Q434-Q437 PolarHBondContact O-N 2.63Å; Q434-Q437 VanDerWaalsContact O-N 3.15Å; Q434-L438 HydrophobicContact CG-CD1 4.07Å; Q434-L438 HydrophobicContact CG-CG 4.44Å; Q434-L438 WeakPolarHBondContact O-CG 3.49Å; Q434-L438 PolarHBondContact O-N 2.91Å |
| 435 | C | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.3 | -47.1 | 175.7 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | F431 L432 N433 Q437 L438 V439 N467 | F431-C435 PolarHBondContact O-N 2.72Å; F431-C435 PolarHBondContact O-SG 3.06Å; L432-C435 PolarHBondContact O-N 3.47Å; N433-C435 VanDerWaalsContact C-N 3.35Å; N433-C435 PolarHBondContact O-N 3.29Å; C435-Q437 PolarHBondContact O-N 3Å; C435-L438 PolarHBondContact O-N 3.27Å; C435-V439 WeakPolarHBondContact O-CB 3.42Å; C435-V439 VanDerWaalsContact O-CG2 3.28Å; C435-V439 WeakPolarHBondContact O-CG2 3.47Å; C435-V439 PolarHBondContact O-N 2.85Å; C435-N467 VanDerWaalsContact CB-OD1 3.27Å; C435-N467 WeakPolarHBondContact CB-OD1 3.48Å |
| 436 | N | 93 | Very high | 92.3 | Very high | 71 Ų | 71 | 42.7 Ų | 42.7 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.7 | -73.3 | -71.5 | 0 | 0 | 0 | 112.9 | L432 N433 Q434 V439 N440 N467 | L432-N436 PolarHBondContact O-N 3.38Å; L432-N436 PolarHBondContact O-ND2 3.09Å; N433-N436 PolarHBondContact O-N 2.87Å; Q434-N436 VanDerWaalsContact C-N 3.31Å; Q434-N436 PolarHBondContact O-N 3.37Å; N436-V439 PolarHBondContact O-N 3.32Å; N436-N440 WeakPolarHBondContact O-CB 3.15Å; N436-N440 PolarHBondContact O-N 3.21Å; N436-N440 PolarHBondContact O-ND2 3.23Å; N436-N440 PolarHBondContact O-OD1 3.03Å; N436-N467 PolarHBondContact N-OD1 2.66Å; N436-N467 PolarHBondContact OD1-ND2 3.41Å |
| 437 | Q | 92.4 | Very high | 91.4 | Very high | 94 Ų | 94 | 40.9 Ų | 40.9 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 176.4 | -70.6 | 175.9 | -20.7 | 0 | 0 | 112.3 | V396 N433 Q434 C435 T441 | V396-Q437 HydrophobicContact CG1-CB 4.15Å; N433-Q437 PolarHBondContact ND2-NE2 3.22Å; N433-Q437 WeakPolarHBondContact O-CG 3.42Å; N433-Q437 PolarHBondContact O-N 2.73Å; N433-Q437 VanDerWaalsContact O-N 3.08Å; Q434-Q437 PolarHBondContact O-N 2.63Å; Q434-Q437 VanDerWaalsContact O-N 3.15Å; C435-Q437 PolarHBondContact O-N 3Å; Q437-T441 WeakPolarHBondContact O-CB 3.41Å; Q437-T441 PolarHBondContact O-N 3.24Å; Q437-T441 VanDerWaalsContact O-N 3.13Å; Q437-T441 PolarHBondContact O-OG1 2.94Å |
| 438 | L | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -47.1 | 174.6 | -69.3 | 163.3 | 0 | 0 | 0 | 111.1 | V396 Y397 L400 Q434 C435 T441 G442 L466 W512 M519 | V396-L438 HydrophobicContact CG1-CD2 3.98Å; V396-L438 HydrophobicContact CG1-CG 4.33Å; Y397-L438 HydrophobicContact CD1-CD2 3.75Å; Y397-L438 HydrophobicContact CD2-CD2 4.29Å; Y397-L438 HydrophobicContact CE1-CD2 3.45Å; Y397-L438 VanDerWaalsContact CE1-CD2 3.45Å; Y397-L438 HydrophobicContact CE2-CD2 4.01Å; Y397-L438 HydrophobicContact CG-CD2 4.16Å; Y397-L438 PolarHBondContact OH-O 2.96Å; L400-L438 HydrophobicContact CD1-CD1 4.21Å; L400-L438 HydrophobicContact CD1-CD2 3.85Å; Q434-L438 HydrophobicContact CG-CD1 4.07Å; Q434-L438 HydrophobicContact CG-CG 4.44Å; Q434-L438 WeakPolarHBondContact O-CG 3.49Å; Q434-L438 PolarHBondContact O-N 2.91Å; C435-L438 PolarHBondContact O-N 3.27Å; L438-T441 PolarHBondContact O-N 3Å; L438-G442 PolarHBondContact O-N 3.46Å; L438-L466 HydrophobicContact CB-CD2 3.96Å; L438-L466 HydrophobicContact CD1-CD2 4.2Å; L438-W512 HydrophobicContact CD1-CH2 3.9Å; L438-W512 HydrophobicContact CD1-CZ2 3.94Å; L438-M519 VanDerWaalsContact O-CE 3.29Å; L438-M519 WeakPolarHBondContact O-CE 3.35Å |
| 439 | V | 92.9 | Very high | 89 | Confident | 14 Ų | 14 | 39.3 Ų | 39.3 | 9% | 0.085 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.3 | -53.6 | 177 | 167.4 | 0 | 0 | 0 | 0 | 111.9 | C435 N436 T441 G442 E443 T463 L466 N467 | C435-V439 WeakPolarHBondContact O-CB 3.42Å; C435-V439 VanDerWaalsContact O-CG2 3.28Å; C435-V439 WeakPolarHBondContact O-CG2 3.47Å; C435-V439 PolarHBondContact O-N 2.85Å; N436-V439 PolarHBondContact O-N 3.32Å; V439-T441 VanDerWaalsContact C-N 3.29Å; V439-T441 PolarHBondContact O-N 2.97Å; V439-G442 PolarHBondContact O-N 3.14Å; V439-G442 VanDerWaalsContact O-N 3.09Å; V439-E443 PolarHBondContact O-N 2.91Å; V439-T463 WeakPolarHBondContact CG2-O 3.49Å; V439-L466 HydrophobicContact CG2-CB 4.07Å; V439-L466 HydrophobicContact CG2-CD2 4.31Å; V439-N467 HydrophobicContact CG2-CB 4.4Å |
| 440 | N | 89.4 | Confident | 87.1 | Confident | 104 Ų | 104 | 32.5 Ų | 32.5 | 56% | 0.556 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -60.7 | -39.5 | -179.1 | -67.3 | -8.3 | 0 | 0 | 0 | 112 | N436 L444 | N436-N440 WeakPolarHBondContact O-CB 3.15Å; N436-N440 PolarHBondContact O-N 3.21Å; N436-N440 PolarHBondContact O-ND2 3.23Å; N436-N440 PolarHBondContact O-OD1 3.03Å; N440-L444 WeakPolarHBondContact O-CB 3.49Å; N440-L444 PolarHBondContact O-N 3.18Å; N440-L444 VanDerWaalsContact O-N 3.09Å |
| 441 | T | 89.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.4 | -30.8 | 177.6 | -49.8 | 0 | 0 | 0 | 0 | 112 | Q392 I393 Y397 Q437 L438 V439 A445 | Q392-T441 HydrophobicContact CG-CG2 3.98Å; I393-T441 HydrophobicContact CG1-CG2 3.82Å; Y397-T441 HydrophobicContact CD2-CG2 4.31Å; Y397-T441 HydrophobicContact CE2-CG2 3.9Å; Q437-T441 WeakPolarHBondContact O-CB 3.41Å; Q437-T441 PolarHBondContact O-N 3.24Å; Q437-T441 VanDerWaalsContact O-N 3.13Å; Q437-T441 PolarHBondContact O-OG1 2.94Å; L438-T441 PolarHBondContact O-N 3Å; V439-T441 VanDerWaalsContact C-N 3.29Å; V439-T441 PolarHBondContact O-N 2.97Å; T441-A445 PolarHBondContact O-N 3.04Å; T441-A445 VanDerWaalsContact O-N 3.08Å |
| 442 | G | 90.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.1 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L438 V439 L444 A445 A446 L459 | L438-G442 PolarHBondContact O-N 3.46Å; V439-G442 PolarHBondContact O-N 3.14Å; V439-G442 VanDerWaalsContact O-N 3.09Å; G442-L444 PolarHBondContact O-N 3.13Å; G442-A445 PolarHBondContact O-N 2.77Å; G442-A446 PolarHBondContact O-N 2.96Å; G442-L459 VanDerWaalsContact O-CD2 3.25Å; G442-L459 WeakPolarHBondContact O-CD2 3.43Å |
| 443 | E | 85.6 | Confident | 81.1 | Confident | 71 Ų | 71 | 34.5 Ų | 34.5 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 172.4 | -77.6 | -60 | 152.7 | 0 | 0 | 111.3 | V439 A446 A447 R460 T463 | V439-E443 PolarHBondContact O-N 2.91Å; E443-A446 PolarHBondContact O-N 3.38Å; E443-A447 WeakPolarHBondContact O-CB 3.49Å; E443-A447 PolarHBondContact O-N 3.12Å; E443-R460 IonicContact OE2-NE 2.69Å; E443-T463 HydrophobicContact CG-CG2 3.92Å; E443-T463 VanDerWaalsContact OE1-CB 3.27Å; E443-T463 WeakPolarHBondContact OE1-CB 3.41Å; E443-T463 PolarHBondContact OE1-OG1 3.1Å |
| 444 | L | 84.2 | Confident | 79.4 | Confident | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 174.9 | 177.9 | 63 | 0 | 0 | 0 | 112.3 | I309 L389 N440 G442 A446 A447 T448 | I309-L444 HydrophobicContact CB-CD1 4.09Å; I309-L444 HydrophobicContact CD1-CD1 3.53Å; I309-L444 HydrophobicContact CG1-CD1 3.38Å; I309-L444 HydrophobicContact CG2-CD1 3.67Å; I309-L444 HydrophobicContact CG2-CD2 4.06Å; L389-L444 HydrophobicContact CD1-CD2 3.95Å; L389-L444 HydrophobicContact CD1-CG 3.78Å; N440-L444 WeakPolarHBondContact O-CB 3.49Å; N440-L444 PolarHBondContact O-N 3.18Å; N440-L444 VanDerWaalsContact O-N 3.09Å; G442-L444 PolarHBondContact O-N 3.13Å; L444-A446 VanDerWaalsContact C-N 3.34Å; L444-A446 PolarHBondContact O-N 3.44Å; L444-A447 PolarHBondContact O-N 2.71Å; L444-T448 HydrophobicContact CD1-CG2 3.94Å; L444-T448 HydrophobicContact CG-CG2 4.47Å; L444-T448 WeakPolarHBondContact O-CB 3.36Å; L444-T448 WeakPolarHBondContact O-CG2 3.46Å; L444-T448 PolarHBondContact O-N 3.06Å; L444-T448 PolarHBondContact O-OG1 2.98Å |
| 445 | A | 87.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L389 I393 T441 G442 A447 T448 K449 L459 V523 | L389-A445 HydrophobicContact CD1-CB 4.28Å; I393-A445 HydrophobicContact CD1-CB 4.41Å; T441-A445 PolarHBondContact O-N 3.04Å; T441-A445 VanDerWaalsContact O-N 3.08Å; G442-A445 PolarHBondContact O-N 2.77Å; A445-A447 VanDerWaalsContact C-N 3.34Å; A445-A447 PolarHBondContact O-N 2.88Å; A445-T448 WeakPolarHBondContact CA-OG1 3.17Å; A445-T448 PolarHBondContact O-N 3.22Å; A445-T448 PolarHBondContact O-OG1 3.4Å; A445-K449 PolarHBondContact O-N 2.67Å; A445-L459 HydrophobicContact CB-CD2 3.84Å; A445-V523 HydrophobicContact CB-CG1 4.43Å; A445-V523 HydrophobicContact CB-CG2 4.13Å |
| 446 | A | 81.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.8 | -32.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G442 E443 L444 S456 L459 R460 | G442-A446 PolarHBondContact O-N 2.96Å; E443-A446 PolarHBondContact O-N 3.38Å; L444-A446 VanDerWaalsContact C-N 3.34Å; L444-A446 PolarHBondContact O-N 3.44Å; A446-S456 PolarHBondContact O-OG 2.93Å; A446-L459 HydrophobicContact CB-CB 4.27Å; A446-L459 HydrophobicContact CB-CD2 4.08Å; A446-L459 HydrophobicContact CB-CG 4.2Å; A446-R460 HydrophobicContact CB-CG 3.93Å; A446-R460 PolarHBondContact O-NH2 3.36Å |
| 447 | A | 77.1 | Confident | 75.9 | Confident | 33 Ų | 33 | 37.2 Ų | 37.2 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -81.5 | -22.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | T272 L273 E443 L444 A445 | T272-A447 WeakPolarHBondContact CA-O 3.4Å; L273-A447 WeakPolarHBondContact CG-O 3.32Å; L273-A447 PolarHBondContact N-O 3.47Å; E443-A447 WeakPolarHBondContact O-CB 3.49Å; E443-A447 PolarHBondContact O-N 3.12Å; L444-A447 PolarHBondContact O-N 2.71Å; A445-A447 VanDerWaalsContact C-N 3.34Å; A445-A447 PolarHBondContact O-N 2.88Å |
| 448 | T | 74.7 | Confident | 75 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -92.3 | -74.3 | -174 | 43.7 | 0 | 0 | 0 | 0 | 113.1 | L273 E274 I309 L389 L444 A445 | L273-T448 HydrophobicContact CD1-CG2 3.9Å; E274-T448 WeakPolarHBondContact CB-O 3.49Å; E274-T448 PolarHBondContact N-O 3Å; E274-T448 VanDerWaalsContact N-O 3.13Å; I309-T448 HydrophobicContact CD1-CG2 3.77Å; L389-T448 HydrophobicContact CD2-CG2 4.5Å; L389-T448 VanDerWaalsContact CD2-OG1 3.31Å; L389-T448 WeakPolarHBondContact CD2-OG1 3.43Å; L444-T448 HydrophobicContact CD1-CG2 3.94Å; L444-T448 HydrophobicContact CG-CG2 4.47Å; L444-T448 WeakPolarHBondContact O-CB 3.36Å; L444-T448 WeakPolarHBondContact O-CG2 3.46Å; L444-T448 PolarHBondContact O-N 3.06Å; L444-T448 PolarHBondContact O-OG1 2.98Å; A445-T448 WeakPolarHBondContact CA-OG1 3.17Å; A445-T448 PolarHBondContact O-N 3.22Å; A445-T448 PolarHBondContact O-OG1 3.4Å |
| 449 | K | 67.4 | Low | 74.5 | Confident | 50 Ų | 50 | 34.4 Ų | 34.4 | 22% | 0.217 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | 9.5 | -155 | -175.5 | 162.1 | 173.3 | 164.4 | 0 | 114.9 | W382 E386 L389 A445 S451 A526 | W382-K449 HydrophobicContact CH2-CB 4.26Å; W382-K449 HydrophobicContact CZ2-CB 4.46Å; W382-K449 HydrophobicContact CZ2-CD 4.27Å; W382-K449 HydrophobicContact CZ2-CG 4.4Å; E386-K449 HydrophobicContact CG-CD 4.39Å; E386-K449 IonicContact OE1-NZ 2.74Å; E386-K449 PolarHBondContact OE1-NZ 3.17Å; L389-K449 HydrophobicContact CD2-CB 4.22Å; A445-K449 PolarHBondContact O-N 2.67Å; K449-S451 PolarHBondContact O-N 3.49Å; K449-S451 VanDerWaalsContact O-N 3.15Å; K449-A526 VanDerWaalsContact CD-O 3.32Å; K449-A526 WeakPolarHBondContact CD-O 3.4Å; K449-A526 WeakPolarHBondContact CG-O 3.37Å |
| 450 | L | 56.6 | Low | 74 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | trans | -83.5 | 84.5 | 167.3 | -74 | -179.6 | 0 | 0 | 0 | 109.9 | D452 R455 L459 A526 | L450-D452 PolarHBondContact O-N 3.21Å; L450-R455 HydrophobicContact CB-CB 4.41Å; L450-R455 HydrophobicContact CD1-CB 4.15Å; L450-R455 HydrophobicContact CD2-CB 3.97Å; L450-R455 HydrophobicContact CG-CB 4.42Å; L450-L459 HydrophobicContact CD1-CB 4.01Å; L450-L459 HydrophobicContact CD1-CD2 3.57Å; L450-L459 HydrophobicContact CD1-CG 4.45Å; L450-A526 HydrophobicContact CD2-CB 3.64Å; L450-A526 HydrophobicContact CG-CB 3.95Å | ||
| 451 | S | 54.2 | Low | 73.5 | Confident | 85 Ų | 85 | 33.5 Ų | 33.5 | 59% | 0.594 | 18% | 0.177 | S | C | * | . | trans | -55.4 | -34.2 | 177.2 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | K449 V453 | K449-S451 PolarHBondContact O-N 3.49Å; K449-S451 VanDerWaalsContact O-N 3.15Å; S451-V453 PolarHBondContact O-N 2.95Å | ||
| 452 | D | 54.4 | Low | 73.3 | Confident | 45 Ų | 45 | 34 Ų | 34 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -71.7 | 115.8 | 168.3 | -72.1 | -93.7 | 0 | 0 | 0 | 112 | L450 W454 R455 S456 | L450-D452 PolarHBondContact O-N 3.21Å; D452-W454 HydrophobicContact CB-CG 4.44Å; D452-W454 PolarHBondContact O-N 3.01Å; D452-W454 PolarHBondContact OD1-NE1 3.37Å; D452-R455 HydrophobicContact CB-CB 3.81Å; D452-R455 HydrophobicContact CB-CG 3.68Å; D452-R455 VanDerWaalsContact CG-NH1 3.25Å; D452-R455 PolarHBondContact O-N 3.44Å; D452-R455 IonicContact OD1-NH1 3.93Å; D452-R455 PolarHBondContact OD1-NH1 2.89Å; D452-R455 WeakPolarHBondContact OD2-CD 3.47Å; D452-R455 IonicContact OD2-CZ 3.62Å; D452-R455 IonicContact OD2-NE 2.92Å; D452-R455 IonicContact OD2-NH1 3.56Å; D452-R455 PolarHBondContact OD2-NH1 3.41Å; D452-S456 PolarHBondContact O-N 3.48Å |
| 453 | V | 53.2 | Low | 73.2 | Confident | 27 Ų | 27 | 34.1 Ų | 34.1 | 16% | 0.164 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -50.5 | -43.5 | 173.5 | -162.2 | 0 | 0 | 0 | 0 | 111.6 | D134 S451 S456 D457 | D134-V453 WeakPolarHBondContact OD1-CG2 3.32Å; S451-V453 PolarHBondContact O-N 2.95Å; V453-S456 PolarHBondContact O-N 2.81Å; V453-D457 PolarHBondContact O-N 3.16Å |
| 454 | W | 59.6 | Low | 73.1 | Confident | 141 Ų | 141 | 34.8 Ų | 34.8 | 53% | 0.534 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.7 | -31.7 | -178.7 | 73.3 | -91.3 | 0 | 0 | 0 | 113.1 | D452 A458 | D452-W454 HydrophobicContact CB-CG 4.44Å; D452-W454 PolarHBondContact O-N 3.01Å; D452-W454 PolarHBondContact OD1-NE1 3.37Å; W454-A458 WeakPolarHBondContact O-CB 3.45Å; W454-A458 PolarHBondContact O-N 3.15Å |
| 455 | R | 70.1 | Confident | 73.2 | Confident | 48 Ų | 48 | 35.8 Ų | 35.8 | 18% | 0.181 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.6 | -43.7 | 172 | -69.3 | -178 | 159.1 | 93 | -4.4 | 110.3 | L450 D452 A458 L459 E525 | L450-R455 HydrophobicContact CB-CB 4.41Å; L450-R455 HydrophobicContact CD1-CB 4.15Å; L450-R455 HydrophobicContact CD2-CB 3.97Å; L450-R455 HydrophobicContact CG-CB 4.42Å; D452-R455 HydrophobicContact CB-CB 3.81Å; D452-R455 HydrophobicContact CB-CG 3.68Å; D452-R455 VanDerWaalsContact CG-NH1 3.25Å; D452-R455 PolarHBondContact O-N 3.44Å; D452-R455 IonicContact OD1-NH1 3.93Å; D452-R455 PolarHBondContact OD1-NH1 2.89Å; D452-R455 WeakPolarHBondContact OD2-CD 3.47Å; D452-R455 IonicContact OD2-CZ 3.62Å; D452-R455 IonicContact OD2-NE 2.92Å; D452-R455 IonicContact OD2-NH1 3.56Å; D452-R455 PolarHBondContact OD2-NH1 3.41Å; R455-A458 PolarHBondContact O-N 3.24Å; R455-L459 WeakPolarHBondContact O-CB 3.39Å; R455-L459 PolarHBondContact O-N 2.84Å; R455-E525 IonicContact CZ-OE1 3.71Å; R455-E525 IonicContact CZ-OE2 3.65Å; R455-E525 IonicContact NE-OE1 2.7Å; R455-E525 IonicContact NE-OE2 3.51Å; R455-E525 PolarHBondContact NE-OE2 3.34Å; R455-E525 VanDerWaalsContact NH2-CD 3.3Å; R455-E525 IonicContact NH2-OE1 2.74Å; R455-E525 PolarHBondContact NH2-OE1 3.08Å; R455-E525 IonicContact NH2-OE2 2.91Å; R455-E525 PolarHBondContact NH2-OE2 3.24Å |
| 456 | S | 70.5 | Confident | 73.4 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.7 | -49.4 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | A446 D452 V453 L459 R460 | A446-S456 PolarHBondContact O-OG 2.93Å; D452-S456 PolarHBondContact O-N 3.48Å; V453-S456 PolarHBondContact O-N 2.81Å; S456-L459 PolarHBondContact O-N 3.42Å; S456-R460 WeakPolarHBondContact O-CG 3.35Å; S456-R460 PolarHBondContact O-N 3.23Å; S456-R460 PolarHBondContact OG-NH1 3.12Å |
| 457 | D | 67.1 | Low | 73.9 | Confident | 41 Ų | 41 | 38 Ų | 38 | 22% | 0.219 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -77.3 | -27.3 | -179.9 | -75.1 | -17 | 0 | 0 | 0 | 113.8 | R271 V453 R460 C461 | R271-D457 IonicContact CZ-OD1 2.84Å; R271-D457 IonicContact CZ-OD2 3.62Å; R271-D457 IonicContact NH1-OD1 3.86Å; R271-D457 IonicContact NH1-OD2 2.79Å; R271-D457 PolarHBondContact NH1-OD2 3.26Å; R271-D457 VanDerWaalsContact NH2-CG 3.34Å; R271-D457 IonicContact NH2-OD1 3.92Å; R271-D457 PolarHBondContact NH2-OD1 2.99Å; R271-D457 IonicContact NH2-OD2 2.69Å; R271-D457 PolarHBondContact NH2-OD2 2.94Å; R271-D457 VanDerWaalsContact NH2-OD2 3.13Å; V453-D457 PolarHBondContact O-N 3.16Å; D457-R460 PolarHBondContact O-N 3.4Å; D457-R460 WeakPolarHBondContact OD1-CD 3.25Å; D457-R460 IonicContact OD1-CZ 2.79Å; D457-R460 IonicContact OD1-NH1 3.23Å; D457-R460 PolarHBondContact OD1-NH1 2.97Å; D457-C461 WeakPolarHBondContact O-CB 3.48Å; D457-C461 PolarHBondContact O-N 3.49Å |
| 458 | A | 75 | Confident | 74.5 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.1 | -39 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W454 R455 C461 L462 L522 | W454-A458 WeakPolarHBondContact O-CB 3.45Å; W454-A458 PolarHBondContact O-N 3.15Å; R455-A458 PolarHBondContact O-N 3.24Å; A458-C461 WeakPolarHBondContact O-CB 3.37Å; A458-C461 PolarHBondContact O-N 3.39Å; A458-L462 WeakPolarHBondContact O-CG 3.43Å; A458-L462 PolarHBondContact O-N 3.11Å; A458-L462 VanDerWaalsContact O-N 3.13Å; A458-L522 HydrophobicContact CB-CD1 4.28Å |
| 459 | L | 84.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | 174 | -177.5 | 53.1 | 0 | 0 | 0 | 111.1 | G442 A445 A446 L450 R455 S456 C461 L462 T463 M519 L522 V523 | G442-L459 VanDerWaalsContact O-CD2 3.25Å; G442-L459 WeakPolarHBondContact O-CD2 3.43Å; A445-L459 HydrophobicContact CB-CD2 3.84Å; A446-L459 HydrophobicContact CB-CB 4.27Å; A446-L459 HydrophobicContact CB-CD2 4.08Å; A446-L459 HydrophobicContact CB-CG 4.2Å; L450-L459 HydrophobicContact CD1-CB 4.01Å; L450-L459 HydrophobicContact CD1-CD2 3.57Å; L450-L459 HydrophobicContact CD1-CG 4.45Å; R455-L459 WeakPolarHBondContact O-CB 3.39Å; R455-L459 PolarHBondContact O-N 2.84Å; S456-L459 PolarHBondContact O-N 3.42Å; L459-C461 PolarHBondContact O-N 3.06Å; L459-L462 PolarHBondContact O-N 3.46Å; L459-T463 HydrophobicContact CD1-CG2 4.48Å; L459-T463 WeakPolarHBondContact O-CG2 3.07Å; L459-T463 PolarHBondContact O-N 3.08Å; L459-T463 PolarHBondContact O-OG1 3.34Å; L459-M519 HydrophobicContact CD1-CB 4.5Å; L459-M519 HydrophobicContact CD1-CE 4.4Å; L459-M519 HydrophobicContact CD1-CG 3.61Å; L459-L522 HydrophobicContact CB-CD1 4.09Å; L459-V523 HydrophobicContact CD1-CG2 3.83Å; L459-V523 HydrophobicContact CD2-CG2 3.68Å; L459-V523 HydrophobicContact CG-CG2 4.44Å |
| 460 | R | 82.1 | Confident | 76.8 | Confident | 51 Ų | 51 | 38 Ų | 38 | 19% | 0.192 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.2 | -29.6 | 171.7 | -72.3 | 176.6 | -179.7 | 125.7 | 7 | 114.1 | E443 A446 S456 D457 T463 S464 | E443-R460 IonicContact OE2-NE 2.69Å; A446-R460 HydrophobicContact CB-CG 3.93Å; A446-R460 PolarHBondContact O-NH2 3.36Å; S456-R460 WeakPolarHBondContact O-CG 3.35Å; S456-R460 PolarHBondContact O-N 3.23Å; S456-R460 PolarHBondContact OG-NH1 3.12Å; D457-R460 PolarHBondContact O-N 3.4Å; D457-R460 WeakPolarHBondContact OD1-CD 3.25Å; D457-R460 IonicContact OD1-CZ 2.79Å; D457-R460 IonicContact OD1-NH1 3.23Å; D457-R460 PolarHBondContact OD1-NH1 2.97Å; R460-T463 VanDerWaalsContact C-OG1 3.26Å; R460-T463 WeakPolarHBondContact CA-OG1 3.34Å; R460-T463 PolarHBondContact O-OG1 3.02Å; R460-S464 WeakPolarHBondContact O-CB 3.42Å; R460-S464 PolarHBondContact O-N 3.42Å; R460-S464 PolarHBondContact O-OG 3.27Å |
| 461 | C | 77.8 | Confident | 78.6 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 32% | 0.324 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.2 | -44 | 172 | -165.1 | 0 | 0 | 0 | 0 | 110.5 | D457 A458 L459 S464 Q465 | D457-C461 WeakPolarHBondContact O-CB 3.48Å; D457-C461 PolarHBondContact O-N 3.49Å; A458-C461 WeakPolarHBondContact O-CB 3.37Å; A458-C461 PolarHBondContact O-N 3.39Å; L459-C461 PolarHBondContact O-N 3.06Å; C461-S464 PolarHBondContact O-OG 2.9Å; C461-Q465 VanDerWaalsContact O-CG 3.27Å; C461-Q465 WeakPolarHBondContact O-CG 3.48Å; C461-Q465 PolarHBondContact O-N 2.98Å |
| 462 | L | 86.5 | Confident | 80.6 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.7 | -39.9 | 179.5 | -65.1 | 168.9 | 0 | 0 | 0 | 113.3 | A458 L459 Q465 L466 T515 R518 M519 L522 | A458-L462 WeakPolarHBondContact O-CG 3.43Å; A458-L462 PolarHBondContact O-N 3.11Å; A458-L462 VanDerWaalsContact O-N 3.13Å; L459-L462 PolarHBondContact O-N 3.46Å; L462-Q465 PolarHBondContact O-N 3.18Å; L462-L466 WeakPolarHBondContact O-CB 3.36Å; L462-L466 PolarHBondContact O-N 3.07Å; L462-T515 HydrophobicContact CD2-CG2 3.87Å; L462-R518 HydrophobicContact CD1-CB 4.13Å; L462-M519 HydrophobicContact CB-CB 4.25Å; L462-M519 HydrophobicContact CB-CG 4.39Å; L462-M519 HydrophobicContact CD1-CB 4.22Å; L462-L522 HydrophobicContact CD1-CD1 3.91Å |
| 463 | T | 88.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | 174.1 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | V439 E443 L459 R460 Q465 L466 M519 | V439-T463 WeakPolarHBondContact CG2-O 3.49Å; E443-T463 HydrophobicContact CG-CG2 3.92Å; E443-T463 VanDerWaalsContact OE1-CB 3.27Å; E443-T463 WeakPolarHBondContact OE1-CB 3.41Å; E443-T463 PolarHBondContact OE1-OG1 3.1Å; L459-T463 HydrophobicContact CD1-CG2 4.48Å; L459-T463 WeakPolarHBondContact O-CG2 3.07Å; L459-T463 PolarHBondContact O-N 3.08Å; L459-T463 PolarHBondContact O-OG1 3.34Å; R460-T463 VanDerWaalsContact C-OG1 3.26Å; R460-T463 WeakPolarHBondContact CA-OG1 3.34Å; R460-T463 PolarHBondContact O-OG1 3.02Å; T463-Q465 VanDerWaalsContact C-N 3.29Å; T463-Q465 PolarHBondContact O-N 2.97Å; T463-L466 PolarHBondContact O-N 3.25Å; T463-M519 HydrophobicContact CG2-CE 3.48Å; T463-M519 VanDerWaalsContact CG2-CE 3.48Å |
| 464 | S | 83 | Confident | 84.7 | Confident | 85 Ų | 85 | 33.2 Ų | 33.2 | 59% | 0.594 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -65.8 | -29.7 | -178.5 | 63.2 | 0 | 0 | 0 | 0 | 113.2 | R460 C461 | R460-S464 WeakPolarHBondContact O-CB 3.42Å; R460-S464 PolarHBondContact O-N 3.42Å; R460-S464 PolarHBondContact O-OG 3.27Å; C461-S464 PolarHBondContact O-OG 2.9Å |
| 465 | Q | 85.2 | Confident | 86.5 | Confident | 39 Ų | 39 | 28.8 Ų | 28.8 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -80.1 | -40 | 176.5 | -70.8 | 174.3 | 2.2 | 0 | 0 | 113.5 | C461 L462 T463 N467 E468 L469 | C461-Q465 VanDerWaalsContact O-CG 3.27Å; C461-Q465 WeakPolarHBondContact O-CG 3.48Å; C461-Q465 PolarHBondContact O-N 2.98Å; L462-Q465 PolarHBondContact O-N 3.18Å; T463-Q465 VanDerWaalsContact C-N 3.29Å; T463-Q465 PolarHBondContact O-N 2.97Å; Q465-N467 VanDerWaalsContact C-N 3.32Å; Q465-N467 PolarHBondContact O-N 3.37Å; Q465-E468 PolarHBondContact O-N 3.39Å; Q465-L469 WeakPolarHBondContact O-CB 3.22Å; Q465-L469 PolarHBondContact O-N 2.99Å |
| 466 | L | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61 | -38 | -165.3 | -169.3 | 72.8 | 0 | 0 | 0 | 113.4 | L438 V439 L462 T463 G470 W512 T515 A516 M519 | L438-L466 HydrophobicContact CB-CD2 3.96Å; L438-L466 HydrophobicContact CD1-CD2 4.2Å; V439-L466 HydrophobicContact CG2-CB 4.07Å; V439-L466 HydrophobicContact CG2-CD2 4.31Å; L462-L466 WeakPolarHBondContact O-CB 3.36Å; L462-L466 PolarHBondContact O-N 3.07Å; T463-L466 PolarHBondContact O-N 3.25Å; L466-G470 PolarHBondContact O-N 3.1Å; L466-W512 HydrophobicContact CD1-CD2 4.23Å; L466-W512 HydrophobicContact CD1-CG 4.25Å; L466-W512 HydrophobicContact CD1-CZ2 4.24Å; L466-W512 HydrophobicContact CD2-CZ2 4.33Å; L466-W512 HydrophobicContact CG-CZ2 4.45Å; L466-T515 HydrophobicContact CD1-CG2 4.16Å; L466-A516 HydrophobicContact CD1-CB 4.02Å; L466-M519 HydrophobicContact CD2-SD 3.7Å |
| 467 | N | 91 | Very high | 89 | Confident | 47 Ų | 47 | 26.5 Ų | 26.5 | 25% | 0.251 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -69.2 | -41.7 | 179.5 | -100 | -7.4 | 0 | 0 | 0 | 112.7 | C435 N436 V439 Q465 G470 A471 | C435-N467 VanDerWaalsContact CB-OD1 3.27Å; C435-N467 WeakPolarHBondContact CB-OD1 3.48Å; N436-N467 PolarHBondContact N-OD1 2.66Å; N436-N467 PolarHBondContact OD1-ND2 3.41Å; V439-N467 HydrophobicContact CG2-CB 4.4Å; Q465-N467 VanDerWaalsContact C-N 3.32Å; Q465-N467 PolarHBondContact O-N 3.37Å; N467-G470 PolarHBondContact O-N 3.27Å; N467-A471 PolarHBondContact O-N 2.87Å |
| 468 | E | 89.3 | Confident | 90.3 | Very high | 85 Ų | 85 | 26.7 Ų | 26.7 | 40% | 0.397 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67.4 | -45.2 | 175.7 | -166.3 | 179.1 | -172.9 | 0 | 0 | 110.3 | F105 K171 Q465 G470 A471 Q472 | F105-E468 HydrophobicContact CD2-CG 3.82Å; F105-E468 HydrophobicContact CE2-CB 4.08Å; F105-E468 HydrophobicContact CE2-CG 3.67Å; K171-E468 IonicContact NZ-OE1 2.91Å; K171-E468 PolarHBondContact NZ-OE1 3.15Å; K171-E468 IonicContact NZ-OE2 2.66Å; K171-E468 PolarHBondContact NZ-OE2 2.94Å; Q465-E468 PolarHBondContact O-N 3.39Å; E468-G470 VanDerWaalsContact C-N 3.29Å; E468-G470 PolarHBondContact O-N 3.43Å; E468-A471 WeakPolarHBondContact O-CB 3.42Å; E468-A471 PolarHBondContact O-N 3.09Å; E468-A471 VanDerWaalsContact O-N 3.12Å; E468-Q472 VanDerWaalsContact O-CG 3.32Å; E468-Q472 WeakPolarHBondContact O-CG 3.24Å; E468-Q472 PolarHBondContact O-N 3.32Å; E468-Q472 VanDerWaalsContact O-N 3.1Å |
| 469 | L | 94.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.1 | -37.7 | 176.5 | -179.8 | 54.3 | 0 | 0 | 0 | 112.2 | F105 Q465 Q472 V473 M508 H511 W512 T515 | F105-L469 HydrophobicContact CE1-CD1 3.85Å; F105-L469 HydrophobicContact CZ-CB 4.12Å; F105-L469 HydrophobicContact CZ-CD1 4.15Å; Q465-L469 WeakPolarHBondContact O-CB 3.22Å; Q465-L469 PolarHBondContact O-N 2.99Å; L469-Q472 PolarHBondContact O-N 2.98Å; L469-Q472 VanDerWaalsContact O-N 3.15Å; L469-V473 WeakPolarHBondContact O-CG2 3.47Å; L469-V473 PolarHBondContact O-N 3.17Å; L469-M508 HydrophobicContact CD1-CE 3.81Å; L469-H511 WeakPolarHBondContact CD1-ND1 3.35Å; L469-H511 WeakPolarHBondContact CD2-ND1 3.42Å; L469-W512 HydrophobicContact CD2-CB 4.17Å; L469-W512 HydrophobicContact CG-CB 4.12Å; L469-W512 HydrophobicContact CG-CG 4.5Å; L469-T515 HydrophobicContact CD2-CG2 4.43Å |
| 470 | G | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L466 N467 E468 Q472 V473 V474 | L466-G470 PolarHBondContact O-N 3.1Å; N467-G470 PolarHBondContact O-N 3.27Å; E468-G470 VanDerWaalsContact C-N 3.29Å; E468-G470 PolarHBondContact O-N 3.43Å; G470-Q472 VanDerWaalsContact C-N 3.27Å; G470-Q472 PolarHBondContact O-N 3.43Å; G470-V473 PolarHBondContact O-N 2.73Å; G470-V474 PolarHBondContact O-N 2.8Å; G470-V474 VanDerWaalsContact O-N 3.16Å |
| 471 | A | 95.4 | Very high | 92.3 | Very high | 40 Ų | 40 | 23.2 Ų | 23.2 | 33% | 0.331 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.3 | -35.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N467 E468 V474 L475 | N467-A471 PolarHBondContact O-N 2.87Å; E468-A471 WeakPolarHBondContact O-CB 3.42Å; E468-A471 PolarHBondContact O-N 3.09Å; E468-A471 VanDerWaalsContact O-N 3.12Å; A471-V474 WeakPolarHBondContact O-CB 3.25Å; A471-V474 PolarHBondContact O-N 3.49Å; A471-L475 WeakPolarHBondContact O-CG 3.49Å; A471-L475 PolarHBondContact O-N 3.34Å; A471-L475 VanDerWaalsContact O-N 3.1Å |
| 472 | Q | 95.4 | Very high | 92.9 | Very high | 17 Ų | 17 | 23.4 Ų | 23.4 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.5 | -36.6 | 179.5 | -62.3 | -68.7 | -18 | 0 | 0 | 112.8 | A101 N102 F105 E468 L469 G470 V474 L475 A476 M508 | A101-Q472 PolarHBondContact O-OE1 3.19Å; N102-Q472 PolarHBondContact ND2-O 3.39Å; N102-Q472 PolarHBondContact ND2-OE1 3.47Å; F105-Q472 VanDerWaalsContact CB-CD 3.48Å; F105-Q472 HydrophobicContact CB-CG 3.84Å; F105-Q472 HydrophobicContact CD1-CB 4.2Å; F105-Q472 HydrophobicContact CD1-CG 3.76Å; F105-Q472 HydrophobicContact CD2-CG 3.78Å; F105-Q472 HydrophobicContact CE1-CG 4.27Å; F105-Q472 HydrophobicContact CE2-CG 4.28Å; F105-Q472 HydrophobicContact CG-CB 4.42Å; F105-Q472 HydrophobicContact CG-CG 3.5Å; E468-Q472 VanDerWaalsContact O-CG 3.32Å; E468-Q472 WeakPolarHBondContact O-CG 3.24Å; E468-Q472 PolarHBondContact O-N 3.32Å; E468-Q472 VanDerWaalsContact O-N 3.1Å; L469-Q472 PolarHBondContact O-N 2.98Å; L469-Q472 VanDerWaalsContact O-N 3.15Å; G470-Q472 VanDerWaalsContact C-N 3.27Å; G470-Q472 PolarHBondContact O-N 3.43Å; Q472-V474 VanDerWaalsContact C-N 3.3Å; Q472-V474 PolarHBondContact O-N 3.27Å; Q472-L475 PolarHBondContact O-N 3.34Å; Q472-A476 PolarHBondContact O-N 3.41Å; Q472-M508 HydrophobicContact CB-CE 3.6Å |
| 473 | V | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 168.9 | 169.6 | 0 | 0 | 0 | 0 | 111 | L404 L407 F431 L469 G470 L475 A476 G477 F505 M508 W512 | L404-V473 HydrophobicContact CD1-CG1 3.62Å; L407-V473 HydrophobicContact CD2-CG1 4.34Å; F431-V473 HydrophobicContact CE1-CB 4.22Å; F431-V473 HydrophobicContact CE1-CG1 4.04Å; F431-V473 HydrophobicContact CZ-CG1 4.26Å; L469-V473 WeakPolarHBondContact O-CG2 3.47Å; L469-V473 PolarHBondContact O-N 3.17Å; G470-V473 PolarHBondContact O-N 2.73Å; V473-L475 VanDerWaalsContact C-N 3.34Å; V473-L475 PolarHBondContact O-N 3.11Å; V473-A476 PolarHBondContact O-N 3.24Å; V473-G477 PolarHBondContact O-N 3.17Å; V473-F505 HydrophobicContact CG1-CE2 3.88Å; V473-F505 WeakPolarHBondContact O-CE2 3.39Å; V473-M508 HydrophobicContact CG2-CB 4.13Å; V473-M508 WeakPolarHBondContact CG2-O 3.34Å; V473-W512 HydrophobicContact CG2-CB 3.79Å; V473-W512 HydrophobicContact CG2-CG 4.33Å |
| 474 | V | 97.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -36 | 176.2 | 163.9 | 0 | 0 | 0 | 0 | 112.6 | L407 Y424 M428 F431 L432 G470 A471 Q472 R478 | L407-V474 HydrophobicContact CD2-CG2 3.85Å; Y424-V474 PolarHBondContact OH-O 2.93Å; M428-V474 HydrophobicContact CB-CG1 4.36Å; M428-V474 HydrophobicContact CE-CG1 3.84Å; M428-V474 HydrophobicContact CG-CG1 3.56Å; M428-V474 HydrophobicContact CG-CG2 4.11Å; M428-V474 HydrophobicContact SD-CG1 3.48Å; M428-V474 WeakPolarHBondContact SD-CG1 3.41Å; F431-V474 HydrophobicContact CD1-CG2 3.82Å; F431-V474 HydrophobicContact CE1-CG2 4.17Å; L432-V474 HydrophobicContact CD1-CG2 4.29Å; L432-V474 HydrophobicContact CD2-CG2 4.17Å; L432-V474 HydrophobicContact CG-CG2 4.12Å; G470-V474 PolarHBondContact O-N 2.8Å; G470-V474 VanDerWaalsContact O-N 3.16Å; A471-V474 WeakPolarHBondContact O-CB 3.25Å; A471-V474 PolarHBondContact O-N 3.49Å; Q472-V474 VanDerWaalsContact C-N 3.3Å; Q472-V474 PolarHBondContact O-N 3.27Å; V474-R478 WeakPolarHBondContact O-CB 3.36Å; V474-R478 PolarHBondContact O-N 3.35Å |
| 475 | L | 96.1 | Very high | 93.4 | Very high | 47 Ų | 47 | 22.7 Ų | 22.7 | 25% | 0.246 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.1 | -41.6 | 175.3 | -68.4 | 167.6 | 0 | 0 | 0 | 111.4 | E98 A101 A471 Q472 V473 G477 R478 A479 | E98-L475 HydrophobicContact CB-CB 4.3Å; E98-L475 WeakPolarHBondContact CB-O 3.39Å; E98-L475 HydrophobicContact CG-CB 4.42Å; E98-L475 HydrophobicContact CG-CD2 4.08Å; A101-L475 HydrophobicContact CB-CD1 3.76Å; A471-L475 WeakPolarHBondContact O-CG 3.49Å; A471-L475 PolarHBondContact O-N 3.34Å; A471-L475 VanDerWaalsContact O-N 3.1Å; Q472-L475 PolarHBondContact O-N 3.34Å; V473-L475 VanDerWaalsContact C-N 3.34Å; V473-L475 PolarHBondContact O-N 3.11Å; L475-G477 PolarHBondContact O-N 2.96Å; L475-R478 WeakPolarHBondContact O-CB 3.48Å; L475-R478 PolarHBondContact O-N 2.69Å; L475-A479 PolarHBondContact O-N 2.93Å |
| 476 | A | 96.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N102 Q472 V473 R478 A479 V480 F505 M508 | N102-A476 PolarHBondContact OD1-N 3.46Å; Q472-A476 PolarHBondContact O-N 3.41Å; V473-A476 PolarHBondContact O-N 3.24Å; A476-R478 VanDerWaalsContact C-N 3.35Å; A476-R478 PolarHBondContact O-N 3.14Å; A476-A479 WeakPolarHBondContact O-CB 3.34Å; A476-A479 PolarHBondContact O-N 3.1Å; A476-V480 PolarHBondContact O-N 2.94Å; A476-F505 HydrophobicContact CB-CB 4.26Å; A476-F505 HydrophobicContact CB-CD2 3.97Å; A476-M508 HydrophobicContact CB-CB 4.27Å; A476-M508 HydrophobicContact CB-CG 4.07Å |
| 477 | G | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -35.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y424 V473 L475 A479 V480 V481 | Y424-G477 VanDerWaalsContact OH-C 3.27Å; Y424-G477 VanDerWaalsContact OH-CA 3.31Å; Y424-G477 WeakPolarHBondContact OH-CA 3.18Å; V473-G477 PolarHBondContact O-N 3.17Å; L475-G477 PolarHBondContact O-N 2.96Å; G477-A479 VanDerWaalsContact C-N 3.34Å; G477-A479 PolarHBondContact O-N 3.11Å; G477-V480 WeakPolarHBondContact O-CB 3.43Å; G477-V480 PolarHBondContact O-N 3.14Å; G477-V480 VanDerWaalsContact O-N 3.13Å; G477-V481 PolarHBondContact O-N 3.47Å; G477-V481 VanDerWaalsContact O-N 3.07Å |
| 478 | R | 95.7 | Very high | 92.8 | Very high | 45 Ų | 45 | 27.4 Ų | 27.4 | 17% | 0.17 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.7 | -38 | 173.5 | -176.2 | 172.6 | -62.2 | -78.8 | -8.1 | 111.6 | E98 Y424 N425 M428 V474 L475 A476 V480 V481 L482 | E98-R478 HydrophobicContact CG-CB 4.13Å; E98-R478 HydrophobicContact CG-CG 4.11Å; E98-R478 VanDerWaalsContact OE1-CD 3.27Å; E98-R478 WeakPolarHBondContact OE1-CD 3.41Å; Y424-R478 HydrophobicContact CE1-CB 4.04Å; Y424-R478 PolarHBondContact OH-N 3.16Å; Y424-R478 VanDerWaalsContact OH-N 3.16Å; N425-R478 PolarHBondContact OD1-NH1 2.97Å; N425-R478 PolarHBondContact OD1-NH2 3.45Å; M428-R478 PolarHBondContact SD-NH2 3.46Å; V474-R478 WeakPolarHBondContact O-CB 3.36Å; V474-R478 PolarHBondContact O-N 3.35Å; L475-R478 WeakPolarHBondContact O-CB 3.48Å; L475-R478 PolarHBondContact O-N 2.69Å; A476-R478 VanDerWaalsContact C-N 3.35Å; A476-R478 PolarHBondContact O-N 3.14Å; R478-V480 VanDerWaalsContact C-N 3.3Å; R478-V480 PolarHBondContact O-N 3.35Å; R478-V481 PolarHBondContact O-N 2.98Å; R478-L482 HydrophobicContact CG-CD1 4.16Å; R478-L482 HydrophobicContact CG-CG 4.44Å; R478-L482 WeakPolarHBondContact O-CB 3.46Å; R478-L482 VanDerWaalsContact O-CG 3.31Å; R478-L482 WeakPolarHBondContact O-CG 3.39Å; R478-L482 PolarHBondContact O-N 3.49Å |
| 479 | A | 93.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -36.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | E98 L475 A476 G477 L482 S483 T501 | E98-A479 HydrophobicContact CB-CB 4.06Å; L475-A479 PolarHBondContact O-N 2.93Å; A476-A479 WeakPolarHBondContact O-CB 3.34Å; A476-A479 PolarHBondContact O-N 3.1Å; G477-A479 VanDerWaalsContact C-N 3.34Å; G477-A479 PolarHBondContact O-N 3.11Å; A479-L482 PolarHBondContact O-N 2.78Å; A479-S483 VanDerWaalsContact O-CB 3.28Å; A479-S483 WeakPolarHBondContact O-CB 3.46Å; A479-S483 PolarHBondContact O-N 2.97Å; A479-S483 PolarHBondContact O-OG 3.08Å; A479-S483 VanDerWaalsContact O-OG 3.11Å; A479-T501 HydrophobicContact CB-CG2 4.12Å |
| 480 | V | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -52.4 | 172.2 | -176.2 | 0 | 0 | 0 | 0 | 111 | A411 S412 A476 G477 R478 L482 S483 A484 T501 F505 | A411-V480 WeakPolarHBondContact O-CG1 3.33Å; S412-V480 WeakPolarHBondContact OG-CG1 3.48Å; A476-V480 PolarHBondContact O-N 2.94Å; G477-V480 WeakPolarHBondContact O-CB 3.43Å; G477-V480 PolarHBondContact O-N 3.14Å; G477-V480 VanDerWaalsContact O-N 3.13Å; R478-V480 VanDerWaalsContact C-N 3.3Å; R478-V480 PolarHBondContact O-N 3.35Å; V480-L482 VanDerWaalsContact C-N 3.32Å; V480-L482 PolarHBondContact O-N 2.79Å; V480-S483 WeakPolarHBondContact CA-OG 2.85Å; V480-S483 PolarHBondContact O-N 2.89Å; V480-S483 VanDerWaalsContact O-N 3.07Å; V480-S483 PolarHBondContact O-OG 3.3Å; V480-A484 PolarHBondContact O-N 3.13Å; V480-T501 WeakPolarHBondContact CG2-O 3.36Å; V480-F505 HydrophobicContact CG2-CB 3.75Å; V480-F505 HydrophobicContact CG2-CD1 3.86Å; V480-F505 HydrophobicContact CG2-CG 4.11Å |
| 481 | V | 94.1 | Very high | 91.2 | Very high | 14 Ų | 14 | 41 Ų | 41 | 9% | 0.085 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.2 | -46.5 | 178.1 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | A411 P419 Q421 Y424 G477 R478 S483 A484 | A411-V481 HydrophobicContact CB-CG2 3.97Å; P419-V481 HydrophobicContact CB-CG1 4.46Å; P419-V481 HydrophobicContact CB-CG2 4.13Å; P419-V481 HydrophobicContact CG-CB 4.32Å; P419-V481 HydrophobicContact CG-CG1 4.14Å; P419-V481 HydrophobicContact CG-CG2 4.23Å; Q421-V481 HydrophobicContact CB-CG1 4.33Å; Q421-V481 HydrophobicContact CG-CG1 4.29Å; Y424-V481 HydrophobicContact CD1-CG2 4.22Å; Y424-V481 HydrophobicContact CD2-CG2 4.01Å; Y424-V481 HydrophobicContact CE2-CG2 4.44Å; Y424-V481 HydrophobicContact CG-CG2 3.89Å; G477-V481 PolarHBondContact O-N 3.47Å; G477-V481 VanDerWaalsContact O-N 3.07Å; R478-V481 PolarHBondContact O-N 2.98Å; V481-S483 VanDerWaalsContact C-N 3.34Å; V481-S483 PolarHBondContact O-N 3.49Å; V481-A484 VanDerWaalsContact O-CB 3.32Å; V481-A484 WeakPolarHBondContact O-CB 3.18Å; V481-A484 PolarHBondContact O-N 2.92Å |
| 482 | L | 91.8 | Very high | 90.4 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 27% | 0.272 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.3 | -31.9 | 178 | -71.4 | 174.9 | 0 | 0 | 0 | 113.4 | P94 E98 R478 A479 V480 A484 | P94-L482 HydrophobicContact CB-CB 4.23Å; E98-L482 WeakPolarHBondContact OE1-CD1 3.36Å; R478-L482 HydrophobicContact CG-CD1 4.16Å; R478-L482 HydrophobicContact CG-CG 4.44Å; R478-L482 WeakPolarHBondContact O-CB 3.46Å; R478-L482 VanDerWaalsContact O-CG 3.31Å; R478-L482 WeakPolarHBondContact O-CG 3.39Å; R478-L482 PolarHBondContact O-N 3.49Å; A479-L482 PolarHBondContact O-N 2.78Å; V480-L482 VanDerWaalsContact C-N 3.32Å; V480-L482 PolarHBondContact O-N 2.79Å; L482-A484 VanDerWaalsContact C-N 3.28Å; L482-A484 PolarHBondContact O-N 3.17Å |
| 483 | S | 91.5 | Very high | 89.7 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1 | 176.9 | 69.7 | 0 | 0 | 0 | 0 | 114.7 | A479 V480 V481 T501 | A479-S483 VanDerWaalsContact O-CB 3.28Å; A479-S483 WeakPolarHBondContact O-CB 3.46Å; A479-S483 PolarHBondContact O-N 2.97Å; A479-S483 PolarHBondContact O-OG 3.08Å; A479-S483 VanDerWaalsContact O-OG 3.11Å; V480-S483 WeakPolarHBondContact CA-OG 2.85Å; V480-S483 PolarHBondContact O-N 2.89Å; V480-S483 VanDerWaalsContact O-N 3.07Å; V480-S483 PolarHBondContact O-OG 3.3Å; V481-S483 VanDerWaalsContact C-N 3.34Å; V481-S483 PolarHBondContact O-N 3.49Å; S483-T501 PolarHBondContact OG-OG1 3.01Å |
| 484 | A | 89.8 | Confident | 88.9 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L418 P419 V480 V481 L482 P486 | L418-A484 HydrophobicContact CD2-CB 4.37Å; L418-A484 VanDerWaalsContact CD2-O 3.3Å; L418-A484 WeakPolarHBondContact CD2-O 3.4Å; P419-A484 HydrophobicContact CG-CB 3.72Å; V480-A484 PolarHBondContact O-N 3.13Å; V481-A484 VanDerWaalsContact O-CB 3.32Å; V481-A484 WeakPolarHBondContact O-CB 3.18Å; V481-A484 PolarHBondContact O-N 2.92Å; L482-A484 VanDerWaalsContact C-N 3.28Å; L482-A484 PolarHBondContact O-N 3.17Å; A484-P486 WeakPolarHBondContact O-CD 3.14Å |
| 485 | D | 86.6 | Confident | 88.1 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | trans | -60 | 118.9 | 179.2 | 174.3 | 12.9 | 0 | 0 | 0 | 111.6 | N487 L488 | D485-N487 PolarHBondContact O-N 3.35Å; D485-N487 VanDerWaalsContact O-N 3.14Å; D485-N487 WeakPolarHBondContact OD1-CB 3.43Å; D485-N487 PolarHBondContact OD1-N 3.11Å; D485-N487 PolarHBondContact OD1-ND2 3.38Å; D485-L488 HydrophobicContact CB-CD1 4.02Å; D485-L488 HydrophobicContact CB-CG 4.02Å; D485-L488 WeakPolarHBondContact O-CB 3.33Å; D485-L488 PolarHBondContact O-N 3.34Å; D485-L488 VanDerWaalsContact O-N 3.12Å | ||
| 486 | P | 83.6 | Confident | 87.7 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -56.7 | -28.8 | 178.9 | -25.6 | 35.6 | 0 | 0 | 0 | 114.1 | L418 A484 L488 Q489 | L418-P486 HydrophobicContact CD2-CG 4.4Å; A484-P486 WeakPolarHBondContact O-CD 3.14Å; P486-L488 PolarHBondContact O-N 3.1Å; P486-Q489 WeakPolarHBondContact O-CB 3.39Å; P486-Q489 PolarHBondContact O-N 3.47Å |
| 487 | N | 85.4 | Confident | 87.5 | Confident | 107 Ų | 107 | 49.6 Ų | 49.6 | 57% | 0.572 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -65.8 | -23.1 | -178.7 | -60.9 | -76.3 | 0 | 0 | 0 | 112.7 | D485 Q489 L490 | D485-N487 PolarHBondContact O-N 3.35Å; D485-N487 VanDerWaalsContact O-N 3.14Å; D485-N487 WeakPolarHBondContact OD1-CB 3.43Å; D485-N487 PolarHBondContact OD1-N 3.11Å; D485-N487 PolarHBondContact OD1-ND2 3.38Å; N487-Q489 PolarHBondContact O-N 3.05Å; N487-L490 PolarHBondContact O-N 3.42Å |
| 488 | L | 86.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -65.7 | -24.1 | 177 | -62.2 | 173.8 | 0 | 0 | 0 | 112.6 | L93 P94 D485 P486 L490 Q491 G494 L497 | L93-L488 HydrophobicContact CD2-CD2 4.44Å; P94-L488 HydrophobicContact CG-CD1 3.72Å; P94-L488 HydrophobicContact CG-CD2 4Å; D485-L488 HydrophobicContact CB-CD1 4.02Å; D485-L488 HydrophobicContact CB-CG 4.02Å; D485-L488 WeakPolarHBondContact O-CB 3.33Å; D485-L488 PolarHBondContact O-N 3.34Å; D485-L488 VanDerWaalsContact O-N 3.12Å; P486-L488 PolarHBondContact O-N 3.1Å; L488-L490 PolarHBondContact O-N 2.89Å; L488-Q491 WeakPolarHBondContact O-CB 3.36Å; L488-Q491 PolarHBondContact O-N 3.05Å; L488-G494 WeakPolarHBondContact O-CA 3.36Å; L488-L497 HydrophobicContact CD1-CD2 4.36Å |
| 489 | Q | 81.4 | Confident | 86.9 | Confident | 131 Ų | 131 | 57.5 Ų | 57.5 | 61% | 0.612 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -62.8 | -25.1 | 179.5 | -62.3 | -176.2 | 13.4 | 0 | 0 | 113.1 | P486 N487 Q491 | P486-Q489 WeakPolarHBondContact O-CB 3.39Å; P486-Q489 PolarHBondContact O-N 3.47Å; N487-Q489 PolarHBondContact O-N 3.05Å; Q489-Q491 VanDerWaalsContact C-N 3.33Å |
| 490 | L | 82.1 | Confident | 86.9 | Confident | 159 Ų | 159 | 58.5 Ų | 58.5 | 83% | 0.832 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -84.1 | -7.7 | 177.4 | -59.4 | 176.3 | 0 | 0 | 0 | 113 | N487 L488 | N487-L490 PolarHBondContact O-N 3.42Å; L488-L490 PolarHBondContact O-N 2.89Å |
| 491 | Q | 82.8 | Confident | 87 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 38% | 0.379 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -92.8 | 148.4 | -178.4 | -57.8 | -173.6 | 15.5 | 0 | 0 | 111.4 | L93 L488 Q489 G493 G494 | L93-Q491 HydrophobicContact CD2-CB 3.98Å; L488-Q491 WeakPolarHBondContact O-CB 3.36Å; L488-Q491 PolarHBondContact O-N 3.05Å; Q489-Q491 VanDerWaalsContact C-N 3.33Å; Q491-G493 PolarHBondContact O-N 2.82Å; Q491-G494 PolarHBondContact O-N 3.5Å |
| 492 | P | 80.3 | Confident | 87 | Confident | 97 Ų | 97 | 59 Ų | 59 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 131.4 | 173.2 | -26.9 | 35.8 | 0 | 0 | 0 | 111.9 | N91 G494 | N91-P492 VanDerWaalsContact CB-O 3.24Å; N91-P492 WeakPolarHBondContact CB-O 3.38Å; P492-G494 PolarHBondContact O-N 3.2Å |
| 493 | G | 79.2 | Confident | 87.1 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | -10.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N87 Q491 | N87-G493 PolarHBondContact ND2-O 3.03Å; Q491-G493 PolarHBondContact O-N 2.82Å |
| 494 | G | 81.8 | Confident | 87.4 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -77.1 | -29.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L488 Q491 P492 S496 L497 | L488-G494 WeakPolarHBondContact O-CA 3.36Å; Q491-G494 PolarHBondContact O-N 3.5Å; P492-G494 PolarHBondContact O-N 3.2Å; G494-S496 PolarHBondContact O-N 2.89Å; G494-L497 WeakPolarHBondContact O-CB 3.49Å; G494-L497 PolarHBondContact O-N 3.21Å |
| 495 | A | 81.3 | Confident | 87.7 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 69% | 0.694 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -57.5 | -21.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 496 | S | 86.9 | Confident | 88.2 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -116.2 | 3.1 | 173.7 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | G494 Q499 A500 | G494-S496 PolarHBondContact O-N 2.89Å; S496-Q499 PolarHBondContact O-N 3.36Å; S496-A500 PolarHBondContact O-N 2.72Å |
| 497 | L | 91.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -48.8 | -173.2 | -176.7 | 71 | 0 | 0 | 0 | 111.9 | L84 T88 L93 L488 G494 Q499 A500 T501 | L84-L497 HydrophobicContact CD1-CD1 3.91Å; T88-L497 HydrophobicContact CG2-CD1 3.63Å; L93-L497 HydrophobicContact CB-CD2 4.01Å; L93-L497 HydrophobicContact CD1-CD1 4.35Å; L93-L497 HydrophobicContact CD1-CD2 4.19Å; L488-L497 HydrophobicContact CD1-CD2 4.36Å; G494-L497 WeakPolarHBondContact O-CB 3.49Å; G494-L497 PolarHBondContact O-N 3.21Å; L497-Q499 PolarHBondContact O-N 2.89Å; L497-A500 PolarHBondContact O-N 2.97Å; L497-A500 VanDerWaalsContact O-N 3.11Å; L497-T501 HydrophobicContact CD1-CG2 4.26Å; L497-T501 HydrophobicContact CG-CG2 4.3Å; L497-T501 WeakPolarHBondContact O-CG2 3.45Å; L497-T501 PolarHBondContact O-N 2.78Å; L497-T501 PolarHBondContact O-OG1 3.42Å; L497-T501 VanDerWaalsContact O-OG1 3.09Å |
| 498 | K | 89.8 | Confident | 89.3 | Confident | 96 Ų | 96 | 53 Ų | 53 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.4 | -33 | -179.9 | -171.7 | 179.4 | 180 | 178.1 | 0 | 113 | T501 S502 | K498-T501 WeakPolarHBondContact CA-OG1 3.47Å; K498-T501 PolarHBondContact O-OG1 2.73Å; K498-T501 VanDerWaalsContact O-OG1 3.08Å; K498-S502 VanDerWaalsContact O-CB 3.31Å; K498-S502 WeakPolarHBondContact O-CB 3.17Å; K498-S502 PolarHBondContact O-N 3.26Å |
| 499 | Q | 91.3 | Very high | 89.8 | Confident | 115 Ų | 115 | 56 Ų | 56 | 54% | 0.537 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.8 | -47.8 | 174.3 | -169.1 | 62.7 | 48.5 | 0 | 0 | 110.3 | S496 L497 T501 S502 D503 | S496-Q499 PolarHBondContact O-N 3.36Å; L497-Q499 PolarHBondContact O-N 2.89Å; Q499-T501 VanDerWaalsContact C-N 3.34Å; Q499-T501 PolarHBondContact O-N 3.42Å; Q499-S502 PolarHBondContact O-N 3.18Å; Q499-S502 VanDerWaalsContact O-N 3.14Å; Q499-D503 PolarHBondContact NE2-OD1 3.36Å; Q499-D503 WeakPolarHBondContact O-CB 3.45Å; Q499-D503 PolarHBondContact O-N 2.89Å |
| 500 | A | 93.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -34.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L84 S496 L497 H504 | L84-A500 HydrophobicContact CD1-CB 4.17Å; S496-A500 PolarHBondContact O-N 2.72Å; L497-A500 PolarHBondContact O-N 2.97Å; L497-A500 VanDerWaalsContact O-N 3.11Å; A500-H504 WeakPolarHBondContact O-CB 3.37Å; A500-H504 PolarHBondContact O-N 2.89Å; A500-H504 VanDerWaalsContact O-N 3.12Å |
| 501 | T | 95.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 171.6 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | L84 A479 V480 S483 L497 K498 Q499 H504 F505 | L84-T501 HydrophobicContact CD1-CG2 3.72Å; L84-T501 HydrophobicContact CD2-CG2 4.18Å; A479-T501 HydrophobicContact CB-CG2 4.12Å; V480-T501 WeakPolarHBondContact CG2-O 3.36Å; S483-T501 PolarHBondContact OG-OG1 3.01Å; L497-T501 HydrophobicContact CD1-CG2 4.26Å; L497-T501 HydrophobicContact CG-CG2 4.3Å; L497-T501 WeakPolarHBondContact O-CG2 3.45Å; L497-T501 PolarHBondContact O-N 2.78Å; L497-T501 PolarHBondContact O-OG1 3.42Å; L497-T501 VanDerWaalsContact O-OG1 3.09Å; K498-T501 WeakPolarHBondContact CA-OG1 3.47Å; K498-T501 PolarHBondContact O-OG1 2.73Å; K498-T501 VanDerWaalsContact O-OG1 3.08Å; Q499-T501 VanDerWaalsContact C-N 3.34Å; Q499-T501 PolarHBondContact O-N 3.42Å; T501-H504 PolarHBondContact O-N 2.9Å; T501-F505 WeakPolarHBondContact O-CB 3.3Å; T501-F505 PolarHBondContact O-N 2.96Å |
| 502 | S | 94.2 | Very high | 91.7 | Very high | 21 Ų | 21 | 43 Ų | 43 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 179.8 | -168.3 | 0 | 0 | 0 | 0 | 112 | K498 Q499 H504 F505 L506 | K498-S502 VanDerWaalsContact O-CB 3.31Å; K498-S502 WeakPolarHBondContact O-CB 3.17Å; K498-S502 PolarHBondContact O-N 3.26Å; Q499-S502 PolarHBondContact O-N 3.18Å; Q499-S502 VanDerWaalsContact O-N 3.14Å; S502-H504 PolarHBondContact O-N 3.47Å; S502-F505 PolarHBondContact O-N 2.86Å; S502-L506 WeakPolarHBondContact O-CG 3.38Å; S502-L506 PolarHBondContact O-N 2.81Å |
| 503 | D | 95.4 | Very high | 92.5 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.4 | -47.1 | 173.2 | -65 | -19 | 0 | 0 | 0 | 110.9 | Q499 L506 M507 | Q499-D503 PolarHBondContact NE2-OD1 3.36Å; Q499-D503 WeakPolarHBondContact O-CB 3.45Å; Q499-D503 PolarHBondContact O-N 2.89Å; D503-L506 WeakPolarHBondContact O-CB 3.39Å; D503-L506 PolarHBondContact O-N 3.49Å; D503-M507 VanDerWaalsContact O-CG 3.31Å; D503-M507 WeakPolarHBondContact O-CG 3.47Å; D503-M507 PolarHBondContact O-N 2.99Å; D503-M507 VanDerWaalsContact O-N 3.08Å |
| 504 | H | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.5 | -39 | 178.7 | -170.4 | 41.9 | 0 | 0 | 0 | 112.3 | S81 L84 A500 T501 S502 M507 M508 | S81-H504 VanDerWaalsContact CB-CE1 3.44Å; S81-H504 WeakPolarHBondContact CB-CE1 3.46Å; S81-H504 WeakPolarHBondContact CB-NE2 2.89Å; S81-H504 PolarHBondContact OG-NE2 2.72Å; L84-H504 HydrophobicContact CD2-CB 4.31Å; A500-H504 WeakPolarHBondContact O-CB 3.37Å; A500-H504 PolarHBondContact O-N 2.89Å; A500-H504 VanDerWaalsContact O-N 3.12Å; T501-H504 PolarHBondContact O-N 2.9Å; S502-H504 PolarHBondContact O-N 3.47Å; H504-M507 WeakPolarHBondContact O-CB 3.28Å; H504-M507 PolarHBondContact O-N 2.79Å; H504-M508 WeakPolarHBondContact O-CG 3.43Å; H504-M508 PolarHBondContact O-N 2.97Å |
| 505 | F | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -37.1 | 175.9 | -178.3 | -141.6 | 0 | 0 | 0 | 112 | L407 F408 A411 V473 A476 V480 T501 S502 M508 R509 | L407-F505 HydrophobicContact CG-CZ 4.47Å; F408-F505 HydrophobicContact CB-CE1 4.29Å; F408-F505 HydrophobicContact CB-CZ 4.46Å; F408-F505 AromaticContact CD2-CD1 3.54Å; F408-F505 HydrophobicContact CD2-CD1 3.54Å; F408-F505 AromaticContact CD2-CE1 3.24Å; F408-F505 HydrophobicContact CD2-CE1 3.24Å; F408-F505 HydrophobicContact CD2-CG 4.35Å; F408-F505 AromaticContact CD2-CZ 3.83Å; F408-F505 HydrophobicContact CD2-CZ 3.83Å; F408-F505 AromaticContact CE2-CD1 3.45Å; F408-F505 HydrophobicContact CE2-CD1 3.45Å; F408-F505 VanDerWaalsContact CE2-CD1 3.45Å; F408-F505 AromaticContact CE2-CE1 3.69Å; F408-F505 HydrophobicContact CE2-CE1 3.69Å; F408-F505 HydrophobicContact CE2-CG 4.19Å; F408-F505 AromaticContact CG-CE1 3.98Å; F408-F505 HydrophobicContact CG-CE1 3.98Å; F408-F505 HydrophobicContact CZ-CD1 4.42Å; A411-F505 HydrophobicContact CB-CE1 3.8Å; A411-F505 HydrophobicContact CB-CZ 4.44Å; V473-F505 HydrophobicContact CG1-CE2 3.88Å; V473-F505 WeakPolarHBondContact O-CE2 3.39Å; A476-F505 HydrophobicContact CB-CB 4.26Å; A476-F505 HydrophobicContact CB-CD2 3.97Å; V480-F505 HydrophobicContact CG2-CB 3.75Å; V480-F505 HydrophobicContact CG2-CD1 3.86Å; V480-F505 HydrophobicContact CG2-CG 4.11Å; T501-F505 WeakPolarHBondContact O-CB 3.3Å; T501-F505 PolarHBondContact O-N 2.96Å; S502-F505 PolarHBondContact O-N 2.86Å; F505-M508 PolarHBondContact O-N 3.44Å; F505-R509 VanDerWaalsContact O-CB 3.24Å; F505-R509 WeakPolarHBondContact O-CB 3.48Å; F505-R509 PolarHBondContact O-N 3.3Å |
| 506 | L | 96.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 35.4 Ų | 35.4 | 33% | 0.33 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 170 | -75.6 | 168.9 | 0 | 0 | 0 | 112.1 | F408 S502 D503 R509 Q510 | F408-L506 HydrophobicContact CE1-CD2 4.37Å; F408-L506 HydrophobicContact CE2-CD2 3.56Å; F408-L506 HydrophobicContact CE2-CG 3.93Å; F408-L506 HydrophobicContact CZ-CD2 3.42Å; F408-L506 VanDerWaalsContact CZ-CD2 3.42Å; F408-L506 HydrophobicContact CZ-CG 3.85Å; S502-L506 WeakPolarHBondContact O-CG 3.38Å; S502-L506 PolarHBondContact O-N 2.81Å; D503-L506 WeakPolarHBondContact O-CB 3.39Å; D503-L506 PolarHBondContact O-N 3.49Å; L506-R509 VanDerWaalsContact CD2-CZ 3.45Å; L506-R509 PolarHBondContact O-N 3.07Å; L506-Q510 PolarHBondContact O-N 2.7Å |
| 507 | M | 96.5 | Very high | 94.7 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63 | -45.1 | 176.1 | -63.9 | 171.6 | 90.7 | 0 | 0 | 111.8 | P76 I77 D503 H504 Q510 H511 | P76-M507 HydrophobicContact CB-CE 3.83Å; P76-M507 HydrophobicContact CG-CE 4.4Å; P76-M507 WeakPolarHBondContact O-CE 3.23Å; I77-M507 HydrophobicContact CB-CE 4.49Å; I77-M507 HydrophobicContact CG1-CB 4.46Å; I77-M507 HydrophobicContact CG1-CE 4.17Å; I77-M507 HydrophobicContact CG2-CB 4.36Å; D503-M507 VanDerWaalsContact O-CG 3.31Å; D503-M507 WeakPolarHBondContact O-CG 3.47Å; D503-M507 PolarHBondContact O-N 2.99Å; D503-M507 VanDerWaalsContact O-N 3.08Å; H504-M507 WeakPolarHBondContact O-CB 3.28Å; H504-M507 PolarHBondContact O-N 2.79Å; M507-Q510 PolarHBondContact O-N 2.67Å; M507-H511 WeakPolarHBondContact O-CB 3.23Å; M507-H511 PolarHBondContact O-N 3.02Å |
| 508 | M | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 177 | -69.1 | -62.5 | -68.9 | 0 | 0 | 112.1 | I77 L106 L469 Q472 V473 A476 H504 F505 H511 W512 | I77-M508 HydrophobicContact CG2-SD 3.69Å; L106-M508 HydrophobicContact CD1-SD 4.21Å; L106-M508 HydrophobicContact CD2-SD 4.29Å; L469-M508 HydrophobicContact CD1-CE 3.81Å; Q472-M508 HydrophobicContact CB-CE 3.6Å; V473-M508 HydrophobicContact CG2-CB 4.13Å; V473-M508 WeakPolarHBondContact CG2-O 3.34Å; A476-M508 HydrophobicContact CB-CB 4.27Å; A476-M508 HydrophobicContact CB-CG 4.07Å; H504-M508 WeakPolarHBondContact O-CG 3.43Å; H504-M508 PolarHBondContact O-N 2.97Å; F505-M508 PolarHBondContact O-N 3.44Å; M508-H511 WeakPolarHBondContact O-CB 3.31Å; M508-H511 PolarHBondContact O-N 2.93Å; M508-W512 PolarHBondContact O-N 2.91Å |
| 509 | R | 96.2 | Very high | 94.8 | Very high | 73 Ų | 73 | 35.6 Ų | 35.6 | 28% | 0.275 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.4 | -46 | 174.3 | -172.3 | -170.6 | 76.7 | -173.7 | 5.2 | 111.3 | L404 F505 L506 T513 | L404-R509 HydrophobicContact CD1-CG 4.18Å; L404-R509 HydrophobicContact CD2-CG 3.82Å; L404-R509 HydrophobicContact CG-CG 3.93Å; F505-R509 VanDerWaalsContact O-CB 3.24Å; F505-R509 WeakPolarHBondContact O-CB 3.48Å; F505-R509 PolarHBondContact O-N 3.3Å; L506-R509 VanDerWaalsContact CD2-CZ 3.45Å; L506-R509 PolarHBondContact O-N 3.07Å; R509-T513 WeakPolarHBondContact O-CB 3.47Å; R509-T513 PolarHBondContact O-N 3.31Å; R509-T513 PolarHBondContact O-OG1 3.2Å |
| 510 | Q | 95.9 | Very high | 94.9 | Very high | 94 Ų | 94 | 31.3 Ų | 31.3 | 44% | 0.439 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 175.9 | -167.9 | 61.7 | 41.9 | 0 | 0 | 110.9 | L506 M507 W512 T513 D514 | L506-Q510 PolarHBondContact O-N 2.7Å; M507-Q510 PolarHBondContact O-N 2.67Å; Q510-W512 VanDerWaalsContact C-N 3.3Å; Q510-W512 PolarHBondContact O-N 3.09Å; Q510-T513 WeakPolarHBondContact O-CA 3.46Å; Q510-T513 PolarHBondContact O-N 2.94Å; Q510-D514 PolarHBondContact NE2-OD1 3.39Å; Q510-D514 PolarHBondContact O-N 3.46Å |
| 511 | H | 94.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.9 | -41.7 | -179.4 | -170 | -119.2 | 0 | 0 | 0 | 113.6 | R73 L74 I77 E109 L469 M507 M508 T515 | R73-H511 VanDerWaalsContact CZ-NE2 3.29Å; R73-H511 PolarHBondContact NH1-CD2 3.03Å; R73-H511 PolarHBondContact NH1-O 3.25Å; R73-H511 PolarHBondContact NH2-CD2 3.36Å; R73-H511 PolarHBondContact NH2-NE2 3.23Å; L74-H511 WeakPolarHBondContact CD2-NE2 3.41Å; I77-H511 HydrophobicContact CD1-CB 3.9Å; E109-H511 IonicContact OE1-CE1 2.99Å; E109-H511 PolarHBondContact OE1-CE1 3.34Å; E109-H511 IonicContact OE2-CE1 2.9Å; E109-H511 PolarHBondContact OE2-CE1 3.08Å; E109-H511 VanDerWaalsContact OE2-CE1 3.31Å; L469-H511 WeakPolarHBondContact CD1-ND1 3.35Å; L469-H511 WeakPolarHBondContact CD2-ND1 3.42Å; M507-H511 WeakPolarHBondContact O-CB 3.23Å; M507-H511 PolarHBondContact O-N 3.02Å; M508-H511 WeakPolarHBondContact O-CB 3.31Å; M508-H511 PolarHBondContact O-N 2.93Å; H511-T515 WeakPolarHBondContact O-CB 3.27Å; H511-T515 PolarHBondContact O-OG1 2.9Å |
| 512 | W | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.8 | -44.2 | 172.2 | -175.4 | 97.6 | 0 | 0 | 0 | 112 | L400 L404 F431 L438 L466 L469 V473 M508 Q510 T515 A516 | L400-W512 HydrophobicContact CG-CZ3 4.46Å; L400-W512 WeakPolarHBondContact O-CH2 3.14Å; L404-W512 HydrophobicContact CD2-CD2 4.03Å; L404-W512 HydrophobicContact CD2-CE3 3.35Å; L404-W512 HydrophobicContact CD2-CZ3 3.79Å; F431-W512 HydrophobicContact CE2-CD2 4.05Å; F431-W512 AromaticContact CE2-CE2 3.63Å; F431-W512 HydrophobicContact CE2-CE3 4.3Å; F431-W512 AromaticContact CE2-CH2 3.85Å; F431-W512 HydrophobicContact CE2-CH2 3.85Å; F431-W512 AromaticContact CE2-CZ2 3.54Å; F431-W512 HydrophobicContact CE2-CZ2 3.54Å; F431-W512 HydrophobicContact CE2-CZ3 4.21Å; F431-W512 AromaticContact CZ-CD2 3.94Å; F431-W512 HydrophobicContact CZ-CD2 3.94Å; F431-W512 AromaticContact CZ-CE2 3.61Å; F431-W512 HydrophobicContact CZ-CG 4.21Å; F431-W512 HydrophobicContact CZ-CZ2 4Å; F431-W512 AromaticContact CZ-NE1 3.65Å; L438-W512 HydrophobicContact CD1-CH2 3.9Å; L438-W512 HydrophobicContact CD1-CZ2 3.94Å; L466-W512 HydrophobicContact CD1-CD2 4.23Å; L466-W512 HydrophobicContact CD1-CG 4.25Å; L466-W512 HydrophobicContact CD1-CZ2 4.24Å; L466-W512 HydrophobicContact CD2-CZ2 4.33Å; L466-W512 HydrophobicContact CG-CZ2 4.45Å; L469-W512 HydrophobicContact CD2-CB 4.17Å; L469-W512 HydrophobicContact CG-CB 4.12Å; L469-W512 HydrophobicContact CG-CG 4.5Å; V473-W512 HydrophobicContact CG2-CB 3.79Å; V473-W512 HydrophobicContact CG2-CG 4.33Å; M508-W512 PolarHBondContact O-N 2.91Å; Q510-W512 VanDerWaalsContact C-N 3.3Å; Q510-W512 PolarHBondContact O-N 3.09Å; W512-T515 WeakPolarHBondContact O-CB 3.44Å; W512-T515 PolarHBondContact O-N 3.23Å; W512-T515 VanDerWaalsContact O-N 3.07Å; W512-A516 HydrophobicContact CD2-CB 4.38Å; W512-A516 HydrophobicContact CE3-CB 4.02Å; W512-A516 HydrophobicContact CH2-CB 3.93Å; W512-A516 HydrophobicContact CZ2-CB 4.27Å; W512-A516 HydrophobicContact CZ3-CB 3.8Å; W512-A516 WeakPolarHBondContact O-CB 3.21Å; W512-A516 PolarHBondContact O-N 3.39Å |
| 513 | T | 96.2 | Very high | 94.1 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -51.3 | -178.8 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | V401 R509 Q510 T515 A516 E517 | V401-T513 HydrophobicContact CG2-CG2 4.17Å; R509-T513 WeakPolarHBondContact O-CB 3.47Å; R509-T513 PolarHBondContact O-N 3.31Å; R509-T513 PolarHBondContact O-OG1 3.2Å; Q510-T513 WeakPolarHBondContact O-CA 3.46Å; Q510-T513 PolarHBondContact O-N 2.94Å; T513-T515 PolarHBondContact O-N 2.93Å; T513-T515 VanDerWaalsContact O-N 3.11Å; T513-A516 PolarHBondContact O-N 3.48Å; T513-E517 HydrophobicContact CG2-CG 4.35Å; T513-E517 WeakPolarHBondContact O-CB 3.42Å; T513-E517 WeakPolarHBondContact O-CG 3.48Å; T513-E517 PolarHBondContact O-N 3.46Å |
| 514 | D | 93.4 | Very high | 93.7 | Very high | 43 Ų | 43 | 30.4 Ų | 30.4 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.1 | -33.8 | 174.8 | -53.4 | -21.7 | 0 | 0 | 0 | 112.8 | R73 Q510 R518 | R73-D514 IonicContact CZ-OD2 3.31Å; R73-D514 IonicContact NH1-OD2 3.39Å; R73-D514 PolarHBondContact NH1-OD2 3.46Å; Q510-D514 PolarHBondContact NE2-OD1 3.39Å; Q510-D514 PolarHBondContact O-N 3.46Å; D514-R518 WeakPolarHBondContact O-CB 3.32Å; D514-R518 VanDerWaalsContact O-CG 3.25Å; D514-R518 WeakPolarHBondContact O-CG 3.39Å; D514-R518 PolarHBondContact O-N 2.68Å; D514-R518 PolarHBondContact O-NE 3.05Å |
| 515 | T | 92.4 | Very high | 93 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -80.4 | -42.7 | -174.7 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | R73 L462 L466 L469 H511 W512 T513 E517 R518 M519 | R73-T515 PolarHBondContact NH2-OG1 2.96Å; L462-T515 HydrophobicContact CD2-CG2 3.87Å; L466-T515 HydrophobicContact CD1-CG2 4.16Å; L469-T515 HydrophobicContact CD2-CG2 4.43Å; H511-T515 WeakPolarHBondContact O-CB 3.27Å; H511-T515 PolarHBondContact O-OG1 2.9Å; W512-T515 WeakPolarHBondContact O-CB 3.44Å; W512-T515 PolarHBondContact O-N 3.23Å; W512-T515 VanDerWaalsContact O-N 3.07Å; T513-T515 PolarHBondContact O-N 2.93Å; T513-T515 VanDerWaalsContact O-N 3.11Å; T515-E517 VanDerWaalsContact C-N 3.32Å; T515-E517 PolarHBondContact O-N 3Å; T515-R518 PolarHBondContact OG1-NH2 3.41Å; T515-M519 VanDerWaalsContact O-CB 3.27Å; T515-M519 WeakPolarHBondContact O-CB 3.48Å; T515-M519 PolarHBondContact O-N 2.91Å |
| 516 | A | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -32.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L400 L466 W512 T513 R520 | L400-A516 HydrophobicContact CD1-CB 3.89Å; L400-A516 HydrophobicContact CD2-CB 3.78Å; L400-A516 HydrophobicContact CG-CB 3.87Å; L466-A516 HydrophobicContact CD1-CB 4.02Å; W512-A516 HydrophobicContact CD2-CB 4.38Å; W512-A516 HydrophobicContact CE3-CB 4.02Å; W512-A516 HydrophobicContact CH2-CB 3.93Å; W512-A516 HydrophobicContact CZ2-CB 4.27Å; W512-A516 HydrophobicContact CZ3-CB 3.8Å; W512-A516 WeakPolarHBondContact O-CB 3.21Å; W512-A516 PolarHBondContact O-N 3.39Å; T513-A516 PolarHBondContact O-N 3.48Å; A516-R520 WeakPolarHBondContact O-CB 3.42Å; A516-R520 PolarHBondContact O-N 3.4Å |
| 517 | E | 94.1 | Very high | 91.6 | Very high | 100 Ų | 100 | 31.2 Ų | 31.2 | 47% | 0.467 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -75.9 | -39.7 | 176.9 | -74.9 | -171.4 | 163.7 | 0 | 0 | 113 | L400 T513 T515 M519 R520 A521 | L400-E517 HydrophobicContact CD2-CB 4.35Å; L400-E517 HydrophobicContact CD2-CG 3.39Å; T513-E517 HydrophobicContact CG2-CG 4.35Å; T513-E517 WeakPolarHBondContact O-CB 3.42Å; T513-E517 WeakPolarHBondContact O-CG 3.48Å; T513-E517 PolarHBondContact O-N 3.46Å; T515-E517 VanDerWaalsContact C-N 3.32Å; T515-E517 PolarHBondContact O-N 3Å; E517-M519 VanDerWaalsContact C-N 3.33Å; E517-R520 WeakPolarHBondContact O-CB 3.27Å; E517-R520 PolarHBondContact O-N 3.27Å; E517-A521 WeakPolarHBondContact O-CB 3.27Å; E517-A521 PolarHBondContact O-N 3.34Å |
| 518 | R | 90.1 | Very high | 91.1 | Very high | 74 Ų | 74 | 32.2 Ų | 32.2 | 28% | 0.279 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 170 | -73.4 | 177.2 | -59.9 | 143.1 | 3.6 | 111.8 | L462 D514 T515 A521 L522 | L462-R518 HydrophobicContact CD1-CB 4.13Å; D514-R518 WeakPolarHBondContact O-CB 3.32Å; D514-R518 VanDerWaalsContact O-CG 3.25Å; D514-R518 WeakPolarHBondContact O-CG 3.39Å; D514-R518 PolarHBondContact O-N 2.68Å; D514-R518 PolarHBondContact O-NE 3.05Å; T515-R518 PolarHBondContact OG1-NH2 3.41Å; R518-A521 PolarHBondContact O-N 2.86Å; R518-L522 PolarHBondContact O-N 2.85Å |
| 519 | M | 93.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.8 | -49.3 | 175.7 | -175.2 | -174 | -169.5 | 0 | 0 | 111.1 | Y397 L438 L459 L462 T463 L466 T515 E517 A521 L522 V523 | Y397-M519 WeakPolarHBondContact OH-CE 3.33Å; Y397-M519 PolarHBondContact OH-SD 3.18Å; L438-M519 VanDerWaalsContact O-CE 3.29Å; L438-M519 WeakPolarHBondContact O-CE 3.35Å; L459-M519 HydrophobicContact CD1-CB 4.5Å; L459-M519 HydrophobicContact CD1-CE 4.4Å; L459-M519 HydrophobicContact CD1-CG 3.61Å; L462-M519 HydrophobicContact CB-CB 4.25Å; L462-M519 HydrophobicContact CB-CG 4.39Å; L462-M519 HydrophobicContact CD1-CB 4.22Å; T463-M519 HydrophobicContact CG2-CE 3.48Å; T463-M519 VanDerWaalsContact CG2-CE 3.48Å; L466-M519 HydrophobicContact CD2-SD 3.7Å; T515-M519 VanDerWaalsContact O-CB 3.27Å; T515-M519 WeakPolarHBondContact O-CB 3.48Å; T515-M519 PolarHBondContact O-N 2.91Å; E517-M519 VanDerWaalsContact C-N 3.33Å; M519-A521 VanDerWaalsContact C-N 3.3Å; M519-A521 PolarHBondContact O-N 3.25Å; M519-L522 PolarHBondContact O-N 2.95Å; M519-V523 WeakPolarHBondContact O-CB 3.49Å; M519-V523 VanDerWaalsContact O-CG2 3.24Å; M519-V523 WeakPolarHBondContact O-CG2 3.2Å; M519-V523 PolarHBondContact O-N 3.26Å |
| 520 | R | 93.2 | Very high | 90.3 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 9% | 0.094 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -52.9 | -44.3 | 171 | 171.2 | -179.8 | -72 | -137.3 | -14.3 | 112.2 | Y397 A516 E517 L522 V523 D524 | Y397-R520 VanDerWaalsContact C-NH2 3.27Å; Y397-R520 HydrophobicContact CD1-CB 3.68Å; Y397-R520 HydrophobicContact CD1-CG 4Å; Y397-R520 HydrophobicContact CE1-CB 3.97Å; Y397-R520 VanDerWaalsContact O-CZ 3.22Å; Y397-R520 PolarHBondContact O-NH2 3.34Å; A516-R520 WeakPolarHBondContact O-CB 3.42Å; A516-R520 PolarHBondContact O-N 3.4Å; E517-R520 WeakPolarHBondContact O-CB 3.27Å; E517-R520 PolarHBondContact O-N 3.27Å; R520-L522 PolarHBondContact O-N 3.05Å; R520-V523 PolarHBondContact O-N 3.02Å; R520-D524 VanDerWaalsContact CG-OD2 3.23Å; R520-D524 WeakPolarHBondContact CG-OD2 3.46Å; R520-D524 VanDerWaalsContact O-CB 3.28Å; R520-D524 WeakPolarHBondContact O-CB 3.47Å; R520-D524 PolarHBondContact O-N 3.29Å |
| 521 | A | 88.9 | Confident | 90 | Very high | 52 Ų | 52 | 28.4 Ų | 28.4 | 43% | 0.43 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.2 | -40.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | E517 R518 M519 E525 | E517-A521 WeakPolarHBondContact O-CB 3.27Å; E517-A521 PolarHBondContact O-N 3.34Å; R518-A521 PolarHBondContact O-N 2.86Å; M519-A521 VanDerWaalsContact C-N 3.3Å; M519-A521 PolarHBondContact O-N 3.25Å; A521-E525 WeakPolarHBondContact O-CB 3.45Å; A521-E525 PolarHBondContact O-N 3.21Å; A521-E525 VanDerWaalsContact O-N 3.13Å |
| 522 | L | 87 | Confident | 89.9 | Confident | 28 Ų | 28 | 28.5 Ų | 28.5 | 15% | 0.147 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.9 | -42.2 | 173.5 | -66.4 | 174.4 | 0 | 0 | 0 | 111.7 | A458 L459 L462 R518 M519 R520 E525 A526 | A458-L522 HydrophobicContact CB-CD1 4.28Å; L459-L522 HydrophobicContact CB-CD1 4.09Å; L462-L522 HydrophobicContact CD1-CD1 3.91Å; R518-L522 PolarHBondContact O-N 2.85Å; M519-L522 PolarHBondContact O-N 2.95Å; R520-L522 PolarHBondContact O-N 3.05Å; L522-E525 WeakPolarHBondContact O-CB 3.44Å; L522-E525 PolarHBondContact O-N 3.44Å; L522-E525 VanDerWaalsContact O-N 3.09Å; L522-A526 PolarHBondContact O-N 2.76Å; L522-A526 VanDerWaalsContact O-N 3.09Å |
| 523 | V | 90.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 178.4 | 173 | 0 | 0 | 0 | 0 | 111.5 | I393 Y397 A445 L459 M519 R520 E525 A526 V527 | I393-V523 HydrophobicContact CB-CG1 4.14Å; I393-V523 HydrophobicContact CD1-CG1 3.49Å; I393-V523 VanDerWaalsContact CD1-CG1 3.49Å; I393-V523 HydrophobicContact CG1-CG1 3.47Å; I393-V523 VanDerWaalsContact CG1-CG1 3.47Å; I393-V523 HydrophobicContact CG2-CG1 3.61Å; Y397-V523 HydrophobicContact CD2-CG1 4.17Å; Y397-V523 HydrophobicContact CE2-CG1 4.02Å; A445-V523 HydrophobicContact CB-CG1 4.43Å; A445-V523 HydrophobicContact CB-CG2 4.13Å; L459-V523 HydrophobicContact CD1-CG2 3.83Å; L459-V523 HydrophobicContact CD2-CG2 3.68Å; L459-V523 HydrophobicContact CG-CG2 4.44Å; M519-V523 WeakPolarHBondContact O-CB 3.49Å; M519-V523 VanDerWaalsContact O-CG2 3.24Å; M519-V523 WeakPolarHBondContact O-CG2 3.2Å; M519-V523 PolarHBondContact O-N 3.26Å; R520-V523 PolarHBondContact O-N 3.02Å; V523-E525 PolarHBondContact O-N 3.2Å; V523-A526 PolarHBondContact O-N 3.02Å; V523-V527 WeakPolarHBondContact O-CG2 3.44Å |
| 524 | D | 87.9 | Confident | 89.6 | Confident | 16 Ų | 16 | 29.2 Ų | 29.2 | 9% | 0.086 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4.6 | 172 | -66.8 | -28.2 | 0 | 0 | 0 | 112.8 | R520 R572 R579 | R520-D524 VanDerWaalsContact CG-OD2 3.23Å; R520-D524 WeakPolarHBondContact CG-OD2 3.46Å; R520-D524 VanDerWaalsContact O-CB 3.28Å; R520-D524 WeakPolarHBondContact O-CB 3.47Å; R520-D524 PolarHBondContact O-N 3.29Å; D524-R572 IonicContact OD1-CZ 3.11Å; D524-R572 IonicContact OD1-NH1 2.74Å; D524-R572 PolarHBondContact OD1-NH1 2.77Å; D524-R572 IonicContact OD2-CZ 3.99Å; D524-R572 VanDerWaalsContact OD2-CZ 3.23Å; D524-R572 IonicContact OD2-NH1 3.94Å; D524-R572 PolarHBondContact OD2-NH1 3.1Å; D524-R572 IonicContact OD2-NH2 3.79Å; D524-R572 PolarHBondContact OD2-NH2 3.26Å; D524-R579 PolarHBondContact O-NH1 3.42Å; D524-R579 PolarHBondContact O-NH2 3.06Å |
| 525 | E | 81 | Confident | 89.6 | Confident | 61 Ų | 61 | 28 Ų | 28 | 29% | 0.285 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -28.4 | 171.3 | -170.2 | 175.9 | -147.2 | 0 | 0 | 111.6 | R455 A521 L522 V523 V527 | R455-E525 IonicContact CZ-OE1 3.71Å; R455-E525 IonicContact CZ-OE2 3.65Å; R455-E525 IonicContact NE-OE1 2.7Å; R455-E525 IonicContact NE-OE2 3.51Å; R455-E525 PolarHBondContact NE-OE2 3.34Å; R455-E525 VanDerWaalsContact NH2-CD 3.3Å; R455-E525 IonicContact NH2-OE1 2.74Å; R455-E525 PolarHBondContact NH2-OE1 3.08Å; R455-E525 IonicContact NH2-OE2 2.91Å; R455-E525 PolarHBondContact NH2-OE2 3.24Å; A521-E525 WeakPolarHBondContact O-CB 3.45Å; A521-E525 PolarHBondContact O-N 3.21Å; A521-E525 VanDerWaalsContact O-N 3.13Å; L522-E525 WeakPolarHBondContact O-CB 3.44Å; L522-E525 PolarHBondContact O-N 3.44Å; L522-E525 VanDerWaalsContact O-N 3.09Å; V523-E525 PolarHBondContact O-N 3.2Å; E525-V527 PolarHBondContact O-N 2.84Å; E525-V527 VanDerWaalsContact O-N 3.14Å |
| 526 | A | 79.3 | Confident | 89.7 | Confident | 5 Ų | 5 | 28 Ų | 28 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -70.6 | 0.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K449 L450 L522 V523 | K449-A526 VanDerWaalsContact CD-O 3.32Å; K449-A526 WeakPolarHBondContact CD-O 3.4Å; K449-A526 WeakPolarHBondContact CG-O 3.37Å; L450-A526 HydrophobicContact CD2-CB 3.64Å; L450-A526 HydrophobicContact CG-CB 3.95Å; L522-A526 PolarHBondContact O-N 2.76Å; L522-A526 VanDerWaalsContact O-N 3.09Å; V523-A526 PolarHBondContact O-N 3.02Å |
| 527 | V | 84.7 | Confident | 89.6 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 9% | 0.085 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -128.4 | 138.6 | -167.2 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | T390 I393 V523 E525 F532 | T390-V527 HydrophobicContact CG2-CG1 3.65Å; I393-V527 HydrophobicContact CD1-CG2 3.41Å; I393-V527 VanDerWaalsContact CD1-CG2 3.41Å; I393-V527 HydrophobicContact CG2-CG2 4.46Å; V523-V527 WeakPolarHBondContact O-CG2 3.44Å; E525-V527 PolarHBondContact O-N 2.84Å; E525-V527 VanDerWaalsContact O-N 3.14Å; V527-F532 HydrophobicContact CG1-CB 3.95Å; V527-F532 HydrophobicContact CG1-CD2 4.33Å |
| 528 | D | 85.3 | Confident | 89.5 | Confident | 75 Ų | 75 | 29.9 Ų | 29.9 | 40% | 0.401 | 17% | 0.169 | S | C | . | . | trans | -64.6 | 136.2 | 173.3 | 165.8 | -114.5 | 0 | 0 | 0 | 111.5 | N530 A531 F532 | D528-N530 PolarHBondContact O-N 2.82Å; D528-N530 WeakPolarHBondContact OD1-CA 3.3Å; D528-N530 WeakPolarHBondContact OD1-CB 3.03Å; D528-N530 PolarHBondContact OD1-N 2.84Å; D528-N530 VanDerWaalsContact OD1-N 3.08Å; D528-N530 PolarHBondContact OD2-N 3.43Å; D528-A531 HydrophobicContact CB-CB 4.08Å; D528-A531 PolarHBondContact O-N 3.18Å; D528-A531 WeakPolarHBondContact OD1-CB 3.06Å; D528-A531 PolarHBondContact OD1-N 3.06Å; D528-F532 WeakPolarHBondContact O-CB 3.47Å; D528-F532 PolarHBondContact O-N 3.45Å | ||
| 529 | A | 88.5 | Confident | 89.6 | Confident | 13 Ų | 13 | 26.5 Ų | 26.5 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I533 L576 E580 I645 | A529-I533 WeakPolarHBondContact O-CD1 3.29Å; A529-I533 WeakPolarHBondContact O-CG1 3.5Å; A529-I533 PolarHBondContact O-N 3.37Å; A529-I533 VanDerWaalsContact O-N 3.11Å; A529-L576 HydrophobicContact CB-CD1 4.21Å; A529-L576 HydrophobicContact CB-CD2 4.13Å; A529-L576 HydrophobicContact CB-CG 4.43Å; A529-E580 HydrophobicContact CB-CG 4.34Å; A529-I645 HydrophobicContact CB-CG2 4.34Å |
| 530 | N | 88.7 | Confident | 89.7 | Confident | 36 Ų | 36 | 26.4 Ų | 26.4 | 19% | 0.193 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.9 | -43.4 | 178.7 | -70.9 | -67.3 | 0 | 0 | 0 | 111.3 | D528 I533 A534 I645 S646 | D528-N530 PolarHBondContact O-N 2.82Å; D528-N530 WeakPolarHBondContact OD1-CA 3.3Å; D528-N530 WeakPolarHBondContact OD1-CB 3.03Å; D528-N530 PolarHBondContact OD1-N 2.84Å; D528-N530 VanDerWaalsContact OD1-N 3.08Å; D528-N530 PolarHBondContact OD2-N 3.43Å; N530-I533 PolarHBondContact O-N 2.83Å; N530-A534 WeakPolarHBondContact O-CB 3.43Å; N530-A534 PolarHBondContact O-N 2.71Å; N530-I645 PolarHBondContact ND2-O 2.79Å; N530-I645 WeakPolarHBondContact OD1-CB 3.46Å; N530-I645 WeakPolarHBondContact OD1-CG2 3.33Å; N530-S646 PolarHBondContact OD1-N 2.84Å |
| 531 | A | 89.7 | Confident | 89.9 | Confident | 37 Ų | 37 | 29.6 Ų | 29.6 | 31% | 0.306 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T390 D528 I533 A534 A535 | T390-A531 VanDerWaalsContact CG2-C 3.48Å; T390-A531 HydrophobicContact CG2-CB 3.93Å; T390-A531 WeakPolarHBondContact CG2-O 3.22Å; D528-A531 HydrophobicContact CB-CB 4.08Å; D528-A531 PolarHBondContact O-N 3.18Å; D528-A531 WeakPolarHBondContact OD1-CB 3.06Å; D528-A531 PolarHBondContact OD1-N 3.06Å; A531-I533 PolarHBondContact O-N 3.43Å; A531-A534 PolarHBondContact O-N 2.72Å; A531-A535 WeakPolarHBondContact O-CB 3.44Å; A531-A535 PolarHBondContact O-N 3.18Å |
| 532 | F | 92.3 | Very high | 90.1 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.3 | -176.5 | -86.4 | 0 | 0 | 0 | 111.8 | I393 A394 V527 D528 A534 A535 Q536 R572 L576 | I393-F532 HydrophobicContact CG2-CE2 4.2Å; A394-F532 HydrophobicContact CB-CD2 4.38Å; A394-F532 HydrophobicContact CB-CE2 4.32Å; V527-F532 HydrophobicContact CG1-CB 3.95Å; V527-F532 HydrophobicContact CG1-CD2 4.33Å; D528-F532 WeakPolarHBondContact O-CB 3.47Å; D528-F532 PolarHBondContact O-N 3.45Å; F532-A534 PolarHBondContact O-N 3.38Å; F532-A535 PolarHBondContact O-N 3.22Å; F532-Q536 HydrophobicContact CD1-CG 3.87Å; F532-Q536 HydrophobicContact CE1-CG 3.57Å; F532-Q536 HydrophobicContact CZ-CG 4.15Å; F532-Q536 VanDerWaalsContact CZ-NE2 3.34Å; F532-Q536 WeakPolarHBondContact O-CG 3.19Å; F532-Q536 PolarHBondContact O-N 3.22Å; F532-R572 HydrophobicContact CE1-CB 4.4Å; F532-R572 HydrophobicContact CZ-CB 4.43Å; F532-L576 HydrophobicContact CB-CD2 4.09Å; F532-L576 HydrophobicContact CD1-CD2 3.46Å; F532-L576 VanDerWaalsContact CD1-CD2 3.46Å; F532-L576 HydrophobicContact CE1-CD2 4.15Å; F532-L576 HydrophobicContact CG-CD2 4.03Å |
| 533 | I | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | -179.6 | -63.7 | 167.5 | 0 | 0 | 0 | 110.9 | A529 N530 A531 Q536 E537 V573 L576 I577 I638 I641 K642 I645 | A529-I533 WeakPolarHBondContact O-CD1 3.29Å; A529-I533 WeakPolarHBondContact O-CG1 3.5Å; A529-I533 PolarHBondContact O-N 3.37Å; A529-I533 VanDerWaalsContact O-N 3.11Å; N530-I533 PolarHBondContact O-N 2.83Å; A531-I533 PolarHBondContact O-N 3.43Å; I533-Q536 PolarHBondContact O-N 3.1Å; I533-E537 WeakPolarHBondContact O-CB 3.35Å; I533-E537 PolarHBondContact O-N 3.37Å; I533-V573 HydrophobicContact CD1-CG1 4.45Å; I533-V573 HydrophobicContact CG1-CG1 4.26Å; I533-V573 HydrophobicContact CG1-CG2 4.46Å; I533-V573 HydrophobicContact CG2-CG1 4.18Å; I533-V573 HydrophobicContact CG2-CG2 4.31Å; I533-L576 HydrophobicContact CD1-CD2 3.94Å; I533-L576 HydrophobicContact CG1-CD2 3.7Å; I533-I577 HydrophobicContact CD1-CG2 3.74Å; I533-I638 HydrophobicContact CG2-CG2 4.04Å; I533-I641 HydrophobicContact CD1-CG2 4.06Å; I533-I641 HydrophobicContact CG2-CG2 4.44Å; I533-K642 HydrophobicContact CB-CG 4.32Å; I533-K642 HydrophobicContact CG2-CD 4.15Å; I533-K642 HydrophobicContact CG2-CG 3.52Å; I533-I645 HydrophobicContact CD1-CD1 3.37Å |
| 534 | A | 92.7 | Very high | 90.8 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 22% | 0.223 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N530 A531 F532 E537 I538 | N530-A534 WeakPolarHBondContact O-CB 3.43Å; N530-A534 PolarHBondContact O-N 2.71Å; A531-A534 PolarHBondContact O-N 2.72Å; F532-A534 PolarHBondContact O-N 3.38Å; A534-E537 PolarHBondContact O-N 3.43Å; A534-I538 VanDerWaalsContact O-CG1 3.29Å; A534-I538 WeakPolarHBondContact O-CG1 3.27Å; A534-I538 PolarHBondContact O-N 3.1Å |
| 535 | A | 92.3 | Very high | 91.1 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T390 A394 A531 F532 G539 | T390-A535 HydrophobicContact CG2-CB 4.04Å; A394-A535 HydrophobicContact CB-CB 3.73Å; A531-A535 WeakPolarHBondContact O-CB 3.44Å; A531-A535 PolarHBondContact O-N 3.18Å; F532-A535 PolarHBondContact O-N 3.22Å; A535-G539 PolarHBondContact O-N 3.25Å |
| 536 | Q | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 173.1 | -68.5 | -60.7 | -8.3 | 0 | 0 | 112.1 | A394 F532 I533 I538 G539 M540 V573 | A394-Q536 HydrophobicContact CB-CG 4.39Å; A394-Q536 PolarHBondContact O-NE2 3.08Å; F532-Q536 HydrophobicContact CD1-CG 3.87Å; F532-Q536 HydrophobicContact CE1-CG 3.57Å; F532-Q536 HydrophobicContact CZ-CG 4.15Å; F532-Q536 VanDerWaalsContact CZ-NE2 3.34Å; F532-Q536 WeakPolarHBondContact O-CG 3.19Å; F532-Q536 PolarHBondContact O-N 3.22Å; I533-Q536 PolarHBondContact O-N 3.1Å; Q536-I538 PolarHBondContact O-N 3.25Å; Q536-G539 CarbonylContact O-C 3.51Å; Q536-G539 WeakPolarHBondContact O-CA 3.32Å; Q536-G539 PolarHBondContact O-N 2.7Å; Q536-M540 WeakPolarHBondContact O-CG 3.48Å; Q536-M540 PolarHBondContact O-N 2.74Å; Q536-V573 HydrophobicContact CB-CG2 3.76Å; Q536-V573 HydrophobicContact CG-CG2 4.1Å |
| 537 | E | 94.7 | Very high | 92.5 | Very high | 30 Ų | 30 | 31.8 Ų | 31.8 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 176.1 | -175.9 | -174.7 | -132 | 0 | 0 | 111.8 | I533 A534 G539 M540 L541 I638 K642 | I533-E537 WeakPolarHBondContact O-CB 3.35Å; I533-E537 PolarHBondContact O-N 3.37Å; A534-E537 PolarHBondContact O-N 3.43Å; E537-G539 VanDerWaalsContact C-N 3.34Å; E537-G539 PolarHBondContact O-N 3.48Å; E537-M540 PolarHBondContact O-N 3.02Å; E537-M540 VanDerWaalsContact O-N 3.15Å; E537-L541 HydrophobicContact CG-CD1 4.47Å; E537-L541 WeakPolarHBondContact O-CG 3.4Å; E537-L541 PolarHBondContact O-N 2.92Å; E537-I638 HydrophobicContact CB-CG2 4.06Å; E537-I638 HydrophobicContact CG-CG2 4.26Å; E537-K642 IonicContact OE1-NZ 3.73Å; E537-K642 WeakPolarHBondContact OE2-CD 3.49Å; E537-K642 IonicContact OE2-NZ 2.88Å; E537-K642 PolarHBondContact OE2-NZ 2.99Å |
| 538 | I | 92.1 | Very high | 93 | Very high | 111 Ų | 111 | 33.9 Ų | 33.9 | 57% | 0.569 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -60 | -44.3 | 174.3 | -68 | 164.2 | 0 | 0 | 0 | 110.8 | A534 Q536 M540 L541 R542 | A534-I538 VanDerWaalsContact O-CG1 3.29Å; A534-I538 WeakPolarHBondContact O-CG1 3.27Å; A534-I538 PolarHBondContact O-N 3.1Å; Q536-I538 PolarHBondContact O-N 3.25Å; I538-M540 VanDerWaalsContact C-N 3.3Å; I538-M540 PolarHBondContact O-N 2.76Å; I538-L541 PolarHBondContact O-N 2.62Å; I538-R542 PolarHBondContact O-N 3.4Å |
| 539 | G | 91.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | A535 Q536 E537 R542 D543 | A535-G539 PolarHBondContact O-N 3.25Å; Q536-G539 CarbonylContact O-C 3.51Å; Q536-G539 WeakPolarHBondContact O-CA 3.32Å; Q536-G539 PolarHBondContact O-N 2.7Å; E537-G539 VanDerWaalsContact C-N 3.34Å; E537-G539 PolarHBondContact O-N 3.48Å; G539-R542 PolarHBondContact O-N 2.91Å; G539-D543 WeakPolarHBondContact O-CB 3.47Å; G539-D543 VanDerWaalsContact O-CG 3.32Å; G539-D543 PolarHBondContact O-N 3.09Å; G539-D543 VanDerWaalsContact O-OD2 3.12Å |
| 540 | M | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.2 | -33.5 | 179.3 | -68.1 | 170.1 | 72.1 | 0 | 0 | 112.9 | Q536 E537 I538 S544 I566 R569 A570 L634 L635 I638 | Q536-M540 WeakPolarHBondContact O-CG 3.48Å; Q536-M540 PolarHBondContact O-N 2.74Å; E537-M540 PolarHBondContact O-N 3.02Å; E537-M540 VanDerWaalsContact O-N 3.15Å; I538-M540 VanDerWaalsContact C-N 3.3Å; I538-M540 PolarHBondContact O-N 2.76Å; M540-S544 VanDerWaalsContact O-CB 3.32Å; M540-S544 WeakPolarHBondContact O-CB 3.45Å; M540-S544 PolarHBondContact O-N 2.7Å; M540-S544 PolarHBondContact O-OG 3.3Å; M540-I566 HydrophobicContact CE-CG2 3.66Å; M540-R569 HydrophobicContact CE-CB 4.5Å; M540-R569 HydrophobicContact CG-CB 3.37Å; M540-R569 VanDerWaalsContact CG-CD 3.42Å; M540-R569 HydrophobicContact CG-CG 4.03Å; M540-R569 HydrophobicContact SD-CB 3.51Å; M540-R569 VanDerWaalsContact SD-CB 3.51Å; M540-A570 HydrophobicContact CE-CB 3.81Å; M540-L634 HydrophobicContact CE-CD2 3.29Å; M540-L635 HydrophobicContact CB-CD2 3.99Å; M540-I638 HydrophobicContact CE-CD1 3.35Å; M540-I638 HydrophobicContact SD-CD1 3.42Å; M540-I638 WeakPolarHBondContact SD-CD1 3.45Å |
| 541 | L | 95.9 | Very high | 94 | Very high | 91 Ų | 91 | 33.2 Ų | 33.2 | 48% | 0.476 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 170.4 | -70.8 | 167.8 | 0 | 0 | 0 | 111.1 | E537 I538 S544 A545 L635 | E537-L541 HydrophobicContact CG-CD1 4.47Å; E537-L541 WeakPolarHBondContact O-CG 3.4Å; E537-L541 PolarHBondContact O-N 2.92Å; I538-L541 PolarHBondContact O-N 2.62Å; L541-S544 WeakPolarHBondContact O-CB 3.37Å; L541-S544 PolarHBondContact O-N 3.33Å; L541-A545 PolarHBondContact O-N 3.47Å; L541-L635 HydrophobicContact CD2-CD1 3.87Å; L541-L635 HydrophobicContact CD2-CD2 4.27Å; L541-L635 HydrophobicContact CG-CD2 4.43Å |
| 542 | R | 94.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 174.6 | -171.3 | -176.1 | 62.1 | -157.1 | -15.9 | 112.2 | E395 I538 G539 S544 A545 R546 | E395-R542 IonicContact OE1-CZ 2.78Å; E395-R542 IonicContact OE1-NH1 3.69Å; E395-R542 PolarHBondContact OE1-NH1 3.13Å; E395-R542 IonicContact OE1-NH2 3.35Å; E395-R542 PolarHBondContact OE1-NH2 3.03Å; I538-R542 PolarHBondContact O-N 3.4Å; G539-R542 PolarHBondContact O-N 2.91Å; R542-S544 VanDerWaalsContact C-N 3.29Å; R542-S544 PolarHBondContact O-N 3.02Å; R542-A545 PolarHBondContact O-N 2.87Å; R542-R546 WeakPolarHBondContact O-CG 3.41Å; R542-R546 PolarHBondContact O-N 3.27Å |
| 543 | D | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.9 | -29.6 | 175.9 | -69.5 | -41.6 | 0 | 0 | 0 | 111.6 | G539 R546 T547 R565 I566 R569 | G539-D543 WeakPolarHBondContact O-CB 3.47Å; G539-D543 VanDerWaalsContact O-CG 3.32Å; G539-D543 PolarHBondContact O-N 3.09Å; G539-D543 VanDerWaalsContact O-OD2 3.12Å; D543-R546 PolarHBondContact O-N 3.36Å; D543-T547 PolarHBondContact O-N 3.44Å; D543-T547 PolarHBondContact O-OG1 3.31Å; D543-R565 HydrophobicContact CB-CB 4.2Å; D543-R565 WeakPolarHBondContact OD1-CD 3.44Å; D543-R565 WeakPolarHBondContact OD2-CB 3.38Å; D543-I566 HydrophobicContact CB-CG1 3.75Å; D543-R569 IonicContact OD2-CZ 2.65Å; D543-R569 IonicContact OD2-NE 3.25Å; D543-R569 PolarHBondContact OD2-NE 3.46Å; D543-R569 IonicContact OD2-NH2 3.79Å |
| 544 | S | 96.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 170.4 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | M540 L541 R542 R546 T547 E548 N631 | M540-S544 VanDerWaalsContact O-CB 3.32Å; M540-S544 WeakPolarHBondContact O-CB 3.45Å; M540-S544 PolarHBondContact O-N 2.7Å; M540-S544 PolarHBondContact O-OG 3.3Å; L541-S544 WeakPolarHBondContact O-CB 3.37Å; L541-S544 PolarHBondContact O-N 3.33Å; R542-S544 VanDerWaalsContact C-N 3.29Å; R542-S544 PolarHBondContact O-N 3.02Å; S544-R546 VanDerWaalsContact C-N 3.32Å; S544-R546 PolarHBondContact O-N 3.45Å; S544-T547 WeakPolarHBondContact O-CA 3.49Å; S544-T547 VanDerWaalsContact O-CB 3.29Å; S544-T547 WeakPolarHBondContact O-CB 3.4Å; S544-T547 PolarHBondContact O-N 2.85Å; S544-E548 PolarHBondContact O-N 2.84Å; S544-N631 WeakPolarHBondContact CB-ND2 3.31Å; S544-N631 PolarHBondContact OG-ND2 3.49Å |
| 545 | A | 95.7 | Very high | 94.1 | Very high | 34 Ų | 34 | 44.1 Ų | 44.1 | 28% | 0.281 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L541 R542 T547 E548 N549 | L541-A545 PolarHBondContact O-N 3.47Å; R542-A545 PolarHBondContact O-N 2.87Å; A545-T547 VanDerWaalsContact C-N 3.28Å; A545-T547 PolarHBondContact O-N 3.47Å; A545-E548 PolarHBondContact O-N 3.2Å; A545-N549 WeakPolarHBondContact O-CB 3.3Å; A545-N549 VanDerWaalsContact O-CG 3.3Å; A545-N549 PolarHBondContact O-N 3.41Å |
| 546 | R | 94.6 | Very high | 94.2 | Very high | 80 Ų | 80 | 46 Ų | 46 | 30% | 0.302 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.4 | -33.9 | 169.9 | -69.9 | 175 | -179.2 | -91 | -3.8 | 112.1 | D320 R542 D543 S544 S550 | D320-R546 IonicContact OD2-CZ 2.76Å; D320-R546 IonicContact OD2-NH1 2.79Å; D320-R546 PolarHBondContact OD2-NH1 3.45Å; D320-R546 IonicContact OD2-NH2 3.61Å; D320-R546 PolarHBondContact OD2-NH2 2.99Å; R542-R546 WeakPolarHBondContact O-CG 3.41Å; R542-R546 PolarHBondContact O-N 3.27Å; D543-R546 PolarHBondContact O-N 3.36Å; S544-R546 VanDerWaalsContact C-N 3.32Å; S544-R546 PolarHBondContact O-N 3.45Å; R546-S550 WeakPolarHBondContact O-CB 3.4Å; R546-S550 PolarHBondContact O-N 3.07Å; R546-S550 PolarHBondContact O-OG 3.29Å |
| 547 | T | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.5 | -50.4 | 174.4 | -44 | 0 | 0 | 0 | 0 | 110.9 | D543 S544 A545 N549 S550 I551 V559 S562 T563 W627 | D543-T547 PolarHBondContact O-N 3.44Å; D543-T547 PolarHBondContact O-OG1 3.31Å; S544-T547 WeakPolarHBondContact O-CA 3.49Å; S544-T547 VanDerWaalsContact O-CB 3.29Å; S544-T547 WeakPolarHBondContact O-CB 3.4Å; S544-T547 PolarHBondContact O-N 2.85Å; A545-T547 VanDerWaalsContact C-N 3.28Å; A545-T547 PolarHBondContact O-N 3.47Å; T547-N549 VanDerWaalsContact C-N 3.34Å; T547-N549 PolarHBondContact O-N 2.95Å; T547-S550 CarbonylContact O-C 3.57Å; T547-S550 WeakPolarHBondContact O-CA 3.25Å; T547-S550 WeakPolarHBondContact O-CB 3.46Å; T547-S550 PolarHBondContact O-N 3.23Å; T547-I551 HydrophobicContact CG2-CD1 4.44Å; T547-I551 WeakPolarHBondContact O-CG1 3.39Å; T547-I551 PolarHBondContact O-N 2.98Å; T547-V559 HydrophobicContact CG2-CG1 4.28Å; T547-V559 HydrophobicContact CG2-CG2 4.36Å; T547-S562 WeakPolarHBondContact CA-OG 3.4Å; T547-S562 WeakPolarHBondContact OG1-CB 3.45Å; T547-S562 PolarHBondContact OG1-OG 3.4Å; T547-T563 HydrophobicContact CG2-CG2 3.71Å; T547-W627 VanDerWaalsContact CB-CH2 3.44Å; T547-W627 HydrophobicContact CG2-CD2 4.38Å; T547-W627 HydrophobicContact CG2-CE3 4.35Å; T547-W627 HydrophobicContact CG2-CH2 3.58Å; T547-W627 HydrophobicContact CG2-CZ2 3.59Å; T547-W627 HydrophobicContact CG2-CZ3 3.97Å |
| 548 | E | 95 | Very high | 94 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.8 | -43.5 | 177.5 | -69 | -71.1 | 177.4 | 0 | 0 | 112.3 | S544 A545 S550 I551 A552 W627 R628 | S544-E548 PolarHBondContact O-N 2.84Å; A545-E548 PolarHBondContact O-N 3.2Å; E548-S550 VanDerWaalsContact C-N 3.27Å; E548-S550 PolarHBondContact O-N 2.96Å; E548-I551 PolarHBondContact O-N 3.33Å; E548-A552 PolarHBondContact O-N 3.31Å; E548-W627 HydrophobicContact CG-CZ3 4.41Å; E548-R628 WeakPolarHBondContact OE1-CD 3.43Å; E548-R628 WeakPolarHBondContact OE1-CG 3.33Å; E548-R628 IonicContact OE1-CZ 3.03Å; E548-R628 IonicContact OE1-NE 2.6Å; E548-R628 PolarHBondContact OE1-NE 3.44Å; E548-R628 IonicContact OE1-NH2 2.62Å; E548-R628 IonicContact OE2-CZ 3.74Å; E548-R628 IonicContact OE2-NE 3.89Å; E548-R628 PolarHBondContact OE2-NE 3.44Å; E548-R628 IonicContact OE2-NH2 3.66Å; E548-R628 PolarHBondContact OE2-NH2 2.51Å |
| 549 | N | 94.7 | Very high | 94.1 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -34.4 | 173.5 | -71.6 | -3.2 | 0 | 0 | 0 | 112.2 | A545 T547 A553 | A545-N549 WeakPolarHBondContact O-CB 3.3Å; A545-N549 VanDerWaalsContact O-CG 3.3Å; A545-N549 PolarHBondContact O-N 3.41Å; T547-N549 VanDerWaalsContact C-N 3.34Å; T547-N549 PolarHBondContact O-N 2.95Å; N549-A553 VanDerWaalsContact O-CB 3.28Å; N549-A553 WeakPolarHBondContact O-CB 3.47Å; N549-A553 PolarHBondContact O-N 2.9Å |
| 550 | S | 94.7 | Very high | 94.3 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.1 | -35.3 | 175.9 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | R546 T547 E548 A553 I554 S555 G558 | R546-S550 WeakPolarHBondContact O-CB 3.4Å; R546-S550 PolarHBondContact O-N 3.07Å; R546-S550 PolarHBondContact O-OG 3.29Å; T547-S550 CarbonylContact O-C 3.57Å; T547-S550 WeakPolarHBondContact O-CA 3.25Å; T547-S550 WeakPolarHBondContact O-CB 3.46Å; T547-S550 PolarHBondContact O-N 3.23Å; E548-S550 VanDerWaalsContact C-N 3.27Å; E548-S550 PolarHBondContact O-N 2.96Å; S550-A553 CarbonylContact O-C 3.57Å; S550-A553 PolarHBondContact O-N 3.38Å; S550-I554 PolarHBondContact O-N 3.35Å; S550-I554 VanDerWaalsContact O-N 3.1Å; S550-S555 PolarHBondContact O-N 2.97Å; S550-G558 WeakPolarHBondContact OG-CA 3.46Å |
| 551 | I | 92.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.046 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 171.6 | -62.7 | 169.4 | 0 | 0 | 0 | 109.7 | T547 E548 A553 I554 V559 L614 H624 W627 | T547-I551 HydrophobicContact CG2-CD1 4.44Å; T547-I551 WeakPolarHBondContact O-CG1 3.39Å; T547-I551 PolarHBondContact O-N 2.98Å; E548-I551 PolarHBondContact O-N 3.33Å; I551-A553 PolarHBondContact O-N 3.25Å; I551-I554 PolarHBondContact O-N 2.97Å; I551-V559 HydrophobicContact CG1-CG2 3.99Å; I551-L614 HydrophobicContact CD1-CD1 4.15Å; I551-L614 HydrophobicContact CD1-CD2 3.65Å; I551-L614 HydrophobicContact CD1-CG 4.49Å; I551-L614 HydrophobicContact CG1-CD1 4.14Å; I551-L614 HydrophobicContact CG1-CD2 3.85Å; I551-L614 HydrophobicContact CG1-CG 4.39Å; I551-H624 WeakPolarHBondContact CG2-CE1 3.32Å; I551-H624 WeakPolarHBondContact CG2-NE2 3.38Å; I551-W627 HydrophobicContact CD1-CE3 4.22Å; I551-W627 HydrophobicContact CD1-CZ3 4.43Å |
| 552 | A | 93.3 | Very high | 94 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 72% | 0.719 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.4 | -28.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E548 | E548-A552 PolarHBondContact O-N 3.31Å |
| 553 | A | 93.5 | Very high | 94.1 | Very high | 71 Ų | 71 | 45.3 Ų | 45.3 | 59% | 0.587 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N549 S550 I551 S555 | N549-A553 VanDerWaalsContact O-CB 3.28Å; N549-A553 WeakPolarHBondContact O-CB 3.47Å; N549-A553 PolarHBondContact O-N 2.9Å; S550-A553 CarbonylContact O-C 3.57Å; S550-A553 PolarHBondContact O-N 3.38Å; I551-A553 PolarHBondContact O-N 3.25Å; A553-S555 PolarHBondContact O-N 3.08Å |
| 554 | I | 91.5 | Very high | 94.1 | Very high | 100 Ų | 100 | 47.8 Ų | 47.8 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 35.8 | -177.4 | -38.9 | -176.5 | 0 | 0 | 0 | 111.9 | S550 I551 I618 | S550-I554 PolarHBondContact O-N 3.35Å; S550-I554 VanDerWaalsContact O-N 3.1Å; I551-I554 PolarHBondContact O-N 2.97Å; I554-I618 HydrophobicContact CG2-CD1 4.46Å; I554-I618 HydrophobicContact CG2-CG1 4.39Å; I554-I618 HydrophobicContact CG2-CG2 3.57Å |
| 555 | S | 93.7 | Very high | 94.1 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 28% | 0.28 | 30% | 0.302 | S | S | . | . | trans | -99.5 | 93.9 | -175.9 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | S550 A553 T557 G558 V559 | S550-S555 PolarHBondContact O-N 2.97Å; A553-S555 PolarHBondContact O-N 3.08Å; S555-T557 VanDerWaalsContact C-N 3.33Å; S555-T557 PolarHBondContact O-N 3.2Å; S555-G558 PolarHBondContact O-N 2.75Å; S555-G558 PolarHBondContact OG-N 3.1Å; S555-V559 WeakPolarHBondContact O-CG2 3.46Å; S555-V559 PolarHBondContact O-N 2.77Å | ||
| 556 | T | 92.9 | Very high | 94.1 | Very high | 57 Ų | 57 | 50 Ų | 50 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 178.7 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | V559 V560 V615 I618 | T556-V559 PolarHBondContact O-N 2.87Å; T556-V560 WeakPolarHBondContact O-CG2 3.3Å; T556-V560 PolarHBondContact O-N 3.28Å; T556-V615 HydrophobicContact CG2-CG1 4.48Å; T556-I618 HydrophobicContact CG2-CB 4.36Å; T556-I618 HydrophobicContact CG2-CD1 3.94Å; T556-I618 HydrophobicContact CG2-CG2 4.23Å |
| 557 | T | 93 | Very high | 94.2 | Very high | 94 Ų | 94 | 46.6 Ų | 46.6 | 58% | 0.577 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.5 | -43.5 | 174.7 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | S555 V559 V560 E561 | S555-T557 VanDerWaalsContact C-N 3.33Å; S555-T557 PolarHBondContact O-N 3.2Å; T557-V559 VanDerWaalsContact C-N 3.31Å; T557-V559 PolarHBondContact O-N 3.26Å; T557-V560 PolarHBondContact O-N 2.97Å; T557-E561 PolarHBondContact O-N 3.4Å |
| 558 | G | 92.6 | Very high | 94.3 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -40.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S550 S555 S562 | S550-G558 WeakPolarHBondContact OG-CA 3.46Å; S555-G558 PolarHBondContact O-N 2.75Å; S555-G558 PolarHBondContact OG-N 3.1Å; G558-S562 WeakPolarHBondContact O-CB 3.24Å; G558-S562 PolarHBondContact O-N 2.78Å; G558-S562 PolarHBondContact O-OG 3.11Å |
| 559 | V | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | T547 I551 S555 T556 T557 S562 T563 L614 V615 I618 | T547-V559 HydrophobicContact CG2-CG1 4.28Å; T547-V559 HydrophobicContact CG2-CG2 4.36Å; I551-V559 HydrophobicContact CG1-CG2 3.99Å; S555-V559 WeakPolarHBondContact O-CG2 3.46Å; S555-V559 PolarHBondContact O-N 2.77Å; T556-V559 PolarHBondContact O-N 2.87Å; T557-V559 VanDerWaalsContact C-N 3.31Å; T557-V559 PolarHBondContact O-N 3.26Å; V559-S562 PolarHBondContact O-OG 2.89Å; V559-T563 HydrophobicContact CG1-CG2 4.38Å; V559-T563 WeakPolarHBondContact O-CB 3.39Å; V559-T563 VanDerWaalsContact O-CG2 3.31Å; V559-T563 WeakPolarHBondContact O-CG2 3.43Å; V559-T563 PolarHBondContact O-N 2.98Å; V559-T563 PolarHBondContact O-OG1 3.17Å; V559-L614 HydrophobicContact CG1-CD2 3.63Å; V559-L614 HydrophobicContact CG1-CG 4.07Å; V559-L614 HydrophobicContact CG2-CD2 4.33Å; V559-V615 HydrophobicContact CB-CG2 4.2Å; V559-V615 HydrophobicContact CG1-CG2 3.8Å; V559-I618 HydrophobicContact CG2-CD1 4.19Å |
| 560 | V | 94.8 | Very high | 94.5 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 177.7 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | T556 T557 T563 T564 V615 | T556-V560 WeakPolarHBondContact O-CG2 3.3Å; T556-V560 PolarHBondContact O-N 3.28Å; T557-V560 PolarHBondContact O-N 2.97Å; V560-T563 PolarHBondContact O-OG1 2.97Å; V560-T564 WeakPolarHBondContact O-CB 3.48Å; V560-T564 PolarHBondContact O-N 3.18Å; V560-T564 PolarHBondContact O-OG1 3.15Å; V560-V615 HydrophobicContact CG2-CG1 4.39Å; V560-V615 HydrophobicContact CG2-CG2 3.61Å |
| 561 | E | 92.1 | Very high | 94.5 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 51% | 0.514 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | -178.1 | -77.4 | -171.6 | -142.1 | 0 | 0 | 112.7 | T557 T564 R565 | T557-E561 PolarHBondContact O-N 3.4Å; E561-T564 PolarHBondContact O-N 2.77Å; E561-R565 WeakPolarHBondContact O-CG 3.44Å; E561-R565 PolarHBondContact O-N 2.81Å; E561-R565 IonicContact OE2-NH2 2.69Å |
| 562 | S | 93.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -46.7 | -177.6 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | T547 G558 V559 T564 R565 I566 | T547-S562 WeakPolarHBondContact CA-OG 3.4Å; T547-S562 WeakPolarHBondContact OG1-CB 3.45Å; T547-S562 PolarHBondContact OG1-OG 3.4Å; G558-S562 WeakPolarHBondContact O-CB 3.24Å; G558-S562 PolarHBondContact O-N 2.78Å; G558-S562 PolarHBondContact O-OG 3.11Å; V559-S562 PolarHBondContact O-OG 2.89Å; S562-T564 VanDerWaalsContact C-N 3.31Å; S562-T564 PolarHBondContact O-N 2.71Å; S562-R565 WeakPolarHBondContact O-CA 3.46Å; S562-R565 WeakPolarHBondContact O-CB 3.41Å; S562-R565 PolarHBondContact O-N 3.17Å; S562-I566 WeakPolarHBondContact O-CG1 3.32Å; S562-I566 PolarHBondContact O-N 2.81Å |
| 563 | T | 96.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -32.4 | 175.6 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | T547 V559 V560 I566 A567 M607 A611 W627 | T547-T563 HydrophobicContact CG2-CG2 3.71Å; V559-T563 HydrophobicContact CG1-CG2 4.38Å; V559-T563 WeakPolarHBondContact O-CB 3.39Å; V559-T563 VanDerWaalsContact O-CG2 3.31Å; V559-T563 WeakPolarHBondContact O-CG2 3.43Å; V559-T563 PolarHBondContact O-N 2.98Å; V559-T563 PolarHBondContact O-OG1 3.17Å; V560-T563 PolarHBondContact O-OG1 2.97Å; T563-I566 PolarHBondContact O-N 3.12Å; T563-A567 WeakPolarHBondContact O-CB 3.34Å; T563-A567 PolarHBondContact O-N 3.25Å; T563-M607 HydrophobicContact CG2-SD 4.46Å; T563-A611 HydrophobicContact CG2-CB 3.77Å; T563-W627 HydrophobicContact CG2-CZ2 3.99Å |
| 564 | T | 95.6 | Very high | 94.7 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69 | -30.7 | 171.5 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | V560 E561 S562 R568 | V560-T564 WeakPolarHBondContact O-CB 3.48Å; V560-T564 PolarHBondContact O-N 3.18Å; V560-T564 PolarHBondContact O-OG1 3.15Å; E561-T564 PolarHBondContact O-N 2.77Å; S562-T564 VanDerWaalsContact C-N 3.31Å; S562-T564 PolarHBondContact O-N 2.71Å; T564-R568 WeakPolarHBondContact O-CB 3.48Å; T564-R568 VanDerWaalsContact O-CG 3.3Å; T564-R568 WeakPolarHBondContact O-CG 3.48Å; T564-R568 PolarHBondContact O-N 2.86Å; T564-R568 VanDerWaalsContact O-N 3.14Å; T564-R568 PolarHBondContact O-NE 3.13Å; T564-R568 VanDerWaalsContact O-NE 3.09Å |
| 565 | R | 94.9 | Very high | 94.7 | Very high | 93 Ų | 93 | 37.6 Ų | 37.6 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.3 | -49.2 | 168.9 | -66.9 | 165.8 | -168.1 | -136.2 | 3.3 | 110.6 | D543 E561 S562 A567 R568 R569 | D543-R565 HydrophobicContact CB-CB 4.2Å; D543-R565 WeakPolarHBondContact OD1-CD 3.44Å; D543-R565 WeakPolarHBondContact OD2-CB 3.38Å; E561-R565 WeakPolarHBondContact O-CG 3.44Å; E561-R565 PolarHBondContact O-N 2.81Å; E561-R565 IonicContact OE2-NH2 2.69Å; S562-R565 WeakPolarHBondContact O-CA 3.46Å; S562-R565 WeakPolarHBondContact O-CB 3.41Å; S562-R565 PolarHBondContact O-N 3.17Å; R565-A567 VanDerWaalsContact C-N 3.34Å; R565-A567 PolarHBondContact O-N 3.11Å; R565-R568 PolarHBondContact O-N 2.74Å; R565-R568 VanDerWaalsContact O-N 3.13Å; R565-R569 WeakPolarHBondContact O-CG 3.36Å; R565-R569 PolarHBondContact O-N 3.34Å |
| 566 | I | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54 | -49.4 | 176.1 | -60.6 | 169.8 | 0 | 0 | 0 | 110.7 | M540 D543 S562 T563 R568 R569 A570 M607 W627 L634 | M540-I566 HydrophobicContact CE-CG2 3.66Å; D543-I566 HydrophobicContact CB-CG1 3.75Å; S562-I566 WeakPolarHBondContact O-CG1 3.32Å; S562-I566 PolarHBondContact O-N 2.81Å; T563-I566 PolarHBondContact O-N 3.12Å; I566-R568 PolarHBondContact O-N 3.07Å; I566-R569 PolarHBondContact O-N 2.7Å; I566-A570 WeakPolarHBondContact O-CB 3.17Å; I566-A570 PolarHBondContact O-N 3.44Å; I566-M607 HydrophobicContact CB-CE 4.15Å; I566-M607 HydrophobicContact CG2-CE 3.78Å; I566-M607 HydrophobicContact CG2-SD 4.49Å; I566-W627 HydrophobicContact CD1-CZ2 4Å; I566-L634 HydrophobicContact CG2-CD2 3.99Å |
| 567 | A | 97 | Very high | 94.6 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T563 R565 N571 M607 V608 | T563-A567 WeakPolarHBondContact O-CB 3.34Å; T563-A567 PolarHBondContact O-N 3.25Å; R565-A567 VanDerWaalsContact C-N 3.34Å; R565-A567 PolarHBondContact O-N 3.11Å; A567-N571 PolarHBondContact O-N 3.03Å; A567-N571 VanDerWaalsContact O-N 3.07Å; A567-N571 PolarHBondContact O-ND2 3.41Å; A567-M607 HydrophobicContact CB-CE 4.07Å; A567-V608 HydrophobicContact CB-CG2 3.87Å |
| 568 | R | 96 | Very high | 94.6 | Very high | 62 Ų | 62 | 31.1 Ų | 31.1 | 23% | 0.234 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.9 | -40.1 | 177.7 | -73.8 | 179.1 | -66 | -177.6 | 7.7 | 112.5 | T398 D399 T564 R565 I566 N571 R572 | T398-R568 HydrophobicContact CG2-CB 3.88Å; D399-R568 IonicContact OD1-NH1 3.42Å; D399-R568 PolarHBondContact OD1-NH1 3.06Å; D399-R568 IonicContact OD2-CZ 2.65Å; D399-R568 IonicContact OD2-NH1 3.21Å; D399-R568 PolarHBondContact OD2-NH1 3.29Å; T564-R568 WeakPolarHBondContact O-CB 3.48Å; T564-R568 VanDerWaalsContact O-CG 3.3Å; T564-R568 WeakPolarHBondContact O-CG 3.48Å; T564-R568 PolarHBondContact O-N 2.86Å; T564-R568 VanDerWaalsContact O-N 3.14Å; T564-R568 PolarHBondContact O-NE 3.13Å; T564-R568 VanDerWaalsContact O-NE 3.09Å; R565-R568 PolarHBondContact O-N 2.74Å; R565-R568 VanDerWaalsContact O-N 3.13Å; I566-R568 PolarHBondContact O-N 3.07Å; R568-N571 PolarHBondContact O-N 3Å; R568-R572 VanDerWaalsContact O-CG 3.28Å; R568-R572 WeakPolarHBondContact O-CG 3.31Å; R568-R572 PolarHBondContact O-N 3.03Å |
| 569 | R | 96.4 | Very high | 94.5 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 5% | 0.053 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.1 | -66.2 | -173 | -179.4 | -76.8 | 0.4 | 112.1 | A394 T398 M540 D543 R565 I566 N571 R572 V573 | A394-R569 PolarHBondContact O-NH1 3.13Å; A394-R569 VanDerWaalsContact O-NH1 3.09Å; T398-R569 HydrophobicContact CG2-CG 3.94Å; T398-R569 PolarHBondContact OG1-NH1 2.73Å; M540-R569 HydrophobicContact CE-CB 4.5Å; M540-R569 HydrophobicContact CG-CB 3.37Å; M540-R569 VanDerWaalsContact CG-CD 3.42Å; M540-R569 HydrophobicContact CG-CG 4.03Å; M540-R569 HydrophobicContact SD-CB 3.51Å; M540-R569 VanDerWaalsContact SD-CB 3.51Å; D543-R569 IonicContact OD2-CZ 2.65Å; D543-R569 IonicContact OD2-NE 3.25Å; D543-R569 PolarHBondContact OD2-NE 3.46Å; D543-R569 IonicContact OD2-NH2 3.79Å; R565-R569 WeakPolarHBondContact O-CG 3.36Å; R565-R569 PolarHBondContact O-N 3.34Å; I566-R569 PolarHBondContact O-N 2.7Å; R569-N571 VanDerWaalsContact C-N 3.28Å; R569-N571 PolarHBondContact O-N 2.75Å; R569-R572 WeakPolarHBondContact O-CB 3.48Å; R569-R572 PolarHBondContact O-N 3.08Å; R569-R572 VanDerWaalsContact O-N 3.09Å; R569-V573 PolarHBondContact O-N 2.89Å |
| 570 | A | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.7 | -41.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M540 I566 V573 L574 L600 I604 L634 | M540-A570 HydrophobicContact CE-CB 3.81Å; I566-A570 WeakPolarHBondContact O-CB 3.17Å; I566-A570 PolarHBondContact O-N 3.44Å; A570-V573 PolarHBondContact O-N 2.75Å; A570-L574 WeakPolarHBondContact O-CG 3.41Å; A570-L574 PolarHBondContact O-N 3.39Å; A570-L600 HydrophobicContact CB-CD1 4.48Å; A570-I604 HydrophobicContact CB-CD1 3.65Å; A570-I604 HydrophobicContact CB-CG1 3.91Å; A570-L634 HydrophobicContact CB-CD1 4.47Å |
| 571 | N | 95.7 | Very high | 94 | Very high | 44 Ų | 44 | 31.7 Ų | 31.7 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.4 | -30.8 | 175.4 | -79.9 | -79.6 | 0 | 0 | 0 | 113.5 | A567 R568 R569 L574 Q575 | A567-N571 PolarHBondContact O-N 3.03Å; A567-N571 VanDerWaalsContact O-N 3.07Å; A567-N571 PolarHBondContact O-ND2 3.41Å; R568-N571 PolarHBondContact O-N 3Å; R569-N571 VanDerWaalsContact C-N 3.28Å; R569-N571 PolarHBondContact O-N 2.75Å; N571-L574 PolarHBondContact O-N 2.78Å; N571-Q575 VanDerWaalsContact O-CG 3.31Å; N571-Q575 WeakPolarHBondContact O-CG 3.37Å; N571-Q575 PolarHBondContact O-N 2.82Å |
| 572 | R | 94.3 | Very high | 94 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 171.1 | -67.3 | -106.7 | 60.9 | -146.2 | -6.4 | 111.7 | Y397 D524 F532 R568 R569 Q575 L576 | Y397-R572 WeakPolarHBondContact O-CD 3.25Å; Y397-R572 PolarHBondContact O-NH1 3.43Å; D524-R572 IonicContact OD1-CZ 3.11Å; D524-R572 IonicContact OD1-NH1 2.74Å; D524-R572 PolarHBondContact OD1-NH1 2.77Å; D524-R572 IonicContact OD2-CZ 3.99Å; D524-R572 VanDerWaalsContact OD2-CZ 3.23Å; D524-R572 IonicContact OD2-NH1 3.94Å; D524-R572 PolarHBondContact OD2-NH1 3.1Å; D524-R572 IonicContact OD2-NH2 3.79Å; D524-R572 PolarHBondContact OD2-NH2 3.26Å; F532-R572 HydrophobicContact CE1-CB 4.4Å; F532-R572 HydrophobicContact CZ-CB 4.43Å; R568-R572 VanDerWaalsContact O-CG 3.28Å; R568-R572 WeakPolarHBondContact O-CG 3.31Å; R568-R572 PolarHBondContact O-N 3.03Å; R569-R572 WeakPolarHBondContact O-CB 3.48Å; R569-R572 PolarHBondContact O-N 3.08Å; R569-R572 VanDerWaalsContact O-N 3.09Å; R572-Q575 PolarHBondContact O-N 3.1Å; R572-L576 PolarHBondContact O-N 2.86Å; R572-L576 VanDerWaalsContact O-N 3.15Å |
| 573 | V | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 170.3 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | I533 Q536 R569 A570 Q575 L576 I577 L600 I641 | I533-V573 HydrophobicContact CD1-CG1 4.45Å; I533-V573 HydrophobicContact CG1-CG1 4.26Å; I533-V573 HydrophobicContact CG1-CG2 4.46Å; I533-V573 HydrophobicContact CG2-CG1 4.18Å; I533-V573 HydrophobicContact CG2-CG2 4.31Å; Q536-V573 HydrophobicContact CB-CG2 3.76Å; Q536-V573 HydrophobicContact CG-CG2 4.1Å; R569-V573 PolarHBondContact O-N 2.89Å; A570-V573 PolarHBondContact O-N 2.75Å; V573-Q575 VanDerWaalsContact C-N 3.34Å; V573-Q575 PolarHBondContact O-N 3.49Å; V573-L576 PolarHBondContact O-N 3.34Å; V573-I577 HydrophobicContact CG1-CG2 4.26Å; V573-I577 WeakPolarHBondContact O-CG1 3.44Å; V573-I577 WeakPolarHBondContact O-CG2 3.29Å; V573-I577 PolarHBondContact O-N 2.54Å; V573-L600 HydrophobicContact CB-CD2 4.23Å; V573-L600 HydrophobicContact CG1-CD2 3.89Å; V573-I641 HydrophobicContact CG1-CD1 4.29Å; V573-I641 HydrophobicContact CG1-CG2 4.21Å |
| 574 | L | 94.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.2 | -42.1 | 176.6 | -74.6 | 176.4 | 0 | 0 | 0 | 113.7 | A570 N571 I577 T578 V597 L600 R601 I604 | A570-L574 WeakPolarHBondContact O-CG 3.41Å; A570-L574 PolarHBondContact O-N 3.39Å; N571-L574 PolarHBondContact O-N 2.78Å; L574-I577 HydrophobicContact CD2-CD1 4.28Å; L574-T578 WeakPolarHBondContact O-CB 3.16Å; L574-T578 PolarHBondContact O-N 2.88Å; L574-T578 PolarHBondContact O-OG1 2.73Å; L574-V597 HydrophobicContact CD2-CG1 4.34Å; L574-L600 HydrophobicContact CD2-CB 3.94Å; L574-L600 HydrophobicContact CD2-CD2 3.74Å; L574-L600 HydrophobicContact CD2-CG 3.84Å; L574-L600 HydrophobicContact CG-CD2 3.79Å; L574-L600 HydrophobicContact CG-CG 4.04Å; L574-R601 HydrophobicContact CD1-CG 3.51Å; L574-R601 HydrophobicContact CD2-CG 3.72Å; L574-R601 HydrophobicContact CG-CG 4.28Å; L574-I604 HydrophobicContact CD1-CD1 3.47Å; L574-I604 VanDerWaalsContact CD1-CD1 3.47Å; L574-I604 HydrophobicContact CG-CD1 4.4Å |
| 575 | Q | 92.1 | Very high | 93.4 | Very high | 101 Ų | 101 | 32.3 Ų | 32.3 | 47% | 0.472 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.5 | -51.1 | 176.2 | -75.2 | 168.7 | -9.7 | 0 | 0 | 111.2 | N571 R572 V573 T578 R579 | N571-Q575 VanDerWaalsContact O-CG 3.31Å; N571-Q575 WeakPolarHBondContact O-CG 3.37Å; N571-Q575 PolarHBondContact O-N 2.82Å; R572-Q575 PolarHBondContact O-N 3.1Å; V573-Q575 VanDerWaalsContact C-N 3.34Å; V573-Q575 PolarHBondContact O-N 3.49Å; Q575-T578 PolarHBondContact O-N 3.01Å; Q575-R579 PolarHBondContact O-N 3.16Å; Q575-R579 VanDerWaalsContact O-N 3.07Å |
| 576 | L | 91.5 | Very high | 93.2 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 7% | 0.068 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.4 | -51.3 | 179.5 | 173.8 | 59.5 | 0 | 0 | 0 | 111.5 | A529 F532 I533 R572 V573 T578 R579 E580 | A529-L576 HydrophobicContact CB-CD1 4.21Å; A529-L576 HydrophobicContact CB-CD2 4.13Å; A529-L576 HydrophobicContact CB-CG 4.43Å; F532-L576 HydrophobicContact CB-CD2 4.09Å; F532-L576 HydrophobicContact CD1-CD2 3.46Å; F532-L576 VanDerWaalsContact CD1-CD2 3.46Å; F532-L576 HydrophobicContact CE1-CD2 4.15Å; F532-L576 HydrophobicContact CG-CD2 4.03Å; I533-L576 HydrophobicContact CD1-CD2 3.94Å; I533-L576 HydrophobicContact CG1-CD2 3.7Å; R572-L576 PolarHBondContact O-N 2.86Å; R572-L576 VanDerWaalsContact O-N 3.15Å; V573-L576 PolarHBondContact O-N 3.34Å; L576-T578 VanDerWaalsContact C-N 3.29Å; L576-T578 PolarHBondContact O-N 3.29Å; L576-R579 VanDerWaalsContact CD1-NH2 3.25Å; L576-R579 WeakPolarHBondContact O-CB 3.38Å; L576-R579 PolarHBondContact O-N 3.13Å; L576-R579 VanDerWaalsContact O-N 3.13Å; L576-E580 HydrophobicContact CD1-CG 3.91Å; L576-E580 HydrophobicContact CG-CG 4.41Å; L576-E580 WeakPolarHBondContact O-CG 3.38Å; L576-E580 PolarHBondContact O-N 2.85Å |
| 577 | I | 91.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.5 | -24.3 | -175.2 | 71.1 | 177 | 0 | 0 | 0 | 113.3 | I533 V573 L574 A581 V597 I641 I645 | I533-I577 HydrophobicContact CD1-CG2 3.74Å; V573-I577 HydrophobicContact CG1-CG2 4.26Å; V573-I577 WeakPolarHBondContact O-CG1 3.44Å; V573-I577 WeakPolarHBondContact O-CG2 3.29Å; V573-I577 PolarHBondContact O-N 2.54Å; L574-I577 HydrophobicContact CD2-CD1 4.28Å; I577-A581 WeakPolarHBondContact O-CB 3.49Å; I577-A581 PolarHBondContact O-N 3.33Å; I577-V597 HydrophobicContact CD1-CB 4.44Å; I577-V597 HydrophobicContact CD1-CG2 3.54Å; I577-V597 HydrophobicContact CG1-CG2 3.61Å; I577-I641 HydrophobicContact CD1-CD1 3.61Å; I577-I641 HydrophobicContact CD1-CG1 3.94Å; I577-I641 HydrophobicContact CD1-CG2 4.27Å; I577-I641 HydrophobicContact CG2-CG2 3.74Å; I577-I645 HydrophobicContact CB-CD1 4.37Å; I577-I645 HydrophobicContact CG2-CD1 3.45Å; I577-I645 VanDerWaalsContact CG2-CD1 3.45Å |
| 578 | T | 93 | Very high | 92.3 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 24% | 0.239 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.8 | -47.3 | 169.6 | -50 | 0 | 0 | 0 | 0 | 109.5 | L574 Q575 L576 E580 A581 D582 | L574-T578 WeakPolarHBondContact O-CB 3.16Å; L574-T578 PolarHBondContact O-N 2.88Å; L574-T578 PolarHBondContact O-OG1 2.73Å; Q575-T578 PolarHBondContact O-N 3.01Å; L576-T578 VanDerWaalsContact C-N 3.29Å; L576-T578 PolarHBondContact O-N 3.29Å; T578-E580 VanDerWaalsContact C-N 3.33Å; T578-E580 PolarHBondContact O-N 2.94Å; T578-A581 WeakPolarHBondContact O-CB 3.25Å; T578-A581 PolarHBondContact O-N 2.94Å; T578-A581 VanDerWaalsContact O-N 3.12Å; T578-D582 PolarHBondContact O-N 2.91Å |
| 579 | R | 89.7 | Confident | 91.9 | Very high | 77 Ų | 77 | 35.6 Ų | 35.6 | 29% | 0.291 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.1 | -42.3 | 175 | -173.2 | -172.5 | 75.9 | 179.9 | 2.1 | 112.7 | D524 Q575 L576 N583 | D524-R579 PolarHBondContact O-NH1 3.42Å; D524-R579 PolarHBondContact O-NH2 3.06Å; Q575-R579 PolarHBondContact O-N 3.16Å; Q575-R579 VanDerWaalsContact O-N 3.07Å; L576-R579 VanDerWaalsContact CD1-NH2 3.25Å; L576-R579 WeakPolarHBondContact O-CB 3.38Å; L576-R579 PolarHBondContact O-N 3.13Å; L576-R579 VanDerWaalsContact O-N 3.13Å; R579-N583 VanDerWaalsContact O-CB 3.3Å; R579-N583 WeakPolarHBondContact O-CB 3.49Å; R579-N583 PolarHBondContact O-N 3.42Å |
| 580 | E | 88.4 | Confident | 91.7 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.4 | -27.6 | 178.8 | -62.2 | -56.9 | 138 | 0 | 0 | 112.8 | A529 L576 T578 M593 R1000 | A529-E580 HydrophobicContact CB-CG 4.34Å; L576-E580 HydrophobicContact CD1-CG 3.91Å; L576-E580 HydrophobicContact CG-CG 4.41Å; L576-E580 WeakPolarHBondContact O-CG 3.38Å; L576-E580 PolarHBondContact O-N 2.85Å; T578-E580 VanDerWaalsContact C-N 3.33Å; T578-E580 PolarHBondContact O-N 2.94Å; E580-M593 HydrophobicContact CB-CE 3.69Å; E580-M593 HydrophobicContact CB-SD 4.32Å; E580-R1000 VanDerWaalsContact CD-NH2 3.32Å; E580-R1000 IonicContact OE1-CZ 2.73Å; E580-R1000 IonicContact OE1-NH1 3.5Å; E580-R1000 PolarHBondContact OE1-NH1 3.06Å; E580-R1000 IonicContact OE1-NH2 3.69Å; E580-R1000 PolarHBondContact OE1-NH2 3.48Å; E580-R1000 IonicContact OE2-CZ 2.63Å; E580-R1000 IonicContact OE2-NH2 3.48Å; E580-R1000 PolarHBondContact OE2-NH2 3.36Å |
| 581 | A | 91.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.5 | -47.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I577 T578 N583 S584 M593 | I577-A581 WeakPolarHBondContact O-CB 3.49Å; I577-A581 PolarHBondContact O-N 3.33Å; T578-A581 WeakPolarHBondContact O-CB 3.25Å; T578-A581 PolarHBondContact O-N 2.94Å; T578-A581 VanDerWaalsContact O-N 3.12Å; A581-N583 PolarHBondContact O-N 2.92Å; A581-S584 PolarHBondContact O-N 2.73Å; A581-M593 VanDerWaalsContact CA-SD 3.53Å; A581-M593 HydrophobicContact CB-CB 3.93Å; A581-M593 HydrophobicContact CB-SD 3.72Å; A581-M593 PolarHBondContact N-SD 3.09Å; A581-M593 VanDerWaalsContact N-SD 3.45Å |
| 582 | D | 92.5 | Very high | 91.2 | Very high | 108 Ų | 108 | 43.1 Ų | 43.1 | 58% | 0.578 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -59.9 | -32.2 | 177 | -67.2 | -33.8 | 0 | 0 | 0 | 112.1 | T578 S584 R999 | T578-D582 PolarHBondContact O-N 2.91Å; D582-S584 PolarHBondContact O-N 3.32Å; D582-R999 WeakPolarHBondContact O-CD 3.45Å; D582-R999 PolarHBondContact O-NE 2.92Å |
| 583 | N | 90.8 | Very high | 91.1 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -11 | 174.7 | -176.3 | 59.7 | 0 | 0 | 0 | 114.1 | R579 A581 D998 R999 R1000 | R579-N583 VanDerWaalsContact O-CB 3.3Å; R579-N583 WeakPolarHBondContact O-CB 3.49Å; R579-N583 PolarHBondContact O-N 3.42Å; A581-N583 PolarHBondContact O-N 2.92Å; N583-D998 PolarHBondContact ND2-OD1 2.95Å; N583-D998 PolarHBondContact ND2-OD2 2.67Å; N583-D998 PolarHBondContact OD1-OD1 3.19Å; N583-R999 WeakPolarHBondContact O-CG 3.22Å; N583-R999 PolarHBondContact O-N 3.16Å; N583-R1000 PolarHBondContact ND2-NE 3.43Å; N583-R1000 PolarHBondContact ND2-NH2 3.09Å; N583-R1000 WeakPolarHBondContact OD1-CG 3.38Å; N583-R1000 PolarHBondContact OD1-N 3Å; N583-R1000 PolarHBondContact OD1-NE 3.04Å |
| 584 | S | 91.5 | Very high | 91 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -107.7 | 151 | -175.2 | -169.2 | 0 | 0 | 0 | 0 | 113.7 | A581 D582 D586 T997 | A581-S584 PolarHBondContact O-N 2.73Å; D582-S584 PolarHBondContact O-N 3.32Å; S584-D586 PolarHBondContact OG-N 2.75Å; S584-T997 CarbonylContact C-O 3.52Å |
| 585 | E | 91.2 | Very high | 91 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | trans | -120.1 | 10.7 | 169.7 | -68.3 | -177.3 | 178.5 | 0 | 0 | 113 | P587 T997 R999 R1002 R1071 | E585-P587 WeakPolarHBondContact O-CD 3.45Å; E585-T997 HydrophobicContact CB-CG2 4.45Å; E585-T997 PolarHBondContact N-O 3.46Å; E585-R999 IonicContact OE1-CZ 3.13Å; E585-R999 IonicContact OE1-NH1 3.96Å; E585-R999 PolarHBondContact OE1-NH1 3.32Å; E585-R999 IonicContact OE1-NH2 2.71Å; E585-R1002 IonicContact OE1-CZ 2.72Å; E585-R1002 IonicContact OE1-NH1 3.43Å; E585-R1002 PolarHBondContact OE1-NH1 3.13Å; E585-R1002 IonicContact OE1-NH2 3.2Å; E585-R1002 PolarHBondContact OE1-NH2 2.9Å; E585-R1002 IonicContact OE2-CZ 3.67Å; E585-R1002 IonicContact OE2-NH1 2.7Å; E585-R1002 PolarHBondContact OE2-NH1 3.42Å; E585-R1002 IonicContact OE2-NH2 2.69Å; E585-R1071 IonicContact OE2-CZ 3.55Å; E585-R1071 IonicContact OE2-NH2 2.78Å; E585-R1071 PolarHBondContact OE2-NH2 2.97Å | ||
| 586 | D | 89.4 | Confident | 91 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | trans | -82.6 | 110.2 | 165.4 | 170.8 | 18.7 | 0 | 0 | 0 | 109 | S584 L588 Y589 V590 T997 | S584-D586 PolarHBondContact OG-N 2.75Å; D586-L588 PolarHBondContact O-N 3.49Å; D586-L588 PolarHBondContact OD1-N 3.4Å; D586-Y589 PolarHBondContact O-N 2.95Å; D586-Y589 WeakPolarHBondContact OD2-CB 3.14Å; D586-Y589 PolarHBondContact OD2-N 2.8Å; D586-V590 WeakPolarHBondContact O-CB 3.04Å; D586-V590 VanDerWaalsContact O-CG2 3.31Å; D586-V590 WeakPolarHBondContact O-CG2 3.21Å; D586-V590 PolarHBondContact O-N 2.85Å; D586-T997 HydrophobicContact CB-CG2 4.21Å | ||
| 587 | P | 88.1 | Confident | 91.2 | Very high | 87 Ų | 87 | 46.3 Ų | 46.3 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -58.6 | -36.8 | -178.6 | -21.7 | 34 | 0 | 0 | 0 | 112.3 | E585 Y589 V590 D591 | E585-P587 WeakPolarHBondContact O-CD 3.45Å; P587-Y589 PolarHBondContact O-N 2.98Å; P587-V590 PolarHBondContact O-N 3.5Å; P587-D591 WeakPolarHBondContact O-CB 3.45Å; P587-D591 VanDerWaalsContact O-CG 3.25Å; P587-D591 PolarHBondContact O-N 3.28Å |
| 588 | L | 88 | Confident | 91.4 | Very high | 78 Ų | 78 | 51.7 Ų | 51.7 | 41% | 0.408 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -72.5 | -33.6 | -174.4 | -60.8 | 171.3 | 0 | 0 | 0 | 111.4 | D586 R592 | D586-L588 PolarHBondContact O-N 3.49Å; D586-L588 PolarHBondContact OD1-N 3.4Å; L588-R592 VanDerWaalsContact O-CG 3.29Å; L588-R592 WeakPolarHBondContact O-CG 3.24Å; L588-R592 VanDerWaalsContact O-CZ 3.27Å; L588-R592 PolarHBondContact O-N 3.22Å; L588-R592 PolarHBondContact O-NH1 3.44Å |
| 589 | Y | 87.8 | Confident | 91.5 | Very high | 30 Ų | 30 | 52 Ų | 52 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.6 | -45.3 | 170.4 | 179.4 | -100.1 | 0 | 0 | 0 | 111.8 | D586 P587 D591 R592 M593 | D586-Y589 PolarHBondContact O-N 2.95Å; D586-Y589 WeakPolarHBondContact OD2-CB 3.14Å; D586-Y589 PolarHBondContact OD2-N 2.8Å; P587-Y589 PolarHBondContact O-N 2.98Å; Y589-D591 VanDerWaalsContact C-N 3.35Å; Y589-D591 PolarHBondContact O-N 3.1Å; Y589-R592 PolarHBondContact O-N 3.38Å; Y589-M593 HydrophobicContact CD1-CG 4.35Å; Y589-M593 HydrophobicContact CD1-SD 3.86Å; Y589-M593 HydrophobicContact CE1-CE 3.7Å; Y589-M593 HydrophobicContact CE1-CG 4.21Å; Y589-M593 HydrophobicContact CE1-SD 3.3Å; Y589-M593 WeakPolarHBondContact CE1-SD 3.48Å; Y589-M593 HydrophobicContact CE2-CE 4.26Å; Y589-M593 VanDerWaalsContact CZ-CE 3.45Å; Y589-M593 WeakPolarHBondContact O-CG 3.42Å; Y589-M593 PolarHBondContact O-N 3.39Å; Y589-M593 WeakPolarHBondContact OH-CE 3.27Å |
| 590 | V | 91.6 | Very high | 91.8 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | D586 P587 M593 N594 | D586-V590 WeakPolarHBondContact O-CB 3.04Å; D586-V590 VanDerWaalsContact O-CG2 3.31Å; D586-V590 WeakPolarHBondContact O-CG2 3.21Å; D586-V590 PolarHBondContact O-N 2.85Å; P587-V590 PolarHBondContact O-N 3.5Å; V590-M593 PolarHBondContact O-N 2.96Å; V590-N594 VanDerWaalsContact CG1-ND2 3.34Å; V590-N594 WeakPolarHBondContact CG1-ND2 3.48Å; V590-N594 WeakPolarHBondContact O-CB 3.13Å; V590-N594 PolarHBondContact O-N 3.45Å; V590-N594 PolarHBondContact O-ND2 3.05Å |
| 591 | D | 91.3 | Very high | 92.2 | Very high | 96 Ų | 96 | 53.5 Ų | 53.5 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 175.3 | -73.4 | -22.7 | 0 | 0 | 0 | 111.6 | P587 Y589 M593 N594 E595 | P587-D591 WeakPolarHBondContact O-CB 3.45Å; P587-D591 VanDerWaalsContact O-CG 3.25Å; P587-D591 PolarHBondContact O-N 3.28Å; Y589-D591 VanDerWaalsContact C-N 3.35Å; Y589-D591 PolarHBondContact O-N 3.1Å; D591-M593 VanDerWaalsContact C-N 3.3Å; D591-M593 PolarHBondContact O-N 3.38Å; D591-N594 PolarHBondContact O-N 3.46Å; D591-E595 PolarHBondContact O-N 2.94Å |
| 592 | R | 91.2 | Very high | 92.5 | Very high | 90 Ų | 90 | 57.1 Ų | 57.1 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 175 | -74 | -172.3 | -53.6 | -90.5 | 9.8 | 112.1 | L588 Y589 A596 V644 Y655 | L588-R592 VanDerWaalsContact O-CG 3.29Å; L588-R592 WeakPolarHBondContact O-CG 3.24Å; L588-R592 VanDerWaalsContact O-CZ 3.27Å; L588-R592 PolarHBondContact O-N 3.22Å; L588-R592 PolarHBondContact O-NH1 3.44Å; Y589-R592 PolarHBondContact O-N 3.38Å; R592-A596 WeakPolarHBondContact O-CB 3.42Å; R592-A596 PolarHBondContact O-N 2.78Å; R592-A596 VanDerWaalsContact O-N 3.12Å; R592-V644 HydrophobicContact CB-CG1 3.93Å; R592-Y655 PolarHBondContact NH1-OH 3.24Å |
| 593 | M | 91.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 174.3 | -76.5 | -167.3 | 139.8 | 0 | 0 | 112 | E580 A581 Y589 V590 D591 E595 A596 V597 V644 I645 | E580-M593 HydrophobicContact CB-CE 3.69Å; E580-M593 HydrophobicContact CB-SD 4.32Å; A581-M593 VanDerWaalsContact CA-SD 3.53Å; A581-M593 HydrophobicContact CB-CB 3.93Å; A581-M593 HydrophobicContact CB-SD 3.72Å; A581-M593 PolarHBondContact N-SD 3.09Å; A581-M593 VanDerWaalsContact N-SD 3.45Å; Y589-M593 HydrophobicContact CD1-CG 4.35Å; Y589-M593 HydrophobicContact CD1-SD 3.86Å; Y589-M593 HydrophobicContact CE1-CE 3.7Å; Y589-M593 HydrophobicContact CE1-CG 4.21Å; Y589-M593 HydrophobicContact CE1-SD 3.3Å; Y589-M593 WeakPolarHBondContact CE1-SD 3.48Å; Y589-M593 HydrophobicContact CE2-CE 4.26Å; Y589-M593 VanDerWaalsContact CZ-CE 3.45Å; Y589-M593 WeakPolarHBondContact O-CG 3.42Å; Y589-M593 PolarHBondContact O-N 3.39Å; Y589-M593 WeakPolarHBondContact OH-CE 3.27Å; V590-M593 PolarHBondContact O-N 2.96Å; D591-M593 VanDerWaalsContact C-N 3.3Å; D591-M593 PolarHBondContact O-N 3.38Å; M593-E595 PolarHBondContact O-N 3.35Å; M593-A596 CarbonylContact O-C 3.53Å; M593-A596 WeakPolarHBondContact O-CB 3.45Å; M593-A596 PolarHBondContact O-N 3.14Å; M593-A596 VanDerWaalsContact O-N 3.15Å; M593-V597 WeakPolarHBondContact O-CB 3.4Å; M593-V597 VanDerWaalsContact O-CG2 3.28Å; M593-V597 WeakPolarHBondContact O-CG2 2.94Å; M593-V597 PolarHBondContact O-N 2.88Å; M593-V644 HydrophobicContact CG-CG1 3.98Å; M593-I645 HydrophobicContact CE-CD1 4.12Å; M593-I645 HydrophobicContact CE-CG1 3.64Å |
| 594 | N | 93.9 | Very high | 93 | Very high | 58 Ų | 58 | 53 Ų | 53 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.4 | -36.5 | -179.4 | -81.1 | -46.6 | 0 | 0 | 0 | 112.8 | V590 D591 V597 K598 | V590-N594 VanDerWaalsContact CG1-ND2 3.34Å; V590-N594 WeakPolarHBondContact CG1-ND2 3.48Å; V590-N594 WeakPolarHBondContact O-CB 3.13Å; V590-N594 PolarHBondContact O-N 3.45Å; V590-N594 PolarHBondContact O-ND2 3.05Å; D591-N594 PolarHBondContact O-N 3.46Å; N594-V597 PolarHBondContact O-N 3.36Å; N594-K598 WeakPolarHBondContact O-CD 3.47Å; N594-K598 VanDerWaalsContact O-CG 3.22Å; N594-K598 WeakPolarHBondContact O-CG 3.17Å; N594-K598 PolarHBondContact O-N 2.92Å |
| 595 | E | 94.1 | Very high | 93.2 | Very high | 111 Ų | 111 | 56.8 Ų | 56.8 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 170.5 | -66.3 | -47.6 | 127.6 | 0 | 0 | 112.2 | D591 M593 V597 K598 A599 | D591-E595 PolarHBondContact O-N 2.94Å; M593-E595 PolarHBondContact O-N 3.35Å; E595-V597 VanDerWaalsContact C-N 3.35Å; E595-V597 PolarHBondContact O-N 3.36Å; E595-K598 PolarHBondContact O-N 3.3Å; E595-K598 IonicContact OE1-NZ 3.89Å; E595-K598 PolarHBondContact OE1-NZ 3.08Å; E595-K598 IonicContact OE2-NZ 3.72Å; E595-A599 WeakPolarHBondContact O-CB 3.17Å; E595-A599 PolarHBondContact O-N 3.05Å |
| 596 | A | 93.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 57 Ų | 57 | 12% | 0.116 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R592 M593 A599 L600 I641 V644 | R592-A596 WeakPolarHBondContact O-CB 3.42Å; R592-A596 PolarHBondContact O-N 2.78Å; R592-A596 VanDerWaalsContact O-N 3.12Å; M593-A596 CarbonylContact O-C 3.53Å; M593-A596 WeakPolarHBondContact O-CB 3.45Å; M593-A596 PolarHBondContact O-N 3.14Å; M593-A596 VanDerWaalsContact O-N 3.15Å; A596-A599 PolarHBondContact O-N 2.68Å; A596-L600 PolarHBondContact O-N 3.23Å; A596-I641 HydrophobicContact CB-CG1 3.73Å; A596-V644 HydrophobicContact CB-CG2 4.41Å |
| 597 | V | 94.5 | Very high | 93.9 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 170.8 | 167.9 | 0 | 0 | 0 | 0 | 110.9 | L574 I577 M593 N594 E595 R601 | L574-V597 HydrophobicContact CD2-CG1 4.34Å; I577-V597 HydrophobicContact CD1-CB 4.44Å; I577-V597 HydrophobicContact CD1-CG2 3.54Å; I577-V597 HydrophobicContact CG1-CG2 3.61Å; M593-V597 WeakPolarHBondContact O-CB 3.4Å; M593-V597 VanDerWaalsContact O-CG2 3.28Å; M593-V597 WeakPolarHBondContact O-CG2 2.94Å; M593-V597 PolarHBondContact O-N 2.88Å; N594-V597 PolarHBondContact O-N 3.36Å; E595-V597 VanDerWaalsContact C-N 3.35Å; E595-V597 PolarHBondContact O-N 3.36Å; V597-R601 HydrophobicContact CG1-CG 4.37Å; V597-R601 VanDerWaalsContact O-CB 3.32Å; V597-R601 WeakPolarHBondContact O-CB 3.39Å; V597-R601 VanDerWaalsContact O-CG 3.28Å; V597-R601 WeakPolarHBondContact O-CG 3.35Å; V597-R601 PolarHBondContact O-N 3.05Å |
| 598 | K | 95.5 | Very high | 94.3 | Very high | 116 Ų | 116 | 52.6 Ų | 52.6 | 50% | 0.504 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 177.7 | -70.4 | 163.4 | -168.5 | 173.7 | 0 | 111 | N594 E595 R601 S602 | N594-K598 WeakPolarHBondContact O-CD 3.47Å; N594-K598 VanDerWaalsContact O-CG 3.22Å; N594-K598 WeakPolarHBondContact O-CG 3.17Å; N594-K598 PolarHBondContact O-N 2.92Å; E595-K598 PolarHBondContact O-N 3.3Å; E595-K598 IonicContact OE1-NZ 3.89Å; E595-K598 PolarHBondContact OE1-NZ 3.08Å; E595-K598 IonicContact OE2-NZ 3.72Å; K598-R601 PolarHBondContact O-N 3.17Å; K598-S602 PolarHBondContact O-N 2.97Å; K598-S602 PolarHBondContact O-OG 3.14Å |
| 599 | A | 95.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.5 | -56 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E595 A596 R601 S602 | E595-A599 WeakPolarHBondContact O-CB 3.17Å; E595-A599 PolarHBondContact O-N 3.05Å; A596-A599 PolarHBondContact O-N 2.68Å; A599-R601 PolarHBondContact O-N 3.42Å; A599-S602 PolarHBondContact O-N 3.47Å; A599-S602 PolarHBondContact O-OG 3.43Å |
| 600 | L | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 179.2 | 177.2 | 57.7 | 0 | 0 | 0 | 112 | A570 V573 L574 A596 S602 T603 I604 L634 A637 I638 I641 | A570-L600 HydrophobicContact CB-CD1 4.48Å; V573-L600 HydrophobicContact CB-CD2 4.23Å; V573-L600 HydrophobicContact CG1-CD2 3.89Å; L574-L600 HydrophobicContact CD2-CB 3.94Å; L574-L600 HydrophobicContact CD2-CD2 3.74Å; L574-L600 HydrophobicContact CD2-CG 3.84Å; L574-L600 HydrophobicContact CG-CD2 3.79Å; L574-L600 HydrophobicContact CG-CG 4.04Å; A596-L600 PolarHBondContact O-N 3.23Å; L600-S602 PolarHBondContact O-N 2.95Å; L600-T603 PolarHBondContact O-N 3.4Å; L600-T603 PolarHBondContact O-OG1 3.41Å; L600-I604 HydrophobicContact CD1-CG1 4.48Å; L600-I604 HydrophobicContact CG-CD1 4.49Å; L600-L634 HydrophobicContact CD1-CG 4.31Å; L600-A637 HydrophobicContact CB-CB 4.29Å; L600-A637 HydrophobicContact CD1-CB 4.27Å; L600-I638 HydrophobicContact CD1-CD1 4.24Å; L600-I638 HydrophobicContact CD1-CG1 3.82Å; L600-I638 HydrophobicContact CD2-CG1 4.01Å; L600-I641 HydrophobicContact CB-CD1 3.6Å; L600-I641 HydrophobicContact CD2-CD1 3.42Å; L600-I641 VanDerWaalsContact CD2-CD1 3.42Å; L600-I641 HydrophobicContact CG-CD1 4.09Å |
| 601 | R | 96.7 | Very high | 95.2 | Very high | 124 Ų | 124 | 52 Ų | 52 | 47% | 0.468 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53.6 | -40.7 | 176.9 | -77.3 | 178 | -168.8 | -95.5 | 2.2 | 112.2 | L574 V597 K598 A599 T603 | L574-R601 HydrophobicContact CD1-CG 3.51Å; L574-R601 HydrophobicContact CD2-CG 3.72Å; L574-R601 HydrophobicContact CG-CG 4.28Å; V597-R601 HydrophobicContact CG1-CG 4.37Å; V597-R601 VanDerWaalsContact O-CB 3.32Å; V597-R601 WeakPolarHBondContact O-CB 3.39Å; V597-R601 VanDerWaalsContact O-CG 3.28Å; V597-R601 WeakPolarHBondContact O-CG 3.35Å; V597-R601 PolarHBondContact O-N 3.05Å; K598-R601 PolarHBondContact O-N 3.17Å; A599-R601 PolarHBondContact O-N 3.42Å; R601-T603 VanDerWaalsContact C-N 3.26Å; R601-T603 PolarHBondContact O-N 3.36Å |
| 602 | S | 96.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 52.2 Ų | 52.2 | 57% | 0.566 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68 | -20.3 | -179.5 | 73 | 0 | 0 | 0 | 0 | 114.5 | K598 A599 L600 P606 | K598-S602 PolarHBondContact O-N 2.97Å; K598-S602 PolarHBondContact O-OG 3.14Å; A599-S602 PolarHBondContact O-N 3.47Å; A599-S602 PolarHBondContact O-OG 3.43Å; L600-S602 PolarHBondContact O-N 2.95Å; S602-P606 WeakPolarHBondContact O-CD 3.39Å; S602-P606 WeakPolarHBondContact O-CG 3.41Å |
| 603 | T | 97.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -88.1 | -23.4 | -180 | 65.4 | 0 | 0 | 0 | 0 | 114.9 | L600 R601 P606 M607 N633 L634 A637 | L600-T603 PolarHBondContact O-N 3.4Å; L600-T603 PolarHBondContact O-OG1 3.41Å; R601-T603 VanDerWaalsContact C-N 3.26Å; R601-T603 PolarHBondContact O-N 3.36Å; T603-P606 WeakPolarHBondContact O-CD 3.37Å; T603-M607 PolarHBondContact O-N 3.28Å; T603-N633 HydrophobicContact CG2-CB 4.47Å; T603-L634 WeakPolarHBondContact OG1-CA 3.43Å; T603-L634 WeakPolarHBondContact OG1-CB 3.36Å; T603-A637 HydrophobicContact CG2-CB 4.41Å |
| 604 | I | 97 | Very high | 95.5 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.1 | -49.1 | -173 | -62.9 | 174.2 | 0 | 0 | 0 | 111.6 | A570 L574 L600 M607 V608 L634 | A570-I604 HydrophobicContact CB-CD1 3.65Å; A570-I604 HydrophobicContact CB-CG1 3.91Å; L574-I604 HydrophobicContact CD1-CD1 3.47Å; L574-I604 VanDerWaalsContact CD1-CD1 3.47Å; L574-I604 HydrophobicContact CG-CD1 4.4Å; L600-I604 HydrophobicContact CD1-CG1 4.48Å; L600-I604 HydrophobicContact CG-CD1 4.49Å; I604-M607 PolarHBondContact O-N 2.85Å; I604-V608 HydrophobicContact CG2-CG2 4.4Å; I604-V608 WeakPolarHBondContact O-CG2 3.4Å; I604-V608 PolarHBondContact O-N 3.17Å; I604-L634 HydrophobicContact CG1-CD1 4.04Å |
| 605 | T | 96.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 48.1 Ų | 48.1 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | -177.7 | -55 | 0 | 0 | 0 | 0 | 113 | V608 N609 | T605-V608 PolarHBondContact O-N 3.45Å; T605-N609 WeakPolarHBondContact O-CB 3.28Å; T605-N609 PolarHBondContact O-N 3.41Å; T605-N609 PolarHBondContact O-ND2 3.28Å |
| 606 | P | 97.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.1 | -51.9 | 168.7 | -28.6 | 36.5 | 0 | 0 | 0 | 113.2 | S602 T603 V608 N609 D610 | S602-P606 WeakPolarHBondContact O-CD 3.39Å; S602-P606 WeakPolarHBondContact O-CG 3.41Å; T603-P606 WeakPolarHBondContact O-CD 3.37Å; P606-V608 VanDerWaalsContact C-N 3.31Å; P606-V608 PolarHBondContact O-N 3.13Å; P606-N609 PolarHBondContact O-N 2.68Å; P606-D610 VanDerWaalsContact O-CG 3.29Å; P606-D610 PolarHBondContact O-N 2.99Å |
| 607 | M | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -41.5 | -179.3 | -175.2 | -78.1 | -63.7 | 0 | 0 | 112.4 | T563 I566 A567 T603 I604 A611 N631 L634 | T563-M607 HydrophobicContact CG2-SD 4.46Å; I566-M607 HydrophobicContact CB-CE 4.15Å; I566-M607 HydrophobicContact CG2-CE 3.78Å; I566-M607 HydrophobicContact CG2-SD 4.49Å; A567-M607 HydrophobicContact CB-CE 4.07Å; T603-M607 PolarHBondContact O-N 3.28Å; I604-M607 PolarHBondContact O-N 2.85Å; M607-A611 VanDerWaalsContact O-CB 3.29Å; M607-A611 WeakPolarHBondContact O-CB 3.45Å; M607-A611 PolarHBondContact O-N 3.3Å; M607-N631 HydrophobicContact CG-CB 4.2Å; M607-L634 HydrophobicContact CB-CD1 4.04Å; M607-L634 HydrophobicContact CE-CD1 3.93Å; M607-L634 HydrophobicContact CG-CD1 4.22Å |
| 608 | V | 96.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.8 | -31.7 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 112.5 | A567 I604 T605 P606 K612 | A567-V608 HydrophobicContact CB-CG2 3.87Å; I604-V608 HydrophobicContact CG2-CG2 4.4Å; I604-V608 WeakPolarHBondContact O-CG2 3.4Å; I604-V608 PolarHBondContact O-N 3.17Å; T605-V608 PolarHBondContact O-N 3.45Å; P606-V608 VanDerWaalsContact C-N 3.31Å; P606-V608 PolarHBondContact O-N 3.13Å; V608-K612 WeakPolarHBondContact O-CG 3.42Å; V608-K612 PolarHBondContact O-N 2.87Å |
| 609 | N | 95.9 | Very high | 94.9 | Very high | 77 Ų | 77 | 52 Ų | 52 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -79.1 | -38.4 | 177.3 | -73.5 | -16.8 | 0 | 0 | 0 | 112.3 | T605 P606 A611 K612 G613 | T605-N609 WeakPolarHBondContact O-CB 3.28Å; T605-N609 PolarHBondContact O-N 3.41Å; T605-N609 PolarHBondContact O-ND2 3.28Å; P606-N609 PolarHBondContact O-N 2.68Å; N609-A611 VanDerWaalsContact C-N 3.27Å; N609-A611 PolarHBondContact O-N 3.44Å; N609-K612 WeakPolarHBondContact O-CB 3.45Å; N609-K612 PolarHBondContact O-N 3.07Å; N609-K612 VanDerWaalsContact O-N 3.11Å; N609-K612 PolarHBondContact OD1-NZ 3.49Å; N609-K612 VanDerWaalsContact OD1-NZ 3.07Å; N609-G613 PolarHBondContact O-N 2.92Å |
| 610 | D | 96 | Very high | 94.7 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 24% | 0.235 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -37 | 172.5 | -61.3 | -20.6 | 0 | 0 | 0 | 110.6 | P606 K612 G613 L614 W627 S630 | P606-D610 VanDerWaalsContact O-CG 3.29Å; P606-D610 PolarHBondContact O-N 2.99Å; D610-K612 VanDerWaalsContact C-N 3.32Å; D610-K612 PolarHBondContact O-N 3.28Å; D610-G613 PolarHBondContact O-N 3.4Å; D610-L614 WeakPolarHBondContact O-CB 3.27Å; D610-L614 PolarHBondContact O-N 3.13Å; D610-W627 HydrophobicContact CB-CB 4.11Å; D610-S630 WeakPolarHBondContact OD2-CB 3.13Å; D610-S630 PolarHBondContact OD2-OG 2.92Å |
| 611 | A | 95.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 56 Ų | 56 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -35.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T563 M607 N609 V615 | T563-A611 HydrophobicContact CG2-CB 3.77Å; M607-A611 VanDerWaalsContact O-CB 3.29Å; M607-A611 WeakPolarHBondContact O-CB 3.45Å; M607-A611 PolarHBondContact O-N 3.3Å; N609-A611 VanDerWaalsContact C-N 3.27Å; N609-A611 PolarHBondContact O-N 3.44Å; A611-V615 VanDerWaalsContact O-CG2 3.26Å; A611-V615 WeakPolarHBondContact O-CG2 3.47Å; A611-V615 PolarHBondContact O-N 3.29Å |
| 612 | K | 94.3 | Very high | 94.4 | Very high | 101 Ų | 101 | 56.4 Ų | 56.4 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 171.8 | -67.2 | 165 | -168.7 | 164.2 | 0 | 111.4 | V608 N609 D610 L614 V615 T616 | V608-K612 WeakPolarHBondContact O-CG 3.42Å; V608-K612 PolarHBondContact O-N 2.87Å; N609-K612 WeakPolarHBondContact O-CB 3.45Å; N609-K612 PolarHBondContact O-N 3.07Å; N609-K612 VanDerWaalsContact O-N 3.11Å; N609-K612 PolarHBondContact OD1-NZ 3.49Å; N609-K612 VanDerWaalsContact OD1-NZ 3.07Å; D610-K612 VanDerWaalsContact C-N 3.32Å; D610-K612 PolarHBondContact O-N 3.28Å; K612-L614 PolarHBondContact O-N 2.92Å; K612-V615 PolarHBondContact O-N 3.22Å; K612-V615 VanDerWaalsContact O-N 3.14Å; K612-T616 PolarHBondContact O-N 3.08Å |
| 613 | G | 92.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 19% | 0.186 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N609 D610 V615 T616 N617 | N609-G613 PolarHBondContact O-N 2.92Å; D610-G613 PolarHBondContact O-N 3.4Å; G613-V615 VanDerWaalsContact C-N 3.3Å; G613-V615 PolarHBondContact O-N 3.01Å; G613-T616 PolarHBondContact O-N 3.37Å; G613-T616 PolarHBondContact O-OG1 3.31Å; G613-N617 PolarHBondContact O-N 3.39Å |
| 614 | L | 92.1 | Very high | 94 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.4 | -36.4 | 173 | -179.9 | 65 | 0 | 0 | 0 | 113.2 | I551 V559 D610 K612 N617 I618 M623 H624 W627 | I551-L614 HydrophobicContact CD1-CD1 4.15Å; I551-L614 HydrophobicContact CD1-CD2 3.65Å; I551-L614 HydrophobicContact CD1-CG 4.49Å; I551-L614 HydrophobicContact CG1-CD1 4.14Å; I551-L614 HydrophobicContact CG1-CD2 3.85Å; I551-L614 HydrophobicContact CG1-CG 4.39Å; V559-L614 HydrophobicContact CG1-CD2 3.63Å; V559-L614 HydrophobicContact CG1-CG 4.07Å; V559-L614 HydrophobicContact CG2-CD2 4.33Å; D610-L614 WeakPolarHBondContact O-CB 3.27Å; D610-L614 PolarHBondContact O-N 3.13Å; K612-L614 PolarHBondContact O-N 2.92Å; L614-N617 CarbonylContact O-C 3.5Å; L614-I618 WeakPolarHBondContact O-CA 3.33Å; L614-I618 VanDerWaalsContact O-CB 3.28Å; L614-I618 WeakPolarHBondContact O-CB 3.16Å; L614-I618 PolarHBondContact O-N 2.94Å; L614-I618 VanDerWaalsContact O-N 3.09Å; L614-M623 HydrophobicContact CB-CB 4.49Å; L614-M623 HydrophobicContact CD1-CB 4.31Å; L614-H624 VanDerWaalsContact CD1-CD2 3.49Å; L614-H624 WeakPolarHBondContact CD1-CD2 3.4Å; L614-W627 HydrophobicContact CD2-CB 4.24Å; L614-W627 HydrophobicContact CD2-CD2 4.33Å; L614-W627 HydrophobicContact CD2-CG 4.11Å |
| 615 | V | 92.5 | Very high | 93.9 | Very high | 46 Ų | 46 | 58.4 Ų | 58.4 | 28% | 0.279 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.3 | -33.3 | 174.3 | 165.6 | 0 | 0 | 0 | 0 | 112.4 | T556 V559 V560 A611 K612 G613 | T556-V615 HydrophobicContact CG2-CG1 4.48Å; V559-V615 HydrophobicContact CB-CG2 4.2Å; V559-V615 HydrophobicContact CG1-CG2 3.8Å; V560-V615 HydrophobicContact CG2-CG1 4.39Å; V560-V615 HydrophobicContact CG2-CG2 3.61Å; A611-V615 VanDerWaalsContact O-CG2 3.26Å; A611-V615 WeakPolarHBondContact O-CG2 3.47Å; A611-V615 PolarHBondContact O-N 3.29Å; K612-V615 PolarHBondContact O-N 3.22Å; K612-V615 VanDerWaalsContact O-N 3.14Å; G613-V615 VanDerWaalsContact C-N 3.3Å; G613-V615 PolarHBondContact O-N 3.01Å |
| 616 | T | 92.8 | Very high | 93.8 | Very high | 100 Ų | 100 | 58.7 Ų | 58.7 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -76.3 | -31.7 | 176.8 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | K612 G613 | K612-T616 PolarHBondContact O-N 3.08Å; G613-T616 PolarHBondContact O-N 3.37Å; G613-T616 PolarHBondContact O-OG1 3.31Å |
| 617 | N | 92.2 | Very high | 93.8 | Very high | 93 Ų | 93 | 55.9 Ų | 55.9 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | trans | -138.4 | 63.7 | -176.8 | -67.2 | -76.3 | 0 | 0 | 0 | 110.2 | G613 L614 D619 D620 M623 | G613-N617 PolarHBondContact O-N 3.39Å; L614-N617 CarbonylContact O-C 3.5Å; N617-D619 PolarHBondContact O-N 3.47Å; N617-D620 HydrophobicContact CB-CB 4.33Å; N617-D620 PolarHBondContact O-N 3.43Å; N617-D620 VanDerWaalsContact O-N 3.12Å; N617-M623 HydrophobicContact CB-CG 4.14Å | ||
| 618 | I | 91 | Very high | 93.7 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.3 | -173.9 | -169.5 | 159.2 | 0 | 0 | 0 | 113.7 | I554 T556 V559 L614 H624 | I554-I618 HydrophobicContact CG2-CD1 4.46Å; I554-I618 HydrophobicContact CG2-CG1 4.39Å; I554-I618 HydrophobicContact CG2-CG2 3.57Å; T556-I618 HydrophobicContact CG2-CB 4.36Å; T556-I618 HydrophobicContact CG2-CD1 3.94Å; T556-I618 HydrophobicContact CG2-CG2 4.23Å; V559-I618 HydrophobicContact CG2-CD1 4.19Å; L614-I618 WeakPolarHBondContact O-CA 3.33Å; L614-I618 VanDerWaalsContact O-CB 3.28Å; L614-I618 WeakPolarHBondContact O-CB 3.16Å; L614-I618 PolarHBondContact O-N 2.94Å; L614-I618 VanDerWaalsContact O-N 3.09Å; I618-H624 PolarHBondContact O-NE2 2.85Å |
| 619 | D | 89.9 | Confident | 93.8 | Very high | 122 Ų | 122 | 62.5 Ų | 62.5 | 65% | 0.652 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -10.8 | 176.7 | -57.3 | -66.1 | 0 | 0 | 0 | 114.3 | N617 P621 | N617-D619 PolarHBondContact O-N 3.47Å; D619-P621 VanDerWaalsContact O-CD 3.3Å; D619-P621 WeakPolarHBondContact O-CD 3.19Å |
| 620 | D | 92.7 | Very high | 93.9 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | trans | -85 | 114.2 | -177.8 | -179.5 | 6.9 | 0 | 0 | 0 | 112.1 | N617 K622 M623 H624 | N617-D620 HydrophobicContact CB-CB 4.33Å; N617-D620 PolarHBondContact O-N 3.43Å; N617-D620 VanDerWaalsContact O-N 3.12Å; D620-K622 PolarHBondContact O-N 2.75Å; D620-K622 VanDerWaalsContact O-N 3.07Å; D620-K622 VanDerWaalsContact OD1-CB 3.31Å; D620-K622 WeakPolarHBondContact OD1-CB 3.38Å; D620-K622 WeakPolarHBondContact OD1-CG 3.36Å; D620-K622 PolarHBondContact OD1-N 2.84Å; D620-M623 HydrophobicContact CB-CB 4.47Å; D620-M623 HydrophobicContact CB-CG 3.94Å; D620-M623 WeakPolarHBondContact O-CB 3.36Å; D620-M623 PolarHBondContact O-N 2.93Å; D620-H624 PolarHBondContact O-CD2 2.83Å; D620-H624 PolarHBondContact O-N 3.47Å | ||
| 621 | P | 92.2 | Very high | 93.9 | Very high | 80 Ų | 80 | 57.6 Ų | 57.6 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -20.6 | 177.7 | -22 | 34.9 | 0 | 0 | 0 | 113.9 | D619 N625 | D619-P621 VanDerWaalsContact O-CD 3.3Å; D619-P621 WeakPolarHBondContact O-CD 3.19Å; P621-N625 WeakPolarHBondContact O-CB 3.32Å; P621-N625 VanDerWaalsContact O-CG 3.29Å; P621-N625 PolarHBondContact O-N 3.41Å; P621-N625 VanDerWaalsContact O-N 3.11Å; P621-N625 PolarHBondContact O-ND2 3.48Å |
| 622 | K | 93.5 | Very high | 94 | Very high | 132 Ų | 132 | 64.8 Ų | 64.8 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.5 | -42.6 | 173.8 | -60 | 173 | -178.6 | 175.9 | 0 | 111.1 | D620 H624 N625 Q626 | D620-K622 PolarHBondContact O-N 2.75Å; D620-K622 VanDerWaalsContact O-N 3.07Å; D620-K622 VanDerWaalsContact OD1-CB 3.31Å; D620-K622 WeakPolarHBondContact OD1-CB 3.38Å; D620-K622 WeakPolarHBondContact OD1-CG 3.36Å; D620-K622 PolarHBondContact OD1-N 2.84Å; K622-H624 VanDerWaalsContact C-N 3.32Å; K622-H624 PolarHBondContact O-N 2.85Å; K622-N625 PolarHBondContact O-N 3.46Å; K622-Q626 WeakPolarHBondContact O-CG 3.43Å; K622-Q626 PolarHBondContact O-N 3.41Å |
| 623 | M | 92 | Very high | 94.2 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 18% | 0.177 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 176.3 | -61.6 | -62.1 | 105.4 | 0 | 0 | 110.8 | L614 N617 D620 N625 Q626 W627 | L614-M623 HydrophobicContact CB-CB 4.49Å; L614-M623 HydrophobicContact CD1-CB 4.31Å; N617-M623 HydrophobicContact CB-CG 4.14Å; D620-M623 HydrophobicContact CB-CB 4.47Å; D620-M623 HydrophobicContact CB-CG 3.94Å; D620-M623 WeakPolarHBondContact O-CB 3.36Å; D620-M623 PolarHBondContact O-N 2.93Å; M623-N625 VanDerWaalsContact C-N 3.34Å; M623-N625 PolarHBondContact O-N 3.05Å; M623-Q626 PolarHBondContact O-N 3.03Å; M623-W627 PolarHBondContact O-N 3Å |
| 624 | H | 94.2 | Very high | 94.4 | Very high | 30 Ų | 30 | 62.8 Ų | 62.8 | 14% | 0.139 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 175.2 | -55.1 | -175.1 | 0 | 0 | 0 | 110.9 | I551 L614 I618 D620 K622 W627 R628 | I551-H624 WeakPolarHBondContact CG2-CE1 3.32Å; I551-H624 WeakPolarHBondContact CG2-NE2 3.38Å; L614-H624 VanDerWaalsContact CD1-CD2 3.49Å; L614-H624 WeakPolarHBondContact CD1-CD2 3.4Å; I618-H624 PolarHBondContact O-NE2 2.85Å; D620-H624 PolarHBondContact O-CD2 2.83Å; D620-H624 PolarHBondContact O-N 3.47Å; K622-H624 VanDerWaalsContact C-N 3.32Å; K622-H624 PolarHBondContact O-N 2.85Å; H624-W627 PolarHBondContact O-N 2.94Å; H624-R628 VanDerWaalsContact CB-NH1 3.34Å; H624-R628 WeakPolarHBondContact O-CB 3.44Å; H624-R628 VanDerWaalsContact O-CG 3.24Å; H624-R628 WeakPolarHBondContact O-CG 3.32Å; H624-R628 PolarHBondContact O-N 3.29Å |
| 625 | N | 94.6 | Very high | 94.6 | Very high | 93 Ų | 93 | 64.1 Ų | 64.1 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73.7 | -28.8 | -175.1 | -69.8 | -24.6 | 0 | 0 | 0 | 113.1 | P621 K622 M623 R628 L629 | P621-N625 WeakPolarHBondContact O-CB 3.32Å; P621-N625 VanDerWaalsContact O-CG 3.29Å; P621-N625 PolarHBondContact O-N 3.41Å; P621-N625 VanDerWaalsContact O-N 3.11Å; P621-N625 PolarHBondContact O-ND2 3.48Å; K622-N625 PolarHBondContact O-N 3.46Å; M623-N625 VanDerWaalsContact C-N 3.34Å; M623-N625 PolarHBondContact O-N 3.05Å; N625-R628 PolarHBondContact OD1-NH1 2.94Å; N625-L629 WeakPolarHBondContact O-CB 3.47Å; N625-L629 PolarHBondContact O-N 2.69Å; N625-L629 VanDerWaalsContact O-N 3.14Å |
| 626 | Q | 95.4 | Very high | 94.8 | Very high | 95 Ų | 95 | 65.5 Ų | 65.5 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.9 | -52.4 | 169.5 | -75.9 | 173.2 | -11.2 | 0 | 0 | 110.9 | K622 M623 R628 L629 S630 | K622-Q626 WeakPolarHBondContact O-CG 3.43Å; K622-Q626 PolarHBondContact O-N 3.41Å; M623-Q626 PolarHBondContact O-N 3.03Å; Q626-R628 PolarHBondContact O-N 2.83Å; Q626-L629 WeakPolarHBondContact O-CB 3.46Å; Q626-L629 PolarHBondContact O-N 3.21Å; Q626-S630 PolarHBondContact O-N 3.23Å; Q626-S630 PolarHBondContact O-OG 3.43Å |
| 627 | W | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 177.8 | 176.4 | 78.8 | 0 | 0 | 0 | 112.6 | T547 E548 I551 T563 I566 D610 L614 M623 H624 L629 S630 N631 | T547-W627 VanDerWaalsContact CB-CH2 3.44Å; T547-W627 HydrophobicContact CG2-CD2 4.38Å; T547-W627 HydrophobicContact CG2-CE3 4.35Å; T547-W627 HydrophobicContact CG2-CH2 3.58Å; T547-W627 HydrophobicContact CG2-CZ2 3.59Å; T547-W627 HydrophobicContact CG2-CZ3 3.97Å; E548-W627 HydrophobicContact CG-CZ3 4.41Å; I551-W627 HydrophobicContact CD1-CE3 4.22Å; I551-W627 HydrophobicContact CD1-CZ3 4.43Å; T563-W627 HydrophobicContact CG2-CZ2 3.99Å; I566-W627 HydrophobicContact CD1-CZ2 4Å; D610-W627 HydrophobicContact CB-CB 4.11Å; L614-W627 HydrophobicContact CD2-CB 4.24Å; L614-W627 HydrophobicContact CD2-CD2 4.33Å; L614-W627 HydrophobicContact CD2-CG 4.11Å; M623-W627 PolarHBondContact O-N 3Å; H624-W627 PolarHBondContact O-N 2.94Å; W627-L629 VanDerWaalsContact C-N 3.25Å; W627-L629 PolarHBondContact O-N 2.79Å; W627-S630 PolarHBondContact O-N 2.77Å; W627-S630 PolarHBondContact O-OG 3.14Å; W627-N631 HydrophobicContact CD2-CB 4.49Å; W627-N631 HydrophobicContact CH2-CB 4.32Å; W627-N631 VanDerWaalsContact CH2-ND2 3.29Å; W627-N631 WeakPolarHBondContact CH2-ND2 3.35Å; W627-N631 HydrophobicContact CZ2-CB 3.94Å; W627-N631 WeakPolarHBondContact CZ2-ND2 3.48Å; W627-N631 WeakPolarHBondContact O-CB 3.19Å; W627-N631 PolarHBondContact O-N 2.97Å |
| 628 | R | 96.8 | Very high | 95.1 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 32% | 0.317 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.6 | -39 | 172.9 | -76.7 | 170.4 | -173.3 | 134 | 9.6 | 112.3 | E548 H624 N625 Q626 R632 | E548-R628 WeakPolarHBondContact OE1-CD 3.43Å; E548-R628 WeakPolarHBondContact OE1-CG 3.33Å; E548-R628 IonicContact OE1-CZ 3.03Å; E548-R628 IonicContact OE1-NE 2.6Å; E548-R628 PolarHBondContact OE1-NE 3.44Å; E548-R628 IonicContact OE1-NH2 2.62Å; E548-R628 IonicContact OE2-CZ 3.74Å; E548-R628 IonicContact OE2-NE 3.89Å; E548-R628 PolarHBondContact OE2-NE 3.44Å; E548-R628 IonicContact OE2-NH2 3.66Å; E548-R628 PolarHBondContact OE2-NH2 2.51Å; H624-R628 VanDerWaalsContact CB-NH1 3.34Å; H624-R628 WeakPolarHBondContact O-CB 3.44Å; H624-R628 VanDerWaalsContact O-CG 3.24Å; H624-R628 WeakPolarHBondContact O-CG 3.32Å; H624-R628 PolarHBondContact O-N 3.29Å; N625-R628 PolarHBondContact OD1-NH1 2.94Å; Q626-R628 PolarHBondContact O-N 2.83Å; R628-R632 WeakPolarHBondContact O-CB 3.39Å; R628-R632 PolarHBondContact O-N 3.16Å |
| 629 | L | 97.3 | Very high | 95.1 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.3 | -48.8 | 179.7 | -179 | 59.7 | 0 | 0 | 0 | 111.8 | N625 Q626 W627 R632 N633 | N625-L629 WeakPolarHBondContact O-CB 3.47Å; N625-L629 PolarHBondContact O-N 2.69Å; N625-L629 VanDerWaalsContact O-N 3.14Å; Q626-L629 WeakPolarHBondContact O-CB 3.46Å; Q626-L629 PolarHBondContact O-N 3.21Å; W627-L629 VanDerWaalsContact C-N 3.25Å; W627-L629 PolarHBondContact O-N 2.79Å; L629-R632 PolarHBondContact O-N 2.9Å; L629-N633 PolarHBondContact O-N 2.97Å; L629-N633 PolarHBondContact O-ND2 3.33Å; L629-N633 PolarHBondContact O-OD1 3.43Å |
| 630 | S | 97.5 | Very high | 95.1 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68 | -37.7 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | D610 Q626 W627 N633 L634 | D610-S630 WeakPolarHBondContact OD2-CB 3.13Å; D610-S630 PolarHBondContact OD2-OG 2.92Å; Q626-S630 PolarHBondContact O-N 3.23Å; Q626-S630 PolarHBondContact O-OG 3.43Å; W627-S630 PolarHBondContact O-N 2.77Å; W627-S630 PolarHBondContact O-OG 3.14Å; S630-N633 PolarHBondContact O-N 2.93Å; S630-L634 WeakPolarHBondContact O-CB 3.44Å; S630-L634 PolarHBondContact O-N 3.22Å |
| 631 | N | 97.5 | Very high | 95 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 171.4 | -171.9 | 31.5 | 0 | 0 | 0 | 112.1 | S544 M607 W627 N633 L634 L635 | S544-N631 WeakPolarHBondContact CB-ND2 3.31Å; S544-N631 PolarHBondContact OG-ND2 3.49Å; M607-N631 HydrophobicContact CG-CB 4.2Å; W627-N631 HydrophobicContact CD2-CB 4.49Å; W627-N631 HydrophobicContact CH2-CB 4.32Å; W627-N631 VanDerWaalsContact CH2-ND2 3.29Å; W627-N631 WeakPolarHBondContact CH2-ND2 3.35Å; W627-N631 HydrophobicContact CZ2-CB 3.94Å; W627-N631 WeakPolarHBondContact CZ2-ND2 3.48Å; W627-N631 WeakPolarHBondContact O-CB 3.19Å; W627-N631 PolarHBondContact O-N 2.97Å; N631-N633 VanDerWaalsContact C-N 3.35Å; N631-N633 PolarHBondContact O-N 3.43Å; N631-L634 WeakPolarHBondContact O-CB 3.32Å; N631-L634 PolarHBondContact O-N 3.13Å; N631-L635 WeakPolarHBondContact O-CG 3.4Å; N631-L635 PolarHBondContact O-N 3.33Å |
| 632 | R | 97.3 | Very high | 94.9 | Very high | 156 Ų | 156 | 52.6 Ų | 52.6 | 59% | 0.589 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.1 | -37.1 | 175.1 | -172.6 | 175.3 | 66.2 | 105.4 | 2.7 | 112.6 | R628 L629 T636 | R628-R632 WeakPolarHBondContact O-CB 3.39Å; R628-R632 PolarHBondContact O-N 3.16Å; L629-R632 PolarHBondContact O-N 2.9Å; R632-T636 WeakPolarHBondContact O-CB 3.11Å; R632-T636 PolarHBondContact O-N 2.87Å; R632-T636 PolarHBondContact O-OG1 3.31Å |
| 633 | N | 97.3 | Very high | 94.5 | Very high | 77 Ų | 77 | 52.1 Ų | 52.1 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 175 | -66.3 | -15.7 | 0 | 0 | 0 | 111.3 | T603 L629 S630 N631 T636 A637 | T603-N633 HydrophobicContact CG2-CB 4.47Å; L629-N633 PolarHBondContact O-N 2.97Å; L629-N633 PolarHBondContact O-ND2 3.33Å; L629-N633 PolarHBondContact O-OD1 3.43Å; S630-N633 PolarHBondContact O-N 2.93Å; N631-N633 VanDerWaalsContact C-N 3.35Å; N631-N633 PolarHBondContact O-N 3.43Å; N633-T636 WeakPolarHBondContact O-CB 3.45Å; N633-T636 PolarHBondContact O-N 2.97Å; N633-A637 PolarHBondContact O-N 3.36Å |
| 634 | L | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.5 | 174.4 | 153.2 | 0 | 0 | 0 | 112.5 | M540 I566 A570 L600 T603 I604 M607 S630 N631 T636 A637 I638 | M540-L634 HydrophobicContact CE-CD2 3.29Å; I566-L634 HydrophobicContact CG2-CD2 3.99Å; A570-L634 HydrophobicContact CB-CD1 4.47Å; L600-L634 HydrophobicContact CD1-CG 4.31Å; T603-L634 WeakPolarHBondContact OG1-CA 3.43Å; T603-L634 WeakPolarHBondContact OG1-CB 3.36Å; I604-L634 HydrophobicContact CG1-CD1 4.04Å; M607-L634 HydrophobicContact CB-CD1 4.04Å; M607-L634 HydrophobicContact CE-CD1 3.93Å; M607-L634 HydrophobicContact CG-CD1 4.22Å; S630-L634 WeakPolarHBondContact O-CB 3.44Å; S630-L634 PolarHBondContact O-N 3.22Å; N631-L634 WeakPolarHBondContact O-CB 3.32Å; N631-L634 PolarHBondContact O-N 3.13Å; L634-T636 VanDerWaalsContact C-N 3.32Å; L634-T636 PolarHBondContact O-N 3.41Å; L634-A637 PolarHBondContact O-N 3.07Å; L634-I638 HydrophobicContact CD2-CD1 4.35Å; L634-I638 PolarHBondContact O-N 3.25Å |
| 635 | L | 96.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 172.9 | -70 | 167.5 | 0 | 0 | 0 | 111.8 | M540 L541 N631 A637 I638 N639 | M540-L635 HydrophobicContact CB-CD2 3.99Å; L541-L635 HydrophobicContact CD2-CD1 3.87Å; L541-L635 HydrophobicContact CD2-CD2 4.27Å; L541-L635 HydrophobicContact CG-CD2 4.43Å; N631-L635 WeakPolarHBondContact O-CG 3.4Å; N631-L635 PolarHBondContact O-N 3.33Å; L635-A637 PolarHBondContact O-N 2.8Å; L635-I638 PolarHBondContact O-N 3.46Å; L635-N639 PolarHBondContact O-N 3.22Å |
| 636 | T | 95.9 | Very high | 92.6 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 175.9 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | R632 N633 L634 I638 N639 S640 | R632-T636 WeakPolarHBondContact O-CB 3.11Å; R632-T636 PolarHBondContact O-N 2.87Å; R632-T636 PolarHBondContact O-OG1 3.31Å; N633-T636 WeakPolarHBondContact O-CB 3.45Å; N633-T636 PolarHBondContact O-N 2.97Å; L634-T636 VanDerWaalsContact C-N 3.32Å; L634-T636 PolarHBondContact O-N 3.41Å; T636-I638 VanDerWaalsContact C-N 3.31Å; T636-I638 PolarHBondContact O-N 3.24Å; T636-N639 PolarHBondContact O-N 2.96Å; T636-S640 PolarHBondContact O-N 3.38Å; T636-S640 PolarHBondContact O-OG 3.45Å |
| 637 | A | 96 | Very high | 90.8 | Very high | 12 Ų | 12 | 49 Ų | 49 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L600 T603 N633 L634 L635 S640 I641 | L600-A637 HydrophobicContact CB-CB 4.29Å; L600-A637 HydrophobicContact CD1-CB 4.27Å; T603-A637 HydrophobicContact CG2-CB 4.41Å; N633-A637 PolarHBondContact O-N 3.36Å; L634-A637 PolarHBondContact O-N 3.07Å; L635-A637 PolarHBondContact O-N 2.8Å; A637-S640 WeakPolarHBondContact O-CB 3.37Å; A637-S640 PolarHBondContact O-N 3.28Å; A637-I641 WeakPolarHBondContact O-CG1 3.38Å; A637-I641 PolarHBondContact O-N 2.87Å |
| 638 | I | 95 | Very high | 88.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 175.3 | -69.5 | 175.6 | 0 | 0 | 0 | 111.6 | I533 E537 M540 L600 L634 L635 T636 S640 I641 K642 | I533-I638 HydrophobicContact CG2-CG2 4.04Å; E537-I638 HydrophobicContact CB-CG2 4.06Å; E537-I638 HydrophobicContact CG-CG2 4.26Å; M540-I638 HydrophobicContact CE-CD1 3.35Å; M540-I638 HydrophobicContact SD-CD1 3.42Å; M540-I638 WeakPolarHBondContact SD-CD1 3.45Å; L600-I638 HydrophobicContact CD1-CD1 4.24Å; L600-I638 HydrophobicContact CD1-CG1 3.82Å; L600-I638 HydrophobicContact CD2-CG1 4.01Å; L634-I638 HydrophobicContact CD2-CD1 4.35Å; L634-I638 PolarHBondContact O-N 3.25Å; L635-I638 PolarHBondContact O-N 3.46Å; T636-I638 VanDerWaalsContact C-N 3.31Å; T636-I638 PolarHBondContact O-N 3.24Å; I638-S640 VanDerWaalsContact C-N 3.31Å; I638-S640 PolarHBondContact O-N 3.27Å; I638-I641 WeakPolarHBondContact O-CB 3.47Å; I638-I641 PolarHBondContact O-N 3.44Å; I638-I641 VanDerWaalsContact O-N 3.17Å; I638-K642 WeakPolarHBondContact O-CG 3.34Å; I638-K642 PolarHBondContact O-N 3.15Å |
| 639 | N | 91 | Very high | 86 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 173.4 | -175.6 | 23.8 | 0 | 0 | 0 | 112 | L635 T636 K642 Q643 | L635-N639 PolarHBondContact O-N 3.22Å; T636-N639 PolarHBondContact O-N 2.96Å; N639-K642 PolarHBondContact O-N 3.09Å; N639-Q643 WeakPolarHBondContact O-CG 3.28Å; N639-Q643 PolarHBondContact O-N 3.45Å; N639-Q643 PolarHBondContact O-NE2 3.03Å; N639-Q643 PolarHBondContact OD1-NE2 3.19Å |
| 640 | S | 90 | Very high | 82.9 | Confident | 59 Ų | 59 | 59.8 Ų | 59.8 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 171 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | T636 A637 I638 K642 Q643 V644 | T636-S640 PolarHBondContact O-N 3.38Å; T636-S640 PolarHBondContact O-OG 3.45Å; A637-S640 WeakPolarHBondContact O-CB 3.37Å; A637-S640 PolarHBondContact O-N 3.28Å; I638-S640 VanDerWaalsContact C-N 3.31Å; I638-S640 PolarHBondContact O-N 3.27Å; S640-K642 PolarHBondContact O-N 3.4Å; S640-Q643 WeakPolarHBondContact O-CB 3.37Å; S640-Q643 PolarHBondContact O-N 2.85Å; S640-Q643 VanDerWaalsContact O-N 3.17Å; S640-V644 PolarHBondContact O-N 2.91Å |
| 641 | I | 91.7 | Very high | 79.7 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 174.3 | -79.5 | 159.4 | 0 | 0 | 0 | 111.5 | I533 V573 I577 A596 L600 A637 I638 Q643 V644 I645 | I533-I641 HydrophobicContact CD1-CG2 4.06Å; I533-I641 HydrophobicContact CG2-CG2 4.44Å; V573-I641 HydrophobicContact CG1-CD1 4.29Å; V573-I641 HydrophobicContact CG1-CG2 4.21Å; I577-I641 HydrophobicContact CD1-CD1 3.61Å; I577-I641 HydrophobicContact CD1-CG1 3.94Å; I577-I641 HydrophobicContact CD1-CG2 4.27Å; I577-I641 HydrophobicContact CG2-CG2 3.74Å; A596-I641 HydrophobicContact CB-CG1 3.73Å; L600-I641 HydrophobicContact CB-CD1 3.6Å; L600-I641 HydrophobicContact CD2-CD1 3.42Å; L600-I641 VanDerWaalsContact CD2-CD1 3.42Å; L600-I641 HydrophobicContact CG-CD1 4.09Å; A637-I641 WeakPolarHBondContact O-CG1 3.38Å; A637-I641 PolarHBondContact O-N 2.87Å; I638-I641 WeakPolarHBondContact O-CB 3.47Å; I638-I641 PolarHBondContact O-N 3.44Å; I638-I641 VanDerWaalsContact O-N 3.17Å; I641-Q643 PolarHBondContact O-N 3.46Å; I641-V644 PolarHBondContact O-N 3.01Å; I641-I645 HydrophobicContact CG2-CD1 3.67Å; I641-I645 WeakPolarHBondContact O-CG1 3.49Å; I641-I645 PolarHBondContact O-N 2.81Å |
| 642 | K | 88.8 | Confident | 76.8 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.2 | -35.6 | 177 | -69.1 | 170.7 | 65.9 | -166.9 | 0 | 112.2 | I533 E537 I638 N639 S640 I645 S646 | I533-K642 HydrophobicContact CB-CG 4.32Å; I533-K642 HydrophobicContact CG2-CD 4.15Å; I533-K642 HydrophobicContact CG2-CG 3.52Å; E537-K642 IonicContact OE1-NZ 3.73Å; E537-K642 WeakPolarHBondContact OE2-CD 3.49Å; E537-K642 IonicContact OE2-NZ 2.88Å; E537-K642 PolarHBondContact OE2-NZ 2.99Å; I638-K642 WeakPolarHBondContact O-CG 3.34Å; I638-K642 PolarHBondContact O-N 3.15Å; N639-K642 PolarHBondContact O-N 3.09Å; S640-K642 PolarHBondContact O-N 3.4Å; K642-I645 PolarHBondContact O-N 3.46Å; K642-S646 VanDerWaalsContact O-CB 3.27Å; K642-S646 WeakPolarHBondContact O-CB 3.38Å; K642-S646 PolarHBondContact O-N 3.41Å; K642-S646 PolarHBondContact O-OG 3.04Å |
| 643 | Q | 85.9 | Confident | 73.9 | Confident | 122 Ų | 122 | 67 Ų | 67 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -73.3 | -24.6 | 178 | -65.8 | 166 | 42.4 | 0 | 0 | 113.5 | N639 S640 I641 | N639-Q643 WeakPolarHBondContact O-CG 3.28Å; N639-Q643 PolarHBondContact O-N 3.45Å; N639-Q643 PolarHBondContact O-NE2 3.03Å; N639-Q643 PolarHBondContact OD1-NE2 3.19Å; S640-Q643 WeakPolarHBondContact O-CB 3.37Å; S640-Q643 PolarHBondContact O-N 2.85Å; S640-Q643 VanDerWaalsContact O-N 3.17Å; I641-Q643 PolarHBondContact O-N 3.46Å |
| 644 | V | 84.9 | Confident | 71 | Confident | 30 Ų | 30 | 67.1 Ų | 67.1 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -77.9 | -30.9 | 174.6 | 173.9 | 0 | 0 | 0 | 0 | 112 | R592 M593 A596 S640 I641 | R592-V644 HydrophobicContact CB-CG1 3.93Å; M593-V644 HydrophobicContact CG-CG1 3.98Å; A596-V644 HydrophobicContact CB-CG2 4.41Å; S640-V644 PolarHBondContact O-N 2.91Å; I641-V644 PolarHBondContact O-N 3.01Å |
| 645 | I | 81.8 | Confident | 68.2 | Low | 17 Ų | 17 | 71.8 Ų | 71.8 | 9% | 0.087 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -95.2 | -28 | -175.1 | -56.5 | 168.6 | 0 | 0 | 0 | 111.8 | A529 N530 I533 I577 M593 I641 K642 | A529-I645 HydrophobicContact CB-CG2 4.34Å; N530-I645 PolarHBondContact ND2-O 2.79Å; N530-I645 WeakPolarHBondContact OD1-CB 3.46Å; N530-I645 WeakPolarHBondContact OD1-CG2 3.33Å; I533-I645 HydrophobicContact CD1-CD1 3.37Å; I577-I645 HydrophobicContact CB-CD1 4.37Å; I577-I645 HydrophobicContact CG2-CD1 3.45Å; I577-I645 VanDerWaalsContact CG2-CD1 3.45Å; M593-I645 HydrophobicContact CE-CD1 4.12Å; M593-I645 HydrophobicContact CE-CG1 3.64Å; I641-I645 HydrophobicContact CG2-CD1 3.67Å; I641-I645 WeakPolarHBondContact O-CG1 3.49Å; I641-I645 PolarHBondContact O-N 2.81Å; K642-I645 PolarHBondContact O-N 3.46Å |
| 646 | S | 75.1 | Confident | 65.4 | Low | 53 Ų | 53 | 77.4 Ų | 77.4 | 37% | 0.371 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -58.9 | 128.3 | 169.7 | -65.7 | 0 | 0 | 0 | 0 | 109.7 | N530 K642 S648 | N530-S646 PolarHBondContact OD1-N 2.84Å; K642-S646 VanDerWaalsContact O-CB 3.27Å; K642-S646 WeakPolarHBondContact O-CB 3.38Å; K642-S646 PolarHBondContact O-N 3.41Å; K642-S646 PolarHBondContact O-OG 3.04Å; S646-S648 PolarHBondContact O-N 3.36Å |
| 647 | P | 57.1 | Low | 62.6 | Low | 89 Ų | 89 | 79.6 Ų | 79.6 | 58% | 0.578 | 42% | 0.418 | S | S | * | . | trans | -62.2 | 124.3 | -176.5 | 26 | -34.5 | 0 | 0 | 0 | 110.1 | F649 | P647-F649 HydrophobicContact CB-CD2 3.81Å; P647-F649 HydrophobicContact CB-CE2 3.74Å; P647-F649 HydrophobicContact CG-CD2 4.11Å; P647-F649 HydrophobicContact CG-CE2 4.17Å; P647-F649 PolarHBondContact O-N 3.08Å | ||
| 648 | S | 47.3 | Very low | 59.8 | Low | 86 Ų | 86 | 86.3 Ų | 86.3 | 60% | 0.601 | 45% | 0.447 | S | S | * | . | trans | -78.4 | 53.7 | -164.9 | -42.7 | 0 | 0 | 0 | 0 | 113.7 | S646 N650 | S646-S648 PolarHBondContact O-N 3.36Å; S648-N650 PolarHBondContact O-N 3.42Å | ||
| 649 | F | 44.4 | Very low | 57 | Low | 155 Ų | 155 | 92 Ų | 92 | 68% | 0.68 | 47% | 0.474 | S | S | * | . | trans | -72 | -10.8 | 178.8 | -75.1 | -68.8 | 0 | 0 | 0 | 114.2 | P647 N651 | P647-F649 HydrophobicContact CB-CD2 3.81Å; P647-F649 HydrophobicContact CB-CE2 3.74Å; P647-F649 HydrophobicContact CG-CD2 4.11Å; P647-F649 HydrophobicContact CG-CE2 4.17Å; P647-F649 PolarHBondContact O-N 3.08Å; F649-N651 PolarHBondContact O-N 3.41Å | ||
| 650 | N | 31.9 | Very low | 54.4 | Low | 157 Ų | 157 | 93.7 Ų | 93.7 | 84% | 0.84 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -77.4 | 110 | 170.5 | -72.9 | -24.7 | 0 | 0 | 0 | 110.2 | S648 | S648-N650 PolarHBondContact O-N 3.42Š|
| 651 | N | 31 | Very low | 51.6 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | trans | 70.8 | 68.5 | -179.2 | -70.4 | -25.9 | 0 | 0 | 0 | 117.8 | F649 I653 N654 | F649-N651 PolarHBondContact O-N 3.41Å; N651-I653 PolarHBondContact O-N 3.49Å; N651-I653 VanDerWaalsContact O-N 3.13Å; N651-N654 HydrophobicContact CB-CB 4.46Å | ||
| 652 | P | 36.4 | Very low | 48.5 | Very low | 91 Ų | 91 | 106.6 Ų | 106.6 | 59% | 0.591 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10.3 | 160 | 29.3 | -36.5 | 0 | 0 | 0 | 113.9 | Y656 | P652-Y656 WeakPolarHBondContact O-CD2 3.36Š|
| 653 | I | 37.6 | Very low | 45.8 | Very low | 130 Ų | 130 | 112.8 Ų | 112.8 | 67% | 0.667 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -44.7 | -179.7 | -66.4 | 173.9 | 0 | 0 | 0 | 112 | N651 H657 | N651-I653 PolarHBondContact O-N 3.49Å; N651-I653 VanDerWaalsContact O-N 3.13Å; I653-H657 PolarHBondContact O-N 3.22Å |
| 654 | N | 35.9 | Very low | 43 | Very low | 80 Ų | 80 | 112.8 Ų | 112.8 | 43% | 0.428 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.1 | -40.1 | -171.7 | -73.9 | 18.7 | 0 | 0 | 0 | 113 | N651 Y656 H657 E658 | N651-N654 HydrophobicContact CB-CB 4.46Å; N654-Y656 VanDerWaalsContact C-N 3.28Å; N654-Y656 PolarHBondContact O-N 3.28Å; N654-H657 PolarHBondContact O-N 3.44Å; N654-E658 PolarHBondContact O-N 2.98Å |
| 655 | Y | 38.5 | Very low | 40.3 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 39% | 0.388 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.2 | -35 | -175 | -157.7 | -110.5 | 0 | 0 | 0 | 112.9 | R592 H659 | R592-Y655 PolarHBondContact NH1-OH 3.24Å; Y655-H659 AromaticContact CE2-CD2 3.91Å |
| 656 | Y | 36.8 | Very low | 37.8 | Very low | 145 Ų | 145 | 124 Ų | 124 | 57% | 0.569 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.7 | -23.6 | 172.6 | -77.5 | -82.9 | 0 | 0 | 0 | 113.4 | P652 N654 Y660 V1072 | P652-Y656 WeakPolarHBondContact O-CD2 3.36Å; N654-Y656 VanDerWaalsContact C-N 3.28Å; N654-Y656 PolarHBondContact O-N 3.28Å; Y656-Y660 HydrophobicContact CD1-CD2 4.4Å; Y656-V1072 HydrophobicContact CE1-CG1 4.4Å |
| 657 | H | 38 | Very low | 35.5 | Very low | 122 Ų | 122 | 127 Ų | 127 | 57% | 0.565 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -85.1 | -38.4 | -177.9 | -154.7 | 57.4 | 0 | 0 | 0 | 112.8 | I653 N654 H661 | I653-H657 PolarHBondContact O-N 3.22Å; N654-H657 PolarHBondContact O-N 3.44Å; H657-H661 AromaticContact CE1-CD2 3.78Å; H657-H661 AromaticContact CE1-NE2 3.71Å; H657-H661 AromaticContact ND1-CD2 3.75Å; H657-H661 AromaticContact ND1-NE2 3.86Å |
| 658 | E | 36.1 | Very low | 34.3 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 71% | 0.71 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -76 | -33.3 | 180 | -69.2 | -175.5 | 115.4 | 0 | 0 | 113.2 | N654 | N654-E658 PolarHBondContact O-N 2.98Å |
| 659 | H | 37.7 | Very low | 33.3 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 55% | 0.551 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -100.9 | -9.9 | -171.8 | -74.4 | -64 | 0 | 0 | 0 | 116.7 | Y655 | Y655-H659 AromaticContact CE2-CD2 3.91Å |
| 660 | Y | 35.6 | Very low | 32.7 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 43% | 0.427 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -120.6 | 10 | -172.9 | -72 | -77.3 | 0 | 0 | 0 | 116.9 | Y656 H662 H1073 | Y656-Y660 HydrophobicContact CD1-CD2 4.4Å; Y660-H662 VanDerWaalsContact C-N 3.28Å; Y660-H662 PolarHBondContact O-N 3.17Å; Y660-H1073 AromaticContact CE1-CE1 3.95Å; Y660-H1073 AromaticContact CZ-CE1 3.94Å; Y660-H1073 PolarHBondContact OH-CE1 2.91Å |
| 661 | H | 31.2 | Very low | 32.5 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 67% | 0.671 | 67% | 0.673 | S | S | * | * | trans | -87.5 | 45.4 | 174.3 | -98.6 | -63.2 | 0 | 0 | 0 | 114.8 | H657 | H657-H661 AromaticContact CE1-CD2 3.78Å; H657-H661 AromaticContact CE1-NE2 3.71Å; H657-H661 AromaticContact ND1-CD2 3.75Å; H657-H661 AromaticContact ND1-NE2 3.86Å | ||
| 662 | H | 27.6 | Very low | 32.5 | Very low | 186 Ų | 186 | 134 Ų | 134 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | trans | -125.4 | 61.6 | 173.3 | -85.1 | -9.8 | 0 | 0 | 0 | 113.6 | Y660 | Y660-H662 VanDerWaalsContact C-N 3.28Å; Y660-H662 PolarHBondContact O-N 3.17Å | ||
| 663 | H | 30.2 | Very low | 32.2 | Very low | 177 Ų | 177 | 138 Ų | 138 | 82% | 0.819 | 69% | 0.694 | S | S | * | * | trans | -110.6 | 117 | 156.3 | -107.7 | -55 | 0 | 0 | 0 | 110 | L665 | H663-L665 PolarHBondContact O-N 2.97Š| ||
| 664 | P | 27.2 | Very low | 31.8 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | trans | -77 | 93.6 | 175.1 | 30.6 | -32.9 | 0 | 0 | 0 | 109.9 | S666 | P664-S666 PolarHBondContact O-N 3.15Š| ||
| 665 | L | 28.5 | Very low | 31.5 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 88% | 0.88 | 71% | 0.712 | S | S | * | * | trans | -68.1 | 105.3 | 173.1 | -80.6 | 171.1 | 0 | 0 | 0 | 110.3 | H663 | H663-L665 PolarHBondContact O-N 2.97Š| ||
| 666 | S | 30.5 | Very low | 31 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -59.9 | 140 | 174.5 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | P664 H668 | P664-S666 PolarHBondContact O-N 3.15Å; S666-H668 PolarHBondContact O-N 3.1Å | ||
| 667 | V | 26.3 | Very low | 30.7 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | trans | -72.9 | 113.8 | -172.5 | 178.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 668 | H | 31.1 | Very low | 30.1 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | trans | -129.4 | 126.6 | 150.8 | -104.6 | -91.3 | 0 | 0 | 0 | 110.7 | S666 | S666-H668 PolarHBondContact O-N 3.1Š| ||
| 669 | K | 27.5 | Very low | 29.7 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | -82.2 | 132.1 | -178.5 | -60.9 | 173.1 | 178.5 | 175.1 | 0 | 110.1 | ||||
| 670 | N | 30.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | 165.9 | 143.5 | 117.2 | -82.1 | -17.8 | 0 | 0 | 0 | 112 | |||||
| 671 | G | 28.5 | Very low | 28.9 | Very low | 64 Ų | 64 | 140.2 Ų | 140.2 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | 103.6 | 78.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 672 | I | 30.4 | Very low | 28.8 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | 65.5 | 122.5 | 126.4 | -61.8 | 163.9 | 0 | 0 | 0 | 119.7 | |||||
| 673 | H | 29.8 | Very low | 28.9 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 63.1 | 143.3 | 163.5 | -67.6 | -47.8 | 0 | 0 | 0 | 118.1 | ||||
| 674 | S | 30.6 | Very low | 28.6 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | cis | -154.7 | 165.3 | -9.6 | -100.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 675 | T | 28.9 | Very low | 28.7 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 131.4 | -176.7 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 676 | N | 28.4 | Very low | 28.5 | Very low | 174 Ų | 174 | 135 Ų | 135 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -82.3 | 139.2 | 164.5 | -86.1 | -18.9 | 0 | 0 | 0 | 111 | ||||
| 677 | T | 30.1 | Very low | 28.5 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | -128.2 | 129.3 | 178 | -47.2 | 0 | 0 | 0 | 0 | 109.9 | I679 | T677-I679 HydrophobicContact CG2-CG1 4.28Š| ||
| 678 | S | 25.9 | Very low | 28.5 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -87.7 | 127.3 | 172.5 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 679 | I | 28.2 | Very low | 28.5 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -135.7 | 131.6 | 172.3 | -64.6 | -177.1 | 0 | 0 | 0 | 109.9 | T677 | T677-I679 HydrophobicContact CG2-CG1 4.28Š| ||
| 680 | S | 28 | Very low | 28.5 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -81.6 | 145.7 | 170.6 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 681 | S | 27.1 | Very low | 28.5 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -61.8 | 134 | -177.2 | 53.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 682 | N | 29.7 | Very low | 28.5 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | -165.2 | 172.3 | 116.8 | -96.3 | -25 | 0 | 0 | 0 | 111.8 | |||||
| 683 | S | 28.6 | Very low | 28.5 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -96.2 | 161.8 | -149.7 | -152.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 684 | C | 24 | Very low | 28.6 | Very low | 104 Ų | 104 | 135 Ų | 135 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | trans | 81 | 122.8 | 158.5 | -64.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 685 | N | 29.6 | Very low | 28.5 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | 87.3 | 129.2 | 148.2 | -61.1 | -18.6 | 0 | 0 | 0 | 120.7 | ||||
| 686 | N | 24.7 | Very low | 28.4 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -80.1 | 152 | 176.7 | -62.5 | -54.3 | 0 | 0 | 0 | 112.4 | ||||
| 687 | I | 30.3 | Very low | 28.5 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | -170.2 | 147.6 | 124.5 | -97.2 | 152.7 | 0 | 0 | 0 | 109.3 | |||||
| 688 | H | 27.7 | Very low | 28.3 | Very low | 177 Ų | 177 | 132 Ų | 132 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | -75.7 | 149.1 | 178.7 | -61.9 | -32.5 | 0 | 0 | 0 | 113.1 | ||||
| 689 | N | 29.3 | Very low | 28.5 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | -171.8 | 171.1 | 98.2 | -127.2 | -39.1 | 0 | 0 | 0 | 115.1 | |||||
| 690 | N | 27.6 | Very low | 28.3 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | trans | -88.3 | 154.1 | -173.7 | -57.1 | -51.5 | 0 | 0 | 0 | 114.9 | ||||
| 691 | N | 30.3 | Very low | 28.5 | Very low | 139 Ų | 139 | 135 Ų | 135 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | 169.6 | 120.2 | 108.2 | -87.4 | -37 | 0 | 0 | 0 | 116.3 | |||||
| 692 | N | 29.6 | Very low | 28.6 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | 51.8 | 141.9 | 129.7 | -56.4 | -16.6 | 0 | 0 | 0 | 125.2 | |||||
| 693 | N | 30.9 | Very low | 28.3 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | 77.9 | 145.7 | 149.8 | -65.8 | -9.9 | 0 | 0 | 0 | 119.9 | ||||
| 694 | S | 30 | Very low | 28.3 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | cis | -175.8 | 160.7 | -14.5 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 695 | V | 28.9 | Very low | 28.5 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 84 | 97.4 | 144.7 | 164.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 696 | A | 27.8 | Very low | 28.3 | Very low | 88 Ų | 88 | 136.8 Ų | 136.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 77.8 | 160.6 | 113.2 | 0 | 0 | 0 | 0 | 0 | 126 | |||||
| 697 | S | 30.8 | Very low | 28.5 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 86.3 | 113.5 | 169.8 | -41.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 698 | S | 25.5 | Very low | 28.1 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | cis | 84.1 | 107.7 | 20.3 | -41.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 699 | K | 30 | Very low | 28.1 | Very low | 218 Ų | 218 | 138.4 Ų | 138.4 | 95% | 0.948 | 79% | 0.788 | S | S | * | * | trans | -161.9 | 157.3 | 146.9 | -114.9 | 170.5 | -173.8 | 176.9 | 0 | 111.5 | ||||
| 700 | S | 24.5 | Very low | 27.8 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -136.2 | 155.2 | -171.5 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 701 | S | 30.6 | Very low | 27.8 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 159.2 | 149.2 | 154.6 | -76.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 702 | Q | 30.1 | Very low | 27.4 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | cis | -151.6 | 155.7 | -3.7 | -131.9 | 173.2 | -2.2 | 0 | 0 | 108.6 | ||||
| 703 | A | 23.2 | Very low | 27.3 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | trans | -101.1 | 154.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 704 | S | 29.4 | Very low | 27 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | -152 | 148.3 | 163 | -80.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 705 | N | 26.9 | Very low | 26.8 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -112.8 | 151.3 | -154.1 | -82.8 | -8.9 | 0 | 0 | 0 | 114.4 | ||||
| 706 | N | 25.5 | Very low | 26.6 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | 55.8 | 115.6 | 146.4 | -53.9 | -6.2 | 0 | 0 | 0 | 118.8 | ||||
| 707 | K | 28.7 | Very low | 26.4 | Very low | 202 Ų | 202 | 145.4 Ų | 145.4 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | -170.2 | 139.1 | 84 | -99.4 | -177 | 179 | -178.7 | 0 | 112.9 | |||||
| 708 | E | 22.3 | Very low | 26.1 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -78 | 137.5 | 163.3 | -58.9 | 157.9 | 112.9 | 0 | 0 | 109.9 | ||||
| 709 | I | 27.6 | Very low | 26.1 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -137.1 | 111.2 | 142.3 | -61.5 | -175.3 | 0 | 0 | 0 | 106.1 | ||||
| 710 | T | 23.6 | Very low | 25.8 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -92.7 | 129.6 | 171.8 | 44.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 711 | S | 26.5 | Very low | 25.8 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -142.6 | 94.3 | 171.6 | 61.8 | 0 | 0 | 0 | 0 | 109.8 | I713 | S711-I713 PolarHBondContact O-N 3.37Š| ||
| 712 | S | 23 | Very low | 25.5 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -65.4 | 125 | -179.4 | -44.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 713 | I | 27.7 | Very low | 25.5 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | -119.2 | 120 | 170.9 | -60.7 | 177.9 | 0 | 0 | 0 | 108 | S711 L715 | S711-I713 PolarHBondContact O-N 3.37Å; I713-L715 PolarHBondContact O-N 3.15Å | ||
| 714 | P | 24.6 | Very low | 25.7 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -77 | 108.6 | 178.1 | 30.2 | -32.4 | 0 | 0 | 0 | 110.6 | R716 | P714-R716 PolarHBondContact O-N 3.03Š| ||
| 715 | L | 26.3 | Very low | 25.5 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | -74 | 86.9 | 175.4 | -81.2 | 165.9 | 0 | 0 | 0 | 111.1 | I713 M718 | I713-L715 PolarHBondContact O-N 3.15Å; L715-M718 HydrophobicContact CD2-CE 4.06Å | ||
| 716 | R | 24 | Very low | 25.6 | Very low | 241 Ų | 241 | 141 Ų | 141 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | -103.9 | 5.8 | 168.3 | -152.7 | 179.4 | 177.6 | 172.3 | 0.7 | 113.5 | P714 | P714-R716 PolarHBondContact O-N 3.03Š| ||
| 717 | E | 23.7 | Very low | 25.5 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -130.1 | 76.7 | -175.9 | -66.6 | -177.3 | 152.9 | 0 | 0 | 111.1 | ||||
| 718 | M | 24.2 | Very low | 25.3 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 71% | 0.714 | 71% | 0.712 | S | S | * | * | trans | -162.7 | 44.7 | 162.6 | -127.8 | 166.7 | -79.6 | 0 | 0 | 113.9 | L715 E720 | L715-M718 HydrophobicContact CD2-CE 4.06Å; M718-E720 PolarHBondContact O-N 3.45Å | ||
| 719 | Q | 25.1 | Very low | 25.6 | Very low | 204 Ų | 204 | 134.3 Ų | 134.3 | 95% | 0.953 | 71% | 0.713 | S | S | * | * | trans | -89.7 | 29.1 | 175.9 | -154 | 169.2 | 3.4 | 0 | 0 | 112.6 | ||||
| 720 | E | 23.8 | Very low | 25.5 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | trans | -140.3 | 49.4 | -168 | -150.7 | 168.4 | -116.3 | 0 | 0 | 112.6 | M718 | M718-E720 PolarHBondContact O-N 3.45Š| ||
| 721 | I | 24.2 | Very low | 25.5 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | trans | -117.7 | 72.7 | 159.1 | -51.8 | -178.2 | 0 | 0 | 0 | 107.8 | ||||
| 722 | S | 25.1 | Very low | 25.4 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 55% | 0.545 | 72% | 0.722 | S | S | . | * | trans | -71.4 | 141.3 | 167.1 | -168.4 | 0 | 0 | 0 | 0 | 109.4 | T724 | S722-T724 PolarHBondContact O-N 2.91Å; S722-T724 PolarHBondContact O-OG1 3.05Å | ||
| 723 | I | 29.4 | Very low | 25.5 | Very low | 74 Ų | 74 | 142.3 Ų | 142.3 | 38% | 0.379 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -82.4 | 67.2 | 171.4 | -52.7 | 174.2 | 0 | 0 | 0 | 107.6 | R405 V726 | R405-I723 VanDerWaalsContact CZ-O 3.3Å; R405-I723 PolarHBondContact NH1-O 3.44Å; R405-I723 PolarHBondContact NH2-O 2.95Å; I723-V726 HydrophobicContact CG2-CG2 3.88Å |
| 724 | T | 28.7 | Very low | 25.5 | Very low | 60 Ų | 60 | 142.7 Ų | 142.7 | 37% | 0.368 | 72% | 0.722 | S | S | . | * | trans | -88.8 | -45.1 | 176.1 | 29 | 0 | 0 | 0 | 0 | 111.8 | R405 S722 V726 | R405-T724 PolarHBondContact NH1-O 3.4Å; S722-T724 PolarHBondContact O-N 2.91Å; S722-T724 PolarHBondContact O-OG1 3.05Å; T724-V726 PolarHBondContact O-N 3.48Å | ||
| 725 | D | 25.5 | Very low | 25.4 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 54.3 | -159.5 | -52.9 | -66.6 | 0 | 0 | 0 | 113.8 | ||
| 726 | V | 27.4 | Very low | 25.3 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 52% | 0.515 | 72% | 0.715 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.6 | -2.3 | 176.7 | -166 | 0 | 0 | 0 | 0 | 112.6 | I723 T724 | I723-V726 HydrophobicContact CG2-CG2 3.88Å; T724-V726 PolarHBondContact O-N 3.48Å |
| 727 | S | 24.8 | Very low | 25.5 | Very low | 83 Ų | 83 | 138.2 Ų | 138.2 | 58% | 0.58 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -103.8 | -14.6 | -176.5 | 52.4 | 0 | 0 | 0 | 0 | 116.4 | ||
| 728 | H | 25 | Very low | 25.5 | Very low | 132 Ų | 132 | 136 Ų | 136 | 61% | 0.611 | 70% | 0.704 | S | S | * | * | trans | -131.3 | 97.6 | -172 | -73.8 | -32.5 | 0 | 0 | 0 | 114 | E409 S414 | E409-H728 IonicContact OE1-CE1 3.71Å; E409-H728 IonicContact OE1-NE2 3.7Å; E409-H728 PolarHBondContact OE1-NE2 3.12Å; E409-H728 IonicContact OE2-NE2 2.82Å; E409-H728 PolarHBondContact OE2-NE2 3.43Å; S414-H728 WeakPolarHBondContact CB-NE2 3.15Å; S414-H728 PolarHBondContact OG-NE2 2.77Å | ||
| 729 | I | 28.3 | Very low | 25.7 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | trans | -141.5 | 128.1 | 153.3 | -58.6 | -176.7 | 0 | 0 | 0 | 108.3 | ||||
| 730 | P | 23.9 | Very low | 25.8 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | -82.5 | 156.3 | 179.4 | 33 | -35.2 | 0 | 0 | 0 | 113.7 | ||||
| 731 | Y | 24.7 | Very low | 25.8 | Very low | 239 Ų | 239 | 127.7 Ų | 127.7 | 94% | 0.937 | 68% | 0.682 | S | S | * | * | trans | -61.2 | 133.4 | -178.3 | -85.2 | -99.1 | 0 | 0 | 0 | 114.6 | ||||
| 732 | S | 25.2 | Very low | 26.1 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 76% | 0.762 | 69% | 0.688 | S | S | * | * | trans | -158.8 | 104.4 | 151 | 40.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 733 | Y | 23.5 | Very low | 26 | Very low | 211 Ų | 211 | 132.4 Ų | 132.4 | 83% | 0.827 | 70% | 0.696 | S | S | * | * | trans | 47.9 | 119.4 | 131.8 | -99 | -79.6 | 0 | 0 | 0 | 122.9 | ||||
| 734 | I | 28 | Very low | 25.9 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | 144.7 | 96.3 | 128.3 | -73.8 | 157.4 | 0 | 0 | 0 | 114.5 | |||||
| 735 | D | 23 | Very low | 25.6 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | 45.2 | 134 | 125.7 | -62 | 5.8 | 0 | 0 | 0 | 126.1 | |||||
| 736 | N | 23.7 | Very low | 25.6 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | 66.7 | 113.9 | 135.6 | -69.7 | -38.3 | 0 | 0 | 0 | 122.1 | ||||
| 737 | N | 28.4 | Very low | 25.4 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | -169.7 | 158.4 | 91.4 | -104.5 | -65 | 0 | 0 | 0 | 116.5 | |||||
| 738 | N | 24.6 | Very low | 25.4 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | -79.8 | 149.2 | -179 | -68.5 | -57 | 0 | 0 | 0 | 114.5 | ||||
| 739 | N | 27 | Very low | 25.3 | Very low | 139 Ų | 139 | 154.1 Ų | 154.1 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | 168.1 | 149.6 | 100.3 | -92.7 | -51.1 | 0 | 0 | 0 | 115.7 | |||||
| 740 | N | 28.5 | Very low | 25.2 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 57.4 | 142.1 | 161.4 | -61.5 | -16.5 | 0 | 0 | 0 | 119.5 | ||||
| 741 | S | 23.7 | Very low | 25.1 | Very low | 88 Ų | 88 | 150.5 Ų | 150.5 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | cis | 97.9 | 94.8 | 14.1 | -170.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 742 | H | 29.3 | Very low | 25.3 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | -165.9 | 168.8 | 118.3 | -106.6 | 62.7 | 0 | 0 | 0 | 111.9 | |||||
| 743 | N | 23.1 | Very low | 25.1 | Very low | 135 Ų | 135 | 151 Ų | 151 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -83.5 | 167.4 | -176.6 | -52.7 | -22.6 | 0 | 0 | 0 | 112.4 | ||||
| 744 | D | 27.7 | Very low | 25.3 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | -170.5 | 148.6 | 103.7 | -91.9 | -15.3 | 0 | 0 | 0 | 111.9 | |||||
| 745 | D | 21.9 | Very low | 25.1 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -77.2 | 134.8 | -178.4 | -72.3 | -64.4 | 0 | 0 | 0 | 112.5 | ||||
| 746 | Y | 26.7 | Very low | 25.2 | Very low | 213 Ų | 213 | 154.2 Ų | 154.2 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | trans | -140 | 104.5 | 154.4 | -101.7 | -74.8 | 0 | 0 | 0 | 112.6 | Y748 | Y746-Y748 HydrophobicContact CD1-CE2 4.27Å; Y746-Y748 PolarHBondContact O-N 2.93Å | ||
| 747 | I | 22.4 | Very low | 25.2 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | -68.8 | 123.8 | 169.6 | -62.6 | 168.3 | 0 | 0 | 0 | 108.8 | ||||
| 748 | Y | 26.1 | Very low | 25 | Very low | 196 Ų | 196 | 153.4 Ų | 153.4 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -132.6 | 112.5 | 164.8 | -102.2 | -82 | 0 | 0 | 0 | 111.6 | Y746 T750 | Y746-Y748 HydrophobicContact CD1-CE2 4.27Å; Y746-Y748 PolarHBondContact O-N 2.93Å; Y748-T750 PolarHBondContact O-N 3.17Å | ||
| 749 | H | 21.9 | Very low | 25 | Very low | 178 Ų | 178 | 157.7 Ų | 157.7 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -66.1 | 114.7 | 165.9 | -82.5 | -88.1 | 0 | 0 | 0 | 109.9 | S751 | H749-S751 PolarHBondContact O-N 2.9Š| ||
| 750 | T | 26.7 | Very low | 24.8 | Very low | 111 Ų | 111 | 157 Ų | 157 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | trans | -93.7 | 90 | 168.7 | -53.4 | 0 | 0 | 0 | 0 | 109.7 | Y748 H752 | Y748-T750 PolarHBondContact O-N 3.17Å; T750-H752 PolarHBondContact O-N 3.09Å; T750-H752 VanDerWaalsContact O-N 3.15Å | ||
| 751 | S | 22 | Very low | 24.6 | Very low | 95 Ų | 95 | 157.7 Ų | 157.7 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | trans | -74.7 | 97.3 | 175.9 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | H749 Y753 | H749-S751 PolarHBondContact O-N 2.9Å; S751-Y753 PolarHBondContact O-N 3.03Å | ||
| 752 | H | 27.5 | Very low | 24.6 | Very low | 148 Ų | 148 | 160.2 Ų | 160.2 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | -72.6 | 86.8 | 175 | -89.9 | -74.5 | 0 | 0 | 0 | 112.4 | T750 Y754 | T750-H752 PolarHBondContact O-N 3.09Å; T750-H752 VanDerWaalsContact O-N 3.15Å; H752-Y754 VanDerWaalsContact C-N 3.33Å; H752-Y754 PolarHBondContact O-N 2.75Å | ||
| 753 | Y | 22.6 | Very low | 24.4 | Very low | 209 Ų | 209 | 159.6 Ų | 159.6 | 82% | 0.82 | 76% | 0.758 | S | S | * | * | trans | -70 | 86.4 | 162.2 | -96.8 | -88.9 | 0 | 0 | 0 | 110.5 | S751 Q755 | S751-Y753 PolarHBondContact O-N 3.03Å; Y753-Q755 PolarHBondContact O-N 2.85Å | ||
| 754 | Y | 27.1 | Very low | 24.6 | Very low | 200 Ų | 200 | 157.8 Ų | 157.8 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | -88.6 | 84.6 | 163.1 | -99 | -73.6 | 0 | 0 | 0 | 110.1 | H752 K756 | H752-Y754 VanDerWaalsContact C-N 3.33Å; H752-Y754 PolarHBondContact O-N 2.75Å; Y754-K756 VanDerWaalsContact C-N 3.29Å; Y754-K756 PolarHBondContact O-N 3.03Å | ||
| 755 | Q | 23 | Very low | 24.4 | Very low | 176 Ų | 176 | 156.9 Ų | 156.9 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -76.5 | 76.8 | 179.4 | -166.6 | 170.9 | 7.1 | 0 | 0 | 111.2 | Y753 | Y753-Q755 PolarHBondContact O-N 2.85Š| ||
| 756 | K | 24.8 | Very low | 24.7 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -59.8 | 128.6 | 167.6 | -81.1 | -176.9 | 175.1 | 177.7 | 0 | 109.6 | Y754 M758 | Y754-K756 VanDerWaalsContact C-N 3.29Å; Y754-K756 PolarHBondContact O-N 3.03Å; K756-M758 PolarHBondContact O-N 3.45Å; K756-M758 VanDerWaalsContact O-N 3.07Å | ||
| 757 | P | 24 | Very low | 24.7 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | trans | -73.7 | 96.8 | 166.6 | 29.9 | -32 | 0 | 0 | 0 | 109.3 | Y759 | P757-Y759 PolarHBondContact O-N 3.33Š| ||
| 758 | M | 24.3 | Very low | 24.9 | Very low | 154 Ų | 154 | 152.7 Ų | 152.7 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | -75.5 | 116.3 | 171.3 | -72.4 | -154.6 | 74.8 | 0 | 0 | 110.7 | K756 E760 | K756-M758 PolarHBondContact O-N 3.45Å; K756-M758 VanDerWaalsContact O-N 3.07Å; M758-E760 PolarHBondContact O-N 3.01Å | ||
| 759 | Y | 24.3 | Very low | 24.9 | Very low | 220 Ų | 220 | 152.7 Ų | 152.7 | 86% | 0.863 | 75% | 0.752 | S | S | * | * | trans | -77.1 | 77.7 | 156.8 | -81.1 | -83.6 | 0 | 0 | 0 | 109.1 | P757 I761 | P757-Y759 PolarHBondContact O-N 3.33Å; Y759-I761 PolarHBondContact O-N 3.4Å | ||
| 760 | E | 22.9 | Very low | 25.1 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 58% | 0.584 | 75% | 0.749 | S | S | * | * | trans | -73 | 85.2 | 177.7 | -166.9 | -170.4 | -172.3 | 0 | 0 | 110.5 | M758 K762 | M758-E760 PolarHBondContact O-N 3.01Å; E760-K762 HydrophobicContact CG-CG 4.15Å; E760-K762 PolarHBondContact O-N 3.4Å; E760-K762 WeakPolarHBondContact OE1-CE 3.34Å; E760-K762 IonicContact OE1-NZ 3.62Å; E760-K762 PolarHBondContact OE1-NZ 3.3Å; E760-K762 WeakPolarHBondContact OE2-CE 3.37Å; E760-K762 IonicContact OE2-NZ 3.06Å; E760-K762 PolarHBondContact OE2-NZ 3.26Å | ||
| 761 | I | 24.3 | Very low | 25.4 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | -71.8 | 94.3 | 171.7 | -59.7 | 179.9 | 0 | 0 | 0 | 108.6 | Y759 L763 | Y759-I761 PolarHBondContact O-N 3.4Å; I761-L763 PolarHBondContact O-N 3.37Å | ||
| 762 | K | 24.4 | Very low | 25.8 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 61% | 0.613 | 76% | 0.76 | S | S | * | * | trans | -69.9 | 89.4 | 175.3 | -69.9 | -174.6 | 177.9 | 168.2 | 0 | 111.5 | E760 S764 | E760-K762 HydrophobicContact CG-CG 4.15Å; E760-K762 PolarHBondContact O-N 3.4Å; E760-K762 WeakPolarHBondContact OE1-CE 3.34Å; E760-K762 IonicContact OE1-NZ 3.62Å; E760-K762 PolarHBondContact OE1-NZ 3.3Å; E760-K762 WeakPolarHBondContact OE2-CE 3.37Å; E760-K762 IonicContact OE2-NZ 3.06Å; E760-K762 PolarHBondContact OE2-NZ 3.26Å; K762-S764 PolarHBondContact O-N 2.65Å | ||
| 763 | L | 24.9 | Very low | 25.8 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -71.1 | 76.5 | 160.4 | -79.7 | 165.8 | 0 | 0 | 0 | 109.6 | I761 N765 | I761-L763 PolarHBondContact O-N 3.37Å; L763-N765 PolarHBondContact O-N 2.88Å | ||
| 764 | S | 26.9 | Very low | 26.4 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | -70.2 | 112.9 | 176.4 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | K762 P766 | K762-S764 PolarHBondContact O-N 2.65Å; S764-P766 WeakPolarHBondContact O-CD 3.27Å | ||
| 765 | N | 24.9 | Very low | 26.7 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -56.5 | 130.2 | 170.2 | -89.4 | -31 | 0 | 0 | 0 | 112.1 | L763 | L763-N765 PolarHBondContact O-N 2.88Š| ||
| 766 | P | 27.7 | Very low | 27.1 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -101.1 | 65.1 | 160.7 | 37 | -28.4 | 0 | 0 | 0 | 110.2 | S764 | S764-P766 WeakPolarHBondContact O-CD 3.27Š| ||
| 767 | L | 25.4 | Very low | 27.3 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | trans | -88.2 | 132.9 | 170.9 | -98.6 | 168.3 | 0 | 0 | 0 | 110.5 | ||||
| 768 | H | 26.5 | Very low | 27.7 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | trans | 55.5 | 99.4 | 175 | -71.4 | -82.8 | 0 | 0 | 0 | 118.1 | ||||
| 769 | H | 27.3 | Very low | 28.1 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | trans | -139.5 | 104.3 | 130 | -98 | -61.1 | 0 | 0 | 0 | 111.2 | ||||
| 770 | S | 26.7 | Very low | 28.4 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -102 | 113.5 | 162.8 | -57 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 771 | P | 32.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -75 | 129.6 | 165.2 | -13 | 29.6 | 0 | 0 | 0 | 109.7 | ||
| 772 | S | 29.7 | Very low | 29.1 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 135.5 | 178.3 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 773 | S | 27.9 | Very low | 29.2 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 132.4 | 163.5 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 774 | P | 36.2 | Very low | 29.5 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 134.2 | 157 | 32.5 | -29.8 | 0 | 0 | 0 | 110.4 | ||
| 775 | P | 32.4 | Very low | 29.6 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 147.7 | -178.5 | 35.1 | -34.2 | 0 | 0 | 0 | 113.4 | ||
| 776 | S | 32.2 | Very low | 29.8 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -158.5 | 123.2 | 159 | -76.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 777 | L | 28.6 | Very low | 30 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -100.7 | 140.1 | 177.6 | -69.2 | 83.2 | 0 | 0 | 0 | 110.8 | ||||
| 778 | T | 31.5 | Very low | 30.3 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | -151.6 | 123.7 | 144.3 | 21.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 779 | H | 33.1 | Very low | 30.5 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 48.3 | 121.1 | 152.5 | -79 | -52.2 | 0 | 0 | 0 | 123.7 | ||||
| 780 | H | 31.8 | Very low | 30.6 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | 49.5 | 149.6 | 112.9 | -73.4 | -1.9 | 0 | 0 | 0 | 121.9 | |||||
| 781 | Q | 30.4 | Very low | 30.7 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 67% | 0.673 | 75% | 0.752 | S | S | * | * | cis | -178 | 150.7 | -7.4 | 168.7 | 177.1 | 71.9 | 0 | 0 | 109.5 | ||||
| 782 | K | 30.2 | Very low | 30.6 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 40 | 123.5 | 162.3 | -69.3 | 177.3 | 177.1 | -176.2 | 0 | 119.9 | ||||
| 783 | Q | 27.5 | Very low | 30.5 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | 52.9 | 106.6 | 76.9 | -74.8 | -170.5 | -18.6 | 0 | 0 | 117 | |||||
| 784 | H | 31 | Very low | 30.5 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -173.2 | 138.8 | 131.2 | -101.9 | -85.9 | 0 | 0 | 0 | 106.2 | ||||
| 785 | I | 29.3 | Very low | 30 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 62% | 0.621 | 74% | 0.737 | S | S | * | * | cis | 106.1 | 109 | 23.2 | -71.5 | 173.7 | 0 | 0 | 0 | 113.4 | ||||
| 786 | T | 29.1 | Very low | 29.9 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | trans | 51.3 | 131.2 | 156.5 | 57.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 787 | T | 31.3 | Very low | 29.8 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | -153 | 154.9 | 109.3 | 46.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 788 | T | 31.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 68% | 0.681 | 73% | 0.725 | S | S | * | * | cis | -161.3 | 135.1 | -29.2 | 29.3 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 789 | S | 29.6 | Very low | 30.3 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | 63.8 | 148.9 | 60.6 | 94.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 790 | T | 30.5 | Very low | 30.1 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | cis | -158.4 | -174 | 8.8 | -12.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 791 | S | 29 | Very low | 29.9 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | cis | -173.4 | 157.2 | 6.4 | 37.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 792 | H | 29.4 | Very low | 30.4 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | trans | 79.4 | 126.5 | 140.8 | -75.8 | -47.2 | 0 | 0 | 0 | 126 | ||||
| 793 | H | 28.5 | Very low | 30.5 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | 97.4 | 111.5 | 127.2 | -82.4 | -51 | 0 | 0 | 0 | 124.8 | |||||
| 794 | H | 27.6 | Very low | 30.6 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | 72.6 | 113.5 | 125 | -80.9 | -5.3 | 0 | 0 | 0 | 124.5 | |||||
| 795 | H | 25.9 | Very low | 30.9 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | 83.2 | 156.5 | 126.8 | -114.7 | 59.2 | 0 | 0 | 0 | 122.1 | |||||
| 796 | H | 30.4 | Very low | 30.9 | Very low | 173 Ų | 173 | 131 Ų | 131 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | trans | 77.4 | 125.2 | 171.5 | -73.5 | -74.8 | 0 | 0 | 0 | 122 | ||||
| 797 | Q | 29.4 | Very low | 31 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -80.4 | -172.6 | 151.3 | -69.8 | -169.1 | -10.9 | 0 | 0 | 110 | ||||
| 798 | P | 40.3 | Very low | 30.9 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | cis | -138.3 | -168.7 | 1.1 | 18.4 | 10.8 | 0 | 0 | 0 | 116.1 | ||||
| 799 | Y | 29.7 | Very low | 30.7 | Very low | 209 Ų | 209 | 137.1 Ų | 137.1 | 82% | 0.82 | 73% | 0.73 | S | S | * | * | trans | 94.4 | 124.3 | 148.5 | -78.6 | -65.5 | 0 | 0 | 0 | 123 | ||||
| 800 | S | 29.7 | Very low | 30.8 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 91.5 | 130.1 | 134.4 | -64.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 801 | T | 28.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -80.6 | -167.5 | 166.7 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 802 | P | 40.1 | Very low | 31 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | cis | -134.9 | 179.3 | -8 | 41.1 | -24.8 | 0 | 0 | 0 | 114.9 | ||||
| 803 | T | 32.5 | Very low | 30.9 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | -177.7 | 131.1 | 124.9 | 20.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 804 | T | 30.4 | Very low | 31.2 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -84.2 | 174.7 | 154.2 | 40 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 805 | P | 37 | Very low | 31.3 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | cis | -153.8 | 155.2 | 41 | 48.2 | -26.3 | 0 | 0 | 0 | 118.7 | ||||
| 806 | S | 28.7 | Very low | 31.5 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | 97.8 | 157.9 | 96.4 | 61.7 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 807 | Y | 30.9 | Very low | 31.6 | Very low | 201 Ų | 201 | 135.8 Ų | 135.8 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | trans | 76.4 | 143.1 | 161.2 | -68.8 | -58.9 | 0 | 0 | 0 | 118.5 | ||||
| 808 | Q | 29.5 | Very low | 31.8 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 64% | 0.64 | 75% | 0.749 | S | S | * | * | cis | -161.7 | 156.5 | -10.6 | -161.7 | 159.5 | 5.9 | 0 | 0 | 112.8 | ||||
| 809 | Q | 26.8 | Very low | 31.2 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 16 | 132 | 157.8 | -65.9 | 163.3 | -25 | 0 | 0 | 122.3 | ||||
| 810 | S | 31.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | 173.1 | 165.7 | 108.8 | 46.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 811 | S | 27 | Very low | 31.4 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -130.2 | 174 | 173.2 | -43.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 812 | P | 37.1 | Very low | 31.5 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | cis | -153.1 | -175.2 | 33.8 | 45.6 | -24.2 | 0 | 0 | 0 | 118.8 | ||||
| 813 | L | 28.3 | Very low | 31.1 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 67.1 | 155.7 | 161.9 | -67.2 | 161.8 | 0 | 0 | 0 | 117 | ||||
| 814 | H | 34 | Very low | 30.8 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | cis | -149.3 | 145.1 | 19.3 | -143.3 | -84.1 | 0 | 0 | 0 | 113.1 | ||||
| 815 | Q | 30.4 | Very low | 30.9 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | trans | 32 | 130.6 | 157.8 | -75.6 | 169.9 | -16.7 | 0 | 0 | 124.1 | ||||
| 816 | G | 30.5 | Very low | 30.5 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -170.5 | 122.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 817 | Y | 32 | Very low | 30.6 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -96.2 | 137.1 | -172.3 | -76 | -96.7 | 0 | 0 | 0 | 113.4 | ||||
| 818 | S | 32.7 | Very low | 30.4 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | 173.6 | 145.7 | 116.2 | -75.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 819 | S | 27.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -52.8 | 159.5 | -173.8 | -44.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 820 | P | 35.3 | Very low | 30.5 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | -143 | 162.9 | 92.4 | 39.9 | -27.1 | 0 | 0 | 0 | 117 | |||||
| 821 | S | 28.9 | Very low | 30.2 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 59.7 | 125.9 | 157.1 | -57.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 822 | P | 30.9 | Very low | 30.2 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 138.6 | 177.7 | 34.7 | -33.3 | 0 | 0 | 0 | 113.7 | ||
| 823 | P | 32.4 | Very low | 29.8 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 169.8 | 170.6 | 36.6 | -34.7 | 0 | 0 | 0 | 113.2 | ||
| 824 | Y | 25.9 | Very low | 29.9 | Very low | 235 Ų | 235 | 151.7 Ų | 151.7 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 146.1 | 175 | -81 | -104.7 | 0 | 0 | 0 | 113.4 | ||
| 825 | Q | 32.2 | Very low | 29.4 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -121.6 | 132 | 155.1 | -76.9 | -167.7 | -17.7 | 0 | 0 | 110.3 | ||||
| 826 | Q | 27.8 | Very low | 29.3 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -89.3 | 139.1 | 163.4 | -68.4 | 178.2 | -11.3 | 0 | 0 | 109.4 | ||||
| 827 | Q | 32.3 | Very low | 29.2 | Very low | 182 Ų | 182 | 155.4 Ų | 155.4 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -132.2 | 121.8 | 151.8 | -71.4 | -167.2 | -2.4 | 0 | 0 | 108.7 | ||||
| 828 | N | 26.2 | Very low | 28.7 | Very low | 141 Ų | 141 | 155.2 Ų | 155.2 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -73.2 | 144.9 | 173.4 | -73.1 | -49.3 | 0 | 0 | 0 | 110.4 | ||||
| 829 | H | 30.3 | Very low | 28.4 | Very low | 172 Ų | 172 | 157.8 Ų | 157.8 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -162.2 | 116.5 | 138.9 | -109.2 | 56.7 | 0 | 0 | 0 | 112.4 | ||||
| 830 | H | 28.6 | Very low | 28.2 | Very low | 150 Ų | 150 | 161 Ų | 161 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | trans | 51 | 127.5 | 149.9 | -68.4 | 81.7 | 0 | 0 | 0 | 123.4 | ||||
| 831 | Y | 24.5 | Very low | 27.7 | Very low | 206 Ų | 206 | 164.9 Ų | 164.9 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | 16.7 | 133.4 | 144.5 | -66.2 | -94.7 | 0 | 0 | 0 | 119.2 | ||||
| 832 | H | 27.9 | Very low | 27.5 | Very low | 170 Ų | 170 | 164.2 Ų | 164.2 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | -160 | 164.7 | 51.3 | -144.1 | 64.8 | 0 | 0 | 0 | 110.8 | |||||
| 833 | P | 28.9 | Very low | 27.2 | Very low | 100 Ų | 100 | 164.9 Ų | 164.9 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | -96.8 | 155.2 | -167.7 | 36.8 | -34.1 | 0 | 0 | 0 | 115.6 | ||||
| 834 | H | 29.6 | Very low | 27 | Very low | 197 Ų | 197 | 166.5 Ų | 166.5 | 91% | 0.912 | 80% | 0.798 | S | S | * | * | trans | -146.4 | 143.4 | 159.2 | -105.3 | -80.6 | 0 | 0 | 0 | 111.3 | ||||
| 835 | N | 23.9 | Very low | 27.1 | Very low | 146 Ų | 146 | 160.5 Ų | 160.5 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 142.5 | 177 | -71.8 | -43.9 | 0 | 0 | 0 | 112 | ||||
| 836 | H | 28 | Very low | 27.2 | Very low | 184 Ų | 184 | 155 Ų | 155 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | -174.7 | 166.6 | 110.8 | -106.4 | -80.6 | 0 | 0 | 0 | 112.9 | |||||
| 837 | S | 27.6 | Very low | 27.3 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 63 | 87.9 | 171.5 | -66 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 838 | K | 22.6 | Very low | 27.3 | Very low | 202 Ų | 202 | 145.2 Ų | 145.2 | 88% | 0.878 | 72% | 0.72 | S | S | * | * | trans | -84.6 | 106.8 | 151.4 | -74.9 | -177.3 | 175.8 | -178.2 | 0 | 109.7 | ||||
| 839 | H | 24.9 | Very low | 27.6 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 80% | 0.801 | 72% | 0.716 | S | S | * | * | trans | -150.9 | 79.9 | 154 | -93.8 | -66 | 0 | 0 | 0 | 109.3 | ||||
| 840 | H | 24.8 | Very low | 27.7 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 85% | 0.852 | 69% | 0.69 | S | S | * | * | trans | -132.3 | 114.7 | 164.2 | -114.4 | -68.4 | 0 | 0 | 0 | 107.1 | P842 | H840-P842 WeakPolarHBondContact O-CD 3.47Š| ||
| 841 | Y | 22.8 | Very low | 27.7 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 78% | 0.78 | 69% | 0.689 | S | S | * | * | trans | -77.5 | 118.1 | 158.3 | -73.2 | -95.4 | 0 | 0 | 0 | 106.8 | ||||
| 842 | P | 25.5 | Very low | 27.8 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 61% | 0.61 | 69% | 0.686 | S | S | * | * | trans | -72.5 | 125.8 | 158.7 | 30.8 | -29.3 | 0 | 0 | 0 | 107.6 | H840 E844 | H840-P842 WeakPolarHBondContact O-CD 3.47Å; P842-E844 HydrophobicContact CB-CG 4.36Å; P842-E844 HydrophobicContact CG-CG 4.19Å; P842-E844 PolarHBondContact O-N 3.26Å | ||
| 843 | T | 25.6 | Very low | 27.7 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 87% | 0.865 | 69% | 0.685 | S | S | * | * | trans | -70.2 | 90.8 | 158.1 | 47.1 | 0 | 0 | 0 | 0 | 106.9 | N845 | T843-N845 PolarHBondContact O-N 3.45Š| ||
| 844 | E | 27 | Very low | 27.5 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 73% | 0.729 | 69% | 0.692 | S | S | * | * | trans | -60.3 | 137.3 | 180 | -68 | -166.5 | 149.3 | 0 | 0 | 110.7 | P842 I846 | P842-E844 HydrophobicContact CB-CG 4.36Å; P842-E844 HydrophobicContact CG-CG 4.19Å; P842-E844 PolarHBondContact O-N 3.26Å; E844-I846 PolarHBondContact O-N 3.37Å | ||
| 845 | N | 29.2 | Very low | 27.1 | Very low | 109 Ų | 109 | 136 Ų | 136 | 58% | 0.583 | 69% | 0.686 | S | S | * | * | trans | -82.4 | 102 | -168.3 | -165.1 | -8 | 0 | 0 | 0 | 110.1 | T843 N847 T848 | T843-N845 PolarHBondContact O-N 3.45Å; N845-N847 PolarHBondContact O-N 2.86Å; N845-T848 PolarHBondContact O-N 2.93Å; N845-T848 VanDerWaalsContact O-N 3.16Å; N845-T848 PolarHBondContact O-OG1 3.31Å | ||
| 846 | I | 34.1 | Very low | 27.3 | Very low | 60 Ų | 60 | 137 Ų | 137 | 31% | 0.308 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -53.9 | -25.4 | -175.5 | -69.1 | 175.7 | 0 | 0 | 0 | 112.6 | E844 T848 R949 A952 | E844-I846 PolarHBondContact O-N 3.37Å; I846-T848 PolarHBondContact O-N 3.4Å; I846-T848 VanDerWaalsContact O-N 3.13Å; I846-R949 HydrophobicContact CD1-CG 4.31Å; I846-A952 HydrophobicContact CG2-CB 4.32Å |
| 847 | N | 29.9 | Very low | 26.9 | Very low | 61 Ų | 61 | 135.3 Ų | 135.3 | 33% | 0.326 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -61.2 | -19.3 | 179.9 | -69 | 11.9 | 0 | 0 | 0 | 114.6 | N845 T851 E909 | N845-N847 PolarHBondContact O-N 2.86Å; N847-T851 PolarHBondContact O-OG1 3.01Å; N847-E909 PolarHBondContact ND2-OE2 3.33Å |
| 848 | T | 32.5 | Very low | 26.9 | Very low | 89 Ų | 89 | 141.1 Ų | 141.1 | 55% | 0.546 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -77.2 | -22.6 | -173.2 | -51 | 0 | 0 | 0 | 0 | 114.5 | N845 I846 | N845-T848 PolarHBondContact O-N 2.93Å; N845-T848 VanDerWaalsContact O-N 3.16Å; N845-T848 PolarHBondContact O-OG1 3.31Å; I846-T848 PolarHBondContact O-N 3.4Å; I846-T848 VanDerWaalsContact O-N 3.13Å |
| 849 | Y | 31.7 | Very low | 26.9 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -97.4 | -6.4 | -169.8 | -77.1 | -80.1 | 0 | 0 | 0 | 116.1 | ||
| 850 | L | 31.5 | Very low | 26.9 | Very low | 47 Ų | 47 | 135.4 Ų | 135.4 | 25% | 0.246 | 69% | 0.686 | C | S | . | * | S | Bend | trans | -117.7 | 1.4 | -173.1 | -72.2 | 164.9 | 0 | 0 | 0 | 114.3 | F911 Q956 | L850-F911 HydrophobicContact CD1-CE2 4.12Å; L850-F911 HydrophobicContact CD1-CZ 3.67Å; L850-Q956 HydrophobicContact CD1-CG 4.14Å |
| 851 | T | 28.4 | Very low | 27 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | trans | -95.6 | 3.2 | -177.8 | 42.3 | 0 | 0 | 0 | 0 | 114.3 | N847 K853 | N847-T851 PolarHBondContact O-OG1 3.01Å; T851-K853 VanDerWaalsContact C-N 3.27Å; T851-K853 PolarHBondContact O-N 2.83Å | ||
| 852 | V | 28.6 | Very low | 27.2 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | trans | -84.9 | 62.3 | 178.2 | -165.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 853 | K | 24.3 | Very low | 27.2 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | trans | -136.5 | 40 | 169 | -113 | -179.6 | -175.3 | 172.2 | 0 | 113.2 | T851 E964 | T851-K853 VanDerWaalsContact C-N 3.27Å; T851-K853 PolarHBondContact O-N 2.83Å; K853-E964 IonicContact NZ-OE2 2.7Å | ||
| 854 | Q | 24.3 | Very low | 27.3 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -154.8 | 140.7 | 159.5 | -106.2 | 156.5 | 44.2 | 0 | 0 | 109.2 | ||
| 855 | N | 23.2 | Very low | 27.3 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | 62.1 | 92.9 | 179 | -52 | -26.2 | 0 | 0 | 0 | 116.5 | ||||
| 856 | N | 26.3 | Very low | 27.2 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | -175 | 105.3 | 109.6 | -90.9 | -15.7 | 0 | 0 | 0 | 111.1 | |||||
| 857 | D | 21.2 | Very low | 26.8 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | trans | -75.2 | 124 | 155.8 | -72.1 | -61.3 | 0 | 0 | 0 | 108.9 | ||||
| 858 | Y | 26.4 | Very low | 26.7 | Very low | 236 Ų | 236 | 147.9 Ų | 147.9 | 93% | 0.925 | 74% | 0.74 | S | S | * | * | trans | -162.8 | 135.3 | 141.7 | -111.2 | -70.4 | 0 | 0 | 0 | 110.6 | ||||
| 859 | L | 24 | Very low | 26.3 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -95.7 | 156.7 | -175.8 | -75.9 | 84.9 | 0 | 0 | 0 | 113.1 | ||||
| 860 | C | 23.2 | Very low | 26 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 68.1 | 158.7 | 151.9 | -70 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 861 | T | 28.5 | Very low | 25.7 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | cis | -127 | 173.9 | 1.9 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 862 | D | 26.3 | Very low | 25.5 | Very low | 140 Ų | 140 | 151 Ų | 151 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -82.4 | 160.5 | -171 | -40.5 | -94.4 | 0 | 0 | 0 | 116.9 | ||||
| 863 | D | 25.4 | Very low | 25.4 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 79.8 | 153.7 | 133.9 | -97 | -32 | 0 | 0 | 0 | 126.3 | ||||
| 864 | D | 26.7 | Very low | 25.4 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 65% | 0.652 | 80% | 0.798 | S | S | * | * | trans | 72.7 | 89.2 | 154.7 | -124.2 | -12.2 | 0 | 0 | 0 | 121.2 | ||||
| 865 | R | 28.5 | Very low | 25.5 | Very low | 216 Ų | 216 | 149 Ų | 149 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | -178.5 | 115.1 | 97.5 | -100.9 | 177.8 | 144.7 | 153.1 | -3.7 | 117.7 | |||||
| 866 | Q | 26.8 | Very low | 25.6 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 63% | 0.626 | 80% | 0.798 | S | S | * | * | 42.1 | 126 | 124.6 | -65.1 | -176.6 | -3.8 | 0 | 0 | 123.2 | |||||
| 867 | Q | 25.8 | Very low | 25.8 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 68.8 | 112.9 | 138.9 | -63.1 | 175.5 | 21.2 | 0 | 0 | 120.7 | ||||
| 868 | Q | 28.1 | Very low | 26 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | -159.1 | 140 | 99.3 | -106.9 | 175.9 | 16 | 0 | 0 | 112.4 | |||||
| 869 | S | 22.7 | Very low | 26.1 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -100.4 | 138.2 | 170.2 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 870 | G | 25.4 | Very low | 26.2 | Very low | 80 Ų | 80 | 141.7 Ų | 141.7 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -152.4 | 110.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 871 | T | 24.9 | Very low | 26.6 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -112.5 | 134 | -179.6 | 40.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 872 | I | 24.8 | Very low | 26.4 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | 68.4 | 115.9 | 156.9 | -56.6 | 158.8 | 0 | 0 | 0 | 116.1 | L874 | I872-L874 HydrophobicContact CG2-CD1 4.33Š| ||
| 873 | S | 26 | Very low | 26.5 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | -144.2 | 138.1 | 120.6 | -87.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 874 | L | 24.5 | Very low | 26.6 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -80.9 | 156 | 161.3 | -73.1 | 72.5 | 0 | 0 | 0 | 107.7 | I872 | I872-L874 HydrophobicContact CG2-CD1 4.33Š| ||
| 875 | D | 27.3 | Very low | 26.6 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -140.4 | 146 | 143.8 | -139.3 | -22.4 | 0 | 0 | 0 | 109.7 | ||||
| 876 | N | 24.8 | Very low | 26.6 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -143.5 | 106.6 | -163.2 | -128.4 | 9.8 | 0 | 0 | 0 | 110.8 | ||||
| 877 | T | 30.1 | Very low | 26.5 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -142.7 | 98.8 | 161.4 | 44.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 878 | T | 26.9 | Very low | 26.5 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | 55.5 | 108.3 | 82.8 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 879 | D | 28.5 | Very low | 26.3 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | -145.5 | 150.4 | 127.5 | -144.5 | -13.9 | 0 | 0 | 0 | 109.4 | |||||
| 880 | D | 25.1 | Very low | 26.5 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -90 | 152.2 | -173.6 | -84.3 | -55.9 | 0 | 0 | 0 | 112.4 | ||||
| 881 | T | 30.8 | Very low | 26.5 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -160.7 | 115.4 | 145.2 | -1.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 882 | V | 25.3 | Very low | 26.6 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | trans | -104.7 | 116.3 | 172 | 174.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 883 | A | 28.1 | Very low | 26.7 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | -151.8 | 98.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 884 | T | 27.9 | Very low | 26.8 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | 52.2 | 91.8 | 130.3 | -43.7 | 0 | 0 | 0 | 0 | 119.5 | T886 | T884-T886 PolarHBondContact O-N 2.96Š| ||
| 885 | S | 25.8 | Very low | 26.8 | Very low | 134 Ų | 134 | 128 Ų | 128 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -63.8 | 115.8 | 158.8 | -56.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 886 | T | 29.2 | Very low | 26.7 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -113.3 | 124.3 | 174.6 | -39.3 | 0 | 0 | 0 | 0 | 109.7 | T884 T888 | T884-T886 PolarHBondContact O-N 2.96Å; T886-T888 PolarHBondContact O-N 2.69Å | ||
| 887 | T | 23.8 | Very low | 26.8 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | -82.6 | 112.1 | -178.2 | 31.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 888 | T | 27.3 | Very low | 26.6 | Very low | 116 Ų | 116 | 126 Ų | 126 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | trans | -123.8 | 107.3 | 167.4 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | T886 T890 | T886-T888 PolarHBondContact O-N 2.69Å; T888-T890 PolarHBondContact O-N 3.07Å | ||
| 889 | T | 23.7 | Very low | 26.5 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -76 | 109.9 | 174.2 | 41.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 890 | T | 27.3 | Very low | 26.3 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -115.2 | 108.8 | 167.2 | 45.5 | 0 | 0 | 0 | 0 | 110.1 | T888 T892 | T888-T890 PolarHBondContact O-N 3.07Å; T890-T892 PolarHBondContact O-N 2.89Å | ||
| 891 | T | 24.8 | Very low | 26.3 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -72.5 | 105 | 175.2 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 892 | T | 27 | Very low | 26.1 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -116 | 117.2 | 170.2 | -55.3 | 0 | 0 | 0 | 0 | 109.3 | T890 A894 | T890-T892 PolarHBondContact O-N 2.89Å; T892-A894 PolarHBondContact O-N 2.94Å | ||
| 893 | T | 25.7 | Very low | 26.1 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -72.2 | 92.8 | 178 | 47.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 894 | A | 28.6 | Very low | 26.1 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 119.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T892 | T892-A894 PolarHBondContact O-N 2.94Š|
| 895 | G | 25.4 | Very low | 26.2 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 143.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | P897 | G895-P897 WeakPolarHBondContact O-CD 3.46Š|
| 896 | V | 25.2 | Very low | 26.6 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 123.2 | 171.4 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | V898 | V896-V898 PolarHBondContact O-N 3.08Å; V896-V898 VanDerWaalsContact O-N 3.07Å |
| 897 | P | 26.5 | Very low | 27 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -71.3 | 105.8 | 175.5 | 28.6 | -32.6 | 0 | 0 | 0 | 109.3 | G895 R899 | G895-P897 WeakPolarHBondContact O-CD 3.46Å; P897-R899 PolarHBondContact O-N 3.33Å | ||
| 898 | V | 25.7 | Very low | 28 | Very low | 130 Ų | 130 | 122 Ų | 122 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | trans | -63.5 | 105.3 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | V896 T900 | V896-V898 PolarHBondContact O-N 3.08Å; V896-V898 VanDerWaalsContact O-N 3.07Å; V898-T900 PolarHBondContact O-N 3.36Å | ||
| 899 | R | 25.5 | Very low | 28.6 | Very low | 238 Ų | 238 | 122.9 Ų | 122.9 | 90% | 0.898 | 74% | 0.735 | S | S | * | * | trans | -65 | 108 | 176.5 | -169.3 | 178.7 | -173.4 | -171.2 | 1.6 | 108.6 | P897 S901 | P897-R899 PolarHBondContact O-N 3.33Å; R899-S901 PolarHBondContact O-N 3.47Å | ||
| 900 | T | 24.2 | Very low | 29.7 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | -59.3 | 121.8 | 178.5 | 47.6 | 0 | 0 | 0 | 0 | 110.2 | V898 T902 | V898-T900 PolarHBondContact O-N 3.36Å; T900-T902 PolarHBondContact O-N 2.98Å; T900-T902 VanDerWaalsContact O-N 3.12Å | ||
| 901 | S | 24.6 | Very low | 30.9 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | trans | -74.4 | 98.5 | -179.5 | 54.8 | 0 | 0 | 0 | 0 | 111.4 | R899 | R899-S901 PolarHBondContact O-N 3.47Š| ||
| 902 | T | 26.2 | Very low | 32.5 | Very low | 92 Ų | 92 | 119 Ų | 119 | 56% | 0.564 | 69% | 0.692 | S | S | * | * | trans | -69.6 | 144.4 | 159.8 | 36.2 | 0 | 0 | 0 | 0 | 110 | T900 D904 | T900-T902 PolarHBondContact O-N 2.98Å; T900-T902 VanDerWaalsContact O-N 3.12Å; T902-D904 WeakPolarHBondContact CB-OD2 3.45Å; T902-D904 PolarHBondContact O-N 3.41Å; T902-D904 PolarHBondContact OG1-OD2 2.94Å | ||
| 903 | P | 25.1 | Very low | 34.4 | Very low | 130 Ų | 130 | 113.9 Ų | 113.9 | 84% | 0.844 | 66% | 0.66 | S | S | * | * | trans | -82.5 | 53.9 | 178 | 36.3 | -36.4 | 0 | 0 | 0 | 110.7 | T905 | P903-T905 PolarHBondContact O-N 3.1Š| ||
| 904 | D | 28.3 | Very low | 36.5 | Very low | 117 Ų | 117 | 108.9 Ų | 108.9 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | trans | -72.3 | 115.7 | 178.8 | -63.3 | -52.1 | 0 | 0 | 0 | 109.2 | T902 E906 | T902-D904 WeakPolarHBondContact CB-OD2 3.45Å; T902-D904 PolarHBondContact O-N 3.41Å; T902-D904 PolarHBondContact OG1-OD2 2.94Å; D904-E906 PolarHBondContact O-N 3.15Å | ||
| 905 | T | 29.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 108.9 Ų | 108.9 | 76% | 0.755 | 62% | 0.622 | S | S | * | * | trans | -59.7 | 118.9 | 168.9 | 37.8 | 0 | 0 | 0 | 0 | 109 | P903 V907 | P903-T905 PolarHBondContact O-N 3.1Å; T905-V907 PolarHBondContact O-N 3.39Å | ||
| 906 | E | 35 | Very low | 40.7 | Very low | 103 Ų | 103 | 106.7 Ų | 106.7 | 48% | 0.481 | 59% | 0.594 | S | S | . | * | trans | -65.5 | 75.1 | 167.5 | -77.2 | 173.5 | -163.7 | 0 | 0 | 109.6 | D904 D908 R939 | D904-E906 PolarHBondContact O-N 3.15Å; E906-D908 PolarHBondContact O-N 3.43Å; E906-R939 WeakPolarHBondContact OE1-CD 3.39Å; E906-R939 IonicContact OE1-CZ 3.63Å; E906-R939 IonicContact OE1-NE 3.86Å; E906-R939 IonicContact OE1-NH1 2.69Å; E906-R939 PolarHBondContact OE1-NH1 3.46Å | ||
| 907 | V | 36.6 | Very low | 43 | Very low | 104 Ų | 104 | 106.9 Ų | 106.9 | 63% | 0.63 | 59% | 0.587 | S | S | * | * | trans | -75.5 | 68.9 | 153.6 | -163.1 | 0 | 0 | 0 | 0 | 106.5 | T905 E909 | T905-V907 PolarHBondContact O-N 3.39Å; V907-E909 HydrophobicContact CG1-CG 3.65Å; V907-E909 PolarHBondContact O-N 2.68Å | ||
| 908 | D | 45.8 | Very low | 44.5 | Very low | 79 Ų | 79 | 106.5 Ų | 106.5 | 42% | 0.422 | 58% | 0.575 | S | S | . | * | trans | -55.9 | 84.9 | 141.6 | -89.9 | -86.4 | 0 | 0 | 0 | 105.2 | E906 E910 R1083 | E906-D908 PolarHBondContact O-N 3.43Å; D908-E910 PolarHBondContact O-N 2.93Å; D908-R1083 IonicContact OD1-CZ 3.16Å; D908-R1083 IonicContact OD1-NH1 3.42Å; D908-R1083 IonicContact OD1-NH2 3.01Å; D908-R1083 PolarHBondContact OD1-NH2 3.3Å; D908-R1083 IonicContact OD2-CZ 3.71Å; D908-R1083 IonicContact OD2-NH2 3.05Å; D908-R1083 PolarHBondContact OD2-NH2 2.95Å | ||
| 909 | E | 39.7 | Very low | 46.6 | Very low | 134 Ų | 134 | 106.4 Ų | 106.4 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | trans | -49.5 | 129 | 171.2 | -72.7 | -171.5 | 139.9 | 0 | 0 | 106.7 | N847 V907 F911 | N847-E909 PolarHBondContact ND2-OE2 3.33Å; V907-E909 HydrophobicContact CG1-CG 3.65Å; V907-E909 PolarHBondContact O-N 2.68Å; E909-F911 PolarHBondContact O-N 2.98Å | ||
| 910 | E | 47.2 | Very low | 49.3 | Very low | 120 Ų | 120 | 95.9 Ų | 95.9 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | trans | -70.2 | 85.9 | -175.9 | -172.1 | 165.7 | -159.9 | 0 | 0 | 108.3 | D908 N912 L1088 | D908-E910 PolarHBondContact O-N 2.93Å; E910-N912 PolarHBondContact O-N 3.43Å; E910-L1088 WeakPolarHBondContact OE2-CD1 3.46Å; E910-L1088 WeakPolarHBondContact OE2-CD2 3.42Å; E910-L1088 WeakPolarHBondContact OE2-CG 3.49Å | ||
| 911 | F | 51.5 | Low | 52 | Low | 58 Ų | 58 | 91.7 Ų | 91.7 | 25% | 0.254 | 51% | 0.506 | S | S | . | . | trans | -51.8 | 112.8 | -177.8 | 176.4 | -88.4 | 0 | 0 | 0 | 107.2 | L850 E909 F913 | L850-F911 HydrophobicContact CD1-CE2 4.12Å; L850-F911 HydrophobicContact CD1-CZ 3.67Å; E909-F911 PolarHBondContact O-N 2.98Å; F911-F913 HydrophobicContact CD1-CB 3.96Å; F911-F913 AromaticContact CD1-CD2 3.74Å; F911-F913 HydrophobicContact CD1-CD2 3.74Å; F911-F913 HydrophobicContact CD1-CG 4.22Å; F911-F913 HydrophobicContact CE1-CB 4.14Å; F911-F913 AromaticContact CE1-CD2 3.62Å; F911-F913 HydrophobicContact CE1-CD2 3.62Å; F911-F913 HydrophobicContact CE1-CE2 4.32Å; F911-F913 HydrophobicContact CE1-CG 4.07Å; F911-F913 PolarHBondContact O-N 3.17Å | ||
| 912 | N | 58.2 | Low | 54.9 | Low | 148 Ų | 148 | 86.3 Ų | 86.3 | 79% | 0.791 | 47% | 0.467 | S | S | * | . | trans | -73.2 | 75.2 | -173 | -171.6 | 19.4 | 0 | 0 | 0 | 109 | E910 | E910-N912 PolarHBondContact O-N 3.43Š| ||
| 913 | F | 68.6 | Low | 57.8 | Low | 15 Ų | 15 | 81.9 Ų | 81.9 | 7% | 0.066 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 117 | -171.6 | -157 | -72.9 | 0 | 0 | 0 | 107.7 | F911 M923 A926 H927 H930 A951 A955 | F911-F913 HydrophobicContact CD1-CB 3.96Å; F911-F913 AromaticContact CD1-CD2 3.74Å; F911-F913 HydrophobicContact CD1-CD2 3.74Å; F911-F913 HydrophobicContact CD1-CG 4.22Å; F911-F913 HydrophobicContact CE1-CB 4.14Å; F911-F913 AromaticContact CE1-CD2 3.62Å; F911-F913 HydrophobicContact CE1-CD2 3.62Å; F911-F913 HydrophobicContact CE1-CE2 4.32Å; F911-F913 HydrophobicContact CE1-CG 4.07Å; F911-F913 PolarHBondContact O-N 3.17Å; F913-M923 HydrophobicContact CE1-SD 4.2Å; F913-A926 HydrophobicContact CE1-CB 4.14Å; F913-A926 HydrophobicContact CZ-CB 3.93Å; F913-H927 HydrophobicContact CD1-CB 4.2Å; F913-H927 AromaticContact CD1-CD2 3.94Å; F913-H927 HydrophobicContact CE1-CB 4Å; F913-H930 HydrophobicContact CD1-CB 4.41Å; F913-H930 HydrophobicContact CD2-CB 3.72Å; F913-H930 AromaticContact CD2-CD2 3.74Å; F913-H930 AromaticContact CD2-CE1 3.87Å; F913-H930 AromaticContact CD2-CG 3.3Å; F913-H930 AromaticContact CD2-ND1 3.41Å; F913-H930 WeakPolarHBondContact CD2-ND1 3.43Å; F913-H930 HydrophobicContact CE1-CB 4.3Å; F913-H930 HydrophobicContact CE2-CB 3.59Å; F913-H930 AromaticContact CE2-CG 3.68Å; F913-H930 AromaticContact CE2-ND1 3.81Å; F913-H930 HydrophobicContact CG-CB 4.13Å; F913-H930 AromaticContact CG-CD2 3.76Å; F913-H930 AromaticContact CG-CG 3.75Å; F913-H930 HydrophobicContact CZ-CB 3.88Å; F913-A951 HydrophobicContact CE2-CB 4.27Å; F913-A951 HydrophobicContact CZ-CB 4.42Å; F913-A955 HydrophobicContact CE1-CB 4Å; F913-A955 HydrophobicContact CE2-CB 4.43Å; F913-A955 HydrophobicContact CZ-CB 3.7Å |
| 914 | P | 68.2 | Low | 60.4 | Low | 42 Ų | 42 | 76.6 Ų | 76.6 | 27% | 0.273 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 125.3 | -167.2 | 21.3 | -32.2 | 0 | 0 | 0 | 109.9 | M923 | P914-M923 HydrophobicContact CG-CE 3.89Å; P914-M923 HydrophobicContact CG-SD 3.91Å |
| 915 | P | 70 | Confident | 63 | Low | 96 Ų | 96 | 71.2 Ų | 71.2 | 62% | 0.623 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 136.9 | 178.2 | 26.1 | -33.5 | 0 | 0 | 0 | 109.3 | E917 | P915-E917 PolarHBondContact O-N 2.87Š|
| 916 | P | 73.7 | Confident | 65.8 | Low | 25 Ų | 25 | 65.3 Ų | 65.3 | 16% | 0.162 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 130.6 | -178.8 | 29.6 | -35.5 | 0 | 0 | 0 | 111.2 | M923 A924 H927 | P916-M923 HydrophobicContact CB-CB 4.2Å; P916-M923 HydrophobicContact CB-CG 4.1Å; P916-A924 HydrophobicContact CB-CB 3.95Å; P916-A924 HydrophobicContact CG-CB 4.2Å; P916-H927 HydrophobicContact CG-CB 4.33Å |
| 917 | E | 72.6 | Confident | 68.1 | Low | 135 Ų | 135 | 62.6 Ų | 62.6 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 158.4 | 163.3 | -57.8 | 169.5 | 166.5 | 0 | 0 | 110 | P915 N919 Q920 | P915-E917 PolarHBondContact O-N 2.87Å; E917-N919 PolarHBondContact O-N 3.21Å; E917-N919 VanDerWaalsContact O-N 3.08Å; E917-Q920 HydrophobicContact CB-CG 4.03Å; E917-Q920 WeakPolarHBondContact O-CB 3.49Å; E917-Q920 PolarHBondContact O-N 2.93Å; E917-Q920 PolarHBondContact OE2-NE2 2.78Å |
| 918 | E | 57.5 | Low | 70.1 | Confident | 109 Ų | 109 | 58.2 Ų | 58.2 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -33.8 | -173.3 | -68 | -178.6 | 140.6 | 0 | 0 | 113.6 | P290 Q920 | P290-E918 HydrophobicContact CB-CG 4.28Å; E918-Q920 VanDerWaalsContact C-N 3.32Å; E918-Q920 PolarHBondContact O-N 3.45Å |
| 919 | N | 71 | Confident | 72.1 | Confident | 129 Ų | 129 | 54.4 Ų | 54.4 | 69% | 0.69 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 19.4 | 179.6 | -65.7 | -23.7 | 0 | 0 | 0 | 114 | E917 P921 | E917-N919 PolarHBondContact O-N 3.21Å; E917-N919 VanDerWaalsContact O-N 3.08Å; N919-P921 VanDerWaalsContact C-CD 3.49Å; N919-P921 WeakPolarHBondContact O-CD 3.35Å |
| 920 | Q | 81.9 | Confident | 74.3 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | trans | -120 | 67.6 | -177.4 | -57.3 | -170.9 | 23.2 | 0 | 0 | 113.6 | E917 E918 I922 M923 A924 R962 | E917-Q920 HydrophobicContact CB-CG 4.03Å; E917-Q920 WeakPolarHBondContact O-CB 3.49Å; E917-Q920 PolarHBondContact O-N 2.93Å; E917-Q920 PolarHBondContact OE2-NE2 2.78Å; E918-Q920 VanDerWaalsContact C-N 3.32Å; E918-Q920 PolarHBondContact O-N 3.45Å; Q920-I922 PolarHBondContact O-N 3.27Å; Q920-M923 HydrophobicContact CB-CB 3.84Å; Q920-M923 PolarHBondContact O-N 3.38Å; Q920-M923 VanDerWaalsContact O-N 3.17Å; Q920-A924 PolarHBondContact O-N 3.39Å; Q920-R962 VanDerWaalsContact CG-NH1 3.34Å | ||
| 921 | P | 79.9 | Confident | 76 | Confident | 31 Ų | 31 | 46.6 Ų | 46.6 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -34.1 | -172.1 | 26.3 | -36 | 0 | 0 | 0 | 114.5 | N919 A924 A925 V1046 | N919-P921 VanDerWaalsContact C-CD 3.49Å; N919-P921 WeakPolarHBondContact O-CD 3.35Å; P921-A924 PolarHBondContact O-N 3.48Å; P921-A925 PolarHBondContact O-N 3.02Å; P921-V1046 HydrophobicContact CB-CG1 3.69Å; P921-V1046 HydrophobicContact CG-CB 4.48Å; P921-V1046 HydrophobicContact CG-CG1 3.56Å; P921-V1046 HydrophobicContact CG-CG2 4Å |
| 922 | I | 86.4 | Confident | 77.3 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68 | -41.7 | 175.4 | -54 | -179.2 | 0 | 0 | 0 | 110.4 | Q920 A924 A925 A926 M954 V961 V1046 A1049 | Q920-I922 PolarHBondContact O-N 3.27Å; I922-A924 VanDerWaalsContact C-N 3.33Å; I922-A924 PolarHBondContact O-N 3.25Å; I922-A925 PolarHBondContact O-N 3.25Å; I922-A926 WeakPolarHBondContact O-CB 3.37Å; I922-A926 PolarHBondContact O-N 2.93Å; I922-M954 HydrophobicContact CG2-CG 3.82Å; I922-M954 HydrophobicContact CG2-SD 3.51Å; I922-M954 VanDerWaalsContact CG2-SD 3.51Å; I922-V961 HydrophobicContact CD1-CB 4.36Å; I922-V961 HydrophobicContact CD1-CG1 4.17Å; I922-V961 HydrophobicContact CD1-CG2 4.3Å; I922-V1046 HydrophobicContact CD1-CG2 3.95Å; I922-V1046 HydrophobicContact CG1-CB 4.41Å; I922-V1046 HydrophobicContact CG1-CG2 3.84Å; I922-A1049 HydrophobicContact CG1-CB 4.31Å; I922-A1049 HydrophobicContact CG2-CB 4.13Å |
| 923 | M | 87.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 174.1 | -167.9 | 61.3 | 77.4 | 0 | 0 | 111.5 | F913 P914 P916 Q920 A925 A926 H927 A955 S958 Q959 | F913-M923 HydrophobicContact CE1-SD 4.2Å; P914-M923 HydrophobicContact CG-CE 3.89Å; P914-M923 HydrophobicContact CG-SD 3.91Å; P916-M923 HydrophobicContact CB-CB 4.2Å; P916-M923 HydrophobicContact CB-CG 4.1Å; Q920-M923 HydrophobicContact CB-CB 3.84Å; Q920-M923 PolarHBondContact O-N 3.38Å; Q920-M923 VanDerWaalsContact O-N 3.17Å; M923-A925 VanDerWaalsContact C-N 3.33Å; M923-A925 PolarHBondContact O-N 3.42Å; M923-A926 PolarHBondContact O-N 3.13Å; M923-H927 VanDerWaalsContact O-CB 3.26Å; M923-H927 WeakPolarHBondContact O-CB 3.36Å; M923-H927 PolarHBondContact O-N 3.36Å; M923-A955 HydrophobicContact CE-CB 4.04Å; M923-A955 WeakPolarHBondContact CE-O 3.36Å; M923-A955 HydrophobicContact SD-CB 3.63Å; M923-S958 PolarHBondContact N-OG 3.21Å; M923-S958 VanDerWaalsContact N-OG 3.1Å; M923-Q959 HydrophobicContact CE-CG 3.88Å |
| 924 | A | 78.6 | Confident | 79.5 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P916 Q920 P921 I922 A928 | P916-A924 HydrophobicContact CB-CB 3.95Å; P916-A924 HydrophobicContact CG-CB 4.2Å; Q920-A924 PolarHBondContact O-N 3.39Å; P921-A924 PolarHBondContact O-N 3.48Å; I922-A924 VanDerWaalsContact C-N 3.33Å; I922-A924 PolarHBondContact O-N 3.25Å; A924-A928 WeakPolarHBondContact O-CB 3.24Å; A924-A928 PolarHBondContact O-N 3.12Å |
| 925 | A | 82.5 | Confident | 80.1 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P921 I922 M923 A928 L929 Q1050 M1053 | P921-A925 PolarHBondContact O-N 3.02Å; I922-A925 PolarHBondContact O-N 3.25Å; M923-A925 VanDerWaalsContact C-N 3.33Å; M923-A925 PolarHBondContact O-N 3.42Å; A925-A928 WeakPolarHBondContact O-CB 3.42Å; A925-A928 PolarHBondContact O-N 3.19Å; A925-L929 PolarHBondContact O-N 3.31Å; A925-L929 VanDerWaalsContact O-N 3.13Å; A925-Q1050 HydrophobicContact CB-CG 4.1Å; A925-M1053 HydrophobicContact CB-CB 3.99Å; A925-M1053 HydrophobicContact CB-CG 3.86Å |
| 926 | A | 89.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | F913 I922 M923 A928 L929 H930 M954 A955 | F913-A926 HydrophobicContact CE1-CB 4.14Å; F913-A926 HydrophobicContact CZ-CB 3.93Å; I922-A926 WeakPolarHBondContact O-CB 3.37Å; I922-A926 PolarHBondContact O-N 2.93Å; M923-A926 PolarHBondContact O-N 3.13Å; A926-A928 VanDerWaalsContact C-N 3.34Å; A926-A928 PolarHBondContact O-N 3.16Å; A926-L929 PolarHBondContact O-N 3.28Å; A926-H930 WeakPolarHBondContact O-CB 3.13Å; A926-H930 PolarHBondContact O-N 2.95Å; A926-M954 HydrophobicContact CB-CB 3.83Å; A926-M954 HydrophobicContact CB-CG 3.93Å; A926-A955 HydrophobicContact CB-CB 4.12Å |
| 927 | H | 83.2 | Confident | 81.5 | Confident | 45 Ų | 45 | 37.2 Ų | 37.2 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.3 | -34.6 | 176.6 | -178.9 | -102.1 | 0 | 0 | 0 | 112.2 | F913 P916 M923 H930 H931 | F913-H927 HydrophobicContact CD1-CB 4.2Å; F913-H927 AromaticContact CD1-CD2 3.94Å; F913-H927 HydrophobicContact CE1-CB 4Å; P916-H927 HydrophobicContact CG-CB 4.33Å; M923-H927 VanDerWaalsContact O-CB 3.26Å; M923-H927 WeakPolarHBondContact O-CB 3.36Å; M923-H927 PolarHBondContact O-N 3.36Å; H927-H930 PolarHBondContact O-N 3.43Å; H927-H931 WeakPolarHBondContact O-CB 3.33Å; H927-H931 PolarHBondContact O-N 3.28Å |
| 928 | A | 79 | Confident | 82.2 | Confident | 12 Ų | 12 | 32.3 Ų | 32.3 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -48.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R282 A924 A925 A926 H930 H931 E932 I1057 | R282-A928 VanDerWaalsContact NH2-CB 3.29Å; A924-A928 WeakPolarHBondContact O-CB 3.24Å; A924-A928 PolarHBondContact O-N 3.12Å; A925-A928 WeakPolarHBondContact O-CB 3.42Å; A925-A928 PolarHBondContact O-N 3.19Å; A926-A928 VanDerWaalsContact C-N 3.34Å; A926-A928 PolarHBondContact O-N 3.16Å; A928-H930 VanDerWaalsContact C-N 3.32Å; A928-H930 PolarHBondContact O-N 3.33Å; A928-H931 PolarHBondContact O-N 3.45Å; A928-E932 PolarHBondContact O-N 2.86Å; A928-I1057 HydrophobicContact CB-CD1 4.22Å |
| 929 | L | 87.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.3 | -37.1 | 176.6 | 179.8 | 62.6 | 0 | 0 | 0 | 111.4 | A925 A926 T933 M950 A951 M1053 V1056 I1057 L1060 | A925-L929 PolarHBondContact O-N 3.31Å; A925-L929 VanDerWaalsContact O-N 3.13Å; A926-L929 PolarHBondContact O-N 3.28Å; L929-T933 HydrophobicContact CD1-CG2 3.72Å; L929-T933 HydrophobicContact CG-CG2 4.16Å; L929-T933 WeakPolarHBondContact O-CB 3.36Å; L929-T933 VanDerWaalsContact O-CG2 3.22Å; L929-T933 WeakPolarHBondContact O-CG2 3.47Å; L929-T933 PolarHBondContact O-N 2.86Å; L929-T933 PolarHBondContact O-OG1 2.79Å; L929-M950 HydrophobicContact CD2-CB 3.97Å; L929-A951 HydrophobicContact CB-CB 4.18Å; L929-A951 HydrophobicContact CD2-CB 4.11Å; L929-A951 HydrophobicContact CG-CB 4.03Å; L929-M1053 HydrophobicContact CB-CB 4.43Å; L929-M1053 HydrophobicContact CB-SD 4.22Å; L929-M1053 HydrophobicContact CD2-CE 4.03Å; L929-M1053 HydrophobicContact CD2-SD 3.54Å; L929-M1053 VanDerWaalsContact CD2-SD 3.54Å; L929-V1056 HydrophobicContact CD1-CB 4.28Å; L929-V1056 HydrophobicContact CD1-CG1 3.68Å; L929-V1056 HydrophobicContact CD2-CB 4.44Å; L929-V1056 HydrophobicContact CD2-CG1 4.01Å; L929-I1057 HydrophobicContact CB-CD1 4.34Å; L929-I1057 HydrophobicContact CB-CG1 4.32Å; L929-I1057 HydrophobicContact CD1-CG1 3.62Å; L929-L1060 HydrophobicContact CD1-CD1 4.21Å |
| 930 | H | 87.2 | Confident | 83.9 | Confident | 34 Ų | 34 | 32.6 Ų | 32.6 | 16% | 0.157 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | 172.8 | -178.4 | 72.2 | 0 | 0 | 0 | 112.4 | F913 A926 H927 A928 E932 T933 R934 A951 | F913-H930 HydrophobicContact CD1-CB 4.41Å; F913-H930 HydrophobicContact CD2-CB 3.72Å; F913-H930 AromaticContact CD2-CD2 3.74Å; F913-H930 AromaticContact CD2-CE1 3.87Å; F913-H930 AromaticContact CD2-CG 3.3Å; F913-H930 AromaticContact CD2-ND1 3.41Å; F913-H930 WeakPolarHBondContact CD2-ND1 3.43Å; F913-H930 HydrophobicContact CE1-CB 4.3Å; F913-H930 HydrophobicContact CE2-CB 3.59Å; F913-H930 AromaticContact CE2-CG 3.68Å; F913-H930 AromaticContact CE2-ND1 3.81Å; F913-H930 HydrophobicContact CG-CB 4.13Å; F913-H930 AromaticContact CG-CD2 3.76Å; F913-H930 AromaticContact CG-CG 3.75Å; F913-H930 HydrophobicContact CZ-CB 3.88Å; A926-H930 WeakPolarHBondContact O-CB 3.13Å; A926-H930 PolarHBondContact O-N 2.95Å; H927-H930 PolarHBondContact O-N 3.43Å; A928-H930 VanDerWaalsContact C-N 3.32Å; A928-H930 PolarHBondContact O-N 3.33Å; H930-E932 VanDerWaalsContact C-N 3.34Å; H930-E932 PolarHBondContact O-N 2.89Å; H930-T933 WeakPolarHBondContact CA-OG1 3.44Å; H930-T933 PolarHBondContact O-N 3.38Å; H930-T933 PolarHBondContact O-OG1 3.2Å; H930-R934 WeakPolarHBondContact O-CB 3.39Å; H930-R934 VanDerWaalsContact O-CG 3.3Å; H930-R934 WeakPolarHBondContact O-CG 3.26Å; H930-R934 PolarHBondContact O-N 3.41Å; H930-A951 HydrophobicContact CB-CB 4.09Å |
| 931 | H | 81.4 | Confident | 84.3 | Confident | 55 Ų | 55 | 32 Ų | 32 | 26% | 0.255 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62 | -40.8 | -178.6 | -164.6 | 118.9 | 0 | 0 | 0 | 111.9 | H927 A928 R934 | H927-H931 WeakPolarHBondContact O-CB 3.33Å; H927-H931 PolarHBondContact O-N 3.28Å; A928-H931 PolarHBondContact O-N 3.45Å; H931-R934 PolarHBondContact CE1-NH2 2.78Å; H931-R934 WeakPolarHBondContact O-CG 3.48Å |
| 932 | E | 79.3 | Confident | 84.9 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.6 | -48.8 | 176.5 | -168.3 | 66.7 | -162.3 | 0 | 0 | 111.5 | A928 H930 R934 L935 I1057 H1061 R1104 | A928-E932 PolarHBondContact O-N 2.86Å; H930-E932 VanDerWaalsContact C-N 3.34Å; H930-E932 PolarHBondContact O-N 2.89Å; E932-R934 VanDerWaalsContact C-N 3.33Å; E932-R934 PolarHBondContact O-N 3.42Å; E932-L935 WeakPolarHBondContact O-CB 3.26Å; E932-L935 WeakPolarHBondContact O-CG 3.4Å; E932-L935 PolarHBondContact O-N 2.87Å; E932-I1057 HydrophobicContact CB-CG1 4.42Å; E932-I1057 HydrophobicContact CG-CG2 4.27Å; E932-H1061 IonicContact OE1-CD2 2.75Å; E932-H1061 IonicContact OE1-CE1 3.37Å; E932-H1061 IonicContact OE1-NE2 3.65Å; E932-H1061 PolarHBondContact OE1-NE2 2.91Å; E932-H1061 IonicContact OE2-NE2 2.86Å; E932-R1104 IonicContact OE1-CZ 3.99Å; E932-R1104 IonicContact OE1-NH1 2.62Å; E932-R1104 IonicContact OE1-NH2 2.74Å; E932-R1104 PolarHBondContact OE1-NH2 2.88Å; E932-R1104 IonicContact OE2-NH2 3.84Å |
| 933 | T | 88.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.9 | -27.3 | -174.6 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | L929 H930 L935 W936 T947 K948 L1060 | L929-T933 HydrophobicContact CD1-CG2 3.72Å; L929-T933 HydrophobicContact CG-CG2 4.16Å; L929-T933 WeakPolarHBondContact O-CB 3.36Å; L929-T933 VanDerWaalsContact O-CG2 3.22Å; L929-T933 WeakPolarHBondContact O-CG2 3.47Å; L929-T933 PolarHBondContact O-N 2.86Å; L929-T933 PolarHBondContact O-OG1 2.79Å; H930-T933 WeakPolarHBondContact CA-OG1 3.44Å; H930-T933 PolarHBondContact O-N 3.38Å; H930-T933 PolarHBondContact O-OG1 3.2Å; T933-L935 VanDerWaalsContact C-N 3.26Å; T933-L935 PolarHBondContact O-N 2.93Å; T933-W936 PolarHBondContact O-N 3.37Å; T933-T947 VanDerWaalsContact CG2-OG1 3.27Å; T933-T947 WeakPolarHBondContact CG2-OG1 3.46Å; T933-K948 WeakPolarHBondContact O-CE 3.26Å; T933-L1060 HydrophobicContact CG2-CD1 3.54Å |
| 934 | R | 84 | Confident | 85.6 | Confident | 70 Ų | 70 | 37.6 Ų | 37.6 | 26% | 0.264 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.2 | 176 | 76.8 | 179.5 | -176.1 | 159 | -4.6 | 114 | H930 H931 E932 W936 | H930-R934 WeakPolarHBondContact O-CB 3.39Å; H930-R934 VanDerWaalsContact O-CG 3.3Å; H930-R934 WeakPolarHBondContact O-CG 3.26Å; H930-R934 PolarHBondContact O-N 3.41Å; H931-R934 PolarHBondContact CE1-NH2 2.78Å; H931-R934 WeakPolarHBondContact O-CG 3.48Å; E932-R934 VanDerWaalsContact C-N 3.33Å; E932-R934 PolarHBondContact O-N 3.42Å; R934-W936 PolarHBondContact O-N 3.29Å |
| 935 | L | 81.8 | Confident | 86.3 | Confident | 58 Ų | 58 | 38.5 Ų | 38.5 | 30% | 0.304 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.3 | 173.1 | -58.8 | 178.6 | 0 | 0 | 0 | 111.3 | E932 T933 P1082 R1083 | E932-L935 WeakPolarHBondContact O-CB 3.26Å; E932-L935 WeakPolarHBondContact O-CG 3.4Å; E932-L935 PolarHBondContact O-N 2.87Å; T933-L935 VanDerWaalsContact C-N 3.26Å; T933-L935 PolarHBondContact O-N 2.93Å; L935-P1082 CarbonylContact O-C 3.54Å; L935-P1082 WeakPolarHBondContact O-CA 3.21Å; L935-R1083 PolarHBondContact O-N 3.04Å |
| 936 | W | 85.8 | Confident | 86.9 | Confident | 23 Ų | 23 | 38.5 Ų | 38.5 | 9% | 0.087 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -109 | 146.8 | -172.6 | -54.8 | 105.8 | 0 | 0 | 0 | 112.1 | T933 R934 I944 K948 E1064 W1080 P1082 | T933-W936 PolarHBondContact O-N 3.37Å; R934-W936 PolarHBondContact O-N 3.29Å; W936-I944 HydrophobicContact CB-CD1 3.78Å; W936-I944 HydrophobicContact CB-CG1 3.96Å; W936-I944 HydrophobicContact CB-CG2 4.07Å; W936-I944 HydrophobicContact CG-CD1 3.94Å; W936-K948 PolarHBondContact O-NZ 3.46Å; W936-E1064 VanDerWaalsContact CH2-OE1 3.23Å; W936-E1064 WeakPolarHBondContact CH2-OE1 3.43Å; W936-E1064 WeakPolarHBondContact CZ2-OE1 3.47Å; W936-W1080 AromaticContact CD2-CE3 3.71Å; W936-W1080 HydrophobicContact CD2-CE3 3.71Å; W936-W1080 HydrophobicContact CD2-CZ3 4.21Å; W936-W1080 AromaticContact CE2-CE3 3.8Å; W936-W1080 HydrophobicContact CE3-CB 4.14Å; W936-W1080 AromaticContact CE3-CE3 3.92Å; W936-W1080 HydrophobicContact CE3-CE3 3.92Å; W936-W1080 HydrophobicContact CG-CE3 4.16Å; W936-W1080 HydrophobicContact CG-CZ3 4.31Å; W936-W1080 HydrophobicContact CH2-CB 4.41Å; W936-W1080 HydrophobicContact CH2-CE3 4.25Å; W936-W1080 HydrophobicContact CZ2-CE3 4.08Å; W936-W1080 HydrophobicContact CZ3-CB 3.79Å; W936-W1080 HydrophobicContact CZ3-CE3 4.18Å; W936-P1082 HydrophobicContact CE3-CG 4.35Å; W936-P1082 HydrophobicContact CZ3-CG 3.84Å |
| 937 | S | 87.4 | Confident | 87.2 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | trans | -71.8 | 140.6 | 165 | -167.4 | 0 | 0 | 0 | 0 | 110.5 | R939 N1081 | S937-R939 VanDerWaalsContact C-N 3.29Å; S937-R939 WeakPolarHBondContact OG-CB 3.43Å; S937-R939 PolarHBondContact OG-N 3.48Å; S937-N1081 PolarHBondContact N-O 3.42Å | ||
| 938 | S | 88 | Confident | 87.7 | Confident | 32 Ų | 32 | 38 Ų | 38 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | trans | -83.9 | -9.2 | 170.6 | 14 | 0 | 0 | 0 | 0 | 112.1 | D940 N941 K948 | S938-D940 PolarHBondContact O-N 3.03Å; S938-N941 PolarHBondContact O-N 3.46Å; S938-K948 PolarHBondContact OG-NZ 2.94Å | ||
| 939 | R | 81.7 | Confident | 88.5 | Confident | 138 Ų | 138 | 42.1 Ų | 42.1 | 52% | 0.521 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 126 | 175.2 | -169.6 | -167 | -178.6 | 113.2 | -3.4 | 109.5 | E906 S937 N941 | E906-R939 WeakPolarHBondContact OE1-CD 3.39Å; E906-R939 IonicContact OE1-CZ 3.63Å; E906-R939 IonicContact OE1-NE 3.86Å; E906-R939 IonicContact OE1-NH1 2.69Å; E906-R939 PolarHBondContact OE1-NH1 3.46Å; S937-R939 VanDerWaalsContact C-N 3.29Å; S937-R939 WeakPolarHBondContact OG-CB 3.43Å; S937-R939 PolarHBondContact OG-N 3.48Å; R939-N941 PolarHBondContact O-N 2.82Å |
| 940 | D | 82.6 | Confident | 88.9 | Confident | 107 Ų | 107 | 42.1 Ų | 42.1 | 57% | 0.572 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 28.6 | -179.6 | -48.9 | -43.5 | 0 | 0 | 0 | 113.6 | S938 I1079 | S938-D940 PolarHBondContact O-N 3.03Å; D940-I1079 HydrophobicContact CB-CD1 3.92Å; D940-I1079 HydrophobicContact CB-CG1 4.38Å |
| 941 | N | 89.9 | Confident | 89.2 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | trans | -146.8 | 88.1 | 178.5 | -167.3 | -31.9 | 0 | 0 | 0 | 111.2 | S938 R939 L943 I944 A945 I1079 | S938-N941 PolarHBondContact O-N 3.46Å; R939-N941 PolarHBondContact O-N 2.82Å; N941-L943 VanDerWaalsContact C-N 3.27Å; N941-L943 PolarHBondContact O-N 2.91Å; N941-L943 PolarHBondContact OD1-N 3.12Å; N941-I944 HydrophobicContact CB-CB 4.24Å; N941-I944 HydrophobicContact CB-CG1 4.37Å; N941-I944 PolarHBondContact O-N 2.92Å; N941-I944 PolarHBondContact OD1-N 2.92Å; N941-I944 VanDerWaalsContact OD1-N 3.15Å; N941-A945 PolarHBondContact O-N 2.87Å; N941-A945 VanDerWaalsContact O-N 3.09Å; N941-I1079 PolarHBondContact ND2-O 2.94Å | ||
| 942 | E | 92.2 | Very high | 89.8 | Confident | 154 Ų | 154 | 38.5 Ų | 38.5 | 72% | 0.72 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -62.2 | -32.1 | -176.7 | -64 | -176.1 | 156.4 | 0 | 0 | 113 | A945 A946 | E942-A945 PolarHBondContact O-N 3.23Å; E942-A946 WeakPolarHBondContact O-CB 3.49Å; E942-A946 PolarHBondContact O-N 3.25Å |
| 943 | L | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 174.5 | 178.3 | 62.4 | 0 | 0 | 0 | 111.1 | N941 A945 A946 T947 V985 C988 L1060 A1063 F1078 W1080 | N941-L943 VanDerWaalsContact C-N 3.27Å; N941-L943 PolarHBondContact O-N 2.91Å; N941-L943 PolarHBondContact OD1-N 3.12Å; L943-A945 VanDerWaalsContact C-N 3.31Å; L943-A945 PolarHBondContact O-N 3.08Å; L943-A946 PolarHBondContact O-N 3.05Å; L943-T947 HydrophobicContact CD1-CG2 4.28Å; L943-T947 WeakPolarHBondContact O-CB 3.44Å; L943-T947 VanDerWaalsContact O-CG2 3.3Å; L943-T947 WeakPolarHBondContact O-CG2 3.48Å; L943-T947 PolarHBondContact O-N 3.01Å; L943-T947 PolarHBondContact O-OG1 2.91Å; L943-V985 HydrophobicContact CD1-CB 4.37Å; L943-V985 HydrophobicContact CD1-CG1 3.92Å; L943-V985 HydrophobicContact CD1-CG2 4.25Å; L943-C988 HydrophobicContact CB-CB 3.97Å; L943-C988 HydrophobicContact CD1-CB 3.96Å; L943-C988 HydrophobicContact CG-CB 4.47Å; L943-L1060 HydrophobicContact CD1-CD2 4.28Å; L943-L1060 HydrophobicContact CD2-CD2 3.9Å; L943-L1060 HydrophobicContact CG-CD2 3.69Å; L943-A1063 HydrophobicContact CD2-CB 3.59Å; L943-F1078 HydrophobicContact CB-CE1 4.18Å; L943-W1080 HydrophobicContact CD2-CH2 4.41Å; L943-W1080 HydrophobicContact CD2-CZ2 4.36Å |
| 944 | I | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.5 | -34 | 175.2 | -66.8 | -65.7 | 0 | 0 | 0 | 111.6 | W936 N941 T947 K948 L1060 W1080 | W936-I944 HydrophobicContact CB-CD1 3.78Å; W936-I944 HydrophobicContact CB-CG1 3.96Å; W936-I944 HydrophobicContact CB-CG2 4.07Å; W936-I944 HydrophobicContact CG-CD1 3.94Å; N941-I944 HydrophobicContact CB-CB 4.24Å; N941-I944 HydrophobicContact CB-CG1 4.37Å; N941-I944 PolarHBondContact O-N 2.92Å; N941-I944 PolarHBondContact OD1-N 2.92Å; N941-I944 VanDerWaalsContact OD1-N 3.15Å; I944-T947 WeakPolarHBondContact CA-OG1 3.34Å; I944-T947 PolarHBondContact O-OG1 2.9Å; I944-K948 HydrophobicContact CG2-CD 4.12Å; I944-K948 WeakPolarHBondContact O-CB 3.42Å; I944-K948 VanDerWaalsContact O-CG 3.26Å; I944-K948 WeakPolarHBondContact O-CG 3.42Å; I944-K948 PolarHBondContact O-N 3.07Å; I944-K948 VanDerWaalsContact O-N 3.08Å; I944-L1060 HydrophobicContact CD1-CD1 4.45Å; I944-L1060 HydrophobicContact CD1-CD2 3.72Å; I944-W1080 HydrophobicContact CD1-CH2 4.35Å; I944-W1080 HydrophobicContact CD1-CZ3 3.88Å; I944-W1080 HydrophobicContact CG1-CZ3 4.31Å |
| 945 | A | 93.7 | Very high | 91.3 | Very high | 38 Ų | 38 | 35 Ų | 35 | 31% | 0.314 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.9 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N941 E942 L943 R949 | N941-A945 PolarHBondContact O-N 2.87Å; N941-A945 VanDerWaalsContact O-N 3.09Å; E942-A945 PolarHBondContact O-N 3.23Å; L943-A945 VanDerWaalsContact C-N 3.31Å; L943-A945 PolarHBondContact O-N 3.08Å; A945-R949 PolarHBondContact O-N 3.21Å; A945-R949 VanDerWaalsContact O-N 3.12Å |
| 946 | A | 95.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E942 L943 R949 M950 D984 V985 | E942-A946 WeakPolarHBondContact O-CB 3.49Å; E942-A946 PolarHBondContact O-N 3.25Å; L943-A946 PolarHBondContact O-N 3.05Å; A946-R949 WeakPolarHBondContact O-CA 3.39Å; A946-R949 VanDerWaalsContact O-CB 3.29Å; A946-R949 WeakPolarHBondContact O-CB 3.37Å; A946-R949 PolarHBondContact O-N 3.44Å; A946-R949 VanDerWaalsContact O-N 3.12Å; A946-M950 WeakPolarHBondContact O-CG 3.36Å; A946-M950 PolarHBondContact O-N 3.29Å; A946-D984 HydrophobicContact CB-CB 3.78Å; A946-V985 HydrophobicContact CB-CG2 3.88Å |
| 947 | T | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.2 | -35.2 | 179.5 | 53 | 0 | 0 | 0 | 0 | 113.4 | T933 L943 I944 R949 M950 A951 V985 V1056 L1060 | T933-T947 VanDerWaalsContact CG2-OG1 3.27Å; T933-T947 WeakPolarHBondContact CG2-OG1 3.46Å; L943-T947 HydrophobicContact CD1-CG2 4.28Å; L943-T947 WeakPolarHBondContact O-CB 3.44Å; L943-T947 VanDerWaalsContact O-CG2 3.3Å; L943-T947 WeakPolarHBondContact O-CG2 3.48Å; L943-T947 PolarHBondContact O-N 3.01Å; L943-T947 PolarHBondContact O-OG1 2.91Å; I944-T947 WeakPolarHBondContact CA-OG1 3.34Å; I944-T947 PolarHBondContact O-OG1 2.9Å; T947-R949 VanDerWaalsContact C-N 3.34Å; T947-M950 PolarHBondContact O-N 3.01Å; T947-A951 PolarHBondContact O-N 3.16Å; T947-V985 HydrophobicContact CG2-CG2 3.65Å; T947-V1056 HydrophobicContact CG2-CG1 3.23Å; T947-L1060 HydrophobicContact CG2-CD1 4.2Å; T947-L1060 HydrophobicContact CG2-CD2 3.94Å; T947-L1060 HydrophobicContact CG2-CG 4.21Å |
| 948 | K | 93.8 | Very high | 92.2 | Very high | 35 Ų | 35 | 31.9 Ų | 31.9 | 15% | 0.152 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 167.9 | -75.4 | 175 | -176.3 | 174.3 | 0 | 112.1 | T933 W936 S938 I944 A951 A952 | T933-K948 WeakPolarHBondContact O-CE 3.26Å; W936-K948 PolarHBondContact O-NZ 3.46Å; S938-K948 PolarHBondContact OG-NZ 2.94Å; I944-K948 HydrophobicContact CG2-CD 4.12Å; I944-K948 WeakPolarHBondContact O-CB 3.42Å; I944-K948 VanDerWaalsContact O-CG 3.26Å; I944-K948 WeakPolarHBondContact O-CG 3.42Å; I944-K948 PolarHBondContact O-N 3.07Å; I944-K948 VanDerWaalsContact O-N 3.08Å; K948-A951 PolarHBondContact O-N 3.48Å; K948-A952 PolarHBondContact O-N 3.12Å; K948-A952 VanDerWaalsContact O-N 3.16Å |
| 949 | R | 95.4 | Very high | 92.2 | Very high | 99 Ų | 99 | 31.3 Ų | 31.3 | 37% | 0.374 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 175.1 | -157.6 | -164.4 | -54.8 | 142.1 | 6.8 | 111.2 | I846 A945 A946 T947 A951 A952 L953 D984 | I846-R949 HydrophobicContact CD1-CG 4.31Å; A945-R949 PolarHBondContact O-N 3.21Å; A945-R949 VanDerWaalsContact O-N 3.12Å; A946-R949 WeakPolarHBondContact O-CA 3.39Å; A946-R949 VanDerWaalsContact O-CB 3.29Å; A946-R949 WeakPolarHBondContact O-CB 3.37Å; A946-R949 PolarHBondContact O-N 3.44Å; A946-R949 VanDerWaalsContact O-N 3.12Å; T947-R949 VanDerWaalsContact C-N 3.34Å; R949-A951 PolarHBondContact O-N 3.49Å; R949-A952 PolarHBondContact O-N 3.29Å; R949-L953 HydrophobicContact CG-CD1 4.09Å; R949-L953 WeakPolarHBondContact O-CB 3.39Å; R949-L953 VanDerWaalsContact O-CG 3.31Å; R949-L953 WeakPolarHBondContact O-CG 3.25Å; R949-L953 PolarHBondContact O-N 3.47Å; R949-D984 IonicContact CZ-OD2 3.79Å; R949-D984 IonicContact NH1-OD2 3.46Å; R949-D984 PolarHBondContact NH1-OD2 2.95Å; R949-D984 IonicContact NH2-OD2 3.51Å; R949-D984 PolarHBondContact NH2-OD2 3.2Å |
| 950 | M | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 176 | -69.7 | -174.7 | 80.7 | 0 | 0 | 112.5 | L929 A946 T947 L953 M954 I978 A981 V985 L1052 M1053 V1056 | L929-M950 HydrophobicContact CD2-CB 3.97Å; A946-M950 WeakPolarHBondContact O-CG 3.36Å; A946-M950 PolarHBondContact O-N 3.29Å; T947-M950 PolarHBondContact O-N 3.01Å; M950-L953 PolarHBondContact O-N 3.29Å; M950-M954 WeakPolarHBondContact O-CB 3.45Å; M950-M954 PolarHBondContact O-N 2.89Å; M950-I978 HydrophobicContact CE-CG2 4.13Å; M950-A981 HydrophobicContact CG-CB 3.52Å; M950-A981 HydrophobicContact SD-CB 4.48Å; M950-V985 HydrophobicContact SD-CG2 3.75Å; M950-L1052 HydrophobicContact CE-CD1 4.21Å; M950-L1052 HydrophobicContact CE-CD2 3.92Å; M950-L1052 HydrophobicContact CE-CG 3.96Å; M950-M1053 HydrophobicContact CB-CE 4.17Å; M950-M1053 HydrophobicContact CE-CE 3.97Å; M950-V1056 HydrophobicContact CE-CG2 3.84Å; M950-V1056 HydrophobicContact SD-CG1 4.36Å; M950-V1056 HydrophobicContact SD-CG2 3.88Å |
| 951 | A | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F913 L929 H930 T947 K948 R949 M954 A955 | F913-A951 HydrophobicContact CE2-CB 4.27Å; F913-A951 HydrophobicContact CZ-CB 4.42Å; L929-A951 HydrophobicContact CB-CB 4.18Å; L929-A951 HydrophobicContact CD2-CB 4.11Å; L929-A951 HydrophobicContact CG-CB 4.03Å; H930-A951 HydrophobicContact CB-CB 4.09Å; T947-A951 PolarHBondContact O-N 3.16Å; K948-A951 PolarHBondContact O-N 3.48Å; R949-A951 PolarHBondContact O-N 3.49Å; A951-M954 PolarHBondContact O-N 3.29Å; A951-A955 PolarHBondContact O-N 3.11Å |
| 952 | A | 94.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 24.1 Ų | 24.1 | 11% | 0.107 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | I846 K948 R949 A955 Q956 | I846-A952 HydrophobicContact CG2-CB 4.32Å; K948-A952 PolarHBondContact O-N 3.12Å; K948-A952 VanDerWaalsContact O-N 3.16Å; R949-A952 PolarHBondContact O-N 3.29Å; A952-A955 PolarHBondContact O-N 3.14Å; A952-Q956 PolarHBondContact O-N 3.38Å |
| 953 | L | 95.7 | Very high | 91.7 | Very high | 19 Ų | 19 | 18.9 Ų | 18.9 | 10% | 0.099 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.5 | -36.4 | 176.5 | -69.4 | 167.9 | 0 | 0 | 0 | 112.3 | R949 M950 A955 Q956 L957 V974 A977 I978 | R949-L953 HydrophobicContact CG-CD1 4.09Å; R949-L953 WeakPolarHBondContact O-CB 3.39Å; R949-L953 VanDerWaalsContact O-CG 3.31Å; R949-L953 WeakPolarHBondContact O-CG 3.25Å; R949-L953 PolarHBondContact O-N 3.47Å; M950-L953 PolarHBondContact O-N 3.29Å; L953-A955 VanDerWaalsContact C-N 3.35Å; L953-Q956 WeakPolarHBondContact O-CB 3.45Å; L953-Q956 PolarHBondContact O-N 2.96Å; L953-L957 PolarHBondContact O-N 3.25Å; L953-V974 HydrophobicContact CB-CG1 4.45Å; L953-V974 VanDerWaalsContact O-CG1 3.3Å; L953-V974 WeakPolarHBondContact O-CG1 3.38Å; L953-A977 HydrophobicContact CD1-CB 3.91Å; L953-A977 HydrophobicContact CD2-CB 4.12Å; L953-I978 HydrophobicContact CB-CD1 4.19Å; L953-I978 HydrophobicContact CB-CG1 3.51Å; L953-I978 HydrophobicContact CD1-CG1 4.34Å |
| 954 | M | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.8 | -31.8 | 176.8 | -169.4 | 61.9 | 82 | 0 | 0 | 112.3 | I922 A926 M950 A951 L957 S958 I978 L1019 A1049 L1052 M1053 | I922-M954 HydrophobicContact CG2-CG 3.82Å; I922-M954 HydrophobicContact CG2-SD 3.51Å; I922-M954 VanDerWaalsContact CG2-SD 3.51Å; A926-M954 HydrophobicContact CB-CB 3.83Å; A926-M954 HydrophobicContact CB-CG 3.93Å; M950-M954 WeakPolarHBondContact O-CB 3.45Å; M950-M954 PolarHBondContact O-N 2.89Å; A951-M954 PolarHBondContact O-N 3.29Å; M954-L957 HydrophobicContact CE-CD2 4.43Å; M954-L957 PolarHBondContact O-N 2.91Å; M954-L957 HydrophobicContact SD-CB 4.17Å; M954-L957 HydrophobicContact SD-CD2 3.55Å; M954-L957 VanDerWaalsContact SD-CD2 3.55Å; M954-L957 HydrophobicContact SD-CG 4.49Å; M954-S958 PolarHBondContact O-N 3Å; M954-I978 HydrophobicContact CB-CD1 4.49Å; M954-I978 HydrophobicContact CE-CD1 4.15Å; M954-I978 HydrophobicContact CE-CG2 4.31Å; M954-I978 HydrophobicContact SD-CD1 4.14Å; M954-L1019 HydrophobicContact CE-CD2 4.4Å; M954-A1049 HydrophobicContact CE-CB 3.7Å; M954-A1049 HydrophobicContact SD-CB 3.7Å; M954-L1052 HydrophobicContact CE-CD2 4.27Å; M954-M1053 HydrophobicContact CB-CE 4.24Å; M954-M1053 HydrophobicContact CB-CG 4.4Å; M954-M1053 HydrophobicContact CB-SD 3.57Å; M954-M1053 VanDerWaalsContact CB-SD 3.57Å; M954-M1053 HydrophobicContact CE-CE 3.64Å; M954-M1053 HydrophobicContact CE-CG 4.07Å; M954-M1053 HydrophobicContact CE-SD 4.12Å; M954-M1053 HydrophobicContact CG-CE 4.4Å; M954-M1053 HydrophobicContact CG-CG 3.84Å; M954-M1053 HydrophobicContact CG-SD 3.69Å |
| 955 | A | 91.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | F913 M923 A926 A951 A952 L953 S958 Q959 | F913-A955 HydrophobicContact CE1-CB 4Å; F913-A955 HydrophobicContact CE2-CB 4.43Å; F913-A955 HydrophobicContact CZ-CB 3.7Å; M923-A955 HydrophobicContact CE-CB 4.04Å; M923-A955 WeakPolarHBondContact CE-O 3.36Å; M923-A955 HydrophobicContact SD-CB 3.63Å; A926-A955 HydrophobicContact CB-CB 4.12Å; A951-A955 PolarHBondContact O-N 3.11Å; A952-A955 PolarHBondContact O-N 3.14Å; L953-A955 VanDerWaalsContact C-N 3.35Å; A955-S958 WeakPolarHBondContact O-CB 3.47Å; A955-S958 PolarHBondContact O-N 3.36Å; A955-Q959 PolarHBondContact O-N 2.81Å |
| 956 | Q | 92.2 | Very high | 89.2 | Confident | 24 Ų | 24 | 27.2 Ų | 27.2 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 173 | -66.9 | 174.3 | -3.5 | 0 | 0 | 111.6 | L850 A952 L953 S958 Q959 I960 V974 | L850-Q956 HydrophobicContact CD1-CG 4.14Å; A952-Q956 PolarHBondContact O-N 3.38Å; L953-Q956 WeakPolarHBondContact O-CB 3.45Å; L953-Q956 PolarHBondContact O-N 2.96Å; Q956-S958 VanDerWaalsContact C-N 3.26Å; Q956-S958 PolarHBondContact O-N 3.12Å; Q956-Q959 PolarHBondContact O-N 2.91Å; Q956-I960 WeakPolarHBondContact O-CG1 3.5Å; Q956-I960 PolarHBondContact O-N 3.32Å; Q956-V974 HydrophobicContact CB-CG1 4.37Å |
| 957 | L | 92.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.3 | -44.3 | 175.3 | -163.7 | 83.1 | 0 | 0 | 0 | 110.9 | L953 M954 Q959 I960 V961 L971 V974 I978 L1019 | L953-L957 PolarHBondContact O-N 3.25Å; M954-L957 HydrophobicContact CE-CD2 4.43Å; M954-L957 PolarHBondContact O-N 2.91Å; M954-L957 HydrophobicContact SD-CB 4.17Å; M954-L957 HydrophobicContact SD-CD2 3.55Å; M954-L957 VanDerWaalsContact SD-CD2 3.55Å; M954-L957 HydrophobicContact SD-CG 4.49Å; L957-Q959 PolarHBondContact O-N 3.37Å; L957-I960 PolarHBondContact O-N 3.49Å; L957-V961 HydrophobicContact CG-CG2 4.32Å; L957-V961 WeakPolarHBondContact O-CB 3.34Å; L957-V961 VanDerWaalsContact O-CG2 3.24Å; L957-V961 WeakPolarHBondContact O-CG2 3.48Å; L957-V961 PolarHBondContact O-N 3.04Å; L957-L971 HydrophobicContact CD1-CD1 3.7Å; L957-L971 HydrophobicContact CG-CD1 4.33Å; L957-V974 HydrophobicContact CB-CG1 3.96Å; L957-V974 HydrophobicContact CD1-CB 4.23Å; L957-V974 HydrophobicContact CD1-CG1 3.88Å; L957-I978 HydrophobicContact CB-CD1 4Å; L957-I978 HydrophobicContact CD1-CD1 4.26Å; L957-I978 HydrophobicContact CD2-CD1 4.03Å; L957-I978 HydrophobicContact CG-CD1 4.32Å; L957-L1019 HydrophobicContact CD2-CD1 4.15Å |
| 958 | S | 89.9 | Confident | 88.2 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -30.9 | 177.6 | -171.2 | 0 | 0 | 0 | 0 | 113.9 | M923 M954 A955 Q956 R962 | M923-S958 PolarHBondContact N-OG 3.21Å; M923-S958 VanDerWaalsContact N-OG 3.1Å; M954-S958 PolarHBondContact O-N 3Å; A955-S958 WeakPolarHBondContact O-CB 3.47Å; A955-S958 PolarHBondContact O-N 3.36Å; Q956-S958 VanDerWaalsContact C-N 3.26Å; Q956-S958 PolarHBondContact O-N 3.12Å; S958-R962 WeakPolarHBondContact O-CG 3.25Å; S958-R962 PolarHBondContact O-NH1 3.49Å; S958-R962 PolarHBondContact OG-NH1 2.83Å |
| 959 | Q | 88.8 | Confident | 88 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 9% | 0.093 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -84.3 | -38.2 | -179.9 | -68.5 | 166.6 | -40.8 | 0 | 0 | 111.5 | M923 A955 Q956 L957 R962 G963 E964 Y965 | M923-Q959 HydrophobicContact CE-CG 3.88Å; A955-Q959 PolarHBondContact O-N 2.81Å; Q956-Q959 PolarHBondContact O-N 2.91Å; L957-Q959 PolarHBondContact O-N 3.37Å; Q959-R962 PolarHBondContact O-N 3.2Å; Q959-G963 PolarHBondContact O-N 2.87Å; Q959-E964 HydrophobicContact CB-CB 4.44Å; Q959-E964 PolarHBondContact O-N 3.13Å; Q959-E964 VanDerWaalsContact O-N 3.09Å; Q959-Y965 HydrophobicContact CB-CD1 4.17Å; Q959-Y965 HydrophobicContact CB-CE1 3.41Å; Q959-Y965 VanDerWaalsContact CB-CE1 3.41Å; Q959-Y965 HydrophobicContact CG-CE1 4.11Å; Q959-Y965 PolarHBondContact OE1-OH 2.93Å |
| 960 | I | 88.3 | Confident | 87.8 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 175.6 | -60.4 | 165.7 | 0 | 0 | 0 | 110.9 | Q956 L957 R962 G963 Y965 D970 L971 V974 | Q956-I960 WeakPolarHBondContact O-CG1 3.5Å; Q956-I960 PolarHBondContact O-N 3.32Å; L957-I960 PolarHBondContact O-N 3.49Å; I960-R962 VanDerWaalsContact C-N 3.26Å; I960-R962 PolarHBondContact O-N 2.68Å; I960-G963 PolarHBondContact O-N 3.32Å; I960-Y965 WeakPolarHBondContact CA-O 3.38Å; I960-Y965 HydrophobicContact CD1-CE2 4.23Å; I960-Y965 HydrophobicContact CG1-CD2 4.1Å; I960-Y965 HydrophobicContact CG1-CE2 3.74Å; I960-D970 HydrophobicContact CD1-CB 4.26Å; I960-L971 HydrophobicContact CG2-CB 3.84Å; I960-L971 HydrophobicContact CG2-CD1 4.07Å; I960-V974 HydrophobicContact CD1-CB 4.38Å; I960-V974 HydrophobicContact CD1-CG2 3.76Å |
| 961 | V | 86.6 | Confident | 87.6 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -32.9 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | I922 L957 G963 L971 T1042 L1045 | I922-V961 HydrophobicContact CD1-CB 4.36Å; I922-V961 HydrophobicContact CD1-CG1 4.17Å; I922-V961 HydrophobicContact CD1-CG2 4.3Å; L957-V961 HydrophobicContact CG-CG2 4.32Å; L957-V961 WeakPolarHBondContact O-CB 3.34Å; L957-V961 VanDerWaalsContact O-CG2 3.24Å; L957-V961 WeakPolarHBondContact O-CG2 3.48Å; L957-V961 PolarHBondContact O-N 3.04Å; V961-G963 VanDerWaalsContact C-N 3.32Å; V961-L971 HydrophobicContact CG2-CD1 3.59Å; V961-T1042 HydrophobicContact CG1-CG2 4.17Å; V961-L1045 HydrophobicContact CG1-CD2 4.46Å; V961-L1045 HydrophobicContact CG2-CD2 3.61Å |
| 962 | R | 82.3 | Confident | 87.4 | Confident | 76 Ų | 76 | 40.9 Ų | 40.9 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -77.3 | -13.4 | 172.6 | -71.1 | -168.7 | -57.8 | -107.4 | 15.9 | 114.2 | Q920 S958 Q959 I960 E964 | Q920-R962 VanDerWaalsContact CG-NH1 3.34Å; S958-R962 WeakPolarHBondContact O-CG 3.25Å; S958-R962 PolarHBondContact O-NH1 3.49Å; S958-R962 PolarHBondContact OG-NH1 2.83Å; Q959-R962 PolarHBondContact O-N 3.2Å; I960-R962 VanDerWaalsContact C-N 3.26Å; I960-R962 PolarHBondContact O-N 2.68Å; R962-E964 HydrophobicContact CB-CG 4.39Å; R962-E964 IonicContact CZ-OE1 3.65Å; R962-E964 IonicContact NE-OE1 2.72Å; R962-E964 PolarHBondContact NE-OE1 2.99Å; R962-E964 IonicContact NH2-OE1 3.67Å; R962-E964 PolarHBondContact NH2-OE1 3.28Å; R962-E964 IonicContact NH2-OE2 3.25Å |
| 963 | G | 79.3 | Confident | 87.4 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 22.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q959 I960 V961 Y965 | Q959-G963 PolarHBondContact O-N 2.87Å; I960-G963 PolarHBondContact O-N 3.32Å; V961-G963 VanDerWaalsContact C-N 3.32Å; G963-Y965 VanDerWaalsContact C-N 3.26Å; G963-Y965 PolarHBondContact O-N 3.08Å |
| 964 | E | 78.2 | Confident | 87.4 | Confident | 85 Ų | 85 | 43 Ų | 43 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -65.2 | -33.1 | 174.1 | -74.6 | -177.8 | -146.8 | 0 | 0 | 112.1 | K853 Q959 R962 | K853-E964 IonicContact NZ-OE2 2.7Å; Q959-E964 HydrophobicContact CB-CB 4.44Å; Q959-E964 PolarHBondContact O-N 3.13Å; Q959-E964 VanDerWaalsContact O-N 3.09Å; R962-E964 HydrophobicContact CB-CG 4.39Å; R962-E964 IonicContact CZ-OE1 3.65Å; R962-E964 IonicContact NE-OE1 2.72Å; R962-E964 PolarHBondContact NE-OE1 2.99Å; R962-E964 IonicContact NH2-OE1 3.67Å; R962-E964 PolarHBondContact NH2-OE1 3.28Å; R962-E964 IonicContact NH2-OE2 3.25Å |
| 965 | Y | 74.5 | Confident | 87.4 | Confident | 83 Ų | 83 | 43.1 Ų | 43.1 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -161.8 | 173.4 | 171.7 | 62.5 | -95.2 | 0 | 0 | 0 | 110 | Q959 I960 G963 | Q959-Y965 HydrophobicContact CB-CD1 4.17Å; Q959-Y965 HydrophobicContact CB-CE1 3.41Å; Q959-Y965 VanDerWaalsContact CB-CE1 3.41Å; Q959-Y965 HydrophobicContact CG-CE1 4.11Å; Q959-Y965 PolarHBondContact OE1-OH 2.93Å; I960-Y965 WeakPolarHBondContact CA-O 3.38Å; I960-Y965 HydrophobicContact CD1-CE2 4.23Å; I960-Y965 HydrophobicContact CG1-CD2 4.1Å; I960-Y965 HydrophobicContact CG1-CE2 3.74Å; G963-Y965 VanDerWaalsContact C-N 3.26Å; G963-Y965 PolarHBondContact O-N 3.08Å |
| 966 | G | 75.5 | Confident | 87.5 | Confident | 45 Ų | 45 | 47.3 Ų | 47.3 | 46% | 0.464 | 25% | 0.249 | S | C | . | . | trans | 87.7 | 162.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 967 | T | 84.5 | Confident | 87.7 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | trans | -109.6 | 174.3 | -176.8 | 71.6 | 0 | 0 | 0 | 0 | 111.9 | K969 D970 L971 | T967-K969 PolarHBondContact O-N 3.45Å; T967-K969 VanDerWaalsContact O-N 3.15Å; T967-K969 WeakPolarHBondContact OG1-CB 3.49Å; T967-K969 PolarHBondContact OG1-N 3.09Å; T967-D970 VanDerWaalsContact CB-OD2 3.3Å; T967-D970 WeakPolarHBondContact CB-OD2 3.13Å; T967-D970 WeakPolarHBondContact CG2-OD2 3.38Å; T967-D970 PolarHBondContact N-OD2 2.96Å; T967-D970 PolarHBondContact O-N 3.21Å; T967-D970 PolarHBondContact OG1-N 2.79Å; T967-D970 PolarHBondContact OG1-OD2 2.86Å; T967-L971 PolarHBondContact O-N 3.16Å; T967-L971 VanDerWaalsContact O-N 3.11Å | ||
| 968 | K | 85.8 | Confident | 87.8 | Confident | 94 Ų | 94 | 47.5 Ų | 47.5 | 41% | 0.409 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -48.7 | -37.6 | 166.9 | -64.3 | -174.1 | 173 | -143.5 | 0 | 112.8 | I972 A1027 T1028 L1030 | K968-I972 WeakPolarHBondContact O-CG1 3.3Å; K968-I972 PolarHBondContact O-N 2.95Å; K968-A1027 HydrophobicContact CB-CB 4.43Å; K968-A1027 WeakPolarHBondContact CD-O 3.27Å; K968-A1027 VanDerWaalsContact CE-O 3.31Å; K968-A1027 WeakPolarHBondContact CE-O 3.32Å; K968-A1027 VanDerWaalsContact CG-O 3.32Å; K968-A1027 WeakPolarHBondContact CG-O 3.44Å; K968-A1027 PolarHBondContact NZ-O 3.15Å; K968-T1028 PolarHBondContact NZ-O 3.43Å; K968-L1030 HydrophobicContact CD-CB 4.41Å; K968-L1030 WeakPolarHBondContact CE-O 3.44Å; K968-L1030 HydrophobicContact CG-CB 3.82Å; K968-L1030 HydrophobicContact CG-CD1 4.3Å; K968-L1030 PolarHBondContact NZ-O 2.98Å |
| 969 | K | 89.1 | Confident | 88 | Confident | 144 Ų | 144 | 47.8 Ų | 47.8 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -69.7 | -37.7 | 179.3 | -167.5 | -176.5 | 178.9 | -175 | 0 | 111.1 | T967 I972 N973 | T967-K969 PolarHBondContact O-N 3.45Å; T967-K969 VanDerWaalsContact O-N 3.15Å; T967-K969 WeakPolarHBondContact OG1-CB 3.49Å; T967-K969 PolarHBondContact OG1-N 3.09Å; K969-I972 PolarHBondContact O-N 3.49Å; K969-N973 WeakPolarHBondContact O-CB 3.48Å; K969-N973 PolarHBondContact O-N 3.49Å; K969-N973 PolarHBondContact O-ND2 2.96Å; K969-N973 PolarHBondContact O-OD1 3.01Å |
| 970 | D | 90.8 | Very high | 88.3 | Confident | 55 Ų | 55 | 53.1 Ų | 53.1 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -74.7 | -34.1 | -176.5 | -51.6 | -51.4 | 0 | 0 | 0 | 111.9 | I960 T967 I972 N973 V974 | I960-D970 HydrophobicContact CD1-CB 4.26Å; T967-D970 VanDerWaalsContact CB-OD2 3.3Å; T967-D970 WeakPolarHBondContact CB-OD2 3.13Å; T967-D970 WeakPolarHBondContact CG2-OD2 3.38Å; T967-D970 PolarHBondContact N-OD2 2.96Å; T967-D970 PolarHBondContact O-N 3.21Å; T967-D970 PolarHBondContact OG1-N 2.79Å; T967-D970 PolarHBondContact OG1-OD2 2.86Å; D970-I972 VanDerWaalsContact C-N 3.31Å; D970-I972 PolarHBondContact O-N 3.43Å; D970-N973 PolarHBondContact O-N 3.25Å; D970-V974 WeakPolarHBondContact O-CB 3.4Å; D970-V974 WeakPolarHBondContact O-CG2 3.44Å; D970-V974 PolarHBondContact O-N 3.24Å |
| 971 | L | 90.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 168.8 | -174.3 | 66.5 | 0 | 0 | 0 | 111.4 | L957 I960 V961 T967 S975 K1026 A1027 L1030 | L957-L971 HydrophobicContact CD1-CD1 3.7Å; L957-L971 HydrophobicContact CG-CD1 4.33Å; I960-L971 HydrophobicContact CG2-CB 3.84Å; I960-L971 HydrophobicContact CG2-CD1 4.07Å; V961-L971 HydrophobicContact CG2-CD1 3.59Å; T967-L971 PolarHBondContact O-N 3.16Å; T967-L971 VanDerWaalsContact O-N 3.11Å; L971-S975 WeakPolarHBondContact O-CB 3.37Å; L971-S975 PolarHBondContact O-N 3.49Å; L971-S975 VanDerWaalsContact O-N 3.1Å; L971-S975 PolarHBondContact O-OG 2.91Å; L971-K1026 HydrophobicContact CD2-CB 4.04Å; L971-K1026 HydrophobicContact CD2-CG 3.86Å; L971-A1027 HydrophobicContact CD2-CB 4.22Å; L971-L1030 HydrophobicContact CB-CD1 4.31Å; L971-L1030 HydrophobicContact CD2-CD1 3.78Å |
| 972 | I | 91.1 | Very high | 89 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.6 | -43.1 | 177.2 | -62.7 | 168.7 | 0 | 0 | 0 | 110.5 | K968 K969 D970 S975 M976 A1027 | K968-I972 WeakPolarHBondContact O-CG1 3.3Å; K968-I972 PolarHBondContact O-N 2.95Å; K969-I972 PolarHBondContact O-N 3.49Å; D970-I972 VanDerWaalsContact C-N 3.31Å; D970-I972 PolarHBondContact O-N 3.43Å; I972-S975 WeakPolarHBondContact CA-OG 3.19Å; I972-S975 PolarHBondContact O-OG 3.44Å; I972-M976 HydrophobicContact CG2-CE 4.09Å; I972-M976 HydrophobicContact CG2-CG 4.45Å; I972-M976 HydrophobicContact CG2-SD 4.29Å; I972-M976 WeakPolarHBondContact O-CB 3.31Å; I972-M976 VanDerWaalsContact O-CG 3.27Å; I972-M976 WeakPolarHBondContact O-CG 3.41Å; I972-M976 PolarHBondContact O-N 2.95Å; I972-A1027 HydrophobicContact CD1-CB 3.71Å; I972-A1027 HydrophobicContact CG1-CB 3.69Å |
| 973 | N | 94.2 | Very high | 89.7 | Confident | 64 Ų | 64 | 53.1 Ų | 53.1 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 177.8 | -65.4 | -22.6 | 0 | 0 | 0 | 112.1 | K969 D970 M976 A977 | K969-N973 WeakPolarHBondContact O-CB 3.48Å; K969-N973 PolarHBondContact O-N 3.49Å; K969-N973 PolarHBondContact O-ND2 2.96Å; K969-N973 PolarHBondContact O-OD1 3.01Å; D970-N973 PolarHBondContact O-N 3.25Å; N973-M976 PolarHBondContact O-N 3.41Å; N973-A977 WeakPolarHBondContact O-CB 3.5Å; N973-A977 PolarHBondContact O-N 2.96Å |
| 974 | V | 94.8 | Very high | 90.4 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 9% | 0.085 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -41.6 | -178.6 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | L953 Q956 L957 I960 D970 M976 A977 I978 | L953-V974 HydrophobicContact CB-CG1 4.45Å; L953-V974 VanDerWaalsContact O-CG1 3.3Å; L953-V974 WeakPolarHBondContact O-CG1 3.38Å; Q956-V974 HydrophobicContact CB-CG1 4.37Å; L957-V974 HydrophobicContact CB-CG1 3.96Å; L957-V974 HydrophobicContact CD1-CB 4.23Å; L957-V974 HydrophobicContact CD1-CG1 3.88Å; I960-V974 HydrophobicContact CD1-CB 4.38Å; I960-V974 HydrophobicContact CD1-CG2 3.76Å; D970-V974 WeakPolarHBondContact O-CB 3.4Å; D970-V974 WeakPolarHBondContact O-CG2 3.44Å; D970-V974 PolarHBondContact O-N 3.24Å; V974-M976 PolarHBondContact O-N 3.42Å; V974-A977 PolarHBondContact O-N 3.34Å; V974-I978 HydrophobicContact CG1-CD1 3.99Å; V974-I978 HydrophobicContact CG1-CG1 4.45Å; V974-I978 VanDerWaalsContact O-CG1 3.3Å; V974-I978 WeakPolarHBondContact O-CG1 3.44Å; V974-I978 PolarHBondContact O-N 2.91Å |
| 975 | S | 94.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -34 | 175.6 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | L971 I972 A979 S1023 | L971-S975 WeakPolarHBondContact O-CB 3.37Å; L971-S975 PolarHBondContact O-N 3.49Å; L971-S975 VanDerWaalsContact O-N 3.1Å; L971-S975 PolarHBondContact O-OG 2.91Å; I972-S975 WeakPolarHBondContact CA-OG 3.19Å; I972-S975 PolarHBondContact O-OG 3.44Å; S975-A979 WeakPolarHBondContact O-CB 3.32Å; S975-A979 PolarHBondContact O-N 3.12Å; S975-A979 VanDerWaalsContact O-N 3.11Å; S975-S1023 VanDerWaalsContact CB-OG 3.23Å; S975-S1023 WeakPolarHBondContact CB-OG 3.3Å; S975-S1023 WeakPolarHBondContact OG-CB 3.45Å |
| 976 | M | 93.7 | Very high | 92.2 | Very high | 89 Ų | 89 | 46 Ų | 46 | 44% | 0.438 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 168.1 | -73 | -171.5 | -53.7 | 0 | 0 | 112.1 | I972 N973 V974 I978 A979 E980 | I972-M976 HydrophobicContact CG2-CE 4.09Å; I972-M976 HydrophobicContact CG2-CG 4.45Å; I972-M976 HydrophobicContact CG2-SD 4.29Å; I972-M976 WeakPolarHBondContact O-CB 3.31Å; I972-M976 VanDerWaalsContact O-CG 3.27Å; I972-M976 WeakPolarHBondContact O-CG 3.41Å; I972-M976 PolarHBondContact O-N 2.95Å; N973-M976 PolarHBondContact O-N 3.41Å; V974-M976 PolarHBondContact O-N 3.42Å; M976-I978 PolarHBondContact O-N 3.3Å; M976-A979 PolarHBondContact O-N 3.41Å; M976-A979 VanDerWaalsContact O-N 3.16Å; M976-E980 PolarHBondContact O-N 3.25Å |
| 977 | A | 96.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 24% | 0.24 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L953 N973 V974 E980 A981 | L953-A977 HydrophobicContact CD1-CB 3.91Å; L953-A977 HydrophobicContact CD2-CB 4.12Å; N973-A977 WeakPolarHBondContact O-CB 3.5Å; N973-A977 PolarHBondContact O-N 2.96Å; V974-A977 PolarHBondContact O-N 3.34Å; A977-E980 PolarHBondContact O-N 2.86Å; A977-A981 WeakPolarHBondContact O-CB 3.48Å; A977-A981 PolarHBondContact O-N 3.3Å |
| 978 | I | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 171.8 | -67.1 | 165.5 | 0 | 0 | 0 | 110.2 | M950 L953 M954 L957 V974 M976 A981 S982 L1019 L1052 | M950-I978 HydrophobicContact CE-CG2 4.13Å; L953-I978 HydrophobicContact CB-CD1 4.19Å; L953-I978 HydrophobicContact CB-CG1 3.51Å; L953-I978 HydrophobicContact CD1-CG1 4.34Å; M954-I978 HydrophobicContact CB-CD1 4.49Å; M954-I978 HydrophobicContact CE-CD1 4.15Å; M954-I978 HydrophobicContact CE-CG2 4.31Å; M954-I978 HydrophobicContact SD-CD1 4.14Å; L957-I978 HydrophobicContact CB-CD1 4Å; L957-I978 HydrophobicContact CD1-CD1 4.26Å; L957-I978 HydrophobicContact CD2-CD1 4.03Å; L957-I978 HydrophobicContact CG-CD1 4.32Å; V974-I978 HydrophobicContact CG1-CD1 3.99Å; V974-I978 HydrophobicContact CG1-CG1 4.45Å; V974-I978 VanDerWaalsContact O-CG1 3.3Å; V974-I978 WeakPolarHBondContact O-CG1 3.44Å; V974-I978 PolarHBondContact O-N 2.91Å; M976-I978 PolarHBondContact O-N 3.3Å; I978-A981 PolarHBondContact O-N 3.07Å; I978-S982 WeakPolarHBondContact O-CB 3.43Å; I978-S982 PolarHBondContact O-N 3.07Å; I978-L1019 HydrophobicContact CB-CD2 3.78Å; I978-L1019 HydrophobicContact CD1-CD2 4.1Å; I978-L1019 HydrophobicContact CG2-CD2 3.43Å; I978-L1019 VanDerWaalsContact CG2-CD2 3.43Å; I978-L1052 HydrophobicContact CG2-CD2 3.54Å |
| 979 | A | 93.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 7% | 0.074 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.7 | -36.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S975 M976 S982 L983 G1016 K1020 | S975-A979 WeakPolarHBondContact O-CB 3.32Å; S975-A979 PolarHBondContact O-N 3.12Å; S975-A979 VanDerWaalsContact O-N 3.11Å; M976-A979 PolarHBondContact O-N 3.41Å; M976-A979 VanDerWaalsContact O-N 3.16Å; A979-S982 WeakPolarHBondContact CA-OG 3.13Å; A979-S982 PolarHBondContact O-N 3.36Å; A979-S982 PolarHBondContact O-OG 3.22Å; A979-L983 PolarHBondContact O-N 3.45Å; A979-L983 VanDerWaalsContact O-N 3.12Å; A979-G1016 WeakPolarHBondContact CB-O 3.32Å; A979-K1020 HydrophobicContact CB-CD 3.39Å; A979-K1020 HydrophobicContact CB-CG 3.72Å |
| 980 | E | 95.4 | Very high | 94.2 | Very high | 133 Ų | 133 | 37.8 Ų | 37.8 | 62% | 0.621 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.5 | -47.4 | 171.3 | -172.9 | 170.7 | -158.1 | 0 | 0 | 111 | M976 A977 S982 L983 D984 | M976-E980 PolarHBondContact O-N 3.25Å; A977-E980 PolarHBondContact O-N 2.86Å; E980-S982 VanDerWaalsContact C-N 3.26Å; E980-S982 PolarHBondContact O-N 2.87Å; E980-L983 WeakPolarHBondContact O-CA 3.36Å; E980-L983 WeakPolarHBondContact O-CB 3.36Å; E980-L983 PolarHBondContact O-N 3.49Å; E980-D984 PolarHBondContact O-N 3.48Å |
| 981 | A | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.7 | -27.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M950 A977 I978 L983 D984 V985 | M950-A981 HydrophobicContact CG-CB 3.52Å; M950-A981 HydrophobicContact SD-CB 4.48Å; A977-A981 WeakPolarHBondContact O-CB 3.48Å; A977-A981 PolarHBondContact O-N 3.3Å; I978-A981 PolarHBondContact O-N 3.07Å; A981-L983 VanDerWaalsContact C-N 3.28Å; A981-L983 PolarHBondContact O-N 3.13Å; A981-D984 WeakPolarHBondContact O-CB 3.41Å; A981-D984 PolarHBondContact O-N 3.23Å; A981-V985 WeakPolarHBondContact O-CG2 3.41Å; A981-V985 PolarHBondContact O-N 2.97Å; A981-V985 VanDerWaalsContact O-N 3.14Å |
| 982 | S | 94.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.2 | -27.3 | 171.4 | 84.3 | 0 | 0 | 0 | 0 | 112.6 | I978 A979 E980 N986 | I978-S982 WeakPolarHBondContact O-CB 3.43Å; I978-S982 PolarHBondContact O-N 3.07Å; A979-S982 WeakPolarHBondContact CA-OG 3.13Å; A979-S982 PolarHBondContact O-N 3.36Å; A979-S982 PolarHBondContact O-OG 3.22Å; E980-S982 VanDerWaalsContact C-N 3.26Å; E980-S982 PolarHBondContact O-N 2.87Å; S982-N986 PolarHBondContact O-N 2.94Å |
| 983 | L | 95.1 | Very high | 94.4 | Very high | 95 Ų | 95 | 34.5 Ų | 34.5 | 50% | 0.497 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -77.3 | -38 | 174.5 | -167.6 | 151.1 | 0 | 0 | 0 | 111.1 | A979 E980 A981 V985 N986 Q987 L1013 | A979-L983 PolarHBondContact O-N 3.45Å; A979-L983 VanDerWaalsContact O-N 3.12Å; E980-L983 WeakPolarHBondContact O-CA 3.36Å; E980-L983 WeakPolarHBondContact O-CB 3.36Å; E980-L983 PolarHBondContact O-N 3.49Å; A981-L983 VanDerWaalsContact C-N 3.28Å; A981-L983 PolarHBondContact O-N 3.13Å; L983-V985 VanDerWaalsContact C-N 3.27Å; L983-V985 PolarHBondContact O-N 3.17Å; L983-N986 PolarHBondContact O-N 3.48Å; L983-Q987 WeakPolarHBondContact O-CB 3.4Å; L983-Q987 PolarHBondContact O-N 2.6Å; L983-L1013 HydrophobicContact CD1-CD1 4.33Å |
| 984 | D | 95.4 | Very high | 94.3 | Very high | 55 Ų | 55 | 38 Ų | 38 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.2 | -45.7 | 167.5 | -74.2 | -7.8 | 0 | 0 | 0 | 110.7 | A946 R949 E980 A981 Q987 C988 | A946-D984 HydrophobicContact CB-CB 3.78Å; R949-D984 IonicContact CZ-OD2 3.79Å; R949-D984 IonicContact NH1-OD2 3.46Å; R949-D984 PolarHBondContact NH1-OD2 2.95Å; R949-D984 IonicContact NH2-OD2 3.51Å; R949-D984 PolarHBondContact NH2-OD2 3.2Å; E980-D984 PolarHBondContact O-N 3.48Å; A981-D984 WeakPolarHBondContact O-CB 3.41Å; A981-D984 PolarHBondContact O-N 3.23Å; D984-Q987 PolarHBondContact O-N 3.22Å; D984-C988 WeakPolarHBondContact O-CB 3.48Å; D984-C988 PolarHBondContact O-N 3.01Å; D984-C988 PolarHBondContact O-SG 3.47Å |
| 985 | V | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 112 | L943 A946 T947 M950 A981 L983 Q987 C988 A989 I1012 T1059 | L943-V985 HydrophobicContact CD1-CB 4.37Å; L943-V985 HydrophobicContact CD1-CG1 3.92Å; L943-V985 HydrophobicContact CD1-CG2 4.25Å; A946-V985 HydrophobicContact CB-CG2 3.88Å; T947-V985 HydrophobicContact CG2-CG2 3.65Å; M950-V985 HydrophobicContact SD-CG2 3.75Å; A981-V985 WeakPolarHBondContact O-CG2 3.41Å; A981-V985 PolarHBondContact O-N 2.97Å; A981-V985 VanDerWaalsContact O-N 3.14Å; L983-V985 VanDerWaalsContact C-N 3.27Å; L983-V985 PolarHBondContact O-N 3.17Å; V985-Q987 VanDerWaalsContact C-N 3.31Å; V985-Q987 PolarHBondContact O-N 2.9Å; V985-C988 PolarHBondContact O-N 2.83Å; V985-A989 VanDerWaalsContact O-CB 3.29Å; V985-A989 WeakPolarHBondContact O-CB 3.46Å; V985-A989 PolarHBondContact O-N 2.96Å; V985-I1012 HydrophobicContact CG1-CD1 3.87Å; V985-T1059 HydrophobicContact CG1-CG2 4.24Å |
| 986 | N | 93.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57 | -44.5 | 175.2 | -178.3 | -90.5 | 0 | 0 | 0 | 111.3 | S982 L983 A989 K990 S1009 D1010 | S982-N986 PolarHBondContact O-N 2.94Å; L983-N986 PolarHBondContact O-N 3.48Å; N986-A989 PolarHBondContact O-N 3.21Å; N986-K990 PolarHBondContact ND2-NZ 3.16Å; N986-K990 WeakPolarHBondContact O-CB 3.44Å; N986-K990 WeakPolarHBondContact O-CG 3.38Å; N986-K990 PolarHBondContact O-N 3.31Å; N986-K990 WeakPolarHBondContact OD1-CD 3.42Å; N986-K990 VanDerWaalsContact OD1-CE 3.27Å; N986-K990 WeakPolarHBondContact OD1-CE 3.44Å; N986-K990 PolarHBondContact OD1-NZ 2.72Å; N986-S1009 PolarHBondContact ND2-O 3.46Å; N986-D1010 PolarHBondContact ND2-OD1 2.83Å; N986-D1010 VanDerWaalsContact ND2-OD1 3.11Å |
| 987 | Q | 95 | Very high | 93.9 | Very high | 112 Ų | 112 | 34.5 Ų | 34.5 | 52% | 0.523 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.6 | -45.3 | 179.9 | -176.6 | 62 | 16.4 | 0 | 0 | 112 | L983 D984 V985 K990 V991 | L983-Q987 WeakPolarHBondContact O-CB 3.4Å; L983-Q987 PolarHBondContact O-N 2.6Å; D984-Q987 PolarHBondContact O-N 3.22Å; V985-Q987 VanDerWaalsContact C-N 3.31Å; V985-Q987 PolarHBondContact O-N 2.9Å; Q987-K990 PolarHBondContact O-N 2.98Å; Q987-V991 WeakPolarHBondContact O-CG2 3.29Å; Q987-V991 PolarHBondContact O-N 3.11Å |
| 988 | C | 94.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 10% | 0.095 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 175 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | L943 D984 V985 K990 V991 L992 | L943-C988 HydrophobicContact CB-CB 3.97Å; L943-C988 HydrophobicContact CD1-CB 3.96Å; L943-C988 HydrophobicContact CG-CB 4.47Å; D984-C988 WeakPolarHBondContact O-CB 3.48Å; D984-C988 PolarHBondContact O-N 3.01Å; D984-C988 PolarHBondContact O-SG 3.47Å; V985-C988 PolarHBondContact O-N 2.83Å; C988-K990 VanDerWaalsContact C-N 3.35Å; C988-K990 PolarHBondContact O-N 2.99Å; C988-V991 PolarHBondContact O-N 3.02Å; C988-L992 WeakPolarHBondContact O-CB 3.45Å; C988-L992 PolarHBondContact O-N 3.35Å |
| 989 | A | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V985 N986 L992 A993 L1005 T1059 | V985-A989 VanDerWaalsContact O-CB 3.29Å; V985-A989 WeakPolarHBondContact O-CB 3.46Å; V985-A989 PolarHBondContact O-N 2.96Å; N986-A989 PolarHBondContact O-N 3.21Å; A989-L992 PolarHBondContact O-N 3.36Å; A989-A993 WeakPolarHBondContact O-CB 3.17Å; A989-A993 PolarHBondContact O-N 2.95Å; A989-L1005 HydrophobicContact CB-CD1 4.03Å; A989-L1005 HydrophobicContact CB-CG 4.28Å; A989-T1059 HydrophobicContact CB-CG2 3.96Å |
| 990 | K | 93.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 42 Ų | 42 | 27% | 0.265 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.3 | -37.9 | 177.7 | -78 | 176 | -180 | 166.9 | 0 | 113.9 | N986 Q987 C988 K994 L1006 S1009 D1010 | N986-K990 PolarHBondContact ND2-NZ 3.16Å; N986-K990 WeakPolarHBondContact O-CB 3.44Å; N986-K990 WeakPolarHBondContact O-CG 3.38Å; N986-K990 PolarHBondContact O-N 3.31Å; N986-K990 WeakPolarHBondContact OD1-CD 3.42Å; N986-K990 VanDerWaalsContact OD1-CE 3.27Å; N986-K990 WeakPolarHBondContact OD1-CE 3.44Å; N986-K990 PolarHBondContact OD1-NZ 2.72Å; Q987-K990 PolarHBondContact O-N 2.98Å; C988-K990 VanDerWaalsContact C-N 3.35Å; C988-K990 PolarHBondContact O-N 2.99Å; K990-K994 VanDerWaalsContact O-CB 3.29Å; K990-K994 WeakPolarHBondContact O-CB 3.48Å; K990-K994 PolarHBondContact O-N 3Å; K990-L1006 HydrophobicContact CG-CD2 3.91Å; K990-S1009 WeakPolarHBondContact CE-OG 3.34Å; K990-D1010 WeakPolarHBondContact CE-OD1 3.18Å; K990-D1010 IonicContact NZ-OD1 3.4Å; K990-D1010 PolarHBondContact NZ-OD1 3.1Å; K990-D1010 IonicContact NZ-OD2 2.88Å |
| 991 | V | 92.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 24% | 0.236 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 173.2 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | Q987 C988 K994 E995 Y1076 | Q987-V991 WeakPolarHBondContact O-CG2 3.29Å; Q987-V991 PolarHBondContact O-N 3.11Å; C988-V991 PolarHBondContact O-N 3.02Å; V991-K994 PolarHBondContact O-N 3.47Å; V991-E995 PolarHBondContact O-N 2.92Å; V991-Y1076 HydrophobicContact CG1-CD1 4.13Å; V991-Y1076 HydrophobicContact CG1-CE1 4.11Å; V991-Y1076 HydrophobicContact CG1-CG 4.4Å |
| 992 | L | 92.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -46 | 177.2 | 178.3 | 54.4 | 0 | 0 | 0 | 112.5 | C988 A989 K994 E995 C996 L1005 A1063 A1066 M1070 F1078 | C988-L992 WeakPolarHBondContact O-CB 3.45Å; C988-L992 PolarHBondContact O-N 3.35Å; A989-L992 PolarHBondContact O-N 3.36Å; L992-K994 VanDerWaalsContact C-N 3.32Å; L992-K994 PolarHBondContact O-N 2.92Å; L992-E995 CarbonylContact O-C 3.54Å; L992-E995 PolarHBondContact O-N 2.88Å; L992-E995 VanDerWaalsContact O-N 3.14Å; L992-C996 PolarHBondContact O-N 3.45Å; L992-L1005 HydrophobicContact CB-CD2 4.22Å; L992-L1005 HydrophobicContact CD2-CD2 4.08Å; L992-L1005 HydrophobicContact CG-CD2 3.92Å; L992-A1063 HydrophobicContact CD2-CB 3.51Å; L992-A1063 WeakPolarHBondContact CD2-O 3.33Å; L992-A1066 HydrophobicContact CD1-CB 4.28Å; L992-A1066 HydrophobicContact CD2-CB 4.19Å; L992-A1066 HydrophobicContact CG-CB 3.98Å; L992-M1070 HydrophobicContact CD1-CE 4.38Å; L992-M1070 HydrophobicContact CD1-CG 3.71Å; L992-M1070 HydrophobicContact CD1-SD 3.52Å; L992-M1070 VanDerWaalsContact CD1-SD 3.52Å; L992-F1078 HydrophobicContact CB-CD2 4.34Å; L992-F1078 HydrophobicContact CB-CE2 3.74Å; L992-F1078 HydrophobicContact CB-CZ 3.98Å; L992-F1078 HydrophobicContact CD1-CD2 3.84Å; L992-F1078 HydrophobicContact CD1-CE2 4.06Å; L992-F1078 HydrophobicContact CD2-CD2 4.38Å; L992-F1078 HydrophobicContact CD2-CE2 4.46Å; L992-F1078 HydrophobicContact CD2-CG 4.48Å; L992-F1078 HydrophobicContact CG-CD2 4.42Å; L992-F1078 HydrophobicContact CG-CE2 4.31Å |
| 993 | A | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A989 E995 C996 R1002 L1005 L1006 | A989-A993 WeakPolarHBondContact O-CB 3.17Å; A989-A993 PolarHBondContact O-N 2.95Å; A993-E995 VanDerWaalsContact C-N 3.26Å; A993-E995 PolarHBondContact O-N 3.27Å; A993-C996 WeakPolarHBondContact O-CB 3.37Å; A993-C996 PolarHBondContact O-N 3.02Å; A993-R1002 HydrophobicContact CB-CG 4.17Å; A993-R1002 WeakPolarHBondContact O-CD 3.4Å; A993-R1002 WeakPolarHBondContact O-CG 3.43Å; A993-L1005 HydrophobicContact CB-CB 4.18Å; A993-L1005 HydrophobicContact CB-CD2 3.92Å; A993-L1005 HydrophobicContact CB-CG 4.06Å; A993-L1006 HydrophobicContact CB-CD2 3.73Å; A993-L1006 HydrophobicContact CB-CG 3.85Å |
| 994 | K | 91.9 | Very high | 91.5 | Very high | 136 Ų | 136 | 41.2 Ų | 41.2 | 59% | 0.591 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -57.2 | -39.4 | 176.3 | -178 | -167 | 166.6 | -145 | 0 | 112.2 | K990 V991 L992 R1071 | K990-K994 VanDerWaalsContact O-CB 3.29Å; K990-K994 WeakPolarHBondContact O-CB 3.48Å; K990-K994 PolarHBondContact O-N 3Å; V991-K994 PolarHBondContact O-N 3.47Å; L992-K994 VanDerWaalsContact C-N 3.32Å; L992-K994 PolarHBondContact O-N 2.92Å; K994-R1071 PolarHBondContact O-NH1 3.4Å; K994-R1071 PolarHBondContact O-NH2 3.48Å |
| 995 | E | 90.9 | Very high | 91.2 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -90.2 | -5.9 | -178.8 | -57.1 | -49.8 | 146.6 | 0 | 0 | 114.6 | V991 L992 A993 M1070 R1071 Y1076 | V991-E995 PolarHBondContact O-N 2.92Å; L992-E995 CarbonylContact O-C 3.54Å; L992-E995 PolarHBondContact O-N 2.88Å; L992-E995 VanDerWaalsContact O-N 3.14Å; A993-E995 VanDerWaalsContact C-N 3.26Å; A993-E995 PolarHBondContact O-N 3.27Å; E995-M1070 HydrophobicContact CB-CE 4.31Å; E995-M1070 CarbonylContact O-C 3.52Å; E995-M1070 WeakPolarHBondContact O-CA 3.35Å; E995-R1071 PolarHBondContact O-N 3.31Å; E995-R1071 IonicContact OE2-NH1 2.7Å; E995-R1071 PolarHBondContact OE2-NH1 3.15Å; E995-Y1076 HydrophobicContact CG-CD2 4.39Å |
| 996 | C | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 129.7 | 170.1 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | L992 A993 R1002 A1066 K1069 | L992-C996 PolarHBondContact O-N 3.45Å; A993-C996 WeakPolarHBondContact O-CB 3.37Å; A993-C996 PolarHBondContact O-N 3.02Å; C996-R1002 HydrophobicContact CB-CB 4.24Å; C996-R1002 PolarHBondContact O-NH1 3.12Å; C996-A1066 HydrophobicContact CB-CB 4.36Å; C996-K1069 WeakPolarHBondContact CA-O 3.47Å |
| 997 | T | 91.9 | Very high | 90.4 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | trans | -84.1 | -18.5 | 177.1 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | S584 E585 D586 K1069 R1071 | S584-T997 CarbonylContact C-O 3.52Å; E585-T997 HydrophobicContact CB-CG2 4.45Å; E585-T997 PolarHBondContact N-O 3.46Å; D586-T997 HydrophobicContact CB-CG2 4.21Å; T997-K1069 PolarHBondContact N-O 3.4Å; T997-K1069 PolarHBondContact OG1-O 3.24Å; T997-R1071 HydrophobicContact CG2-CB 4.42Å; T997-R1071 HydrophobicContact CG2-CG 3.45Å; T997-R1071 VanDerWaalsContact CG2-CG 3.45Å | ||
| 998 | D | 91.6 | Very high | 89.8 | Confident | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -84.7 | 116.1 | -180 | -167.7 | -61.6 | 0 | 0 | 0 | 110.4 | N583 R1000 I1001 R1002 K1069 | N583-D998 PolarHBondContact ND2-OD1 2.95Å; N583-D998 PolarHBondContact ND2-OD2 2.67Å; N583-D998 PolarHBondContact OD1-OD1 3.19Å; D998-R1000 PolarHBondContact O-N 2.64Å; D998-R1000 PolarHBondContact OD1-N 3.18Å; D998-R1000 VanDerWaalsContact OD1-N 3.12Å; D998-I1001 HydrophobicContact CB-CB 4.12Å; D998-I1001 HydrophobicContact CB-CD1 3.97Å; D998-I1001 HydrophobicContact CB-CG1 4.11Å; D998-I1001 PolarHBondContact OD1-N 3.02Å; D998-I1001 VanDerWaalsContact OD1-N 3.16Å; D998-R1002 WeakPolarHBondContact O-CB 3.3Å; D998-R1002 PolarHBondContact O-N 3.03Å; D998-K1069 HydrophobicContact CB-CB 4.19Å; D998-K1069 HydrophobicContact CB-CD 4.45Å; D998-K1069 HydrophobicContact CB-CG 4.14Å |
| 999 | R | 90.2 | Very high | 89.6 | Confident | 99 Ų | 99 | 38.3 Ų | 38.3 | 37% | 0.374 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.4 | -42.5 | -175.5 | -65.8 | -178.5 | -164.2 | -64.5 | -14.2 | 112.2 | D582 N583 E585 S1003 | D582-R999 WeakPolarHBondContact O-CD 3.45Å; D582-R999 PolarHBondContact O-NE 2.92Å; N583-R999 WeakPolarHBondContact O-CG 3.22Å; N583-R999 PolarHBondContact O-N 3.16Å; E585-R999 IonicContact OE1-CZ 3.13Å; E585-R999 IonicContact OE1-NH1 3.96Å; E585-R999 PolarHBondContact OE1-NH1 3.32Å; E585-R999 IonicContact OE1-NH2 2.71Å; R999-S1003 VanDerWaalsContact O-CB 3.32Å; R999-S1003 WeakPolarHBondContact O-CB 3.35Å; R999-S1003 PolarHBondContact O-N 2.87Å; R999-S1003 PolarHBondContact O-OG 3.35Å |
| 1000 | R | 86.8 | Confident | 89.2 | Confident | 87 Ų | 87 | 41.5 Ų | 41.5 | 33% | 0.328 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.2 | -53.7 | 178.3 | -79.4 | 175.8 | -61.7 | -177.4 | -0.5 | 111.4 | E580 N583 D998 R1002 S1003 N1004 | E580-R1000 VanDerWaalsContact CD-NH2 3.32Å; E580-R1000 IonicContact OE1-CZ 2.73Å; E580-R1000 IonicContact OE1-NH1 3.5Å; E580-R1000 PolarHBondContact OE1-NH1 3.06Å; E580-R1000 IonicContact OE1-NH2 3.69Å; E580-R1000 PolarHBondContact OE1-NH2 3.48Å; E580-R1000 IonicContact OE2-CZ 2.63Å; E580-R1000 IonicContact OE2-NH2 3.48Å; E580-R1000 PolarHBondContact OE2-NH2 3.36Å; N583-R1000 PolarHBondContact ND2-NE 3.43Å; N583-R1000 PolarHBondContact ND2-NH2 3.09Å; N583-R1000 WeakPolarHBondContact OD1-CG 3.38Å; N583-R1000 PolarHBondContact OD1-N 3Å; N583-R1000 PolarHBondContact OD1-NE 3.04Å; D998-R1000 PolarHBondContact O-N 2.64Å; D998-R1000 PolarHBondContact OD1-N 3.18Å; D998-R1000 VanDerWaalsContact OD1-N 3.12Å; R1000-R1002 VanDerWaalsContact C-N 3.31Å; R1000-R1002 PolarHBondContact O-N 3.2Å; R1000-S1003 PolarHBondContact O-N 2.69Å; R1000-S1003 VanDerWaalsContact O-N 3.12Å; R1000-N1004 PolarHBondContact O-N 3.46Å |
| 1001 | I | 87.9 | Confident | 88.6 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 24% | 0.236 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | -177.9 | -57.9 | 175.1 | 0 | 0 | 0 | 110.3 | D998 S1003 N1004 L1005 V1062 A1066 K1069 | D998-I1001 HydrophobicContact CB-CB 4.12Å; D998-I1001 HydrophobicContact CB-CD1 3.97Å; D998-I1001 HydrophobicContact CB-CG1 4.11Å; D998-I1001 PolarHBondContact OD1-N 3.02Å; D998-I1001 VanDerWaalsContact OD1-N 3.16Å; I1001-S1003 PolarHBondContact O-N 2.99Å; I1001-N1004 PolarHBondContact O-N 3.24Å; I1001-L1005 WeakPolarHBondContact O-CB 3.5Å; I1001-L1005 PolarHBondContact O-N 3.24Å; I1001-V1062 HydrophobicContact CG2-CG1 4.03Å; I1001-A1066 HydrophobicContact CG2-CB 3.8Å; I1001-K1069 HydrophobicContact CD1-CG 4.15Å |
| 1002 | R | 91.5 | Very high | 88.4 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 16% | 0.155 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 174.1 | 176 | 168.7 | 72.1 | -152.8 | 13 | 112.7 | E585 A993 C996 D998 R1000 L1005 L1006 | E585-R1002 IonicContact OE1-CZ 2.72Å; E585-R1002 IonicContact OE1-NH1 3.43Å; E585-R1002 PolarHBondContact OE1-NH1 3.13Å; E585-R1002 IonicContact OE1-NH2 3.2Å; E585-R1002 PolarHBondContact OE1-NH2 2.9Å; E585-R1002 IonicContact OE2-CZ 3.67Å; E585-R1002 IonicContact OE2-NH1 2.7Å; E585-R1002 PolarHBondContact OE2-NH1 3.42Å; E585-R1002 IonicContact OE2-NH2 2.69Å; A993-R1002 HydrophobicContact CB-CG 4.17Å; A993-R1002 WeakPolarHBondContact O-CD 3.4Å; A993-R1002 WeakPolarHBondContact O-CG 3.43Å; C996-R1002 HydrophobicContact CB-CB 4.24Å; C996-R1002 PolarHBondContact O-NH1 3.12Å; D998-R1002 WeakPolarHBondContact O-CB 3.3Å; D998-R1002 PolarHBondContact O-N 3.03Å; R1000-R1002 VanDerWaalsContact C-N 3.31Å; R1000-R1002 PolarHBondContact O-N 3.2Å; R1002-L1005 PolarHBondContact O-N 3.44Å; R1002-L1006 HydrophobicContact CG-CD1 4.08Å; R1002-L1006 HydrophobicContact CG-CG 4.48Å; R1002-L1006 VanDerWaalsContact O-CG 3.32Å; R1002-L1006 WeakPolarHBondContact O-CG 3.34Å; R1002-L1006 PolarHBondContact O-N 2.98Å |
| 1003 | S | 86.6 | Confident | 88.1 | Confident | 70 Ų | 70 | 39.6 Ų | 39.6 | 49% | 0.49 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.5 | -39.4 | -176.3 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | R999 R1000 I1001 H1007 | R999-S1003 VanDerWaalsContact O-CB 3.32Å; R999-S1003 WeakPolarHBondContact O-CB 3.35Å; R999-S1003 PolarHBondContact O-N 2.87Å; R999-S1003 PolarHBondContact O-OG 3.35Å; R1000-S1003 PolarHBondContact O-N 2.69Å; R1000-S1003 VanDerWaalsContact O-N 3.12Å; I1001-S1003 PolarHBondContact O-N 2.99Å; S1003-H1007 PolarHBondContact O-N 2.77Å; S1003-H1007 VanDerWaalsContact O-N 3.11Å |
| 1004 | N | 82.6 | Confident | 87.8 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.6 | -53.3 | 171.5 | -165.7 | 6.4 | 0 | 0 | 0 | 110.8 | R1000 I1001 L1006 H1007 L1008 V1062 | R1000-N1004 PolarHBondContact O-N 3.46Å; I1001-N1004 PolarHBondContact O-N 3.24Å; N1004-L1006 PolarHBondContact O-N 3.3Å; N1004-L1006 VanDerWaalsContact O-N 3.15Å; N1004-H1007 PolarHBondContact O-N 3.03Å; N1004-L1008 WeakPolarHBondContact O-CG 3.09Å; N1004-L1008 PolarHBondContact O-N 3.1Å; N1004-L1008 WeakPolarHBondContact OD1-CG 3.36Å; N1004-V1062 HydrophobicContact CB-CG1 4.32Å |
| 1005 | L | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57 | -35.9 | -178.9 | -170.7 | 55.3 | 0 | 0 | 0 | 113.3 | A989 L992 A993 I1001 R1002 S1009 T1059 V1062 A1063 A1066 | A989-L1005 HydrophobicContact CB-CD1 4.03Å; A989-L1005 HydrophobicContact CB-CG 4.28Å; L992-L1005 HydrophobicContact CB-CD2 4.22Å; L992-L1005 HydrophobicContact CD2-CD2 4.08Å; L992-L1005 HydrophobicContact CG-CD2 3.92Å; A993-L1005 HydrophobicContact CB-CB 4.18Å; A993-L1005 HydrophobicContact CB-CD2 3.92Å; A993-L1005 HydrophobicContact CB-CG 4.06Å; I1001-L1005 WeakPolarHBondContact O-CB 3.5Å; I1001-L1005 PolarHBondContact O-N 3.24Å; R1002-L1005 PolarHBondContact O-N 3.44Å; L1005-S1009 WeakPolarHBondContact O-CB 3.43Å; L1005-S1009 PolarHBondContact O-N 3.4Å; L1005-T1059 HydrophobicContact CD1-CG2 3.94Å; L1005-V1062 HydrophobicContact CB-CG1 3.81Å; L1005-V1062 HydrophobicContact CD1-CB 4.29Å; L1005-V1062 HydrophobicContact CD1-CG1 4.18Å; L1005-A1063 HydrophobicContact CD1-CB 4.34Å; L1005-A1066 HydrophobicContact CD2-CB 3.81Å |
| 1006 | L | 89.1 | Confident | 87.4 | Confident | 64 Ų | 64 | 35.4 Ų | 35.4 | 34% | 0.335 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.3 | -50.9 | 173.3 | -71.2 | 173 | 0 | 0 | 0 | 111.9 | K990 A993 R1002 N1004 L1008 S1009 D1010 | K990-L1006 HydrophobicContact CG-CD2 3.91Å; A993-L1006 HydrophobicContact CB-CD2 3.73Å; A993-L1006 HydrophobicContact CB-CG 3.85Å; R1002-L1006 HydrophobicContact CG-CD1 4.08Å; R1002-L1006 HydrophobicContact CG-CG 4.48Å; R1002-L1006 VanDerWaalsContact O-CG 3.32Å; R1002-L1006 WeakPolarHBondContact O-CG 3.34Å; R1002-L1006 PolarHBondContact O-N 2.98Å; N1004-L1006 PolarHBondContact O-N 3.3Å; N1004-L1006 VanDerWaalsContact O-N 3.15Å; L1006-L1008 PolarHBondContact O-N 3.24Å; L1006-S1009 PolarHBondContact O-N 3.2Å; L1006-S1009 VanDerWaalsContact O-N 3.15Å; L1006-S1009 PolarHBondContact O-OG 2.9Å; L1006-D1010 PolarHBondContact O-N 3.12Å |
| 1007 | H | 82.6 | Confident | 87.2 | Confident | 64 Ų | 64 | 38.8 Ų | 38.8 | 30% | 0.296 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.2 | -48.2 | 178.3 | 172 | 48.7 | 0 | 0 | 0 | 111.8 | S1003 N1004 S1009 D1010 R1011 | S1003-H1007 PolarHBondContact O-N 2.77Å; S1003-H1007 VanDerWaalsContact O-N 3.11Å; N1004-H1007 PolarHBondContact O-N 3.03Å; H1007-S1009 VanDerWaalsContact C-N 3.33Å; H1007-S1009 PolarHBondContact O-N 2.95Å; H1007-D1010 PolarHBondContact O-N 3.02Å; H1007-R1011 PolarHBondContact O-N 3.02Å |
| 1008 | L | 83.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 176.7 | -60 | -175.8 | 0 | 0 | 0 | 112.4 | N1004 L1006 D1010 R1011 I1012 E1058 T1059 V1062 | N1004-L1008 WeakPolarHBondContact O-CG 3.09Å; N1004-L1008 PolarHBondContact O-N 3.1Å; N1004-L1008 WeakPolarHBondContact OD1-CG 3.36Å; L1006-L1008 PolarHBondContact O-N 3.24Å; L1008-D1010 VanDerWaalsContact C-N 3.35Å; L1008-D1010 PolarHBondContact O-N 3.4Å; L1008-R1011 VanDerWaalsContact CD2-NH2 3.34Å; L1008-R1011 PolarHBondContact O-N 3.49Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.35Å; L1008-I1012 PolarHBondContact O-N 2.98Å; L1008-E1058 HydrophobicContact CD1-CB 4.31Å; L1008-E1058 HydrophobicContact CD1-CG 3.67Å; L1008-E1058 VanDerWaalsContact CD2-CD 3.49Å; L1008-E1058 HydrophobicContact CD2-CG 4.46Å; L1008-E1058 WeakPolarHBondContact CD2-OE2 3.4Å; L1008-T1059 WeakPolarHBondContact CB-OG1 3.17Å; L1008-V1062 HydrophobicContact CD1-CB 4.16Å; L1008-V1062 HydrophobicContact CD1-CG2 3.68Å |
| 1009 | S | 89 | Confident | 86.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.4 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | N986 K990 L1005 L1006 H1007 I1012 L1013 | N986-S1009 PolarHBondContact ND2-O 3.46Å; K990-S1009 WeakPolarHBondContact CE-OG 3.34Å; L1005-S1009 WeakPolarHBondContact O-CB 3.43Å; L1005-S1009 PolarHBondContact O-N 3.4Å; L1006-S1009 PolarHBondContact O-N 3.2Å; L1006-S1009 VanDerWaalsContact O-N 3.15Å; L1006-S1009 PolarHBondContact O-OG 2.9Å; H1007-S1009 VanDerWaalsContact C-N 3.33Å; H1007-S1009 PolarHBondContact O-N 2.95Å; S1009-I1012 WeakPolarHBondContact O-CB 3.46Å; S1009-I1012 PolarHBondContact O-N 2.9Å; S1009-L1013 PolarHBondContact O-N 2.91Å; S1009-L1013 VanDerWaalsContact O-N 3.17Å |
| 1010 | D | 84.9 | Confident | 86.8 | Confident | 67 Ų | 67 | 38.6 Ų | 38.6 | 36% | 0.358 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -78.3 | -26.7 | -178.1 | -74.1 | -33 | 0 | 0 | 0 | 112.7 | N986 K990 L1006 H1007 L1008 L1013 T1014 | N986-D1010 PolarHBondContact ND2-OD1 2.83Å; N986-D1010 VanDerWaalsContact ND2-OD1 3.11Å; K990-D1010 WeakPolarHBondContact CE-OD1 3.18Å; K990-D1010 IonicContact NZ-OD1 3.4Å; K990-D1010 PolarHBondContact NZ-OD1 3.1Å; K990-D1010 IonicContact NZ-OD2 2.88Å; L1006-D1010 PolarHBondContact O-N 3.12Å; H1007-D1010 PolarHBondContact O-N 3.02Å; L1008-D1010 VanDerWaalsContact C-N 3.35Å; L1008-D1010 PolarHBondContact O-N 3.4Å; D1010-L1013 PolarHBondContact O-N 3.32Å; D1010-T1014 WeakPolarHBondContact O-CB 3.33Å; D1010-T1014 PolarHBondContact O-N 2.99Å; D1010-T1014 PolarHBondContact O-OG1 2.95Å |
| 1011 | R | 81.2 | Confident | 86.9 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 165.9 | -166.5 | 175.2 | 73.2 | -142.9 | -6.6 | 111.4 | D127 H1007 L1008 L1013 T1014 I1015 S1055 E1058 | D127-R1011 HydrophobicContact CB-CG 4.01Å; D127-R1011 WeakPolarHBondContact OD2-CD 3.44Å; D127-R1011 WeakPolarHBondContact OD2-CG 3.38Å; H1007-R1011 PolarHBondContact O-N 3.02Å; L1008-R1011 VanDerWaalsContact CD2-NH2 3.34Å; L1008-R1011 PolarHBondContact O-N 3.49Å; R1011-L1013 PolarHBondContact O-N 3.39Å; R1011-T1014 PolarHBondContact O-N 2.85Å; R1011-I1015 HydrophobicContact CG-CD1 3.81Å; R1011-I1015 HydrophobicContact CG-CG1 4.35Å; R1011-I1015 VanDerWaalsContact O-CG1 3.3Å; R1011-I1015 WeakPolarHBondContact O-CG1 3.3Å; R1011-I1015 PolarHBondContact O-N 3.25Å; R1011-S1055 PolarHBondContact NE-OG 3.35Å; R1011-S1055 VanDerWaalsContact NE-OG 3.12Å; R1011-S1055 PolarHBondContact NH2-OG 3.41Å; R1011-S1055 VanDerWaalsContact NH2-OG 3.09Å; R1011-E1058 IonicContact CZ-OE2 2.8Å; R1011-E1058 IonicContact NH1-OE2 3.87Å; R1011-E1058 IonicContact NH2-OE2 3.53Å; R1011-E1058 PolarHBondContact NH2-OE2 3.04Å |
| 1012 | I | 87.7 | Confident | 86.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56 | -47.9 | 174 | -73.8 | 167.7 | 0 | 0 | 0 | 111.5 | V985 L1008 S1009 T1014 I1015 G1016 L1052 V1056 T1059 | V985-I1012 HydrophobicContact CG1-CD1 3.87Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.35Å; L1008-I1012 PolarHBondContact O-N 2.98Å; S1009-I1012 WeakPolarHBondContact O-CB 3.46Å; S1009-I1012 PolarHBondContact O-N 2.9Å; I1012-T1014 VanDerWaalsContact C-N 3.28Å; I1012-T1014 PolarHBondContact O-N 3.08Å; I1012-I1015 PolarHBondContact O-N 3.5Å; I1012-G1016 PolarHBondContact O-N 3.11Å; I1012-L1052 HydrophobicContact CG2-CD1 4.1Å; I1012-V1056 HydrophobicContact CD1-CB 4.39Å; I1012-V1056 HydrophobicContact CD1-CG2 3.76Å; I1012-V1056 HydrophobicContact CG1-CG2 4.03Å; I1012-V1056 HydrophobicContact CG2-CG2 4.3Å; I1012-T1059 HydrophobicContact CD1-CG2 4.07Å; I1012-T1059 WeakPolarHBondContact CD1-OG1 3.37Å |
| 1013 | L | 87.7 | Confident | 86.7 | Confident | 47 Ų | 47 | 37.3 Ų | 37.3 | 25% | 0.246 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -34.4 | 179.8 | -176.6 | 62.7 | 0 | 0 | 0 | 112.1 | L983 S1009 D1010 R1011 N1017 | L983-L1013 HydrophobicContact CD1-CD1 4.33Å; S1009-L1013 PolarHBondContact O-N 2.91Å; S1009-L1013 VanDerWaalsContact O-N 3.17Å; D1010-L1013 PolarHBondContact O-N 3.32Å; R1011-L1013 PolarHBondContact O-N 3.39Å; L1013-N1017 PolarHBondContact O-N 3.46Å; L1013-N1017 PolarHBondContact O-ND2 3.31Å |
| 1014 | T | 84.5 | Confident | 86.8 | Confident | 65 Ų | 65 | 37.2 Ų | 37.2 | 40% | 0.399 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.2 | -49.1 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | D1010 R1011 I1012 G1016 N1017 Q1018 | D1010-T1014 WeakPolarHBondContact O-CB 3.33Å; D1010-T1014 PolarHBondContact O-N 2.99Å; D1010-T1014 PolarHBondContact O-OG1 2.95Å; R1011-T1014 PolarHBondContact O-N 2.85Å; I1012-T1014 VanDerWaalsContact C-N 3.28Å; I1012-T1014 PolarHBondContact O-N 3.08Å; T1014-G1016 PolarHBondContact O-N 2.75Å; T1014-N1017 PolarHBondContact O-N 2.74Å; T1014-Q1018 WeakPolarHBondContact O-CG 3.42Å; T1014-Q1018 PolarHBondContact O-N 3.22Å; T1014-Q1018 VanDerWaalsContact O-N 3.09Å |
| 1015 | I | 84.2 | Confident | 87 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 177.5 | -61.2 | 168.8 | 0 | 0 | 0 | 110.9 | R1011 I1012 N1017 Q1018 L1019 N1048 N1051 L1052 | R1011-I1015 HydrophobicContact CG-CD1 3.81Å; R1011-I1015 HydrophobicContact CG-CG1 4.35Å; R1011-I1015 VanDerWaalsContact O-CG1 3.3Å; R1011-I1015 WeakPolarHBondContact O-CG1 3.3Å; R1011-I1015 PolarHBondContact O-N 3.25Å; I1012-I1015 PolarHBondContact O-N 3.5Å; I1015-N1017 VanDerWaalsContact C-N 3.32Å; I1015-N1017 PolarHBondContact O-N 2.99Å; I1015-Q1018 WeakPolarHBondContact O-CB 3.45Å; I1015-Q1018 PolarHBondContact O-N 3.13Å; I1015-Q1018 VanDerWaalsContact O-N 3.16Å; I1015-L1019 PolarHBondContact O-N 3.35Å; I1015-N1048 WeakPolarHBondContact CG2-ND2 3.46Å; I1015-N1048 PolarHBondContact O-ND2 2.81Å; I1015-N1051 HydrophobicContact CD1-CB 4.19Å; I1015-L1052 HydrophobicContact CB-CD1 4.12Å; I1015-L1052 HydrophobicContact CG2-CB 3.67Å; I1015-L1052 HydrophobicContact CG2-CD1 4.02Å; I1015-L1052 HydrophobicContact CG2-CG 4.36Å |
| 1016 | G | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -33 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A979 I1012 T1014 K1020 | A979-G1016 WeakPolarHBondContact CB-O 3.32Å; I1012-G1016 PolarHBondContact O-N 3.11Å; T1014-G1016 PolarHBondContact O-N 2.75Å; G1016-K1020 PolarHBondContact O-N 2.92Å |
| 1017 | N | 87.5 | Confident | 86.6 | Confident | 72 Ų | 72 | 34.6 Ų | 34.6 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -73.2 | -36.3 | 171.6 | -80.5 | -60.1 | 0 | 0 | 0 | 112.6 | L1013 T1014 I1015 L1019 K1020 I1021 | L1013-N1017 PolarHBondContact O-N 3.46Å; L1013-N1017 PolarHBondContact O-ND2 3.31Å; T1014-N1017 PolarHBondContact O-N 2.74Å; I1015-N1017 VanDerWaalsContact C-N 3.32Å; I1015-N1017 PolarHBondContact O-N 2.99Å; N1017-L1019 VanDerWaalsContact C-N 3.34Å; N1017-K1020 PolarHBondContact O-N 2.8Å; N1017-K1020 PolarHBondContact OD1-NZ 2.98Å; N1017-I1021 PolarHBondContact O-N 3.11Å |
| 1018 | Q | 86.9 | Confident | 86.7 | Confident | 37 Ų | 37 | 36.4 Ų | 36.4 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 171.3 | -66.7 | 162.7 | 11.1 | 0 | 0 | 111.7 | T1014 I1015 K1020 I1021 L1022 N1048 | T1014-Q1018 WeakPolarHBondContact O-CG 3.42Å; T1014-Q1018 PolarHBondContact O-N 3.22Å; T1014-Q1018 VanDerWaalsContact O-N 3.09Å; I1015-Q1018 WeakPolarHBondContact O-CB 3.45Å; I1015-Q1018 PolarHBondContact O-N 3.13Å; I1015-Q1018 VanDerWaalsContact O-N 3.16Å; Q1018-K1020 VanDerWaalsContact C-N 3.31Å; Q1018-K1020 PolarHBondContact O-N 3.04Å; Q1018-I1021 WeakPolarHBondContact O-CB 3.49Å; Q1018-I1021 PolarHBondContact O-N 2.78Å; Q1018-L1022 WeakPolarHBondContact O-CG 3.26Å; Q1018-L1022 PolarHBondContact O-N 2.88Å; Q1018-N1048 VanDerWaalsContact CB-ND2 3.28Å; Q1018-N1048 WeakPolarHBondContact CB-ND2 3.24Å; Q1018-N1048 PolarHBondContact OE1-ND2 3.25Å; Q1018-N1048 VanDerWaalsContact OE1-ND2 3.15Å |
| 1019 | L | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.2 | -46.2 | 177.4 | -172.1 | 71.6 | 0 | 0 | 0 | 111.3 | M954 L957 I978 I1015 N1017 I1021 L1022 S1023 L1045 N1048 L1052 | M954-L1019 HydrophobicContact CE-CD2 4.4Å; L957-L1019 HydrophobicContact CD2-CD1 4.15Å; I978-L1019 HydrophobicContact CB-CD2 3.78Å; I978-L1019 HydrophobicContact CD1-CD2 4.1Å; I978-L1019 HydrophobicContact CG2-CD2 3.43Å; I978-L1019 VanDerWaalsContact CG2-CD2 3.43Å; I1015-L1019 PolarHBondContact O-N 3.35Å; N1017-L1019 VanDerWaalsContact C-N 3.34Å; L1019-I1021 VanDerWaalsContact C-N 3.31Å; L1019-I1021 PolarHBondContact O-N 3.06Å; L1019-L1022 PolarHBondContact O-N 3.02Å; L1019-S1023 VanDerWaalsContact O-CB 3.24Å; L1019-S1023 WeakPolarHBondContact O-CB 3.41Å; L1019-S1023 PolarHBondContact O-N 3.31Å; L1019-S1023 PolarHBondContact O-OG 3.47Å; L1019-S1023 VanDerWaalsContact O-OG 3.08Å; L1019-L1045 HydrophobicContact CD1-CD1 3.7Å; L1019-N1048 VanDerWaalsContact CA-OD1 3.27Å; L1019-N1048 WeakPolarHBondContact CA-OD1 3.41Å; L1019-N1048 VanDerWaalsContact CB-OD1 3.25Å; L1019-N1048 WeakPolarHBondContact CB-OD1 3.42Å; L1019-N1048 WeakPolarHBondContact CD1-OD1 3.28Å; L1019-N1048 PolarHBondContact N-OD1 2.75Å; L1019-L1052 HydrophobicContact CD2-CD2 3.98Å |
| 1020 | K | 89.6 | Confident | 85.5 | Confident | 79 Ų | 79 | 38.5 Ų | 38.5 | 34% | 0.343 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.5 | -42.1 | 175.2 | -73.3 | 162.7 | 54 | -174.9 | 0 | 112.2 | A979 G1016 N1017 Q1018 T1024 | A979-K1020 HydrophobicContact CB-CD 3.39Å; A979-K1020 HydrophobicContact CB-CG 3.72Å; G1016-K1020 PolarHBondContact O-N 2.92Å; N1017-K1020 PolarHBondContact O-N 2.8Å; N1017-K1020 PolarHBondContact OD1-NZ 2.98Å; Q1018-K1020 VanDerWaalsContact C-N 3.31Å; Q1018-K1020 PolarHBondContact O-N 3.04Å; K1020-T1024 WeakPolarHBondContact O-CB 3.35Å; K1020-T1024 PolarHBondContact O-N 3.47Å; K1020-T1024 PolarHBondContact O-OG1 3.5Å |
| 1021 | I | 88.9 | Confident | 84.5 | Confident | 113 Ų | 113 | 38.7 Ų | 38.7 | 58% | 0.579 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -67.8 | -52.4 | -179.8 | -62.3 | 167.7 | 0 | 0 | 0 | 109.8 | N1017 Q1018 L1019 S1023 T1024 V1025 | N1017-I1021 PolarHBondContact O-N 3.11Å; Q1018-I1021 WeakPolarHBondContact O-CB 3.49Å; Q1018-I1021 PolarHBondContact O-N 2.78Å; L1019-I1021 VanDerWaalsContact C-N 3.31Å; L1019-I1021 PolarHBondContact O-N 3.06Å; I1021-S1023 PolarHBondContact O-N 3.22Å; I1021-T1024 WeakPolarHBondContact O-CB 3.45Å; I1021-T1024 PolarHBondContact O-N 3.27Å; I1021-T1024 VanDerWaalsContact O-N 3.08Å; I1021-V1025 WeakPolarHBondContact O-CG2 3.4Å; I1021-V1025 PolarHBondContact O-N 3.42Å |
| 1022 | L | 86.5 | Confident | 83.7 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 18% | 0.183 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | -179.4 | -68.5 | 168.5 | 0 | 0 | 0 | 112.2 | Q1018 L1019 T1024 V1025 K1026 L1045 N1048 | Q1018-L1022 WeakPolarHBondContact O-CG 3.26Å; Q1018-L1022 PolarHBondContact O-N 2.88Å; L1019-L1022 PolarHBondContact O-N 3.02Å; L1022-T1024 VanDerWaalsContact C-N 3.3Å; L1022-T1024 PolarHBondContact O-N 3.45Å; L1022-V1025 PolarHBondContact O-N 2.94Å; L1022-K1026 WeakPolarHBondContact O-CB 3.19Å; L1022-K1026 PolarHBondContact O-N 2.84Å; L1022-L1045 HydrophobicContact CB-CD1 3.95Å; L1022-N1048 HydrophobicContact CD1-CB 3.48Å; L1022-N1048 VanDerWaalsContact CD1-CB 3.48Å |
| 1023 | S | 88 | Confident | 82.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.5 | -30.9 | 173.8 | -64.8 | 0 | 0 | 0 | 0 | 113 | S975 L1019 I1021 A1027 L1045 | S975-S1023 VanDerWaalsContact CB-OG 3.23Å; S975-S1023 WeakPolarHBondContact CB-OG 3.3Å; S975-S1023 WeakPolarHBondContact OG-CB 3.45Å; L1019-S1023 VanDerWaalsContact O-CB 3.24Å; L1019-S1023 WeakPolarHBondContact O-CB 3.41Å; L1019-S1023 PolarHBondContact O-N 3.31Å; L1019-S1023 PolarHBondContact O-OG 3.47Å; L1019-S1023 VanDerWaalsContact O-OG 3.08Å; I1021-S1023 PolarHBondContact O-N 3.22Å; S1023-A1027 WeakPolarHBondContact O-CB 3.31Å; S1023-A1027 PolarHBondContact O-N 3.2Å; S1023-L1045 WeakPolarHBondContact OG-CD1 3.32Å |
| 1024 | T | 89.1 | Confident | 81.4 | Confident | 67 Ų | 67 | 49.8 Ų | 49.8 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 172.4 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | K1020 I1021 L1022 A1027 T1028 | K1020-T1024 WeakPolarHBondContact O-CB 3.35Å; K1020-T1024 PolarHBondContact O-N 3.47Å; K1020-T1024 PolarHBondContact O-OG1 3.5Å; I1021-T1024 WeakPolarHBondContact O-CB 3.45Å; I1021-T1024 PolarHBondContact O-N 3.27Å; I1021-T1024 VanDerWaalsContact O-N 3.08Å; L1022-T1024 VanDerWaalsContact C-N 3.3Å; L1022-T1024 PolarHBondContact O-N 3.45Å; T1024-A1027 PolarHBondContact O-N 3.05Å; T1024-T1028 PolarHBondContact O-N 2.94Å |
| 1025 | V | 87.3 | Confident | 80.8 | Confident | 55 Ų | 55 | 48.9 Ų | 48.9 | 33% | 0.333 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -50.9 | 174.1 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | I1021 L1022 A1027 T1028 M1029 N1041 | I1021-V1025 WeakPolarHBondContact O-CG2 3.4Å; I1021-V1025 PolarHBondContact O-N 3.42Å; L1022-V1025 PolarHBondContact O-N 2.94Å; V1025-A1027 PolarHBondContact O-N 3.41Å; V1025-T1028 PolarHBondContact O-N 3.36Å; V1025-T1028 PolarHBondContact O-OG1 3.02Å; V1025-M1029 PolarHBondContact O-N 3.42Å; V1025-N1041 VanDerWaalsContact CG1-OD1 3.3Å; V1025-N1041 WeakPolarHBondContact CG1-OD1 3.46Å |
| 1026 | K | 83.6 | Confident | 80.3 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.7 | -31.8 | 175.9 | -176 | 63.3 | -179.7 | 179.3 | 0 | 112.5 | L971 L1022 M1029 L1030 D1038 T1042 L1045 | L971-K1026 HydrophobicContact CD2-CB 4.04Å; L971-K1026 HydrophobicContact CD2-CG 3.86Å; L1022-K1026 WeakPolarHBondContact O-CB 3.19Å; L1022-K1026 PolarHBondContact O-N 2.84Å; K1026-M1029 PolarHBondContact O-N 3.04Å; K1026-L1030 PolarHBondContact O-N 3.45Å; K1026-D1038 PolarHBondContact NZ-O 3.3Å; K1026-D1038 IonicContact NZ-OD1 2.75Å; K1026-D1038 PolarHBondContact NZ-OD1 3.34Å; K1026-D1038 IonicContact NZ-OD2 3.2Å; K1026-D1038 PolarHBondContact NZ-OD2 3.14Å; K1026-T1042 WeakPolarHBondContact CE-OG1 3.37Å; K1026-T1042 PolarHBondContact NZ-OG1 3.46Å; K1026-L1045 HydrophobicContact CB-CD2 4.2Å; K1026-L1045 HydrophobicContact CG-CD2 4.1Å |
| 1027 | A | 85.7 | Confident | 79.6 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.033 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.7 | -31.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | K968 L971 I972 S1023 T1024 V1025 M1029 | K968-A1027 HydrophobicContact CB-CB 4.43Å; K968-A1027 WeakPolarHBondContact CD-O 3.27Å; K968-A1027 VanDerWaalsContact CE-O 3.31Å; K968-A1027 WeakPolarHBondContact CE-O 3.32Å; K968-A1027 VanDerWaalsContact CG-O 3.32Å; K968-A1027 WeakPolarHBondContact CG-O 3.44Å; K968-A1027 PolarHBondContact NZ-O 3.15Å; L971-A1027 HydrophobicContact CD2-CB 4.22Å; I972-A1027 HydrophobicContact CD1-CB 3.71Å; I972-A1027 HydrophobicContact CG1-CB 3.69Å; S1023-A1027 WeakPolarHBondContact O-CB 3.31Å; S1023-A1027 PolarHBondContact O-N 3.2Å; T1024-A1027 PolarHBondContact O-N 3.05Å; V1025-A1027 PolarHBondContact O-N 3.41Å; A1027-M1029 VanDerWaalsContact C-N 3.32Å |
| 1028 | T | 84.7 | Confident | 79.2 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.3 | -38.6 | 172.6 | 70.8 | 0 | 0 | 0 | 0 | 110.8 | K968 T1024 V1025 | K968-T1028 PolarHBondContact NZ-O 3.43Å; T1024-T1028 PolarHBondContact O-N 2.94Å; V1025-T1028 PolarHBondContact O-N 3.36Å; V1025-T1028 PolarHBondContact O-OG1 3.02Å |
| 1029 | M | 77.1 | Confident | 78.6 | Confident | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -82.7 | -16.1 | -176.2 | -54.9 | -159.1 | 78.5 | 0 | 0 | 115.9 | V1025 K1026 A1027 G1031 T1032 E1037 D1038 N1041 | V1025-M1029 PolarHBondContact O-N 3.42Å; K1026-M1029 PolarHBondContact O-N 3.04Å; A1027-M1029 VanDerWaalsContact C-N 3.32Å; M1029-G1031 PolarHBondContact O-N 3.1Å; M1029-G1031 VanDerWaalsContact O-N 3.13Å; M1029-T1032 PolarHBondContact O-N 3.27Å; M1029-T1032 PolarHBondContact O-OG1 3.49Å; M1029-E1037 HydrophobicContact CE-CB 3.84Å; M1029-E1037 HydrophobicContact CE-CG 3.7Å; M1029-E1037 HydrophobicContact SD-CB 4.43Å; M1029-E1037 HydrophobicContact SD-CG 3.83Å; M1029-D1038 HydrophobicContact CB-CB 4.46Å; M1029-D1038 VanDerWaalsContact CB-OD1 3.27Å; M1029-D1038 WeakPolarHBondContact CB-OD1 3.5Å; M1029-D1038 HydrophobicContact CE-CB 3.98Å; M1029-D1038 HydrophobicContact SD-CB 4.26Å; M1029-N1041 PolarHBondContact SD-ND2 3.1Å |
| 1030 | L | 69.9 | Low | 77.8 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 121.6 | 176 | -108 | 165 | 0 | 0 | 0 | 111 | K968 L971 K1026 | K968-L1030 HydrophobicContact CD-CB 4.41Å; K968-L1030 WeakPolarHBondContact CE-O 3.44Å; K968-L1030 HydrophobicContact CG-CB 3.82Å; K968-L1030 HydrophobicContact CG-CD1 4.3Å; K968-L1030 PolarHBondContact NZ-O 2.98Å; L971-L1030 HydrophobicContact CB-CD1 4.31Å; L971-L1030 HydrophobicContact CD2-CD1 3.78Å; K1026-L1030 PolarHBondContact O-N 3.45Å |
| 1031 | G | 64.2 | Low | 77.4 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 72% | 0.722 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | -16 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | M1029 | M1029-G1031 PolarHBondContact O-N 3.1Å; M1029-G1031 VanDerWaalsContact O-N 3.13Å |
| 1032 | T | 64.8 | Low | 77 | Confident | 87 Ų | 87 | 56.8 Ų | 56.8 | 53% | 0.534 | 35% | 0.345 | S | S | . | . | trans | -104.5 | 48.2 | 165.4 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | M1029 S1035 | M1029-T1032 PolarHBondContact O-N 3.27Å; M1029-T1032 PolarHBondContact O-OG1 3.49Å; T1032-S1035 PolarHBondContact O-OG 3.37Å | ||
| 1033 | Q | 64.4 | Low | 76.5 | Confident | 126 Ų | 126 | 58.5 Ų | 58.5 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 140.8 | 179.4 | -73 | -175.4 | -24 | 0 | 0 | 111.3 | ||
| 1034 | G | 63 | Low | 76.1 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 84% | 0.835 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 6.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1035 | S | 71.3 | Confident | 75.9 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | trans | -77.6 | 149.6 | 161.2 | 63.3 | 0 | 0 | 0 | 0 | 110.5 | T1032 E1037 D1038 Q1039 | T1032-S1035 PolarHBondContact O-OG 3.37Å; S1035-E1037 VanDerWaalsContact C-N 3.29Å; S1035-E1037 PolarHBondContact O-N 2.86Å; S1035-D1038 PolarHBondContact O-N 2.97Å; S1035-D1038 VanDerWaalsContact O-N 3.11Å; S1035-D1038 VanDerWaalsContact OG-CB 3.23Å; S1035-D1038 WeakPolarHBondContact OG-CB 3.31Å; S1035-D1038 PolarHBondContact OG-N 2.8Å; S1035-Q1039 PolarHBondContact O-N 2.87Å; S1035-Q1039 VanDerWaalsContact O-N 3.1Å | ||
| 1036 | T | 73.8 | Confident | 75.7 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 67% | 0.669 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.5 | -38.6 | -179.6 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | D1038 Q1039 E1040 | T1036-D1038 VanDerWaalsContact C-N 3.33Å; T1036-D1038 PolarHBondContact O-N 3.31Å; T1036-Q1039 WeakPolarHBondContact O-CB 3.44Å; T1036-Q1039 PolarHBondContact O-N 3.2Å; T1036-Q1039 VanDerWaalsContact O-N 3.17Å; T1036-E1040 WeakPolarHBondContact O-CG 3.21Å; T1036-E1040 PolarHBondContact O-N 3.43Å |
| 1037 | E | 76 | Confident | 75.2 | Confident | 119 Ų | 119 | 57.3 Ų | 57.3 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.2 | -33 | 175.8 | -177.3 | -176 | -159.7 | 0 | 0 | 111.9 | M1029 S1035 Q1039 N1041 | M1029-E1037 HydrophobicContact CE-CB 3.84Å; M1029-E1037 HydrophobicContact CE-CG 3.7Å; M1029-E1037 HydrophobicContact SD-CB 4.43Å; M1029-E1037 HydrophobicContact SD-CG 3.83Å; S1035-E1037 VanDerWaalsContact C-N 3.29Å; S1035-E1037 PolarHBondContact O-N 2.86Å; E1037-Q1039 VanDerWaalsContact C-N 3.35Å; E1037-N1041 VanDerWaalsContact O-CB 3.31Å; E1037-N1041 WeakPolarHBondContact O-CB 3.44Å; E1037-N1041 PolarHBondContact O-N 2.71Å; E1037-N1041 VanDerWaalsContact O-N 3.08Å; E1037-N1041 PolarHBondContact O-ND2 3.28Å |
| 1038 | D | 77.4 | Confident | 75.1 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.7 | -30.7 | 172.8 | -171.3 | 61.8 | 0 | 0 | 0 | 112.1 | K1026 M1029 S1035 T1036 T1042 | K1026-D1038 PolarHBondContact NZ-O 3.3Å; K1026-D1038 IonicContact NZ-OD1 2.75Å; K1026-D1038 PolarHBondContact NZ-OD1 3.34Å; K1026-D1038 IonicContact NZ-OD2 3.2Å; K1026-D1038 PolarHBondContact NZ-OD2 3.14Å; M1029-D1038 HydrophobicContact CB-CB 4.46Å; M1029-D1038 VanDerWaalsContact CB-OD1 3.27Å; M1029-D1038 WeakPolarHBondContact CB-OD1 3.5Å; M1029-D1038 HydrophobicContact CE-CB 3.98Å; M1029-D1038 HydrophobicContact SD-CB 4.26Å; S1035-D1038 PolarHBondContact O-N 2.97Å; S1035-D1038 VanDerWaalsContact O-N 3.11Å; S1035-D1038 VanDerWaalsContact OG-CB 3.23Å; S1035-D1038 WeakPolarHBondContact OG-CB 3.31Å; S1035-D1038 PolarHBondContact OG-N 2.8Å; T1036-D1038 VanDerWaalsContact C-N 3.33Å; T1036-D1038 PolarHBondContact O-N 3.31Å; D1038-T1042 PolarHBondContact O-N 3.1Å; D1038-T1042 VanDerWaalsContact O-N 3.15Å; D1038-T1042 PolarHBondContact O-OG1 3.29Å |
| 1039 | Q | 75.4 | Confident | 75.3 | Confident | 87 Ų | 87 | 52.6 Ų | 52.6 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.8 | -52.9 | 173.9 | -176.3 | 63.6 | 24.2 | 0 | 0 | 111.4 | S1035 T1036 E1037 N1041 T1042 E1043 | S1035-Q1039 PolarHBondContact O-N 2.87Å; S1035-Q1039 VanDerWaalsContact O-N 3.1Å; T1036-Q1039 WeakPolarHBondContact O-CB 3.44Å; T1036-Q1039 PolarHBondContact O-N 3.2Å; T1036-Q1039 VanDerWaalsContact O-N 3.17Å; E1037-Q1039 VanDerWaalsContact C-N 3.35Å; Q1039-N1041 VanDerWaalsContact C-N 3.29Å; Q1039-N1041 PolarHBondContact O-N 3.38Å; Q1039-T1042 CarbonylContact O-C 3.44Å; Q1039-T1042 WeakPolarHBondContact O-CA 3.34Å; Q1039-T1042 VanDerWaalsContact O-CB 3.27Å; Q1039-T1042 WeakPolarHBondContact O-CB 3.32Å; Q1039-T1042 PolarHBondContact O-N 3.45Å; Q1039-E1043 WeakPolarHBondContact CG-OE1 3.4Å; Q1039-E1043 PolarHBondContact NE2-OE1 3.19Å; Q1039-E1043 PolarHBondContact O-N 3.36Å |
| 1040 | E | 74.2 | Confident | 75.4 | Confident | 93 Ų | 93 | 52.6 Ų | 52.6 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.9 | -38.4 | 178.7 | -70.2 | 174.8 | 164 | 0 | 0 | 112 | N250 T1036 T1042 E1043 S1044 | N250-E1040 PolarHBondContact ND2-OE1 2.58Å; N250-E1040 VanDerWaalsContact ND2-OE1 3.1Å; T1036-E1040 WeakPolarHBondContact O-CG 3.21Å; T1036-E1040 PolarHBondContact O-N 3.43Å; E1040-T1042 VanDerWaalsContact C-N 3.34Å; E1040-E1043 PolarHBondContact O-N 3.42Å; E1040-S1044 WeakPolarHBondContact O-CB 3.48Å; E1040-S1044 PolarHBondContact O-N 3.16Å; E1040-S1044 PolarHBondContact O-OG 3Å |
| 1041 | N | 79.7 | Confident | 75.8 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70 | -27.6 | 172.7 | -80.3 | -65.4 | 0 | 0 | 0 | 113.1 | V1025 M1029 E1037 Q1039 L1045 | V1025-N1041 VanDerWaalsContact CG1-OD1 3.3Å; V1025-N1041 WeakPolarHBondContact CG1-OD1 3.46Å; M1029-N1041 PolarHBondContact SD-ND2 3.1Å; E1037-N1041 VanDerWaalsContact O-CB 3.31Å; E1037-N1041 WeakPolarHBondContact O-CB 3.44Å; E1037-N1041 PolarHBondContact O-N 2.71Å; E1037-N1041 VanDerWaalsContact O-N 3.08Å; E1037-N1041 PolarHBondContact O-ND2 3.28Å; Q1039-N1041 VanDerWaalsContact C-N 3.29Å; Q1039-N1041 PolarHBondContact O-N 3.38Å; N1041-L1045 WeakPolarHBondContact O-CB 3.34Å; N1041-L1045 PolarHBondContact O-N 2.97Å; N1041-L1045 VanDerWaalsContact O-N 3.12Å |
| 1042 | T | 81.7 | Confident | 77 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 16% | 0.16 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.3 | -45.9 | 172.8 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | V961 K1026 D1038 Q1039 E1040 S1044 L1045 V1046 | V961-T1042 HydrophobicContact CG1-CG2 4.17Å; K1026-T1042 WeakPolarHBondContact CE-OG1 3.37Å; K1026-T1042 PolarHBondContact NZ-OG1 3.46Å; D1038-T1042 PolarHBondContact O-N 3.1Å; D1038-T1042 VanDerWaalsContact O-N 3.15Å; D1038-T1042 PolarHBondContact O-OG1 3.29Å; Q1039-T1042 CarbonylContact O-C 3.44Å; Q1039-T1042 WeakPolarHBondContact O-CA 3.34Å; Q1039-T1042 VanDerWaalsContact O-CB 3.27Å; Q1039-T1042 WeakPolarHBondContact O-CB 3.32Å; Q1039-T1042 PolarHBondContact O-N 3.45Å; E1040-T1042 VanDerWaalsContact C-N 3.34Å; T1042-S1044 VanDerWaalsContact C-N 3.35Å; T1042-S1044 PolarHBondContact O-N 3Å; T1042-L1045 PolarHBondContact O-N 3.03Å; T1042-L1045 VanDerWaalsContact O-N 3.15Å; T1042-V1046 HydrophobicContact CG2-CG2 4.34Å; T1042-V1046 WeakPolarHBondContact O-CB 3.28Å; T1042-V1046 VanDerWaalsContact O-CG2 3.23Å; T1042-V1046 WeakPolarHBondContact O-CG2 3.42Å; T1042-V1046 PolarHBondContact O-N 3.05Å |
| 1043 | E | 76 | Confident | 78.1 | Confident | 72 Ų | 72 | 44 Ų | 44 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 178 | -72.8 | 156.4 | 174.7 | 0 | 0 | 111.2 | Q1039 E1040 L1045 V1046 G1047 | Q1039-E1043 WeakPolarHBondContact CG-OE1 3.4Å; Q1039-E1043 PolarHBondContact NE2-OE1 3.19Å; Q1039-E1043 PolarHBondContact O-N 3.36Å; E1040-E1043 PolarHBondContact O-N 3.42Å; E1043-L1045 VanDerWaalsContact C-N 3.33Å; E1043-L1045 PolarHBondContact O-N 2.85Å; E1043-V1046 PolarHBondContact O-N 2.93Å; E1043-G1047 PolarHBondContact O-N 3.49Å |
| 1044 | S | 79.2 | Confident | 78.8 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 172 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | E1040 T1042 N1048 | E1040-S1044 WeakPolarHBondContact O-CB 3.48Å; E1040-S1044 PolarHBondContact O-N 3.16Å; E1040-S1044 PolarHBondContact O-OG 3Å; T1042-S1044 VanDerWaalsContact C-N 3.35Å; T1042-S1044 PolarHBondContact O-N 3Å; S1044-N1048 WeakPolarHBondContact O-CB 3.35Å; S1044-N1048 PolarHBondContact O-N 2.92Å; S1044-N1048 VanDerWaalsContact O-N 3.08Å |
| 1045 | L | 85.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.6 | -37.9 | 177.6 | -177.1 | 63.7 | 0 | 0 | 0 | 112.4 | V961 L1019 L1022 S1023 K1026 N1041 T1042 E1043 A1049 | V961-L1045 HydrophobicContact CG1-CD2 4.46Å; V961-L1045 HydrophobicContact CG2-CD2 3.61Å; L1019-L1045 HydrophobicContact CD1-CD1 3.7Å; L1022-L1045 HydrophobicContact CB-CD1 3.95Å; S1023-L1045 WeakPolarHBondContact OG-CD1 3.32Å; K1026-L1045 HydrophobicContact CB-CD2 4.2Å; K1026-L1045 HydrophobicContact CG-CD2 4.1Å; N1041-L1045 WeakPolarHBondContact O-CB 3.34Å; N1041-L1045 PolarHBondContact O-N 2.97Å; N1041-L1045 VanDerWaalsContact O-N 3.12Å; T1042-L1045 PolarHBondContact O-N 3.03Å; T1042-L1045 VanDerWaalsContact O-N 3.15Å; E1043-L1045 VanDerWaalsContact C-N 3.33Å; E1043-L1045 PolarHBondContact O-N 2.85Å; L1045-A1049 VanDerWaalsContact O-CB 3.26Å; L1045-A1049 WeakPolarHBondContact O-CB 3.47Å; L1045-A1049 PolarHBondContact O-N 3.45Å |
| 1046 | V | 82.1 | Confident | 80.7 | Confident | 22 Ų | 22 | 34.1 Ų | 34.1 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -52.6 | 174.6 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | P921 I922 T1042 E1043 N1048 A1049 Q1050 | P921-V1046 HydrophobicContact CB-CG1 3.69Å; P921-V1046 HydrophobicContact CG-CB 4.48Å; P921-V1046 HydrophobicContact CG-CG1 3.56Å; P921-V1046 HydrophobicContact CG-CG2 4Å; I922-V1046 HydrophobicContact CD1-CG2 3.95Å; I922-V1046 HydrophobicContact CG1-CB 4.41Å; I922-V1046 HydrophobicContact CG1-CG2 3.84Å; T1042-V1046 HydrophobicContact CG2-CG2 4.34Å; T1042-V1046 WeakPolarHBondContact O-CB 3.28Å; T1042-V1046 VanDerWaalsContact O-CG2 3.23Å; T1042-V1046 WeakPolarHBondContact O-CG2 3.42Å; T1042-V1046 PolarHBondContact O-N 3.05Å; E1043-V1046 PolarHBondContact O-N 2.93Å; V1046-N1048 PolarHBondContact O-N 3Å; V1046-A1049 PolarHBondContact O-N 3.44Å; V1046-Q1050 HydrophobicContact CG1-CG 4.48Å; V1046-Q1050 WeakPolarHBondContact O-CG 3.21Å; V1046-Q1050 PolarHBondContact O-N 3.47Å |
| 1047 | G | 73.2 | Confident | 81.3 | Confident | 22 Ų | 22 | 29.4 Ų | 29.4 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1043 A1049 Q1050 N1051 | E1043-G1047 PolarHBondContact O-N 3.49Å; G1047-A1049 PolarHBondContact O-N 3.01Å; G1047-Q1050 PolarHBondContact O-N 3.38Å; G1047-N1051 WeakPolarHBondContact O-CB 3.48Å; G1047-N1051 PolarHBondContact O-N 3.37Å; G1047-N1051 VanDerWaalsContact O-N 3.09Å; G1047-N1051 PolarHBondContact O-ND2 3.49Å |
| 1048 | N | 84.3 | Confident | 81.5 | Confident | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.032 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 175.4 | -179.6 | -90.3 | 0 | 0 | 0 | 112.4 | I1015 Q1018 L1019 L1022 S1044 V1046 N1051 L1052 | I1015-N1048 WeakPolarHBondContact CG2-ND2 3.46Å; I1015-N1048 PolarHBondContact O-ND2 2.81Å; Q1018-N1048 VanDerWaalsContact CB-ND2 3.28Å; Q1018-N1048 WeakPolarHBondContact CB-ND2 3.24Å; Q1018-N1048 PolarHBondContact OE1-ND2 3.25Å; Q1018-N1048 VanDerWaalsContact OE1-ND2 3.15Å; L1019-N1048 VanDerWaalsContact CA-OD1 3.27Å; L1019-N1048 WeakPolarHBondContact CA-OD1 3.41Å; L1019-N1048 VanDerWaalsContact CB-OD1 3.25Å; L1019-N1048 WeakPolarHBondContact CB-OD1 3.42Å; L1019-N1048 WeakPolarHBondContact CD1-OD1 3.28Å; L1019-N1048 PolarHBondContact N-OD1 2.75Å; L1022-N1048 HydrophobicContact CD1-CB 3.48Å; L1022-N1048 VanDerWaalsContact CD1-CB 3.48Å; S1044-N1048 WeakPolarHBondContact O-CB 3.35Å; S1044-N1048 PolarHBondContact O-N 2.92Å; S1044-N1048 VanDerWaalsContact O-N 3.08Å; V1046-N1048 PolarHBondContact O-N 3Å; N1048-N1051 PolarHBondContact O-N 3.1Å; N1048-L1052 PolarHBondContact O-N 3.29Å |
| 1049 | A | 87.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | I922 M954 L1045 V1046 G1047 L1052 M1053 | I922-A1049 HydrophobicContact CG1-CB 4.31Å; I922-A1049 HydrophobicContact CG2-CB 4.13Å; M954-A1049 HydrophobicContact CE-CB 3.7Å; M954-A1049 HydrophobicContact SD-CB 3.7Å; L1045-A1049 VanDerWaalsContact O-CB 3.26Å; L1045-A1049 WeakPolarHBondContact O-CB 3.47Å; L1045-A1049 PolarHBondContact O-N 3.45Å; V1046-A1049 PolarHBondContact O-N 3.44Å; G1047-A1049 PolarHBondContact O-N 3.01Å; A1049-L1052 PolarHBondContact O-N 2.96Å; A1049-M1053 WeakPolarHBondContact O-CG 3.4Å; A1049-M1053 PolarHBondContact O-N 3.12Å; A1049-M1053 VanDerWaalsContact O-N 3.1Å |
| 1050 | Q | 80.4 | Confident | 82.8 | Confident | 15 Ų | 15 | 21.6 Ų | 21.6 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -47.8 | 176.8 | -69.7 | -176.9 | -82.5 | 0 | 0 | 111.5 | N264 A925 V1046 G1047 L1052 M1053 Q1054 | N264-Q1050 PolarHBondContact OD1-NE2 3.28Å; A925-Q1050 HydrophobicContact CB-CG 4.1Å; V1046-Q1050 HydrophobicContact CG1-CG 4.48Å; V1046-Q1050 WeakPolarHBondContact O-CG 3.21Å; V1046-Q1050 PolarHBondContact O-N 3.47Å; G1047-Q1050 PolarHBondContact O-N 3.38Å; Q1050-L1052 PolarHBondContact O-N 3.14Å; Q1050-M1053 PolarHBondContact O-N 2.92Å; Q1050-Q1054 PolarHBondContact O-N 3.29Å |
| 1051 | N | 76.7 | Confident | 83.3 | Confident | 6 Ų | 6 | 20.2 Ų | 20.2 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.8 | -34.9 | 180 | -79.2 | -72.1 | 0 | 0 | 0 | 113.3 | S128 I1015 G1047 N1048 S1055 | S128-N1051 VanDerWaalsContact CA-CG 3.46Å; S128-N1051 WeakPolarHBondContact CA-ND2 3.49Å; S128-N1051 WeakPolarHBondContact CB-ND2 3.12Å; S128-N1051 PolarHBondContact O-ND2 2.95Å; S128-N1051 PolarHBondContact O-OD1 3.04Å; I1015-N1051 HydrophobicContact CD1-CB 4.19Å; G1047-N1051 WeakPolarHBondContact O-CB 3.48Å; G1047-N1051 PolarHBondContact O-N 3.37Å; G1047-N1051 VanDerWaalsContact O-N 3.09Å; G1047-N1051 PolarHBondContact O-ND2 3.49Å; N1048-N1051 PolarHBondContact O-N 3.1Å; N1051-S1055 WeakPolarHBondContact O-CB 3.48Å; N1051-S1055 PolarHBondContact O-N 2.8Å; N1051-S1055 PolarHBondContact O-OG 2.81Å |
| 1052 | L | 89.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -51.8 | 173.2 | -172.7 | 60.8 | 0 | 0 | 0 | 110.9 | M950 M954 I978 I1012 I1015 L1019 N1048 A1049 Q1050 Q1054 S1055 V1056 | M950-L1052 HydrophobicContact CE-CD1 4.21Å; M950-L1052 HydrophobicContact CE-CD2 3.92Å; M950-L1052 HydrophobicContact CE-CG 3.96Å; M954-L1052 HydrophobicContact CE-CD2 4.27Å; I978-L1052 HydrophobicContact CG2-CD2 3.54Å; I1012-L1052 HydrophobicContact CG2-CD1 4.1Å; I1015-L1052 HydrophobicContact CB-CD1 4.12Å; I1015-L1052 HydrophobicContact CG2-CB 3.67Å; I1015-L1052 HydrophobicContact CG2-CD1 4.02Å; I1015-L1052 HydrophobicContact CG2-CG 4.36Å; L1019-L1052 HydrophobicContact CD2-CD2 3.98Å; N1048-L1052 PolarHBondContact O-N 3.29Å; A1049-L1052 PolarHBondContact O-N 2.96Å; Q1050-L1052 PolarHBondContact O-N 3.14Å; L1052-Q1054 PolarHBondContact O-N 3.19Å; L1052-S1055 PolarHBondContact O-N 3.25Å; L1052-V1056 VanDerWaalsContact O-CG2 3.24Å; L1052-V1056 WeakPolarHBondContact O-CG2 3.4Å; L1052-V1056 PolarHBondContact O-N 3.32Å; L1052-V1056 VanDerWaalsContact O-N 3.08Å |
| 1053 | M | 89.8 | Confident | 84.1 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | -174.6 | -68.7 | -63.2 | 90.1 | 0 | 0 | 113 | A925 L929 M950 M954 A1049 Q1050 V1056 I1057 | A925-M1053 HydrophobicContact CB-CB 3.99Å; A925-M1053 HydrophobicContact CB-CG 3.86Å; L929-M1053 HydrophobicContact CB-CB 4.43Å; L929-M1053 HydrophobicContact CB-SD 4.22Å; L929-M1053 HydrophobicContact CD2-CE 4.03Å; L929-M1053 HydrophobicContact CD2-SD 3.54Å; L929-M1053 VanDerWaalsContact CD2-SD 3.54Å; M950-M1053 HydrophobicContact CB-CE 4.17Å; M950-M1053 HydrophobicContact CE-CE 3.97Å; M954-M1053 HydrophobicContact CB-CE 4.24Å; M954-M1053 HydrophobicContact CB-CG 4.4Å; M954-M1053 HydrophobicContact CB-SD 3.57Å; M954-M1053 VanDerWaalsContact CB-SD 3.57Å; M954-M1053 HydrophobicContact CE-CE 3.64Å; M954-M1053 HydrophobicContact CE-CG 4.07Å; M954-M1053 HydrophobicContact CE-SD 4.12Å; M954-M1053 HydrophobicContact CG-CE 4.4Å; M954-M1053 HydrophobicContact CG-CG 3.84Å; M954-M1053 HydrophobicContact CG-SD 3.69Å; A1049-M1053 WeakPolarHBondContact O-CG 3.4Å; A1049-M1053 PolarHBondContact O-N 3.12Å; A1049-M1053 VanDerWaalsContact O-N 3.1Å; Q1050-M1053 PolarHBondContact O-N 2.92Å; M1053-V1056 WeakPolarHBondContact O-CB 3.33Å; M1053-I1057 WeakPolarHBondContact O-CG1 3.47Å; M1053-I1057 PolarHBondContact O-N 2.98Å |
| 1054 | Q | 77.9 | Confident | 84.6 | Confident | 44 Ų | 44 | 17.6 Ų | 17.6 | 21% | 0.206 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -92.2 | -16.6 | -179.6 | -163.4 | 168.6 | -33.9 | 0 | 0 | 114.4 | F132 R282 Q1050 L1052 V1056 I1057 E1058 | F132-Q1054 HydrophobicContact CE1-CB 4.03Å; F132-Q1054 HydrophobicContact CE1-CG 3.68Å; F132-Q1054 HydrophobicContact CE2-CB 3.58Å; F132-Q1054 HydrophobicContact CE2-CG 4.07Å; F132-Q1054 HydrophobicContact CZ-CB 3.3Å; F132-Q1054 VanDerWaalsContact CZ-CD 3.4Å; F132-Q1054 HydrophobicContact CZ-CG 3.23Å; R282-Q1054 VanDerWaalsContact NH1-OE1 3.09Å; Q1050-Q1054 PolarHBondContact O-N 3.29Å; L1052-Q1054 PolarHBondContact O-N 3.19Å; Q1054-V1056 PolarHBondContact O-N 3.44Å; Q1054-I1057 HydrophobicContact CB-CB 4.45Å; Q1054-I1057 HydrophobicContact CB-CD1 4.07Å; Q1054-I1057 HydrophobicContact CG-CB 3.86Å; Q1054-I1057 HydrophobicContact CG-CD1 3.83Å; Q1054-I1057 HydrophobicContact CG-CG1 4.34Å; Q1054-I1057 HydrophobicContact CG-CG2 4.17Å; Q1054-I1057 PolarHBondContact O-N 3.3Å; Q1054-E1058 WeakPolarHBondContact O-CB 3.07Å; Q1054-E1058 PolarHBondContact O-N 2.74Å |
| 1055 | S | 82.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.2 | -35.2 | 159.2 | -67 | 0 | 0 | 0 | 0 | 111.5 | R1011 N1051 L1052 T1059 | R1011-S1055 PolarHBondContact NE-OG 3.35Å; R1011-S1055 VanDerWaalsContact NE-OG 3.12Å; R1011-S1055 PolarHBondContact NH2-OG 3.41Å; R1011-S1055 VanDerWaalsContact NH2-OG 3.09Å; N1051-S1055 WeakPolarHBondContact O-CB 3.48Å; N1051-S1055 PolarHBondContact O-N 2.8Å; N1051-S1055 PolarHBondContact O-OG 2.81Å; L1052-S1055 PolarHBondContact O-N 3.25Å; S1055-T1059 WeakPolarHBondContact O-CB 3.43Å; S1055-T1059 PolarHBondContact O-N 2.87Å; S1055-T1059 PolarHBondContact O-OG1 3.14Å |
| 1056 | V | 91.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.6 | -41.9 | 173.5 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | L929 T947 M950 I1012 L1052 M1053 Q1054 T1059 L1060 | L929-V1056 HydrophobicContact CD1-CB 4.28Å; L929-V1056 HydrophobicContact CD1-CG1 3.68Å; L929-V1056 HydrophobicContact CD2-CB 4.44Å; L929-V1056 HydrophobicContact CD2-CG1 4.01Å; T947-V1056 HydrophobicContact CG2-CG1 3.23Å; M950-V1056 HydrophobicContact CE-CG2 3.84Å; M950-V1056 HydrophobicContact SD-CG1 4.36Å; M950-V1056 HydrophobicContact SD-CG2 3.88Å; I1012-V1056 HydrophobicContact CD1-CB 4.39Å; I1012-V1056 HydrophobicContact CD1-CG2 3.76Å; I1012-V1056 HydrophobicContact CG1-CG2 4.03Å; I1012-V1056 HydrophobicContact CG2-CG2 4.3Å; L1052-V1056 VanDerWaalsContact O-CG2 3.24Å; L1052-V1056 WeakPolarHBondContact O-CG2 3.4Å; L1052-V1056 PolarHBondContact O-N 3.32Å; L1052-V1056 VanDerWaalsContact O-N 3.08Å; M1053-V1056 WeakPolarHBondContact O-CB 3.33Å; Q1054-V1056 PolarHBondContact O-N 3.44Å; V1056-T1059 WeakPolarHBondContact O-CB 3.35Å; V1056-T1059 PolarHBondContact O-N 2.73Å; V1056-L1060 WeakPolarHBondContact O-CG 3.5Å; V1056-L1060 PolarHBondContact O-N 3.35Å |
| 1057 | I | 85.5 | Confident | 85.4 | Confident | 10 Ų | 10 | 16.4 Ų | 16.4 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 172.9 | -68.7 | 168.6 | 0 | 0 | 0 | 111.4 | A928 L929 E932 M1053 Q1054 T1059 L1060 H1061 | A928-I1057 HydrophobicContact CB-CD1 4.22Å; L929-I1057 HydrophobicContact CB-CD1 4.34Å; L929-I1057 HydrophobicContact CB-CG1 4.32Å; L929-I1057 HydrophobicContact CD1-CG1 3.62Å; E932-I1057 HydrophobicContact CB-CG1 4.42Å; E932-I1057 HydrophobicContact CG-CG2 4.27Å; M1053-I1057 WeakPolarHBondContact O-CG1 3.47Å; M1053-I1057 PolarHBondContact O-N 2.98Å; Q1054-I1057 HydrophobicContact CB-CB 4.45Å; Q1054-I1057 HydrophobicContact CB-CD1 4.07Å; Q1054-I1057 HydrophobicContact CG-CB 3.86Å; Q1054-I1057 HydrophobicContact CG-CD1 3.83Å; Q1054-I1057 HydrophobicContact CG-CG1 4.34Å; Q1054-I1057 HydrophobicContact CG-CG2 4.17Å; Q1054-I1057 PolarHBondContact O-N 3.3Å; I1057-T1059 VanDerWaalsContact C-N 3.3Å; I1057-T1059 PolarHBondContact O-N 2.81Å; I1057-L1060 WeakPolarHBondContact O-CA 3.42Å; I1057-L1060 VanDerWaalsContact O-CB 3.31Å; I1057-L1060 WeakPolarHBondContact O-CB 3.2Å; I1057-L1060 PolarHBondContact O-N 3.03Å; I1057-H1061 VanDerWaalsContact CG2-CE1 3.46Å; I1057-H1061 WeakPolarHBondContact CG2-CE1 3.49Å; I1057-H1061 PolarHBondContact O-N 3.13Å; I1057-H1061 VanDerWaalsContact O-N 3.12Å |
| 1058 | E | 80.8 | Confident | 86 | Confident | 48 Ų | 48 | 21.2 Ų | 21.2 | 22% | 0.224 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 178 | -169.7 | -168.4 | -170.5 | 0 | 0 | 111 | L131 L1008 R1011 Q1054 L1060 H1061 V1062 | L131-E1058 WeakPolarHBondContact CD1-OE2 3.45Å; L131-E1058 WeakPolarHBondContact CD2-OE2 3.42Å; L1008-E1058 HydrophobicContact CD1-CB 4.31Å; L1008-E1058 HydrophobicContact CD1-CG 3.67Å; L1008-E1058 VanDerWaalsContact CD2-CD 3.49Å; L1008-E1058 HydrophobicContact CD2-CG 4.46Å; L1008-E1058 WeakPolarHBondContact CD2-OE2 3.4Å; R1011-E1058 IonicContact CZ-OE2 2.8Å; R1011-E1058 IonicContact NH1-OE2 3.87Å; R1011-E1058 IonicContact NH2-OE2 3.53Å; R1011-E1058 PolarHBondContact NH2-OE2 3.04Å; Q1054-E1058 WeakPolarHBondContact O-CB 3.07Å; Q1054-E1058 PolarHBondContact O-N 2.74Å; E1058-L1060 PolarHBondContact O-N 3.48Å; E1058-H1061 PolarHBondContact O-N 2.7Å; E1058-V1062 WeakPolarHBondContact O-CG2 3.16Å; E1058-V1062 PolarHBondContact O-N 2.86Å |
| 1059 | T | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.6 | -33.7 | 173.5 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | V985 A989 L1005 L1008 I1012 S1055 V1056 I1057 A1063 | V985-T1059 HydrophobicContact CG1-CG2 4.24Å; A989-T1059 HydrophobicContact CB-CG2 3.96Å; L1005-T1059 HydrophobicContact CD1-CG2 3.94Å; L1008-T1059 WeakPolarHBondContact CB-OG1 3.17Å; I1012-T1059 HydrophobicContact CD1-CG2 4.07Å; I1012-T1059 WeakPolarHBondContact CD1-OG1 3.37Å; S1055-T1059 WeakPolarHBondContact O-CB 3.43Å; S1055-T1059 PolarHBondContact O-N 2.87Å; S1055-T1059 PolarHBondContact O-OG1 3.14Å; V1056-T1059 WeakPolarHBondContact O-CB 3.35Å; V1056-T1059 PolarHBondContact O-N 2.73Å; I1057-T1059 VanDerWaalsContact C-N 3.3Å; I1057-T1059 PolarHBondContact O-N 2.81Å; T1059-A1063 WeakPolarHBondContact O-CB 3.11Å; T1059-A1063 PolarHBondContact O-N 3.22Å |
| 1060 | L | 90.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.8 | -41.7 | 172.6 | -68.4 | 171.2 | 0 | 0 | 0 | 112.1 | L929 T933 L943 I944 T947 V1056 I1057 E1058 A1063 E1064 W1080 | L929-L1060 HydrophobicContact CD1-CD1 4.21Å; T933-L1060 HydrophobicContact CG2-CD1 3.54Å; L943-L1060 HydrophobicContact CD1-CD2 4.28Å; L943-L1060 HydrophobicContact CD2-CD2 3.9Å; L943-L1060 HydrophobicContact CG-CD2 3.69Å; I944-L1060 HydrophobicContact CD1-CD1 4.45Å; I944-L1060 HydrophobicContact CD1-CD2 3.72Å; T947-L1060 HydrophobicContact CG2-CD1 4.2Å; T947-L1060 HydrophobicContact CG2-CD2 3.94Å; T947-L1060 HydrophobicContact CG2-CG 4.21Å; V1056-L1060 WeakPolarHBondContact O-CG 3.5Å; V1056-L1060 PolarHBondContact O-N 3.35Å; I1057-L1060 WeakPolarHBondContact O-CA 3.42Å; I1057-L1060 VanDerWaalsContact O-CB 3.31Å; I1057-L1060 WeakPolarHBondContact O-CB 3.2Å; I1057-L1060 PolarHBondContact O-N 3.03Å; E1058-L1060 PolarHBondContact O-N 3.48Å; L1060-A1063 PolarHBondContact O-N 2.66Å; L1060-E1064 WeakPolarHBondContact O-CB 3.47Å; L1060-E1064 PolarHBondContact O-N 2.99Å; L1060-W1080 HydrophobicContact CB-CH2 4.47Å; L1060-W1080 HydrophobicContact CD2-CH2 4.14Å; L1060-W1080 WeakPolarHBondContact O-CH2 3.45Å |
| 1061 | H | 85 | Confident | 86 | Confident | 65 Ų | 65 | 28.8 Ų | 28.8 | 30% | 0.301 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -68 | -43.9 | 179 | -58.9 | 161.7 | 0 | 0 | 0 | 111.9 | E932 I1057 E1058 A1063 E1064 G1065 R1104 | E932-H1061 IonicContact OE1-CD2 2.75Å; E932-H1061 IonicContact OE1-CE1 3.37Å; E932-H1061 IonicContact OE1-NE2 3.65Å; E932-H1061 PolarHBondContact OE1-NE2 2.91Å; E932-H1061 IonicContact OE2-NE2 2.86Å; I1057-H1061 VanDerWaalsContact CG2-CE1 3.46Å; I1057-H1061 WeakPolarHBondContact CG2-CE1 3.49Å; I1057-H1061 PolarHBondContact O-N 3.13Å; I1057-H1061 VanDerWaalsContact O-N 3.12Å; E1058-H1061 PolarHBondContact O-N 2.7Å; H1061-A1063 VanDerWaalsContact C-N 3.31Å; H1061-A1063 PolarHBondContact O-N 2.91Å; H1061-E1064 WeakPolarHBondContact O-CB 3.33Å; H1061-E1064 PolarHBondContact O-N 3.01Å; H1061-G1065 PolarHBondContact O-N 3.29Å; H1061-G1065 VanDerWaalsContact O-N 3.12Å; H1061-R1104 PolarHBondContact NE2-NH2 3.05Å |
| 1062 | V | 85.1 | Confident | 85.7 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 15% | 0.152 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69 | -31.9 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 111 | I1001 N1004 L1005 L1008 E1058 A1066 | I1001-V1062 HydrophobicContact CG2-CG1 4.03Å; N1004-V1062 HydrophobicContact CB-CG1 4.32Å; L1005-V1062 HydrophobicContact CB-CG1 3.81Å; L1005-V1062 HydrophobicContact CD1-CB 4.29Å; L1005-V1062 HydrophobicContact CD1-CG1 4.18Å; L1008-V1062 HydrophobicContact CD1-CB 4.16Å; L1008-V1062 HydrophobicContact CD1-CG2 3.68Å; E1058-V1062 WeakPolarHBondContact O-CG2 3.16Å; E1058-V1062 PolarHBondContact O-N 2.86Å; V1062-A1066 WeakPolarHBondContact O-CB 3.45Å; V1062-A1066 PolarHBondContact O-N 3.43Å |
| 1063 | A | 91.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.4 | -38.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L943 L992 L1005 T1059 L1060 H1061 A1066 S1067 W1080 | L943-A1063 HydrophobicContact CD2-CB 3.59Å; L992-A1063 HydrophobicContact CD2-CB 3.51Å; L992-A1063 WeakPolarHBondContact CD2-O 3.33Å; L1005-A1063 HydrophobicContact CD1-CB 4.34Å; T1059-A1063 WeakPolarHBondContact O-CB 3.11Å; T1059-A1063 PolarHBondContact O-N 3.22Å; L1060-A1063 PolarHBondContact O-N 2.66Å; H1061-A1063 VanDerWaalsContact C-N 3.31Å; H1061-A1063 PolarHBondContact O-N 2.91Å; A1063-A1066 PolarHBondContact O-N 3.36Å; A1063-S1067 WeakPolarHBondContact O-CB 3.42Å; A1063-S1067 PolarHBondContact O-N 3.47Å; A1063-W1080 HydrophobicContact CB-CH2 4.3Å; A1063-W1080 HydrophobicContact CB-CZ2 3.88Å |
| 1064 | E | 88 | Confident | 83.8 | Confident | 45 Ų | 45 | 40.8 Ų | 40.8 | 21% | 0.21 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.9 | -53.5 | 172.9 | -172.7 | -179.1 | -174.4 | 0 | 0 | 109.5 | W936 L1060 H1061 A1066 S1067 W1080 R1104 | W936-E1064 VanDerWaalsContact CH2-OE1 3.23Å; W936-E1064 WeakPolarHBondContact CH2-OE1 3.43Å; W936-E1064 WeakPolarHBondContact CZ2-OE1 3.47Å; L1060-E1064 WeakPolarHBondContact O-CB 3.47Å; L1060-E1064 PolarHBondContact O-N 2.99Å; H1061-E1064 WeakPolarHBondContact O-CB 3.33Å; H1061-E1064 PolarHBondContact O-N 3.01Å; E1064-A1066 PolarHBondContact O-N 2.72Å; E1064-S1067 PolarHBondContact O-N 2.84Å; E1064-S1067 PolarHBondContact O-OG 3.29Å; E1064-W1080 HydrophobicContact CB-CD2 4.37Å; E1064-W1080 HydrophobicContact CB-CE3 4.4Å; E1064-W1080 HydrophobicContact CB-CH2 4.24Å; E1064-W1080 HydrophobicContact CB-CZ2 4.2Å; E1064-W1080 HydrophobicContact CB-CZ3 4.33Å; E1064-W1080 HydrophobicContact CG-CD2 4.31Å; E1064-W1080 HydrophobicContact CG-CE3 4.4Å; E1064-R1104 IonicContact OE2-CZ 3.3Å; E1064-R1104 IonicContact OE2-NH1 2.67Å; E1064-R1104 PolarHBondContact OE2-NH1 3.26Å |
| 1065 | G | 85.5 | Confident | 83.4 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1061 S1067 I1068 | H1061-G1065 PolarHBondContact O-N 3.29Å; H1061-G1065 VanDerWaalsContact O-N 3.12Å; G1065-S1067 VanDerWaalsContact C-N 3.28Å; G1065-S1067 PolarHBondContact O-N 2.86Å; G1065-I1068 WeakPolarHBondContact O-CB 3.42Å; G1065-I1068 PolarHBondContact O-N 3.49Å |
| 1066 | A | 88.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -33.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L992 C996 I1001 L1005 V1062 A1063 E1064 I1068 K1069 M1070 | L992-A1066 HydrophobicContact CD1-CB 4.28Å; L992-A1066 HydrophobicContact CD2-CB 4.19Å; L992-A1066 HydrophobicContact CG-CB 3.98Å; C996-A1066 HydrophobicContact CB-CB 4.36Å; I1001-A1066 HydrophobicContact CG2-CB 3.8Å; L1005-A1066 HydrophobicContact CD2-CB 3.81Å; V1062-A1066 WeakPolarHBondContact O-CB 3.45Å; V1062-A1066 PolarHBondContact O-N 3.43Å; A1063-A1066 PolarHBondContact O-N 3.36Å; E1064-A1066 PolarHBondContact O-N 2.72Å; A1066-I1068 VanDerWaalsContact C-N 3.26Å; A1066-I1068 PolarHBondContact O-N 2.97Å; A1066-K1069 CarbonylContact O-C 3.57Å; A1066-K1069 PolarHBondContact O-N 2.8Å; A1066-M1070 PolarHBondContact O-N 2.86Å |
| 1067 | S | 89 | Confident | 81.8 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -30.8 | 179.1 | 78.2 | 0 | 0 | 0 | 0 | 113.2 | A1063 E1064 G1065 K1069 W1080 | A1063-S1067 WeakPolarHBondContact O-CB 3.42Å; A1063-S1067 PolarHBondContact O-N 3.47Å; E1064-S1067 PolarHBondContact O-N 2.84Å; E1064-S1067 PolarHBondContact O-OG 3.29Å; G1065-S1067 VanDerWaalsContact C-N 3.28Å; G1065-S1067 PolarHBondContact O-N 2.86Å; S1067-K1069 PolarHBondContact O-N 3.39Å; S1067-W1080 PolarHBondContact OG-NE1 3.09Å |
| 1068 | I | 85.4 | Confident | 81.4 | Confident | 123 Ų | 123 | 57.8 Ų | 57.8 | 63% | 0.631 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.4 | -23.9 | 175 | -55.3 | 171.2 | 0 | 0 | 0 | 111.2 | G1065 A1066 | G1065-I1068 WeakPolarHBondContact O-CB 3.42Å; G1065-I1068 PolarHBondContact O-N 3.49Å; A1066-I1068 VanDerWaalsContact C-N 3.26Å; A1066-I1068 PolarHBondContact O-N 2.97Å |
| 1069 | K | 86 | Confident | 81.4 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 22.5 | -177.5 | -63.4 | -73.3 | -169.3 | 162.6 | 0 | 113.1 | C996 T997 D998 I1001 A1066 S1067 | C996-K1069 WeakPolarHBondContact CA-O 3.47Å; T997-K1069 PolarHBondContact N-O 3.4Å; T997-K1069 PolarHBondContact OG1-O 3.24Å; D998-K1069 HydrophobicContact CB-CB 4.19Å; D998-K1069 HydrophobicContact CB-CD 4.45Å; D998-K1069 HydrophobicContact CB-CG 4.14Å; I1001-K1069 HydrophobicContact CD1-CG 4.15Å; A1066-K1069 CarbonylContact O-C 3.57Å; A1066-K1069 PolarHBondContact O-N 2.8Å; S1067-K1069 PolarHBondContact O-N 3.39Å |
| 1070 | M | 84.6 | Confident | 81.2 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 146.1 | 177 | -74.1 | 178.8 | 70.1 | 0 | 0 | 113 | L992 E995 A1066 V1072 Y1076 F1078 | L992-M1070 HydrophobicContact CD1-CE 4.38Å; L992-M1070 HydrophobicContact CD1-CG 3.71Å; L992-M1070 HydrophobicContact CD1-SD 3.52Å; L992-M1070 VanDerWaalsContact CD1-SD 3.52Å; E995-M1070 HydrophobicContact CB-CE 4.31Å; E995-M1070 CarbonylContact O-C 3.52Å; E995-M1070 WeakPolarHBondContact O-CA 3.35Å; A1066-M1070 PolarHBondContact O-N 2.86Å; M1070-V1072 PolarHBondContact O-N 3.47Å; M1070-Y1076 WeakPolarHBondContact CE-O 3.39Å; M1070-F1078 HydrophobicContact CE-CD2 4.36Å; M1070-F1078 HydrophobicContact SD-CD2 4.15Å |
| 1071 | R | 82.2 | Confident | 80.8 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | trans | -58.7 | 125.8 | 169.4 | -71.3 | -172.5 | -161.3 | 97 | 11.4 | 110.5 | E585 K994 E995 T997 H1073 S1074 | E585-R1071 IonicContact OE2-CZ 3.55Å; E585-R1071 IonicContact OE2-NH2 2.78Å; E585-R1071 PolarHBondContact OE2-NH2 2.97Å; K994-R1071 PolarHBondContact O-NH1 3.4Å; K994-R1071 PolarHBondContact O-NH2 3.48Å; E995-R1071 PolarHBondContact O-N 3.31Å; E995-R1071 IonicContact OE2-NH1 2.7Å; E995-R1071 PolarHBondContact OE2-NH1 3.15Å; T997-R1071 HydrophobicContact CG2-CB 4.42Å; T997-R1071 HydrophobicContact CG2-CG 3.45Å; T997-R1071 VanDerWaalsContact CG2-CG 3.45Å; R1071-H1073 PolarHBondContact O-N 2.99Å; R1071-H1073 VanDerWaalsContact O-N 3.08Å; R1071-S1074 VanDerWaalsContact O-CB 3.27Å; R1071-S1074 WeakPolarHBondContact O-CB 3.28Å; R1071-S1074 PolarHBondContact O-N 2.79Å; R1071-S1074 PolarHBondContact O-OG 2.9Å | ||
| 1072 | V | 70.7 | Confident | 80.6 | Confident | 82 Ų | 82 | 64 Ų | 64 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.9 | -178.1 | -165.5 | 0 | 0 | 0 | 0 | 112.9 | Y656 M1070 | Y656-V1072 HydrophobicContact CE1-CG1 4.4Å; M1070-V1072 PolarHBondContact O-N 3.47Å |
| 1073 | H | 69.7 | Low | 79.8 | Confident | 149 Ų | 149 | 67 Ų | 67 | 69% | 0.69 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.3 | -179.5 | -59.6 | -63.5 | 0 | 0 | 0 | 115.2 | Y660 R1071 G1075 | Y660-H1073 AromaticContact CE1-CE1 3.95Å; Y660-H1073 AromaticContact CZ-CE1 3.94Å; Y660-H1073 PolarHBondContact OH-CE1 2.91Å; R1071-H1073 PolarHBondContact O-N 2.99Å; R1071-H1073 VanDerWaalsContact O-N 3.08Å; H1073-G1075 PolarHBondContact O-N 3.45Å |
| 1074 | S | 68.6 | Low | 78 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -62.9 | -24.7 | -174.3 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | R1071 Y1076 | R1071-S1074 VanDerWaalsContact O-CB 3.27Å; R1071-S1074 WeakPolarHBondContact O-CB 3.28Å; R1071-S1074 PolarHBondContact O-N 2.79Å; R1071-S1074 PolarHBondContact O-OG 2.9Å; S1074-Y1076 VanDerWaalsContact O-CD2 3.24Å; S1074-Y1076 WeakPolarHBondContact O-CD2 3.32Å; S1074-Y1076 PolarHBondContact O-N 3.38Å |
| 1075 | G | 71 | Confident | 76 | Confident | 72 Ų | 72 | 77.6 Ų | 77.6 | 74% | 0.742 | 40% | 0.397 | S | S | * | . | trans | 74.8 | -28.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1073 | H1073-G1075 PolarHBondContact O-N 3.45Š| ||
| 1076 | Y | 70.4 | Confident | 73.6 | Confident | 132 Ų | 132 | 80.9 Ų | 80.9 | 52% | 0.518 | 42% | 0.416 | S | S | . | . | trans | -65.2 | 145.2 | 170.1 | -67.2 | -81.8 | 0 | 0 | 0 | 111.7 | V991 E995 M1070 S1074 | V991-Y1076 HydrophobicContact CG1-CD1 4.13Å; V991-Y1076 HydrophobicContact CG1-CE1 4.11Å; V991-Y1076 HydrophobicContact CG1-CG 4.4Å; E995-Y1076 HydrophobicContact CG-CD2 4.39Å; M1070-Y1076 WeakPolarHBondContact CE-O 3.39Å; S1074-Y1076 VanDerWaalsContact O-CD2 3.24Å; S1074-Y1076 WeakPolarHBondContact O-CD2 3.32Å; S1074-Y1076 PolarHBondContact O-N 3.38Å | ||
| 1077 | K | 69.1 | Low | 70.8 | Confident | 172 Ų | 172 | 88 Ų | 88 | 75% | 0.748 | 45% | 0.454 | S | S | * | . | trans | -140 | 121.1 | 172.8 | -67.9 | -174.9 | 177.6 | -177.7 | 0 | 109.5 | I1079 | K1077-I1079 HydrophobicContact CB-CG1 4.46Š| ||
| 1078 | F | 77.3 | Confident | 68.1 | Low | 36 Ų | 36 | 90.9 Ų | 90.9 | 16% | 0.158 | 47% | 0.466 | C | S | . | . | trans | -92.3 | 115.4 | 164.3 | -75.4 | -95.8 | 0 | 0 | 0 | 107.9 | L943 L992 M1070 | L943-F1078 HydrophobicContact CB-CE1 4.18Å; L992-F1078 HydrophobicContact CB-CD2 4.34Å; L992-F1078 HydrophobicContact CB-CE2 3.74Å; L992-F1078 HydrophobicContact CB-CZ 3.98Å; L992-F1078 HydrophobicContact CD1-CD2 3.84Å; L992-F1078 HydrophobicContact CD1-CE2 4.06Å; L992-F1078 HydrophobicContact CD2-CD2 4.38Å; L992-F1078 HydrophobicContact CD2-CE2 4.46Å; L992-F1078 HydrophobicContact CD2-CG 4.48Å; L992-F1078 HydrophobicContact CG-CD2 4.42Å; L992-F1078 HydrophobicContact CG-CE2 4.31Å; M1070-F1078 HydrophobicContact CE-CD2 4.36Å; M1070-F1078 HydrophobicContact SD-CD2 4.15Å | ||
| 1079 | I | 82.2 | Confident | 65.3 | Low | 56 Ų | 56 | 92.8 Ų | 92.8 | 29% | 0.287 | 48% | 0.478 | S | S | . | . | trans | -93.9 | 106.2 | -176.6 | -56 | -171 | 0 | 0 | 0 | 109.5 | D940 N941 K1077 N1081 | D940-I1079 HydrophobicContact CB-CD1 3.92Å; D940-I1079 HydrophobicContact CB-CG1 4.38Å; N941-I1079 PolarHBondContact ND2-O 2.94Å; K1077-I1079 HydrophobicContact CB-CG1 4.46Å; I1079-N1081 HydrophobicContact CG2-CB 4.32Å; I1079-N1081 VanDerWaalsContact CG2-ND2 3.29Å; I1079-N1081 WeakPolarHBondContact CG2-ND2 3.25Å; I1079-N1081 PolarHBondContact O-N 3.07Å | ||
| 1080 | W | 85.2 | Confident | 62.4 | Low | 35 Ų | 35 | 100.2 Ų | 100.2 | 13% | 0.133 | 51% | 0.506 | C | S | . | . | trans | -89.6 | 76.4 | 176.2 | -66.2 | 96.5 | 0 | 0 | 0 | 110.2 | W936 L943 I944 L1060 A1063 E1064 S1067 P1082 | W936-W1080 AromaticContact CD2-CE3 3.71Å; W936-W1080 HydrophobicContact CD2-CE3 3.71Å; W936-W1080 HydrophobicContact CD2-CZ3 4.21Å; W936-W1080 AromaticContact CE2-CE3 3.8Å; W936-W1080 HydrophobicContact CE3-CB 4.14Å; W936-W1080 AromaticContact CE3-CE3 3.92Å; W936-W1080 HydrophobicContact CE3-CE3 3.92Å; W936-W1080 HydrophobicContact CG-CE3 4.16Å; W936-W1080 HydrophobicContact CG-CZ3 4.31Å; W936-W1080 HydrophobicContact CH2-CB 4.41Å; W936-W1080 HydrophobicContact CH2-CE3 4.25Å; W936-W1080 HydrophobicContact CZ2-CE3 4.08Å; W936-W1080 HydrophobicContact CZ3-CB 3.79Å; W936-W1080 HydrophobicContact CZ3-CE3 4.18Å; L943-W1080 HydrophobicContact CD2-CH2 4.41Å; L943-W1080 HydrophobicContact CD2-CZ2 4.36Å; I944-W1080 HydrophobicContact CD1-CH2 4.35Å; I944-W1080 HydrophobicContact CD1-CZ3 3.88Å; I944-W1080 HydrophobicContact CG1-CZ3 4.31Å; L1060-W1080 HydrophobicContact CB-CH2 4.47Å; L1060-W1080 HydrophobicContact CD2-CH2 4.14Å; L1060-W1080 WeakPolarHBondContact O-CH2 3.45Å; A1063-W1080 HydrophobicContact CB-CH2 4.3Å; A1063-W1080 HydrophobicContact CB-CZ2 3.88Å; E1064-W1080 HydrophobicContact CB-CD2 4.37Å; E1064-W1080 HydrophobicContact CB-CE3 4.4Å; E1064-W1080 HydrophobicContact CB-CH2 4.24Å; E1064-W1080 HydrophobicContact CB-CZ2 4.2Å; E1064-W1080 HydrophobicContact CB-CZ3 4.33Å; E1064-W1080 HydrophobicContact CG-CD2 4.31Å; E1064-W1080 HydrophobicContact CG-CE3 4.4Å; S1067-W1080 PolarHBondContact OG-NE1 3.09Å; W1080-P1082 WeakPolarHBondContact O-CD 3.45Å | ||
| 1081 | N | 81.6 | Confident | 59.7 | Low | 83 Ų | 83 | 105.1 Ų | 105.1 | 44% | 0.444 | 53% | 0.533 | S | S | . | . | trans | -92.9 | 113.3 | 178.2 | -89.8 | -26.4 | 0 | 0 | 0 | 111.1 | S937 I1079 | S937-N1081 PolarHBondContact N-O 3.42Å; I1079-N1081 HydrophobicContact CG2-CB 4.32Å; I1079-N1081 VanDerWaalsContact CG2-ND2 3.29Å; I1079-N1081 WeakPolarHBondContact CG2-ND2 3.25Å; I1079-N1081 PolarHBondContact O-N 3.07Å | ||
| 1082 | P | 80.3 | Confident | 57.1 | Low | 70 Ų | 70 | 109 Ų | 109 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | B | Isolated β-bridge | trans | -70.4 | 131.1 | 175.4 | -16.6 | 30.7 | 0 | 0 | 0 | 111.7 | L935 W936 W1080 N1084 | L935-P1082 CarbonylContact O-C 3.54Å; L935-P1082 WeakPolarHBondContact O-CA 3.21Å; W936-P1082 HydrophobicContact CE3-CG 4.35Å; W936-P1082 HydrophobicContact CZ3-CG 3.84Å; W1080-P1082 WeakPolarHBondContact O-CD 3.45Å; P1082-N1084 PolarHBondContact O-N 2.77Å |
| 1083 | R | 70.3 | Confident | 55.4 | Low | 87 Ų | 87 | 109.8 Ų | 109.8 | 33% | 0.328 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 130.7 | 172.6 | -76.8 | -169.5 | 174.6 | 171.7 | 4.2 | 110.2 | D908 L935 | D908-R1083 IonicContact OD1-CZ 3.16Å; D908-R1083 IonicContact OD1-NH1 3.42Å; D908-R1083 IonicContact OD1-NH2 3.01Å; D908-R1083 PolarHBondContact OD1-NH2 3.3Å; D908-R1083 IonicContact OD2-CZ 3.71Å; D908-R1083 IonicContact OD2-NH2 3.05Å; D908-R1083 PolarHBondContact OD2-NH2 2.95Å; L935-R1083 PolarHBondContact O-N 3.04Å |
| 1084 | N | 52.7 | Low | 53.7 | Low | 111 Ų | 111 | 108.2 Ų | 108.2 | 59% | 0.594 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 125.9 | 170 | -82.6 | -19.6 | 0 | 0 | 0 | 110 | P1082 S1086 K1097 | P1082-N1084 PolarHBondContact O-N 2.77Å; N1084-S1086 PolarHBondContact O-N 3.08Å; N1084-K1097 PolarHBondContact OD1-NZ 3.2Å |
| 1085 | K | 45.8 | Very low | 52.1 | Low | 158 Ų | 158 | 111.1 Ų | 111.1 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | trans | -73.3 | 46.9 | 167.4 | -71.8 | -169.1 | 173.3 | -173.6 | 0 | 112.3 | N1087 | K1085-N1087 VanDerWaalsContact C-N 3.28Å; K1085-N1087 PolarHBondContact O-N 2.81Å | ||
| 1086 | S | 36 | Very low | 50.5 | Low | 95 Ų | 95 | 110.4 Ų | 110.4 | 66% | 0.664 | 55% | 0.554 | S | S | * | * | trans | -78.8 | -9.7 | 179.3 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | N1084 | N1084-S1086 PolarHBondContact O-N 3.08Š| ||
| 1087 | N | 29 | Very low | 49 | Very low | 151 Ų | 151 | 109.6 Ų | 109.6 | 81% | 0.807 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -111.7 | -1.3 | -174.2 | -66.6 | 7.6 | 0 | 0 | 0 | 114.4 | K1085 | K1085-N1087 VanDerWaalsContact C-N 3.28Å; K1085-N1087 PolarHBondContact O-N 2.81Å |
| 1088 | L | 31.5 | Very low | 47.2 | Very low | 87 Ų | 87 | 107.5 Ų | 107.5 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -104.6 | 92.6 | 171.8 | -70.9 | 101.9 | 0 | 0 | 0 | 111.1 | E910 | E910-L1088 WeakPolarHBondContact OE2-CD1 3.46Å; E910-L1088 WeakPolarHBondContact OE2-CD2 3.42Å; E910-L1088 WeakPolarHBondContact OE2-CG 3.49Å |
| 1089 | N | 26.8 | Very low | 45.2 | Very low | 163 Ų | 163 | 107.4 Ų | 107.4 | 87% | 0.872 | 55% | 0.547 | S | S | * | . | trans | 54.2 | 147 | 167 | -75.4 | -22 | 0 | 0 | 0 | 119.4 | N1091 | N1089-N1091 PolarHBondContact O-N 3.28Š| ||
| 1090 | Y | 25.1 | Very low | 42.8 | Very low | 226 Ų | 226 | 110 Ų | 110 | 89% | 0.886 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -63.3 | 106.2 | 175.5 | -82.8 | -109.7 | 0 | 0 | 0 | 111.4 | ||
| 1091 | N | 27.4 | Very low | 40.4 | Very low | 136 Ų | 136 | 112 Ų | 112 | 73% | 0.727 | 57% | 0.574 | S | S | * | * | S | Bend | -178.6 | 137.4 | 115 | -88.8 | -34.1 | 0 | 0 | 0 | 113.6 | N1089 N1093 | N1089-N1091 PolarHBondContact O-N 3.28Å; N1091-N1093 PolarHBondContact O-N 2.86Å | |
| 1092 | N | 28 | Very low | 38 | Very low | 161 Ų | 161 | 112.2 Ų | 112.2 | 86% | 0.861 | 57% | 0.574 | S | S | * | * | trans | 9.9 | 93.6 | 160.7 | -61.9 | -18.7 | 0 | 0 | 0 | 118.2 | ||||
| 1093 | N | 35.2 | Very low | 35.7 | Very low | 98 Ų | 98 | 111 Ų | 111 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | trans | -147.9 | 71.4 | 168.6 | -140.6 | -30.5 | 0 | 0 | 0 | 115.4 | N1091 N1096 | N1091-N1093 PolarHBondContact O-N 2.86Å; N1093-N1096 PolarHBondContact OD1-OD1 3.49Å | ||
| 1094 | T | 35.2 | Very low | 33.8 | Very low | 116 Ų | 116 | 113.2 Ų | 113.2 | 71% | 0.712 | 57% | 0.573 | S | S | * | * | trans | -82.6 | -19.3 | 171.5 | 44.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1095 | N | 34.6 | Very low | 32.9 | Very low | 88 Ų | 88 | 113.4 Ų | 113.4 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -18.7 | -159.3 | -63 | -1.1 | 0 | 0 | 0 | 113.9 | K1097 Q1098 | N1095-K1097 PolarHBondContact O-N 3.38Å; N1095-Q1098 PolarHBondContact O-N 3.34Å |
| 1096 | N | 36.4 | Very low | 32.2 | Very low | 58 Ų | 58 | 111 Ų | 111 | 31% | 0.31 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.2 | -21.8 | 178.8 | -74.3 | 12.3 | 0 | 0 | 0 | 113.6 | M372 N1093 | M372-N1096 WeakPolarHBondContact CE-OD1 3.47Å; M372-N1096 PolarHBondContact SD-OD1 3.09Å; M372-N1096 VanDerWaalsContact SD-OD1 3.38Å; N1093-N1096 PolarHBondContact OD1-OD1 3.49Å |
| 1097 | K | 38.4 | Very low | 32 | Very low | 114 Ų | 114 | 111.9 Ų | 111.9 | 50% | 0.496 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.9 | -35.1 | 178.2 | -71 | -165.9 | 177.8 | -171.1 | 0 | 113.3 | N1084 N1095 S1101 | N1084-K1097 PolarHBondContact OD1-NZ 3.2Å; N1095-K1097 PolarHBondContact O-N 3.38Å; K1097-S1101 PolarHBondContact O-OG 3.39Å |
| 1098 | Q | 33.2 | Very low | 32.2 | Very low | 129 Ų | 129 | 109.6 Ų | 109.6 | 60% | 0.603 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.1 | -36.3 | -179.9 | -79 | -177.3 | -36.9 | 0 | 0 | 112.2 | N1095 Y1100 S1101 I1102 | N1095-Q1098 PolarHBondContact O-N 3.34Å; Q1098-Y1100 PolarHBondContact O-N 2.95Å; Q1098-S1101 CarbonylContact O-C 3.52Å; Q1098-S1101 VanDerWaalsContact O-C 3.31Å; Q1098-S1101 PolarHBondContact O-N 3.13Å; Q1098-S1101 VanDerWaalsContact O-N 3.13Å; Q1098-S1101 PolarHBondContact O-OG 2.99Å; Q1098-I1102 HydrophobicContact CB-CD1 4.07Å; Q1098-I1102 VanDerWaalsContact O-CB 3.28Å; Q1098-I1102 WeakPolarHBondContact O-CB 3.44Å; Q1098-I1102 WeakPolarHBondContact O-CD1 3.43Å; Q1098-I1102 WeakPolarHBondContact O-CG1 3.41Å; Q1098-I1102 PolarHBondContact O-N 3.28Å |
| 1099 | I | 34 | Very low | 32.2 | Very low | 34 Ų | 34 | 111 Ų | 111 | 17% | 0.174 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -66.7 | -39.8 | -177.4 | -60.4 | -179.5 | 0 | 0 | 0 | 111.2 | M372 R376 S1101 I1102 V1103 | M372-I1099 HydrophobicContact CE-CD1 3.67Å; M372-I1099 HydrophobicContact SD-CD1 4.26Å; R376-I1099 HydrophobicContact CG-CD1 4.23Å; I1099-S1101 PolarHBondContact O-N 3.23Å; I1099-I1102 PolarHBondContact O-N 3.05Å; I1099-V1103 PolarHBondContact O-N 2.93Å |
| 1100 | Y | 32.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 107.5 Ų | 107.5 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -22.2 | 174.1 | -97.7 | -89.3 | 0 | 0 | 0 | 114 | Q1098 R1104 | Q1098-Y1100 PolarHBondContact O-N 2.95Å; Y1100-R1104 PolarHBondContact O-N 2.7Å |
| 1101 | S | 35.4 | Very low | 33.1 | Very low | 78 Ų | 78 | 99.1 Ų | 99.1 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 25.6 | 176.4 | 78.9 | 0 | 0 | 0 | 0 | 113.4 | K1097 Q1098 I1099 R1104 | K1097-S1101 PolarHBondContact O-OG 3.39Å; Q1098-S1101 CarbonylContact O-C 3.52Å; Q1098-S1101 VanDerWaalsContact O-C 3.31Å; Q1098-S1101 PolarHBondContact O-N 3.13Å; Q1098-S1101 VanDerWaalsContact O-N 3.13Å; Q1098-S1101 PolarHBondContact O-OG 2.99Å; I1099-S1101 PolarHBondContact O-N 3.23Å; S1101-R1104 WeakPolarHBondContact CA-OXT 3.36Å |
| 1102 | I | 31 | Very low | 33.6 | Very low | 87 Ų | 87 | 96.2 Ų | 96.2 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | -3.4 | 171.8 | -75.1 | 171 | 0 | 0 | 0 | 110.1 | Q383 Q1098 I1099 R1104 | Q383-I1102 PolarHBondContact NE2-O 3.34Å; Q1098-I1102 HydrophobicContact CB-CD1 4.07Å; Q1098-I1102 VanDerWaalsContact O-CB 3.28Å; Q1098-I1102 WeakPolarHBondContact O-CB 3.44Å; Q1098-I1102 WeakPolarHBondContact O-CD1 3.43Å; Q1098-I1102 WeakPolarHBondContact O-CG1 3.41Å; Q1098-I1102 PolarHBondContact O-N 3.28Å; I1099-I1102 PolarHBondContact O-N 3.05Å; I1102-R1104 PolarHBondContact N-OXT 2.83Å |
| 1103 | V | 31.1 | Very low | 34 | Very low | 43 Ų | 43 | 90.8 Ų | 90.8 | 26% | 0.261 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -32.2 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | L277 A379 I1099 | L277-V1103 HydrophobicContact CD2-CG1 4.06Å; A379-V1103 HydrophobicContact CB-CG2 4.3Å; I1099-V1103 PolarHBondContact O-N 2.93Å |
| 1104 | R | 31.5 | Very low | 33.9 | Very low | 135 Ų | 135 | 90.2 Ų | 90.2 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | trans | -87.8 | 0 | 147 | -62.1 | -172.5 | -169.6 | 161.5 | 16.2 | 109.2 | E932 H1061 E1064 Y1100 S1101 I1102 | E932-R1104 IonicContact OE1-CZ 3.99Å; E932-R1104 IonicContact OE1-NH1 2.62Å; E932-R1104 IonicContact OE1-NH2 2.74Å; E932-R1104 PolarHBondContact OE1-NH2 2.88Å; E932-R1104 IonicContact OE2-NH2 3.84Å; H1061-R1104 PolarHBondContact NE2-NH2 3.05Å; E1064-R1104 IonicContact OE2-CZ 3.3Å; E1064-R1104 IonicContact OE2-NH1 2.67Å; E1064-R1104 PolarHBondContact OE2-NH1 3.26Å; Y1100-R1104 PolarHBondContact O-N 2.7Å; S1101-R1104 WeakPolarHBondContact CA-OXT 3.36Å; I1102-R1104 PolarHBondContact N-OXT 2.83Å |
Retrieved 1,104 of 1,104 residues in 212.3 ms
(Link to these results)