| 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 | 51.9 | Low | 78.1 | Confident | 164 Ų | 164 | 82.7 Ų | 82.7 | 81% | 0.808 | 41% | 0.414 | S | S | * | . | 0 | 156 | 0 | -65.9 | -168.6 | -176.9 | 0 | 0 | 110.2 | E40 | M1-E40 WeakPolarHBondContact CE-OE1 3.33Š| |||
| 2 | P | 61.3 | Low | 79.3 | Confident | 119 Ų | 119 | 90.8 Ų | 90.8 | 77% | 0.773 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 155 | 165.4 | 27.2 | -35.3 | 0 | 0 | 0 | 110.7 | ||
| 3 | A | 64.4 | Low | 80.1 | Confident | 69 Ų | 69 | 87.4 Ų | 87.4 | 57% | 0.57 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 126.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 4 | P | 69.6 | Low | 80.9 | Confident | 29 Ų | 29 | 81.9 Ų | 81.9 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -66 | 146.3 | -175.9 | 25.3 | -32.9 | 0 | 0 | 0 | 110.8 | R6 Y45 | P4-R6 PolarHBondContact O-N 3.44Å; P4-Y45 HydrophobicContact CG-CD1 4.03Å; P4-Y45 HydrophobicContact CG-CD2 3.71Å; P4-Y45 HydrophobicContact CG-CE2 4.41Å; P4-Y45 HydrophobicContact CG-CG 3.47Å; P4-Y45 VanDerWaalsContact CG-CG 3.47Å |
| 5 | K | 78.8 | Confident | 81.5 | Confident | 86 Ų | 86 | 86.1 Ų | 86.1 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -46.2 | 139.1 | 177.2 | -73.1 | -173.9 | 175.2 | -173.3 | 0 | 111.3 | E9 D13 K52 | K5-E9 WeakPolarHBondContact CA-OE2 3.27Å; K5-D13 IonicContact NZ-OD2 2.62Å; K5-D13 PolarHBondContact NZ-OD2 2.71Å; K5-K52 WeakPolarHBondContact O-CD 3.26Å; K5-K52 PolarHBondContact O-NZ 3.06Å; K5-K52 VanDerWaalsContact O-NZ 3.1Å |
| 6 | R | 85.1 | Confident | 82.2 | Confident | 161 Ų | 161 | 85.6 Ų | 85.6 | 61% | 0.608 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -72 | 151.8 | 174.3 | -57.3 | -177.2 | -179.2 | -163 | -0.5 | 109.4 | P4 R8 E9 L10 | P4-R6 PolarHBondContact O-N 3.44Å; R6-R8 PolarHBondContact O-N 3.07Å; R6-E9 HydrophobicContact CB-CG 4.32Å; R6-E9 VanDerWaalsContact CD-OE1 3.26Å; R6-E9 WeakPolarHBondContact CD-OE1 3.3Å; R6-E9 VanDerWaalsContact CG-OE1 3.3Å; R6-E9 WeakPolarHBondContact CG-OE1 3.28Å; R6-E9 PolarHBondContact N-OE2 2.95Å; R6-E9 IonicContact NE-OE1 3.91Å; R6-E9 WeakPolarHBondContact O-CB 3.48Å; R6-E9 PolarHBondContact O-N 3.49Å; R6-L10 PolarHBondContact O-N 3.27Å; R6-L10 VanDerWaalsContact O-N 3.12Å |
| 7 | L | 87 | Confident | 82.7 | Confident | 46 Ų | 46 | 81.8 Ų | 81.8 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -52.4 | -41.7 | 175.7 | 175.1 | 62.5 | 0 | 0 | 0 | 112.4 | E9 L10 V11 A51 K52 Y55 | L7-E9 VanDerWaalsContact C-N 3.26Å; L7-E9 PolarHBondContact O-N 2.85Å; L7-L10 PolarHBondContact O-N 2.99Å; L7-V11 HydrophobicContact CD1-CG2 4.11Å; L7-V11 HydrophobicContact CG-CG2 4.34Å; L7-V11 VanDerWaalsContact O-CG2 3.23Å; L7-V11 WeakPolarHBondContact O-CG2 3.33Å; L7-V11 PolarHBondContact O-N 3.47Å; L7-A51 HydrophobicContact CD2-CB 4.49Å; L7-K52 HydrophobicContact CB-CG 4.31Å; L7-K52 HydrophobicContact CD1-CG 4.16Å; L7-Y55 HydrophobicContact CD1-CD1 4.36Å; L7-Y55 HydrophobicContact CD1-CG 4.05Å |
| 8 | R | 89.8 | Confident | 83.1 | Confident | 149 Ų | 149 | 90.2 Ų | 90.2 | 56% | 0.562 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.5 | -26.1 | 177.7 | -63.6 | -175.1 | -176.2 | -177.1 | 0.2 | 113.8 | R6 R12 F674 | R6-R8 PolarHBondContact O-N 3.07Å; R8-R12 WeakPolarHBondContact O-CD 3.49Å; R8-R12 VanDerWaalsContact O-CG 3.28Å; R8-R12 WeakPolarHBondContact O-CG 3.39Å; R8-R12 PolarHBondContact O-N 3.15Å; R8-F674 PolarHBondContact NH2-O 3.03Å |
| 9 | E | 89.7 | Confident | 83.5 | Confident | 72 Ų | 72 | 89.5 Ų | 89.5 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -76.9 | -47.3 | 174.5 | -69 | 146.2 | -155.3 | 0 | 0 | 109.7 | K5 R6 L7 V11 R12 D13 | K5-E9 WeakPolarHBondContact CA-OE2 3.27Å; R6-E9 HydrophobicContact CB-CG 4.32Å; R6-E9 VanDerWaalsContact CD-OE1 3.26Å; R6-E9 WeakPolarHBondContact CD-OE1 3.3Å; R6-E9 VanDerWaalsContact CG-OE1 3.3Å; R6-E9 WeakPolarHBondContact CG-OE1 3.28Å; R6-E9 PolarHBondContact N-OE2 2.95Å; R6-E9 IonicContact NE-OE1 3.91Å; R6-E9 WeakPolarHBondContact O-CB 3.48Å; R6-E9 PolarHBondContact O-N 3.49Å; L7-E9 VanDerWaalsContact C-N 3.26Å; L7-E9 PolarHBondContact O-N 2.85Å; E9-V11 VanDerWaalsContact C-N 3.32Å; E9-V11 PolarHBondContact O-N 2.8Å; E9-R12 WeakPolarHBondContact O-CB 3.46Å; E9-R12 PolarHBondContact O-N 3.23Å; E9-D13 PolarHBondContact O-N 3.06Å |
| 10 | L | 89.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 174.4 | 178.6 | 64.4 | 0 | 0 | 0 | 112.6 | R6 L7 R12 D13 I14 I26 E30 K52 I56 | R6-L10 PolarHBondContact O-N 3.27Å; R6-L10 VanDerWaalsContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 2.99Å; L10-R12 VanDerWaalsContact C-N 3.28Å; L10-R12 PolarHBondContact O-N 3.24Å; L10-D13 PolarHBondContact O-N 3.03Å; L10-I14 HydrophobicContact CD1-CD1 3.75Å; L10-I14 HydrophobicContact CD1-CG1 4.11Å; L10-I14 HydrophobicContact CD2-CD1 4.47Å; L10-I14 HydrophobicContact CG-CD1 3.82Å; L10-I14 HydrophobicContact CG-CG1 4.49Å; L10-I14 WeakPolarHBondContact O-CB 3.39Å; L10-I14 WeakPolarHBondContact O-CG1 3.43Å; L10-I14 PolarHBondContact O-N 3.18Å; L10-I26 HydrophobicContact CD1-CG2 4.28Å; L10-E30 HydrophobicContact CD1-CB 4.01Å; L10-E30 HydrophobicContact CD1-CG 3.84Å; L10-E30 HydrophobicContact CD2-CG 4.11Å; L10-K52 HydrophobicContact CB-CD 4.45Å; L10-K52 HydrophobicContact CD2-CB 3.75Å; L10-K52 HydrophobicContact CD2-CD 4.02Å; L10-K52 HydrophobicContact CD2-CG 3.75Å; L10-I56 HydrophobicContact CD2-CD1 4.02Å; L10-I56 HydrophobicContact CD2-CG1 4.13Å |
| 11 | V | 92 | Very high | 84.1 | Confident | 15 Ų | 15 | 86.9 Ų | 86.9 | 9% | 0.091 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L7 E9 R15 Y55 | L7-V11 HydrophobicContact CD1-CG2 4.11Å; L7-V11 HydrophobicContact CG-CG2 4.34Å; L7-V11 VanDerWaalsContact O-CG2 3.23Å; L7-V11 WeakPolarHBondContact O-CG2 3.33Å; L7-V11 PolarHBondContact O-N 3.47Å; E9-V11 VanDerWaalsContact C-N 3.32Å; E9-V11 PolarHBondContact O-N 2.8Å; V11-R15 VanDerWaalsContact O-CB 3.3Å; V11-R15 WeakPolarHBondContact O-CB 3.28Å; V11-R15 VanDerWaalsContact O-CG 3.24Å; V11-R15 WeakPolarHBondContact O-CG 3.45Å; V11-R15 PolarHBondContact O-N 3Å; V11-R15 VanDerWaalsContact O-N 3.07Å; V11-Y55 HydrophobicContact CB-CE1 4.33Å; V11-Y55 HydrophobicContact CG2-CD1 3.9Å; V11-Y55 HydrophobicContact CG2-CD2 4.28Å; V11-Y55 HydrophobicContact CG2-CE1 3.62Å; V11-Y55 HydrophobicContact CG2-CE2 4.05Å; V11-Y55 HydrophobicContact CG2-CG 4.22Å |
| 12 | R | 92.5 | Very high | 86 | Confident | 180 Ų | 180 | 83 Ų | 83 | 68% | 0.679 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -71.3 | -45.7 | 176 | -74.8 | 169.7 | 179.7 | 176.1 | -2.4 | 111.6 | R8 E9 L10 I14 R15 S16 | R8-R12 WeakPolarHBondContact O-CD 3.49Å; R8-R12 VanDerWaalsContact O-CG 3.28Å; R8-R12 WeakPolarHBondContact O-CG 3.39Å; R8-R12 PolarHBondContact O-N 3.15Å; E9-R12 WeakPolarHBondContact O-CB 3.46Å; E9-R12 PolarHBondContact O-N 3.23Å; L10-R12 VanDerWaalsContact C-N 3.28Å; L10-R12 PolarHBondContact O-N 3.24Å; R12-I14 PolarHBondContact O-N 3.19Å; R12-R15 CarbonylContact O-C 3.49Å; R12-R15 PolarHBondContact O-N 2.88Å; R12-S16 WeakPolarHBondContact O-CB 3.13Å; R12-S16 PolarHBondContact O-N 3.44Å; R12-S16 PolarHBondContact O-OG 2.98Å |
| 13 | D | 90.1 | Very high | 87.4 | Confident | 46 Ų | 46 | 79.8 Ų | 79.8 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 178.2 | -66.9 | -7.2 | 0 | 0 | 0 | 110.4 | K5 E9 L10 R15 S16 A17 I26 | K5-D13 IonicContact NZ-OD2 2.62Å; K5-D13 PolarHBondContact NZ-OD2 2.71Å; E9-D13 PolarHBondContact O-N 3.06Å; L10-D13 PolarHBondContact O-N 3.03Å; D13-R15 PolarHBondContact O-N 2.97Å; D13-S16 PolarHBondContact O-N 3.33Å; D13-S16 VanDerWaalsContact O-N 3.11Å; D13-S16 PolarHBondContact O-OG 3.29Å; D13-A17 PolarHBondContact O-N 3.29Å; D13-I26 HydrophobicContact CB-CG2 4.06Å; D13-I26 WeakPolarHBondContact O-CD1 3.48Å |
| 14 | I | 90.6 | Very high | 88.8 | Confident | 11 Ų | 11 | 83.2 Ų | 83.2 | 6% | 0.056 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 176.9 | -72.2 | 174.3 | 0 | 0 | 0 | 111.2 | L10 R12 S16 A17 E23 I26 V27 Y55 L59 | L10-I14 HydrophobicContact CD1-CD1 3.75Å; L10-I14 HydrophobicContact CD1-CG1 4.11Å; L10-I14 HydrophobicContact CD2-CD1 4.47Å; L10-I14 HydrophobicContact CG-CD1 3.82Å; L10-I14 HydrophobicContact CG-CG1 4.49Å; L10-I14 WeakPolarHBondContact O-CB 3.39Å; L10-I14 WeakPolarHBondContact O-CG1 3.43Å; L10-I14 PolarHBondContact O-N 3.18Å; R12-I14 PolarHBondContact O-N 3.19Å; I14-S16 PolarHBondContact O-N 2.79Å; I14-A17 WeakPolarHBondContact O-CB 3.39Å; I14-A17 PolarHBondContact O-N 3.39Å; I14-E23 HydrophobicContact CG2-CG 3.97Å; I14-I26 HydrophobicContact CG1-CG2 3.94Å; I14-V27 HydrophobicContact CD1-CG2 3.8Å; I14-V27 HydrophobicContact CG1-CG2 4.23Å; I14-Y55 HydrophobicContact CD1-CD1 4.37Å; I14-Y55 HydrophobicContact CD1-CE1 3.98Å; I14-L59 HydrophobicContact CD1-CD1 3.97Å; I14-L59 HydrophobicContact CG2-CD1 3.87Å |
| 15 | R | 90.5 | Very high | 89.8 | Confident | 145 Ų | 145 | 84 Ų | 84 | 55% | 0.547 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69 | -15.2 | 176.7 | -74.1 | 179 | 175.9 | -163.5 | -2.7 | 114.5 | V11 R12 D13 | V11-R15 VanDerWaalsContact O-CB 3.3Å; V11-R15 WeakPolarHBondContact O-CB 3.28Å; V11-R15 VanDerWaalsContact O-CG 3.24Å; V11-R15 WeakPolarHBondContact O-CG 3.45Å; V11-R15 PolarHBondContact O-N 3Å; V11-R15 VanDerWaalsContact O-N 3.07Å; R12-R15 CarbonylContact O-C 3.49Å; R12-R15 PolarHBondContact O-N 2.88Å; D13-R15 PolarHBondContact O-N 2.97Å |
| 16 | S | 92 | Very high | 90.4 | Very high | 77 Ų | 77 | 81 Ų | 81 | 54% | 0.538 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -87.5 | -12.9 | 175.7 | 73 | 0 | 0 | 0 | 0 | 113.4 | R12 D13 I14 R18 | R12-S16 WeakPolarHBondContact O-CB 3.13Å; R12-S16 PolarHBondContact O-N 3.44Å; R12-S16 PolarHBondContact O-OG 2.98Å; D13-S16 PolarHBondContact O-N 3.33Å; D13-S16 VanDerWaalsContact O-N 3.11Å; D13-S16 PolarHBondContact O-OG 3.29Å; I14-S16 PolarHBondContact O-N 2.79Å; S16-R18 PolarHBondContact O-N 3.22Å |
| 17 | A | 90.2 | Very high | 90.8 | Very high | 22 Ų | 22 | 73.3 Ų | 73.3 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | trans | -63.9 | 128.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D13 I14 E22 E23 I26 | D13-A17 PolarHBondContact O-N 3.29Å; I14-A17 WeakPolarHBondContact O-CB 3.39Å; I14-A17 PolarHBondContact O-N 3.39Å; A17-E22 WeakPolarHBondContact CA-OE2 3.46Å; A17-E22 HydrophobicContact CB-CB 4.11Å; A17-E22 HydrophobicContact CB-CG 3.88Å; A17-E23 HydrophobicContact CB-CB 3.96Å; A17-I26 HydrophobicContact CB-CD1 4.21Å | ||
| 18 | R | 90.2 | Very high | 91 | Very high | 232 Ų | 232 | 75.8 Ų | 75.8 | 88% | 0.875 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -87.8 | -14.4 | 179.5 | -61.7 | -177.6 | 179.9 | -171.6 | -0.7 | 112.9 | S16 E22 | S16-R18 PolarHBondContact O-N 3.22Å; R18-E22 PolarHBondContact N-OE2 3.36Å |
| 19 | T | 91.3 | Very high | 91 | Very high | 78 Ų | 78 | 76.1 Ų | 76.1 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -139 | 150.2 | -177.9 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | A21 E22 E23 | T19-A21 PolarHBondContact O-N 3.21Å; T19-A21 VanDerWaalsContact O-N 3.16Å; T19-E22 WeakPolarHBondContact O-CB 3.23Å; T19-E22 PolarHBondContact O-N 3.33Å; T19-E22 VanDerWaalsContact O-N 3.09Å; T19-E22 WeakPolarHBondContact OG1-CB 3.42Å; T19-E22 PolarHBondContact OG1-N 2.89Å; T19-E22 VanDerWaalsContact OG1-N 3.13Å; T19-E23 PolarHBondContact O-N 3.18Å |
| 20 | A | 89.1 | Confident | 91.1 | Very high | 54 Ų | 54 | 73 Ų | 73 | 45% | 0.446 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.8 | -25 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R24 | A20-R24 WeakPolarHBondContact O-CB 3.28Å; A20-R24 VanDerWaalsContact O-CD 3.24Å; A20-R24 WeakPolarHBondContact O-CD 3.4Å; A20-R24 WeakPolarHBondContact O-CG 3.46Å; A20-R24 PolarHBondContact O-N 2.78Å |
| 21 | A | 90.4 | Very high | 91.1 | Very high | 69 Ų | 69 | 73.3 Ų | 73.3 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -70.7 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T19 A25 | T19-A21 PolarHBondContact O-N 3.21Å; T19-A21 VanDerWaalsContact O-N 3.16Å; A21-A25 WeakPolarHBondContact O-CB 3.4Å; A21-A25 PolarHBondContact O-N 3.31Å |
| 22 | E | 91.1 | Very high | 91 | Very high | 83 Ų | 83 | 74.3 Ų | 74.3 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 174.5 | -178.4 | 174.7 | -153.3 | 0 | 0 | 111.4 | A17 R18 T19 A25 I26 | A17-E22 WeakPolarHBondContact CA-OE2 3.46Å; A17-E22 HydrophobicContact CB-CB 4.11Å; A17-E22 HydrophobicContact CB-CG 3.88Å; R18-E22 PolarHBondContact N-OE2 3.36Å; T19-E22 WeakPolarHBondContact O-CB 3.23Å; T19-E22 PolarHBondContact O-N 3.33Å; T19-E22 VanDerWaalsContact O-N 3.09Å; T19-E22 WeakPolarHBondContact OG1-CB 3.42Å; T19-E22 PolarHBondContact OG1-N 2.89Å; T19-E22 VanDerWaalsContact OG1-N 3.13Å; E22-A25 WeakPolarHBondContact O-CB 3.47Å; E22-A25 PolarHBondContact O-N 3.12Å; E22-A25 VanDerWaalsContact O-N 3.16Å; E22-I26 HydrophobicContact CG-CD1 4.23Å; E22-I26 WeakPolarHBondContact O-CG1 3.43Å; E22-I26 PolarHBondContact O-N 3Å |
| 23 | E | 92 | Very high | 90.8 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 24% | 0.238 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.5 | -51.4 | 174.5 | -164.2 | -159.1 | 114.4 | 0 | 0 | 111.3 | I14 A17 T19 A25 I26 V27 Y61 | I14-E23 HydrophobicContact CG2-CG 3.97Å; A17-E23 HydrophobicContact CB-CB 3.96Å; T19-E23 PolarHBondContact O-N 3.18Å; E23-A25 VanDerWaalsContact C-N 3.28Å; E23-A25 PolarHBondContact O-N 3.1Å; E23-I26 PolarHBondContact O-N 3.05Å; E23-I26 VanDerWaalsContact O-N 3.15Å; E23-V27 WeakPolarHBondContact O-CG2 3.39Å; E23-V27 PolarHBondContact O-N 2.96Å; E23-Y61 VanDerWaalsContact OE1-CE2 3.24Å; E23-Y61 WeakPolarHBondContact OE1-CE2 3.37Å; E23-Y61 PolarHBondContact OE1-OH 3.45Å |
| 24 | R | 92.5 | Very high | 90.8 | Very high | 142 Ų | 142 | 68.1 Ų | 68.1 | 54% | 0.536 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.6 | -39.9 | 174.4 | -74.9 | 164.8 | -172.6 | 174.1 | 2.5 | 112.2 | A20 N28 Y61 | A20-R24 WeakPolarHBondContact O-CB 3.28Å; A20-R24 VanDerWaalsContact O-CD 3.24Å; A20-R24 WeakPolarHBondContact O-CD 3.4Å; A20-R24 WeakPolarHBondContact O-CG 3.46Å; A20-R24 PolarHBondContact O-N 2.78Å; R24-N28 WeakPolarHBondContact O-CB 3.16Å; R24-N28 PolarHBondContact O-N 3.17Å; R24-N28 PolarHBondContact O-ND2 2.93Å; R24-Y61 HydrophobicContact CG-CE1 3.93Å |
| 25 | A | 91.9 | Very high | 90.6 | Very high | 46 Ų | 46 | 73.1 Ų | 73.1 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A21 E22 E23 R29 | A21-A25 WeakPolarHBondContact O-CB 3.4Å; A21-A25 PolarHBondContact O-N 3.31Å; E22-A25 WeakPolarHBondContact O-CB 3.47Å; E22-A25 PolarHBondContact O-N 3.12Å; E22-A25 VanDerWaalsContact O-N 3.16Å; E23-A25 VanDerWaalsContact C-N 3.28Å; E23-A25 PolarHBondContact O-N 3.1Å; A25-R29 VanDerWaalsContact O-CB 3.28Å; A25-R29 WeakPolarHBondContact O-CB 3.37Å; A25-R29 PolarHBondContact O-N 2.67Å; A25-R29 VanDerWaalsContact O-N 3.11Å |
| 26 | I | 91.5 | Very high | 90.4 | Very high | 21 Ų | 21 | 69.4 Ų | 69.4 | 11% | 0.108 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.3 | -49.6 | 174.1 | -67.2 | 164.8 | 0 | 0 | 0 | 110.3 | L10 D13 I14 A17 E22 E23 R29 E30 | L10-I26 HydrophobicContact CD1-CG2 4.28Å; D13-I26 HydrophobicContact CB-CG2 4.06Å; D13-I26 WeakPolarHBondContact O-CD1 3.48Å; I14-I26 HydrophobicContact CG1-CG2 3.94Å; A17-I26 HydrophobicContact CB-CD1 4.21Å; E22-I26 HydrophobicContact CG-CD1 4.23Å; E22-I26 WeakPolarHBondContact O-CG1 3.43Å; E22-I26 PolarHBondContact O-N 3Å; E23-I26 PolarHBondContact O-N 3.05Å; E23-I26 VanDerWaalsContact O-N 3.15Å; I26-R29 PolarHBondContact O-N 2.86Å; I26-E30 PolarHBondContact O-N 2.62Å |
| 27 | V | 92 | Very high | 90.1 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 179.1 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | I14 E23 R29 E30 C31 I56 Y61 | I14-V27 HydrophobicContact CD1-CG2 3.8Å; I14-V27 HydrophobicContact CG1-CG2 4.23Å; E23-V27 WeakPolarHBondContact O-CG2 3.39Å; E23-V27 PolarHBondContact O-N 2.96Å; V27-R29 VanDerWaalsContact C-N 3.34Å; V27-R29 PolarHBondContact O-N 2.83Å; V27-E30 PolarHBondContact O-N 2.99Å; V27-C31 WeakPolarHBondContact O-CB 3.33Å; V27-C31 PolarHBondContact O-N 3.43Å; V27-C31 PolarHBondContact O-SG 3.48Å; V27-I56 HydrophobicContact CG1-CD1 4.45Å; V27-I56 HydrophobicContact CG1-CG1 4.37Å; V27-I56 HydrophobicContact CG1-CG2 3.65Å; V27-Y61 HydrophobicContact CG1-CD1 4Å; V27-Y61 HydrophobicContact CG1-CD2 3.99Å; V27-Y61 HydrophobicContact CG1-CE1 4.37Å; V27-Y61 HydrophobicContact CG1-CE2 4.36Å; V27-Y61 HydrophobicContact CG1-CG 3.8Å; V27-Y61 HydrophobicContact CG2-CD2 4.21Å; V27-Y61 HydrophobicContact CG2-CE2 3.93Å |
| 28 | N | 91.7 | Very high | 89.9 | Confident | 98 Ų | 98 | 66 Ų | 66 | 52% | 0.524 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 179.1 | -77.1 | -28.9 | 0 | 0 | 0 | 112.5 | R24 A32 | R24-N28 WeakPolarHBondContact O-CB 3.16Å; R24-N28 PolarHBondContact O-N 3.17Å; R24-N28 PolarHBondContact O-ND2 2.93Å; N28-A32 PolarHBondContact O-N 3.31Å |
| 29 | R | 91 | Very high | 89.5 | Confident | 155 Ų | 155 | 64.2 Ų | 64.2 | 59% | 0.585 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.2 | -46.8 | 175.4 | -174.3 | -174.1 | -63.6 | 126.9 | -2.5 | 111.3 | A25 I26 V27 A32 L33 | A25-R29 VanDerWaalsContact O-CB 3.28Å; A25-R29 WeakPolarHBondContact O-CB 3.37Å; A25-R29 PolarHBondContact O-N 2.67Å; A25-R29 VanDerWaalsContact O-N 3.11Å; I26-R29 PolarHBondContact O-N 2.86Å; V27-R29 VanDerWaalsContact C-N 3.34Å; V27-R29 PolarHBondContact O-N 2.83Å; R29-A32 WeakPolarHBondContact O-CB 3.46Å; R29-A32 PolarHBondContact O-N 2.76Å; R29-L33 WeakPolarHBondContact O-CG 3.16Å; R29-L33 PolarHBondContact O-N 2.71Å; R29-L33 VanDerWaalsContact O-N 3.15Å |
| 30 | E | 90.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 178.9 | -167.2 | 67.7 | -161.5 | 0 | 0 | 111.8 | L10 I26 V27 A32 L33 I34 K52 I56 | L10-E30 HydrophobicContact CD1-CB 4.01Å; L10-E30 HydrophobicContact CD1-CG 3.84Å; L10-E30 HydrophobicContact CD2-CG 4.11Å; I26-E30 PolarHBondContact O-N 2.62Å; V27-E30 PolarHBondContact O-N 2.99Å; E30-A32 VanDerWaalsContact C-N 3.3Å; E30-A32 PolarHBondContact O-N 2.91Å; E30-L33 PolarHBondContact O-N 3.26Å; E30-I34 HydrophobicContact CG-CD1 4Å; E30-I34 HydrophobicContact CG-CG1 4.45Å; E30-I34 WeakPolarHBondContact O-CB 3.26Å; E30-I34 VanDerWaalsContact O-CG1 3.28Å; E30-I34 WeakPolarHBondContact O-CG1 3.46Å; E30-I34 PolarHBondContact O-N 2.95Å; E30-K52 HydrophobicContact CG-CD 4.45Å; E30-K52 WeakPolarHBondContact OE1-CD 3.49Å; E30-K52 WeakPolarHBondContact OE1-CE 3.39Å; E30-K52 IonicContact OE1-NZ 2.67Å; E30-K52 PolarHBondContact OE1-NZ 3.43Å; E30-I56 HydrophobicContact CG-CD1 4.47Å |
| 31 | C | 90.5 | Very high | 87.7 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -34.9 | 172.9 | -80.6 | 0 | 0 | 0 | 0 | 113 | V27 R35 F65 | V27-C31 WeakPolarHBondContact O-CB 3.33Å; V27-C31 PolarHBondContact O-N 3.43Å; V27-C31 PolarHBondContact O-SG 3.48Å; C31-R35 WeakPolarHBondContact O-CB 3.39Å; C31-R35 WeakPolarHBondContact O-CG 3.46Å; C31-R35 PolarHBondContact O-N 3.37Å; C31-R35 PolarHBondContact O-NE 3.33Å; C31-F65 HydrophobicContact CB-CZ 4.47Å |
| 32 | A | 88.9 | Confident | 86.5 | Confident | 35 Ų | 35 | 73.7 Ų | 73.7 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.5 | -52.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N28 R29 E30 I34 R35 D36 | N28-A32 PolarHBondContact O-N 3.31Å; R29-A32 WeakPolarHBondContact O-CB 3.46Å; R29-A32 PolarHBondContact O-N 2.76Å; E30-A32 VanDerWaalsContact C-N 3.3Å; E30-A32 PolarHBondContact O-N 2.91Å; A32-I34 VanDerWaalsContact C-N 3.29Å; A32-I34 PolarHBondContact O-N 3.15Å; A32-R35 PolarHBondContact O-N 3.06Å; A32-R35 VanDerWaalsContact O-N 3.08Å; A32-D36 PolarHBondContact O-N 3.22Å |
| 33 | L | 89 | Confident | 85.4 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 51% | 0.508 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 177.6 | -65.4 | 173.8 | 0 | 0 | 0 | 113 | R29 E30 S37 | R29-L33 WeakPolarHBondContact O-CG 3.16Å; R29-L33 PolarHBondContact O-N 2.71Å; R29-L33 VanDerWaalsContact O-N 3.15Å; E30-L33 PolarHBondContact O-N 3.26Å; L33-S37 VanDerWaalsContact O-CB 3.28Å; L33-S37 WeakPolarHBondContact O-CB 3.26Å; L33-S37 PolarHBondContact O-N 2.74Å |
| 34 | I | 89.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 175.4 | -71.1 | 168.4 | 0 | 0 | 0 | 110.6 | E30 A32 S37 F38 N49 K52 L53 I56 F65 | E30-I34 HydrophobicContact CG-CD1 4Å; E30-I34 HydrophobicContact CG-CG1 4.45Å; E30-I34 WeakPolarHBondContact O-CB 3.26Å; E30-I34 VanDerWaalsContact O-CG1 3.28Å; E30-I34 WeakPolarHBondContact O-CG1 3.46Å; E30-I34 PolarHBondContact O-N 2.95Å; A32-I34 VanDerWaalsContact C-N 3.29Å; A32-I34 PolarHBondContact O-N 3.15Å; I34-S37 PolarHBondContact O-N 2.91Å; I34-F38 HydrophobicContact CG2-CD2 3.79Å; I34-F38 HydrophobicContact CG2-CE1 4.17Å; I34-F38 HydrophobicContact CG2-CE2 3.32Å; I34-F38 HydrophobicContact CG2-CG 4.39Å; I34-F38 HydrophobicContact CG2-CZ 3.54Å; I34-F38 VanDerWaalsContact O-CG 3.24Å; I34-F38 WeakPolarHBondContact O-CG 3.47Å; I34-F38 PolarHBondContact O-N 3.47Å; I34-N49 HydrophobicContact CG1-CB 4.29Å; I34-N49 HydrophobicContact CG2-CB 4.26Å; I34-K52 HydrophobicContact CD1-CB 3.89Å; I34-L53 HydrophobicContact CD1-CB 4.5Å; I34-L53 HydrophobicContact CG2-CD2 4.48Å; I34-I56 HydrophobicContact CD1-CD1 4.3Å; I34-F65 HydrophobicContact CG2-CE2 3.98Å; I34-F65 HydrophobicContact CG2-CZ 4.44Å |
| 35 | R | 87.7 | Confident | 84.1 | Confident | 116 Ų | 116 | 70.6 Ų | 70.6 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.1 | -77.2 | -179.1 | -66 | -146.5 | 0.8 | 112.3 | C31 A32 F38 R39 F65 | C31-R35 WeakPolarHBondContact O-CB 3.39Å; C31-R35 WeakPolarHBondContact O-CG 3.46Å; C31-R35 PolarHBondContact O-N 3.37Å; C31-R35 PolarHBondContact O-NE 3.33Å; A32-R35 PolarHBondContact O-N 3.06Å; A32-R35 VanDerWaalsContact O-N 3.08Å; R35-F38 PolarHBondContact O-N 3.03Å; R35-R39 PolarHBondContact O-N 3Å; R35-F65 HydrophobicContact CG-CD2 3.6Å; R35-F65 HydrophobicContact CG-CE1 4.39Å; R35-F65 HydrophobicContact CG-CE2 3.37Å; R35-F65 HydrophobicContact CG-CG 4.21Å; R35-F65 HydrophobicContact CG-CZ 3.8Å |
| 36 | D | 86.6 | Confident | 83.8 | Confident | 67 Ų | 67 | 70.5 Ų | 70.5 | 36% | 0.358 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 177.8 | -69.3 | -35.5 | 0 | 0 | 0 | 111.6 | A32 F38 R39 | A32-D36 PolarHBondContact O-N 3.22Å; D36-F38 VanDerWaalsContact C-N 3.33Å; D36-F38 PolarHBondContact O-N 3.28Å; D36-R39 WeakPolarHBondContact O-CB 3.35Å; D36-R39 PolarHBondContact O-N 3.28Å; D36-R39 IonicContact OD1-CZ 3.78Å; D36-R39 IonicContact OD1-NH1 3.46Å; D36-R39 PolarHBondContact OD1-NH1 2.96Å |
| 37 | S | 85.1 | Confident | 83.6 | Confident | 8 Ų | 8 | 70.8 Ų | 70.8 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.9 | -28.9 | 174.9 | -169.4 | 0 | 0 | 0 | 0 | 113.1 | L33 I34 R39 E40 N43 N49 | L33-S37 VanDerWaalsContact O-CB 3.28Å; L33-S37 WeakPolarHBondContact O-CB 3.26Å; L33-S37 PolarHBondContact O-N 2.74Å; I34-S37 PolarHBondContact O-N 2.91Å; S37-R39 VanDerWaalsContact C-N 3.29Å; S37-R39 PolarHBondContact O-N 3.47Å; S37-E40 PolarHBondContact O-N 3.08Å; S37-N43 VanDerWaalsContact C-ND2 3.3Å; S37-N43 PolarHBondContact O-ND2 3.18Å; S37-N43 PolarHBondContact OG-ND2 3.29Å; S37-N49 WeakPolarHBondContact CB-ND2 3.46Å; S37-N49 PolarHBondContact OG-ND2 3.46Å |
| 38 | F | 85.5 | Confident | 83.4 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -73.9 | -16.3 | 174.3 | -70.5 | -21.6 | 0 | 0 | 0 | 114.1 | I34 R35 D36 E40 R46 N49 V50 L53 F65 E69 | I34-F38 HydrophobicContact CG2-CD2 3.79Å; I34-F38 HydrophobicContact CG2-CE1 4.17Å; I34-F38 HydrophobicContact CG2-CE2 3.32Å; I34-F38 HydrophobicContact CG2-CG 4.39Å; I34-F38 HydrophobicContact CG2-CZ 3.54Å; I34-F38 VanDerWaalsContact O-CG 3.24Å; I34-F38 WeakPolarHBondContact O-CG 3.47Å; I34-F38 PolarHBondContact O-N 3.47Å; R35-F38 PolarHBondContact O-N 3.03Å; D36-F38 VanDerWaalsContact C-N 3.33Å; D36-F38 PolarHBondContact O-N 3.28Å; F38-E40 VanDerWaalsContact C-N 3.26Å; F38-R46 HydrophobicContact CE1-CG 4.42Å; F38-N49 HydrophobicContact CD1-CB 4.44Å; F38-N49 HydrophobicContact CE1-CB 3.58Å; F38-N49 HydrophobicContact CZ-CB 4Å; F38-V50 HydrophobicContact CE1-CG2 4.1Å; F38-V50 HydrophobicContact CZ-CG2 3.7Å; F38-L53 HydrophobicContact CE2-CD2 3.9Å; F38-L53 HydrophobicContact CZ-CD2 4.4Å; F38-F65 HydrophobicContact CD2-CD2 4.25Å; F38-F65 HydrophobicContact CD2-CE2 4.16Å; F38-F65 HydrophobicContact CE2-CD2 4.35Å; F38-F65 HydrophobicContact CE2-CE2 4.07Å; F38-E69 HydrophobicContact CB-CG 4.2Å; F38-E69 HydrophobicContact CD1-CG 3.84Å; F38-E69 HydrophobicContact CD2-CG 3.71Å; F38-E69 HydrophobicContact CE1-CB 4.22Å; F38-E69 HydrophobicContact CE1-CG 4.02Å; F38-E69 HydrophobicContact CE2-CB 4.27Å; F38-E69 HydrophobicContact CE2-CG 3.88Å; F38-E69 HydrophobicContact CG-CG 3.69Å; F38-E69 HydrophobicContact CZ-CB 4.09Å; F38-E69 HydrophobicContact CZ-CG 4.04Å |
| 39 | R | 82.2 | Confident | 83.3 | Confident | 194 Ų | 194 | 71.8 Ų | 71.8 | 73% | 0.732 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -19.3 | 170.7 | -66.4 | 167.4 | 171.8 | 168.3 | -13.7 | 112.6 | R35 D36 S37 | R35-R39 PolarHBondContact O-N 3Å; D36-R39 WeakPolarHBondContact O-CB 3.35Å; D36-R39 PolarHBondContact O-N 3.28Å; D36-R39 IonicContact OD1-CZ 3.78Å; D36-R39 IonicContact OD1-NH1 3.46Å; D36-R39 PolarHBondContact OD1-NH1 2.96Å; S37-R39 VanDerWaalsContact C-N 3.29Å; S37-R39 PolarHBondContact O-N 3.47Å |
| 40 | E | 78.6 | Confident | 83.3 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -78.9 | 121.4 | 174.6 | -57.9 | -179.3 | 145.3 | 0 | 0 | 110.8 | M1 S37 F38 N42 | M1-E40 WeakPolarHBondContact CE-OE1 3.33Å; S37-E40 PolarHBondContact O-N 3.08Å; F38-E40 VanDerWaalsContact C-N 3.26Å; E40-N42 PolarHBondContact O-N 3.44Å |
| 41 | E | 64.9 | Low | 83.3 | Confident | 170 Ų | 170 | 65.2 Ų | 65.2 | 79% | 0.794 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -48.5 | -178.5 | -62.9 | -171.6 | 148.8 | 0 | 0 | 112.4 | N43 R46 | E41-N43 VanDerWaalsContact C-N 3.3Å; E41-N43 PolarHBondContact O-N 3.11Å; E41-R46 PolarHBondContact O-NH2 3.19Å |
| 42 | N | 65.2 | Low | 83.3 | Confident | 152 Ų | 152 | 65 Ų | 65 | 81% | 0.813 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 49.4 | -177.7 | -78.5 | -33.1 | 0 | 0 | 0 | 113.1 | E40 T44 | E40-N42 PolarHBondContact O-N 3.44Å; N42-T44 PolarHBondContact O-N 2.68Å |
| 43 | N | 67.8 | Low | 83.4 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | trans | -73.2 | 90.8 | 180 | -170.6 | -15 | 0 | 0 | 0 | 113 | S37 E41 Y45 R46 | S37-N43 VanDerWaalsContact C-ND2 3.3Å; S37-N43 PolarHBondContact O-ND2 3.18Å; S37-N43 PolarHBondContact OG-ND2 3.29Å; E41-N43 VanDerWaalsContact C-N 3.3Å; E41-N43 PolarHBondContact O-N 3.11Å; N43-Y45 PolarHBondContact O-N 2.74Å; N43-Y45 VanDerWaalsContact OD1-C 3.25Å; N43-Y45 VanDerWaalsContact OD1-CA 3.28Å; N43-Y45 WeakPolarHBondContact OD1-CA 3.44Å; N43-Y45 WeakPolarHBondContact OD1-CB 3.42Å; N43-Y45 PolarHBondContact OD1-N 3.02Å; N43-R46 HydrophobicContact CB-CB 4.18Å; N43-R46 VanDerWaalsContact O-CB 3.27Å; N43-R46 WeakPolarHBondContact O-CB 3.29Å; N43-R46 PolarHBondContact O-N 3.49Å; N43-R46 PolarHBondContact OD1-N 2.78Å | ||
| 44 | T | 74.7 | Confident | 83.5 | Confident | 123 Ų | 123 | 58.9 Ų | 58.9 | 76% | 0.755 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -22.8 | 171.7 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | N42 | N42-T44 PolarHBondContact O-N 2.68Š|
| 45 | Y | 81.8 | Confident | 83.7 | Confident | 79 Ų | 79 | 60.5 Ų | 60.5 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 6.1 | -179.2 | -57.2 | -66.8 | 0 | 0 | 0 | 114 | P4 N43 C47 R48 N49 | P4-Y45 HydrophobicContact CG-CD1 4.03Å; P4-Y45 HydrophobicContact CG-CD2 3.71Å; P4-Y45 HydrophobicContact CG-CE2 4.41Å; P4-Y45 HydrophobicContact CG-CG 3.47Å; P4-Y45 VanDerWaalsContact CG-CG 3.47Å; N43-Y45 PolarHBondContact O-N 2.74Å; N43-Y45 VanDerWaalsContact OD1-C 3.25Å; N43-Y45 VanDerWaalsContact OD1-CA 3.28Å; N43-Y45 WeakPolarHBondContact OD1-CA 3.44Å; N43-Y45 WeakPolarHBondContact OD1-CB 3.42Å; N43-Y45 PolarHBondContact OD1-N 3.02Å; Y45-C47 VanDerWaalsContact C-N 3.28Å; Y45-C47 PolarHBondContact O-N 2.77Å; Y45-R48 WeakPolarHBondContact O-CA 3.48Å; Y45-R48 WeakPolarHBondContact O-CB 3.36Å; Y45-R48 PolarHBondContact O-N 3.21Å; Y45-N49 PolarHBondContact O-N 3.29Å |
| 46 | R | 85.8 | Confident | 83.9 | Confident | 44 Ų | 44 | 55 Ų | 55 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -46.7 | -49.1 | -179.3 | -178 | -179 | -75.2 | 120.8 | 7.4 | 112.4 | F38 E41 N43 R48 N49 V50 E69 L73 | F38-R46 HydrophobicContact CE1-CG 4.42Å; E41-R46 PolarHBondContact O-NH2 3.19Å; N43-R46 HydrophobicContact CB-CB 4.18Å; N43-R46 VanDerWaalsContact O-CB 3.27Å; N43-R46 WeakPolarHBondContact O-CB 3.29Å; N43-R46 PolarHBondContact O-N 3.49Å; N43-R46 PolarHBondContact OD1-N 2.78Å; R46-R48 VanDerWaalsContact C-N 3.34Å; R46-R48 PolarHBondContact O-N 3.17Å; R46-N49 PolarHBondContact O-N 3.4Å; R46-V50 WeakPolarHBondContact O-CG2 3.36Å; R46-V50 PolarHBondContact O-N 3.08Å; R46-E69 WeakPolarHBondContact CD-OE2 3.44Å; R46-E69 IonicContact CZ-OE2 3.63Å; R46-E69 IonicContact NE-OE2 2.71Å; R46-E69 PolarHBondContact NE-OE2 3.49Å; R46-E69 IonicContact NH2-OE2 3.73Å; R46-L73 HydrophobicContact CB-CD2 4.29Å; R46-L73 HydrophobicContact CG-CD1 4.37Å; R46-L73 HydrophobicContact CG-CD2 3.87Å; R46-L73 HydrophobicContact CG-CG 4.03Å |
| 47 | C | 87.1 | Confident | 84.1 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.8 | -40.6 | 177.7 | -175.2 | 0 | 0 | 0 | 0 | 113.1 | Y45 A51 L73 D81 | Y45-C47 VanDerWaalsContact C-N 3.28Å; Y45-C47 PolarHBondContact O-N 2.77Å; C47-A51 WeakPolarHBondContact O-CB 3.41Å; C47-A51 PolarHBondContact O-N 2.92Å; C47-L73 HydrophobicContact CB-CD2 3.99Å; C47-D81 WeakPolarHBondContact CB-OD1 3.2Å |
| 48 | R | 88.7 | Confident | 84.3 | Confident | 119 Ų | 119 | 59.4 Ų | 59.4 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.5 | -38.3 | 175.9 | -61.8 | -175 | -176.9 | 168.6 | 1.3 | 112.4 | Y45 R46 A51 K52 | Y45-R48 WeakPolarHBondContact O-CA 3.48Å; Y45-R48 WeakPolarHBondContact O-CB 3.36Å; Y45-R48 PolarHBondContact O-N 3.21Å; R46-R48 VanDerWaalsContact C-N 3.34Å; R46-R48 PolarHBondContact O-N 3.17Å; R48-A51 PolarHBondContact O-N 3.1Å; R48-K52 WeakPolarHBondContact O-CG 3.38Å; R48-K52 PolarHBondContact O-N 2.91Å |
| 49 | N | 89.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 179.3 | -75 | -15.1 | 0 | 0 | 0 | 111.6 | I34 S37 F38 Y45 R46 K52 L53 | I34-N49 HydrophobicContact CG1-CB 4.29Å; I34-N49 HydrophobicContact CG2-CB 4.26Å; S37-N49 WeakPolarHBondContact CB-ND2 3.46Å; S37-N49 PolarHBondContact OG-ND2 3.46Å; F38-N49 HydrophobicContact CD1-CB 4.44Å; F38-N49 HydrophobicContact CE1-CB 3.58Å; F38-N49 HydrophobicContact CZ-CB 4Å; Y45-N49 PolarHBondContact O-N 3.29Å; R46-N49 PolarHBondContact O-N 3.4Å; N49-K52 PolarHBondContact O-N 3.19Å; N49-K52 VanDerWaalsContact OD1-CE 3.23Å; N49-K52 WeakPolarHBondContact OD1-CE 3.28Å; N49-K52 PolarHBondContact OD1-NZ 2.86Å; N49-L53 WeakPolarHBondContact O-CB 3.5Å; N49-L53 PolarHBondContact O-N 2.76Å |
| 50 | V | 90.1 | Very high | 85 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 170.6 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | F38 R46 K52 L53 L54 E69 L73 V84 | F38-V50 HydrophobicContact CE1-CG2 4.1Å; F38-V50 HydrophobicContact CZ-CG2 3.7Å; R46-V50 WeakPolarHBondContact O-CG2 3.36Å; R46-V50 PolarHBondContact O-N 3.08Å; V50-K52 VanDerWaalsContact C-N 3.3Å; V50-K52 PolarHBondContact O-N 3.13Å; V50-L53 CarbonylContact O-C 3.38Å; V50-L53 WeakPolarHBondContact O-CA 3.38Å; V50-L53 WeakPolarHBondContact O-CB 3.44Å; V50-L53 PolarHBondContact O-N 3.08Å; V50-L54 HydrophobicContact CG1-CD1 4.17Å; V50-L54 HydrophobicContact CG1-CG 4.18Å; V50-L54 WeakPolarHBondContact O-CG 3.36Å; V50-L54 PolarHBondContact O-N 2.82Å; V50-E69 HydrophobicContact CG2-CB 3.95Å; V50-L73 HydrophobicContact CB-CD1 3.72Å; V50-L73 HydrophobicContact CG1-CD1 4.02Å; V50-L73 HydrophobicContact CG2-CD1 3.61Å; V50-V84 HydrophobicContact CB-CG1 4.08Å; V50-V84 HydrophobicContact CG1-CG1 3.76Å |
| 51 | A | 90.6 | Very high | 85.6 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 21% | 0.207 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -37.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | L7 C47 R48 Y55 V84 | L7-A51 HydrophobicContact CD2-CB 4.49Å; C47-A51 WeakPolarHBondContact O-CB 3.41Å; C47-A51 PolarHBondContact O-N 2.92Å; R48-A51 PolarHBondContact O-N 3.1Å; A51-Y55 PolarHBondContact O-N 3.07Å; A51-V84 HydrophobicContact CB-CG1 4.38Å |
| 52 | K | 91.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 170.3 | -75.2 | -177.8 | -62.8 | -174.6 | 0 | 112.4 | K5 L7 L10 E30 I34 R48 N49 V50 L54 Y55 I56 | K5-K52 WeakPolarHBondContact O-CD 3.26Å; K5-K52 PolarHBondContact O-NZ 3.06Å; K5-K52 VanDerWaalsContact O-NZ 3.1Å; L7-K52 HydrophobicContact CB-CG 4.31Å; L7-K52 HydrophobicContact CD1-CG 4.16Å; L10-K52 HydrophobicContact CB-CD 4.45Å; L10-K52 HydrophobicContact CD2-CB 3.75Å; L10-K52 HydrophobicContact CD2-CD 4.02Å; L10-K52 HydrophobicContact CD2-CG 3.75Å; E30-K52 HydrophobicContact CG-CD 4.45Å; E30-K52 WeakPolarHBondContact OE1-CD 3.49Å; E30-K52 WeakPolarHBondContact OE1-CE 3.39Å; E30-K52 IonicContact OE1-NZ 2.67Å; E30-K52 PolarHBondContact OE1-NZ 3.43Å; I34-K52 HydrophobicContact CD1-CB 3.89Å; R48-K52 WeakPolarHBondContact O-CG 3.38Å; R48-K52 PolarHBondContact O-N 2.91Å; N49-K52 PolarHBondContact O-N 3.19Å; N49-K52 VanDerWaalsContact OD1-CE 3.23Å; N49-K52 WeakPolarHBondContact OD1-CE 3.28Å; N49-K52 PolarHBondContact OD1-NZ 2.86Å; V50-K52 VanDerWaalsContact C-N 3.3Å; V50-K52 PolarHBondContact O-N 3.13Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 3.23Å; K52-Y55 PolarHBondContact O-N 3.07Å; K52-I56 WeakPolarHBondContact O-CG1 3.35Å; K52-I56 PolarHBondContact O-N 3.43Å |
| 53 | L | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -35.8 | 179.5 | -173.8 | 56.2 | 0 | 0 | 0 | 112.5 | I34 F38 N49 V50 I56 H57 A63 F65 | I34-L53 HydrophobicContact CD1-CB 4.5Å; I34-L53 HydrophobicContact CG2-CD2 4.48Å; F38-L53 HydrophobicContact CE2-CD2 3.9Å; F38-L53 HydrophobicContact CZ-CD2 4.4Å; N49-L53 WeakPolarHBondContact O-CB 3.5Å; N49-L53 PolarHBondContact O-N 2.76Å; V50-L53 CarbonylContact O-C 3.38Å; V50-L53 WeakPolarHBondContact O-CA 3.38Å; V50-L53 WeakPolarHBondContact O-CB 3.44Å; V50-L53 PolarHBondContact O-N 3.08Å; L53-I56 PolarHBondContact O-N 3.06Å; L53-H57 WeakPolarHBondContact O-CB 3.36Å; L53-H57 PolarHBondContact O-N 3.01Å; L53-A63 HydrophobicContact CD1-CB 3.63Å; L53-A63 HydrophobicContact CG-CB 3.91Å; L53-F65 HydrophobicContact CD1-CE1 3.87Å; L53-F65 HydrophobicContact CD1-CE2 4.19Å; L53-F65 HydrophobicContact CD1-CZ 3.5Å; L53-F65 VanDerWaalsContact CD1-CZ 3.5Å; L53-F65 HydrophobicContact CD2-CD2 4.24Å; L53-F65 HydrophobicContact CD2-CE2 3.73Å; L53-F65 HydrophobicContact CD2-CZ 3.91Å; L53-F65 HydrophobicContact CG-CZ 4.38Å |
| 54 | L | 91.4 | Very high | 88.2 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 173 | -62 | 179.6 | 0 | 0 | 0 | 112.5 | V50 K52 H57 M58 L87 L91 L92 | V50-L54 HydrophobicContact CG1-CD1 4.17Å; V50-L54 HydrophobicContact CG1-CG 4.18Å; V50-L54 WeakPolarHBondContact O-CG 3.36Å; V50-L54 PolarHBondContact O-N 2.82Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 3.23Å; L54-H57 WeakPolarHBondContact O-CB 3.39Å; L54-H57 PolarHBondContact O-N 3.28Å; L54-M58 WeakPolarHBondContact O-CE 3.48Å; L54-M58 WeakPolarHBondContact O-CG 3.24Å; L54-M58 PolarHBondContact O-N 3.19Å; L54-L87 HydrophobicContact CD1-CB 4.45Å; L54-L87 HydrophobicContact CD1-CD2 4.36Å; L54-L87 HydrophobicContact CD1-CG 4.14Å; L54-L91 HydrophobicContact CB-CD1 4.5Å; L54-L91 HydrophobicContact CD2-CB 4.38Å; L54-L91 HydrophobicContact CD2-CD1 4.29Å; L54-L92 HydrophobicContact CD2-CD1 3.64Å; L54-L92 HydrophobicContact CD2-CD2 4.24Å; L54-L92 HydrophobicContact CD2-CG 3.69Å |
| 55 | Y | 92.1 | Very high | 88.7 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 14% | 0.137 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 172.3 | -179 | -106.4 | 0 | 0 | 0 | 112 | L7 V11 I14 A51 K52 H57 M58 L59 | L7-Y55 HydrophobicContact CD1-CD1 4.36Å; L7-Y55 HydrophobicContact CD1-CG 4.05Å; V11-Y55 HydrophobicContact CB-CE1 4.33Å; V11-Y55 HydrophobicContact CG2-CD1 3.9Å; V11-Y55 HydrophobicContact CG2-CD2 4.28Å; V11-Y55 HydrophobicContact CG2-CE1 3.62Å; V11-Y55 HydrophobicContact CG2-CE2 4.05Å; V11-Y55 HydrophobicContact CG2-CG 4.22Å; I14-Y55 HydrophobicContact CD1-CD1 4.37Å; I14-Y55 HydrophobicContact CD1-CE1 3.98Å; A51-Y55 PolarHBondContact O-N 3.07Å; K52-Y55 PolarHBondContact O-N 3.07Å; Y55-H57 VanDerWaalsContact C-N 3.27Å; Y55-H57 PolarHBondContact O-N 3.28Å; Y55-M58 PolarHBondContact O-N 2.99Å; Y55-L59 HydrophobicContact CD1-CD1 4.22Å; Y55-L59 HydrophobicContact CE1-CD1 3.68Å; Y55-L59 HydrophobicContact CE1-CG 4.35Å; Y55-L59 PolarHBondContact O-N 3.28Å |
| 56 | I | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.6 | -40.4 | 173.1 | -71 | 169.3 | 0 | 0 | 0 | 110.8 | L10 V27 E30 I34 K52 L53 L59 Y61 | L10-I56 HydrophobicContact CD2-CD1 4.02Å; L10-I56 HydrophobicContact CD2-CG1 4.13Å; V27-I56 HydrophobicContact CG1-CD1 4.45Å; V27-I56 HydrophobicContact CG1-CG1 4.37Å; V27-I56 HydrophobicContact CG1-CG2 3.65Å; E30-I56 HydrophobicContact CG-CD1 4.47Å; I34-I56 HydrophobicContact CD1-CD1 4.3Å; K52-I56 WeakPolarHBondContact O-CG1 3.35Å; K52-I56 PolarHBondContact O-N 3.43Å; L53-I56 PolarHBondContact O-N 3.06Å; I56-L59 PolarHBondContact O-N 2.89Å; I56-Y61 HydrophobicContact CG2-CD2 4.37Å; I56-Y61 HydrophobicContact CG2-CG 4.27Å; I56-Y61 WeakPolarHBondContact O-CB 3.28Å; I56-Y61 PolarHBondContact O-N 3.22Å |
| 57 | H | 90.9 | Very high | 88.9 | Confident | 51 Ų | 51 | 41 Ų | 41 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 175.3 | -173.3 | 49.8 | 0 | 0 | 0 | 113.2 | L53 L54 Y55 L59 G60 Y61 A63 L91 L92 | L53-H57 WeakPolarHBondContact O-CB 3.36Å; L53-H57 PolarHBondContact O-N 3.01Å; L54-H57 WeakPolarHBondContact O-CB 3.39Å; L54-H57 PolarHBondContact O-N 3.28Å; Y55-H57 VanDerWaalsContact C-N 3.27Å; Y55-H57 PolarHBondContact O-N 3.28Å; H57-L59 PolarHBondContact O-N 3.48Å; H57-G60 WeakPolarHBondContact O-CA 3.46Å; H57-G60 PolarHBondContact O-N 3.25Å; H57-Y61 PolarHBondContact ND1-O 3.2Å; H57-A63 HydrophobicContact CB-CB 3.61Å; H57-L91 PolarHBondContact NE2-O 2.87Å; H57-L92 HydrophobicContact CB-CD2 3.99Å |
| 58 | M | 90.9 | Very high | 88.8 | Confident | 116 Ų | 116 | 44.2 Ų | 44.2 | 57% | 0.571 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65 | -17.4 | 177.3 | -73.1 | -176.3 | -70.6 | 0 | 0 | 113.5 | L54 Y55 G60 | L54-M58 WeakPolarHBondContact O-CE 3.48Å; L54-M58 WeakPolarHBondContact O-CG 3.24Å; L54-M58 PolarHBondContact O-N 3.19Å; Y55-M58 PolarHBondContact O-N 2.99Å; M58-G60 VanDerWaalsContact C-N 3.31Å |
| 59 | L | 91 | Very high | 88.7 | Confident | 68 Ų | 68 | 39 Ų | 39 | 36% | 0.356 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -0 | 169 | -66.3 | 174.9 | 0 | 0 | 0 | 113.6 | I14 Y55 I56 H57 Y61 | I14-L59 HydrophobicContact CD1-CD1 3.97Å; I14-L59 HydrophobicContact CG2-CD1 3.87Å; Y55-L59 HydrophobicContact CD1-CD1 4.22Å; Y55-L59 HydrophobicContact CE1-CD1 3.68Å; Y55-L59 HydrophobicContact CE1-CG 4.35Å; Y55-L59 PolarHBondContact O-N 3.28Å; I56-L59 PolarHBondContact O-N 2.89Å; H57-L59 PolarHBondContact O-N 3.48Å; L59-Y61 HydrophobicContact CB-CD2 3.8Å; L59-Y61 HydrophobicContact CB-CE2 3.97Å |
| 60 | G | 90.4 | Very high | 88.7 | Confident | 67 Ų | 67 | 39 Ų | 39 | 69% | 0.691 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.9 | 6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | H57 M58 | H57-G60 WeakPolarHBondContact O-CA 3.46Å; H57-G60 PolarHBondContact O-N 3.25Å; M58-G60 VanDerWaalsContact C-N 3.31Å |
| 61 | Y | 90.6 | Very high | 88.5 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | trans | -86.1 | 149.3 | -179.8 | -66 | -80.8 | 0 | 0 | 0 | 113 | E23 R24 V27 I56 H57 L59 A63 | E23-Y61 VanDerWaalsContact OE1-CE2 3.24Å; E23-Y61 WeakPolarHBondContact OE1-CE2 3.37Å; E23-Y61 PolarHBondContact OE1-OH 3.45Å; R24-Y61 HydrophobicContact CG-CE1 3.93Å; V27-Y61 HydrophobicContact CG1-CD1 4Å; V27-Y61 HydrophobicContact CG1-CD2 3.99Å; V27-Y61 HydrophobicContact CG1-CE1 4.37Å; V27-Y61 HydrophobicContact CG1-CE2 4.36Å; V27-Y61 HydrophobicContact CG1-CG 3.8Å; V27-Y61 HydrophobicContact CG2-CD2 4.21Å; V27-Y61 HydrophobicContact CG2-CE2 3.93Å; I56-Y61 HydrophobicContact CG2-CD2 4.37Å; I56-Y61 HydrophobicContact CG2-CG 4.27Å; I56-Y61 WeakPolarHBondContact O-CB 3.28Å; I56-Y61 PolarHBondContact O-N 3.22Å; H57-Y61 PolarHBondContact ND1-O 3.2Å; L59-Y61 HydrophobicContact CB-CD2 3.8Å; L59-Y61 HydrophobicContact CB-CE2 3.97Å; Y61-A63 PolarHBondContact O-N 3.37Å | ||
| 62 | P | 86.4 | Confident | 88.4 | Confident | 97 Ų | 97 | 42.6 Ų | 42.6 | 63% | 0.63 | 23% | 0.226 | S | C | * | . | trans | -69.7 | 118.2 | -177.4 | 27.2 | -34.6 | 0 | 0 | 0 | 112.1 | ||||
| 63 | A | 85.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -122.7 | 5.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | L53 H57 Y61 F65 G66 L92 | L53-A63 HydrophobicContact CD1-CB 3.63Å; L53-A63 HydrophobicContact CG-CB 3.91Å; H57-A63 HydrophobicContact CB-CB 3.61Å; Y61-A63 PolarHBondContact O-N 3.37Å; A63-F65 PolarHBondContact O-N 3.4Å; A63-G66 PolarHBondContact O-N 3.03Å; A63-L92 HydrophobicContact CB-CD2 3.72Å | ||
| 64 | H | 81.1 | Confident | 88.3 | Confident | 109 Ų | 109 | 42.8 Ų | 42.8 | 51% | 0.505 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -57 | -26.4 | -171.1 | -56.9 | -73.6 | 0 | 0 | 0 | 114.7 | G66 Q67 | H64-G66 PolarHBondContact O-N 3.34Å; H64-Q67 WeakPolarHBondContact O-CB 3.28Å; H64-Q67 WeakPolarHBondContact O-CG 3.33Å; H64-Q67 PolarHBondContact O-N 2.94Å |
| 65 | F | 86.4 | Confident | 88.2 | Confident | 70 Ų | 70 | 46.2 Ų | 46.2 | 31% | 0.307 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -62 | -13.1 | 174.8 | 70.3 | -94 | 0 | 0 | 0 | 113.7 | C31 I34 R35 F38 L53 A63 | C31-F65 HydrophobicContact CB-CZ 4.47Å; I34-F65 HydrophobicContact CG2-CE2 3.98Å; I34-F65 HydrophobicContact CG2-CZ 4.44Å; R35-F65 HydrophobicContact CG-CD2 3.6Å; R35-F65 HydrophobicContact CG-CE1 4.39Å; R35-F65 HydrophobicContact CG-CE2 3.37Å; R35-F65 HydrophobicContact CG-CG 4.21Å; R35-F65 HydrophobicContact CG-CZ 3.8Å; F38-F65 HydrophobicContact CD2-CD2 4.25Å; F38-F65 HydrophobicContact CD2-CE2 4.16Å; F38-F65 HydrophobicContact CE2-CD2 4.35Å; F38-F65 HydrophobicContact CE2-CE2 4.07Å; L53-F65 HydrophobicContact CD1-CE1 3.87Å; L53-F65 HydrophobicContact CD1-CE2 4.19Å; L53-F65 HydrophobicContact CD1-CZ 3.5Å; L53-F65 VanDerWaalsContact CD1-CZ 3.5Å; L53-F65 HydrophobicContact CD2-CD2 4.24Å; L53-F65 HydrophobicContact CD2-CE2 3.73Å; L53-F65 HydrophobicContact CD2-CZ 3.91Å; L53-F65 HydrophobicContact CG-CZ 4.38Å; A63-F65 PolarHBondContact O-N 3.4Å |
| 66 | G | 85.3 | Confident | 88 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -82.1 | -8.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | A63 H64 L68 E69 C70 | A63-G66 PolarHBondContact O-N 3.03Å; H64-G66 PolarHBondContact O-N 3.34Å; G66-L68 PolarHBondContact O-N 2.94Å; G66-E69 PolarHBondContact O-N 3.34Å; G66-E69 VanDerWaalsContact O-N 3.16Å; G66-C70 PolarHBondContact O-N 3.37Å; G66-C70 PolarHBondContact O-SG 2.95Å |
| 67 | Q | 86.5 | Confident | 87.8 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.5 | -49.3 | -174.6 | -74.2 | 171.4 | -15 | 0 | 0 | 112.6 | H64 E69 C70 L71 L92 L93 V99 | H64-Q67 WeakPolarHBondContact O-CB 3.28Å; H64-Q67 WeakPolarHBondContact O-CG 3.33Å; H64-Q67 PolarHBondContact O-N 2.94Å; Q67-E69 VanDerWaalsContact C-N 3.33Å; Q67-E69 PolarHBondContact O-N 3.28Å; Q67-C70 WeakPolarHBondContact O-CB 3.39Å; Q67-C70 PolarHBondContact O-N 3.03Å; Q67-L71 PolarHBondContact O-N 2.68Å; Q67-L92 HydrophobicContact CG-CB 4.05Å; Q67-L92 WeakPolarHBondContact CG-O 3.41Å; Q67-L92 PolarHBondContact NE2-O 3.35Å; Q67-L93 HydrophobicContact CB-CD2 3.92Å; Q67-L93 HydrophobicContact CG-CD2 3.9Å; Q67-V99 HydrophobicContact CB-CG1 4.39Å |
| 68 | L | 84.2 | Confident | 87.7 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 179.2 | -176.7 | 63.2 | 0 | 0 | 0 | 112.6 | G66 C70 L71 K72 | G66-L68 PolarHBondContact O-N 2.94Å; L68-C70 VanDerWaalsContact C-N 3.33Å; L68-L71 WeakPolarHBondContact O-CB 3.46Å; L68-L71 PolarHBondContact O-N 3.41Å; L68-K72 PolarHBondContact O-N 3.16Å |
| 69 | E | 86.9 | Confident | 87.7 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.8 | -29.7 | 177.3 | -61.4 | -57.1 | 119.1 | 0 | 0 | 112.1 | F38 R46 V50 G66 Q67 K72 L73 | F38-E69 HydrophobicContact CB-CG 4.2Å; F38-E69 HydrophobicContact CD1-CG 3.84Å; F38-E69 HydrophobicContact CD2-CG 3.71Å; F38-E69 HydrophobicContact CE1-CB 4.22Å; F38-E69 HydrophobicContact CE1-CG 4.02Å; F38-E69 HydrophobicContact CE2-CB 4.27Å; F38-E69 HydrophobicContact CE2-CG 3.88Å; F38-E69 HydrophobicContact CG-CG 3.69Å; F38-E69 HydrophobicContact CZ-CB 4.09Å; F38-E69 HydrophobicContact CZ-CG 4.04Å; R46-E69 WeakPolarHBondContact CD-OE2 3.44Å; R46-E69 IonicContact CZ-OE2 3.63Å; R46-E69 IonicContact NE-OE2 2.71Å; R46-E69 PolarHBondContact NE-OE2 3.49Å; R46-E69 IonicContact NH2-OE2 3.73Å; V50-E69 HydrophobicContact CG2-CB 3.95Å; G66-E69 PolarHBondContact O-N 3.34Å; G66-E69 VanDerWaalsContact O-N 3.16Å; Q67-E69 VanDerWaalsContact C-N 3.33Å; Q67-E69 PolarHBondContact O-N 3.28Å; E69-K72 PolarHBondContact O-N 2.68Å; E69-K72 WeakPolarHBondContact OE1-CD 3.48Å; E69-K72 WeakPolarHBondContact OE1-CE 2.79Å; E69-K72 IonicContact OE1-NZ 3.89Å; E69-K72 PolarHBondContact OE1-NZ 2.88Å; E69-K72 IonicContact OE2-NZ 2.73Å; E69-L73 WeakPolarHBondContact O-CG 3.5Å; E69-L73 PolarHBondContact O-N 2.85Å |
| 70 | C | 89.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 169.3 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | G66 Q67 L68 L73 V74 G85 | G66-C70 PolarHBondContact O-N 3.37Å; G66-C70 PolarHBondContact O-SG 2.95Å; Q67-C70 WeakPolarHBondContact O-CB 3.39Å; Q67-C70 PolarHBondContact O-N 3.03Å; L68-C70 VanDerWaalsContact C-N 3.33Å; C70-L73 WeakPolarHBondContact O-CB 3.48Å; C70-L73 PolarHBondContact O-N 3.3Å; C70-V74 WeakPolarHBondContact O-CG2 3.11Å; C70-V74 PolarHBondContact O-N 3.38Å; C70-G85 WeakPolarHBondContact O-CA 3.33Å |
| 71 | L | 86.6 | Confident | 87.8 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 174.9 | -60.8 | -159.2 | 0 | 0 | 0 | 112.7 | Q67 L68 L73 V74 A75 L93 V99 L102 V103 | Q67-L71 PolarHBondContact O-N 2.68Å; L68-L71 WeakPolarHBondContact O-CB 3.46Å; L68-L71 PolarHBondContact O-N 3.41Å; L71-L73 PolarHBondContact O-N 3.22Å; L71-V74 PolarHBondContact O-N 3.08Å; L71-V74 VanDerWaalsContact O-N 3.1Å; L71-A75 PolarHBondContact O-N 3.05Å; L71-L93 HydrophobicContact CD2-CD1 4.31Å; L71-V99 HydrophobicContact CD1-CG1 3.46Å; L71-V99 VanDerWaalsContact CD1-CG1 3.46Å; L71-V99 HydrophobicContact CD2-CG1 4.22Å; L71-V99 HydrophobicContact CG-CG1 3.81Å; L71-L102 HydrophobicContact CD1-CB 3.95Å; L71-L102 HydrophobicContact CD1-CD2 3.72Å; L71-L102 HydrophobicContact CD1-CG 3.95Å; L71-V103 HydrophobicContact CD2-CG2 3.39Å |
| 72 | K | 87.8 | Confident | 87.9 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.1 | -33.8 | 175.3 | -69.8 | 175.4 | -174.5 | 168.6 | 0 | 112.1 | L68 E69 S76 | L68-K72 PolarHBondContact O-N 3.16Å; E69-K72 PolarHBondContact O-N 2.68Å; E69-K72 WeakPolarHBondContact OE1-CD 3.48Å; E69-K72 WeakPolarHBondContact OE1-CE 2.79Å; E69-K72 IonicContact OE1-NZ 3.89Å; E69-K72 PolarHBondContact OE1-NZ 2.88Å; E69-K72 IonicContact OE2-NZ 2.73Å; K72-S76 PolarHBondContact O-N 3.36Å |
| 73 | L | 89.5 | Confident | 88.3 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.6 | -35.9 | 174 | -70.5 | 176.7 | 0 | 0 | 0 | 112.9 | R46 C47 V50 E69 C70 L71 A75 S76 D81 K82 V84 | R46-L73 HydrophobicContact CB-CD2 4.29Å; R46-L73 HydrophobicContact CG-CD1 4.37Å; R46-L73 HydrophobicContact CG-CD2 3.87Å; R46-L73 HydrophobicContact CG-CG 4.03Å; C47-L73 HydrophobicContact CB-CD2 3.99Å; V50-L73 HydrophobicContact CB-CD1 3.72Å; V50-L73 HydrophobicContact CG1-CD1 4.02Å; V50-L73 HydrophobicContact CG2-CD1 3.61Å; E69-L73 WeakPolarHBondContact O-CG 3.5Å; E69-L73 PolarHBondContact O-N 2.85Å; C70-L73 WeakPolarHBondContact O-CB 3.48Å; C70-L73 PolarHBondContact O-N 3.3Å; L71-L73 PolarHBondContact O-N 3.22Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-S76 VanDerWaalsContact O-CB 3.28Å; L73-S76 WeakPolarHBondContact O-CB 3.39Å; L73-S76 PolarHBondContact O-N 3.28Å; L73-D81 HydrophobicContact CB-CB 4.43Å; L73-D81 HydrophobicContact CD2-CB 3.79Å; L73-D81 CarbonylContact O-C 3.6Å; L73-K82 PolarHBondContact O-N 3.34Å; L73-V84 HydrophobicContact CD1-CB 4.5Å; L73-V84 HydrophobicContact CD1-CG1 4.09Å |
| 74 | V | 90.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 171.3 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | C70 L71 S76 K82 G85 Y86 | C70-V74 WeakPolarHBondContact O-CG2 3.11Å; C70-V74 PolarHBondContact O-N 3.38Å; L71-V74 PolarHBondContact O-N 3.08Å; L71-V74 VanDerWaalsContact O-N 3.1Å; V74-S76 VanDerWaalsContact C-N 3.27Å; V74-S76 PolarHBondContact O-N 2.98Å; V74-K82 PolarHBondContact O-NZ 3.16Å; V74-G85 VanDerWaalsContact CG2-C 3.45Å; V74-Y86 HydrophobicContact CG1-CD1 4.34Å; V74-Y86 HydrophobicContact CG1-CE1 3.68Å; V74-Y86 HydrophobicContact CG1-CE2 4.1Å; V74-Y86 HydrophobicContact CG2-CD1 3.8Å; V74-Y86 HydrophobicContact CG2-CD2 4.4Å; V74-Y86 HydrophobicContact CG2-CE1 3.99Å; V74-Y86 HydrophobicContact CG2-CG 4.02Å |
| 75 | A | 88.8 | Confident | 89.2 | Confident | 76 Ų | 76 | 49.7 Ų | 49.7 | 63% | 0.628 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L71 L73 | L71-A75 PolarHBondContact O-N 3.05Å; L73-A75 VanDerWaalsContact C-N 3.31Å |
| 76 | S | 88.7 | Confident | 89.6 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -66.1 | 141.3 | 178.1 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | K72 L73 V74 R78 D81 K82 | K72-S76 PolarHBondContact O-N 3.36Å; L73-S76 VanDerWaalsContact O-CB 3.28Å; L73-S76 WeakPolarHBondContact O-CB 3.39Å; L73-S76 PolarHBondContact O-N 3.28Å; V74-S76 VanDerWaalsContact C-N 3.27Å; V74-S76 PolarHBondContact O-N 2.98Å; S76-R78 PolarHBondContact O-N 3.15Å; S76-R78 PolarHBondContact OG-N 3.31Å; S76-D81 WeakPolarHBondContact OG-CB 3.4Å; S76-D81 PolarHBondContact OG-OD2 3.35Å; S76-K82 WeakPolarHBondContact O-CE 3.34Å; S76-K82 VanDerWaalsContact O-CG 3.26Å; S76-K82 WeakPolarHBondContact O-CG 3.24Å |
| 77 | P | 87.2 | Confident | 89.9 | Confident | 122 Ų | 122 | 49.4 Ų | 49.4 | 79% | 0.792 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -71 | -12 | 173 | 30 | -35.9 | 0 | 0 | 0 | 113.1 | ||
| 78 | R | 89.9 | Confident | 90.1 | Very high | 169 Ų | 169 | 48 Ų | 48 | 64% | 0.638 | 25% | 0.249 | S | C | * | . | trans | -82.4 | 124.9 | -176.8 | -63.5 | 179.7 | 175.1 | -176.8 | -0.6 | 111 | S76 T80 D81 K82 | S76-R78 PolarHBondContact O-N 3.15Å; S76-R78 PolarHBondContact OG-N 3.31Å; R78-T80 VanDerWaalsContact C-N 3.26Å; R78-T80 PolarHBondContact O-N 3.34Å; R78-D81 HydrophobicContact CB-CB 4.16Å; R78-D81 WeakPolarHBondContact O-CB 3.45Å; R78-D81 PolarHBondContact O-N 2.94Å; R78-K82 PolarHBondContact O-N 3Å | ||
| 79 | F | 90.8 | Very high | 90.3 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 39% | 0.386 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.2 | -37.1 | 178.1 | 177.9 | -102.5 | 0 | 0 | 0 | 113.8 | D81 R83 V118 L121 | F79-D81 VanDerWaalsContact C-N 3.3Å; F79-D81 PolarHBondContact O-N 3.29Å; F79-R83 WeakPolarHBondContact O-CB 3.48Å; F79-R83 PolarHBondContact O-N 2.83Å; F79-V118 HydrophobicContact CD2-CG2 3.97Å; F79-L121 HydrophobicContact CD2-CD1 3.98Å; F79-L121 HydrophobicContact CE2-CD1 3.42Å; F79-L121 VanDerWaalsContact CE2-CD1 3.42Å; F79-L121 HydrophobicContact CE2-CG 4.11Å; F79-L121 HydrophobicContact CZ-CD1 4.05Å |
| 80 | T | 90.5 | Very high | 90.4 | Very high | 86 Ų | 86 | 45.6 Ų | 45.6 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -39 | 176.4 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | R78 V84 | R78-T80 VanDerWaalsContact C-N 3.26Å; R78-T80 PolarHBondContact O-N 3.34Å; T80-V84 PolarHBondContact O-N 3.46Å |
| 81 | D | 91.9 | Very high | 90.4 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.8 | -48.6 | -179.5 | -62.2 | -7.1 | 0 | 0 | 0 | 109 | C47 L73 S76 R78 F79 R83 V84 G85 | C47-D81 WeakPolarHBondContact CB-OD1 3.2Å; L73-D81 HydrophobicContact CB-CB 4.43Å; L73-D81 HydrophobicContact CD2-CB 3.79Å; L73-D81 CarbonylContact O-C 3.6Å; S76-D81 WeakPolarHBondContact OG-CB 3.4Å; S76-D81 PolarHBondContact OG-OD2 3.35Å; R78-D81 HydrophobicContact CB-CB 4.16Å; R78-D81 WeakPolarHBondContact O-CB 3.45Å; R78-D81 PolarHBondContact O-N 2.94Å; F79-D81 VanDerWaalsContact C-N 3.3Å; F79-D81 PolarHBondContact O-N 3.29Å; D81-R83 VanDerWaalsContact C-N 3.29Å; D81-R83 PolarHBondContact O-N 2.98Å; D81-V84 PolarHBondContact O-N 2.94Å; D81-V84 VanDerWaalsContact O-N 3.13Å; D81-G85 PolarHBondContact O-N 3.35Å |
| 82 | K | 93.5 | Very high | 90.4 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 7% | 0.07 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -52.8 | -45.2 | 172.5 | -71.5 | -172.3 | 173.5 | -70.4 | 0 | 112.1 | L73 V74 S76 R78 V84 G85 Y86 D110 V118 L121 | L73-K82 PolarHBondContact O-N 3.34Å; V74-K82 PolarHBondContact O-NZ 3.16Å; S76-K82 WeakPolarHBondContact O-CE 3.34Å; S76-K82 VanDerWaalsContact O-CG 3.26Å; S76-K82 WeakPolarHBondContact O-CG 3.24Å; R78-K82 PolarHBondContact O-N 3Å; K82-V84 PolarHBondContact O-N 3.12Å; K82-G85 PolarHBondContact O-N 3.41Å; K82-Y86 HydrophobicContact CB-CD2 4.33Å; K82-Y86 HydrophobicContact CB-CE2 4.49Å; K82-Y86 VanDerWaalsContact O-CB 3.29Å; K82-Y86 WeakPolarHBondContact O-CB 3.41Å; K82-Y86 VanDerWaalsContact O-CD2 3.28Å; K82-Y86 WeakPolarHBondContact O-CD2 3.35Å; K82-Y86 PolarHBondContact O-N 2.99Å; K82-D110 WeakPolarHBondContact CE-OD1 3.43Å; K82-D110 IonicContact NZ-OD1 2.64Å; K82-D110 PolarHBondContact NZ-OD1 3.04Å; K82-D110 IonicContact NZ-OD2 2.73Å; K82-D110 PolarHBondContact NZ-OD2 3.39Å; K82-V118 HydrophobicContact CD-CG1 3.96Å; K82-V118 HydrophobicContact CD-CG2 4.31Å; K82-L121 HydrophobicContact CB-CD1 4.28Å |
| 83 | R | 94.6 | Very high | 90.1 | Very high | 108 Ų | 108 | 45.2 Ų | 45.2 | 41% | 0.408 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 177.7 | 176.4 | -179.4 | 164.6 | -172 | -4.5 | 112.1 | F79 D81 L87 L121 | F79-R83 WeakPolarHBondContact O-CB 3.48Å; F79-R83 PolarHBondContact O-N 2.83Å; D81-R83 VanDerWaalsContact C-N 3.29Å; D81-R83 PolarHBondContact O-N 2.98Å; R83-L87 WeakPolarHBondContact O-CB 3.16Å; R83-L87 PolarHBondContact O-N 3.41Å; R83-L87 VanDerWaalsContact O-N 3.08Å; R83-L121 HydrophobicContact CB-CD1 4.02Å; R83-L121 HydrophobicContact CB-CD2 4.38Å; R83-L121 HydrophobicContact CG-CD2 4.36Å |
| 84 | V | 92.6 | Very high | 89.4 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74.6 | -38.2 | 179.8 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | V50 A51 L73 T80 D81 K82 L87 G88 | V50-V84 HydrophobicContact CB-CG1 4.08Å; V50-V84 HydrophobicContact CG1-CG1 3.76Å; A51-V84 HydrophobicContact CB-CG1 4.38Å; L73-V84 HydrophobicContact CD1-CB 4.5Å; L73-V84 HydrophobicContact CD1-CG1 4.09Å; T80-V84 PolarHBondContact O-N 3.46Å; D81-V84 PolarHBondContact O-N 2.94Å; D81-V84 VanDerWaalsContact O-N 3.13Å; K82-V84 PolarHBondContact O-N 3.12Å; V84-L87 PolarHBondContact O-N 3.22Å; V84-G88 PolarHBondContact O-N 2.7Å |
| 85 | G | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C70 V74 D81 K82 G88 A89 | C70-G85 WeakPolarHBondContact O-CA 3.33Å; V74-G85 VanDerWaalsContact CG2-C 3.45Å; D81-G85 PolarHBondContact O-N 3.35Å; K82-G85 PolarHBondContact O-N 3.41Å; G85-G88 CarbonylContact O-C 3.58Å; G85-G88 PolarHBondContact O-N 2.85Å; G85-A89 WeakPolarHBondContact O-CB 3.4Å; G85-A89 PolarHBondContact O-N 3.23Å |
| 86 | Y | 93.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 176.3 | -83.4 | -51.6 | 0 | 0 | 0 | 113.2 | V74 K82 G88 A89 M90 S106 L107 D110 L121 T125 | V74-Y86 HydrophobicContact CG1-CD1 4.34Å; V74-Y86 HydrophobicContact CG1-CE1 3.68Å; V74-Y86 HydrophobicContact CG1-CE2 4.1Å; V74-Y86 HydrophobicContact CG2-CD1 3.8Å; V74-Y86 HydrophobicContact CG2-CD2 4.4Å; V74-Y86 HydrophobicContact CG2-CE1 3.99Å; V74-Y86 HydrophobicContact CG2-CG 4.02Å; K82-Y86 HydrophobicContact CB-CD2 4.33Å; K82-Y86 HydrophobicContact CB-CE2 4.49Å; K82-Y86 VanDerWaalsContact O-CB 3.29Å; K82-Y86 WeakPolarHBondContact O-CB 3.41Å; K82-Y86 VanDerWaalsContact O-CD2 3.28Å; K82-Y86 WeakPolarHBondContact O-CD2 3.35Å; K82-Y86 PolarHBondContact O-N 2.99Å; Y86-G88 VanDerWaalsContact C-N 3.31Å; Y86-G88 PolarHBondContact O-N 3Å; Y86-A89 WeakPolarHBondContact O-CB 3.39Å; Y86-A89 PolarHBondContact O-N 2.96Å; Y86-M90 WeakPolarHBondContact O-CG 3.28Å; Y86-M90 PolarHBondContact O-N 3.22Å; Y86-S106 PolarHBondContact OH-O 3.05Å; Y86-L107 HydrophobicContact CD1-CD2 4.39Å; Y86-L107 HydrophobicContact CE1-CD2 3.5Å; Y86-L107 VanDerWaalsContact CE1-CD2 3.5Å; Y86-L107 HydrophobicContact CE1-CG 4.22Å; Y86-D110 HydrophobicContact CE2-CB 4.49Å; Y86-D110 WeakPolarHBondContact CE2-OD2 3.4Å; Y86-D110 WeakPolarHBondContact OH-CB 3.42Å; Y86-D110 PolarHBondContact OH-OD2 3.07Å; Y86-L121 HydrophobicContact CD2-CB 3.68Å; Y86-L121 HydrophobicContact CD2-CD1 4.32Å; Y86-L121 HydrophobicContact CE2-CB 4.19Å; Y86-L121 HydrophobicContact CG-CB 4.4Å; Y86-T125 WeakPolarHBondContact CB-OG1 3.2Å; Y86-T125 HydrophobicContact CD1-CG2 3.85Å; Y86-T125 WeakPolarHBondContact CD1-OG1 3.17Å; Y86-T125 HydrophobicContact CE1-CG2 4.4Å |
| 87 | L | 92.4 | Very high | 86.8 | Confident | 64 Ų | 64 | 61 Ų | 61 | 34% | 0.335 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 170.9 | -178.9 | 61.2 | 0 | 0 | 0 | 111.2 | L54 R83 V84 M90 L91 | L54-L87 HydrophobicContact CD1-CB 4.45Å; L54-L87 HydrophobicContact CD1-CD2 4.36Å; L54-L87 HydrophobicContact CD1-CG 4.14Å; R83-L87 WeakPolarHBondContact O-CB 3.16Å; R83-L87 PolarHBondContact O-N 3.41Å; R83-L87 VanDerWaalsContact O-N 3.08Å; V84-L87 PolarHBondContact O-N 3.22Å; L87-M90 HydrophobicContact CD1-CE 4.14Å; L87-M90 PolarHBondContact O-N 3.3Å; L87-L91 HydrophobicContact CD1-CD1 4.18Å; L87-L91 HydrophobicContact CG-CD1 4.25Å; L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.09Å |
| 88 | G | 89.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.5 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V84 G85 Y86 L91 L92 | V84-G88 PolarHBondContact O-N 2.7Å; G85-G88 CarbonylContact O-C 3.58Å; G85-G88 PolarHBondContact O-N 2.85Å; Y86-G88 VanDerWaalsContact C-N 3.31Å; Y86-G88 PolarHBondContact O-N 3Å; G88-L91 PolarHBondContact O-N 3.48Å; G88-L92 WeakPolarHBondContact O-CB 3.49Å; G88-L92 PolarHBondContact O-N 3.46Å |
| 89 | A | 88.9 | Confident | 85 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G85 Y86 L91 L93 T125 | G85-A89 WeakPolarHBondContact O-CB 3.4Å; G85-A89 PolarHBondContact O-N 3.23Å; Y86-A89 WeakPolarHBondContact O-CB 3.39Å; Y86-A89 PolarHBondContact O-N 2.96Å; A89-L91 VanDerWaalsContact C-N 3.28Å; A89-L91 PolarHBondContact O-N 3.16Å; A89-L93 HydrophobicContact CB-CD1 3.66Å; A89-L93 HydrophobicContact CB-CG 4.43Å; A89-L93 WeakPolarHBondContact O-CB 3.37Å; A89-L93 WeakPolarHBondContact O-CG 3.5Å; A89-L93 PolarHBondContact O-N 2.77Å; A89-T125 HydrophobicContact CB-CG2 4.4Å |
| 90 | M | 89.9 | Confident | 84.2 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.2 | -21.5 | 177.8 | -69.7 | -176.8 | -65.3 | 0 | 0 | 114.6 | Y86 L87 T125 I129 | Y86-M90 WeakPolarHBondContact O-CG 3.28Å; Y86-M90 PolarHBondContact O-N 3.22Å; L87-M90 HydrophobicContact CD1-CE 4.14Å; L87-M90 PolarHBondContact O-N 3.3Å; M90-T125 HydrophobicContact CG-CG2 3.82Å; M90-I129 HydrophobicContact CG-CG2 4.46Å |
| 91 | L | 89.1 | Confident | 83.3 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 35% | 0.346 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -103.5 | -35.9 | -176.8 | -68 | 173.9 | 0 | 0 | 0 | 113.5 | L54 H57 L87 G88 A89 | L54-L91 HydrophobicContact CB-CD1 4.5Å; L54-L91 HydrophobicContact CD2-CB 4.38Å; L54-L91 HydrophobicContact CD2-CD1 4.29Å; H57-L91 PolarHBondContact NE2-O 2.87Å; L87-L91 HydrophobicContact CD1-CD1 4.18Å; L87-L91 HydrophobicContact CG-CD1 4.25Å; L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.09Å; G88-L91 PolarHBondContact O-N 3.48Å; A89-L91 VanDerWaalsContact C-N 3.28Å; A89-L91 PolarHBondContact O-N 3.16Å |
| 92 | L | 85.3 | Confident | 82.6 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -104.9 | -19.2 | -169.3 | -60.9 | -177.6 | 0 | 0 | 0 | 114.8 | L54 H57 A63 Q67 G88 | L54-L92 HydrophobicContact CD2-CD1 3.64Å; L54-L92 HydrophobicContact CD2-CD2 4.24Å; L54-L92 HydrophobicContact CD2-CG 3.69Å; H57-L92 HydrophobicContact CB-CD2 3.99Å; A63-L92 HydrophobicContact CB-CD2 3.72Å; Q67-L92 HydrophobicContact CG-CB 4.05Å; Q67-L92 WeakPolarHBondContact CG-O 3.41Å; Q67-L92 PolarHBondContact NE2-O 3.35Å; G88-L92 WeakPolarHBondContact O-CB 3.49Å; G88-L92 PolarHBondContact O-N 3.46Å |
| 93 | L | 82.6 | Confident | 82.2 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | trans | -85.8 | 134.8 | -176.3 | -63.1 | 174.6 | 0 | 0 | 0 | 111.6 | Q67 L71 A89 V99 V103 I129 | Q67-L93 HydrophobicContact CB-CD2 3.92Å; Q67-L93 HydrophobicContact CG-CD2 3.9Å; L71-L93 HydrophobicContact CD2-CD1 4.31Å; A89-L93 HydrophobicContact CB-CD1 3.66Å; A89-L93 HydrophobicContact CB-CG 4.43Å; A89-L93 WeakPolarHBondContact O-CB 3.37Å; A89-L93 WeakPolarHBondContact O-CG 3.5Å; A89-L93 PolarHBondContact O-N 2.77Å; L93-V99 HydrophobicContact CD2-CB 4.16Å; L93-V99 HydrophobicContact CD2-CG1 3.49Å; L93-V99 VanDerWaalsContact CD2-CG1 3.49Å; L93-V103 HydrophobicContact CD1-CG2 3.48Å; L93-V103 VanDerWaalsContact CD1-CG2 3.48Å; L93-I129 HydrophobicContact CD1-CD1 4.34Å | ||
| 94 | D | 74.9 | Confident | 81.8 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | trans | -100.4 | 136.3 | 169.3 | -177.9 | -22 | 0 | 0 | 0 | 108.1 | R96 T97 | D94-R96 PolarHBondContact O-N 2.89Å; D94-R96 WeakPolarHBondContact OD1-CB 3.38Å; D94-R96 WeakPolarHBondContact OD1-CG 3.43Å; D94-R96 PolarHBondContact OD1-N 2.78Å; D94-T97 HydrophobicContact CB-CG2 4.25Å; D94-T97 PolarHBondContact O-N 3.01Å; D94-T97 VanDerWaalsContact O-N 3.07Å; D94-T97 PolarHBondContact O-OG1 3.39Å | ||
| 95 | E | 70.7 | Confident | 81.5 | Confident | 94 Ų | 94 | 54 Ų | 54 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -23.4 | 176.3 | -62.3 | -171.7 | 178.3 | 0 | 0 | 112.8 | T97 K167 | E95-T97 VanDerWaalsContact C-N 3.34Å; E95-K167 IonicContact OE1-NZ 3.8Å; E95-K167 PolarHBondContact OE1-NZ 3.41Å; E95-K167 IonicContact OE2-NZ 2.66Å; E95-K167 PolarHBondContact OE2-NZ 3.48Å |
| 96 | R | 70.6 | Confident | 81.5 | Confident | 224 Ų | 224 | 55 Ų | 55 | 85% | 0.845 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8.1 | -179.7 | -63.4 | 172.6 | 176.5 | -177.9 | 0.1 | 115.2 | D94 | D94-R96 PolarHBondContact O-N 2.89Å; D94-R96 WeakPolarHBondContact OD1-CB 3.38Å; D94-R96 WeakPolarHBondContact OD1-CG 3.43Å; D94-R96 PolarHBondContact OD1-N 2.78Å |
| 97 | T | 72.1 | Confident | 81.5 | Confident | 39 Ų | 39 | 55 Ų | 55 | 24% | 0.239 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -96.8 | 138.6 | -174.2 | 58.6 | 0 | 0 | 0 | 0 | 112 | D94 E95 V99 H100 | D94-T97 HydrophobicContact CB-CG2 4.25Å; D94-T97 PolarHBondContact O-N 3.01Å; D94-T97 VanDerWaalsContact O-N 3.07Å; D94-T97 PolarHBondContact O-OG1 3.39Å; E95-T97 VanDerWaalsContact C-N 3.34Å; T97-V99 PolarHBondContact O-N 3.34Å; T97-H100 WeakPolarHBondContact O-CB 3.48Å; T97-H100 PolarHBondContact O-N 2.9Å |
| 98 | D | 68.5 | Low | 81.5 | Confident | 140 Ų | 140 | 55 Ų | 55 | 75% | 0.749 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -28 | 176.8 | -58 | -45.1 | 0 | 0 | 0 | 112.9 | H100 L101 | D98-H100 PolarHBondContact O-N 3.43Å; D98-H100 VanDerWaalsContact O-N 3.13Å; D98-L101 PolarHBondContact O-N 3.32Å |
| 99 | V | 70.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -50.6 | -32.8 | 171.7 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | Q67 L71 L93 T97 L102 | Q67-V99 HydrophobicContact CB-CG1 4.39Å; L71-V99 HydrophobicContact CD1-CG1 3.46Å; L71-V99 VanDerWaalsContact CD1-CG1 3.46Å; L71-V99 HydrophobicContact CD2-CG1 4.22Å; L71-V99 HydrophobicContact CG-CG1 3.81Å; L93-V99 HydrophobicContact CD2-CB 4.16Å; L93-V99 HydrophobicContact CD2-CG1 3.49Å; L93-V99 VanDerWaalsContact CD2-CG1 3.49Å; T97-V99 PolarHBondContact O-N 3.34Å; V99-L102 PolarHBondContact O-N 3.4Å |
| 100 | H | 72.6 | Confident | 81.9 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 177.4 | -166.3 | 61.6 | 0 | 0 | 0 | 112.8 | T97 D98 L102 V103 I129 | T97-H100 WeakPolarHBondContact O-CB 3.48Å; T97-H100 PolarHBondContact O-N 2.9Å; D98-H100 PolarHBondContact O-N 3.43Å; D98-H100 VanDerWaalsContact O-N 3.13Å; H100-L102 VanDerWaalsContact C-N 3.31Å; H100-L102 PolarHBondContact O-N 3.5Å; H100-V103 VanDerWaalsContact O-CB 3.3Å; H100-V103 WeakPolarHBondContact O-CB 3.3Å; H100-V103 PolarHBondContact O-N 2.87Å; H100-V103 VanDerWaalsContact O-N 3.13Å; H100-I129 VanDerWaalsContact NE2-C 3.25Å; H100-I129 WeakPolarHBondContact NE2-CB 3.38Å; H100-I129 WeakPolarHBondContact NE2-CG1 3.41Å; H100-I129 PolarHBondContact NE2-O 2.68Å |
| 101 | L | 72.8 | Confident | 82.2 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 53% | 0.534 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.2 | -31.4 | -179.5 | -64.7 | 173.8 | 0 | 0 | 0 | 112.6 | D98 V103 T104 | D98-L101 PolarHBondContact O-N 3.32Å; L101-V103 VanDerWaalsContact C-N 3.26Å; L101-V103 PolarHBondContact O-N 3.39Å; L101-T104 VanDerWaalsContact O-CB 3.3Å; L101-T104 WeakPolarHBondContact O-CB 3.23Å; L101-T104 PolarHBondContact O-N 3Å; L101-T104 PolarHBondContact O-OG1 2.78Å |
| 102 | L | 77.2 | Confident | 82.4 | Confident | 95 Ų | 95 | 59.1 Ų | 59.1 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.5 | -23.9 | 176.1 | -174.1 | 54.4 | 0 | 0 | 0 | 112.3 | L71 V99 H100 T104 S106 | L71-L102 HydrophobicContact CD1-CB 3.95Å; L71-L102 HydrophobicContact CD1-CD2 3.72Å; L71-L102 HydrophobicContact CD1-CG 3.95Å; V99-L102 PolarHBondContact O-N 3.4Å; H100-L102 VanDerWaalsContact C-N 3.31Å; H100-L102 PolarHBondContact O-N 3.5Å; L102-T104 VanDerWaalsContact C-N 3.35Å; L102-S106 PolarHBondContact O-OG 3.36Å; L102-S106 VanDerWaalsContact O-OG 3.07Å |
| 103 | V | 85.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.8 | -36.9 | 170.8 | -173.5 | 0 | 0 | 0 | 0 | 111 | L71 L93 H100 L101 N105 S106 L107 I129 | L71-V103 HydrophobicContact CD2-CG2 3.39Å; L93-V103 HydrophobicContact CD1-CG2 3.48Å; L93-V103 VanDerWaalsContact CD1-CG2 3.48Å; H100-V103 VanDerWaalsContact O-CB 3.3Å; H100-V103 WeakPolarHBondContact O-CB 3.3Å; H100-V103 PolarHBondContact O-N 2.87Å; H100-V103 VanDerWaalsContact O-N 3.13Å; L101-V103 VanDerWaalsContact C-N 3.26Å; L101-V103 PolarHBondContact O-N 3.39Å; V103-N105 PolarHBondContact O-N 3.29Å; V103-S106 CarbonylContact O-C 3.59Å; V103-S106 WeakPolarHBondContact O-CA 3.38Å; V103-S106 WeakPolarHBondContact O-CB 3.47Å; V103-S106 PolarHBondContact O-N 3.46Å; V103-L107 HydrophobicContact CG1-CD1 3.74Å; V103-L107 HydrophobicContact CG1-CG 3.8Å; V103-L107 WeakPolarHBondContact O-CB 3.24Å; V103-L107 WeakPolarHBondContact O-CG 3.3Å; V103-L107 PolarHBondContact O-N 3.13Å; V103-I129 HydrophobicContact CG1-CD1 4.13Å |
| 104 | T | 85.3 | Confident | 83.2 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.6 | -49.4 | -178.5 | -42.8 | 0 | 0 | 0 | 0 | 112.1 | L101 L102 S106 L107 K108 M134 D137 L138 | L101-T104 VanDerWaalsContact O-CB 3.3Å; L101-T104 WeakPolarHBondContact O-CB 3.23Å; L101-T104 PolarHBondContact O-N 3Å; L101-T104 PolarHBondContact O-OG1 2.78Å; L102-T104 VanDerWaalsContact C-N 3.35Å; T104-S106 VanDerWaalsContact C-N 3.32Å; T104-S106 PolarHBondContact O-N 3.32Å; T104-L107 PolarHBondContact O-N 3.43Å; T104-K108 WeakPolarHBondContact O-CB 3.45Å; T104-K108 PolarHBondContact O-N 3.19Å; T104-M134 HydrophobicContact CG2-CG 4.01Å; T104-M134 VanDerWaalsContact OG1-CG 3.3Å; T104-M134 WeakPolarHBondContact OG1-CG 3.49Å; T104-D137 HydrophobicContact CG2-CB 4.49Å; T104-L138 HydrophobicContact CG2-CD1 4.02Å; T104-L138 HydrophobicContact CG2-CD2 4.44Å; T104-L138 HydrophobicContact CG2-CG 4.17Å |
| 105 | N | 87.8 | Confident | 84.1 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 177.1 | -71.9 | -35.4 | 0 | 0 | 0 | 112.1 | V103 K108 N109 | V103-N105 PolarHBondContact O-N 3.29Å; N105-K108 PolarHBondContact O-N 3.2Å; N105-N109 PolarHBondContact O-N 2.94Å; N105-N109 VanDerWaalsContact O-N 3.17Å; N105-N109 PolarHBondContact O-ND2 2.87Å |
| 106 | S | 91.4 | Very high | 85.1 | Confident | 23 Ų | 23 | 63 Ų | 63 | 16% | 0.161 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 178.3 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | Y86 L102 V103 T104 D110 | Y86-S106 PolarHBondContact OH-O 3.05Å; L102-S106 PolarHBondContact O-OG 3.36Å; L102-S106 VanDerWaalsContact O-OG 3.07Å; V103-S106 CarbonylContact O-C 3.59Å; V103-S106 WeakPolarHBondContact O-CA 3.38Å; V103-S106 WeakPolarHBondContact O-CB 3.47Å; V103-S106 PolarHBondContact O-N 3.46Å; T104-S106 VanDerWaalsContact C-N 3.32Å; T104-S106 PolarHBondContact O-N 3.32Å; S106-D110 WeakPolarHBondContact O-CB 3.32Å; S106-D110 PolarHBondContact O-N 2.94Å |
| 107 | L | 93.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -47 | 172 | -73.5 | 170.1 | 0 | 0 | 0 | 110.9 | Y86 V103 T104 N109 D110 L111 A122 T125 L126 M134 L138 | Y86-L107 HydrophobicContact CD1-CD2 4.39Å; Y86-L107 HydrophobicContact CE1-CD2 3.5Å; Y86-L107 VanDerWaalsContact CE1-CD2 3.5Å; Y86-L107 HydrophobicContact CE1-CG 4.22Å; V103-L107 HydrophobicContact CG1-CD1 3.74Å; V103-L107 HydrophobicContact CG1-CG 3.8Å; V103-L107 WeakPolarHBondContact O-CB 3.24Å; V103-L107 WeakPolarHBondContact O-CG 3.3Å; V103-L107 PolarHBondContact O-N 3.13Å; T104-L107 PolarHBondContact O-N 3.43Å; L107-N109 VanDerWaalsContact C-N 3.27Å; L107-N109 PolarHBondContact O-N 3.42Å; L107-D110 CarbonylContact O-C 3.58Å; L107-D110 PolarHBondContact O-N 3.03Å; L107-D110 VanDerWaalsContact O-N 3.08Å; L107-L111 WeakPolarHBondContact O-CB 3.42Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.42Å; L107-A122 HydrophobicContact CD2-CB 3.72Å; L107-A122 WeakPolarHBondContact CD2-O 3.37Å; L107-T125 HydrophobicContact CD2-CG2 4.38Å; L107-L126 HydrophobicContact CD1-CB 4.29Å; L107-L126 HydrophobicContact CD1-CD1 4.26Å; L107-M134 HydrophobicContact CD1-CE 3.44Å; L107-M134 VanDerWaalsContact CD1-CE 3.44Å; L107-L138 HydrophobicContact CB-CD1 3.91Å; L107-L138 HydrophobicContact CD1-CD1 4.15Å |
| 108 | K | 92.6 | Very high | 87.3 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 27% | 0.274 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.4 | -41.9 | -179.9 | -157.6 | 165.7 | -162.6 | 157.6 | 0 | 112.6 | T104 N105 N112 D137 L138 | T104-K108 WeakPolarHBondContact O-CB 3.45Å; T104-K108 PolarHBondContact O-N 3.19Å; N105-K108 PolarHBondContact O-N 3.2Å; K108-N112 PolarHBondContact O-ND2 3.11Å; K108-D137 IonicContact NZ-OD1 4Å; K108-D137 PolarHBondContact NZ-OD1 3.07Å; K108-D137 IonicContact NZ-OD2 3.91Å; K108-D137 PolarHBondContact NZ-OD2 3.48Å; K108-L138 HydrophobicContact CB-CD2 3.73Å; K108-L138 HydrophobicContact CD-CD2 3.97Å; K108-L138 HydrophobicContact CG-CD2 3.74Å |
| 109 | N | 92.5 | Very high | 88.7 | Confident | 117 Ų | 117 | 50.9 Ų | 50.9 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 173.8 | -68.9 | -29.3 | 0 | 0 | 0 | 111.8 | N105 L107 L111 N112 H113 | N105-N109 PolarHBondContact O-N 2.94Å; N105-N109 VanDerWaalsContact O-N 3.17Å; N105-N109 PolarHBondContact O-ND2 2.87Å; L107-N109 VanDerWaalsContact C-N 3.27Å; L107-N109 PolarHBondContact O-N 3.42Å; N109-L111 PolarHBondContact O-N 3.45Å; N109-N112 CarbonylContact O-C 3.57Å; N109-N112 PolarHBondContact O-N 3.34Å; N109-N112 VanDerWaalsContact O-N 3.11Å; N109-H113 PolarHBondContact O-N 2.9Å |
| 110 | D | 94.5 | Very high | 89.8 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.5 | -25.4 | -177 | -79.5 | -5.2 | 0 | 0 | 0 | 114.1 | K82 Y86 S106 L107 N112 H113 V118 V119 A122 | K82-D110 WeakPolarHBondContact CE-OD1 3.43Å; K82-D110 IonicContact NZ-OD1 2.64Å; K82-D110 PolarHBondContact NZ-OD1 3.04Å; K82-D110 IonicContact NZ-OD2 2.73Å; K82-D110 PolarHBondContact NZ-OD2 3.39Å; Y86-D110 HydrophobicContact CE2-CB 4.49Å; Y86-D110 WeakPolarHBondContact CE2-OD2 3.4Å; Y86-D110 WeakPolarHBondContact OH-CB 3.42Å; Y86-D110 PolarHBondContact OH-OD2 3.07Å; S106-D110 WeakPolarHBondContact O-CB 3.32Å; S106-D110 PolarHBondContact O-N 2.94Å; L107-D110 CarbonylContact O-C 3.58Å; L107-D110 PolarHBondContact O-N 3.03Å; L107-D110 VanDerWaalsContact O-N 3.08Å; D110-N112 PolarHBondContact O-N 3.27Å; D110-H113 VanDerWaalsContact O-CB 3.26Å; D110-H113 WeakPolarHBondContact O-CB 3.41Å; D110-H113 PolarHBondContact O-N 3.15Å; D110-V118 HydrophobicContact CB-CG1 3.7Å; D110-V119 WeakPolarHBondContact O-CA 3.21Å; D110-V119 WeakPolarHBondContact O-CG2 3.07Å; D110-A122 HydrophobicContact CB-CB 3.83Å |
| 111 | L | 95.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20 | 168.8 | -70.7 | 171.1 | 0 | 0 | 0 | 112.6 | L107 N109 A122 L123 L126 L138 E141 R144 L145 | L107-L111 WeakPolarHBondContact O-CB 3.42Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.42Å; N109-L111 PolarHBondContact O-N 3.45Å; L111-A122 HydrophobicContact CD2-CB 3.84Å; L111-A122 HydrophobicContact CG-CB 3.96Å; L111-L123 HydrophobicContact CD2-CB 4.49Å; L111-L123 HydrophobicContact CD2-CD2 3.56Å; L111-L123 HydrophobicContact CD2-CG 3.62Å; L111-L126 HydrophobicContact CD1-CD2 4.2Å; L111-L138 HydrophobicContact CD1-CB 4.45Å; L111-L138 HydrophobicContact CD1-CD1 4.37Å; L111-L138 HydrophobicContact CD1-CD2 4.39Å; L111-E141 HydrophobicContact CD1-CB 4.1Å; L111-R144 PolarHBondContact O-NH2 3.22Å; L111-R144 VanDerWaalsContact O-NH2 3.09Å; L111-L145 HydrophobicContact CB-CD1 4.08Å; L111-L145 HydrophobicContact CD2-CD1 3.67Å; L111-L145 HydrophobicContact CG-CD1 4.43Å |
| 112 | N | 94.7 | Very high | 91.9 | Very high | 81 Ų | 81 | 45.8 Ų | 45.8 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 4.8 | 174.8 | -78.5 | -73.9 | 0 | 0 | 0 | 113.1 | K108 N109 D110 E141 R144 | K108-N112 PolarHBondContact O-ND2 3.11Å; N109-N112 CarbonylContact O-C 3.57Å; N109-N112 PolarHBondContact O-N 3.34Å; N109-N112 VanDerWaalsContact O-N 3.11Å; D110-N112 PolarHBondContact O-N 3.27Å; N112-E141 VanDerWaalsContact ND2-CD 3.34Å; N112-E141 PolarHBondContact ND2-OE2 3.09Å; N112-E141 PolarHBondContact OD1-OE2 3.45Å; N112-R144 VanDerWaalsContact OD1-CZ 3.28Å; N112-R144 PolarHBondContact OD1-NH2 2.78Å |
| 113 | H | 93.6 | Very high | 92.9 | Very high | 63 Ų | 63 | 41.3 Ų | 41.3 | 29% | 0.292 | 22% | 0.22 | S | C | . | . | trans | -70.8 | 139.8 | -178.3 | -168.6 | -89.8 | 0 | 0 | 0 | 112.1 | N109 D110 T115 V118 V119 | N109-H113 PolarHBondContact O-N 2.9Å; D110-H113 VanDerWaalsContact O-CB 3.26Å; D110-H113 WeakPolarHBondContact O-CB 3.41Å; D110-H113 PolarHBondContact O-N 3.15Å; H113-T115 VanDerWaalsContact C-N 3.27Å; H113-T115 PolarHBondContact CE1-OG1 2.98Å; H113-T115 VanDerWaalsContact CE1-OG1 3.24Å; H113-T115 WeakPolarHBondContact ND1-CB 3.37Å; H113-T115 PolarHBondContact ND1-N 3.11Å; H113-T115 VanDerWaalsContact ND1-N 3.15Å; H113-T115 PolarHBondContact O-N 2.96Å; H113-V118 HydrophobicContact CB-CB 4.1Å; H113-V118 HydrophobicContact CB-CG1 3.74Å; H113-V119 HydrophobicContact CB-CG2 4.45Å; H113-V119 WeakPolarHBondContact O-CG2 3.2Å | ||
| 114 | P | 90.9 | Very high | 93.3 | Very high | 121 Ų | 121 | 43.5 Ų | 43.5 | 79% | 0.786 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -63.9 | -27.9 | -176.9 | 23.8 | -35.3 | 0 | 0 | 0 | 114 | ||
| 115 | T | 92.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 43 Ų | 43 | 36% | 0.356 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -81.7 | 121.1 | 179.4 | -49 | 0 | 0 | 0 | 0 | 111.9 | H113 Y117 V118 V119 | H113-T115 VanDerWaalsContact C-N 3.27Å; H113-T115 PolarHBondContact CE1-OG1 2.98Å; H113-T115 VanDerWaalsContact CE1-OG1 3.24Å; H113-T115 WeakPolarHBondContact ND1-CB 3.37Å; H113-T115 PolarHBondContact ND1-N 3.11Å; H113-T115 VanDerWaalsContact ND1-N 3.15Å; H113-T115 PolarHBondContact O-N 2.96Å; T115-Y117 HydrophobicContact CG2-CD2 3.92Å; T115-Y117 PolarHBondContact O-N 3.34Å; T115-Y117 VanDerWaalsContact O-N 3.15Å; T115-V118 PolarHBondContact O-N 3.32Å; T115-V119 PolarHBondContact O-N 3.16Å |
| 116 | P | 92.7 | Very high | 93.9 | Very high | 35 Ų | 35 | 38.3 Ų | 38.3 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.8 | -26.8 | -175.8 | 26.4 | -36.8 | 0 | 0 | 0 | 113.7 | S120 I153 | P116-S120 WeakPolarHBondContact O-CB 3.49Å; P116-S120 PolarHBondContact O-N 3.41Å; P116-I153 HydrophobicContact CB-CD1 3.9Å; P116-I153 HydrophobicContact CB-CG1 4.07Å |
| 117 | Y | 94.5 | Very high | 93.8 | Very high | 140 Ų | 140 | 37.6 Ų | 37.6 | 55% | 0.549 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.4 | -34.1 | 177 | -56.9 | -68.1 | 0 | 0 | 0 | 112.8 | T115 S120 L121 Y152 | T115-Y117 HydrophobicContact CG2-CD2 3.92Å; T115-Y117 PolarHBondContact O-N 3.34Å; T115-Y117 VanDerWaalsContact O-N 3.15Å; Y117-S120 PolarHBondContact O-N 2.86Å; Y117-L121 WeakPolarHBondContact O-CG 3.38Å; Y117-L121 PolarHBondContact O-N 3.18Å; Y117-L121 VanDerWaalsContact O-N 3.08Å; Y117-Y152 HydrophobicContact CD1-CE1 4.44Å |
| 118 | V | 94.7 | Very high | 93.7 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.7 | -47.3 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 109.7 | F79 K82 D110 H113 T115 S120 L121 A122 | F79-V118 HydrophobicContact CD2-CG2 3.97Å; K82-V118 HydrophobicContact CD-CG1 3.96Å; K82-V118 HydrophobicContact CD-CG2 4.31Å; D110-V118 HydrophobicContact CB-CG1 3.7Å; H113-V118 HydrophobicContact CB-CB 4.1Å; H113-V118 HydrophobicContact CB-CG1 3.74Å; T115-V118 PolarHBondContact O-N 3.32Å; V118-S120 PolarHBondContact O-N 2.81Å; V118-L121 WeakPolarHBondContact O-CB 3.48Å; V118-L121 PolarHBondContact O-N 3.1Å; V118-A122 PolarHBondContact O-N 3.39Å |
| 119 | V | 96.7 | Very high | 93.5 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.3 | -42.4 | 172.5 | -179.7 | 0 | 0 | 0 | 0 | 111 | D110 H113 T115 L121 A122 L123 L145 I153 | D110-V119 WeakPolarHBondContact O-CA 3.21Å; D110-V119 WeakPolarHBondContact O-CG2 3.07Å; H113-V119 HydrophobicContact CB-CG2 4.45Å; H113-V119 WeakPolarHBondContact O-CG2 3.2Å; T115-V119 PolarHBondContact O-N 3.16Å; V119-L121 PolarHBondContact O-N 2.94Å; V119-A122 PolarHBondContact O-N 2.8Å; V119-L123 HydrophobicContact CG1-CD1 3.97Å; V119-L123 HydrophobicContact CG1-CG 4.34Å; V119-L123 WeakPolarHBondContact O-CB 3.33Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.06Å; V119-L145 HydrophobicContact CG1-CD1 3.72Å; V119-L145 HydrophobicContact CG1-CD2 3.81Å; V119-L145 HydrophobicContact CG1-CG 4.4Å; V119-I153 HydrophobicContact CG1-CD1 4.48Å; V119-I153 HydrophobicContact CG1-CG2 4.21Å |
| 120 | S | 94.7 | Very high | 93.2 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.5 | -28.9 | 176.9 | 177.2 | 0 | 0 | 0 | 0 | 114.3 | P116 Y117 V118 C124 Y152 K156 | P116-S120 WeakPolarHBondContact O-CB 3.49Å; P116-S120 PolarHBondContact O-N 3.41Å; Y117-S120 PolarHBondContact O-N 2.86Å; V118-S120 PolarHBondContact O-N 2.81Å; S120-C124 VanDerWaalsContact O-CB 3.24Å; S120-C124 WeakPolarHBondContact O-CB 3.47Å; S120-C124 PolarHBondContact O-N 3.06Å; S120-C124 VanDerWaalsContact O-N 3.16Å; S120-Y152 VanDerWaalsContact CB-CE1 3.41Å; S120-Y152 WeakPolarHBondContact OG-CE1 3.01Å; S120-Y152 PolarHBondContact OG-OH 3.43Å; S120-K156 WeakPolarHBondContact OG-CE 3.44Å |
| 121 | L | 94.8 | Very high | 92.9 | Very high | 32 Ų | 32 | 34 Ų | 34 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.8 | -48.7 | 172 | -71.9 | 172.3 | 0 | 0 | 0 | 109.3 | F79 K82 R83 Y86 Y117 V118 V119 L123 C124 T125 | F79-L121 HydrophobicContact CD2-CD1 3.98Å; F79-L121 HydrophobicContact CE2-CD1 3.42Å; F79-L121 VanDerWaalsContact CE2-CD1 3.42Å; F79-L121 HydrophobicContact CE2-CG 4.11Å; F79-L121 HydrophobicContact CZ-CD1 4.05Å; K82-L121 HydrophobicContact CB-CD1 4.28Å; R83-L121 HydrophobicContact CB-CD1 4.02Å; R83-L121 HydrophobicContact CB-CD2 4.38Å; R83-L121 HydrophobicContact CG-CD2 4.36Å; Y86-L121 HydrophobicContact CD2-CB 3.68Å; Y86-L121 HydrophobicContact CD2-CD1 4.32Å; Y86-L121 HydrophobicContact CE2-CB 4.19Å; Y86-L121 HydrophobicContact CG-CB 4.4Å; Y117-L121 WeakPolarHBondContact O-CG 3.38Å; Y117-L121 PolarHBondContact O-N 3.18Å; Y117-L121 VanDerWaalsContact O-N 3.08Å; V118-L121 WeakPolarHBondContact O-CB 3.48Å; V118-L121 PolarHBondContact O-N 3.1Å; V119-L121 PolarHBondContact O-N 2.94Å; L121-L123 PolarHBondContact O-N 2.89Å; L121-C124 WeakPolarHBondContact O-CB 3.34Å; L121-C124 PolarHBondContact O-N 3.14Å; L121-C124 VanDerWaalsContact O-N 3.13Å; L121-T125 PolarHBondContact O-N 3.17Å; L121-T125 PolarHBondContact O-OG1 3.22Å |
| 122 | A | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L107 D110 L111 V118 V119 C124 T125 L126 | L107-A122 HydrophobicContact CD2-CB 3.72Å; L107-A122 WeakPolarHBondContact CD2-O 3.37Å; D110-A122 HydrophobicContact CB-CB 3.83Å; L111-A122 HydrophobicContact CD2-CB 3.84Å; L111-A122 HydrophobicContact CG-CB 3.96Å; V118-A122 PolarHBondContact O-N 3.39Å; V119-A122 PolarHBondContact O-N 2.8Å; A122-C124 VanDerWaalsContact C-N 3.31Å; A122-C124 PolarHBondContact O-N 2.8Å; A122-T125 PolarHBondContact O-N 2.99Å; A122-L126 VanDerWaalsContact O-CB 3.31Å; A122-L126 WeakPolarHBondContact O-CB 3.3Å; A122-L126 PolarHBondContact O-N 3.13Å |
| 123 | L | 96.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 174.2 | -74.9 | 171.9 | 0 | 0 | 0 | 112.8 | L111 V119 L121 G127 V142 L145 I153 K156 A157 C160 | L111-L123 HydrophobicContact CD2-CB 4.49Å; L111-L123 HydrophobicContact CD2-CD2 3.56Å; L111-L123 HydrophobicContact CD2-CG 3.62Å; V119-L123 HydrophobicContact CG1-CD1 3.97Å; V119-L123 HydrophobicContact CG1-CG 4.34Å; V119-L123 WeakPolarHBondContact O-CB 3.33Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.06Å; L121-L123 PolarHBondContact O-N 2.89Å; L123-G127 PolarHBondContact O-N 3.37Å; L123-G127 VanDerWaalsContact O-N 3.12Å; L123-V142 HydrophobicContact CD2-CG2 4.05Å; L123-L145 HydrophobicContact CD1-CD1 4.25Å; L123-L145 HydrophobicContact CD2-CD1 3.97Å; L123-L145 HydrophobicContact CG-CD1 4.24Å; L123-I153 HydrophobicContact CD1-CG2 4.1Å; L123-K156 HydrophobicContact CB-CB 4.17Å; L123-K156 HydrophobicContact CD1-CB 3.82Å; L123-A157 HydrophobicContact CD1-CB 3.96Å; L123-A157 HydrophobicContact CD2-CB 4.2Å; L123-C160 HydrophobicContact CD2-CB 4.03Å |
| 124 | C | 95.2 | Very high | 92 | Very high | 45 Ų | 45 | 34 Ų | 34 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.8 | -43.8 | 178.6 | -160.1 | 0 | 0 | 0 | 0 | 111.1 | S120 L121 A122 S128 | S120-C124 VanDerWaalsContact O-CB 3.24Å; S120-C124 WeakPolarHBondContact O-CB 3.47Å; S120-C124 PolarHBondContact O-N 3.06Å; S120-C124 VanDerWaalsContact O-N 3.16Å; L121-C124 WeakPolarHBondContact O-CB 3.34Å; L121-C124 PolarHBondContact O-N 3.14Å; L121-C124 VanDerWaalsContact O-N 3.13Å; A122-C124 VanDerWaalsContact C-N 3.31Å; A122-C124 PolarHBondContact O-N 2.8Å; C124-S128 PolarHBondContact O-N 3.41Å; C124-S128 PolarHBondContact O-OG 2.78Å |
| 125 | T | 92.3 | Very high | 92 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.2 | -46.2 | 176.8 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | Y86 A89 M90 L107 L121 A122 G127 S128 I129 | Y86-T125 WeakPolarHBondContact CB-OG1 3.2Å; Y86-T125 HydrophobicContact CD1-CG2 3.85Å; Y86-T125 WeakPolarHBondContact CD1-OG1 3.17Å; Y86-T125 HydrophobicContact CE1-CG2 4.4Å; A89-T125 HydrophobicContact CB-CG2 4.4Å; M90-T125 HydrophobicContact CG-CG2 3.82Å; L107-T125 HydrophobicContact CD2-CG2 4.38Å; L121-T125 PolarHBondContact O-N 3.17Å; L121-T125 PolarHBondContact O-OG1 3.22Å; A122-T125 PolarHBondContact O-N 2.99Å; T125-G127 VanDerWaalsContact C-N 3.29Å; T125-G127 PolarHBondContact O-N 3.06Å; T125-S128 WeakPolarHBondContact O-CA 3.32Å; T125-S128 PolarHBondContact O-N 2.78Å; T125-I129 HydrophobicContact CG2-CD1 3.68Å; T125-I129 HydrophobicContact CG2-CG1 3.77Å; T125-I129 WeakPolarHBondContact O-CG1 3.46Å; T125-I129 PolarHBondContact O-N 3.01Å |
| 126 | L | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.4 | -45.8 | 176.7 | -179.3 | 55.8 | 0 | 0 | 0 | 111.1 | L107 L111 A122 S128 C130 M134 L138 V142 I164 | L107-L126 HydrophobicContact CD1-CB 4.29Å; L107-L126 HydrophobicContact CD1-CD1 4.26Å; L111-L126 HydrophobicContact CD1-CD2 4.2Å; A122-L126 VanDerWaalsContact O-CB 3.31Å; A122-L126 WeakPolarHBondContact O-CB 3.3Å; A122-L126 PolarHBondContact O-N 3.13Å; L126-S128 PolarHBondContact O-N 2.97Å; L126-C130 HydrophobicContact CD1-CB 4.3Å; L126-C130 WeakPolarHBondContact O-CA 3.38Å; L126-C130 WeakPolarHBondContact O-CB 3.34Å; L126-C130 PolarHBondContact O-N 3.32Å; L126-M134 HydrophobicContact CD1-CB 4.39Å; L126-M134 HydrophobicContact CD1-CE 4.39Å; L126-L138 HydrophobicContact CD1-CD1 3.87Å; L126-L138 HydrophobicContact CD2-CB 3.78Å; L126-L138 HydrophobicContact CD2-CD1 3.93Å; L126-V142 HydrophobicContact CD2-CG2 3.78Å; L126-I164 HydrophobicContact CD2-CD1 4.42Å |
| 127 | G | 89.6 | Confident | 91.8 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.7 | -9.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L123 T125 Q163 | L123-G127 PolarHBondContact O-N 3.37Å; L123-G127 VanDerWaalsContact O-N 3.12Å; T125-G127 VanDerWaalsContact C-N 3.29Å; T125-G127 PolarHBondContact O-N 3.06Å; G127-Q163 WeakPolarHBondContact O-CB 3.47Å; G127-Q163 WeakPolarHBondContact O-CG 3.47Å; G127-Q163 PolarHBondContact O-NE2 3.1Å |
| 128 | S | 89.7 | Confident | 91.8 | Very high | 74 Ų | 74 | 26.4 Ų | 26.4 | 52% | 0.517 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -104.8 | -30.1 | 177.2 | -72.5 | 0 | 0 | 0 | 0 | 113.8 | C124 T125 L126 | C124-S128 PolarHBondContact O-N 3.41Å; C124-S128 PolarHBondContact O-OG 2.78Å; T125-S128 WeakPolarHBondContact O-CA 3.32Å; T125-S128 PolarHBondContact O-N 2.78Å; L126-S128 PolarHBondContact O-N 2.97Å |
| 129 | I | 88.4 | Confident | 91.8 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 5% | 0.051 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -122.6 | 22.9 | -176.9 | 68.9 | 166 | 0 | 0 | 0 | 113.3 | M90 L93 H100 V103 T125 S131 | M90-I129 HydrophobicContact CG-CG2 4.46Å; L93-I129 HydrophobicContact CD1-CD1 4.34Å; H100-I129 VanDerWaalsContact NE2-C 3.25Å; H100-I129 WeakPolarHBondContact NE2-CB 3.38Å; H100-I129 WeakPolarHBondContact NE2-CG1 3.41Å; H100-I129 PolarHBondContact NE2-O 2.68Å; V103-I129 HydrophobicContact CG1-CD1 4.13Å; T125-I129 HydrophobicContact CG2-CD1 3.68Å; T125-I129 HydrophobicContact CG2-CG1 3.77Å; T125-I129 WeakPolarHBondContact O-CG1 3.46Å; T125-I129 PolarHBondContact O-N 3.01Å; I129-S131 PolarHBondContact O-N 3.43Å |
| 130 | C | 87.5 | Confident | 91.7 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 8% | 0.081 | 16% | 0.162 | C | C | . | . | trans | -63.5 | 109 | -178.3 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | L126 K167 | L126-C130 HydrophobicContact CD1-CB 4.3Å; L126-C130 WeakPolarHBondContact O-CA 3.38Å; L126-C130 WeakPolarHBondContact O-CB 3.34Å; L126-C130 PolarHBondContact O-N 3.32Å; C130-K167 WeakPolarHBondContact O-CD 3.37Å; C130-K167 WeakPolarHBondContact O-CE 3.48Å; C130-K167 WeakPolarHBondContact O-CG 3.45Å; C130-K167 PolarHBondContact O-NZ 3.38Å | ||
| 131 | S | 88.8 | Confident | 91.7 | Very high | 15 Ų | 15 | 29.4 Ų | 29.4 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | trans | -75.1 | 166.4 | 158.3 | 62.6 | 0 | 0 | 0 | 0 | 111.1 | I129 E133 M134 S135 | I129-S131 PolarHBondContact O-N 3.43Å; S131-E133 VanDerWaalsContact C-N 3.35Å; S131-E133 PolarHBondContact O-N 3.26Å; S131-M134 PolarHBondContact O-N 2.88Å; S131-M134 WeakPolarHBondContact OG-CB 3.44Å; S131-M134 WeakPolarHBondContact OG-CG 3.37Å; S131-M134 PolarHBondContact OG-N 3.44Å; S131-M134 PolarHBondContact OG-SD 3.45Å; S131-M134 VanDerWaalsContact OG-SD 3.38Å; S131-S135 WeakPolarHBondContact O-CB 3.39Å; S131-S135 PolarHBondContact O-N 3.31Å; S131-S135 PolarHBondContact O-OG 2.99Å | ||
| 132 | A | 88.2 | Confident | 91.8 | Very high | 29 Ų | 29 | 27.9 Ų | 27.9 | 24% | 0.24 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S135 R136 V168 | A132-S135 WeakPolarHBondContact O-CB 3.35Å; A132-S135 PolarHBondContact O-N 3.31Å; A132-R136 PolarHBondContact O-N 3.44Å; A132-R136 VanDerWaalsContact O-N 3.09Å; A132-V168 HydrophobicContact CB-CG2 3.87Å |
| 133 | E | 87 | Confident | 91.7 | Very high | 117 Ų | 117 | 29.7 Ų | 29.7 | 55% | 0.547 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69.5 | -41.8 | 179.5 | -52.4 | -42 | 131.4 | 0 | 0 | 112.4 | S131 S135 R136 D137 | S131-E133 VanDerWaalsContact C-N 3.35Å; S131-E133 PolarHBondContact O-N 3.26Å; E133-S135 VanDerWaalsContact C-N 3.26Å; E133-S135 PolarHBondContact O-N 2.91Å; E133-R136 PolarHBondContact O-N 3.05Å; E133-R136 IonicContact OE1-CZ 3.29Å; E133-R136 IonicContact OE1-NH1 2.98Å; E133-R136 PolarHBondContact OE1-NH1 3.23Å; E133-R136 IonicContact OE2-NH1 3.32Å; E133-R136 PolarHBondContact OE2-NH1 2.81Å; E133-D137 PolarHBondContact O-N 2.97Å |
| 134 | M | 88.3 | Confident | 91.7 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.9 | -38.5 | 171.8 | -71.9 | 172.8 | 83 | 0 | 0 | 112.3 | T104 L107 L126 S131 L138 | T104-M134 HydrophobicContact CG2-CG 4.01Å; T104-M134 VanDerWaalsContact OG1-CG 3.3Å; T104-M134 WeakPolarHBondContact OG1-CG 3.49Å; L107-M134 HydrophobicContact CD1-CE 3.44Å; L107-M134 VanDerWaalsContact CD1-CE 3.44Å; L126-M134 HydrophobicContact CD1-CB 4.39Å; L126-M134 HydrophobicContact CD1-CE 4.39Å; S131-M134 PolarHBondContact O-N 2.88Å; S131-M134 WeakPolarHBondContact OG-CB 3.44Å; S131-M134 WeakPolarHBondContact OG-CG 3.37Å; S131-M134 PolarHBondContact OG-N 3.44Å; S131-M134 PolarHBondContact OG-SD 3.45Å; S131-M134 VanDerWaalsContact OG-SD 3.38Å; M134-L138 WeakPolarHBondContact O-CB 3.49Å; M134-L138 WeakPolarHBondContact O-CG 3.43Å; M134-L138 PolarHBondContact O-N 3.48Å |
| 135 | S | 91.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 177.9 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | S131 A132 E133 A139 | S131-S135 WeakPolarHBondContact O-CB 3.39Å; S131-S135 PolarHBondContact O-N 3.31Å; S131-S135 PolarHBondContact O-OG 2.99Å; A132-S135 WeakPolarHBondContact O-CB 3.35Å; A132-S135 PolarHBondContact O-N 3.31Å; E133-S135 VanDerWaalsContact C-N 3.26Å; E133-S135 PolarHBondContact O-N 2.91Å; S135-A139 WeakPolarHBondContact O-CB 3.32Å; S135-A139 PolarHBondContact O-N 2.85Å |
| 136 | R | 91.6 | Very high | 91.8 | Very high | 122 Ų | 122 | 33 Ų | 33 | 46% | 0.46 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68.7 | -42.3 | 177.7 | -65.6 | -174.7 | -164.2 | 102.5 | 2.1 | 113 | A132 E133 L171 | A132-R136 PolarHBondContact O-N 3.44Å; A132-R136 VanDerWaalsContact O-N 3.09Å; E133-R136 PolarHBondContact O-N 3.05Å; E133-R136 IonicContact OE1-CZ 3.29Å; E133-R136 IonicContact OE1-NH1 2.98Å; E133-R136 PolarHBondContact OE1-NH1 3.23Å; E133-R136 IonicContact OE2-NH1 3.32Å; E133-R136 PolarHBondContact OE2-NH1 2.81Å; R136-L171 HydrophobicContact CG-CD1 4.21Å |
| 137 | D | 90.8 | Very high | 91.7 | Very high | 72 Ų | 72 | 40.7 Ų | 40.7 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.3 | -32 | -179.9 | -175.5 | 55.2 | 0 | 0 | 0 | 113.5 | T104 K108 E133 | T104-D137 HydrophobicContact CG2-CB 4.49Å; K108-D137 IonicContact NZ-OD1 4Å; K108-D137 PolarHBondContact NZ-OD1 3.07Å; K108-D137 IonicContact NZ-OD2 3.91Å; K108-D137 PolarHBondContact NZ-OD2 3.48Å; E133-D137 PolarHBondContact O-N 2.97Å |
| 138 | L | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -107.2 | -7.5 | -172.7 | -56.8 | 179.7 | 0 | 0 | 0 | 114.7 | T104 L107 K108 L111 L126 M134 G140 E141 V142 | T104-L138 HydrophobicContact CG2-CD1 4.02Å; T104-L138 HydrophobicContact CG2-CD2 4.44Å; T104-L138 HydrophobicContact CG2-CG 4.17Å; L107-L138 HydrophobicContact CB-CD1 3.91Å; L107-L138 HydrophobicContact CD1-CD1 4.15Å; K108-L138 HydrophobicContact CB-CD2 3.73Å; K108-L138 HydrophobicContact CD-CD2 3.97Å; K108-L138 HydrophobicContact CG-CD2 3.74Å; L111-L138 HydrophobicContact CD1-CB 4.45Å; L111-L138 HydrophobicContact CD1-CD1 4.37Å; L111-L138 HydrophobicContact CD1-CD2 4.39Å; L126-L138 HydrophobicContact CD1-CD1 3.87Å; L126-L138 HydrophobicContact CD2-CB 3.78Å; L126-L138 HydrophobicContact CD2-CD1 3.93Å; M134-L138 WeakPolarHBondContact O-CB 3.49Å; M134-L138 WeakPolarHBondContact O-CG 3.43Å; M134-L138 PolarHBondContact O-N 3.48Å; L138-G140 VanDerWaalsContact C-N 3.33Å; L138-G140 PolarHBondContact O-N 3.1Å; L138-E141 WeakPolarHBondContact O-CB 3.37Å; L138-E141 PolarHBondContact O-N 3.11Å; L138-E141 VanDerWaalsContact O-N 3.09Å; L138-V142 PolarHBondContact O-N 3.32Å; L138-V142 VanDerWaalsContact O-N 3.1Å |
| 139 | A | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -41.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S135 E141 V142 E143 L171 M174 F175 | S135-A139 WeakPolarHBondContact O-CB 3.32Å; S135-A139 PolarHBondContact O-N 2.85Å; A139-E141 VanDerWaalsContact C-N 3.28Å; A139-E141 PolarHBondContact O-N 3.35Å; A139-V142 PolarHBondContact O-N 3.39Å; A139-V142 VanDerWaalsContact O-N 3.11Å; A139-E143 PolarHBondContact O-N 3.13Å; A139-L171 HydrophobicContact CB-CD1 4.01Å; A139-M174 HydrophobicContact CB-SD 4.08Å; A139-F175 HydrophobicContact CB-CZ 4.19Å |
| 140 | G | 94.2 | Very high | 92 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 38% | 0.381 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.3 | -33.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L138 R144 | L138-G140 VanDerWaalsContact C-N 3.33Å; L138-G140 PolarHBondContact O-N 3.1Å; G140-R144 WeakPolarHBondContact O-CB 3.48Å; G140-R144 PolarHBondContact O-N 3.12Å |
| 141 | E | 95 | Very high | 92.2 | Very high | 40 Ų | 40 | 46.9 Ų | 46.9 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.3 | -40.3 | 173.2 | -64.1 | -60.6 | 158.2 | 0 | 0 | 111.6 | L111 N112 L138 A139 R144 L145 | L111-E141 HydrophobicContact CD1-CB 4.1Å; N112-E141 VanDerWaalsContact ND2-CD 3.34Å; N112-E141 PolarHBondContact ND2-OE2 3.09Å; N112-E141 PolarHBondContact OD1-OE2 3.45Å; L138-E141 WeakPolarHBondContact O-CB 3.37Å; L138-E141 PolarHBondContact O-N 3.11Å; L138-E141 VanDerWaalsContact O-N 3.09Å; A139-E141 VanDerWaalsContact C-N 3.28Å; A139-E141 PolarHBondContact O-N 3.35Å; E141-R144 PolarHBondContact O-N 3.01Å; E141-R144 IonicContact OE2-CZ 2.74Å; E141-R144 IonicContact OE2-NE 2.78Å; E141-R144 PolarHBondContact OE2-NE 2.66Å; E141-R144 IonicContact OE2-NH2 3.71Å; E141-R144 PolarHBondContact OE2-NH2 3.31Å; E141-L145 WeakPolarHBondContact O-CB 3.39Å; E141-L145 WeakPolarHBondContact O-CG 3.3Å; E141-L145 PolarHBondContact O-N 3.3Å |
| 142 | V | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 175.3 | 179.1 | 0 | 0 | 0 | 0 | 111 | L123 L126 L138 A139 L145 I146 A157 C160 A161 I164 F175 | L123-V142 HydrophobicContact CD2-CG2 4.05Å; L126-V142 HydrophobicContact CD2-CG2 3.78Å; L138-V142 PolarHBondContact O-N 3.32Å; L138-V142 VanDerWaalsContact O-N 3.1Å; A139-V142 PolarHBondContact O-N 3.39Å; A139-V142 VanDerWaalsContact O-N 3.11Å; V142-L145 PolarHBondContact O-N 3.33Å; V142-I146 HydrophobicContact CG1-CD1 4.35Å; V142-I146 WeakPolarHBondContact O-CG1 3.39Å; V142-I146 PolarHBondContact O-N 2.91Å; V142-A157 HydrophobicContact CG1-CB 4.39Å; V142-A157 WeakPolarHBondContact CG1-O 3.48Å; V142-C160 HydrophobicContact CG1-CB 4.1Å; V142-A161 HydrophobicContact CG1-CB 4.06Å; V142-I164 HydrophobicContact CB-CD1 4.25Å; V142-I164 HydrophobicContact CG1-CD1 4.41Å; V142-I164 HydrophobicContact CG2-CD1 3.81Å; V142-F175 HydrophobicContact CB-CE1 4.41Å; V142-F175 HydrophobicContact CB-CZ 4.49Å; V142-F175 HydrophobicContact CG1-CE1 4.13Å; V142-F175 HydrophobicContact CG1-CZ 4.4Å |
| 143 | E | 95.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 50.3 Ų | 50.3 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.8 | -158.2 | -141.1 | 146.1 | 0 | 0 | 111.7 | A139 L145 I146 R147 M174 F175 | A139-E143 PolarHBondContact O-N 3.13Å; E143-L145 VanDerWaalsContact C-N 3.32Å; E143-L145 PolarHBondContact O-N 2.83Å; E143-I146 WeakPolarHBondContact O-CB 3.3Å; E143-I146 PolarHBondContact O-N 3.33Å; E143-R147 PolarHBondContact O-N 3.38Å; E143-R147 IonicContact OE1-CZ 2.7Å; E143-R147 VanDerWaalsContact OE1-CZ 3.29Å; E143-R147 IonicContact OE1-NE 2.85Å; E143-R147 PolarHBondContact OE1-NE 3.38Å; E143-R147 IonicContact OE1-NH2 2.68Å; E143-R147 PolarHBondContact OE1-NH2 3.2Å; E143-M174 HydrophobicContact CB-CG 4.26Å; E143-M174 HydrophobicContact CB-SD 4.23Å; E143-M174 HydrophobicContact CG-CG 3.92Å; E143-M174 VanDerWaalsContact OE2-CG 3.27Å; E143-M174 WeakPolarHBondContact OE2-CG 3.31Å; E143-F175 HydrophobicContact CB-CD1 4.42Å; E143-F175 HydrophobicContact CB-CE1 3.99Å; E143-F175 HydrophobicContact CG-CD1 4.27Å; E143-F175 HydrophobicContact CG-CE1 4.34Å |
| 144 | R | 95.1 | Very high | 93.1 | Very high | 107 Ų | 107 | 45.9 Ų | 45.9 | 40% | 0.404 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.6 | -43.2 | 172.7 | -176.7 | -175.6 | 62.8 | 71.2 | 7.8 | 111.7 | L111 N112 G140 E141 R147 | L111-R144 PolarHBondContact O-NH2 3.22Å; L111-R144 VanDerWaalsContact O-NH2 3.09Å; N112-R144 VanDerWaalsContact OD1-CZ 3.28Å; N112-R144 PolarHBondContact OD1-NH2 2.78Å; G140-R144 WeakPolarHBondContact O-CB 3.48Å; G140-R144 PolarHBondContact O-N 3.12Å; E141-R144 PolarHBondContact O-N 3.01Å; E141-R144 IonicContact OE2-CZ 2.74Å; E141-R144 IonicContact OE2-NE 2.78Å; E141-R144 PolarHBondContact OE2-NE 2.66Å; E141-R144 IonicContact OE2-NH2 3.71Å; E141-R144 PolarHBondContact OE2-NH2 3.31Å; R144-R147 PolarHBondContact O-N 2.98Å |
| 145 | L | 95.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.8 | -28.4 | -179.2 | -70.9 | 170.4 | 0 | 0 | 0 | 113.7 | L111 V119 L123 E141 V142 E143 R147 S148 I153 A157 | L111-L145 HydrophobicContact CB-CD1 4.08Å; L111-L145 HydrophobicContact CD2-CD1 3.67Å; L111-L145 HydrophobicContact CG-CD1 4.43Å; V119-L145 HydrophobicContact CG1-CD1 3.72Å; V119-L145 HydrophobicContact CG1-CD2 3.81Å; V119-L145 HydrophobicContact CG1-CG 4.4Å; L123-L145 HydrophobicContact CD1-CD1 4.25Å; L123-L145 HydrophobicContact CD2-CD1 3.97Å; L123-L145 HydrophobicContact CG-CD1 4.24Å; E141-L145 WeakPolarHBondContact O-CB 3.39Å; E141-L145 WeakPolarHBondContact O-CG 3.3Å; E141-L145 PolarHBondContact O-N 3.3Å; V142-L145 PolarHBondContact O-N 3.33Å; E143-L145 VanDerWaalsContact C-N 3.32Å; E143-L145 PolarHBondContact O-N 2.83Å; L145-R147 PolarHBondContact O-N 2.92Å; L145-S148 WeakPolarHBondContact O-CB 3.48Å; L145-S148 PolarHBondContact O-N 3.34Å; L145-S148 VanDerWaalsContact O-N 3.12Å; L145-I153 HydrophobicContact CB-CG2 4.04Å; L145-I153 HydrophobicContact CD2-CG2 4Å; L145-A157 HydrophobicContact CB-CB 3.98Å |
| 146 | I | 93.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -32.8 | 169.4 | -78.4 | 168.7 | 0 | 0 | 0 | 111.4 | V142 E143 S148 A157 A161 F175 C178 L182 | V142-I146 HydrophobicContact CG1-CD1 4.35Å; V142-I146 WeakPolarHBondContact O-CG1 3.39Å; V142-I146 PolarHBondContact O-N 2.91Å; E143-I146 WeakPolarHBondContact O-CB 3.3Å; E143-I146 PolarHBondContact O-N 3.33Å; I146-S148 VanDerWaalsContact C-N 3.31Å; I146-A157 HydrophobicContact CG1-CB 3.63Å; I146-A161 HydrophobicContact CD1-CB 3.79Å; I146-F175 HydrophobicContact CD1-CD1 3.71Å; I146-F175 HydrophobicContact CD1-CE1 3.94Å; I146-C178 HydrophobicContact CG2-CB 3.61Å; I146-L182 HydrophobicContact CG2-CD1 3.72Å; I146-L182 HydrophobicContact CG2-CD2 4.1Å; I146-L182 HydrophobicContact CG2-CG 3.98Å |
| 147 | R | 91.5 | Very high | 93.9 | Very high | 161 Ų | 161 | 46.5 Ų | 46.5 | 61% | 0.608 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.4 | 177.9 | -56.6 | 178.8 | -173.5 | -151.1 | 4.7 | 113.7 | E143 R144 L145 C178 | E143-R147 PolarHBondContact O-N 3.38Å; E143-R147 IonicContact OE1-CZ 2.7Å; E143-R147 VanDerWaalsContact OE1-CZ 3.29Å; E143-R147 IonicContact OE1-NE 2.85Å; E143-R147 PolarHBondContact OE1-NE 3.38Å; E143-R147 IonicContact OE1-NH2 2.68Å; E143-R147 PolarHBondContact OE1-NH2 3.2Å; R144-R147 PolarHBondContact O-N 2.98Å; L145-R147 PolarHBondContact O-N 2.92Å; R147-C178 PolarHBondContact NE-SG 3.16Å; R147-C178 VanDerWaalsContact NE-SG 3.38Å |
| 148 | S | 91.4 | Very high | 94.1 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | trans | -59.4 | 148.5 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | L145 I146 N150 K154 | L145-S148 WeakPolarHBondContact O-CB 3.48Å; L145-S148 PolarHBondContact O-N 3.34Å; L145-S148 VanDerWaalsContact O-N 3.12Å; I146-S148 VanDerWaalsContact C-N 3.31Å; S148-N150 PolarHBondContact O-N 2.96Å; S148-N150 PolarHBondContact OG-N 2.84Å; S148-K154 WeakPolarHBondContact O-CE 3.18Å; S148-K154 WeakPolarHBondContact O-CG 3.32Å | ||
| 149 | S | 90.1 | Very high | 94.2 | Very high | 122 Ų | 122 | 46.3 Ų | 46.3 | 85% | 0.853 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -69 | -18.3 | 172.4 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | A151 | S149-A151 PolarHBondContact O-N 3.27Š|
| 150 | N | 92.7 | Very high | 94.3 | Very high | 58 Ų | 58 | 46.3 Ų | 46.3 | 31% | 0.31 | 23% | 0.234 | S | C | . | . | trans | -87.3 | 110.4 | -175.6 | -174.5 | -22.8 | 0 | 0 | 0 | 111.7 | S148 Y152 I153 K154 | S148-N150 PolarHBondContact O-N 2.96Å; S148-N150 PolarHBondContact OG-N 2.84Å; N150-Y152 PolarHBondContact O-N 2.86Å; N150-Y152 VanDerWaalsContact O-N 3.16Å; N150-Y152 WeakPolarHBondContact OD1-CB 3.49Å; N150-Y152 PolarHBondContact OD1-N 3.38Å; N150-I153 HydrophobicContact CB-CB 4.27Å; N150-I153 HydrophobicContact CB-CD1 4.02Å; N150-I153 HydrophobicContact CB-CG1 3.97Å; N150-I153 WeakPolarHBondContact O-CA 3.47Å; N150-I153 WeakPolarHBondContact O-CB 3.46Å; N150-I153 PolarHBondContact O-N 3.06Å; N150-K154 PolarHBondContact O-N 3.03Å | ||
| 151 | A | 91.7 | Very high | 94.4 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 21% | 0.207 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.4 | -33.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | S149 K154 K155 N187 V190 | S149-A151 PolarHBondContact O-N 3.27Å; A151-K154 PolarHBondContact O-N 3.37Å; A151-K155 WeakPolarHBondContact O-CB 3.35Å; A151-K155 PolarHBondContact O-N 3.38Å; A151-N187 HydrophobicContact CB-CB 4.02Å; A151-V190 HydrophobicContact CB-CG2 3.93Å; A151-V190 WeakPolarHBondContact O-CG2 3.39Å |
| 152 | Y | 92.5 | Very high | 94.4 | Very high | 103 Ų | 103 | 44.5 Ų | 44.5 | 40% | 0.404 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66 | -40.9 | 176.2 | -179.1 | -105.3 | 0 | 0 | 0 | 111.8 | Y117 S120 N150 K156 | Y117-Y152 HydrophobicContact CD1-CE1 4.44Å; S120-Y152 VanDerWaalsContact CB-CE1 3.41Å; S120-Y152 WeakPolarHBondContact OG-CE1 3.01Å; S120-Y152 PolarHBondContact OG-OH 3.43Å; N150-Y152 PolarHBondContact O-N 2.86Å; N150-Y152 VanDerWaalsContact O-N 3.16Å; N150-Y152 WeakPolarHBondContact OD1-CB 3.49Å; N150-Y152 PolarHBondContact OD1-N 3.38Å; Y152-K156 WeakPolarHBondContact O-CG 3.34Å; Y152-K156 PolarHBondContact O-N 3.13Å |
| 153 | I | 95.2 | Very high | 94.4 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.6 | -49.2 | 172.9 | -58.1 | -176.9 | 0 | 0 | 0 | 109.8 | P116 V119 L123 L145 N150 K155 K156 A157 | P116-I153 HydrophobicContact CB-CD1 3.9Å; P116-I153 HydrophobicContact CB-CG1 4.07Å; V119-I153 HydrophobicContact CG1-CD1 4.48Å; V119-I153 HydrophobicContact CG1-CG2 4.21Å; L123-I153 HydrophobicContact CD1-CG2 4.1Å; L145-I153 HydrophobicContact CB-CG2 4.04Å; L145-I153 HydrophobicContact CD2-CG2 4Å; N150-I153 HydrophobicContact CB-CB 4.27Å; N150-I153 HydrophobicContact CB-CD1 4.02Å; N150-I153 HydrophobicContact CB-CG1 3.97Å; N150-I153 WeakPolarHBondContact O-CA 3.47Å; N150-I153 WeakPolarHBondContact O-CB 3.46Å; N150-I153 PolarHBondContact O-N 3.06Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.22Å; I153-K156 PolarHBondContact O-N 3.39Å; I153-A157 WeakPolarHBondContact O-CB 3.24Å; I153-A157 PolarHBondContact O-N 2.76Å |
| 154 | K | 95.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 45.7 Ų | 45.7 | 10% | 0.104 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -50.5 | -49.2 | 178.5 | -67.5 | -168.7 | 179 | -177.9 | 0 | 112 | S148 N150 A151 K156 A157 A158 L182 E185 V190 | S148-K154 WeakPolarHBondContact O-CE 3.18Å; S148-K154 WeakPolarHBondContact O-CG 3.32Å; N150-K154 PolarHBondContact O-N 3.03Å; A151-K154 PolarHBondContact O-N 3.37Å; K154-K156 PolarHBondContact O-N 3.3Å; K154-A157 PolarHBondContact O-N 3.21Å; K154-A158 WeakPolarHBondContact O-CB 3.45Å; K154-A158 PolarHBondContact O-N 3.2Å; K154-L182 HydrophobicContact CB-CD2 4.19Å; K154-L182 HydrophobicContact CD-CD2 4Å; K154-L182 HydrophobicContact CG-CD2 4.44Å; K154-E185 IonicContact NZ-OE2 2.85Å; K154-E185 PolarHBondContact NZ-OE2 3.45Å; K154-V190 HydrophobicContact CB-CG1 4.09Å; K154-V190 HydrophobicContact CB-CG2 4.01Å; K154-V190 HydrophobicContact CD-CG1 4.43Å |
| 155 | K | 95.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 40.6 Ų | 40.6 | 36% | 0.357 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.4 | -48.2 | 177.7 | 174.9 | 175.6 | -174.4 | 176.3 | 0 | 111.8 | A151 I153 L159 G189 V190 A193 | A151-K155 WeakPolarHBondContact O-CB 3.35Å; A151-K155 PolarHBondContact O-N 3.38Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.22Å; K155-L159 WeakPolarHBondContact O-CG 3.24Å; K155-L159 PolarHBondContact O-N 3.28Å; K155-G189 WeakPolarHBondContact CD-O 3.48Å; K155-G189 WeakPolarHBondContact CG-O 3.16Å; K155-V190 HydrophobicContact CB-CG2 4.12Å; K155-A193 HydrophobicContact CG-CB 4.19Å |
| 156 | K | 95.1 | Very high | 94.3 | Very high | 54 Ų | 54 | 46.6 Ų | 46.6 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.7 | -38.1 | -179.8 | -72.6 | -75.1 | -172 | 175.3 | 0 | 112.2 | S120 L123 Y152 I153 K154 L159 C160 | S120-K156 WeakPolarHBondContact OG-CE 3.44Å; L123-K156 HydrophobicContact CB-CB 4.17Å; L123-K156 HydrophobicContact CD1-CB 3.82Å; Y152-K156 WeakPolarHBondContact O-CG 3.34Å; Y152-K156 PolarHBondContact O-N 3.13Å; I153-K156 PolarHBondContact O-N 3.39Å; K154-K156 PolarHBondContact O-N 3.3Å; K156-L159 PolarHBondContact O-N 3.48Å; K156-C160 WeakPolarHBondContact O-CB 3.1Å; K156-C160 PolarHBondContact O-N 2.86Å |
| 157 | A | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.9 | -40 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L123 V142 L145 I146 I153 K154 L159 C160 A161 | L123-A157 HydrophobicContact CD1-CB 3.96Å; L123-A157 HydrophobicContact CD2-CB 4.2Å; V142-A157 HydrophobicContact CG1-CB 4.39Å; V142-A157 WeakPolarHBondContact CG1-O 3.48Å; L145-A157 HydrophobicContact CB-CB 3.98Å; I146-A157 HydrophobicContact CG1-CB 3.63Å; I153-A157 WeakPolarHBondContact O-CB 3.24Å; I153-A157 PolarHBondContact O-N 2.76Å; K154-A157 PolarHBondContact O-N 3.21Å; A157-L159 PolarHBondContact O-N 2.59Å; A157-C160 WeakPolarHBondContact O-CB 3.35Å; A157-C160 PolarHBondContact O-N 3.01Å; A157-A161 WeakPolarHBondContact O-CB 3.33Å; A157-A161 PolarHBondContact O-N 3.16Å |
| 158 | A | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K154 A161 F162 L182 A193 L197 | K154-A158 WeakPolarHBondContact O-CB 3.45Å; K154-A158 PolarHBondContact O-N 3.2Å; A158-A161 PolarHBondContact O-N 3.04Å; A158-F162 PolarHBondContact O-N 2.96Å; A158-L182 HydrophobicContact CB-CD1 4.22Å; A158-A193 HydrophobicContact CB-CB 4Å; A158-L197 HydrophobicContact CB-CD2 4.39Å |
| 159 | L | 96 | Very high | 94.3 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 35% | 0.351 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.8 | -35.7 | 172.8 | -69 | 174.1 | 0 | 0 | 0 | 112.4 | K155 K156 A157 F162 Q163 A193 | K155-L159 WeakPolarHBondContact O-CG 3.24Å; K155-L159 PolarHBondContact O-N 3.28Å; K156-L159 PolarHBondContact O-N 3.48Å; A157-L159 PolarHBondContact O-N 2.59Å; L159-F162 PolarHBondContact O-N 3.12Å; L159-Q163 WeakPolarHBondContact O-CG 3.37Å; L159-Q163 PolarHBondContact O-N 3.26Å; L159-A193 HydrophobicContact CD2-CB 3.97Å; L159-A193 HydrophobicContact CG-CB 3.83Å |
| 160 | C | 96.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 174.1 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | L123 V142 K156 A157 Q163 I164 | L123-C160 HydrophobicContact CD2-CB 4.03Å; V142-C160 HydrophobicContact CG1-CB 4.1Å; K156-C160 WeakPolarHBondContact O-CB 3.1Å; K156-C160 PolarHBondContact O-N 2.86Å; A157-C160 WeakPolarHBondContact O-CB 3.35Å; A157-C160 PolarHBondContact O-N 3.01Å; C160-Q163 PolarHBondContact O-N 3.13Å; C160-I164 WeakPolarHBondContact O-CG1 3.46Å; C160-I164 PolarHBondContact O-N 3.09Å |
| 161 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V142 I146 A157 A158 Q163 I164 I165 F175 L197 | V142-A161 HydrophobicContact CG1-CB 4.06Å; I146-A161 HydrophobicContact CD1-CB 3.79Å; A157-A161 WeakPolarHBondContact O-CB 3.33Å; A157-A161 PolarHBondContact O-N 3.16Å; A158-A161 PolarHBondContact O-N 3.04Å; A161-Q163 VanDerWaalsContact C-N 3.33Å; A161-Q163 PolarHBondContact O-N 3.34Å; A161-I164 PolarHBondContact O-N 3.5Å; A161-I165 WeakPolarHBondContact O-CG1 3.43Å; A161-I165 PolarHBondContact O-N 2.93Å; A161-F175 HydrophobicContact CB-CD1 3.74Å; A161-F175 HydrophobicContact CB-CD2 4.25Å; A161-F175 HydrophobicContact CB-CE1 3.65Å; A161-F175 HydrophobicContact CB-CE2 4.17Å; A161-F175 HydrophobicContact CB-CG 4.05Å; A161-F175 HydrophobicContact CB-CZ 3.88Å; A161-L197 HydrophobicContact CB-CD1 4.18Å; A161-L197 HydrophobicContact CB-CD2 4.45Å |
| 162 | F | 95.5 | Very high | 94.4 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.7 | -46.7 | 171.9 | 163.7 | -87.4 | 0 | 0 | 0 | 111.2 | A158 L159 I165 R166 C196 L197 E200 | A158-F162 PolarHBondContact O-N 2.96Å; L159-F162 PolarHBondContact O-N 3.12Å; F162-I165 PolarHBondContact O-N 2.73Å; F162-R166 WeakPolarHBondContact O-CG 3.24Å; F162-R166 PolarHBondContact O-N 3.41Å; F162-R166 VanDerWaalsContact O-N 3.08Å; F162-C196 WeakPolarHBondContact CD2-O 3.3Å; F162-L197 HydrophobicContact CB-CB 4.48Å; F162-L197 HydrophobicContact CB-CD1 4.2Å; F162-E200 HydrophobicContact CD2-CB 3.62Å; F162-E200 HydrophobicContact CD2-CG 3.99Å; F162-E200 HydrophobicContact CE2-CB 3.66Å; F162-E200 HydrophobicContact CE2-CG 3.92Å; F162-E200 WeakPolarHBondContact CE2-OE2 3.48Å; F162-E200 WeakPolarHBondContact CZ-OE2 3.32Å |
| 163 | Q | 94.5 | Very high | 94.3 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.4 | -37.7 | 178.5 | -60.7 | -74.8 | 54.9 | 0 | 0 | 112.6 | G127 L159 C160 A161 R166 K167 | G127-Q163 WeakPolarHBondContact O-CB 3.47Å; G127-Q163 WeakPolarHBondContact O-CG 3.47Å; G127-Q163 PolarHBondContact O-NE2 3.1Å; L159-Q163 WeakPolarHBondContact O-CG 3.37Å; L159-Q163 PolarHBondContact O-N 3.26Å; C160-Q163 PolarHBondContact O-N 3.13Å; A161-Q163 VanDerWaalsContact C-N 3.33Å; A161-Q163 PolarHBondContact O-N 3.34Å; Q163-R166 WeakPolarHBondContact O-CB 3.49Å; Q163-R166 PolarHBondContact O-N 2.6Å; Q163-K167 PolarHBondContact O-N 3.19Å; Q163-K167 VanDerWaalsContact O-N 3.11Å |
| 164 | I | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 173.6 | -76.4 | 166.1 | 0 | 0 | 0 | 110.9 | L126 V142 C160 A161 R166 K167 V168 L171 F175 | L126-I164 HydrophobicContact CD2-CD1 4.42Å; V142-I164 HydrophobicContact CB-CD1 4.25Å; V142-I164 HydrophobicContact CG1-CD1 4.41Å; V142-I164 HydrophobicContact CG2-CD1 3.81Å; C160-I164 WeakPolarHBondContact O-CG1 3.46Å; C160-I164 PolarHBondContact O-N 3.09Å; A161-I164 PolarHBondContact O-N 3.5Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.04Å; I164-K167 PolarHBondContact O-N 2.75Å; I164-K167 VanDerWaalsContact O-N 3.07Å; I164-V168 PolarHBondContact O-N 2.8Å; I164-L171 HydrophobicContact CG2-CB 4.29Å; I164-L171 HydrophobicContact CG2-CD1 3.85Å; I164-F175 HydrophobicContact CG2-CE2 4Å; I164-F175 HydrophobicContact CG2-CZ 4.45Å |
| 165 | I | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -34 | 177.3 | -70 | 167.2 | 0 | 0 | 0 | 111.5 | A161 F162 K167 P169 M172 F175 L197 E200 M201 | A161-I165 WeakPolarHBondContact O-CG1 3.43Å; A161-I165 PolarHBondContact O-N 2.93Å; F162-I165 PolarHBondContact O-N 2.73Å; I165-K167 VanDerWaalsContact C-N 3.3Å; I165-K167 PolarHBondContact O-N 3.29Å; I165-P169 WeakPolarHBondContact O-CA 3.45Å; I165-M172 HydrophobicContact CD1-CB 4.27Å; I165-M172 HydrophobicContact CD1-CG 4.23Å; I165-M172 HydrophobicContact CG1-CB 4.17Å; I165-M172 HydrophobicContact CG2-CB 4.34Å; I165-M172 HydrophobicContact CG2-SD 4.4Å; I165-F175 HydrophobicContact CD1-CB 4.34Å; I165-F175 HydrophobicContact CD1-CD2 3.88Å; I165-F175 HydrophobicContact CD1-CG 4.43Å; I165-F175 HydrophobicContact CG1-CD2 4.02Å; I165-F175 HydrophobicContact CG1-CE2 4.46Å; I165-L197 HydrophobicContact CD1-CD1 3.6Å; I165-E200 HydrophobicContact CG2-CG 4.45Å; I165-M201 HydrophobicContact CD1-CE 4.2Å; I165-M201 HydrophobicContact CD1-CG 3.91Å; I165-M201 HydrophobicContact CD1-SD 4.27Å |
| 166 | R | 93.4 | Very high | 94 | Very high | 132 Ų | 132 | 44.4 Ų | 44.4 | 50% | 0.498 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64 | -33.1 | 173 | -73.3 | -169.6 | 68.9 | -179 | 3.8 | 113.4 | F162 Q163 I164 E200 | F162-R166 WeakPolarHBondContact O-CG 3.24Å; F162-R166 PolarHBondContact O-N 3.41Å; F162-R166 VanDerWaalsContact O-N 3.08Å; Q163-R166 WeakPolarHBondContact O-CB 3.49Å; Q163-R166 PolarHBondContact O-N 2.6Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.04Å; R166-E200 VanDerWaalsContact CG-CD 3.47Å; R166-E200 HydrophobicContact CG-CG 3.93Å; R166-E200 WeakPolarHBondContact CG-OE1 3.23Å |
| 167 | K | 91.3 | Very high | 93.7 | Very high | 83 Ų | 83 | 45.8 Ų | 45.8 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -87.6 | -40.2 | -179.9 | -164.2 | 80.7 | 176.7 | -159.7 | 0 | 113 | E95 C130 Q163 I164 I165 | E95-K167 IonicContact OE1-NZ 3.8Å; E95-K167 PolarHBondContact OE1-NZ 3.41Å; E95-K167 IonicContact OE2-NZ 2.66Å; E95-K167 PolarHBondContact OE2-NZ 3.48Å; C130-K167 WeakPolarHBondContact O-CD 3.37Å; C130-K167 WeakPolarHBondContact O-CE 3.48Å; C130-K167 WeakPolarHBondContact O-CG 3.45Å; C130-K167 PolarHBondContact O-NZ 3.38Å; Q163-K167 PolarHBondContact O-N 3.19Å; Q163-K167 VanDerWaalsContact O-N 3.11Å; I164-K167 PolarHBondContact O-N 2.75Å; I164-K167 VanDerWaalsContact O-N 3.07Å; I165-K167 VanDerWaalsContact C-N 3.3Å; I165-K167 PolarHBondContact O-N 3.29Å |
| 168 | V | 93.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | trans | -136.9 | 90.5 | -177.4 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | A132 I164 D170 L171 | A132-V168 HydrophobicContact CB-CG2 3.87Å; I164-V168 PolarHBondContact O-N 2.8Å; V168-D170 HydrophobicContact CG1-CB 4.43Å; V168-D170 PolarHBondContact O-N 3.33Å; V168-L171 HydrophobicContact CB-CD1 3.93Å; V168-L171 HydrophobicContact CB-CG 4.27Å; V168-L171 HydrophobicContact CG1-CD1 3.91Å; V168-L171 HydrophobicContact CG1-CG 3.85Å; V168-L171 PolarHBondContact O-N 3.21Å | ||
| 169 | P | 92.1 | Very high | 93 | Very high | 55 Ų | 55 | 46.1 Ų | 46.1 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -60.1 | -30.9 | -176.3 | -26 | 36.3 | 0 | 0 | 0 | 113.9 | I165 L171 M172 | I165-P169 WeakPolarHBondContact O-CA 3.45Å; P169-L171 PolarHBondContact O-N 3.48Å; P169-L171 VanDerWaalsContact O-N 3.13Å; P169-M172 WeakPolarHBondContact O-CB 3.33Å; P169-M172 PolarHBondContact O-N 3Å |
| 170 | D | 91.5 | Very high | 92.4 | Very high | 129 Ų | 129 | 51.2 Ų | 51.2 | 69% | 0.69 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -58.2 | -27.9 | -178.4 | -41.3 | -39.7 | 0 | 0 | 0 | 112.9 | V168 M172 | V168-D170 HydrophobicContact CG1-CB 4.43Å; V168-D170 PolarHBondContact O-N 3.33Å; D170-M172 PolarHBondContact O-N 3.21Å |
| 171 | L | 93.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -76.5 | -3.9 | 178.9 | -62.5 | 174.1 | 0 | 0 | 0 | 113.2 | R136 A139 I164 V168 P169 E173 M174 F175 | R136-L171 HydrophobicContact CG-CD1 4.21Å; A139-L171 HydrophobicContact CB-CD1 4.01Å; I164-L171 HydrophobicContact CG2-CB 4.29Å; I164-L171 HydrophobicContact CG2-CD1 3.85Å; V168-L171 HydrophobicContact CB-CD1 3.93Å; V168-L171 HydrophobicContact CB-CG 4.27Å; V168-L171 HydrophobicContact CG1-CD1 3.91Å; V168-L171 HydrophobicContact CG1-CG 3.85Å; V168-L171 PolarHBondContact O-N 3.21Å; P169-L171 PolarHBondContact O-N 3.48Å; P169-L171 VanDerWaalsContact O-N 3.13Å; L171-E173 VanDerWaalsContact C-N 3.32Å; L171-E173 PolarHBondContact O-N 2.88Å; L171-M174 WeakPolarHBondContact O-CB 3.27Å; L171-M174 PolarHBondContact O-N 3.35Å; L171-F175 HydrophobicContact CB-CE2 4.5Å; L171-F175 VanDerWaalsContact O-CD2 3.27Å; L171-F175 WeakPolarHBondContact O-CD2 3.48Å |
| 172 | M | 92.9 | Very high | 91.5 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -39 | -179.2 | 178.6 | 167.5 | 59.4 | 0 | 0 | 113.3 | I165 P169 D170 M174 F175 I176 M201 S205 | I165-M172 HydrophobicContact CD1-CB 4.27Å; I165-M172 HydrophobicContact CD1-CG 4.23Å; I165-M172 HydrophobicContact CG1-CB 4.17Å; I165-M172 HydrophobicContact CG2-CB 4.34Å; I165-M172 HydrophobicContact CG2-SD 4.4Å; P169-M172 WeakPolarHBondContact O-CB 3.33Å; P169-M172 PolarHBondContact O-N 3Å; D170-M172 PolarHBondContact O-N 3.21Å; M172-M174 VanDerWaalsContact C-N 3.25Å; M172-M174 PolarHBondContact O-N 3.07Å; M172-F175 PolarHBondContact O-N 3.23Å; M172-I176 HydrophobicContact CG-CG1 4.5Å; M172-I176 PolarHBondContact O-N 2.84Å; M172-M201 HydrophobicContact CG-CB 4.37Å; M172-M201 HydrophobicContact CG-CE 3.53Å; M172-M201 HydrophobicContact CG-CG 3.93Å; M172-M201 WeakPolarHBondContact O-CE 3.47Å; M172-M201 HydrophobicContact SD-CB 3.71Å; M172-M201 HydrophobicContact SD-CE 4.49Å; M172-M201 HydrophobicContact SD-CG 3.82Å; M172-S205 VanDerWaalsContact CE-CB 3.46Å |
| 173 | E | 90.9 | Very high | 91.1 | Very high | 156 Ų | 156 | 53.2 Ų | 53.2 | 73% | 0.729 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.2 | -37.6 | -177.1 | -63.3 | -168.7 | 163.9 | 0 | 0 | 112.6 | L171 F175 I176 P177 | L171-E173 VanDerWaalsContact C-N 3.32Å; L171-E173 PolarHBondContact O-N 2.88Å; E173-F175 PolarHBondContact O-N 3.24Å; E173-I176 PolarHBondContact O-N 3.4Å; E173-P177 VanDerWaalsContact O-CD 3.31Å; E173-P177 WeakPolarHBondContact O-CD 3.44Å |
| 174 | M | 92.4 | Very high | 90.7 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -34 | 176.3 | -175.6 | -177.8 | -71 | 0 | 0 | 112.3 | A139 E143 L171 M172 | A139-M174 HydrophobicContact CB-SD 4.08Å; E143-M174 HydrophobicContact CB-CG 4.26Å; E143-M174 HydrophobicContact CB-SD 4.23Å; E143-M174 HydrophobicContact CG-CG 3.92Å; E143-M174 VanDerWaalsContact OE2-CG 3.27Å; E143-M174 WeakPolarHBondContact OE2-CG 3.31Å; L171-M174 WeakPolarHBondContact O-CB 3.27Å; L171-M174 PolarHBondContact O-N 3.35Å; M172-M174 VanDerWaalsContact C-N 3.25Å; M172-M174 PolarHBondContact O-N 3.07Å |
| 175 | F | 94.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -88.1 | -21.3 | -177.1 | -62.7 | -66.2 | 0 | 0 | 0 | 113.7 | A139 V142 E143 I146 A161 I164 I165 L171 M172 E173 C178 T179 M201 | A139-F175 HydrophobicContact CB-CZ 4.19Å; V142-F175 HydrophobicContact CB-CE1 4.41Å; V142-F175 HydrophobicContact CB-CZ 4.49Å; V142-F175 HydrophobicContact CG1-CE1 4.13Å; V142-F175 HydrophobicContact CG1-CZ 4.4Å; E143-F175 HydrophobicContact CB-CD1 4.42Å; E143-F175 HydrophobicContact CB-CE1 3.99Å; E143-F175 HydrophobicContact CG-CD1 4.27Å; E143-F175 HydrophobicContact CG-CE1 4.34Å; I146-F175 HydrophobicContact CD1-CD1 3.71Å; I146-F175 HydrophobicContact CD1-CE1 3.94Å; A161-F175 HydrophobicContact CB-CD1 3.74Å; A161-F175 HydrophobicContact CB-CD2 4.25Å; A161-F175 HydrophobicContact CB-CE1 3.65Å; A161-F175 HydrophobicContact CB-CE2 4.17Å; A161-F175 HydrophobicContact CB-CG 4.05Å; A161-F175 HydrophobicContact CB-CZ 3.88Å; I164-F175 HydrophobicContact CG2-CE2 4Å; I164-F175 HydrophobicContact CG2-CZ 4.45Å; I165-F175 HydrophobicContact CD1-CB 4.34Å; I165-F175 HydrophobicContact CD1-CD2 3.88Å; I165-F175 HydrophobicContact CD1-CG 4.43Å; I165-F175 HydrophobicContact CG1-CD2 4.02Å; I165-F175 HydrophobicContact CG1-CE2 4.46Å; L171-F175 HydrophobicContact CB-CE2 4.5Å; L171-F175 VanDerWaalsContact O-CD2 3.27Å; L171-F175 WeakPolarHBondContact O-CD2 3.48Å; M172-F175 PolarHBondContact O-N 3.23Å; E173-F175 PolarHBondContact O-N 3.24Å; F175-C178 WeakPolarHBondContact O-CB 3.5Å; F175-C178 PolarHBondContact O-N 3.37Å; F175-C178 VanDerWaalsContact O-N 3.1Å; F175-T179 PolarHBondContact O-N 2.65Å; F175-M201 HydrophobicContact CB-CE 4.13Å |
| 176 | I | 91.5 | Very high | 89.9 | Confident | 28 Ų | 28 | 65.6 Ų | 65.6 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -52.4 | -49.3 | -178.4 | -66.6 | 172.8 | 0 | 0 | 0 | 112.6 | M172 E173 C178 T179 M201 T208 Y211 F212 | M172-I176 HydrophobicContact CG-CG1 4.5Å; M172-I176 PolarHBondContact O-N 2.84Å; E173-I176 PolarHBondContact O-N 3.4Å; I176-C178 PolarHBondContact O-N 3.2Å; I176-T179 PolarHBondContact O-N 2.83Å; I176-T179 PolarHBondContact O-OG1 3.2Å; I176-M201 HydrophobicContact CB-CE 4.26Å; I176-M201 HydrophobicContact CG1-CE 3.39Å; I176-T208 HydrophobicContact CD1-CG2 3.93Å; I176-T208 HydrophobicContact CG1-CG2 4.23Å; I176-Y211 HydrophobicContact CG2-CD1 4.08Å; I176-Y211 HydrophobicContact CG2-CE1 3.73Å; I176-F212 HydrophobicContact CG1-CZ 4.44Å; I176-F212 HydrophobicContact CG2-CE1 4.21Å; I176-F212 HydrophobicContact CG2-CZ 4.1Å |
| 177 | P | 89.7 | Confident | 89.7 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.9 | -28.8 | -178.3 | -24.1 | 35.2 | 0 | 0 | 0 | 113.7 | E173 | E173-P177 VanDerWaalsContact O-CD 3.31Å; E173-P177 WeakPolarHBondContact O-CD 3.44Å |
| 178 | C | 89 | Confident | 89.7 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -76.7 | -28.9 | -176.8 | -66.9 | 0 | 0 | 0 | 0 | 113.1 | I146 R147 F175 I176 R180 S181 L182 | I146-C178 HydrophobicContact CG2-CB 3.61Å; R147-C178 PolarHBondContact NE-SG 3.16Å; R147-C178 VanDerWaalsContact NE-SG 3.38Å; F175-C178 WeakPolarHBondContact O-CB 3.5Å; F175-C178 PolarHBondContact O-N 3.37Å; F175-C178 VanDerWaalsContact O-N 3.1Å; I176-C178 PolarHBondContact O-N 3.2Å; C178-R180 VanDerWaalsContact C-N 3.29Å; C178-R180 PolarHBondContact O-N 3.47Å; C178-S181 PolarHBondContact O-N 3.01Å; C178-L182 PolarHBondContact O-N 3.29Å |
| 179 | T | 88.3 | Confident | 89.6 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -36.2 | -174.7 | 66 | 0 | 0 | 0 | 0 | 113 | F175 I176 S181 L182 L183 L197 I198 M201 F212 | F175-T179 PolarHBondContact O-N 2.65Å; I176-T179 PolarHBondContact O-N 2.83Å; I176-T179 PolarHBondContact O-OG1 3.2Å; T179-S181 PolarHBondContact O-N 3.26Å; T179-L182 WeakPolarHBondContact O-CB 3.27Å; T179-L182 PolarHBondContact O-N 3.45Å; T179-L183 PolarHBondContact O-N 3.19Å; T179-L197 HydrophobicContact CG2-CD2 4.29Å; T179-I198 HydrophobicContact CG2-CG1 3.93Å; T179-M201 HydrophobicContact CG2-CE 4.28Å; T179-M201 HydrophobicContact CG2-SD 3.87Å; T179-F212 HydrophobicContact CG2-CZ 4.06Å; T179-F212 VanDerWaalsContact OG1-CE1 3.24Å; T179-F212 WeakPolarHBondContact OG1-CE1 3.5Å; T179-F212 WeakPolarHBondContact OG1-CZ 3.47Å |
| 180 | R | 83.2 | Confident | 89.6 | Confident | 174 Ų | 174 | 57.1 Ų | 57.1 | 66% | 0.657 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 179.2 | -175.1 | 176.8 | 176.4 | -171.1 | -1 | 112.4 | C178 L182 | C178-R180 VanDerWaalsContact C-N 3.29Å; C178-R180 PolarHBondContact O-N 3.47Å; R180-L182 VanDerWaalsContact C-N 3.34Å |
| 181 | S | 85.1 | Confident | 89.7 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 52% | 0.517 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 176.7 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | C178 T179 S184 | C178-S181 PolarHBondContact O-N 3.01Å; T179-S181 PolarHBondContact O-N 3.26Å; S181-S184 PolarHBondContact O-N 3.19Å; S181-S184 PolarHBondContact O-OG 3.27Å |
| 182 | L | 88.9 | Confident | 89.8 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68 | -36.7 | 176.9 | -72.2 | 175.5 | 0 | 0 | 0 | 113.4 | I146 K154 A158 C178 T179 R180 S184 E185 V190 T194 | I146-L182 HydrophobicContact CG2-CD1 3.72Å; I146-L182 HydrophobicContact CG2-CD2 4.1Å; I146-L182 HydrophobicContact CG2-CG 3.98Å; K154-L182 HydrophobicContact CB-CD2 4.19Å; K154-L182 HydrophobicContact CD-CD2 4Å; K154-L182 HydrophobicContact CG-CD2 4.44Å; A158-L182 HydrophobicContact CB-CD1 4.22Å; C178-L182 PolarHBondContact O-N 3.29Å; T179-L182 WeakPolarHBondContact O-CB 3.27Å; T179-L182 PolarHBondContact O-N 3.45Å; R180-L182 VanDerWaalsContact C-N 3.34Å; L182-S184 PolarHBondContact O-N 3.1Å; L182-E185 WeakPolarHBondContact O-CB 3.46Å; L182-E185 PolarHBondContact O-N 2.62Å; L182-E185 VanDerWaalsContact O-N 3.14Å; L182-V190 HydrophobicContact CD2-CG1 3.78Å; L182-T194 HydrophobicContact CB-CG2 3.45Å; L182-T194 VanDerWaalsContact CB-CG2 3.45Å; L182-T194 WeakPolarHBondContact CB-OG1 3.37Å; L182-T194 HydrophobicContact CD1-CG2 4.16Å; L182-T194 HydrophobicContact CG-CG2 4.48Å |
| 183 | L | 87.4 | Confident | 89.9 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.2 | 177.2 | -80.8 | 179.3 | 0 | 0 | 0 | 114.7 | T179 L191 T194 I195 I198 L216 T219 L220 | T179-L183 PolarHBondContact O-N 3.19Å; L183-L191 HydrophobicContact CD2-CD2 4.39Å; L183-T194 HydrophobicContact CD2-CG2 3.91Å; L183-T194 HydrophobicContact CG-CG2 3.79Å; L183-I195 HydrophobicContact CD2-CG1 4.24Å; L183-I198 HydrophobicContact CD1-CD1 3.46Å; L183-I198 VanDerWaalsContact CD1-CD1 3.46Å; L183-I198 HydrophobicContact CD2-CD1 4.19Å; L183-I198 HydrophobicContact CG-CD1 3.76Å; L183-L216 HydrophobicContact CD1-CB 4.47Å; L183-L216 HydrophobicContact CD1-CD1 3.78Å; L183-L216 HydrophobicContact CD1-CD2 3.61Å; L183-L216 HydrophobicContact CD1-CG 4.15Å; L183-T219 HydrophobicContact CB-CG2 4.17Å; L183-L220 HydrophobicContact CD2-CD2 4.34Å |
| 184 | S | 86.3 | Confident | 90.1 | Very high | 86 Ų | 86 | 44 Ų | 44 | 60% | 0.601 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 0.9 | 170.1 | 47 | 0 | 0 | 0 | 0 | 114.2 | S181 L182 | S181-S184 PolarHBondContact O-N 3.19Å; S181-S184 PolarHBondContact O-OG 3.27Å; L182-S184 PolarHBondContact O-N 3.1Å |
| 185 | E | 87.3 | Confident | 90.3 | Very high | 47 Ų | 47 | 40.6 Ų | 40.6 | 22% | 0.22 | 21% | 0.211 | C | C | . | . | trans | -71.1 | 143.8 | 179.6 | -171.4 | 52.9 | -94.9 | 0 | 0 | 112.1 | K154 L182 N187 V190 L191 | K154-E185 IonicContact NZ-OE2 2.85Å; K154-E185 PolarHBondContact NZ-OE2 3.45Å; L182-E185 WeakPolarHBondContact O-CB 3.46Å; L182-E185 PolarHBondContact O-N 2.62Å; L182-E185 VanDerWaalsContact O-N 3.14Å; E185-N187 HydrophobicContact CG-CB 4.1Å; E185-V190 HydrophobicContact CB-CB 4.3Å; E185-V190 HydrophobicContact CB-CG1 4.04Å; E185-V190 HydrophobicContact CG-CB 3.79Å; E185-V190 HydrophobicContact CG-CG1 3.87Å; E185-V190 HydrophobicContact CG-CG2 4.06Å; E185-L191 WeakPolarHBondContact O-CD2 3.5Å | ||
| 186 | K | 85.6 | Confident | 90.3 | Very high | 189 Ų | 189 | 41.8 Ų | 41.8 | 82% | 0.822 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -81.4 | -22.4 | 178.7 | -65.5 | -176.7 | -179.3 | -179.7 | 0 | 112.9 | H188 | K186-H188 PolarHBondContact O-N 2.88Š|
| 187 | N | 89.7 | Confident | 90.5 | Very high | 65 Ų | 65 | 40.5 Ų | 40.5 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | trans | -76.8 | 114.8 | -178.1 | -172.9 | -82.4 | 0 | 0 | 0 | 111.3 | A151 E185 G189 V190 L191 | A151-N187 HydrophobicContact CB-CB 4.02Å; E185-N187 HydrophobicContact CG-CB 4.1Å; N187-G189 PolarHBondContact O-N 3.01Å; N187-G189 VanDerWaalsContact OD1-CA 3.32Å; N187-G189 WeakPolarHBondContact OD1-CA 3.41Å; N187-G189 PolarHBondContact OD1-N 3.49Å; N187-V190 HydrophobicContact CB-CB 4.34Å; N187-V190 HydrophobicContact CB-CG2 3.97Å; N187-V190 WeakPolarHBondContact O-CB 3.45Å; N187-V190 PolarHBondContact O-N 2.99Å; N187-V190 PolarHBondContact OD1-N 3.23Å; N187-V190 VanDerWaalsContact OD1-N 3.13Å; N187-L191 PolarHBondContact O-N 3.44Å | ||
| 188 | H | 90.7 | Very high | 90.8 | Very high | 27 Ų | 27 | 36.5 Ų | 36.5 | 13% | 0.125 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.1 | -35.8 | 179.8 | -69.7 | -158.2 | 0 | 0 | 0 | 113.1 | K186 V190 L191 L192 H236 D243 L246 | K186-H188 PolarHBondContact O-N 2.88Å; H188-V190 VanDerWaalsContact C-N 3.29Å; H188-V190 PolarHBondContact O-N 3.09Å; H188-L191 PolarHBondContact O-N 3.42Å; H188-L192 WeakPolarHBondContact O-CB 3.45Å; H188-L192 WeakPolarHBondContact O-CG 3.42Å; H188-L192 PolarHBondContact O-N 2.93Å; H188-H236 AromaticContact CG-CE1 3.98Å; H188-H236 AromaticContact CG-ND1 3.96Å; H188-H236 AromaticContact ND1-CG 3.65Å; H188-H236 AromaticContact ND1-ND1 3.64Å; H188-D243 WeakPolarHBondContact CB-OD2 3.18Å; H188-D243 IonicContact CE1-OD2 2.74Å; H188-D243 IonicContact CG-OD2 3.19Å; H188-D243 WeakPolarHBondContact ND1-CB 3.11Å; H188-D243 IonicContact ND1-OD2 2.68Å; H188-D243 PolarHBondContact ND1-OD2 3.38Å; H188-L246 HydrophobicContact CB-CD2 4.04Å |
| 189 | G | 91.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -32 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K155 N187 A193 | K155-G189 WeakPolarHBondContact CD-O 3.48Å; K155-G189 WeakPolarHBondContact CG-O 3.16Å; N187-G189 PolarHBondContact O-N 3.01Å; N187-G189 VanDerWaalsContact OD1-CA 3.32Å; N187-G189 WeakPolarHBondContact OD1-CA 3.41Å; N187-G189 PolarHBondContact OD1-N 3.49Å; G189-A193 PolarHBondContact O-N 3.41Å |
| 190 | V | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.7 | -45 | 171.2 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | A151 K154 K155 L182 E185 N187 H188 L192 A193 T194 | A151-V190 HydrophobicContact CB-CG2 3.93Å; A151-V190 WeakPolarHBondContact O-CG2 3.39Å; K154-V190 HydrophobicContact CB-CG1 4.09Å; K154-V190 HydrophobicContact CB-CG2 4.01Å; K154-V190 HydrophobicContact CD-CG1 4.43Å; K155-V190 HydrophobicContact CB-CG2 4.12Å; L182-V190 HydrophobicContact CD2-CG1 3.78Å; E185-V190 HydrophobicContact CB-CB 4.3Å; E185-V190 HydrophobicContact CB-CG1 4.04Å; E185-V190 HydrophobicContact CG-CB 3.79Å; E185-V190 HydrophobicContact CG-CG1 3.87Å; E185-V190 HydrophobicContact CG-CG2 4.06Å; N187-V190 HydrophobicContact CB-CB 4.34Å; N187-V190 HydrophobicContact CB-CG2 3.97Å; N187-V190 WeakPolarHBondContact O-CB 3.45Å; N187-V190 PolarHBondContact O-N 2.99Å; N187-V190 PolarHBondContact OD1-N 3.23Å; N187-V190 VanDerWaalsContact OD1-N 3.13Å; H188-V190 VanDerWaalsContact C-N 3.29Å; H188-V190 PolarHBondContact O-N 3.09Å; V190-L192 PolarHBondContact O-N 3.22Å; V190-A193 PolarHBondContact O-N 3.18Å; V190-T194 WeakPolarHBondContact O-CB 3.47Å; V190-T194 PolarHBondContact O-N 2.96Å; V190-T194 PolarHBondContact O-OG1 3.23Å |
| 191 | L | 93.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 5% | 0.047 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.7 | -46.5 | 177 | -66.5 | 176.3 | 0 | 0 | 0 | 111.9 | L183 E185 N187 H188 A193 T194 I195 T223 L246 | L183-L191 HydrophobicContact CD2-CD2 4.39Å; E185-L191 WeakPolarHBondContact O-CD2 3.5Å; N187-L191 PolarHBondContact O-N 3.44Å; H188-L191 PolarHBondContact O-N 3.42Å; L191-A193 PolarHBondContact O-N 2.85Å; L191-T194 WeakPolarHBondContact O-CB 3.41Å; L191-T194 PolarHBondContact O-N 3.2Å; L191-I195 WeakPolarHBondContact O-CB 3.4Å; L191-I195 WeakPolarHBondContact O-CD1 3.05Å; L191-I195 VanDerWaalsContact O-CG1 3.27Å; L191-I195 WeakPolarHBondContact O-CG1 3.43Å; L191-I195 PolarHBondContact O-N 3.5Å; L191-T223 HydrophobicContact CD1-CG2 4.22Å; L191-L246 HydrophobicContact CB-CD1 3.91Å; L191-L246 HydrophobicContact CB-CD2 4.4Å; L191-L246 HydrophobicContact CD1-CD2 4.1Å |
| 192 | L | 94.2 | Very high | 92.3 | Very high | 42 Ų | 42 | 27.3 Ų | 27.3 | 22% | 0.22 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.9 | -49.4 | 175.1 | -80.3 | 169.9 | 0 | 0 | 0 | 112.7 | H188 V190 T194 I195 C196 L246 K249 | H188-L192 WeakPolarHBondContact O-CB 3.45Å; H188-L192 WeakPolarHBondContact O-CG 3.42Å; H188-L192 PolarHBondContact O-N 2.93Å; V190-L192 PolarHBondContact O-N 3.22Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 3.5Å; L192-I195 PolarHBondContact O-N 3.25Å; L192-C196 PolarHBondContact O-N 2.97Å; L192-C196 VanDerWaalsContact O-N 3.09Å; L192-C196 PolarHBondContact O-SG 3.04Å; L192-C196 VanDerWaalsContact O-SG 3.38Å; L192-L246 HydrophobicContact CD2-CB 4.11Å; L192-L246 HydrophobicContact CD2-CD1 4.12Å; L192-L246 HydrophobicContact CG-CB 4.32Å; L192-L246 HydrophobicContact CG-CD1 4.12Å; L192-K249 HydrophobicContact CD2-CB 3.98Å; L192-K249 HydrophobicContact CD2-CG 3.89Å |
| 193 | A | 95.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | K155 A158 L159 G189 V190 L191 C196 L197 | K155-A193 HydrophobicContact CG-CB 4.19Å; A158-A193 HydrophobicContact CB-CB 4Å; L159-A193 HydrophobicContact CD2-CB 3.97Å; L159-A193 HydrophobicContact CG-CB 3.83Å; G189-A193 PolarHBondContact O-N 3.41Å; V190-A193 PolarHBondContact O-N 3.18Å; L191-A193 PolarHBondContact O-N 2.85Å; A193-C196 PolarHBondContact O-N 2.71Å; A193-L197 WeakPolarHBondContact O-CB 3.16Å; A193-L197 PolarHBondContact O-N 3.47Å |
| 194 | T | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.8 | -40.7 | 179.2 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | L182 L183 V190 L191 L192 L197 I198 | L182-T194 HydrophobicContact CB-CG2 3.45Å; L182-T194 VanDerWaalsContact CB-CG2 3.45Å; L182-T194 WeakPolarHBondContact CB-OG1 3.37Å; L182-T194 HydrophobicContact CD1-CG2 4.16Å; L182-T194 HydrophobicContact CG-CG2 4.48Å; L183-T194 HydrophobicContact CD2-CG2 3.91Å; L183-T194 HydrophobicContact CG-CG2 3.79Å; V190-T194 WeakPolarHBondContact O-CB 3.47Å; V190-T194 PolarHBondContact O-N 2.96Å; V190-T194 PolarHBondContact O-OG1 3.23Å; L191-T194 WeakPolarHBondContact O-CB 3.41Å; L191-T194 PolarHBondContact O-N 3.2Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 3.5Å; T194-L197 WeakPolarHBondContact O-CB 3.38Å; T194-L197 PolarHBondContact O-N 3.39Å; T194-I198 HydrophobicContact CG2-CD1 3.74Å; T194-I198 HydrophobicContact CG2-CG1 4.44Å; T194-I198 WeakPolarHBondContact O-CB 3.37Å; T194-I198 WeakPolarHBondContact O-CD1 3.4Å; T194-I198 VanDerWaalsContact O-CG1 3.23Å; T194-I198 WeakPolarHBondContact O-CG1 3.43Å; T194-I198 PolarHBondContact O-N 3.01Å |
| 195 | I | 96 | Very high | 92.9 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | 175.2 | -70.6 | 159.7 | 0 | 0 | 0 | 110.6 | L183 L191 L192 I198 Q199 L246 K249 I250 L253 | L183-I195 HydrophobicContact CD2-CG1 4.24Å; L191-I195 WeakPolarHBondContact O-CB 3.4Å; L191-I195 WeakPolarHBondContact O-CD1 3.05Å; L191-I195 VanDerWaalsContact O-CG1 3.27Å; L191-I195 WeakPolarHBondContact O-CG1 3.43Å; L191-I195 PolarHBondContact O-N 3.5Å; L192-I195 PolarHBondContact O-N 3.25Å; I195-I198 PolarHBondContact O-N 3.09Å; I195-Q199 VanDerWaalsContact O-CB 3.27Å; I195-Q199 WeakPolarHBondContact O-CB 3.33Å; I195-Q199 PolarHBondContact O-N 3.37Å; I195-L246 HydrophobicContact CD1-CD1 3.49Å; I195-L246 VanDerWaalsContact CD1-CD1 3.49Å; I195-K249 HydrophobicContact CG2-CB 4.02Å; I195-K249 WeakPolarHBondContact CG2-O 3.28Å; I195-I250 HydrophobicContact CD1-CD1 4.48Å; I195-I250 HydrophobicContact CD1-CG1 3.53Å; I195-L253 HydrophobicContact CB-CD2 4.44Å; I195-L253 HydrophobicContact CG1-CD2 4.3Å; I195-L253 HydrophobicContact CG2-CB 3.96Å; I195-L253 HydrophobicContact CG2-CD2 3.98Å |
| 196 | C | 95.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 17% | 0.169 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 173.3 | -69.5 | 0 | 0 | 0 | 0 | 112.2 | F162 L192 A193 Q199 E200 K249 | F162-C196 WeakPolarHBondContact CD2-O 3.3Å; L192-C196 PolarHBondContact O-N 2.97Å; L192-C196 VanDerWaalsContact O-N 3.09Å; L192-C196 PolarHBondContact O-SG 3.04Å; L192-C196 VanDerWaalsContact O-SG 3.38Å; A193-C196 PolarHBondContact O-N 2.71Å; C196-Q199 PolarHBondContact O-N 3.07Å; C196-E200 PolarHBondContact O-N 3.29Å; C196-K249 PolarHBondContact SG-NZ 3.07Å |
| 197 | L | 95.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -52.1 | 175.3 | 173.4 | 61.2 | 0 | 0 | 0 | 111.4 | A158 A161 F162 I165 T179 A193 T194 Q199 E200 M201 | A158-L197 HydrophobicContact CB-CD2 4.39Å; A161-L197 HydrophobicContact CB-CD1 4.18Å; A161-L197 HydrophobicContact CB-CD2 4.45Å; F162-L197 HydrophobicContact CB-CB 4.48Å; F162-L197 HydrophobicContact CB-CD1 4.2Å; I165-L197 HydrophobicContact CD1-CD1 3.6Å; T179-L197 HydrophobicContact CG2-CD2 4.29Å; A193-L197 WeakPolarHBondContact O-CB 3.16Å; A193-L197 PolarHBondContact O-N 3.47Å; T194-L197 WeakPolarHBondContact O-CB 3.38Å; T194-L197 PolarHBondContact O-N 3.39Å; L197-Q199 PolarHBondContact O-N 3.04Å; L197-E200 PolarHBondContact O-N 2.27Å; L197-M201 HydrophobicContact CD1-CG 4.39Å; L197-M201 HydrophobicContact CD1-SD 3.96Å; L197-M201 HydrophobicContact CG-SD 3.88Å; L197-M201 WeakPolarHBondContact O-CG 3.45Å; L197-M201 PolarHBondContact O-N 3.02Å; L197-M201 VanDerWaalsContact O-N 3.12Å |
| 198 | I | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | -178.7 | -66.3 | 164.9 | 0 | 0 | 0 | 111.5 | T179 L183 T194 I195 E200 M201 C202 F212 L216 L253 | T179-I198 HydrophobicContact CG2-CG1 3.93Å; L183-I198 HydrophobicContact CD1-CD1 3.46Å; L183-I198 VanDerWaalsContact CD1-CD1 3.46Å; L183-I198 HydrophobicContact CD2-CD1 4.19Å; L183-I198 HydrophobicContact CG-CD1 3.76Å; T194-I198 HydrophobicContact CG2-CD1 3.74Å; T194-I198 HydrophobicContact CG2-CG1 4.44Å; T194-I198 WeakPolarHBondContact O-CB 3.37Å; T194-I198 WeakPolarHBondContact O-CD1 3.4Å; T194-I198 VanDerWaalsContact O-CG1 3.23Å; T194-I198 WeakPolarHBondContact O-CG1 3.43Å; T194-I198 PolarHBondContact O-N 3.01Å; I195-I198 PolarHBondContact O-N 3.09Å; I198-E200 PolarHBondContact O-N 2.94Å; I198-M201 PolarHBondContact O-N 3.37Å; I198-C202 WeakPolarHBondContact O-CB 3.36Å; I198-C202 PolarHBondContact O-N 3.02Å; I198-C202 PolarHBondContact O-SG 2.92Å; I198-C202 VanDerWaalsContact O-SG 3.33Å; I198-F212 HydrophobicContact CG2-CD2 3.92Å; I198-F212 HydrophobicContact CG2-CE2 4.09Å; I198-F212 HydrophobicContact CG2-CG 4.4Å; I198-L216 HydrophobicContact CD1-CD1 3.85Å; I198-L216 HydrophobicContact CG1-CD1 4.49Å; I198-L216 HydrophobicContact CG2-CD1 3.69Å; I198-L253 HydrophobicContact CB-CD2 4.26Å; I198-L253 HydrophobicContact CG2-CD1 3.92Å; I198-L253 HydrophobicContact CG2-CD2 3.91Å |
| 199 | Q | 94.7 | Very high | 93.1 | Very high | 33 Ų | 33 | 30 Ų | 30 | 15% | 0.154 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.3 | -48 | 177.1 | -173 | -173.5 | -16.2 | 0 | 0 | 111 | I195 C196 L197 M201 C202 E203 L253 | I195-Q199 VanDerWaalsContact O-CB 3.27Å; I195-Q199 WeakPolarHBondContact O-CB 3.33Å; I195-Q199 PolarHBondContact O-N 3.37Å; C196-Q199 PolarHBondContact O-N 3.07Å; L197-Q199 PolarHBondContact O-N 3.04Å; Q199-M201 VanDerWaalsContact C-N 3.32Å; Q199-M201 PolarHBondContact O-N 3.19Å; Q199-C202 PolarHBondContact O-N 3.45Å; Q199-E203 VanDerWaalsContact CG-OE1 3.28Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.41Å; Q199-E203 PolarHBondContact NE2-OE1 3.4Å; Q199-E203 WeakPolarHBondContact O-CB 3.34Å; Q199-E203 WeakPolarHBondContact O-CG 3.32Å; Q199-E203 PolarHBondContact O-N 2.79Å; Q199-L253 HydrophobicContact CB-CD1 4.35Å |
| 200 | E | 94.5 | Very high | 92.9 | Very high | 26 Ų | 26 | 33.2 Ų | 33.2 | 12% | 0.121 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.2 | -38 | 176.8 | -170.4 | 75.1 | -144.2 | 0 | 0 | 112.3 | F162 I165 R166 C196 L197 I198 R204 | F162-E200 HydrophobicContact CD2-CB 3.62Å; F162-E200 HydrophobicContact CD2-CG 3.99Å; F162-E200 HydrophobicContact CE2-CB 3.66Å; F162-E200 HydrophobicContact CE2-CG 3.92Å; F162-E200 WeakPolarHBondContact CE2-OE2 3.48Å; F162-E200 WeakPolarHBondContact CZ-OE2 3.32Å; I165-E200 HydrophobicContact CG2-CG 4.45Å; R166-E200 VanDerWaalsContact CG-CD 3.47Å; R166-E200 HydrophobicContact CG-CG 3.93Å; R166-E200 WeakPolarHBondContact CG-OE1 3.23Å; C196-E200 PolarHBondContact O-N 3.29Å; L197-E200 PolarHBondContact O-N 2.27Å; I198-E200 PolarHBondContact O-N 2.94Å; E200-R204 WeakPolarHBondContact O-CB 3.26Å; E200-R204 VanDerWaalsContact O-CG 3.29Å; E200-R204 WeakPolarHBondContact O-CG 3.48Å; E200-R204 PolarHBondContact O-N 2.93Å; E200-R204 VanDerWaalsContact O-N 3.11Å; E200-R204 IonicContact OE1-CZ 3.04Å; E200-R204 IonicContact OE1-NE 3.93Å; E200-R204 PolarHBondContact OE1-NE 3.23Å; E200-R204 IonicContact OE1-NH2 2.62Å; E200-R204 PolarHBondContact OE1-NH2 2.98Å |
| 201 | M | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 176.8 | -64.3 | 168.7 | 96.7 | 0 | 0 | 111.9 | I165 M172 F175 I176 T179 L197 I198 Q199 R204 S205 T208 F212 | I165-M201 HydrophobicContact CD1-CE 4.2Å; I165-M201 HydrophobicContact CD1-CG 3.91Å; I165-M201 HydrophobicContact CD1-SD 4.27Å; M172-M201 HydrophobicContact CG-CB 4.37Å; M172-M201 HydrophobicContact CG-CE 3.53Å; M172-M201 HydrophobicContact CG-CG 3.93Å; M172-M201 WeakPolarHBondContact O-CE 3.47Å; M172-M201 HydrophobicContact SD-CB 3.71Å; M172-M201 HydrophobicContact SD-CE 4.49Å; M172-M201 HydrophobicContact SD-CG 3.82Å; F175-M201 HydrophobicContact CB-CE 4.13Å; I176-M201 HydrophobicContact CB-CE 4.26Å; I176-M201 HydrophobicContact CG1-CE 3.39Å; T179-M201 HydrophobicContact CG2-CE 4.28Å; T179-M201 HydrophobicContact CG2-SD 3.87Å; L197-M201 HydrophobicContact CD1-CG 4.39Å; L197-M201 HydrophobicContact CD1-SD 3.96Å; L197-M201 HydrophobicContact CG-SD 3.88Å; L197-M201 WeakPolarHBondContact O-CG 3.45Å; L197-M201 PolarHBondContact O-N 3.02Å; L197-M201 VanDerWaalsContact O-N 3.12Å; I198-M201 PolarHBondContact O-N 3.37Å; Q199-M201 VanDerWaalsContact C-N 3.32Å; Q199-M201 PolarHBondContact O-N 3.19Å; M201-R204 PolarHBondContact O-N 3.38Å; M201-S205 PolarHBondContact O-N 3.3Å; M201-S205 VanDerWaalsContact O-N 3.09Å; M201-T208 HydrophobicContact CB-CG2 3.98Å; M201-F212 HydrophobicContact CB-CE2 4.16Å; M201-F212 HydrophobicContact CE-CZ 4.49Å; M201-F212 HydrophobicContact SD-CE2 4.27Å; M201-F212 HydrophobicContact SD-CZ 4.41Å |
| 202 | C | 93.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 175.9 | -72 | 0 | 0 | 0 | 0 | 112.8 | I198 Q199 R204 L209 V256 | I198-C202 WeakPolarHBondContact O-CB 3.36Å; I198-C202 PolarHBondContact O-N 3.02Å; I198-C202 PolarHBondContact O-SG 2.92Å; I198-C202 VanDerWaalsContact O-SG 3.33Å; Q199-C202 PolarHBondContact O-N 3.45Å; C202-R204 VanDerWaalsContact C-N 3.3Å; C202-L209 HydrophobicContact CB-CB 4.13Å; C202-L209 HydrophobicContact CB-CD1 4.18Å; C202-L209 HydrophobicContact CB-CG 4.36Å; C202-V256 HydrophobicContact CB-CG1 3.77Å |
| 203 | E | 91.7 | Very high | 92.3 | Very high | 114 Ų | 114 | 37.7 Ų | 37.7 | 53% | 0.533 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -73.1 | -21.8 | 179.2 | -72.3 | 173 | -171 | 0 | 0 | 112.4 | Q199 V256 | Q199-E203 VanDerWaalsContact CG-OE1 3.28Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.41Å; Q199-E203 PolarHBondContact NE2-OE1 3.4Å; Q199-E203 WeakPolarHBondContact O-CB 3.34Å; Q199-E203 WeakPolarHBondContact O-CG 3.32Å; Q199-E203 PolarHBondContact O-N 2.79Å; E203-V256 HydrophobicContact CG-CG1 4.35Å |
| 204 | R | 91.6 | Very high | 91.7 | Very high | 99 Ų | 99 | 46.5 Ų | 46.5 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -91.3 | -34.8 | 177.4 | -74.7 | 178.4 | -176.3 | -88 | -21.5 | 115.4 | E200 M201 C202 | E200-R204 WeakPolarHBondContact O-CB 3.26Å; E200-R204 VanDerWaalsContact O-CG 3.29Å; E200-R204 WeakPolarHBondContact O-CG 3.48Å; E200-R204 PolarHBondContact O-N 2.93Å; E200-R204 VanDerWaalsContact O-N 3.11Å; E200-R204 IonicContact OE1-CZ 3.04Å; E200-R204 IonicContact OE1-NE 3.93Å; E200-R204 PolarHBondContact OE1-NE 3.23Å; E200-R204 IonicContact OE1-NH2 2.62Å; E200-R204 PolarHBondContact OE1-NH2 2.98Å; M201-R204 PolarHBondContact O-N 3.38Å; C202-R204 VanDerWaalsContact C-N 3.3Å |
| 205 | S | 90.9 | Very high | 91.1 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | trans | -131.2 | 119 | -176.6 | 169.3 | 0 | 0 | 0 | 0 | 112.3 | M172 M201 D207 T208 L209 | M172-S205 VanDerWaalsContact CE-CB 3.46Å; M201-S205 PolarHBondContact O-N 3.3Å; M201-S205 VanDerWaalsContact O-N 3.09Å; S205-D207 VanDerWaalsContact C-N 3.26Å; S205-D207 PolarHBondContact O-N 3.41Å; S205-D207 PolarHBondContact OG-N 3.43Å; S205-T208 WeakPolarHBondContact CB-OG1 3.45Å; S205-T208 PolarHBondContact O-N 3.11Å; S205-T208 PolarHBondContact OG-N 3.48Å; S205-T208 VanDerWaalsContact OG-N 3.17Å; S205-T208 PolarHBondContact OG-OG1 3.11Å; S205-T208 VanDerWaalsContact OG-OG1 3.13Å; S205-L209 WeakPolarHBondContact O-CB 3.24Å; S205-L209 PolarHBondContact O-N 3.23Å | ||
| 206 | P | 88.6 | Confident | 90.8 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.8 | -30.1 | 176 | 28.2 | -34.1 | 0 | 0 | 0 | 112.1 | L209 N210 | P206-L209 PolarHBondContact O-N 2.98Å; P206-N210 WeakPolarHBondContact O-CB 3.31Å; P206-N210 PolarHBondContact O-N 2.86Å; P206-N210 PolarHBondContact O-ND2 3.31Å; P206-N210 VanDerWaalsContact O-ND2 3.1Å |
| 207 | D | 88.6 | Confident | 90.7 | Very high | 121 Ų | 121 | 48.5 Ų | 48.5 | 65% | 0.647 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68.6 | -42 | 176.7 | -60.2 | -50.9 | 0 | 0 | 0 | 111.3 | S205 N210 Y211 | S205-D207 VanDerWaalsContact C-N 3.26Å; S205-D207 PolarHBondContact O-N 3.41Å; S205-D207 PolarHBondContact OG-N 3.43Å; D207-N210 PolarHBondContact O-N 2.85Å; D207-Y211 WeakPolarHBondContact O-CB 3.36Å; D207-Y211 PolarHBondContact O-N 2.91Å |
| 208 | T | 88.9 | Confident | 90.5 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 174.5 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | I176 M201 S205 Y211 F212 | I176-T208 HydrophobicContact CD1-CG2 3.93Å; I176-T208 HydrophobicContact CG1-CG2 4.23Å; M201-T208 HydrophobicContact CB-CG2 3.98Å; S205-T208 WeakPolarHBondContact CB-OG1 3.45Å; S205-T208 PolarHBondContact O-N 3.11Å; S205-T208 PolarHBondContact OG-N 3.48Å; S205-T208 VanDerWaalsContact OG-N 3.17Å; S205-T208 PolarHBondContact OG-OG1 3.11Å; S205-T208 VanDerWaalsContact OG-OG1 3.13Å; T208-Y211 PolarHBondContact O-N 3.38Å; T208-F212 HydrophobicContact CG2-CD2 3.67Å; T208-F212 HydrophobicContact CG2-CE2 3.34Å; T208-F212 HydrophobicContact CG2-CZ 4.15Å; T208-F212 WeakPolarHBondContact O-CB 3.29Å; T208-F212 VanDerWaalsContact O-CD2 3.28Å; T208-F212 WeakPolarHBondContact O-CD2 3.49Å; T208-F212 WeakPolarHBondContact O-CG 3.27Å; T208-F212 PolarHBondContact O-N 2.93Å |
| 209 | L | 90.7 | Very high | 90.3 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 171.7 | 177.3 | 153 | 0 | 0 | 0 | 111.9 | C202 S205 P206 Y211 F212 R213 V256 | C202-L209 HydrophobicContact CB-CB 4.13Å; C202-L209 HydrophobicContact CB-CD1 4.18Å; C202-L209 HydrophobicContact CB-CG 4.36Å; S205-L209 WeakPolarHBondContact O-CB 3.24Å; S205-L209 PolarHBondContact O-N 3.23Å; P206-L209 PolarHBondContact O-N 2.98Å; L209-Y211 PolarHBondContact O-N 2.61Å; L209-F212 PolarHBondContact O-N 3.43Å; L209-R213 HydrophobicContact CD2-CG 4.42Å; L209-R213 VanDerWaalsContact CD2-NE 3.32Å; L209-R213 WeakPolarHBondContact O-CG 3.22Å; L209-R213 PolarHBondContact O-N 3.35Å; L209-V256 HydrophobicContact CD1-CG1 3.97Å |
| 210 | N | 88.5 | Confident | 90.3 | Very high | 74 Ų | 74 | 52.4 Ų | 52.4 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 176.5 | -77.7 | -39.4 | 0 | 0 | 0 | 113.2 | P206 D207 R213 | P206-N210 WeakPolarHBondContact O-CB 3.31Å; P206-N210 PolarHBondContact O-N 2.86Å; P206-N210 PolarHBondContact O-ND2 3.31Å; P206-N210 VanDerWaalsContact O-ND2 3.1Å; D207-N210 PolarHBondContact O-N 2.85Å; N210-R213 PolarHBondContact OD1-NH1 2.98Å |
| 211 | Y | 88.5 | Confident | 90.3 | Very high | 115 Ų | 115 | 52.7 Ų | 52.7 | 45% | 0.451 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 173.2 | 177.7 | -94.1 | 0 | 0 | 0 | 111.8 | I176 D207 T208 L209 Q215 | I176-Y211 HydrophobicContact CG2-CD1 4.08Å; I176-Y211 HydrophobicContact CG2-CE1 3.73Å; D207-Y211 WeakPolarHBondContact O-CB 3.36Å; D207-Y211 PolarHBondContact O-N 2.91Å; T208-Y211 PolarHBondContact O-N 3.38Å; L209-Y211 PolarHBondContact O-N 2.61Å; Y211-Q215 VanDerWaalsContact CE2-NE2 3.3Å; Y211-Q215 PolarHBondContact OH-NE2 3.26Å |
| 212 | F | 90.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -75.1 | -35.2 | -177.3 | -76 | -38.2 | 0 | 0 | 0 | 114.2 | I176 T179 I198 M201 T208 L209 K214 Q215 L216 L257 | I176-F212 HydrophobicContact CG1-CZ 4.44Å; I176-F212 HydrophobicContact CG2-CE1 4.21Å; I176-F212 HydrophobicContact CG2-CZ 4.1Å; T179-F212 HydrophobicContact CG2-CZ 4.06Å; T179-F212 VanDerWaalsContact OG1-CE1 3.24Å; T179-F212 WeakPolarHBondContact OG1-CE1 3.5Å; T179-F212 WeakPolarHBondContact OG1-CZ 3.47Å; I198-F212 HydrophobicContact CG2-CD2 3.92Å; I198-F212 HydrophobicContact CG2-CE2 4.09Å; I198-F212 HydrophobicContact CG2-CG 4.4Å; M201-F212 HydrophobicContact CB-CE2 4.16Å; M201-F212 HydrophobicContact CE-CZ 4.49Å; M201-F212 HydrophobicContact SD-CE2 4.27Å; M201-F212 HydrophobicContact SD-CZ 4.41Å; T208-F212 HydrophobicContact CG2-CD2 3.67Å; T208-F212 HydrophobicContact CG2-CE2 3.34Å; T208-F212 HydrophobicContact CG2-CZ 4.15Å; T208-F212 WeakPolarHBondContact O-CB 3.29Å; T208-F212 VanDerWaalsContact O-CD2 3.28Å; T208-F212 WeakPolarHBondContact O-CD2 3.49Å; T208-F212 WeakPolarHBondContact O-CG 3.27Å; T208-F212 PolarHBondContact O-N 2.93Å; L209-F212 PolarHBondContact O-N 3.43Å; F212-K214 PolarHBondContact O-N 3.3Å; F212-Q215 PolarHBondContact O-N 2.86Å; F212-Q215 VanDerWaalsContact O-N 3.14Å; F212-L216 HydrophobicContact CB-CD1 3.71Å; F212-L216 HydrophobicContact CB-CG 3.92Å; F212-L216 HydrophobicContact CD1-CD1 3.52Å; F212-L216 HydrophobicContact CD1-CD2 4.26Å; F212-L216 HydrophobicContact CD1-CG 3.81Å; F212-L216 HydrophobicContact CD2-CD1 4.41Å; F212-L216 HydrophobicContact CE1-CD1 4.24Å; F212-L216 HydrophobicContact CG-CD1 3.64Å; F212-L216 HydrophobicContact CG-CG 4.14Å; F212-L216 WeakPolarHBondContact O-CB 3.47Å; F212-L216 WeakPolarHBondContact O-CG 3.39Å; F212-L216 PolarHBondContact O-N 2.93Å; F212-L257 HydrophobicContact CB-CD2 4.09Å |
| 213 | R | 89 | Confident | 90.1 | Very high | 29 Ų | 29 | 59 Ų | 59 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -43.3 | -59.1 | 177.2 | -84.3 | 172.8 | 172.4 | 167.7 | -11.9 | 112.9 | L209 N210 Q215 V217 L257 H259 G260 | L209-R213 HydrophobicContact CD2-CG 4.42Å; L209-R213 VanDerWaalsContact CD2-NE 3.32Å; L209-R213 WeakPolarHBondContact O-CG 3.22Å; L209-R213 PolarHBondContact O-N 3.35Å; N210-R213 PolarHBondContact OD1-NH1 2.98Å; R213-Q215 VanDerWaalsContact C-N 3.29Å; R213-Q215 PolarHBondContact O-N 3.22Å; R213-V217 VanDerWaalsContact O-CG2 3.25Å; R213-V217 WeakPolarHBondContact O-CG2 3.45Å; R213-V217 PolarHBondContact O-N 3.33Å; R213-L257 HydrophobicContact CG-CB 4.44Å; R213-L257 HydrophobicContact CG-CD2 4.23Å; R213-L257 WeakPolarHBondContact CG-O 3.28Å; R213-L257 PolarHBondContact NE-O 3.2Å; R213-H259 PolarHBondContact NH2-O 3.47Å; R213-G260 PolarHBondContact NH2-O 3.33Å |
| 214 | K | 82.7 | Confident | 90.1 | Very high | 187 Ų | 187 | 53.6 Ų | 53.6 | 81% | 0.813 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.6 | -28.5 | -174.6 | -64.4 | -179.2 | -179.3 | 177.4 | 0 | 114.1 | F212 | F212-K214 PolarHBondContact O-N 3.3Å |
| 215 | Q | 83.8 | Confident | 90.1 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 29% | 0.285 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -100.3 | -36.6 | -172.1 | -59.7 | -171.2 | 41.5 | 0 | 0 | 113.2 | Y211 F212 R213 | Y211-Q215 VanDerWaalsContact CE2-NE2 3.3Å; Y211-Q215 PolarHBondContact OH-NE2 3.26Å; F212-Q215 PolarHBondContact O-N 2.86Å; F212-Q215 VanDerWaalsContact O-N 3.14Å; R213-Q215 VanDerWaalsContact C-N 3.29Å; R213-Q215 PolarHBondContact O-N 3.22Å |
| 216 | L | 89.5 | Confident | 90.1 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -92.6 | -33.2 | -168.4 | -58 | -162.4 | 0 | 0 | 0 | 112.8 | L183 I198 F212 T219 L220 L257 | L183-L216 HydrophobicContact CD1-CB 4.47Å; L183-L216 HydrophobicContact CD1-CD1 3.78Å; L183-L216 HydrophobicContact CD1-CD2 3.61Å; L183-L216 HydrophobicContact CD1-CG 4.15Å; I198-L216 HydrophobicContact CD1-CD1 3.85Å; I198-L216 HydrophobicContact CG1-CD1 4.49Å; I198-L216 HydrophobicContact CG2-CD1 3.69Å; F212-L216 HydrophobicContact CB-CD1 3.71Å; F212-L216 HydrophobicContact CB-CG 3.92Å; F212-L216 HydrophobicContact CD1-CD1 3.52Å; F212-L216 HydrophobicContact CD1-CD2 4.26Å; F212-L216 HydrophobicContact CD1-CG 3.81Å; F212-L216 HydrophobicContact CD2-CD1 4.41Å; F212-L216 HydrophobicContact CE1-CD1 4.24Å; F212-L216 HydrophobicContact CG-CD1 3.64Å; F212-L216 HydrophobicContact CG-CG 4.14Å; F212-L216 WeakPolarHBondContact O-CB 3.47Å; F212-L216 WeakPolarHBondContact O-CG 3.39Å; F212-L216 PolarHBondContact O-N 2.93Å; L216-T219 CarbonylContact O-C 3.59Å; L216-T219 WeakPolarHBondContact O-CA 3.12Å; L216-T219 WeakPolarHBondContact O-CB 3.27Å; L216-T219 PolarHBondContact O-N 3.43Å; L216-L220 HydrophobicContact CB-CD1 4.47Å; L216-L220 WeakPolarHBondContact O-CG 3.35Å; L216-L220 PolarHBondContact O-N 3.35Å; L216-L257 HydrophobicContact CB-CD1 4.34Å |
| 217 | V | 92 | Very high | 90.1 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.1 | -50 | -177 | 174.4 | 0 | 0 | 0 | 0 | 112 | R213 T219 L220 V221 L257 A267 M268 | R213-V217 VanDerWaalsContact O-CG2 3.25Å; R213-V217 WeakPolarHBondContact O-CG2 3.45Å; R213-V217 PolarHBondContact O-N 3.33Å; V217-T219 VanDerWaalsContact C-N 3.25Å; V217-T219 PolarHBondContact O-N 2.89Å; V217-L220 PolarHBondContact O-N 2.87Å; V217-V221 HydrophobicContact CG1-CG2 4.17Å; V217-V221 WeakPolarHBondContact O-CB 3.44Å; V217-V221 WeakPolarHBondContact O-CG2 3.4Å; V217-V221 PolarHBondContact O-N 3.46Å; V217-L257 HydrophobicContact CG2-CB 4.09Å; V217-L257 HydrophobicContact CG2-CD1 4.01Å; V217-A267 HydrophobicContact CG1-CB 4.11Å; V217-M268 HydrophobicContact CB-CE 4.17Å; V217-M268 HydrophobicContact CG1-CE 3.61Å; V217-M268 HydrophobicContact CG1-CG 3.86Å; V217-M268 HydrophobicContact CG2-CE 3.45Å; V217-M268 VanDerWaalsContact CG2-CE 3.45Å |
| 218 | P | 91.7 | Very high | 90 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62 | -31.1 | 176.2 | -22.6 | 34.5 | 0 | 0 | 0 | 113.9 | R222 | P218-R222 WeakPolarHBondContact O-CB 3.19Å; P218-R222 PolarHBondContact O-N 3.27Å; P218-R222 VanDerWaalsContact O-N 3.11Å |
| 219 | T | 92.2 | Very high | 89.7 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.3 | -44.3 | 177.5 | -69.3 | 0 | 0 | 0 | 0 | 111.4 | L183 L216 V217 R222 T223 | L183-T219 HydrophobicContact CB-CG2 4.17Å; L216-T219 CarbonylContact O-C 3.59Å; L216-T219 WeakPolarHBondContact O-CA 3.12Å; L216-T219 WeakPolarHBondContact O-CB 3.27Å; L216-T219 PolarHBondContact O-N 3.43Å; V217-T219 VanDerWaalsContact C-N 3.25Å; V217-T219 PolarHBondContact O-N 2.89Å; T219-R222 PolarHBondContact O-N 3.3Å; T219-T223 PolarHBondContact O-N 3.26Å; T219-T223 PolarHBondContact O-OG1 3.12Å; T219-T223 VanDerWaalsContact O-OG1 3.11Å |
| 220 | L | 94.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 176.8 | -66.6 | 173.8 | 0 | 0 | 0 | 111.4 | L183 L216 V217 R222 T223 L224 I250 L253 M254 L257 | L183-L220 HydrophobicContact CD2-CD2 4.34Å; L216-L220 HydrophobicContact CB-CD1 4.47Å; L216-L220 WeakPolarHBondContact O-CG 3.35Å; L216-L220 PolarHBondContact O-N 3.35Å; V217-L220 PolarHBondContact O-N 2.87Å; L220-R222 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 2.99Å; L220-T223 PolarHBondContact O-N 3.4Å; L220-L224 WeakPolarHBondContact O-CB 3.12Å; L220-L224 PolarHBondContact O-N 3.37Å; L220-I250 HydrophobicContact CB-CG2 4.08Å; L220-I250 HydrophobicContact CD2-CG1 4.41Å; L220-I250 HydrophobicContact CD2-CG2 4.28Å; L220-L253 HydrophobicContact CD1-CD2 3.76Å; L220-L253 HydrophobicContact CD1-CG 3.95Å; L220-L253 HydrophobicContact CD2-CD2 4.26Å; L220-M254 HydrophobicContact CB-CG 4.32Å; L220-M254 HydrophobicContact CB-SD 4.5Å; L220-M254 HydrophobicContact CD1-CG 4.23Å; L220-L257 HydrophobicContact CD1-CD1 3.64Å |
| 221 | V | 94.1 | Very high | 87.6 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.6 | -49.2 | 173.5 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | V217 L224 K225 M254 I271 | V217-V221 HydrophobicContact CG1-CG2 4.17Å; V217-V221 WeakPolarHBondContact O-CB 3.44Å; V217-V221 WeakPolarHBondContact O-CG2 3.4Å; V217-V221 PolarHBondContact O-N 3.46Å; V221-L224 PolarHBondContact O-N 3.33Å; V221-K225 VanDerWaalsContact O-CB 3.3Å; V221-K225 WeakPolarHBondContact O-CB 3.35Å; V221-K225 PolarHBondContact O-N 3.25Å; V221-M254 HydrophobicContact CG2-CE 4.19Å; V221-I271 HydrophobicContact CB-CG2 4.3Å; V221-I271 HydrophobicContact CG1-CB 4.08Å; V221-I271 HydrophobicContact CG1-CG2 3.99Å; V221-I271 HydrophobicContact CG2-CG2 3.84Å |
| 222 | R | 92 | Very high | 86.4 | Confident | 118 Ų | 118 | 58.2 Ų | 58.2 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 177.8 | -179.7 | -179.8 | 50.6 | 61.5 | 1.9 | 112.6 | P218 T219 L220 K225 N226 | P218-R222 WeakPolarHBondContact O-CB 3.19Å; P218-R222 PolarHBondContact O-N 3.27Å; P218-R222 VanDerWaalsContact O-N 3.11Å; T219-R222 PolarHBondContact O-N 3.3Å; L220-R222 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 2.99Å; R222-K225 PolarHBondContact O-N 3.2Å; R222-N226 VanDerWaalsContact O-CG 3.27Å; R222-N226 PolarHBondContact O-N 2.9Å; R222-N226 PolarHBondContact O-OD1 2.97Å |
| 223 | T | 91.6 | Very high | 85.6 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 178.7 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | L191 T219 L220 N226 L227 I250 | L191-T223 HydrophobicContact CD1-CG2 4.22Å; T219-T223 PolarHBondContact O-N 3.26Å; T219-T223 PolarHBondContact O-OG1 3.12Å; T219-T223 VanDerWaalsContact O-OG1 3.11Å; L220-T223 PolarHBondContact O-N 3.4Å; T223-N226 PolarHBondContact O-N 3.28Å; T223-L227 WeakPolarHBondContact O-CG 3.38Å; T223-L227 PolarHBondContact O-N 3.13Å; T223-L227 VanDerWaalsContact O-N 3.1Å; T223-I250 HydrophobicContact CG2-CD1 3.86Å |
| 224 | L | 92.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 177.1 | -172.5 | 55 | 0 | 0 | 0 | 111.9 | L220 V221 N226 L227 I228 Q247 I250 L251 M254 I271 V275 | L220-L224 WeakPolarHBondContact O-CB 3.12Å; L220-L224 PolarHBondContact O-N 3.37Å; V221-L224 PolarHBondContact O-N 3.33Å; L224-N226 VanDerWaalsContact C-N 3.31Å; L224-N226 PolarHBondContact O-N 3.42Å; L224-L227 PolarHBondContact O-N 3.3Å; L224-I228 HydrophobicContact CD1-CD1 4.25Å; L224-I228 HydrophobicContact CG-CD1 4.07Å; L224-I228 WeakPolarHBondContact O-CD1 3.34Å; L224-I228 WeakPolarHBondContact O-CG1 3.32Å; L224-I228 PolarHBondContact O-N 3.22Å; L224-Q247 HydrophobicContact CD1-CB 4.14Å; L224-Q247 HydrophobicContact CD1-CG 3.92Å; L224-I250 HydrophobicContact CB-CG2 4.2Å; L224-I250 HydrophobicContact CD2-CG2 4.12Å; L224-L251 HydrophobicContact CD2-CD2 4.04Å; L224-L251 HydrophobicContact CD2-CG 4.39Å; L224-M254 HydrophobicContact CD2-SD 3.87Å; L224-I271 HydrophobicContact CB-CG1 4.24Å; L224-I271 HydrophobicContact CD2-CG1 3.95Å; L224-I271 HydrophobicContact CG-CD1 4.41Å; L224-I271 HydrophobicContact CG-CG1 4.06Å; L224-V275 HydrophobicContact CD1-CG2 4.49Å; L224-V275 HydrophobicContact CD2-CG2 3.83Å; L224-V275 HydrophobicContact CG-CG2 4Å |
| 225 | K | 91.5 | Very high | 84.5 | Confident | 95 Ų | 95 | 59.9 Ų | 59.9 | 41% | 0.413 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 174.2 | -170.5 | 168.5 | -173.8 | 167.9 | 0 | 112.3 | V221 R222 I228 M229 I271 | V221-K225 VanDerWaalsContact O-CB 3.3Å; V221-K225 WeakPolarHBondContact O-CB 3.35Å; V221-K225 PolarHBondContact O-N 3.25Å; R222-K225 PolarHBondContact O-N 3.2Å; K225-I228 PolarHBondContact O-N 3.08Å; K225-M229 HydrophobicContact CD-SD 4.15Å; K225-M229 WeakPolarHBondContact CE-SD 3.17Å; K225-M229 HydrophobicContact CG-CG 4.26Å; K225-M229 HydrophobicContact CG-SD 3.65Å; K225-M229 WeakPolarHBondContact O-CB 3.5Å; K225-M229 WeakPolarHBondContact O-CG 2.96Å; K225-M229 PolarHBondContact O-N 3.38Å; K225-I271 HydrophobicContact CB-CD1 3.83Å; K225-I271 HydrophobicContact CG-CD1 4.37Å |
| 226 | N | 89.9 | Confident | 84.5 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 176.7 | -72.5 | 1.4 | 0 | 0 | 0 | 112.3 | R222 T223 L224 I228 T230 G231 | R222-N226 VanDerWaalsContact O-CG 3.27Å; R222-N226 PolarHBondContact O-N 2.9Å; R222-N226 PolarHBondContact O-OD1 2.97Å; T223-N226 PolarHBondContact O-N 3.28Å; L224-N226 VanDerWaalsContact C-N 3.31Å; L224-N226 PolarHBondContact O-N 3.42Å; N226-I228 VanDerWaalsContact C-N 3.29Å; N226-I228 PolarHBondContact O-N 3.3Å; N226-T230 WeakPolarHBondContact CA-OG1 3.42Å; N226-T230 CarbonylContact O-C 3.53Å; N226-T230 WeakPolarHBondContact O-CA 3.14Å; N226-T230 PolarHBondContact O-N 3.11Å; N226-T230 PolarHBondContact O-OG1 3.43Å; N226-G231 WeakPolarHBondContact O-CA 3.5Å; N226-G231 PolarHBondContact O-N 2.79Å |
| 227 | L | 89.3 | Confident | 84.2 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 176.7 | -69.5 | 168.4 | 0 | 0 | 0 | 112.4 | T223 L224 G231 S242 D243 L246 Q247 I250 | T223-L227 WeakPolarHBondContact O-CG 3.38Å; T223-L227 PolarHBondContact O-N 3.13Å; T223-L227 VanDerWaalsContact O-N 3.1Å; L224-L227 PolarHBondContact O-N 3.3Å; L227-G231 WeakPolarHBondContact O-CA 3.3Å; L227-G231 PolarHBondContact O-N 3.07Å; L227-S242 VanDerWaalsContact O-CB 3.24Å; L227-S242 WeakPolarHBondContact O-CB 3.4Å; L227-S242 PolarHBondContact O-OG 3.2Å; L227-S242 VanDerWaalsContact O-OG 3.12Å; L227-D243 HydrophobicContact CD2-CB 4.49Å; L227-L246 HydrophobicContact CD1-CB 4.43Å; L227-L246 HydrophobicContact CD1-CD2 3.88Å; L227-L246 HydrophobicContact CD1-CG 3.9Å; L227-L246 HydrophobicContact CD2-CD2 4.28Å; L227-Q247 HydrophobicContact CB-CG 4.31Å; L227-Q247 HydrophobicContact CD1-CG 3.93Å; L227-I250 HydrophobicContact CD1-CD1 3.96Å |
| 228 | I | 86.7 | Confident | 83.8 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 20% | 0.2 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -81.5 | -45.9 | -178.1 | -60.6 | 155.2 | 0 | 0 | 0 | 111.9 | L224 K225 N226 I271 V275 N278 | L224-I228 HydrophobicContact CD1-CD1 4.25Å; L224-I228 HydrophobicContact CG-CD1 4.07Å; L224-I228 WeakPolarHBondContact O-CD1 3.34Å; L224-I228 WeakPolarHBondContact O-CG1 3.32Å; L224-I228 PolarHBondContact O-N 3.22Å; K225-I228 PolarHBondContact O-N 3.08Å; N226-I228 VanDerWaalsContact C-N 3.29Å; N226-I228 PolarHBondContact O-N 3.3Å; I228-I271 HydrophobicContact CD1-CD1 4.01Å; I228-V275 HydrophobicContact CD1-CB 3.8Å; I228-V275 HydrophobicContact CD1-CG1 3.63Å; I228-V275 HydrophobicContact CD1-CG2 3.33Å; I228-V275 HydrophobicContact CG1-CG1 4.2Å; I228-N278 HydrophobicContact CG2-CB 3.89Å |
| 229 | M | 81.9 | Confident | 83.4 | Confident | 121 Ų | 121 | 65.4 Ų | 65.4 | 60% | 0.596 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -85.8 | -37.9 | -172.9 | -66.2 | -174.7 | 66.3 | 0 | 0 | 113.8 | K225 Q274 | K225-M229 HydrophobicContact CD-SD 4.15Å; K225-M229 WeakPolarHBondContact CE-SD 3.17Å; K225-M229 HydrophobicContact CG-CG 4.26Å; K225-M229 HydrophobicContact CG-SD 3.65Å; K225-M229 WeakPolarHBondContact O-CB 3.5Å; K225-M229 WeakPolarHBondContact O-CG 2.96Å; K225-M229 PolarHBondContact O-N 3.38Å; M229-Q274 VanDerWaalsContact CG-NE2 3.34Å; M229-Q274 PolarHBondContact SD-NE2 3.27Å; M229-Q274 VanDerWaalsContact SD-NE2 3.4Å |
| 230 | T | 71.1 | Confident | 82.8 | Confident | 102 Ų | 102 | 72 Ų | 72 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | -3.2 | -169.6 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | N226 Y232 | N226-T230 WeakPolarHBondContact CA-OG1 3.42Å; N226-T230 CarbonylContact O-C 3.53Å; N226-T230 WeakPolarHBondContact O-CA 3.14Å; N226-T230 PolarHBondContact O-N 3.11Å; N226-T230 PolarHBondContact O-OG1 3.43Å; T230-Y232 PolarHBondContact O-N 3.24Å |
| 231 | G | 63.9 | Low | 82.4 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | trans | -75.7 | 27.2 | -152.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | N226 L227 S233 S242 | N226-G231 WeakPolarHBondContact O-CA 3.5Å; N226-G231 PolarHBondContact O-N 2.79Å; L227-G231 WeakPolarHBondContact O-CA 3.3Å; L227-G231 PolarHBondContact O-N 3.07Å; G231-S233 VanDerWaalsContact C-N 3.34Å; G231-S233 PolarHBondContact O-N 3.41Å; G231-S242 WeakPolarHBondContact O-CB 3.37Å; G231-S242 PolarHBondContact O-OG 3.45Å; G231-S242 VanDerWaalsContact O-OG 3.06Å | ||
| 232 | Y | 63.6 | Low | 82.1 | Confident | 193 Ų | 193 | 72.2 Ų | 72.2 | 76% | 0.757 | 36% | 0.364 | S | S | * | . | trans | -61.4 | 95.1 | 175.4 | -171 | -99.2 | 0 | 0 | 0 | 110.7 | T230 P234 | T230-Y232 PolarHBondContact O-N 3.24Å; Y232-P234 HydrophobicContact CE1-CB 4.32Å; Y232-P234 HydrophobicContact CE1-CG 4.23Å | ||
| 233 | S | 73.5 | Confident | 82 | Confident | 27 Ų | 27 | 67 Ų | 67 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | trans | -123.8 | 93.2 | 176.6 | -168.8 | 0 | 0 | 0 | 0 | 107.2 | G231 D235 H236 D237 | G231-S233 VanDerWaalsContact C-N 3.34Å; G231-S233 PolarHBondContact O-N 3.41Å; S233-D235 PolarHBondContact O-N 2.86Å; S233-D235 VanDerWaalsContact O-N 3.17Å; S233-H236 CarbonylContact O-C 3.58Å; S233-H236 PolarHBondContact O-N 2.7Å; S233-H236 PolarHBondContact OG-ND1 2.74Å; S233-D237 PolarHBondContact O-N 2.64Å | ||
| 234 | P | 70.8 | Confident | 82.1 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -61.9 | -27.9 | -169.9 | 23.7 | -35 | 0 | 0 | 0 | 112.8 | Y232 H236 | Y232-P234 HydrophobicContact CE1-CB 4.32Å; Y232-P234 HydrophobicContact CE1-CG 4.23Å; P234-H236 PolarHBondContact O-N 3.3Å |
| 235 | D | 79.3 | Confident | 82.1 | Confident | 147 Ų | 147 | 73 Ų | 73 | 79% | 0.786 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -71.1 | -14.6 | 175.9 | -55.6 | -52.6 | 0 | 0 | 0 | 113.9 | S233 | S233-D235 PolarHBondContact O-N 2.86Å; S233-D235 VanDerWaalsContact O-N 3.17Å |
| 236 | H | 83.5 | Confident | 82.2 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -127 | 9.5 | -177.3 | -48.2 | 99.4 | 0 | 0 | 0 | 112.7 | H188 S233 P234 D243 | H188-H236 AromaticContact CG-CE1 3.98Å; H188-H236 AromaticContact CG-ND1 3.96Å; H188-H236 AromaticContact ND1-CG 3.65Å; H188-H236 AromaticContact ND1-ND1 3.64Å; S233-H236 CarbonylContact O-C 3.58Å; S233-H236 PolarHBondContact O-N 2.7Å; S233-H236 PolarHBondContact OG-ND1 2.74Å; P234-H236 PolarHBondContact O-N 3.3Å; H236-D243 HydrophobicContact CB-CB 3.85Å; H236-D243 IonicContact CD2-OD2 3.95Å; H236-D243 VanDerWaalsContact O-CA 3.3Å; H236-D243 WeakPolarHBondContact O-CA 3.31Å; H236-D243 PolarHBondContact O-N 3.14Å |
| 237 | D | 83.7 | Confident | 82.5 | Confident | 64 Ų | 64 | 65.1 Ų | 65.1 | 34% | 0.342 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 129.3 | 175.5 | -174.7 | 77.6 | 0 | 0 | 0 | 110.2 | S233 K240 I241 | S233-D237 PolarHBondContact O-N 2.64Å; D237-K240 WeakPolarHBondContact OD1-CA 3.4Å; D237-K240 PolarHBondContact OD1-N 3.46Å; D237-K240 VanDerWaalsContact OD2-CA 3.32Å; D237-K240 WeakPolarHBondContact OD2-CA 3.32Å; D237-K240 PolarHBondContact OD2-N 3.47Å; D237-I241 PolarHBondContact OD1-N 3.05Å; D237-I241 VanDerWaalsContact OD1-N 3.1Å |
| 238 | V | 83 | Confident | 82.8 | Confident | 46 Ų | 46 | 65.9 Ų | 65.9 | 28% | 0.279 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 103 | 172.4 | -172 | 0 | 0 | 0 | 0 | 108.1 | I241 P244 F245 V285 | V238-I241 PolarHBondContact N-O 2.82Å; V238-I241 PolarHBondContact O-N 3.47Å; V238-P244 HydrophobicContact CB-CG 3.84Å; V238-P244 HydrophobicContact CG1-CG 4.5Å; V238-P244 HydrophobicContact CG2-CG 3.89Å; V238-F245 HydrophobicContact CG2-CE2 4.28Å; V238-V285 HydrophobicContact CG1-CG2 3.93Å |
| 239 | N | 82.6 | Confident | 83.3 | Confident | 97 Ų | 97 | 66.6 Ų | 66.6 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 46.9 | -178 | -59.3 | -35.2 | 0 | 0 | 0 | 114 | I241 K283 | N239-I241 VanDerWaalsContact C-N 3.28Å; N239-I241 PolarHBondContact O-N 3.46Å; N239-K283 HydrophobicContact CB-CD 3.58Å; N239-K283 WeakPolarHBondContact O-CD 3.38Å; N239-K283 WeakPolarHBondContact O-CE 3.33Å; N239-K283 PolarHBondContact O-NZ 3.2Å |
| 240 | K | 80.6 | Confident | 84 | Confident | 175 Ų | 175 | 60.9 Ų | 60.9 | 76% | 0.761 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 15.9 | -177.1 | -47 | -177.8 | -178.9 | -179.5 | 0 | 115 | D237 | D237-K240 WeakPolarHBondContact OD1-CA 3.4Å; D237-K240 PolarHBondContact OD1-N 3.46Å; D237-K240 VanDerWaalsContact OD2-CA 3.32Å; D237-K240 WeakPolarHBondContact OD2-CA 3.32Å; D237-K240 PolarHBondContact OD2-N 3.47Å |
| 241 | I | 84.8 | Confident | 85.2 | Confident | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.3 | 175.4 | -60 | 179.2 | 0 | 0 | 0 | 109.2 | D237 V238 N239 D243 P244 E280 V285 I289 | D237-I241 PolarHBondContact OD1-N 3.05Å; D237-I241 VanDerWaalsContact OD1-N 3.1Å; V238-I241 PolarHBondContact N-O 2.82Å; V238-I241 PolarHBondContact O-N 3.47Å; N239-I241 VanDerWaalsContact C-N 3.28Å; N239-I241 PolarHBondContact O-N 3.46Å; I241-D243 PolarHBondContact O-N 2.91Å; I241-P244 HydrophobicContact CG2-CB 4.44Å; I241-E280 HydrophobicContact CD1-CB 4.47Å; I241-V285 HydrophobicContact CB-CG1 4.17Å; I241-V285 HydrophobicContact CD1-CB 4.14Å; I241-V285 HydrophobicContact CD1-CG1 3.95Å; I241-V285 HydrophobicContact CG2-CG1 4.33Å; I241-I289 HydrophobicContact CG2-CD1 3.61Å |
| 242 | S | 87.4 | Confident | 86.9 | Confident | 23 Ų | 23 | 60 Ų | 60 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 105.6 | -179.6 | -43.9 | 0 | 0 | 0 | 0 | 112.9 | L227 G231 Q247 | L227-S242 VanDerWaalsContact O-CB 3.24Å; L227-S242 WeakPolarHBondContact O-CB 3.4Å; L227-S242 PolarHBondContact O-OG 3.2Å; L227-S242 VanDerWaalsContact O-OG 3.12Å; G231-S242 WeakPolarHBondContact O-CB 3.37Å; G231-S242 PolarHBondContact O-OG 3.45Å; G231-S242 VanDerWaalsContact O-OG 3.06Å; S242-Q247 PolarHBondContact O-NE2 3.14Å |
| 243 | D | 91.4 | Very high | 88.4 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | 37.8 | 72.6 | 176.6 | -160.6 | -23.2 | 0 | 0 | 0 | 114.9 | H188 L227 H236 I241 F245 L246 Q247 | H188-D243 WeakPolarHBondContact CB-OD2 3.18Å; H188-D243 IonicContact CE1-OD2 2.74Å; H188-D243 IonicContact CG-OD2 3.19Å; H188-D243 WeakPolarHBondContact ND1-CB 3.11Å; H188-D243 IonicContact ND1-OD2 2.68Å; H188-D243 PolarHBondContact ND1-OD2 3.38Å; L227-D243 HydrophobicContact CD2-CB 4.49Å; H236-D243 HydrophobicContact CB-CB 3.85Å; H236-D243 IonicContact CD2-OD2 3.95Å; H236-D243 VanDerWaalsContact O-CA 3.3Å; H236-D243 WeakPolarHBondContact O-CA 3.31Å; H236-D243 PolarHBondContact O-N 3.14Å; I241-D243 PolarHBondContact O-N 2.91Å; D243-F245 PolarHBondContact O-N 3.23Å; D243-F245 PolarHBondContact OD1-N 3.35Å; D243-L246 HydrophobicContact CB-CB 4.02Å; D243-L246 PolarHBondContact O-N 3.08Å; D243-L246 WeakPolarHBondContact OD1-CB 3.44Å; D243-L246 PolarHBondContact OD1-N 2.68Å; D243-L246 WeakPolarHBondContact OD2-CB 3.28Å; D243-Q247 PolarHBondContact O-N 3.34Å | ||
| 244 | P | 92.3 | Very high | 89.5 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -28.2 | -179.6 | 29.6 | -39.4 | 0 | 0 | 0 | 112.8 | V238 I241 Q247 V248 V285 I289 | V238-P244 HydrophobicContact CB-CG 3.84Å; V238-P244 HydrophobicContact CG1-CG 4.5Å; V238-P244 HydrophobicContact CG2-CG 3.89Å; I241-P244 HydrophobicContact CG2-CB 4.44Å; P244-Q247 PolarHBondContact O-N 3.45Å; P244-V248 WeakPolarHBondContact O-CB 3.41Å; P244-V248 VanDerWaalsContact O-CG2 3.32Å; P244-V248 WeakPolarHBondContact O-CG2 3.44Å; P244-V248 PolarHBondContact O-N 2.85Å; P244-V285 HydrophobicContact CB-CG1 3.4Å; P244-V285 HydrophobicContact CG-CG1 3.53Å; P244-I289 HydrophobicContact CB-CD1 3.79Å; P244-I289 HydrophobicContact CB-CG1 4.17Å |
| 245 | F | 93.8 | Very high | 90.7 | Very high | 138 Ų | 138 | 48.9 Ų | 48.9 | 61% | 0.605 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.6 | -42.4 | 178.7 | -62.8 | -76.4 | 0 | 0 | 0 | 110.9 | V238 D243 K249 | V238-F245 HydrophobicContact CG2-CE2 4.28Å; D243-F245 PolarHBondContact O-N 3.23Å; D243-F245 PolarHBondContact OD1-N 3.35Å; F245-K249 VanDerWaalsContact O-CB 3.29Å; F245-K249 WeakPolarHBondContact O-CB 3.26Å; F245-K249 WeakPolarHBondContact O-CG 3.36Å; F245-K249 PolarHBondContact O-N 3.25Å |
| 246 | L | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | 174.3 | -178.5 | 57.3 | 0 | 0 | 0 | 111.3 | H188 L191 L192 I195 L227 D243 K249 I250 | H188-L246 HydrophobicContact CB-CD2 4.04Å; L191-L246 HydrophobicContact CB-CD1 3.91Å; L191-L246 HydrophobicContact CB-CD2 4.4Å; L191-L246 HydrophobicContact CD1-CD2 4.1Å; L192-L246 HydrophobicContact CD2-CB 4.11Å; L192-L246 HydrophobicContact CD2-CD1 4.12Å; L192-L246 HydrophobicContact CG-CB 4.32Å; L192-L246 HydrophobicContact CG-CD1 4.12Å; I195-L246 HydrophobicContact CD1-CD1 3.49Å; I195-L246 VanDerWaalsContact CD1-CD1 3.49Å; L227-L246 HydrophobicContact CD1-CB 4.43Å; L227-L246 HydrophobicContact CD1-CD2 3.88Å; L227-L246 HydrophobicContact CD1-CG 3.9Å; L227-L246 HydrophobicContact CD2-CD2 4.28Å; D243-L246 HydrophobicContact CB-CB 4.02Å; D243-L246 PolarHBondContact O-N 3.08Å; D243-L246 WeakPolarHBondContact OD1-CB 3.44Å; D243-L246 PolarHBondContact OD1-N 2.68Å; D243-L246 WeakPolarHBondContact OD2-CB 3.28Å; L246-K249 PolarHBondContact O-N 3.13Å; L246-I250 HydrophobicContact CD1-CD1 3.99Å; L246-I250 HydrophobicContact CD1-CG1 4.09Å; L246-I250 HydrophobicContact CG-CD1 3.91Å; L246-I250 HydrophobicContact CG-CG1 4.44Å; L246-I250 VanDerWaalsContact O-CG1 3.26Å; L246-I250 WeakPolarHBondContact O-CG1 3.37Å; L246-I250 PolarHBondContact O-N 3.14Å |
| 247 | Q | 94.7 | Very high | 92 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.8 | -53 | 174.9 | -67.5 | -169.4 | 51.6 | 0 | 0 | 112 | L224 L227 S242 D243 P244 K249 I250 L251 I289 | L224-Q247 HydrophobicContact CD1-CB 4.14Å; L224-Q247 HydrophobicContact CD1-CG 3.92Å; L227-Q247 HydrophobicContact CB-CG 4.31Å; L227-Q247 HydrophobicContact CD1-CG 3.93Å; S242-Q247 PolarHBondContact O-NE2 3.14Å; D243-Q247 PolarHBondContact O-N 3.34Å; P244-Q247 PolarHBondContact O-N 3.45Å; Q247-K249 VanDerWaalsContact C-N 3.3Å; Q247-K249 PolarHBondContact O-N 3.37Å; Q247-I250 PolarHBondContact O-N 3.12Å; Q247-L251 WeakPolarHBondContact O-CD1 3.46Å; Q247-L251 VanDerWaalsContact O-CG 3.28Å; Q247-L251 WeakPolarHBondContact O-CG 3.46Å; Q247-L251 PolarHBondContact O-N 3.25Å; Q247-I289 HydrophobicContact CB-CD1 4.45Å; Q247-I289 HydrophobicContact CB-CG1 4.29Å |
| 248 | V | 96.5 | Very high | 92.4 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.6 | -40.3 | 177.4 | 167.3 | 0 | 0 | 0 | 0 | 111.6 | P244 L251 R252 I289 E292 | P244-V248 WeakPolarHBondContact O-CB 3.41Å; P244-V248 VanDerWaalsContact O-CG2 3.32Å; P244-V248 WeakPolarHBondContact O-CG2 3.44Å; P244-V248 PolarHBondContact O-N 2.85Å; V248-L251 PolarHBondContact O-N 3.29Å; V248-R252 WeakPolarHBondContact O-CG 3.37Å; V248-R252 PolarHBondContact O-N 3.1Å; V248-I289 HydrophobicContact CG2-CG1 4.05Å; V248-E292 HydrophobicContact CG1-CB 4.29Å; V248-E292 HydrophobicContact CG1-CG 4.01Å; V248-E292 HydrophobicContact CG2-CB 4.3Å |
| 249 | K | 96.1 | Very high | 92.9 | Very high | 55 Ų | 55 | 41 Ų | 41 | 24% | 0.239 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 177.4 | -82.7 | -77.2 | 178.5 | 172.5 | 0 | 113 | L192 I195 C196 F245 L246 Q247 R252 L253 | L192-K249 HydrophobicContact CD2-CB 3.98Å; L192-K249 HydrophobicContact CD2-CG 3.89Å; I195-K249 HydrophobicContact CG2-CB 4.02Å; I195-K249 WeakPolarHBondContact CG2-O 3.28Å; C196-K249 PolarHBondContact SG-NZ 3.07Å; F245-K249 VanDerWaalsContact O-CB 3.29Å; F245-K249 WeakPolarHBondContact O-CB 3.26Å; F245-K249 WeakPolarHBondContact O-CG 3.36Å; F245-K249 PolarHBondContact O-N 3.25Å; L246-K249 PolarHBondContact O-N 3.13Å; Q247-K249 VanDerWaalsContact C-N 3.3Å; Q247-K249 PolarHBondContact O-N 3.37Å; K249-R252 PolarHBondContact O-N 2.81Å; K249-L253 PolarHBondContact O-N 3.41Å; K249-L253 VanDerWaalsContact O-N 3.16Å |
| 250 | I | 97.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 173.2 | -68.9 | 166.9 | 0 | 0 | 0 | 110 | I195 L220 T223 L224 L227 L246 Q247 R252 L253 M254 | I195-I250 HydrophobicContact CD1-CD1 4.48Å; I195-I250 HydrophobicContact CD1-CG1 3.53Å; L220-I250 HydrophobicContact CB-CG2 4.08Å; L220-I250 HydrophobicContact CD2-CG1 4.41Å; L220-I250 HydrophobicContact CD2-CG2 4.28Å; T223-I250 HydrophobicContact CG2-CD1 3.86Å; L224-I250 HydrophobicContact CB-CG2 4.2Å; L224-I250 HydrophobicContact CD2-CG2 4.12Å; L227-I250 HydrophobicContact CD1-CD1 3.96Å; L246-I250 HydrophobicContact CD1-CD1 3.99Å; L246-I250 HydrophobicContact CD1-CG1 4.09Å; L246-I250 HydrophobicContact CG-CD1 3.91Å; L246-I250 HydrophobicContact CG-CG1 4.44Å; L246-I250 VanDerWaalsContact O-CG1 3.26Å; L246-I250 WeakPolarHBondContact O-CG1 3.37Å; L246-I250 PolarHBondContact O-N 3.14Å; Q247-I250 PolarHBondContact O-N 3.12Å; I250-R252 PolarHBondContact O-N 3.45Å; I250-L253 PolarHBondContact O-N 2.9Å; I250-M254 HydrophobicContact CG2-CG 4.15Å; I250-M254 HydrophobicContact CG2-SD 3.57Å; I250-M254 VanDerWaalsContact CG2-SD 3.57Å; I250-M254 WeakPolarHBondContact O-CB 3.37Å; I250-M254 VanDerWaalsContact O-CG 3.31Å; I250-M254 WeakPolarHBondContact O-CG 3.48Å; I250-M254 PolarHBondContact O-N 3.31Å |
| 251 | L | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 179.7 | -70.8 | 161.6 | 0 | 0 | 0 | 112.8 | L224 Q247 V248 M254 R255 L272 I289 E292 I293 T296 | L224-L251 HydrophobicContact CD2-CD2 4.04Å; L224-L251 HydrophobicContact CD2-CG 4.39Å; Q247-L251 WeakPolarHBondContact O-CD1 3.46Å; Q247-L251 VanDerWaalsContact O-CG 3.28Å; Q247-L251 WeakPolarHBondContact O-CG 3.46Å; Q247-L251 PolarHBondContact O-N 3.25Å; V248-L251 PolarHBondContact O-N 3.29Å; L251-M254 PolarHBondContact O-N 2.9Å; L251-R255 PolarHBondContact O-N 3Å; L251-L272 HydrophobicContact CD2-CD2 3.68Å; L251-I289 HydrophobicContact CD1-CG2 4.25Å; L251-E292 HydrophobicContact CB-CB 4.44Å; L251-E292 HydrophobicContact CB-CG 3.79Å; L251-E292 HydrophobicContact CD1-CB 4.29Å; L251-E292 HydrophobicContact CD1-CG 4.49Å; L251-I293 HydrophobicContact CD1-CD1 4.33Å; L251-I293 HydrophobicContact CD1-CG1 3.54Å; L251-I293 HydrophobicContact CD2-CG1 3.74Å; L251-I293 HydrophobicContact CG-CG1 4.28Å; L251-T296 PolarHBondContact O-OG1 3.29Å |
| 252 | R | 97.7 | Very high | 94 | Very high | 97 Ų | 97 | 37.8 Ų | 37.8 | 37% | 0.366 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 172.9 | -76.9 | 176.7 | -173.6 | -169.4 | 4.5 | 112.3 | V248 K249 I250 R255 V256 E292 | V248-R252 WeakPolarHBondContact O-CG 3.37Å; V248-R252 PolarHBondContact O-N 3.1Å; K249-R252 PolarHBondContact O-N 2.81Å; I250-R252 PolarHBondContact O-N 3.45Å; R252-R255 WeakPolarHBondContact O-CB 3.16Å; R252-R255 PolarHBondContact O-N 3.42Å; R252-V256 PolarHBondContact O-N 3.34Å; R252-E292 HydrophobicContact CG-CG 3.99Å; R252-E292 WeakPolarHBondContact CG-OE1 3.48Å; R252-E292 IonicContact CZ-OE2 3.96Å; R252-E292 VanDerWaalsContact NE-CD 3.32Å; R252-E292 IonicContact NE-OE1 2.6Å; R252-E292 IonicContact NE-OE2 3.84Å; R252-E292 PolarHBondContact NE-OE2 3.21Å; R252-E292 IonicContact NH2-OE2 2.77Å; R252-E292 PolarHBondContact NH2-OE2 3Å |
| 253 | L | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 177.8 | 177.3 | 58.7 | 0 | 0 | 0 | 111.6 | I195 I198 Q199 L220 K249 I250 R255 V256 L257 | I195-L253 HydrophobicContact CB-CD2 4.44Å; I195-L253 HydrophobicContact CG1-CD2 4.3Å; I195-L253 HydrophobicContact CG2-CB 3.96Å; I195-L253 HydrophobicContact CG2-CD2 3.98Å; I198-L253 HydrophobicContact CB-CD2 4.26Å; I198-L253 HydrophobicContact CG2-CD1 3.92Å; I198-L253 HydrophobicContact CG2-CD2 3.91Å; Q199-L253 HydrophobicContact CB-CD1 4.35Å; L220-L253 HydrophobicContact CD1-CD2 3.76Å; L220-L253 HydrophobicContact CD1-CG 3.95Å; L220-L253 HydrophobicContact CD2-CD2 4.26Å; K249-L253 PolarHBondContact O-N 3.41Å; K249-L253 VanDerWaalsContact O-N 3.16Å; I250-L253 PolarHBondContact O-N 2.9Å; L253-R255 VanDerWaalsContact C-N 3.32Å; L253-R255 PolarHBondContact O-N 2.95Å; L253-V256 PolarHBondContact O-N 2.83Å; L253-L257 HydrophobicContact CD1-CD1 4.13Å; L253-L257 HydrophobicContact CD1-CG 4.06Å; L253-L257 HydrophobicContact CG-CD1 3.93Å; L253-L257 HydrophobicContact CG-CG 4.33Å; L253-L257 WeakPolarHBondContact O-CG 3.47Å; L253-L257 PolarHBondContact O-N 3.35Å |
| 254 | M | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -39.6 | 173.7 | -74.8 | 173.4 | 75.6 | 0 | 0 | 112 | L220 V221 L224 I250 L251 L257 G258 M268 I271 L272 T296 | L220-M254 HydrophobicContact CB-CG 4.32Å; L220-M254 HydrophobicContact CB-SD 4.5Å; L220-M254 HydrophobicContact CD1-CG 4.23Å; V221-M254 HydrophobicContact CG2-CE 4.19Å; L224-M254 HydrophobicContact CD2-SD 3.87Å; I250-M254 HydrophobicContact CG2-CG 4.15Å; I250-M254 HydrophobicContact CG2-SD 3.57Å; I250-M254 VanDerWaalsContact CG2-SD 3.57Å; I250-M254 WeakPolarHBondContact O-CB 3.37Å; I250-M254 VanDerWaalsContact O-CG 3.31Å; I250-M254 WeakPolarHBondContact O-CG 3.48Å; I250-M254 PolarHBondContact O-N 3.31Å; L251-M254 PolarHBondContact O-N 2.9Å; M254-L257 PolarHBondContact O-N 3.16Å; M254-G258 PolarHBondContact O-N 3.37Å; M254-M268 HydrophobicContact CB-CE 4.06Å; M254-M268 HydrophobicContact CB-SD 3.76Å; M254-M268 HydrophobicContact CE-CB 3.86Å; M254-M268 HydrophobicContact CE-CG 3.48Å; M254-M268 VanDerWaalsContact CE-CG 3.48Å; M254-M268 HydrophobicContact CE-SD 3.81Å; M254-M268 HydrophobicContact CG-CE 4.24Å; M254-M268 HydrophobicContact CG-SD 4.22Å; M254-M268 WeakPolarHBondContact O-CE 3.18Å; M254-I271 HydrophobicContact CE-CG2 3.75Å; M254-L272 HydrophobicContact CE-CD2 4.49Å; M254-T296 HydrophobicContact CB-CG2 4.4Å |
| 255 | R | 96.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 39.2 Ų | 39.2 | 25% | 0.249 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 172.8 | -172.9 | 175.7 | 61.5 | -137.9 | -2.2 | 111.8 | L251 R252 L253 H259 E292 L295 T296 | L251-R255 PolarHBondContact O-N 3Å; R252-R255 WeakPolarHBondContact O-CB 3.16Å; R252-R255 PolarHBondContact O-N 3.42Å; L253-R255 VanDerWaalsContact C-N 3.32Å; L253-R255 PolarHBondContact O-N 2.95Å; R255-H259 VanDerWaalsContact O-CB 3.28Å; R255-H259 WeakPolarHBondContact O-CB 3.38Å; R255-H259 PolarHBondContact O-N 3.41Å; R255-E292 IonicContact CZ-OE1 3.52Å; R255-E292 IonicContact NH1-OE1 2.74Å; R255-E292 PolarHBondContact NH1-OE1 3.18Å; R255-E292 IonicContact NH2-OE1 2.83Å; R255-E292 PolarHBondContact NH2-OE1 3.28Å; R255-L295 VanDerWaalsContact CD-O 3.28Å; R255-L295 WeakPolarHBondContact CD-O 3.48Å; R255-T296 HydrophobicContact CB-CG2 4.07Å |
| 256 | V | 95.6 | Very high | 94.2 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 16% | 0.158 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -42 | 177.9 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | C202 E203 L209 R252 L253 | C202-V256 HydrophobicContact CB-CG1 3.77Å; E203-V256 HydrophobicContact CG-CG1 4.35Å; L209-V256 HydrophobicContact CD1-CG1 3.97Å; R252-V256 PolarHBondContact O-N 3.34Å; L253-V256 PolarHBondContact O-N 2.83Å |
| 257 | L | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.3 | -41.1 | 179.8 | -68 | 172.1 | 0 | 0 | 0 | 112.6 | F212 R213 L216 V217 L220 L253 M254 M268 | F212-L257 HydrophobicContact CB-CD2 4.09Å; R213-L257 HydrophobicContact CG-CB 4.44Å; R213-L257 HydrophobicContact CG-CD2 4.23Å; R213-L257 WeakPolarHBondContact CG-O 3.28Å; R213-L257 PolarHBondContact NE-O 3.2Å; L216-L257 HydrophobicContact CB-CD1 4.34Å; V217-L257 HydrophobicContact CG2-CB 4.09Å; V217-L257 HydrophobicContact CG2-CD1 4.01Å; L220-L257 HydrophobicContact CD1-CD1 3.64Å; L253-L257 HydrophobicContact CD1-CD1 4.13Å; L253-L257 HydrophobicContact CD1-CG 4.06Å; L253-L257 HydrophobicContact CG-CD1 3.93Å; L253-L257 HydrophobicContact CG-CG 4.33Å; L253-L257 WeakPolarHBondContact O-CG 3.47Å; L253-L257 PolarHBondContact O-N 3.35Å; M254-L257 PolarHBondContact O-N 3.16Å; L257-M268 HydrophobicContact CB-CE 4.13Å |
| 258 | G | 92.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -80.2 | -20.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | M254 G260 D261 S265 | M254-G258 PolarHBondContact O-N 3.37Å; G258-G260 PolarHBondContact O-N 3.16Å; G258-D261 PolarHBondContact O-N 2.99Å; G258-S265 PolarHBondContact O-OG 3.27Å; G258-S265 VanDerWaalsContact O-OG 3.07Å |
| 259 | H | 92.6 | Very high | 93.9 | Very high | 123 Ų | 123 | 39.3 Ų | 39.3 | 57% | 0.569 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 111.2 | -178.2 | 177.1 | -78.9 | 0 | 0 | 0 | 111.6 | R213 R255 G299 | R213-H259 PolarHBondContact NH2-O 3.47Å; R255-H259 VanDerWaalsContact O-CB 3.28Å; R255-H259 WeakPolarHBondContact O-CB 3.38Å; R255-H259 PolarHBondContact O-N 3.41Å; H259-G299 PolarHBondContact CD2-O 2.83Å |
| 260 | G | 89.2 | Confident | 93.8 | Very high | 51 Ų | 51 | 43.4 Ų | 43.4 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 30.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R213 G258 | R213-G260 PolarHBondContact NH2-O 3.33Å; G258-G260 PolarHBondContact O-N 3.16Å |
| 261 | D | 91.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | trans | -138.4 | 109 | 163.7 | -179.2 | 62.5 | 0 | 0 | 0 | 111 | G258 A263 S264 S265 | G258-D261 PolarHBondContact O-N 2.99Å; D261-A263 PolarHBondContact O-N 3.25Å; D261-S264 PolarHBondContact O-N 2.77Å; D261-S264 WeakPolarHBondContact OD2-CB 3.29Å; D261-S264 PolarHBondContact OD2-N 2.88Å; D261-S264 PolarHBondContact OD2-OG 2.71Å; D261-S265 WeakPolarHBondContact O-CB 3.04Å; D261-S265 PolarHBondContact O-N 2.75Å; D261-S265 PolarHBondContact O-OG 2.89Å | ||
| 262 | K | 91.5 | Very high | 93.6 | Very high | 121 Ų | 121 | 43.5 Ų | 43.5 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.4 | -43.4 | -178.9 | -165.2 | 169.2 | -172.6 | -86.9 | 0 | 112.8 | S264 S265 E266 E301 | K262-S264 PolarHBondContact O-N 2.78Å; K262-S265 WeakPolarHBondContact O-CB 3.38Å; K262-S265 PolarHBondContact O-N 3.48Å; K262-S265 VanDerWaalsContact O-N 3.16Å; K262-E266 HydrophobicContact CG-CG 4.41Å; K262-E266 IonicContact NZ-OE1 3.27Å; K262-E266 PolarHBondContact NZ-OE1 3.13Å; K262-E266 WeakPolarHBondContact O-CB 3.35Å; K262-E266 WeakPolarHBondContact O-CG 3.48Å; K262-E266 PolarHBondContact O-N 3.21Å; K262-E301 WeakPolarHBondContact CB-OE2 3.47Å |
| 263 | A | 91.4 | Very high | 93.5 | Very high | 62 Ų | 62 | 40.6 Ų | 40.6 | 51% | 0.512 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.3 | -42.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D261 A267 | D261-A263 PolarHBondContact O-N 3.25Å; A263-A267 WeakPolarHBondContact O-CB 3.37Å; A263-A267 PolarHBondContact O-N 3.09Å |
| 264 | S | 92.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 171.9 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | D261 K262 A267 M268 | D261-S264 PolarHBondContact O-N 2.77Å; D261-S264 WeakPolarHBondContact OD2-CB 3.29Å; D261-S264 PolarHBondContact OD2-N 2.88Å; D261-S264 PolarHBondContact OD2-OG 2.71Å; K262-S264 PolarHBondContact O-N 2.78Å; S264-A267 PolarHBondContact O-N 3.47Å; S264-M268 WeakPolarHBondContact O-CG 3.39Å; S264-M268 PolarHBondContact O-N 3.11Å |
| 265 | S | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -50.1 | 178 | -58 | 0 | 0 | 0 | 0 | 111.8 | G258 D261 K262 A267 M268 N269 E301 | G258-S265 PolarHBondContact O-OG 3.27Å; G258-S265 VanDerWaalsContact O-OG 3.07Å; D261-S265 WeakPolarHBondContact O-CB 3.04Å; D261-S265 PolarHBondContact O-N 2.75Å; D261-S265 PolarHBondContact O-OG 2.89Å; K262-S265 WeakPolarHBondContact O-CB 3.38Å; K262-S265 PolarHBondContact O-N 3.48Å; K262-S265 VanDerWaalsContact O-N 3.16Å; S265-A267 VanDerWaalsContact C-N 3.3Å; S265-A267 PolarHBondContact O-N 2.95Å; S265-M268 WeakPolarHBondContact O-CB 3.4Å; S265-M268 PolarHBondContact O-N 2.73Å; S265-N269 PolarHBondContact O-N 2.73Å; S265-N269 PolarHBondContact O-OD1 2.97Å; S265-N269 VanDerWaalsContact O-OD1 3.14Å; S265-E301 PolarHBondContact OG-N 3.41Å |
| 266 | E | 93 | Very high | 93.2 | Very high | 101 Ų | 101 | 40.1 Ų | 40.1 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -55.3 | -44.1 | 175.2 | -73.4 | 172.6 | 177.7 | 0 | 0 | 111.7 | K262 M268 N269 | K262-E266 HydrophobicContact CG-CG 4.41Å; K262-E266 IonicContact NZ-OE1 3.27Å; K262-E266 PolarHBondContact NZ-OE1 3.13Å; K262-E266 WeakPolarHBondContact O-CB 3.35Å; K262-E266 WeakPolarHBondContact O-CG 3.48Å; K262-E266 PolarHBondContact O-N 3.21Å; E266-M268 PolarHBondContact O-N 2.92Å; E266-M268 VanDerWaalsContact O-N 3.13Å; E266-N269 PolarHBondContact O-N 3.47Å |
| 267 | A | 91.9 | Very high | 93 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.1 | -10.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V217 A263 S264 S265 | V217-A267 HydrophobicContact CG1-CB 4.11Å; A263-A267 WeakPolarHBondContact O-CB 3.37Å; A263-A267 PolarHBondContact O-N 3.09Å; S264-A267 PolarHBondContact O-N 3.47Å; S265-A267 VanDerWaalsContact C-N 3.3Å; S265-A267 PolarHBondContact O-N 2.95Å |
| 268 | M | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -102.2 | -19.4 | 177.5 | -65 | 176.9 | -166.6 | 0 | 0 | 113.8 | V217 M254 L257 S264 S265 E266 D270 I271 L272 | V217-M268 HydrophobicContact CB-CE 4.17Å; V217-M268 HydrophobicContact CG1-CE 3.61Å; V217-M268 HydrophobicContact CG1-CG 3.86Å; V217-M268 HydrophobicContact CG2-CE 3.45Å; V217-M268 VanDerWaalsContact CG2-CE 3.45Å; M254-M268 HydrophobicContact CB-CE 4.06Å; M254-M268 HydrophobicContact CB-SD 3.76Å; M254-M268 HydrophobicContact CE-CB 3.86Å; M254-M268 HydrophobicContact CE-CG 3.48Å; M254-M268 VanDerWaalsContact CE-CG 3.48Å; M254-M268 HydrophobicContact CE-SD 3.81Å; M254-M268 HydrophobicContact CG-CE 4.24Å; M254-M268 HydrophobicContact CG-SD 4.22Å; M254-M268 WeakPolarHBondContact O-CE 3.18Å; L257-M268 HydrophobicContact CB-CE 4.13Å; S264-M268 WeakPolarHBondContact O-CG 3.39Å; S264-M268 PolarHBondContact O-N 3.11Å; S265-M268 WeakPolarHBondContact O-CB 3.4Å; S265-M268 PolarHBondContact O-N 2.73Å; E266-M268 PolarHBondContact O-N 2.92Å; E266-M268 VanDerWaalsContact O-N 3.13Å; M268-D270 PolarHBondContact O-N 3.3Å; M268-I271 WeakPolarHBondContact O-CG2 3.43Å; M268-I271 PolarHBondContact O-N 3.28Å; M268-L272 HydrophobicContact CB-CD1 3.88Å; M268-L272 HydrophobicContact CB-CG 4.26Å; M268-L272 WeakPolarHBondContact O-CG 3.44Å; M268-L272 PolarHBondContact O-N 3.38Å |
| 269 | N | 92.5 | Very high | 92.7 | Very high | 14 Ų | 14 | 49 Ų | 49 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.6 | -45.9 | -168.6 | -73.1 | -15.5 | 0 | 0 | 0 | 112.8 | S265 E266 I271 L272 A273 D303 L306 | S265-N269 PolarHBondContact O-N 2.73Å; S265-N269 PolarHBondContact O-OD1 2.97Å; S265-N269 VanDerWaalsContact O-OD1 3.14Å; E266-N269 PolarHBondContact O-N 3.47Å; N269-I271 PolarHBondContact O-N 3.06Å; N269-L272 PolarHBondContact O-N 2.97Å; N269-A273 WeakPolarHBondContact O-CB 3.44Å; N269-A273 PolarHBondContact O-N 3.46Å; N269-D303 PolarHBondContact ND2-OD2 3.03Å; N269-L306 HydrophobicContact CB-CD2 4.22Å; N269-L306 WeakPolarHBondContact OD1-CD2 3.47Å |
| 270 | D | 93.5 | Very high | 92.5 | Very high | 142 Ų | 142 | 46.9 Ų | 46.9 | 76% | 0.759 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.7 | -48.2 | 177.9 | -77.1 | -8.7 | 0 | 0 | 0 | 112.9 | M268 Q274 | M268-D270 PolarHBondContact O-N 3.3Å; D270-Q274 WeakPolarHBondContact O-CB 3.33Å; D270-Q274 PolarHBondContact O-N 2.77Å |
| 271 | I | 95.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.8 | -38.7 | -177.9 | -173.5 | 58.6 | 0 | 0 | 0 | 110.8 | V221 L224 K225 I228 M254 M268 N269 A273 Q274 V275 | V221-I271 HydrophobicContact CB-CG2 4.3Å; V221-I271 HydrophobicContact CG1-CB 4.08Å; V221-I271 HydrophobicContact CG1-CG2 3.99Å; V221-I271 HydrophobicContact CG2-CG2 3.84Å; L224-I271 HydrophobicContact CB-CG1 4.24Å; L224-I271 HydrophobicContact CD2-CG1 3.95Å; L224-I271 HydrophobicContact CG-CD1 4.41Å; L224-I271 HydrophobicContact CG-CG1 4.06Å; K225-I271 HydrophobicContact CB-CD1 3.83Å; K225-I271 HydrophobicContact CG-CD1 4.37Å; I228-I271 HydrophobicContact CD1-CD1 4.01Å; M254-I271 HydrophobicContact CE-CG2 3.75Å; M268-I271 WeakPolarHBondContact O-CG2 3.43Å; M268-I271 PolarHBondContact O-N 3.28Å; N269-I271 PolarHBondContact O-N 3.06Å; I271-A273 VanDerWaalsContact C-N 3.35Å; I271-A273 PolarHBondContact O-N 2.97Å; I271-Q274 HydrophobicContact CD1-CB 4.36Å; I271-Q274 CarbonylContact O-C 3.56Å; I271-Q274 WeakPolarHBondContact O-CB 3.29Å; I271-Q274 PolarHBondContact O-N 2.98Å; I271-Q274 VanDerWaalsContact O-N 3.14Å; I271-V275 HydrophobicContact CD1-CG2 4.16Å; I271-V275 HydrophobicContact CG1-CG2 4.07Å; I271-V275 WeakPolarHBondContact O-CG2 3.47Å; I271-V275 PolarHBondContact O-N 2.96Å |
| 272 | L | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 177 | -69.1 | 173.3 | 0 | 0 | 0 | 111.3 | L251 M254 M268 N269 V275 A276 T296 I297 I300 L306 | L251-L272 HydrophobicContact CD2-CD2 3.68Å; M254-L272 HydrophobicContact CE-CD2 4.49Å; M268-L272 HydrophobicContact CB-CD1 3.88Å; M268-L272 HydrophobicContact CB-CG 4.26Å; M268-L272 WeakPolarHBondContact O-CG 3.44Å; M268-L272 PolarHBondContact O-N 3.38Å; N269-L272 PolarHBondContact O-N 2.97Å; L272-V275 PolarHBondContact O-N 3.34Å; L272-A276 WeakPolarHBondContact O-CB 3.22Å; L272-A276 PolarHBondContact O-N 3.43Å; L272-T296 HydrophobicContact CD1-CG2 4.24Å; L272-T296 HydrophobicContact CD2-CG2 3.88Å; L272-I297 HydrophobicContact CB-CG1 4.33Å; L272-I297 HydrophobicContact CD1-CG1 4.17Å; L272-I300 HydrophobicContact CD1-CD1 3.54Å; L272-L306 HydrophobicContact CB-CD1 4.46Å; L272-L306 HydrophobicContact CB-CD2 4.11Å; L272-L306 HydrophobicContact CD1-CD2 4.32Å |
| 273 | A | 94.6 | Very high | 91.9 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N269 I271 T277 L306 | N269-A273 WeakPolarHBondContact O-CB 3.44Å; N269-A273 PolarHBondContact O-N 3.46Å; I271-A273 VanDerWaalsContact C-N 3.35Å; I271-A273 PolarHBondContact O-N 2.97Å; A273-T277 WeakPolarHBondContact O-CB 3.47Å; A273-T277 PolarHBondContact O-N 3.17Å; A273-T277 PolarHBondContact O-OG1 2.83Å; A273-L306 HydrophobicContact CB-CD1 4.13Å |
| 274 | Q | 93.9 | Very high | 91.9 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 177.2 | -172.4 | 178.9 | 1.8 | 0 | 0 | 112.2 | M229 D270 I271 T277 N278 | M229-Q274 VanDerWaalsContact CG-NE2 3.34Å; M229-Q274 PolarHBondContact SD-NE2 3.27Å; M229-Q274 VanDerWaalsContact SD-NE2 3.4Å; D270-Q274 WeakPolarHBondContact O-CB 3.33Å; D270-Q274 PolarHBondContact O-N 2.77Å; I271-Q274 HydrophobicContact CD1-CB 4.36Å; I271-Q274 CarbonylContact O-C 3.56Å; I271-Q274 WeakPolarHBondContact O-CB 3.29Å; I271-Q274 PolarHBondContact O-N 2.98Å; I271-Q274 VanDerWaalsContact O-N 3.14Å; Q274-T277 PolarHBondContact O-N 3.2Å; Q274-N278 VanDerWaalsContact CG-ND2 3.32Å; Q274-N278 WeakPolarHBondContact CG-ND2 3.05Å; Q274-N278 WeakPolarHBondContact O-CB 3.42Å; Q274-N278 PolarHBondContact O-N 2.56Å; Q274-N278 PolarHBondContact O-ND2 3.23Å |
| 275 | V | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 177.9 | -155.6 | 0 | 0 | 0 | 0 | 110.5 | L224 I228 I271 L272 T277 N278 T279 I289 I293 | L224-V275 HydrophobicContact CD1-CG2 4.49Å; L224-V275 HydrophobicContact CD2-CG2 3.83Å; L224-V275 HydrophobicContact CG-CG2 4Å; I228-V275 HydrophobicContact CD1-CB 3.8Å; I228-V275 HydrophobicContact CD1-CG1 3.63Å; I228-V275 HydrophobicContact CD1-CG2 3.33Å; I228-V275 HydrophobicContact CG1-CG1 4.2Å; I271-V275 HydrophobicContact CD1-CG2 4.16Å; I271-V275 HydrophobicContact CG1-CG2 4.07Å; I271-V275 WeakPolarHBondContact O-CG2 3.47Å; I271-V275 PolarHBondContact O-N 2.96Å; L272-V275 PolarHBondContact O-N 3.34Å; V275-T277 PolarHBondContact O-N 3.34Å; V275-N278 PolarHBondContact O-N 2.96Å; V275-T279 WeakPolarHBondContact O-CB 3.37Å; V275-T279 PolarHBondContact O-N 2.97Å; V275-T279 VanDerWaalsContact O-N 3.14Å; V275-T279 PolarHBondContact O-OG1 3.47Å; V275-I289 HydrophobicContact CG1-CG2 4.07Å; V275-I293 HydrophobicContact CB-CD1 3.59Å; V275-I293 HydrophobicContact CB-CG1 4.36Å; V275-I293 HydrophobicContact CG1-CD1 3.47Å; V275-I293 VanDerWaalsContact CG1-CD1 3.47Å; V275-I293 HydrophobicContact CG1-CG1 4.41Å |
| 276 | A | 94.2 | Very high | 91.8 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.6 | -35.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L272 I293 L309 I313 | L272-A276 WeakPolarHBondContact O-CB 3.22Å; L272-A276 PolarHBondContact O-N 3.43Å; A276-I293 HydrophobicContact CB-CG2 4.17Å; A276-L309 HydrophobicContact CB-CD2 3.76Å; A276-L309 HydrophobicContact CB-CG 4.34Å; A276-I313 HydrophobicContact CB-CD1 3.96Å |
| 277 | T | 91.8 | Very high | 91.9 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -85.7 | -38 | -177.2 | -52.3 | 0 | 0 | 0 | 0 | 112.8 | A273 Q274 V275 | A273-T277 WeakPolarHBondContact O-CB 3.47Å; A273-T277 PolarHBondContact O-N 3.17Å; A273-T277 PolarHBondContact O-OG1 2.83Å; Q274-T277 PolarHBondContact O-N 3.2Å; V275-T277 PolarHBondContact O-N 3.34Å |
| 278 | N | 90.4 | Very high | 92 | Very high | 94 Ų | 94 | 43.3 Ų | 43.3 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -90.4 | -10.5 | -172.8 | -66.3 | -24.4 | 0 | 0 | 0 | 114.5 | I228 Q274 V275 | I228-N278 HydrophobicContact CG2-CB 3.89Å; Q274-N278 VanDerWaalsContact CG-ND2 3.32Å; Q274-N278 WeakPolarHBondContact CG-ND2 3.05Å; Q274-N278 WeakPolarHBondContact O-CB 3.42Å; Q274-N278 PolarHBondContact O-N 2.56Å; Q274-N278 PolarHBondContact O-ND2 3.23Å; V275-N278 PolarHBondContact O-N 2.96Å |
| 279 | T | 90.9 | Very high | 92.1 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 10% | 0.104 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -76.1 | 128.9 | -178.4 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | V275 T281 I289 L290 | V275-T279 WeakPolarHBondContact O-CB 3.37Å; V275-T279 PolarHBondContact O-N 2.97Å; V275-T279 VanDerWaalsContact O-N 3.14Å; V275-T279 PolarHBondContact O-OG1 3.47Å; T279-T281 PolarHBondContact O-N 3.4Å; T279-I289 HydrophobicContact CG2-CB 4.15Å; T279-I289 HydrophobicContact CG2-CD1 4.45Å; T279-I289 HydrophobicContact CG2-CG2 4.09Å; T279-L290 HydrophobicContact CG2-CD1 4.17Å; T279-L290 HydrophobicContact CG2-CD2 4.43Å; T279-L290 HydrophobicContact CG2-CG 3.87Å |
| 280 | E | 87.8 | Confident | 92.3 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 37% | 0.369 | 25% | 0.25 | S | C | . | . | trans | -66.7 | 120.4 | -177.8 | -169.5 | -174.3 | 174.9 | 0 | 0 | 112.5 | I241 S282 K283 G286 | I241-E280 HydrophobicContact CD1-CB 4.47Å; E280-S282 VanDerWaalsContact C-N 3.31Å; E280-S282 WeakPolarHBondContact CG-OG 3.42Å; E280-S282 PolarHBondContact O-N 3.46Å; E280-S282 PolarHBondContact OE1-OG 3.01Å; E280-K283 IonicContact OE1-NZ 3.43Å; E280-K283 PolarHBondContact OE1-NZ 2.84Å; E280-K283 IonicContact OE2-NZ 2.78Å; E280-K283 PolarHBondContact OE2-NZ 3.41Å; E280-G286 WeakPolarHBondContact O-CA 3.25Å | ||
| 281 | T | 87.1 | Confident | 92.5 | Very high | 64 Ų | 64 | 38.9 Ų | 38.9 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 24.4 | -178.7 | 83.3 | 0 | 0 | 0 | 0 | 114 | T279 H287 L290 R316 | T279-T281 PolarHBondContact O-N 3.4Å; T281-H287 PolarHBondContact O-NE2 3.39Å; T281-H287 VanDerWaalsContact O-NE2 3.1Å; T281-L290 HydrophobicContact CG2-CD1 3.8Å; T281-R316 PolarHBondContact OG1-NH2 3.11Å; T281-R316 VanDerWaalsContact OG1-NH2 3.08Å |
| 282 | S | 85.6 | Confident | 92.6 | Very high | 76 Ų | 76 | 39 Ų | 39 | 53% | 0.531 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -13.6 | -178.2 | 73.8 | 0 | 0 | 0 | 0 | 113.2 | E280 | E280-S282 VanDerWaalsContact C-N 3.31Å; E280-S282 WeakPolarHBondContact CG-OG 3.42Å; E280-S282 PolarHBondContact O-N 3.46Å; E280-S282 PolarHBondContact OE1-OG 3.01Å |
| 283 | K | 87.5 | Confident | 92.6 | Very high | 47 Ų | 47 | 39 Ų | 39 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -136.1 | 147.4 | -170 | -35.6 | -165.5 | -176.6 | 103.8 | 0 | 111.4 | N239 E280 V285 G286 H287 | N239-K283 HydrophobicContact CB-CD 3.58Å; N239-K283 WeakPolarHBondContact O-CD 3.38Å; N239-K283 WeakPolarHBondContact O-CE 3.33Å; N239-K283 PolarHBondContact O-NZ 3.2Å; E280-K283 IonicContact OE1-NZ 3.43Å; E280-K283 PolarHBondContact OE1-NZ 2.84Å; E280-K283 IonicContact OE2-NZ 2.78Å; E280-K283 PolarHBondContact OE2-NZ 3.41Å; K283-V285 PolarHBondContact O-N 3.03Å; K283-G286 PolarHBondContact O-N 3.3Å; K283-H287 PolarHBondContact O-N 2.91Å; K283-H287 VanDerWaalsContact O-N 3.12Å; K283-H287 PolarHBondContact O-ND1 3.21Å |
| 284 | N | 90.2 | Very high | 92.7 | Very high | 91 Ų | 91 | 37.2 Ų | 37.2 | 49% | 0.487 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.9 | -28.6 | 179.4 | -68.6 | 22.6 | 0 | 0 | 0 | 113.2 | H287 A288 D322 | N284-H287 PolarHBondContact O-N 3.35Å; N284-A288 WeakPolarHBondContact O-CB 3.47Å; N284-A288 PolarHBondContact O-N 3.31Å; N284-D322 PolarHBondContact ND2-OD2 2.84Å |
| 285 | V | 91.6 | Very high | 92.8 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 15% | 0.152 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 172.9 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | V238 I241 P244 K283 A288 I289 | V238-V285 HydrophobicContact CG1-CG2 3.93Å; I241-V285 HydrophobicContact CB-CG1 4.17Å; I241-V285 HydrophobicContact CD1-CB 4.14Å; I241-V285 HydrophobicContact CD1-CG1 3.95Å; I241-V285 HydrophobicContact CG2-CG1 4.33Å; P244-V285 HydrophobicContact CB-CG1 3.4Å; P244-V285 HydrophobicContact CG-CG1 3.53Å; K283-V285 PolarHBondContact O-N 3.03Å; V285-A288 PolarHBondContact O-N 3.49Å; V285-I289 PolarHBondContact O-N 3.27Å |
| 286 | G | 92.6 | Very high | 93 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.5 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | E280 K283 A288 I289 L290 | E280-G286 WeakPolarHBondContact O-CA 3.25Å; K283-G286 PolarHBondContact O-N 3.3Å; G286-A288 VanDerWaalsContact C-N 3.31Å; G286-A288 PolarHBondContact O-N 2.94Å; G286-I289 PolarHBondContact O-N 3.43Å; G286-L290 WeakPolarHBondContact O-CB 3.47Å; G286-L290 VanDerWaalsContact O-CG 3.3Å; G286-L290 WeakPolarHBondContact O-CG 3.47Å; G286-L290 PolarHBondContact O-N 2.86Å |
| 287 | H | 94.6 | Very high | 93 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 6% | 0.06 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -37 | 172.7 | -58.8 | 136.8 | 0 | 0 | 0 | 112.6 | T281 K283 N284 L290 Y291 F317 N320 I325 | T281-H287 PolarHBondContact O-NE2 3.39Å; T281-H287 VanDerWaalsContact O-NE2 3.1Å; K283-H287 PolarHBondContact O-N 2.91Å; K283-H287 VanDerWaalsContact O-N 3.12Å; K283-H287 PolarHBondContact O-ND1 3.21Å; N284-H287 PolarHBondContact O-N 3.35Å; H287-L290 PolarHBondContact O-N 3.21Å; H287-Y291 VanDerWaalsContact O-CB 3.26Å; H287-Y291 WeakPolarHBondContact O-CB 3.33Å; H287-Y291 PolarHBondContact O-N 2.91Å; H287-F317 HydrophobicContact CB-CE1 4.36Å; H287-F317 HydrophobicContact CB-CZ 4.18Å; H287-F317 AromaticContact CD2-CE1 3.76Å; H287-F317 WeakPolarHBondContact O-CZ 3.46Å; H287-N320 PolarHBondContact CE1-ND2 3.48Å; H287-N320 PolarHBondContact NE2-ND2 2.92Å; H287-I325 HydrophobicContact CB-CD1 3.78Å; H287-I325 WeakPolarHBondContact ND1-CD1 3.45Å |
| 288 | A | 95.1 | Very high | 93.1 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.2 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N284 V285 G286 E292 | N284-A288 WeakPolarHBondContact O-CB 3.47Å; N284-A288 PolarHBondContact O-N 3.31Å; V285-A288 PolarHBondContact O-N 3.49Å; G286-A288 VanDerWaalsContact C-N 3.31Å; G286-A288 PolarHBondContact O-N 2.94Å; A288-E292 PolarHBondContact O-N 3Å; A288-E292 VanDerWaalsContact O-N 3.11Å |
| 289 | I | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -50.3 | 173 | -69.2 | 160.6 | 0 | 0 | 0 | 110.3 | I241 P244 Q247 V248 L251 V275 T279 V285 G286 Y291 E292 I293 | I241-I289 HydrophobicContact CG2-CD1 3.61Å; P244-I289 HydrophobicContact CB-CD1 3.79Å; P244-I289 HydrophobicContact CB-CG1 4.17Å; Q247-I289 HydrophobicContact CB-CD1 4.45Å; Q247-I289 HydrophobicContact CB-CG1 4.29Å; V248-I289 HydrophobicContact CG2-CG1 4.05Å; L251-I289 HydrophobicContact CD1-CG2 4.25Å; V275-I289 HydrophobicContact CG1-CG2 4.07Å; T279-I289 HydrophobicContact CG2-CB 4.15Å; T279-I289 HydrophobicContact CG2-CD1 4.45Å; T279-I289 HydrophobicContact CG2-CG2 4.09Å; V285-I289 PolarHBondContact O-N 3.27Å; G286-I289 PolarHBondContact O-N 3.43Å; I289-Y291 VanDerWaalsContact C-N 3.31Å; I289-Y291 PolarHBondContact O-N 2.9Å; I289-E292 PolarHBondContact O-N 3.43Å; I289-E292 VanDerWaalsContact O-N 3.16Å; I289-I293 HydrophobicContact CG2-CD1 3.64Å; I289-I293 HydrophobicContact CG2-CG1 4.36Å; I289-I293 VanDerWaalsContact O-CG1 3.29Å; I289-I293 WeakPolarHBondContact O-CG1 3.23Å; I289-I293 PolarHBondContact O-N 2.98Å |
| 290 | L | 96.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.1 | -38.8 | 179.1 | -74.5 | 168.5 | 0 | 0 | 0 | 112.6 | T279 T281 G286 H287 I293 V294 I313 F317 | T279-L290 HydrophobicContact CG2-CD1 4.17Å; T279-L290 HydrophobicContact CG2-CD2 4.43Å; T279-L290 HydrophobicContact CG2-CG 3.87Å; T281-L290 HydrophobicContact CG2-CD1 3.8Å; G286-L290 WeakPolarHBondContact O-CB 3.47Å; G286-L290 VanDerWaalsContact O-CG 3.3Å; G286-L290 WeakPolarHBondContact O-CG 3.47Å; G286-L290 PolarHBondContact O-N 2.86Å; H287-L290 PolarHBondContact O-N 3.21Å; L290-I293 HydrophobicContact CD2-CD1 4.31Å; L290-I293 PolarHBondContact O-N 2.66Å; L290-V294 WeakPolarHBondContact O-CG2 3.34Å; L290-V294 PolarHBondContact O-N 3.39Å; L290-I313 HydrophobicContact CB-CG2 4.01Å; L290-I313 HydrophobicContact CD2-CD1 4.05Å; L290-F317 HydrophobicContact CB-CE1 4.2Å; L290-F317 HydrophobicContact CB-CZ 3.75Å; L290-F317 HydrophobicContact CD1-CE1 4.48Å |
| 291 | Y | 97.5 | Very high | 93.5 | Very high | 58 Ų | 58 | 31.2 Ų | 31.2 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 174.4 | -177 | -122.1 | 0 | 0 | 0 | 111.8 | H287 I289 I293 V294 L295 F317 V328 T332 | H287-Y291 VanDerWaalsContact O-CB 3.26Å; H287-Y291 WeakPolarHBondContact O-CB 3.33Å; H287-Y291 PolarHBondContact O-N 2.91Å; I289-Y291 VanDerWaalsContact C-N 3.31Å; I289-Y291 PolarHBondContact O-N 2.9Å; Y291-I293 VanDerWaalsContact C-N 3.33Å; Y291-I293 PolarHBondContact O-N 3.46Å; Y291-V294 WeakPolarHBondContact O-CB 3.17Å; Y291-V294 PolarHBondContact O-N 3.39Å; Y291-L295 HydrophobicContact CD1-CD1 4.24Å; Y291-L295 HydrophobicContact CE1-CD1 3.65Å; Y291-L295 HydrophobicContact CE1-CG 4.26Å; Y291-L295 HydrophobicContact CE2-CD1 4.38Å; Y291-L295 HydrophobicContact CE2-CD2 4.11Å; Y291-L295 HydrophobicContact CE2-CG 4.12Å; Y291-L295 WeakPolarHBondContact O-CG 3.29Å; Y291-L295 PolarHBondContact O-N 3.24Å; Y291-F317 HydrophobicContact CD2-CE2 4.35Å; Y291-V328 HydrophobicContact CD1-CG1 4.22Å; Y291-V328 HydrophobicContact CD2-CG1 3.78Å; Y291-V328 HydrophobicContact CE1-CG1 3.74Å; Y291-V328 HydrophobicContact CE2-CG1 3.28Å; Y291-V328 HydrophobicContact CG-CG1 4.24Å; Y291-T332 HydrophobicContact CE2-CG2 4.3Å; Y291-T332 WeakPolarHBondContact CE2-OG1 3.09Å; Y291-T332 PolarHBondContact OH-OG1 3.27Å |
| 292 | E | 97 | Very high | 93.5 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 2% | 0.023 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -38 | 177.4 | -162.9 | 70.4 | -128.5 | 0 | 0 | 111.7 | V248 L251 R252 R255 A288 I289 V294 L295 T296 | V248-E292 HydrophobicContact CG1-CB 4.29Å; V248-E292 HydrophobicContact CG1-CG 4.01Å; V248-E292 HydrophobicContact CG2-CB 4.3Å; L251-E292 HydrophobicContact CB-CB 4.44Å; L251-E292 HydrophobicContact CB-CG 3.79Å; L251-E292 HydrophobicContact CD1-CB 4.29Å; L251-E292 HydrophobicContact CD1-CG 4.49Å; R252-E292 HydrophobicContact CG-CG 3.99Å; R252-E292 WeakPolarHBondContact CG-OE1 3.48Å; R252-E292 IonicContact CZ-OE2 3.96Å; R252-E292 VanDerWaalsContact NE-CD 3.32Å; R252-E292 IonicContact NE-OE1 2.6Å; R252-E292 IonicContact NE-OE2 3.84Å; R252-E292 PolarHBondContact NE-OE2 3.21Å; R252-E292 IonicContact NH2-OE2 2.77Å; R252-E292 PolarHBondContact NH2-OE2 3Å; R255-E292 IonicContact CZ-OE1 3.52Å; R255-E292 IonicContact NH1-OE1 2.74Å; R255-E292 PolarHBondContact NH1-OE1 3.18Å; R255-E292 IonicContact NH2-OE1 2.83Å; R255-E292 PolarHBondContact NH2-OE1 3.28Å; A288-E292 PolarHBondContact O-N 3Å; A288-E292 VanDerWaalsContact O-N 3.11Å; I289-E292 PolarHBondContact O-N 3.43Å; I289-E292 VanDerWaalsContact O-N 3.16Å; E292-V294 VanDerWaalsContact C-N 3.35Å; E292-V294 PolarHBondContact O-N 3.46Å; E292-L295 PolarHBondContact O-N 3.15Å; E292-T296 WeakPolarHBondContact O-CB 3.41Å; E292-T296 PolarHBondContact O-N 3.44Å; E292-T296 PolarHBondContact O-OG1 3.13Å |
| 293 | I | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | 172.7 | -67.4 | 159.9 | 0 | 0 | 0 | 111 | L251 V275 A276 I289 L290 Y291 L295 T296 I297 | L251-I293 HydrophobicContact CD1-CD1 4.33Å; L251-I293 HydrophobicContact CD1-CG1 3.54Å; L251-I293 HydrophobicContact CD2-CG1 3.74Å; L251-I293 HydrophobicContact CG-CG1 4.28Å; V275-I293 HydrophobicContact CB-CD1 3.59Å; V275-I293 HydrophobicContact CB-CG1 4.36Å; V275-I293 HydrophobicContact CG1-CD1 3.47Å; V275-I293 VanDerWaalsContact CG1-CD1 3.47Å; V275-I293 HydrophobicContact CG1-CG1 4.41Å; A276-I293 HydrophobicContact CB-CG2 4.17Å; I289-I293 HydrophobicContact CG2-CD1 3.64Å; I289-I293 HydrophobicContact CG2-CG1 4.36Å; I289-I293 VanDerWaalsContact O-CG1 3.29Å; I289-I293 WeakPolarHBondContact O-CG1 3.23Å; I289-I293 PolarHBondContact O-N 2.98Å; L290-I293 HydrophobicContact CD2-CD1 4.31Å; L290-I293 PolarHBondContact O-N 2.66Å; Y291-I293 VanDerWaalsContact C-N 3.33Å; Y291-I293 PolarHBondContact O-N 3.46Å; I293-L295 PolarHBondContact O-N 3.17Å; I293-T296 PolarHBondContact O-N 3.43Å; I293-I297 HydrophobicContact CG2-CD1 3.54Å; I293-I297 HydrophobicContact CG2-CG1 4.21Å; I293-I297 WeakPolarHBondContact O-CB 3.48Å; I293-I297 VanDerWaalsContact O-CG1 3.31Å; I293-I297 WeakPolarHBondContact O-CG1 3.37Å; I293-I297 PolarHBondContact O-N 3.32Å |
| 294 | V | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 176.4 | 166.9 | 0 | 0 | 0 | 0 | 110.8 | L290 Y291 E292 T296 I297 M298 A310 I313 L314 T332 | L290-V294 WeakPolarHBondContact O-CG2 3.34Å; L290-V294 PolarHBondContact O-N 3.39Å; Y291-V294 WeakPolarHBondContact O-CB 3.17Å; Y291-V294 PolarHBondContact O-N 3.39Å; E292-V294 VanDerWaalsContact C-N 3.35Å; E292-V294 PolarHBondContact O-N 3.46Å; V294-T296 VanDerWaalsContact C-N 3.29Å; V294-T296 PolarHBondContact O-N 2.92Å; V294-I297 PolarHBondContact O-N 3.14Å; V294-M298 HydrophobicContact CG1-CG 4.39Å; V294-M298 WeakPolarHBondContact O-CB 3.3Å; V294-M298 WeakPolarHBondContact O-CG 3.4Å; V294-M298 PolarHBondContact O-N 3.16Å; V294-A310 HydrophobicContact CB-CB 4.42Å; V294-A310 HydrophobicContact CG1-CB 4.31Å; V294-A310 HydrophobicContact CG2-CB 4.05Å; V294-A310 WeakPolarHBondContact CG2-O 3.28Å; V294-I313 HydrophobicContact CG2-CB 3.92Å; V294-I313 HydrophobicContact CG2-CD1 4.34Å; V294-I313 HydrophobicContact CG2-CG2 3.77Å; V294-L314 HydrophobicContact CG1-CD1 3.75Å; V294-L314 HydrophobicContact CG1-CD2 3.94Å; V294-L314 HydrophobicContact CG1-CG 3.77Å; V294-L314 HydrophobicContact CG2-CG 4.35Å; V294-T332 HydrophobicContact CG1-CG2 4.44Å |
| 295 | L | 96.5 | Very high | 93.9 | Very high | 46 Ų | 46 | 29.1 Ų | 29.1 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -35.7 | 177.1 | -63.9 | -178.7 | 0 | 0 | 0 | 112.4 | R255 Y291 E292 I293 G299 T332 | R255-L295 VanDerWaalsContact CD-O 3.28Å; R255-L295 WeakPolarHBondContact CD-O 3.48Å; Y291-L295 HydrophobicContact CD1-CD1 4.24Å; Y291-L295 HydrophobicContact CE1-CD1 3.65Å; Y291-L295 HydrophobicContact CE1-CG 4.26Å; Y291-L295 HydrophobicContact CE2-CD1 4.38Å; Y291-L295 HydrophobicContact CE2-CD2 4.11Å; Y291-L295 HydrophobicContact CE2-CG 4.12Å; Y291-L295 WeakPolarHBondContact O-CG 3.29Å; Y291-L295 PolarHBondContact O-N 3.24Å; E292-L295 PolarHBondContact O-N 3.15Å; I293-L295 PolarHBondContact O-N 3.17Å; L295-G299 PolarHBondContact O-N 3.5Å; L295-G299 VanDerWaalsContact O-N 3.07Å; L295-T332 HydrophobicContact CD2-CG2 4.04Å |
| 296 | T | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.3 | -50.2 | 175.1 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | L251 M254 R255 L272 E292 I293 V294 M298 G299 I300 | L251-T296 PolarHBondContact O-OG1 3.29Å; M254-T296 HydrophobicContact CB-CG2 4.4Å; R255-T296 HydrophobicContact CB-CG2 4.07Å; L272-T296 HydrophobicContact CD1-CG2 4.24Å; L272-T296 HydrophobicContact CD2-CG2 3.88Å; E292-T296 WeakPolarHBondContact O-CB 3.41Å; E292-T296 PolarHBondContact O-N 3.44Å; E292-T296 PolarHBondContact O-OG1 3.13Å; I293-T296 PolarHBondContact O-N 3.43Å; V294-T296 VanDerWaalsContact C-N 3.29Å; V294-T296 PolarHBondContact O-N 2.92Å; T296-M298 VanDerWaalsContact C-N 3.27Å; T296-M298 PolarHBondContact O-N 2.99Å; T296-G299 PolarHBondContact O-N 3.46Å; T296-G299 VanDerWaalsContact O-N 3.11Å; T296-I300 WeakPolarHBondContact O-CG1 3.5Å; T296-I300 WeakPolarHBondContact O-CG2 3.46Å; T296-I300 PolarHBondContact O-N 2.87Å |
| 297 | I | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -39.9 | 177.5 | -69.9 | 166.8 | 0 | 0 | 0 | 111.4 | L272 I293 V294 G299 S302 L306 A310 | L272-I297 HydrophobicContact CB-CG1 4.33Å; L272-I297 HydrophobicContact CD1-CG1 4.17Å; I293-I297 HydrophobicContact CG2-CD1 3.54Å; I293-I297 HydrophobicContact CG2-CG1 4.21Å; I293-I297 WeakPolarHBondContact O-CB 3.48Å; I293-I297 VanDerWaalsContact O-CG1 3.31Å; I293-I297 WeakPolarHBondContact O-CG1 3.37Å; I293-I297 PolarHBondContact O-N 3.32Å; V294-I297 PolarHBondContact O-N 3.14Å; I297-G299 VanDerWaalsContact C-N 3.33Å; I297-S302 VanDerWaalsContact O-CB 3.28Å; I297-S302 WeakPolarHBondContact O-CB 3.47Å; I297-S302 PolarHBondContact O-OG 2.85Å; I297-L306 HydrophobicContact CD1-CD1 3.64Å; I297-L306 HydrophobicContact CD1-CD2 4.42Å; I297-L306 HydrophobicContact CD1-CG 3.78Å; I297-L306 HydrophobicContact CG1-CD1 4.21Å; I297-L306 HydrophobicContact CG1-CD2 4.07Å; I297-L306 HydrophobicContact CG1-CG 3.87Å; I297-L306 HydrophobicContact CG2-CD2 4.49Å; I297-L306 HydrophobicContact CG2-CG 3.91Å; I297-A310 HydrophobicContact CB-CB 4.11Å; I297-A310 HydrophobicContact CD1-CB 4.01Å; I297-A310 HydrophobicContact CG2-CB 3.79Å |
| 298 | M | 93 | Very high | 94 | Very high | 45 Ų | 45 | 32.5 Ų | 32.5 | 22% | 0.222 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.3 | -18.4 | 179.8 | -68.6 | -67.8 | 179.6 | 0 | 0 | 113.9 | V294 T296 R307 A310 I311 V336 | V294-M298 HydrophobicContact CG1-CG 4.39Å; V294-M298 WeakPolarHBondContact O-CB 3.3Å; V294-M298 WeakPolarHBondContact O-CG 3.4Å; V294-M298 PolarHBondContact O-N 3.16Å; T296-M298 VanDerWaalsContact C-N 3.27Å; T296-M298 PolarHBondContact O-N 2.99Å; M298-R307 HydrophobicContact CE-CG 3.7Å; M298-R307 HydrophobicContact SD-CG 3.84Å; M298-A310 HydrophobicContact CE-CB 4.05Å; M298-I311 HydrophobicContact CE-CD1 3.82Å; M298-I311 HydrophobicContact CE-CG1 3.42Å; M298-I311 VanDerWaalsContact CE-CG1 3.42Å; M298-V336 HydrophobicContact CB-CG1 4.28Å; M298-V336 HydrophobicContact CE-CB 4.26Å; M298-V336 HydrophobicContact CE-CG1 4.32Å; M298-V336 HydrophobicContact CE-CG2 4.15Å; M298-V336 HydrophobicContact CG-CG1 3.9Å; M298-V336 HydrophobicContact SD-CB 4.05Å; M298-V336 HydrophobicContact SD-CG1 3.78Å |
| 299 | G | 91.8 | Very high | 94 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 22% | 0.216 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 1.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H259 L295 T296 I297 | H259-G299 PolarHBondContact CD2-O 2.83Å; L295-G299 PolarHBondContact O-N 3.5Å; L295-G299 VanDerWaalsContact O-N 3.07Å; T296-G299 PolarHBondContact O-N 3.46Å; T296-G299 VanDerWaalsContact O-N 3.11Å; I297-G299 VanDerWaalsContact C-N 3.33Å |
| 300 | I | 94 | Very high | 94 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 171.2 | -179.5 | 70.9 | 177.9 | 0 | 0 | 0 | 111.1 | L272 T296 S302 | L272-I300 HydrophobicContact CD1-CD1 3.54Å; T296-I300 WeakPolarHBondContact O-CG1 3.5Å; T296-I300 WeakPolarHBondContact O-CG2 3.46Å; T296-I300 PolarHBondContact O-N 2.87Å; I300-S302 PolarHBondContact O-N 3.44Å |
| 301 | E | 91.6 | Very high | 94 | Very high | 95 Ų | 95 | 32.3 Ų | 32.3 | 44% | 0.444 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 65.6 | 174 | -68.9 | 179.9 | -140.1 | 0 | 0 | 110.9 | K262 S265 | K262-E301 WeakPolarHBondContact CB-OE2 3.47Å; S265-E301 PolarHBondContact OG-N 3.41Å |
| 302 | S | 87.2 | Confident | 93.8 | Very high | 5 Ų | 5 | 32 Ų | 32 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | trans | -79.4 | 145.9 | -176.1 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | I297 I300 R307 | I297-S302 VanDerWaalsContact O-CB 3.28Å; I297-S302 WeakPolarHBondContact O-CB 3.47Å; I297-S302 PolarHBondContact O-OG 2.85Å; I300-S302 PolarHBondContact O-N 3.44Å; S302-R307 PolarHBondContact O-NH2 3.08Å | ||
| 303 | D | 90.5 | Very high | 93.8 | Very high | 87 Ų | 87 | 32.5 Ų | 32.5 | 47% | 0.465 | 19% | 0.188 | S | C | . | . | trans | -58.4 | 144.5 | 173.7 | -73.8 | -44.9 | 0 | 0 | 0 | 111.8 | N269 G305 L306 R307 | N269-D303 PolarHBondContact ND2-OD2 3.03Å; D303-G305 PolarHBondContact O-N 3.19Å; D303-G305 VanDerWaalsContact O-N 3.14Å; D303-L306 HydrophobicContact CB-CB 4.4Å; D303-L306 WeakPolarHBondContact O-CB 3.43Å; D303-L306 PolarHBondContact O-N 2.97Å; D303-R307 PolarHBondContact O-N 3.49Å | ||
| 304 | P | 89.7 | Confident | 93.8 | Very high | 88 Ų | 88 | 32.5 Ų | 32.5 | 57% | 0.571 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -54.1 | -36.6 | 178.3 | -27.4 | 35 | 0 | 0 | 0 | 113.6 | L306 R307 V308 | P304-L306 PolarHBondContact O-N 3.25Å; P304-R307 PolarHBondContact O-N 3.46Å; P304-V308 VanDerWaalsContact O-CG2 3.31Å; P304-V308 WeakPolarHBondContact O-CG2 3.5Å; P304-V308 PolarHBondContact O-N 3.28Å |
| 305 | G | 91.5 | Very high | 93.7 | Very high | 55 Ų | 55 | 32.6 Ų | 32.6 | 57% | 0.567 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -64.1 | -38.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D303 V308 L309 | D303-G305 PolarHBondContact O-N 3.19Å; D303-G305 VanDerWaalsContact O-N 3.14Å; G305-V308 PolarHBondContact O-N 3.45Å; G305-L309 PolarHBondContact O-N 2.7Å |
| 306 | L | 92.9 | Very high | 93.7 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.6 | -35.8 | 177.5 | -172.8 | 58.6 | 0 | 0 | 0 | 111.3 | N269 L272 A273 I297 D303 P304 L309 A310 | N269-L306 HydrophobicContact CB-CD2 4.22Å; N269-L306 WeakPolarHBondContact OD1-CD2 3.47Å; L272-L306 HydrophobicContact CB-CD1 4.46Å; L272-L306 HydrophobicContact CB-CD2 4.11Å; L272-L306 HydrophobicContact CD1-CD2 4.32Å; A273-L306 HydrophobicContact CB-CD1 4.13Å; I297-L306 HydrophobicContact CD1-CD1 3.64Å; I297-L306 HydrophobicContact CD1-CD2 4.42Å; I297-L306 HydrophobicContact CD1-CG 3.78Å; I297-L306 HydrophobicContact CG1-CD1 4.21Å; I297-L306 HydrophobicContact CG1-CD2 4.07Å; I297-L306 HydrophobicContact CG1-CG 3.87Å; I297-L306 HydrophobicContact CG2-CD2 4.49Å; I297-L306 HydrophobicContact CG2-CG 3.91Å; D303-L306 HydrophobicContact CB-CB 4.4Å; D303-L306 WeakPolarHBondContact O-CB 3.43Å; D303-L306 PolarHBondContact O-N 2.97Å; P304-L306 PolarHBondContact O-N 3.25Å; L306-L309 HydrophobicContact CD1-CD2 4.18Å; L306-L309 WeakPolarHBondContact O-CB 3.31Å; L306-L309 PolarHBondContact O-N 2.83Å; L306-A310 PolarHBondContact O-N 3.05Å |
| 307 | R | 93.6 | Very high | 93.7 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 172.6 | -163.6 | 177.7 | -53.9 | 142.9 | 14 | 112.6 | M298 S302 D303 P304 L309 A310 I311 | M298-R307 HydrophobicContact CE-CG 3.7Å; M298-R307 HydrophobicContact SD-CG 3.84Å; S302-R307 PolarHBondContact O-NH2 3.08Å; D303-R307 PolarHBondContact O-N 3.49Å; P304-R307 PolarHBondContact O-N 3.46Å; R307-L309 VanDerWaalsContact C-N 3.32Å; R307-L309 PolarHBondContact O-N 3.07Å; R307-A310 PolarHBondContact O-N 3.23Å; R307-I311 HydrophobicContact CG-CD1 4.48Å; R307-I311 WeakPolarHBondContact O-CG1 3.48Å; R307-I311 PolarHBondContact O-N 3.21Å |
| 308 | V | 95.3 | Very high | 93.7 | Very high | 32 Ų | 32 | 38.1 Ų | 38.1 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 172.5 | 170.2 | 0 | 0 | 0 | 0 | 111 | P304 G305 I311 N312 A343 | P304-V308 VanDerWaalsContact O-CG2 3.31Å; P304-V308 WeakPolarHBondContact O-CG2 3.5Å; P304-V308 PolarHBondContact O-N 3.28Å; G305-V308 PolarHBondContact O-N 3.45Å; V308-I311 PolarHBondContact O-N 3.06Å; V308-N312 WeakPolarHBondContact O-CB 3.5Å; V308-N312 PolarHBondContact O-N 3.04Å; V308-N312 PolarHBondContact O-ND2 3.16Å; V308-A343 HydrophobicContact CG2-CB 4.07Å |
| 309 | L | 93.9 | Very high | 93.7 | Very high | 51 Ų | 51 | 41.2 Ų | 41.2 | 27% | 0.267 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 174.2 | 179.2 | 61.5 | 0 | 0 | 0 | 111.7 | A276 G305 L306 R307 I311 N312 I313 | A276-L309 HydrophobicContact CB-CD2 3.76Å; A276-L309 HydrophobicContact CB-CG 4.34Å; G305-L309 PolarHBondContact O-N 2.7Å; L306-L309 HydrophobicContact CD1-CD2 4.18Å; L306-L309 WeakPolarHBondContact O-CB 3.31Å; L306-L309 PolarHBondContact O-N 2.83Å; R307-L309 VanDerWaalsContact C-N 3.32Å; R307-L309 PolarHBondContact O-N 3.07Å; L309-I311 PolarHBondContact O-N 3.26Å; L309-N312 PolarHBondContact O-N 3.06Å; L309-I313 HydrophobicContact CG-CD1 4.41Å; L309-I313 WeakPolarHBondContact O-CG1 3.46Å; L309-I313 PolarHBondContact O-N 3.4Å |
| 310 | A | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V294 I297 M298 L306 R307 N312 I313 L314 | V294-A310 HydrophobicContact CB-CB 4.42Å; V294-A310 HydrophobicContact CG1-CB 4.31Å; V294-A310 HydrophobicContact CG2-CB 4.05Å; V294-A310 WeakPolarHBondContact CG2-O 3.28Å; I297-A310 HydrophobicContact CB-CB 4.11Å; I297-A310 HydrophobicContact CD1-CB 4.01Å; I297-A310 HydrophobicContact CG2-CB 3.79Å; M298-A310 HydrophobicContact CE-CB 4.05Å; L306-A310 PolarHBondContact O-N 3.05Å; R307-A310 PolarHBondContact O-N 3.23Å; A310-N312 VanDerWaalsContact C-N 3.35Å; A310-I313 WeakPolarHBondContact O-CB 3.47Å; A310-I313 PolarHBondContact O-N 3.44Å; A310-L314 PolarHBondContact O-N 3.24Å; A310-L314 VanDerWaalsContact O-N 3.15Å |
| 311 | I | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 175.9 | -68.6 | 169 | 0 | 0 | 0 | 111.4 | M298 R307 V308 L309 I313 L314 G315 L333 D340 A343 V344 | M298-I311 HydrophobicContact CE-CD1 3.82Å; M298-I311 HydrophobicContact CE-CG1 3.42Å; M298-I311 VanDerWaalsContact CE-CG1 3.42Å; R307-I311 HydrophobicContact CG-CD1 4.48Å; R307-I311 WeakPolarHBondContact O-CG1 3.48Å; R307-I311 PolarHBondContact O-N 3.21Å; V308-I311 PolarHBondContact O-N 3.06Å; L309-I311 PolarHBondContact O-N 3.26Å; I311-I313 VanDerWaalsContact C-N 3.32Å; I311-I313 PolarHBondContact O-N 2.87Å; I311-L314 PolarHBondContact O-N 3.15Å; I311-G315 PolarHBondContact O-N 3.11Å; I311-L333 HydrophobicContact CG2-CD2 4.27Å; I311-D340 HydrophobicContact CD1-CB 3.86Å; I311-A343 HydrophobicContact CB-CB 4.19Å; I311-A343 HydrophobicContact CD1-CB 3.5Å; I311-A343 VanDerWaalsContact CD1-CB 3.5Å; I311-A343 HydrophobicContact CG1-CB 4.42Å; I311-A343 HydrophobicContact CG2-CB 4.02Å; I311-V344 HydrophobicContact CD1-CG2 4.02Å; I311-V344 HydrophobicContact CG1-CG2 4.43Å; I311-V344 HydrophobicContact CG2-CG2 3.97Å |
| 312 | N | 95.2 | Very high | 93.9 | Very high | 53 Ų | 53 | 44.5 Ų | 44.5 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.4 | -32.1 | 174.4 | -68.4 | -24.7 | 0 | 0 | 0 | 112.9 | V308 L309 A310 G315 R316 H347 | V308-N312 WeakPolarHBondContact O-CB 3.5Å; V308-N312 PolarHBondContact O-N 3.04Å; V308-N312 PolarHBondContact O-ND2 3.16Å; L309-N312 PolarHBondContact O-N 3.06Å; A310-N312 VanDerWaalsContact C-N 3.35Å; N312-G315 PolarHBondContact O-N 3.44Å; N312-R316 WeakPolarHBondContact O-CG 3.5Å; N312-R316 PolarHBondContact O-N 3.39Å; N312-R316 VanDerWaalsContact O-N 3.08Å; N312-H347 PolarHBondContact OD1-NE2 3.45Å |
| 313 | I | 96.2 | Very high | 94.2 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.072 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 171.5 | -68.6 | 162.7 | 0 | 0 | 0 | 110.2 | A276 L290 V294 L309 A310 I311 G315 R316 F317 | A276-I313 HydrophobicContact CB-CD1 3.96Å; L290-I313 HydrophobicContact CB-CG2 4.01Å; L290-I313 HydrophobicContact CD2-CD1 4.05Å; V294-I313 HydrophobicContact CG2-CB 3.92Å; V294-I313 HydrophobicContact CG2-CD1 4.34Å; V294-I313 HydrophobicContact CG2-CG2 3.77Å; L309-I313 HydrophobicContact CG-CD1 4.41Å; L309-I313 WeakPolarHBondContact O-CG1 3.46Å; L309-I313 PolarHBondContact O-N 3.4Å; A310-I313 WeakPolarHBondContact O-CB 3.47Å; A310-I313 PolarHBondContact O-N 3.44Å; I311-I313 VanDerWaalsContact C-N 3.32Å; I311-I313 PolarHBondContact O-N 2.87Å; I313-G315 VanDerWaalsContact C-N 3.34Å; I313-G315 PolarHBondContact O-N 3.07Å; I313-R316 WeakPolarHBondContact O-CB 3.38Å; I313-R316 PolarHBondContact O-N 2.97Å; I313-R316 VanDerWaalsContact O-N 3.16Å; I313-F317 HydrophobicContact CG2-CD1 4.29Å; I313-F317 HydrophobicContact CG2-CE1 3.71Å; I313-F317 HydrophobicContact CG2-CE2 4.49Å; I313-F317 HydrophobicContact CG2-CZ 3.84Å; I313-F317 WeakPolarHBondContact O-CD1 3.28Å; I313-F317 PolarHBondContact O-N 3.34Å |
| 314 | L | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 175.1 | -67.5 | 177.9 | 0 | 0 | 0 | 112.4 | V294 A310 I311 R316 F317 L318 A329 T332 L333 | V294-L314 HydrophobicContact CG1-CD1 3.75Å; V294-L314 HydrophobicContact CG1-CD2 3.94Å; V294-L314 HydrophobicContact CG1-CG 3.77Å; V294-L314 HydrophobicContact CG2-CG 4.35Å; A310-L314 PolarHBondContact O-N 3.24Å; A310-L314 VanDerWaalsContact O-N 3.15Å; I311-L314 PolarHBondContact O-N 3.15Å; L314-R316 VanDerWaalsContact C-N 3.3Å; L314-R316 PolarHBondContact O-N 3.38Å; L314-F317 HydrophobicContact CD2-CD2 4.31Å; L314-F317 WeakPolarHBondContact O-CB 3.47Å; L314-F317 PolarHBondContact O-N 2.74Å; L314-L318 PolarHBondContact O-N 3.28Å; L314-A329 HydrophobicContact CD2-CB 4.31Å; L314-T332 HydrophobicContact CD1-CG2 3.8Å; L314-T332 HydrophobicContact CD2-CG2 4.26Å; L314-L333 HydrophobicContact CB-CD1 4.3Å; L314-L333 HydrophobicContact CB-CD2 3.71Å; L314-L333 HydrophobicContact CB-CG 3.9Å; L314-L333 HydrophobicContact CD1-CD2 3.68Å; L314-L333 HydrophobicContact CD1-CG 3.95Å; L314-L333 HydrophobicContact CG-CD2 4.37Å |
| 315 | G | 95.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59 | -38.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | I311 N312 I313 L318 | I311-G315 PolarHBondContact O-N 3.11Å; N312-G315 PolarHBondContact O-N 3.44Å; I313-G315 VanDerWaalsContact C-N 3.34Å; I313-G315 PolarHBondContact O-N 3.07Å; G315-L318 WeakPolarHBondContact O-CB 3.46Å; G315-L318 PolarHBondContact O-N 3.33Å |
| 316 | R | 94.9 | Very high | 94.9 | Very high | 149 Ų | 149 | 47.2 Ų | 47.2 | 56% | 0.562 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68 | -32.7 | 172.5 | -72.2 | 173.4 | 64.6 | 133 | -3.9 | 112.8 | T281 N312 I313 L314 L318 L319 | T281-R316 PolarHBondContact OG1-NH2 3.11Å; T281-R316 VanDerWaalsContact OG1-NH2 3.08Å; N312-R316 WeakPolarHBondContact O-CG 3.5Å; N312-R316 PolarHBondContact O-N 3.39Å; N312-R316 VanDerWaalsContact O-N 3.08Å; I313-R316 WeakPolarHBondContact O-CB 3.38Å; I313-R316 PolarHBondContact O-N 2.97Å; I313-R316 VanDerWaalsContact O-N 3.16Å; L314-R316 VanDerWaalsContact C-N 3.3Å; L314-R316 PolarHBondContact O-N 3.38Å; R316-L318 VanDerWaalsContact C-N 3.29Å; R316-L318 PolarHBondContact O-N 3.36Å; R316-L319 PolarHBondContact O-N 3.02Å |
| 317 | F | 96.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.8 | -28 | 176.3 | -74.1 | 10.5 | 0 | 0 | 0 | 112.8 | H287 L290 Y291 I313 L314 L319 N320 I325 A329 | H287-F317 HydrophobicContact CB-CE1 4.36Å; H287-F317 HydrophobicContact CB-CZ 4.18Å; H287-F317 AromaticContact CD2-CE1 3.76Å; H287-F317 WeakPolarHBondContact O-CZ 3.46Å; L290-F317 HydrophobicContact CB-CE1 4.2Å; L290-F317 HydrophobicContact CB-CZ 3.75Å; L290-F317 HydrophobicContact CD1-CE1 4.48Å; Y291-F317 HydrophobicContact CD2-CE2 4.35Å; I313-F317 HydrophobicContact CG2-CD1 4.29Å; I313-F317 HydrophobicContact CG2-CE1 3.71Å; I313-F317 HydrophobicContact CG2-CE2 4.49Å; I313-F317 HydrophobicContact CG2-CZ 3.84Å; I313-F317 WeakPolarHBondContact O-CD1 3.28Å; I313-F317 PolarHBondContact O-N 3.34Å; L314-F317 HydrophobicContact CD2-CD2 4.31Å; L314-F317 WeakPolarHBondContact O-CB 3.47Å; L314-F317 PolarHBondContact O-N 2.74Å; F317-L319 PolarHBondContact O-N 2.82Å; F317-N320 WeakPolarHBondContact O-CB 3.19Å; F317-N320 PolarHBondContact O-N 2.9Å; F317-N320 VanDerWaalsContact O-N 3.15Å; F317-I325 HydrophobicContact CB-CG2 3.71Å; F317-I325 HydrophobicContact CD1-CG2 4.29Å; F317-I325 HydrophobicContact CD2-CG2 3.9Å; F317-I325 HydrophobicContact CG-CG2 3.71Å; F317-A329 HydrophobicContact CB-CB 3.54Å; F317-A329 HydrophobicContact CD2-CB 4.29Å; F317-A329 HydrophobicContact CG-CB 4.46Å |
| 318 | L | 95.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -27.2 | 173.4 | -59.2 | -180 | 0 | 0 | 0 | 112.8 | L314 G315 R316 N320 R326 A329 L330 L333 I351 | L314-L318 PolarHBondContact O-N 3.28Å; G315-L318 WeakPolarHBondContact O-CB 3.46Å; G315-L318 PolarHBondContact O-N 3.33Å; R316-L318 VanDerWaalsContact C-N 3.29Å; R316-L318 PolarHBondContact O-N 3.36Å; L318-N320 VanDerWaalsContact C-N 3.34Å; L318-R326 WeakPolarHBondContact O-CD 3.46Å; L318-R326 WeakPolarHBondContact O-CG 3.33Å; L318-R326 PolarHBondContact O-NE 3.35Å; L318-A329 HydrophobicContact CD2-CB 3.89Å; L318-L330 HydrophobicContact CD2-CD2 3.55Å; L318-L330 HydrophobicContact CD2-CG 3.61Å; L318-L333 HydrophobicContact CD1-CD1 3.84Å; L318-L333 HydrophobicContact CD2-CD1 4.19Å; L318-L333 HydrophobicContact CG-CD1 4.22Å; L318-I351 HydrophobicContact CD1-CD1 4.39Å; L318-I351 HydrophobicContact CD1-CG1 3.42Å; L318-I351 VanDerWaalsContact CD1-CG1 3.42Å |
| 319 | L | 94.3 | Very high | 95.3 | Very high | 111 Ų | 111 | 48 Ų | 48 | 58% | 0.581 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -10.6 | 179.8 | -59.3 | 176.7 | 0 | 0 | 0 | 113.3 | R316 F317 T321 R326 T350 | R316-L319 PolarHBondContact O-N 3.02Å; F317-L319 PolarHBondContact O-N 2.82Å; L319-T321 PolarHBondContact O-N 3.32Å; L319-R326 PolarHBondContact O-NH2 3.1Å; L319-T350 HydrophobicContact CD2-CG2 3.77Å; L319-T350 HydrophobicContact CG-CG2 4.46Å |
| 320 | N | 94.1 | Very high | 95.5 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 19% | 0.193 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -62.9 | -19 | -150.1 | -159.6 | -95.5 | 0 | 0 | 0 | 119.1 | H287 F317 L318 D322 I325 | H287-N320 PolarHBondContact CE1-ND2 3.48Å; H287-N320 PolarHBondContact NE2-ND2 2.92Å; F317-N320 WeakPolarHBondContact O-CB 3.19Å; F317-N320 PolarHBondContact O-N 2.9Å; F317-N320 VanDerWaalsContact O-N 3.15Å; L318-N320 VanDerWaalsContact C-N 3.34Å; N320-D322 PolarHBondContact O-N 2.97Å; N320-I325 HydrophobicContact CB-CB 4.24Å; N320-I325 HydrophobicContact CB-CG2 3.74Å; N320-I325 WeakPolarHBondContact OD1-CD1 3.41Å |
| 321 | T | 92.1 | Very high | 95.5 | Very high | 118 Ų | 118 | 46.9 Ų | 46.9 | 72% | 0.724 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 74.5 | -32.2 | -166.8 | 74.8 | 0 | 0 | 0 | 0 | 115.8 | L319 K323 | L319-T321 PolarHBondContact O-N 3.32Å; T321-K323 PolarHBondContact O-N 3.27Å |
| 322 | D | 94.1 | Very high | 95.6 | Very high | 43 Ų | 43 | 47 Ų | 47 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | trans | -71.3 | 124.6 | 167 | -170.5 | -34 | 0 | 0 | 0 | 109.9 | N284 N320 D324 I325 R326 | N284-D322 PolarHBondContact ND2-OD2 2.84Å; N320-D322 PolarHBondContact O-N 2.97Å; D322-D324 PolarHBondContact OD1-N 3.39Å; D322-I325 HydrophobicContact CB-CB 4.14Å; D322-I325 HydrophobicContact CB-CD1 3.91Å; D322-I325 HydrophobicContact CB-CG1 4.05Å; D322-R326 WeakPolarHBondContact O-CG 3.36Å; D322-R326 PolarHBondContact O-N 2.97Å | ||
| 323 | K | 93.6 | Very high | 95.6 | Very high | 96 Ų | 96 | 44.5 Ų | 44.5 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.5 | -38 | -177.3 | -67.9 | -165.8 | 176.9 | 79.9 | 0 | 112.3 | T321 I325 R326 Y327 D359 I362 | T321-K323 PolarHBondContact O-N 3.27Å; K323-I325 VanDerWaalsContact C-N 3.3Å; K323-I325 PolarHBondContact O-N 2.73Å; K323-R326 PolarHBondContact O-N 3.36Å; K323-Y327 WeakPolarHBondContact O-CB 3.35Å; K323-Y327 PolarHBondContact O-N 3Å; K323-D359 HydrophobicContact CD-CB 3.94Å; K323-D359 WeakPolarHBondContact CD-OD2 3.28Å; K323-I362 HydrophobicContact CB-CD1 4.04Å; K323-I362 HydrophobicContact CG-CD1 4.28Å |
| 324 | D | 95.2 | Very high | 95.6 | Very high | 123 Ų | 123 | 45.6 Ų | 45.6 | 66% | 0.658 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65.7 | -40.7 | -177.9 | -68.3 | -25 | 0 | 0 | 0 | 109.9 | D322 Y327 V328 | D322-D324 PolarHBondContact OD1-N 3.39Å; D324-Y327 PolarHBondContact O-N 2.71Å; D324-V328 VanDerWaalsContact O-CB 3.3Å; D324-V328 WeakPolarHBondContact O-CB 3.44Å; D324-V328 VanDerWaalsContact O-CG2 3.23Å; D324-V328 WeakPolarHBondContact O-CG2 3.47Å; D324-V328 PolarHBondContact O-N 3.31Å |
| 325 | I | 95.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 176.9 | -65 | -179.8 | 0 | 0 | 0 | 111.1 | H287 F317 N320 D322 K323 A329 | H287-I325 HydrophobicContact CB-CD1 3.78Å; H287-I325 WeakPolarHBondContact ND1-CD1 3.45Å; F317-I325 HydrophobicContact CB-CG2 3.71Å; F317-I325 HydrophobicContact CD1-CG2 4.29Å; F317-I325 HydrophobicContact CD2-CG2 3.9Å; F317-I325 HydrophobicContact CG-CG2 3.71Å; N320-I325 HydrophobicContact CB-CB 4.24Å; N320-I325 HydrophobicContact CB-CG2 3.74Å; N320-I325 WeakPolarHBondContact OD1-CD1 3.41Å; D322-I325 HydrophobicContact CB-CB 4.14Å; D322-I325 HydrophobicContact CB-CD1 3.91Å; D322-I325 HydrophobicContact CB-CG1 4.05Å; K323-I325 VanDerWaalsContact C-N 3.3Å; K323-I325 PolarHBondContact O-N 2.73Å; I325-A329 VanDerWaalsContact O-CB 3.29Å; I325-A329 WeakPolarHBondContact O-CB 3.38Å; I325-A329 PolarHBondContact O-N 3.06Å |
| 326 | R | 96.5 | Very high | 95.2 | Very high | 53 Ų | 53 | 54.9 Ų | 54.9 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 174.7 | -73.2 | -179.3 | 170.3 | 172.6 | 6.7 | 112.2 | L318 L319 D322 K323 A329 L330 D357 I362 | L318-R326 WeakPolarHBondContact O-CD 3.46Å; L318-R326 WeakPolarHBondContact O-CG 3.33Å; L318-R326 PolarHBondContact O-NE 3.35Å; L319-R326 PolarHBondContact O-NH2 3.1Å; D322-R326 WeakPolarHBondContact O-CG 3.36Å; D322-R326 PolarHBondContact O-N 2.97Å; K323-R326 PolarHBondContact O-N 3.36Å; R326-A329 PolarHBondContact O-N 2.65Å; R326-L330 PolarHBondContact O-N 2.77Å; R326-D357 IonicContact CZ-OD2 2.86Å; R326-D357 IonicContact NH1-OD2 2.84Å; R326-D357 PolarHBondContact NH1-OD2 3.04Å; R326-I362 HydrophobicContact CB-CD1 3.89Å |
| 327 | Y | 97.6 | Very high | 95 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 31% | 0.314 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -47.8 | -179.7 | 179.8 | -95.5 | 0 | 0 | 0 | 111.9 | K323 D324 A329 L330 N331 I362 R365 | K323-Y327 WeakPolarHBondContact O-CB 3.35Å; K323-Y327 PolarHBondContact O-N 3Å; D324-Y327 PolarHBondContact O-N 2.71Å; Y327-A329 VanDerWaalsContact C-N 3.28Å; Y327-A329 PolarHBondContact O-N 3.27Å; Y327-L330 PolarHBondContact O-N 2.64Å; Y327-N331 WeakPolarHBondContact O-CB 3.41Å; Y327-N331 PolarHBondContact O-N 2.8Å; Y327-I362 HydrophobicContact CD2-CG1 4.47Å; Y327-R365 HydrophobicContact CD2-CG 4.19Å; Y327-R365 HydrophobicContact CE2-CG 3.59Å |
| 328 | V | 95.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 56.7 Ų | 56.7 | 28% | 0.279 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62 | -37.6 | 177.3 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | Y291 D324 T332 | Y291-V328 HydrophobicContact CD1-CG1 4.22Å; Y291-V328 HydrophobicContact CD2-CG1 3.78Å; Y291-V328 HydrophobicContact CE1-CG1 3.74Å; Y291-V328 HydrophobicContact CE2-CG1 3.28Å; Y291-V328 HydrophobicContact CG-CG1 4.24Å; D324-V328 VanDerWaalsContact O-CB 3.3Å; D324-V328 WeakPolarHBondContact O-CB 3.44Å; D324-V328 VanDerWaalsContact O-CG2 3.23Å; D324-V328 WeakPolarHBondContact O-CG2 3.47Å; D324-V328 PolarHBondContact O-N 3.31Å; V328-T332 WeakPolarHBondContact O-CB 3.45Å; V328-T332 PolarHBondContact O-N 3.09Å; V328-T332 PolarHBondContact O-OG1 3.15Å |
| 329 | A | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -48 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L314 F317 L318 I325 R326 Y327 T332 L333 | L314-A329 HydrophobicContact CD2-CB 4.31Å; F317-A329 HydrophobicContact CB-CB 3.54Å; F317-A329 HydrophobicContact CD2-CB 4.29Å; F317-A329 HydrophobicContact CG-CB 4.46Å; L318-A329 HydrophobicContact CD2-CB 3.89Å; I325-A329 VanDerWaalsContact O-CB 3.29Å; I325-A329 WeakPolarHBondContact O-CB 3.38Å; I325-A329 PolarHBondContact O-N 3.06Å; R326-A329 PolarHBondContact O-N 2.65Å; Y327-A329 VanDerWaalsContact C-N 3.28Å; Y327-A329 PolarHBondContact O-N 3.27Å; A329-T332 PolarHBondContact O-N 3.04Å; A329-L333 WeakPolarHBondContact O-CB 3.31Å; A329-L333 VanDerWaalsContact O-CG 3.31Å; A329-L333 WeakPolarHBondContact O-CG 3.37Å; A329-L333 PolarHBondContact O-N 3.5Å |
| 330 | L | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 175.8 | -72.3 | 172.3 | 0 | 0 | 0 | 112.1 | L318 R326 Y327 T332 L333 L334 I351 C354 I362 R365 A366 L369 | L318-L330 HydrophobicContact CD2-CD2 3.55Å; L318-L330 HydrophobicContact CD2-CG 3.61Å; R326-L330 PolarHBondContact O-N 2.77Å; Y327-L330 PolarHBondContact O-N 2.64Å; L330-T332 PolarHBondContact O-N 3.48Å; L330-L333 PolarHBondContact O-N 2.96Å; L330-L334 WeakPolarHBondContact O-CB 3.35Å; L330-L334 PolarHBondContact O-N 3.14Å; L330-I351 HydrophobicContact CD2-CG2 4.34Å; L330-C354 HydrophobicContact CD1-CB 4.18Å; L330-I362 HydrophobicContact CD1-CB 4.45Å; L330-I362 HydrophobicContact CD1-CG2 3.65Å; L330-R365 HydrophobicContact CB-CB 3.91Å; L330-R365 HydrophobicContact CD1-CB 4.15Å; L330-A366 HydrophobicContact CD1-CB 4.22Å; L330-L369 HydrophobicContact CD2-CD2 3.81Å |
| 331 | N | 96.3 | Very high | 93.6 | Very high | 26 Ų | 26 | 56.2 Ų | 56.2 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -32.1 | 177.8 | 165 | 77.6 | 0 | 0 | 0 | 112.3 | Y327 R335 | Y327-N331 WeakPolarHBondContact O-CB 3.41Å; Y327-N331 PolarHBondContact O-N 2.8Å; N331-R335 PolarHBondContact ND2-NH2 3.24Å; N331-R335 WeakPolarHBondContact O-CG 3.49Å; N331-R335 PolarHBondContact O-N 3.37Å; N331-R335 PolarHBondContact OD1-NE 2.95Å; N331-R335 PolarHBondContact OD1-NH2 2.95Å; N331-R335 VanDerWaalsContact OD1-NH2 3.13Å |
| 332 | T | 96.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -78.5 | -42.4 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | Y291 V294 L295 L314 V328 A329 L330 L334 R335 V336 | Y291-T332 HydrophobicContact CE2-CG2 4.3Å; Y291-T332 WeakPolarHBondContact CE2-OG1 3.09Å; Y291-T332 PolarHBondContact OH-OG1 3.27Å; V294-T332 HydrophobicContact CG1-CG2 4.44Å; L295-T332 HydrophobicContact CD2-CG2 4.04Å; L314-T332 HydrophobicContact CD1-CG2 3.8Å; L314-T332 HydrophobicContact CD2-CG2 4.26Å; V328-T332 WeakPolarHBondContact O-CB 3.45Å; V328-T332 PolarHBondContact O-N 3.09Å; V328-T332 PolarHBondContact O-OG1 3.15Å; A329-T332 PolarHBondContact O-N 3.04Å; L330-T332 PolarHBondContact O-N 3.48Å; T332-L334 VanDerWaalsContact C-N 3.29Å; T332-L334 PolarHBondContact O-N 2.97Å; T332-R335 PolarHBondContact O-N 3.01Å; T332-R335 VanDerWaalsContact O-N 3.08Å; T332-V336 PolarHBondContact O-N 3.35Å; T332-V336 VanDerWaalsContact O-N 3.12Å |
| 333 | L | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.7 | -42.7 | 173.4 | -74.7 | 171.9 | 0 | 0 | 0 | 111.5 | I311 L314 L318 A329 L330 R335 V336 V337 V344 I351 L369 | I311-L333 HydrophobicContact CG2-CD2 4.27Å; L314-L333 HydrophobicContact CB-CD1 4.3Å; L314-L333 HydrophobicContact CB-CD2 3.71Å; L314-L333 HydrophobicContact CB-CG 3.9Å; L314-L333 HydrophobicContact CD1-CD2 3.68Å; L314-L333 HydrophobicContact CD1-CG 3.95Å; L314-L333 HydrophobicContact CG-CD2 4.37Å; L318-L333 HydrophobicContact CD1-CD1 3.84Å; L318-L333 HydrophobicContact CD2-CD1 4.19Å; L318-L333 HydrophobicContact CG-CD1 4.22Å; A329-L333 WeakPolarHBondContact O-CB 3.31Å; A329-L333 VanDerWaalsContact O-CG 3.31Å; A329-L333 WeakPolarHBondContact O-CG 3.37Å; A329-L333 PolarHBondContact O-N 3.5Å; L330-L333 PolarHBondContact O-N 2.96Å; L333-R335 VanDerWaalsContact C-N 3.29Å; L333-R335 PolarHBondContact O-N 2.83Å; L333-V336 PolarHBondContact O-N 2.99Å; L333-V337 WeakPolarHBondContact O-CB 3.31Å; L333-V337 PolarHBondContact O-N 3.47Å; L333-V344 HydrophobicContact CD2-CG1 4.15Å; L333-V344 HydrophobicContact CD2-CG2 4.1Å; L333-I351 HydrophobicContact CD1-CD1 4.39Å; L333-L369 HydrophobicContact CB-CD1 4.38Å; L333-L369 HydrophobicContact CB-CD2 3.67Å; L333-L369 HydrophobicContact CD1-CD2 4.17Å |
| 334 | L | 95 | Very high | 93.4 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -33.2 | 175.9 | -175.2 | 62.8 | 0 | 0 | 0 | 113.2 | L330 T332 V337 D368 L369 A372 | L330-L334 WeakPolarHBondContact O-CB 3.35Å; L330-L334 PolarHBondContact O-N 3.14Å; T332-L334 VanDerWaalsContact C-N 3.29Å; T332-L334 PolarHBondContact O-N 2.97Å; L334-V337 WeakPolarHBondContact O-CG1 3.42Å; L334-D368 HydrophobicContact CD1-CB 4.21Å; L334-D368 HydrophobicContact CD2-CB 3.8Å; L334-L369 HydrophobicContact CB-CD1 4.43Å; L334-L369 HydrophobicContact CD1-CB 4.48Å; L334-L369 HydrophobicContact CD1-CD1 4.35Å; L334-A372 HydrophobicContact CD1-CB 4.14Å |
| 335 | R | 92.3 | Very high | 93.4 | Very high | 182 Ų | 182 | 48.6 Ų | 48.6 | 69% | 0.687 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -74.6 | -33.3 | 175.7 | -67.4 | 170.1 | -166.7 | -149.6 | -0.2 | 112.7 | N331 T332 L333 | N331-R335 PolarHBondContact ND2-NH2 3.24Å; N331-R335 WeakPolarHBondContact O-CG 3.49Å; N331-R335 PolarHBondContact O-N 3.37Å; N331-R335 PolarHBondContact OD1-NE 2.95Å; N331-R335 PolarHBondContact OD1-NH2 2.95Å; N331-R335 VanDerWaalsContact OD1-NH2 3.13Å; T332-R335 PolarHBondContact O-N 3.01Å; T332-R335 VanDerWaalsContact O-N 3.08Å; L333-R335 VanDerWaalsContact C-N 3.29Å; L333-R335 PolarHBondContact O-N 2.83Å |
| 336 | V | 90.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -97.7 | -6.8 | -175.5 | -53.4 | 0 | 0 | 0 | 0 | 114.3 | M298 T332 L333 Y338 A339 D340 | M298-V336 HydrophobicContact CB-CG1 4.28Å; M298-V336 HydrophobicContact CE-CB 4.26Å; M298-V336 HydrophobicContact CE-CG1 4.32Å; M298-V336 HydrophobicContact CE-CG2 4.15Å; M298-V336 HydrophobicContact CG-CG1 3.9Å; M298-V336 HydrophobicContact SD-CB 4.05Å; M298-V336 HydrophobicContact SD-CG1 3.78Å; T332-V336 PolarHBondContact O-N 3.35Å; T332-V336 VanDerWaalsContact O-N 3.12Å; L333-V336 PolarHBondContact O-N 2.99Å; V336-Y338 PolarHBondContact O-N 2.82Å; V336-Y338 VanDerWaalsContact O-N 3.16Å; V336-A339 WeakPolarHBondContact O-CB 3.44Å; V336-A339 PolarHBondContact O-N 3.46Å; V336-D340 PolarHBondContact O-N 2.88Å |
| 337 | V | 91.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -33.2 | -176.9 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | L333 L334 S341 L369 A372 L373 | L333-V337 WeakPolarHBondContact O-CB 3.31Å; L333-V337 PolarHBondContact O-N 3.47Å; L334-V337 WeakPolarHBondContact O-CG1 3.42Å; V337-S341 WeakPolarHBondContact O-CA 3.06Å; V337-S341 WeakPolarHBondContact O-CB 3.41Å; V337-S341 PolarHBondContact O-N 2.73Å; V337-L369 HydrophobicContact CB-CD1 4.34Å; V337-L369 HydrophobicContact CG2-CD1 4.33Å; V337-A372 HydrophobicContact CG1-CB 4.19Å; V337-L373 HydrophobicContact CG2-CD2 3.59Å; V337-L373 HydrophobicContact CG2-CG 4.19Å |
| 338 | Y | 87.7 | Confident | 93.1 | Very high | 194 Ų | 194 | 53.5 Ų | 53.5 | 76% | 0.761 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -21.8 | 177.2 | -59.1 | -72.8 | 0 | 0 | 0 | 113.4 | V336 | V336-Y338 PolarHBondContact O-N 2.82Å; V336-Y338 VanDerWaalsContact O-N 3.16Å |
| 339 | A | 86.5 | Confident | 93 | Very high | 68 Ų | 68 | 57 Ų | 57 | 56% | 0.562 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -34.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V336 | V336-A339 WeakPolarHBondContact O-CB 3.44Å; V336-A339 PolarHBondContact O-N 3.46Å |
| 340 | D | 88.2 | Confident | 92.9 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 15% | 0.15 | 27% | 0.273 | C | S | . | . | trans | -149.7 | 74.8 | 172.5 | -169.8 | -12.8 | 0 | 0 | 0 | 111.8 | I311 V336 K342 A343 V344 | I311-D340 HydrophobicContact CD1-CB 3.86Å; V336-D340 PolarHBondContact O-N 2.88Å; D340-K342 VanDerWaalsContact C-N 3.26Å; D340-K342 PolarHBondContact O-N 3Å; D340-K342 PolarHBondContact OD1-N 3.15Å; D340-A343 HydrophobicContact CB-CB 4.36Å; D340-A343 VanDerWaalsContact CG-CB 3.47Å; D340-A343 PolarHBondContact O-N 3.25Å; D340-A343 WeakPolarHBondContact OD1-CB 3.43Å; D340-A343 PolarHBondContact OD1-N 3.33Å; D340-A343 WeakPolarHBondContact OD2-CB 3.35Å; D340-V344 PolarHBondContact O-N 3.44Å | ||
| 341 | S | 88.7 | Confident | 92.8 | Very high | 45 Ų | 45 | 58.6 Ų | 58.6 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.5 | -40.4 | 177.1 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | V337 A343 V344 Q345 | V337-S341 WeakPolarHBondContact O-CA 3.06Å; V337-S341 WeakPolarHBondContact O-CB 3.41Å; V337-S341 PolarHBondContact O-N 2.73Å; S341-A343 VanDerWaalsContact C-N 3.31Å; S341-A343 PolarHBondContact O-N 3.25Å; S341-V344 PolarHBondContact O-N 3.49Å; S341-V344 VanDerWaalsContact O-N 3.11Å; S341-Q345 WeakPolarHBondContact O-CG 3.44Å; S341-Q345 PolarHBondContact O-N 2.93Å |
| 342 | K | 90.8 | Very high | 92.8 | Very high | 179 Ų | 179 | 57.8 Ų | 57.8 | 78% | 0.778 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.1 | -38.2 | -175.8 | -68.9 | -177.2 | -179.3 | 178.1 | 0 | 112.6 | D340 | D340-K342 VanDerWaalsContact C-N 3.26Å; D340-K342 PolarHBondContact O-N 3Å; D340-K342 PolarHBondContact OD1-N 3.15Å |
| 343 | A | 91.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V308 I311 D340 S341 Q345 R346 | V308-A343 HydrophobicContact CG2-CB 4.07Å; I311-A343 HydrophobicContact CB-CB 4.19Å; I311-A343 HydrophobicContact CD1-CB 3.5Å; I311-A343 VanDerWaalsContact CD1-CB 3.5Å; I311-A343 HydrophobicContact CG1-CB 4.42Å; I311-A343 HydrophobicContact CG2-CB 4.02Å; D340-A343 HydrophobicContact CB-CB 4.36Å; D340-A343 VanDerWaalsContact CG-CB 3.47Å; D340-A343 PolarHBondContact O-N 3.25Å; D340-A343 WeakPolarHBondContact OD1-CB 3.43Å; D340-A343 PolarHBondContact OD1-N 3.33Å; D340-A343 WeakPolarHBondContact OD2-CB 3.35Å; S341-A343 VanDerWaalsContact C-N 3.31Å; S341-A343 PolarHBondContact O-N 3.25Å; A343-Q345 VanDerWaalsContact C-N 3.33Å; A343-Q345 PolarHBondContact O-N 3.17Å; A343-R346 WeakPolarHBondContact O-CB 3.46Å; A343-R346 PolarHBondContact O-N 3.22Å |
| 344 | V | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 179.4 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | I311 L333 D340 S341 R346 H347 I351 L373 | I311-V344 HydrophobicContact CD1-CG2 4.02Å; I311-V344 HydrophobicContact CG1-CG2 4.43Å; I311-V344 HydrophobicContact CG2-CG2 3.97Å; L333-V344 HydrophobicContact CD2-CG1 4.15Å; L333-V344 HydrophobicContact CD2-CG2 4.1Å; D340-V344 PolarHBondContact O-N 3.44Å; S341-V344 PolarHBondContact O-N 3.49Å; S341-V344 VanDerWaalsContact O-N 3.11Å; V344-R346 PolarHBondContact O-N 3.29Å; V344-H347 PolarHBondContact O-N 3.12Å; V344-I351 HydrophobicContact CG1-CD1 4.05Å; V344-L373 HydrophobicContact CB-CD2 4.05Å; V344-L373 HydrophobicContact CG1-CD1 4.07Å; V344-L373 HydrophobicContact CG1-CD2 3.73Å; V344-L373 HydrophobicContact CG1-CG 4.42Å |
| 345 | Q | 93.5 | Very high | 92.6 | Very high | 40 Ų | 40 | 60.6 Ų | 60.6 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -54.9 | -24.4 | 175.6 | -68.9 | -72.2 | -20 | 0 | 0 | 113.9 | S341 A343 H347 R348 L373 N375 N378 | S341-Q345 WeakPolarHBondContact O-CG 3.44Å; S341-Q345 PolarHBondContact O-N 2.93Å; A343-Q345 VanDerWaalsContact C-N 3.33Å; A343-Q345 PolarHBondContact O-N 3.17Å; Q345-H347 PolarHBondContact O-N 3.2Å; Q345-R348 WeakPolarHBondContact O-CB 3.35Å; Q345-R348 PolarHBondContact O-N 3.38Å; Q345-L373 HydrophobicContact CG-CD2 4.32Å; Q345-L373 PolarHBondContact NE2-O 3.14Å; Q345-N375 PolarHBondContact NE2-ND2 2.83Å; Q345-N378 PolarHBondContact OE1-ND2 3.3Å |
| 346 | R | 93.9 | Very high | 92.6 | Very high | 169 Ų | 169 | 58.7 Ų | 58.7 | 64% | 0.638 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -66.8 | -27 | 177 | -59.5 | -179.5 | -177.5 | -178.4 | 0 | 112.8 | A343 V344 | A343-R346 WeakPolarHBondContact O-CB 3.46Å; A343-R346 PolarHBondContact O-N 3.22Å; V344-R346 PolarHBondContact O-N 3.29Å |
| 347 | H | 95.2 | Very high | 92.7 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 15% | 0.153 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -99.4 | 12 | -180 | -58.8 | -73.3 | 0 | 0 | 0 | 112.4 | N312 V344 Q345 L349 T350 I351 | N312-H347 PolarHBondContact OD1-NE2 3.45Å; V344-H347 PolarHBondContact O-N 3.12Å; Q345-H347 PolarHBondContact O-N 3.2Å; H347-L349 VanDerWaalsContact C-N 3.3Å; H347-L349 PolarHBondContact O-N 3.23Å; H347-T350 PolarHBondContact O-N 2.78Å; H347-T350 VanDerWaalsContact O-N 3.15Å; H347-T350 PolarHBondContact O-OG1 2.93Å; H347-I351 HydrophobicContact CB-CD1 4.39Å; H347-I351 VanDerWaalsContact O-CG1 3.3Å; H347-I351 WeakPolarHBondContact O-CG1 3.38Å; H347-I351 PolarHBondContact O-N 3.08Å |
| 348 | R | 94.8 | Very high | 92.7 | Very high | 54 Ų | 54 | 63.3 Ų | 63.3 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.5 | -39 | -177.3 | -176 | 177.7 | 74.2 | 100 | -8.2 | 113.9 | Q345 I351 L352 S381 M382 | Q345-R348 WeakPolarHBondContact O-CB 3.35Å; Q345-R348 PolarHBondContact O-N 3.38Å; R348-I351 PolarHBondContact O-N 3.36Å; R348-L352 HydrophobicContact CG-CD1 4.23Å; R348-L352 WeakPolarHBondContact O-CD1 3.28Å; R348-L352 VanDerWaalsContact O-CG 3.3Å; R348-L352 WeakPolarHBondContact O-CG 3.16Å; R348-L352 PolarHBondContact O-N 3.3Å; R348-S381 PolarHBondContact NH1-OG 3.33Å; R348-S381 PolarHBondContact NH2-OG 3.15Å; R348-M382 VanDerWaalsContact CD-SD 3.52Å; R348-M382 HydrophobicContact CG-CE 4.2Å; R348-M382 HydrophobicContact CG-SD 3.66Å; R348-M382 PolarHBondContact NH1-SD 2.87Å |
| 349 | L | 93.8 | Very high | 93 | Very high | 121 Ų | 121 | 56.3 Ų | 56.3 | 63% | 0.634 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 177.8 | -66.3 | 176.4 | 0 | 0 | 0 | 111.8 | H347 I351 L352 D353 | H347-L349 VanDerWaalsContact C-N 3.3Å; H347-L349 PolarHBondContact O-N 3.23Å; L349-I351 VanDerWaalsContact C-N 3.3Å; L349-I351 PolarHBondContact O-N 3.4Å; L349-L352 WeakPolarHBondContact O-CB 3.44Å; L349-L352 PolarHBondContact O-N 3.13Å; L349-D353 PolarHBondContact O-N 3.38Å |
| 350 | T | 94.9 | Very high | 93.3 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.3 | -29.5 | 178.4 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | L319 H347 D353 C354 | L319-T350 HydrophobicContact CD2-CG2 3.77Å; L319-T350 HydrophobicContact CG-CG2 4.46Å; H347-T350 PolarHBondContact O-N 2.78Å; H347-T350 VanDerWaalsContact O-N 3.15Å; H347-T350 PolarHBondContact O-OG1 2.93Å; T350-D353 PolarHBondContact O-N 3.17Å; T350-C354 PolarHBondContact O-N 2.85Å; T350-C354 PolarHBondContact O-SG 2.92Å; T350-C354 VanDerWaalsContact O-SG 3.33Å |
| 351 | I | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 171.1 | -63.7 | 162.4 | 0 | 0 | 0 | 111.2 | L318 L330 L333 V344 H347 R348 L349 D353 C354 L369 L373 | L318-I351 HydrophobicContact CD1-CD1 4.39Å; L318-I351 HydrophobicContact CD1-CG1 3.42Å; L318-I351 VanDerWaalsContact CD1-CG1 3.42Å; L330-I351 HydrophobicContact CD2-CG2 4.34Å; L333-I351 HydrophobicContact CD1-CD1 4.39Å; V344-I351 HydrophobicContact CG1-CD1 4.05Å; H347-I351 HydrophobicContact CB-CD1 4.39Å; H347-I351 VanDerWaalsContact O-CG1 3.3Å; H347-I351 WeakPolarHBondContact O-CG1 3.38Å; H347-I351 PolarHBondContact O-N 3.08Å; R348-I351 PolarHBondContact O-N 3.36Å; L349-I351 VanDerWaalsContact C-N 3.3Å; L349-I351 PolarHBondContact O-N 3.4Å; I351-D353 VanDerWaalsContact C-N 3.32Å; I351-D353 PolarHBondContact O-N 3.02Å; I351-C354 WeakPolarHBondContact O-CB 3.28Å; I351-C354 PolarHBondContact O-N 3.28Å; I351-L369 HydrophobicContact CD1-CD2 3.7Å; I351-L369 HydrophobicContact CD1-CG 4.17Å; I351-L369 HydrophobicContact CG1-CD2 3.99Å; I351-L369 HydrophobicContact CG2-CB 4.24Å; I351-L369 HydrophobicContact CG2-CD2 3.83Å; I351-L369 HydrophobicContact CG2-CG 3.95Å; I351-L373 HydrophobicContact CD1-CD1 3.59Å |
| 352 | L | 95.1 | Very high | 94 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 174.8 | -74.4 | 162.5 | 0 | 0 | 0 | 112 | R348 L349 C354 L355 M382 E385 | R348-L352 HydrophobicContact CG-CD1 4.23Å; R348-L352 WeakPolarHBondContact O-CD1 3.28Å; R348-L352 VanDerWaalsContact O-CG 3.3Å; R348-L352 WeakPolarHBondContact O-CG 3.16Å; R348-L352 PolarHBondContact O-N 3.3Å; L349-L352 WeakPolarHBondContact O-CB 3.44Å; L349-L352 PolarHBondContact O-N 3.13Å; L352-C354 VanDerWaalsContact C-N 3.29Å; L352-C354 PolarHBondContact O-N 3.32Å; L352-L355 HydrophobicContact CD2-CD1 3.92Å; L352-L355 VanDerWaalsContact O-CB 3.24Å; L352-L355 WeakPolarHBondContact O-CB 3.39Å; L352-L355 WeakPolarHBondContact O-CG 3.17Å; L352-L355 PolarHBondContact O-N 3.01Å; L352-L355 VanDerWaalsContact O-N 3.14Å; L352-M382 HydrophobicContact CD1-SD 4.08Å; L352-M382 HydrophobicContact CD2-SD 4.39Å; L352-E385 HydrophobicContact CD1-CB 4.39Å; L352-E385 HydrophobicContact CD1-CG 4.21Å; L352-E385 HydrophobicContact CD2-CB 3.92Å |
| 353 | D | 94 | Very high | 94.2 | Very high | 87 Ų | 87 | 48.3 Ų | 48.3 | 47% | 0.465 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68 | -26.3 | 173.8 | -74.6 | -37.4 | 0 | 0 | 0 | 113 | L349 T350 I351 L355 K356 | L349-D353 PolarHBondContact O-N 3.38Å; T350-D353 PolarHBondContact O-N 3.17Å; I351-D353 VanDerWaalsContact C-N 3.32Å; I351-D353 PolarHBondContact O-N 3.02Å; D353-L355 PolarHBondContact O-N 3.16Å; D353-K356 WeakPolarHBondContact O-CB 3.43Å; D353-K356 PolarHBondContact O-N 3.26Å; D353-K356 IonicContact OD1-NZ 3.48Å; D353-K356 PolarHBondContact OD1-NZ 3.36Å |
| 354 | C | 95.3 | Very high | 94.4 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -65.6 | -16 | 170.6 | -66.1 | 0 | 0 | 0 | 0 | 113.8 | L330 T350 I351 L352 K356 D357 I362 A366 | L330-C354 HydrophobicContact CD1-CB 4.18Å; T350-C354 PolarHBondContact O-N 2.85Å; T350-C354 PolarHBondContact O-SG 2.92Å; T350-C354 VanDerWaalsContact O-SG 3.33Å; I351-C354 WeakPolarHBondContact O-CB 3.28Å; I351-C354 PolarHBondContact O-N 3.28Å; L352-C354 VanDerWaalsContact C-N 3.29Å; L352-C354 PolarHBondContact O-N 3.32Å; C354-K356 PolarHBondContact O-N 2.79Å; C354-D357 WeakPolarHBondContact O-CB 3.49Å; C354-D357 PolarHBondContact O-N 3.17Å; C354-I362 HydrophobicContact CB-CG2 4.09Å; C354-A366 HydrophobicContact CB-CB 3.82Å |
| 355 | L | 94.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -65.6 | -20.9 | 169 | -60.2 | 171.7 | 0 | 0 | 0 | 112.1 | L352 D353 A366 I367 L386 Y389 | L352-L355 HydrophobicContact CD2-CD1 3.92Å; L352-L355 VanDerWaalsContact O-CB 3.24Å; L352-L355 WeakPolarHBondContact O-CB 3.39Å; L352-L355 WeakPolarHBondContact O-CG 3.17Å; L352-L355 PolarHBondContact O-N 3.01Å; L352-L355 VanDerWaalsContact O-N 3.14Å; D353-L355 PolarHBondContact O-N 3.16Å; L355-A366 HydrophobicContact CD2-CB 3.72Å; L355-A366 HydrophobicContact CG-CB 4.22Å; L355-I367 HydrophobicContact CD2-CB 4.38Å; L355-I367 HydrophobicContact CD2-CG1 3.54Å; L355-L386 HydrophobicContact CD1-CD2 4.02Å; L355-Y389 HydrophobicContact CB-CD2 3.9Å; L355-Y389 HydrophobicContact CB-CE2 4.03Å; L355-Y389 HydrophobicContact CB-CG 4.2Å; L355-Y389 HydrophobicContact CD1-CD1 4.46Å; L355-Y389 HydrophobicContact CD1-CG 4.32Å; L355-Y389 HydrophobicContact CD2-CD1 4.48Å; L355-Y389 HydrophobicContact CD2-CE1 4.35Å; L355-Y389 WeakPolarHBondContact O-CE2 3.45Å |
| 356 | K | 92.9 | Very high | 94.7 | Very high | 142 Ų | 142 | 54.1 Ų | 54.1 | 62% | 0.617 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -97.4 | 4.8 | -179.9 | -53.1 | 163.5 | -167.8 | 157.6 | 0 | 112.3 | D353 C354 | D353-K356 WeakPolarHBondContact O-CB 3.43Å; D353-K356 PolarHBondContact O-N 3.26Å; D353-K356 IonicContact OD1-NZ 3.48Å; D353-K356 PolarHBondContact OD1-NZ 3.36Å; C354-K356 PolarHBondContact O-N 2.79Å |
| 357 | D | 93.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -69 | 139.8 | 178.4 | -162.1 | -69.7 | 0 | 0 | 0 | 109.8 | R326 C354 D359 I362 Q363 | R326-D357 IonicContact CZ-OD2 2.86Å; R326-D357 IonicContact NH1-OD2 2.84Å; R326-D357 PolarHBondContact NH1-OD2 3.04Å; C354-D357 WeakPolarHBondContact O-CB 3.49Å; C354-D357 PolarHBondContact O-N 3.17Å; D357-D359 PolarHBondContact O-N 3.27Å; D357-D359 VanDerWaalsContact O-N 3.15Å; D357-D359 PolarHBondContact OD1-N 3.46Å; D357-I362 HydrophobicContact CB-CB 4.24Å; D357-I362 HydrophobicContact CB-CG2 3.69Å; D357-Q363 WeakPolarHBondContact O-CG 3.49Å; D357-Q363 PolarHBondContact O-NE2 3.43Å |
| 358 | P | 91.8 | Very high | 94.8 | Very high | 108 Ų | 108 | 47.4 Ų | 47.4 | 70% | 0.701 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -64.8 | -10.9 | 177.4 | 26.5 | -37.4 | 0 | 0 | 0 | 114.7 | ||
| 359 | D | 94.1 | Very high | 94.8 | Very high | 46 Ų | 46 | 44.8 Ų | 44.8 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | trans | -89.8 | 116 | 178.4 | -164.1 | -64.4 | 0 | 0 | 0 | 113 | K323 D357 S361 I362 Q363 | K323-D359 HydrophobicContact CD-CB 3.94Å; K323-D359 WeakPolarHBondContact CD-OD2 3.28Å; D357-D359 PolarHBondContact O-N 3.27Å; D357-D359 VanDerWaalsContact O-N 3.15Å; D357-D359 PolarHBondContact OD1-N 3.46Å; D359-S361 PolarHBondContact O-N 3.09Å; D359-S361 VanDerWaalsContact O-N 3.16Å; D359-S361 WeakPolarHBondContact OD1-CA 3.3Å; D359-S361 WeakPolarHBondContact OD1-CB 3.3Å; D359-S361 PolarHBondContact OD1-N 3.39Å; D359-S361 PolarHBondContact OD1-OG 2.96Å; D359-S361 VanDerWaalsContact OD1-OG 3.09Å; D359-I362 HydrophobicContact CB-CB 4.05Å; D359-I362 HydrophobicContact CB-CD1 3.87Å; D359-I362 HydrophobicContact CB-CG1 3.88Å; D359-I362 WeakPolarHBondContact O-CB 3.24Å; D359-I362 PolarHBondContact O-N 3.02Å; D359-I362 PolarHBondContact OD1-N 3.03Å; D359-Q363 PolarHBondContact O-N 3.36Å | ||
| 360 | V | 92.6 | Very high | 94.9 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 41% | 0.406 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -53.2 | -34.2 | 177.4 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | R364 F397 | V360-R364 WeakPolarHBondContact O-CB 3.46Å; V360-R364 PolarHBondContact O-N 3.23Å; V360-F397 HydrophobicContact CB-CZ 4.47Å; V360-F397 HydrophobicContact CG1-CE2 4.03Å; V360-F397 HydrophobicContact CG1-CZ 3.59Å |
| 361 | S | 94.6 | Very high | 94.9 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 44% | 0.441 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -73.5 | -36.7 | 179.2 | -39.3 | 0 | 0 | 0 | 0 | 111.7 | D359 R365 | D359-S361 PolarHBondContact O-N 3.09Å; D359-S361 VanDerWaalsContact O-N 3.16Å; D359-S361 WeakPolarHBondContact OD1-CA 3.3Å; D359-S361 WeakPolarHBondContact OD1-CB 3.3Å; D359-S361 PolarHBondContact OD1-N 3.39Å; D359-S361 PolarHBondContact OD1-OG 2.96Å; D359-S361 VanDerWaalsContact OD1-OG 3.09Å; S361-R365 WeakPolarHBondContact O-CG 3.4Å; S361-R365 PolarHBondContact O-N 2.96Å |
| 362 | I | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.1 | -47.8 | 173.9 | -65.6 | -179 | 0 | 0 | 0 | 109.6 | K323 R326 Y327 L330 C354 D357 D359 R364 R365 A366 | K323-I362 HydrophobicContact CB-CD1 4.04Å; K323-I362 HydrophobicContact CG-CD1 4.28Å; R326-I362 HydrophobicContact CB-CD1 3.89Å; Y327-I362 HydrophobicContact CD2-CG1 4.47Å; L330-I362 HydrophobicContact CD1-CB 4.45Å; L330-I362 HydrophobicContact CD1-CG2 3.65Å; C354-I362 HydrophobicContact CB-CG2 4.09Å; D357-I362 HydrophobicContact CB-CB 4.24Å; D357-I362 HydrophobicContact CB-CG2 3.69Å; D359-I362 HydrophobicContact CB-CB 4.05Å; D359-I362 HydrophobicContact CB-CD1 3.87Å; D359-I362 HydrophobicContact CB-CG1 3.88Å; D359-I362 WeakPolarHBondContact O-CB 3.24Å; D359-I362 PolarHBondContact O-N 3.02Å; D359-I362 PolarHBondContact OD1-N 3.03Å; I362-R364 PolarHBondContact O-N 3.31Å; I362-R365 PolarHBondContact O-N 3.11Å; I362-A366 WeakPolarHBondContact O-CB 3.36Å; I362-A366 PolarHBondContact O-N 3.42Å |
| 363 | Q | 95.5 | Very high | 94.6 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.4 | -49.6 | 175.7 | -68.3 | -177.7 | 3.9 | 0 | 0 | 111.5 | D357 D359 R365 A366 I367 Y389 F397 | D357-Q363 WeakPolarHBondContact O-CG 3.49Å; D357-Q363 PolarHBondContact O-NE2 3.43Å; D359-Q363 PolarHBondContact O-N 3.36Å; Q363-R365 PolarHBondContact O-N 3.35Å; Q363-A366 PolarHBondContact O-N 2.98Å; Q363-A366 VanDerWaalsContact O-N 3.15Å; Q363-I367 WeakPolarHBondContact O-CG1 3.45Å; Q363-I367 PolarHBondContact O-N 3.24Å; Q363-Y389 PolarHBondContact OE1-OH 3.28Å; Q363-F397 HydrophobicContact CB-CE2 4.28Å; Q363-F397 HydrophobicContact CB-CZ 4.03Å |
| 364 | R | 95.5 | Very high | 94.7 | Very high | 88 Ų | 88 | 37.7 Ų | 37.7 | 33% | 0.332 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.4 | -46.6 | 178.9 | -169.9 | 165.4 | -70.7 | -74.4 | 0.7 | 112.3 | V360 I362 I367 D368 F397 D400 | V360-R364 WeakPolarHBondContact O-CB 3.46Å; V360-R364 PolarHBondContact O-N 3.23Å; I362-R364 PolarHBondContact O-N 3.31Å; R364-I367 PolarHBondContact O-N 2.99Å; R364-D368 PolarHBondContact O-N 3.47Å; R364-D368 VanDerWaalsContact O-N 3.14Å; R364-F397 HydrophobicContact CB-CE1 3.9Å; R364-F397 HydrophobicContact CB-CZ 4.43Å; R364-F397 HydrophobicContact CG-CE1 4.36Å; R364-D400 IonicContact CZ-OD2 2.74Å; R364-D400 IonicContact NH1-OD2 2.78Å; R364-D400 PolarHBondContact NH1-OD2 3.4Å; R364-D400 IonicContact NH2-OD2 3.19Å |
| 365 | R | 95.9 | Very high | 94.5 | Very high | 76 Ų | 76 | 39.4 Ų | 39.4 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.7 | -30.2 | 178 | -66.7 | -58.2 | -178.7 | -152.8 | 0.8 | 113.7 | Y327 L330 S361 I362 Q363 D368 L369 | Y327-R365 HydrophobicContact CD2-CG 4.19Å; Y327-R365 HydrophobicContact CE2-CG 3.59Å; L330-R365 HydrophobicContact CB-CB 3.91Å; L330-R365 HydrophobicContact CD1-CB 4.15Å; S361-R365 WeakPolarHBondContact O-CG 3.4Å; S361-R365 PolarHBondContact O-N 2.96Å; I362-R365 PolarHBondContact O-N 3.11Å; Q363-R365 PolarHBondContact O-N 3.35Å; R365-D368 IonicContact CZ-OD2 2.7Å; R365-D368 IonicContact NH1-OD2 2.64Å; R365-D368 PolarHBondContact NH1-OD2 3.2Å; R365-L369 WeakPolarHBondContact O-CB 3.38Å; R365-L369 PolarHBondContact O-N 3.01Å; R365-L369 VanDerWaalsContact O-N 3.14Å |
| 366 | A | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.8 | -40.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L330 C354 L355 I362 Q363 L369 C370 | L330-A366 HydrophobicContact CD1-CB 4.22Å; C354-A366 HydrophobicContact CB-CB 3.82Å; L355-A366 HydrophobicContact CD2-CB 3.72Å; L355-A366 HydrophobicContact CG-CB 4.22Å; I362-A366 WeakPolarHBondContact O-CB 3.36Å; I362-A366 PolarHBondContact O-N 3.42Å; Q363-A366 PolarHBondContact O-N 2.98Å; Q363-A366 VanDerWaalsContact O-N 3.15Å; A366-L369 PolarHBondContact O-N 2.94Å; A366-C370 VanDerWaalsContact O-CB 3.32Å; A366-C370 WeakPolarHBondContact O-CB 3.36Å; A366-C370 PolarHBondContact O-N 3.14Å; A366-C370 PolarHBondContact O-SG 3.27Å |
| 367 | I | 95.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -51.3 | 174.3 | -63.9 | 162 | 0 | 0 | 0 | 110.8 | L355 Q363 R364 L369 C370 F371 Y389 F397 V401 | L355-I367 HydrophobicContact CD2-CB 4.38Å; L355-I367 HydrophobicContact CD2-CG1 3.54Å; Q363-I367 WeakPolarHBondContact O-CG1 3.45Å; Q363-I367 PolarHBondContact O-N 3.24Å; R364-I367 PolarHBondContact O-N 2.99Å; I367-L369 VanDerWaalsContact C-N 3.27Å; I367-L369 PolarHBondContact O-N 3.23Å; I367-C370 PolarHBondContact O-N 3.27Å; I367-F371 PolarHBondContact O-N 3.34Å; I367-Y389 HydrophobicContact CD1-CE1 3.85Å; I367-Y389 HydrophobicContact CG1-CE1 4.03Å; I367-F397 HydrophobicContact CD1-CB 4.18Å; I367-F397 HydrophobicContact CD1-CD1 3.48Å; I367-F397 VanDerWaalsContact CD1-CD1 3.48Å; I367-F397 HydrophobicContact CD1-CE1 4.01Å; I367-F397 HydrophobicContact CD1-CG 3.96Å; I367-V401 HydrophobicContact CD1-CG2 4.03Å; I367-V401 HydrophobicContact CG1-CG2 4.29Å; I367-V401 HydrophobicContact CG2-CG2 4.23Å |
| 368 | D | 95.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 45 Ų | 45 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -51.5 | -47.4 | 176.9 | -66.9 | -21.1 | 0 | 0 | 0 | 111.1 | L334 R364 R365 A372 | L334-D368 HydrophobicContact CD1-CB 4.21Å; L334-D368 HydrophobicContact CD2-CB 3.8Å; R364-D368 PolarHBondContact O-N 3.47Å; R364-D368 VanDerWaalsContact O-N 3.14Å; R365-D368 IonicContact CZ-OD2 2.7Å; R365-D368 IonicContact NH1-OD2 2.64Å; R365-D368 PolarHBondContact NH1-OD2 3.2Å; D368-A372 WeakPolarHBondContact O-CB 3.36Å; D368-A372 PolarHBondContact O-N 3.14Å |
| 369 | L | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.8 | -37.7 | -177.1 | -175.2 | 56.7 | 0 | 0 | 0 | 112.8 | L330 L333 L334 V337 I351 R365 A366 I367 F371 A372 L373 | L330-L369 HydrophobicContact CD2-CD2 3.81Å; L333-L369 HydrophobicContact CB-CD1 4.38Å; L333-L369 HydrophobicContact CB-CD2 3.67Å; L333-L369 HydrophobicContact CD1-CD2 4.17Å; L334-L369 HydrophobicContact CB-CD1 4.43Å; L334-L369 HydrophobicContact CD1-CB 4.48Å; L334-L369 HydrophobicContact CD1-CD1 4.35Å; V337-L369 HydrophobicContact CB-CD1 4.34Å; V337-L369 HydrophobicContact CG2-CD1 4.33Å; I351-L369 HydrophobicContact CD1-CD2 3.7Å; I351-L369 HydrophobicContact CD1-CG 4.17Å; I351-L369 HydrophobicContact CG1-CD2 3.99Å; I351-L369 HydrophobicContact CG2-CB 4.24Å; I351-L369 HydrophobicContact CG2-CD2 3.83Å; I351-L369 HydrophobicContact CG2-CG 3.95Å; R365-L369 WeakPolarHBondContact O-CB 3.38Å; R365-L369 PolarHBondContact O-N 3.01Å; R365-L369 VanDerWaalsContact O-N 3.14Å; A366-L369 PolarHBondContact O-N 2.94Å; I367-L369 VanDerWaalsContact C-N 3.27Å; I367-L369 PolarHBondContact O-N 3.23Å; L369-F371 VanDerWaalsContact C-N 3.33Å; L369-F371 PolarHBondContact O-N 2.92Å; L369-A372 PolarHBondContact O-N 3.16Å; L369-L373 HydrophobicContact CD1-CD1 4.15Å; L369-L373 HydrophobicContact CD1-CG 4.2Å; L369-L373 HydrophobicContact CG-CD1 4Å; L369-L373 HydrophobicContact CG-CG 4.48Å; L369-L373 WeakPolarHBondContact O-CB 3.32Å; L369-L373 VanDerWaalsContact O-CG 3.23Å; L369-L373 WeakPolarHBondContact O-CG 3.06Å; L369-L373 PolarHBondContact O-N 3.49Å |
| 370 | C | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 173.2 | -78.3 | 0 | 0 | 0 | 0 | 111.6 | A366 I367 L373 T374 M382 L386 | A366-C370 VanDerWaalsContact O-CB 3.32Å; A366-C370 WeakPolarHBondContact O-CB 3.36Å; A366-C370 PolarHBondContact O-N 3.14Å; A366-C370 PolarHBondContact O-SG 3.27Å; I367-C370 PolarHBondContact O-N 3.27Å; C370-L373 PolarHBondContact O-N 2.89Å; C370-T374 PolarHBondContact O-N 2.92Å; C370-T374 PolarHBondContact O-OG1 2.81Å; C370-M382 HydrophobicContact CB-CE 4.06Å; C370-M382 WeakPolarHBondContact O-CE 3.25Å; C370-L386 HydrophobicContact CB-CD2 4.3Å |
| 371 | F | 94.2 | Very high | 94.4 | Very high | 67 Ų | 67 | 39.6 Ų | 39.6 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.6 | -48.6 | 174.7 | -178.7 | -112 | 0 | 0 | 0 | 111.3 | I367 L369 L373 T374 N404 I407 A408 | I367-F371 PolarHBondContact O-N 3.34Å; L369-F371 VanDerWaalsContact C-N 3.33Å; L369-F371 PolarHBondContact O-N 2.92Å; F371-L373 PolarHBondContact O-N 3.3Å; F371-T374 WeakPolarHBondContact O-CB 3.32Å; F371-T374 PolarHBondContact O-N 3.09Å; F371-N404 HydrophobicContact CB-CB 4.37Å; F371-N404 HydrophobicContact CD2-CB 3.67Å; F371-N404 HydrophobicContact CE2-CB 4.21Å; F371-N404 WeakPolarHBondContact CE2-O 3.22Å; F371-N404 HydrophobicContact CG-CB 4.13Å; F371-I407 HydrophobicContact CE2-CB 4.24Å; F371-I407 HydrophobicContact CE2-CG2 4.21Å; F371-I407 HydrophobicContact CZ-CB 4.24Å; F371-I407 HydrophobicContact CZ-CG2 3.85Å; F371-A408 HydrophobicContact CE2-CB 4.25Å |
| 372 | A | 93.6 | Very high | 94.4 | Very high | 26 Ų | 26 | 36.6 Ų | 36.6 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -25.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L334 V337 D368 L369 | L334-A372 HydrophobicContact CD1-CB 4.14Å; V337-A372 HydrophobicContact CG1-CB 4.19Å; D368-A372 WeakPolarHBondContact O-CB 3.36Å; D368-A372 PolarHBondContact O-N 3.14Å; L369-A372 PolarHBondContact O-N 3.16Å |
| 373 | L | 93.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -7.8 | 174.6 | -72.2 | 171.2 | 0 | 0 | 0 | 114.2 | V337 V344 Q345 I351 L369 C370 F371 N378 M382 | V337-L373 HydrophobicContact CG2-CD2 3.59Å; V337-L373 HydrophobicContact CG2-CG 4.19Å; V344-L373 HydrophobicContact CB-CD2 4.05Å; V344-L373 HydrophobicContact CG1-CD1 4.07Å; V344-L373 HydrophobicContact CG1-CD2 3.73Å; V344-L373 HydrophobicContact CG1-CG 4.42Å; Q345-L373 HydrophobicContact CG-CD2 4.32Å; Q345-L373 PolarHBondContact NE2-O 3.14Å; I351-L373 HydrophobicContact CD1-CD1 3.59Å; L369-L373 HydrophobicContact CD1-CD1 4.15Å; L369-L373 HydrophobicContact CD1-CG 4.2Å; L369-L373 HydrophobicContact CG-CD1 4Å; L369-L373 HydrophobicContact CG-CG 4.48Å; L369-L373 WeakPolarHBondContact O-CB 3.32Å; L369-L373 VanDerWaalsContact O-CG 3.23Å; L369-L373 WeakPolarHBondContact O-CG 3.06Å; L369-L373 PolarHBondContact O-N 3.49Å; C370-L373 PolarHBondContact O-N 2.89Å; F371-L373 PolarHBondContact O-N 3.3Å; L373-N378 PolarHBondContact O-ND2 3.35Å; L373-M382 HydrophobicContact CB-CE 4.17Å |
| 374 | T | 94.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | trans | -79.3 | 133 | -176.6 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | C370 F371 N378 V379 M382 A408 Y412 | C370-T374 PolarHBondContact O-N 2.92Å; C370-T374 PolarHBondContact O-OG1 2.81Å; F371-T374 WeakPolarHBondContact O-CB 3.32Å; F371-T374 PolarHBondContact O-N 3.09Å; T374-N378 WeakPolarHBondContact CA-OD1 3.25Å; T374-V379 HydrophobicContact CG2-CB 4.11Å; T374-V379 HydrophobicContact CG2-CG2 3.96Å; T374-M382 HydrophobicContact CG2-CB 4.25Å; T374-A408 HydrophobicContact CG2-CB 3.98Å; T374-Y412 HydrophobicContact CG2-CD2 4.04Å; T374-Y412 HydrophobicContact CG2-CE2 4.47Å; T374-Y412 WeakPolarHBondContact O-CE2 2.97Å | ||
| 375 | N | 92.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 23% | 0.225 | 22% | 0.216 | C | C | . | . | trans | -152.2 | 173.3 | -178 | 65.6 | 50.6 | 0 | 0 | 0 | 111.4 | Q345 T377 N378 V379 | Q345-N375 PolarHBondContact NE2-ND2 2.83Å; N375-T377 PolarHBondContact O-N 2.88Å; N375-T377 PolarHBondContact OD1-N 3.09Å; N375-T377 PolarHBondContact OD1-OG1 3.27Å; N375-N378 PolarHBondContact N-OD1 2.92Å; N375-N378 PolarHBondContact ND2-ND2 3.41Å; N375-N378 PolarHBondContact O-N 3.44Å; N375-N378 VanDerWaalsContact O-N 3.16Å; N375-N378 PolarHBondContact O-OD1 2.87Å; N375-N378 PolarHBondContact OD1-N 2.77Å; N375-V379 WeakPolarHBondContact O-CB 3.33Å; N375-V379 PolarHBondContact O-N 2.97Å | ||
| 376 | H | 92.9 | Very high | 94.1 | Very high | 128 Ų | 128 | 38 Ų | 38 | 59% | 0.593 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -27 | -178.1 | -59.4 | -79.7 | 0 | 0 | 0 | 115.5 | K411 Y412 | H376-K411 PolarHBondContact CE1-O 2.98Å; H376-K411 VanDerWaalsContact CE1-O 3.31Å; H376-Y412 AromaticContact CD2-CD1 3.72Å; H376-Y412 AromaticContact CE1-CD1 3.61Å; H376-Y412 AromaticContact CG-CD1 3.82Å; H376-Y412 AromaticContact ND1-CD1 3.76Å; H376-Y412 AromaticContact NE2-CD1 3.56Å; H376-Y412 AromaticContact NE2-CE1 3.9Å |
| 377 | T | 90.9 | Very high | 94.1 | Very high | 136 Ų | 136 | 38.8 Ų | 38.8 | 83% | 0.834 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -23 | -177.3 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | N375 | N375-T377 PolarHBondContact O-N 2.88Å; N375-T377 PolarHBondContact OD1-N 3.09Å; N375-T377 PolarHBondContact OD1-OG1 3.27Å |
| 378 | N | 91.5 | Very high | 94 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -11.5 | -175.2 | 71.7 | 15.5 | 0 | 0 | 0 | 114.4 | Q345 L373 T374 N375 C380 S381 M382 | Q345-N378 PolarHBondContact OE1-ND2 3.3Å; L373-N378 PolarHBondContact O-ND2 3.35Å; T374-N378 WeakPolarHBondContact CA-OD1 3.25Å; N375-N378 PolarHBondContact N-OD1 2.92Å; N375-N378 PolarHBondContact ND2-ND2 3.41Å; N375-N378 PolarHBondContact O-N 3.44Å; N375-N378 VanDerWaalsContact O-N 3.16Å; N375-N378 PolarHBondContact O-OD1 2.87Å; N375-N378 PolarHBondContact OD1-N 2.77Å; N378-C380 VanDerWaalsContact C-N 3.3Å; N378-C380 PolarHBondContact O-N 3.19Å; N378-C380 VanDerWaalsContact O-N 3.15Å; N378-S381 PolarHBondContact O-N 3.2Å; N378-S381 PolarHBondContact O-OG 3.2Å; N378-M382 HydrophobicContact CB-CG 4.24Å; N378-M382 PolarHBondContact O-N 2.82Å |
| 379 | V | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -48.7 | -44.5 | -173.3 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | T374 N375 S381 M382 A383 Y412 W418 | T374-V379 HydrophobicContact CG2-CB 4.11Å; T374-V379 HydrophobicContact CG2-CG2 3.96Å; N375-V379 WeakPolarHBondContact O-CB 3.33Å; N375-V379 PolarHBondContact O-N 2.97Å; V379-S381 VanDerWaalsContact C-N 3.26Å; V379-S381 PolarHBondContact O-N 2.83Å; V379-M382 PolarHBondContact O-N 3.1Å; V379-A383 VanDerWaalsContact O-CB 3.26Å; V379-A383 WeakPolarHBondContact O-CB 3.21Å; V379-A383 PolarHBondContact O-N 3.41Å; V379-Y412 WeakPolarHBondContact CG1-O 3.41Å; V379-W418 HydrophobicContact CG1-CH2 4.44Å; V379-W418 HydrophobicContact CG2-CH2 3.65Å; V379-W418 HydrophobicContact CG2-CZ2 4.31Å; V379-W418 HydrophobicContact CG2-CZ3 4.32Å |
| 380 | C | 95.2 | Very high | 93.8 | Very high | 62 Ų | 62 | 40.7 Ų | 40.7 | 42% | 0.419 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.9 | -38.4 | -179.1 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | N378 K384 | N378-C380 VanDerWaalsContact C-N 3.3Å; N378-C380 PolarHBondContact O-N 3.19Å; N378-C380 VanDerWaalsContact O-N 3.15Å; C380-K384 WeakPolarHBondContact O-CB 3.36Å; C380-K384 PolarHBondContact O-N 3.08Å |
| 381 | S | 93.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -80.8 | -38.6 | 177.3 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | R348 N378 V379 K384 E385 | R348-S381 PolarHBondContact NH1-OG 3.33Å; R348-S381 PolarHBondContact NH2-OG 3.15Å; N378-S381 PolarHBondContact O-N 3.2Å; N378-S381 PolarHBondContact O-OG 3.2Å; V379-S381 VanDerWaalsContact C-N 3.26Å; V379-S381 PolarHBondContact O-N 2.83Å; S381-K384 PolarHBondContact O-N 3.16Å; S381-E385 WeakPolarHBondContact O-CG 3.47Å; S381-E385 PolarHBondContact O-N 2.81Å; S381-E385 VanDerWaalsContact O-N 3.16Å |
| 382 | M | 93.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 178.5 | -65.7 | -64.1 | -83.7 | 0 | 0 | 111.3 | R348 L352 C370 L373 T374 N378 V379 K384 E385 L386 | R348-M382 VanDerWaalsContact CD-SD 3.52Å; R348-M382 HydrophobicContact CG-CE 4.2Å; R348-M382 HydrophobicContact CG-SD 3.66Å; R348-M382 PolarHBondContact NH1-SD 2.87Å; L352-M382 HydrophobicContact CD1-SD 4.08Å; L352-M382 HydrophobicContact CD2-SD 4.39Å; C370-M382 HydrophobicContact CB-CE 4.06Å; C370-M382 WeakPolarHBondContact O-CE 3.25Å; L373-M382 HydrophobicContact CB-CE 4.17Å; T374-M382 HydrophobicContact CG2-CB 4.25Å; N378-M382 HydrophobicContact CB-CG 4.24Å; N378-M382 PolarHBondContact O-N 2.82Å; V379-M382 PolarHBondContact O-N 3.1Å; M382-K384 VanDerWaalsContact C-N 3.31Å; M382-K384 PolarHBondContact O-N 3.27Å; M382-E385 PolarHBondContact O-N 3.08Å; M382-L386 WeakPolarHBondContact O-CB 3.38Å; M382-L386 VanDerWaalsContact O-CG 3.27Å; M382-L386 WeakPolarHBondContact O-CG 3.3Å; M382-L386 PolarHBondContact O-N 2.85Å |
| 383 | A | 94.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V379 L386 L387 W418 T422 | V379-A383 VanDerWaalsContact O-CB 3.26Å; V379-A383 WeakPolarHBondContact O-CB 3.21Å; V379-A383 PolarHBondContact O-N 3.41Å; A383-L386 PolarHBondContact O-N 3.33Å; A383-L387 VanDerWaalsContact O-CB 3.27Å; A383-L387 WeakPolarHBondContact O-CB 3.23Å; A383-L387 WeakPolarHBondContact O-CG 3.35Å; A383-L387 PolarHBondContact O-N 2.8Å; A383-W418 HydrophobicContact CB-CH2 4.07Å; A383-W418 HydrophobicContact CB-CZ2 3.89Å; A383-T422 HydrophobicContact CB-CG2 4.3Å |
| 384 | K | 94.8 | Very high | 93.2 | Very high | 131 Ų | 131 | 50.7 Ų | 50.7 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.1 | -49.7 | 175.8 | -176.3 | -178.2 | 176.9 | -175 | 0 | 112 | C380 S381 M382 L387 L388 | C380-K384 WeakPolarHBondContact O-CB 3.36Å; C380-K384 PolarHBondContact O-N 3.08Å; S381-K384 PolarHBondContact O-N 3.16Å; M382-K384 VanDerWaalsContact C-N 3.31Å; M382-K384 PolarHBondContact O-N 3.27Å; K384-L387 PolarHBondContact O-N 3.36Å; K384-L388 WeakPolarHBondContact O-CG 3.21Å; K384-L388 PolarHBondContact O-N 2.84Å |
| 385 | E | 93.6 | Very high | 93 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 33% | 0.327 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 179.4 | -63.2 | -59.3 | 142.5 | 0 | 0 | 111.8 | L352 S381 M382 L388 Y389 | L352-E385 HydrophobicContact CD1-CB 4.39Å; L352-E385 HydrophobicContact CD1-CG 4.21Å; L352-E385 HydrophobicContact CD2-CB 3.92Å; S381-E385 WeakPolarHBondContact O-CG 3.47Å; S381-E385 PolarHBondContact O-N 2.81Å; S381-E385 VanDerWaalsContact O-N 3.16Å; M382-E385 PolarHBondContact O-N 3.08Å; E385-L388 PolarHBondContact O-N 3.23Å; E385-Y389 PolarHBondContact O-N 2.9Å |
| 386 | L | 95.4 | Very high | 92.9 | Very high | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 174.6 | -69 | 172.2 | 0 | 0 | 0 | 112.5 | L355 C370 M382 A383 L388 Y389 L390 I405 | L355-L386 HydrophobicContact CD1-CD2 4.02Å; C370-L386 HydrophobicContact CB-CD2 4.3Å; M382-L386 WeakPolarHBondContact O-CB 3.38Å; M382-L386 VanDerWaalsContact O-CG 3.27Å; M382-L386 WeakPolarHBondContact O-CG 3.3Å; M382-L386 PolarHBondContact O-N 2.85Å; A383-L386 PolarHBondContact O-N 3.33Å; L386-L388 VanDerWaalsContact C-N 3.33Å; L386-Y389 PolarHBondContact O-N 3.37Å; L386-L390 VanDerWaalsContact O-CB 3.3Å; L386-L390 WeakPolarHBondContact O-CB 3.13Å; L386-L390 PolarHBondContact O-N 3.39Å; L386-I405 HydrophobicContact CB-CD1 3.88Å; L386-I405 HydrophobicContact CB-CG1 3.92Å; L386-I405 HydrophobicContact CD1-CG1 4.28Å |
| 387 | L | 95.1 | Very high | 92.8 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.7 | -27.1 | 173.4 | -77 | 169.8 | 0 | 0 | 0 | 113.2 | A383 K384 L390 Q391 I405 T422 K425 L426 | A383-L387 VanDerWaalsContact O-CB 3.27Å; A383-L387 WeakPolarHBondContact O-CB 3.23Å; A383-L387 WeakPolarHBondContact O-CG 3.35Å; A383-L387 PolarHBondContact O-N 2.8Å; K384-L387 PolarHBondContact O-N 3.36Å; L387-L390 HydrophobicContact CD2-CD2 4.18Å; L387-Q391 PolarHBondContact O-NE2 3.16Å; L387-I405 HydrophobicContact CD2-CD1 3.96Å; L387-I405 HydrophobicContact CG-CD1 4.09Å; L387-T422 HydrophobicContact CD1-CG2 4.32Å; L387-K425 HydrophobicContact CD1-CB 4.27Å; L387-K425 HydrophobicContact CD1-CG 4.01Å; L387-K425 HydrophobicContact CD2-CG 4.41Å; L387-L426 HydrophobicContact CD2-CB 4.16Å |
| 388 | L | 93.7 | Very high | 92.9 | Very high | 81 Ų | 81 | 49 Ų | 49 | 42% | 0.424 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.9 | -46.8 | 169.9 | -70.7 | 171.3 | 0 | 0 | 0 | 110.4 | K384 E385 L386 L390 Q391 | K384-L388 WeakPolarHBondContact O-CG 3.21Å; K384-L388 PolarHBondContact O-N 2.84Å; E385-L388 PolarHBondContact O-N 3.23Å; L386-L388 VanDerWaalsContact C-N 3.33Å; L388-L390 VanDerWaalsContact C-N 3.3Å; L388-L390 PolarHBondContact O-N 2.77Å; L388-Q391 WeakPolarHBondContact O-CB 3.45Å; L388-Q391 PolarHBondContact O-N 2.8Å; L388-Q391 VanDerWaalsContact O-N 3.15Å |
| 389 | Y | 94.2 | Very high | 93 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 7% | 0.071 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.7 | -40.3 | 175.5 | 176.7 | -115.5 | 0 | 0 | 0 | 112.5 | L355 Q363 I367 E385 L386 Q391 S392 C393 V401 | L355-Y389 HydrophobicContact CB-CD2 3.9Å; L355-Y389 HydrophobicContact CB-CE2 4.03Å; L355-Y389 HydrophobicContact CB-CG 4.2Å; L355-Y389 HydrophobicContact CD1-CD1 4.46Å; L355-Y389 HydrophobicContact CD1-CG 4.32Å; L355-Y389 HydrophobicContact CD2-CD1 4.48Å; L355-Y389 HydrophobicContact CD2-CE1 4.35Å; L355-Y389 WeakPolarHBondContact O-CE2 3.45Å; Q363-Y389 PolarHBondContact OE1-OH 3.28Å; I367-Y389 HydrophobicContact CD1-CE1 3.85Å; I367-Y389 HydrophobicContact CG1-CE1 4.03Å; E385-Y389 PolarHBondContact O-N 2.9Å; L386-Y389 PolarHBondContact O-N 3.37Å; Y389-Q391 PolarHBondContact O-N 3.06Å; Y389-Q391 VanDerWaalsContact O-N 3.13Å; Y389-S392 PolarHBondContact O-N 3.32Å; Y389-S392 PolarHBondContact O-OG 3.28Å; Y389-S392 VanDerWaalsContact O-OG 3.09Å; Y389-C393 HydrophobicContact CD1-CB 4.16Å; Y389-C393 HydrophobicContact CD2-CB 4.14Å; Y389-C393 HydrophobicContact CE1-CB 3.69Å; Y389-C393 HydrophobicContact CE2-CB 3.65Å; Y389-C393 HydrophobicContact CG-CB 4.37Å; Y389-C393 VanDerWaalsContact CZ-CB 3.41Å; Y389-C393 WeakPolarHBondContact O-CB 3.47Å; Y389-C393 PolarHBondContact O-N 2.98Å; Y389-V401 HydrophobicContact CD1-CG2 4.06Å; Y389-V401 HydrophobicContact CE1-CG2 3.93Å |
| 390 | L | 93.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -24.8 | 177.6 | -174.4 | 65.3 | 0 | 0 | 0 | 114 | L386 L387 L388 K398 V401 I405 T429 A430 | L386-L390 VanDerWaalsContact O-CB 3.3Å; L386-L390 WeakPolarHBondContact O-CB 3.13Å; L386-L390 PolarHBondContact O-N 3.39Å; L387-L390 HydrophobicContact CD2-CD2 4.18Å; L388-L390 VanDerWaalsContact C-N 3.3Å; L388-L390 PolarHBondContact O-N 2.77Å; L390-K398 HydrophobicContact CD1-CB 4.12Å; L390-K398 HydrophobicContact CD1-CG 4.01Å; L390-V401 HydrophobicContact CB-CG1 4.11Å; L390-V401 HydrophobicContact CD1-CB 4.03Å; L390-V401 HydrophobicContact CD1-CG1 3.9Å; L390-V401 HydrophobicContact CG-CG1 4.46Å; L390-I405 HydrophobicContact CD2-CD1 4.29Å; L390-T429 HydrophobicContact CB-CG2 4.26Å; L390-T429 HydrophobicContact CD2-CG2 3.96Å; L390-T429 HydrophobicContact CG-CG2 3.9Å; L390-A430 HydrophobicContact CD1-CB 3.88Å; L390-A430 HydrophobicContact CD2-CB 3.99Å; L390-A430 HydrophobicContact CG-CB 3.87Å |
| 391 | Q | 91.4 | Very high | 92.9 | Very high | 108 Ų | 108 | 50 Ų | 50 | 51% | 0.505 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -76 | -33.1 | 175.8 | -67.9 | 163.7 | 45.5 | 0 | 0 | 112.2 | L387 L388 Y389 T429 | L387-Q391 PolarHBondContact O-NE2 3.16Å; L388-Q391 WeakPolarHBondContact O-CB 3.45Å; L388-Q391 PolarHBondContact O-N 2.8Å; L388-Q391 VanDerWaalsContact O-N 3.15Å; Y389-Q391 PolarHBondContact O-N 3.06Å; Y389-Q391 VanDerWaalsContact O-N 3.13Å; Q391-T429 HydrophobicContact CB-CG2 4.46Å; Q391-T429 HydrophobicContact CG-CG2 3.47Å; Q391-T429 VanDerWaalsContact CG-CG2 3.47Å |
| 392 | S | 88.9 | Confident | 93 | Very high | 95 Ų | 95 | 48 Ų | 48 | 66% | 0.664 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -103.1 | -15.7 | -174 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | Y389 | Y389-S392 PolarHBondContact O-N 3.32Å; Y389-S392 PolarHBondContact O-OG 3.28Å; Y389-S392 VanDerWaalsContact O-OG 3.09Å |
| 393 | C | 91.9 | Very high | 93 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -76.2 | 158.4 | -173.4 | 71.9 | 0 | 0 | 0 | 0 | 113.5 | Y389 F397 K398 | Y389-C393 HydrophobicContact CD1-CB 4.16Å; Y389-C393 HydrophobicContact CD2-CB 4.14Å; Y389-C393 HydrophobicContact CE1-CB 3.69Å; Y389-C393 HydrophobicContact CE2-CB 3.65Å; Y389-C393 HydrophobicContact CG-CB 4.37Å; Y389-C393 VanDerWaalsContact CZ-CB 3.41Å; Y389-C393 WeakPolarHBondContact O-CB 3.47Å; Y389-C393 PolarHBondContact O-N 2.98Å; C393-F397 HydrophobicContact CB-CB 4.39Å; C393-K398 WeakPolarHBondContact O-CE 3.42Å; C393-K398 PolarHBondContact O-NZ 2.83Å |
| 394 | D | 91.5 | Very high | 93 | Very high | 95 Ų | 95 | 50.3 Ų | 50.3 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | trans | -65.5 | 152.4 | 174.9 | -66.7 | -52.2 | 0 | 0 | 0 | 112 | E396 F397 | D394-E396 PolarHBondContact O-N 3.4Å; D394-E396 VanDerWaalsContact O-N 3.09Å; D394-F397 HydrophobicContact CB-CD2 4.26Å; D394-F397 PolarHBondContact O-N 3.5Å | ||
| 395 | N | 89.4 | Confident | 93 | Very high | 94 Ų | 94 | 44.1 Ų | 44.1 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.4 | -24.7 | -174.4 | -66.2 | -23 | 0 | 0 | 0 | 113.4 | F397 K398 Y433 | N395-F397 VanDerWaalsContact C-N 3.29Å; N395-F397 PolarHBondContact O-N 3.37Å; N395-K398 PolarHBondContact O-N 2.92Å; N395-K398 PolarHBondContact OD1-NZ 3.19Å; N395-Y433 HydrophobicContact CB-CE1 4.12Å; N395-Y433 PolarHBondContact OD1-OH 2.96Å |
| 396 | E | 90.2 | Very high | 93 | Very high | 144 Ų | 144 | 41.5 Ų | 41.5 | 67% | 0.673 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -64.6 | -30 | 174.9 | -60 | -172.2 | 178 | 0 | 0 | 113.2 | D394 | D394-E396 PolarHBondContact O-N 3.4Å; D394-E396 VanDerWaalsContact O-N 3.09Å |
| 397 | F | 91.8 | Very high | 93 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -92.2 | -17.1 | -178.8 | -66 | -63.6 | 0 | 0 | 0 | 113.7 | V360 Q363 R364 I367 C393 D394 N395 G399 D400 V401 | V360-F397 HydrophobicContact CB-CZ 4.47Å; V360-F397 HydrophobicContact CG1-CE2 4.03Å; V360-F397 HydrophobicContact CG1-CZ 3.59Å; Q363-F397 HydrophobicContact CB-CE2 4.28Å; Q363-F397 HydrophobicContact CB-CZ 4.03Å; R364-F397 HydrophobicContact CB-CE1 3.9Å; R364-F397 HydrophobicContact CB-CZ 4.43Å; R364-F397 HydrophobicContact CG-CE1 4.36Å; I367-F397 HydrophobicContact CD1-CB 4.18Å; I367-F397 HydrophobicContact CD1-CD1 3.48Å; I367-F397 VanDerWaalsContact CD1-CD1 3.48Å; I367-F397 HydrophobicContact CD1-CE1 4.01Å; I367-F397 HydrophobicContact CD1-CG 3.96Å; C393-F397 HydrophobicContact CB-CB 4.39Å; D394-F397 HydrophobicContact CB-CD2 4.26Å; D394-F397 PolarHBondContact O-N 3.5Å; N395-F397 VanDerWaalsContact C-N 3.29Å; N395-F397 PolarHBondContact O-N 3.37Å; F397-G399 VanDerWaalsContact C-N 3.34Å; F397-G399 PolarHBondContact O-N 3.15Å; F397-D400 PolarHBondContact O-N 3.37Å; F397-V401 WeakPolarHBondContact O-CB 3.33Å; F397-V401 WeakPolarHBondContact O-CG2 3.48Å; F397-V401 PolarHBondContact O-N 3.38Å |
| 398 | K | 93.6 | Very high | 92.9 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | -173.7 | -71.8 | -178.9 | -179.9 | 153.5 | 0 | 112.6 | L390 C393 N395 C402 A430 Y433 | L390-K398 HydrophobicContact CD1-CB 4.12Å; L390-K398 HydrophobicContact CD1-CG 4.01Å; C393-K398 WeakPolarHBondContact O-CE 3.42Å; C393-K398 PolarHBondContact O-NZ 2.83Å; N395-K398 PolarHBondContact O-N 2.92Å; N395-K398 PolarHBondContact OD1-NZ 3.19Å; K398-C402 VanDerWaalsContact O-CB 3.25Å; K398-C402 WeakPolarHBondContact O-CB 3.44Å; K398-C402 PolarHBondContact O-N 2.88Å; K398-C402 PolarHBondContact O-SG 3.13Å; K398-A430 HydrophobicContact CD-CB 4.45Å; K398-Y433 HydrophobicContact CB-CD1 3.91Å; K398-Y433 HydrophobicContact CB-CD2 3.9Å; K398-Y433 HydrophobicContact CB-CE1 4.5Å; K398-Y433 HydrophobicContact CB-CE2 4.48Å; K398-Y433 HydrophobicContact CB-CG 3.59Å; K398-Y433 HydrophobicContact CD-CD2 3.83Å; K398-Y433 HydrophobicContact CD-CE2 3.75Å; K398-Y433 HydrophobicContact CD-CG 4.38Å; K398-Y433 HydrophobicContact CG-CD2 4.47Å |
| 399 | G | 92.9 | Very high | 93 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 29% | 0.289 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.1 | -50.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F397 V401 C402 S403 | F397-G399 VanDerWaalsContact C-N 3.34Å; F397-G399 PolarHBondContact O-N 3.15Å; G399-V401 PolarHBondContact O-N 2.91Å; G399-C402 PolarHBondContact O-N 3.47Å; G399-S403 WeakPolarHBondContact O-CB 3.3Å; G399-S403 PolarHBondContact O-N 3.46Å |
| 400 | D | 92.2 | Very high | 92.9 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 35% | 0.353 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 178.4 | -66.6 | -20.8 | 0 | 0 | 0 | 111.3 | R364 F397 S403 N404 | R364-D400 IonicContact CZ-OD2 2.74Å; R364-D400 IonicContact NH1-OD2 2.78Å; R364-D400 PolarHBondContact NH1-OD2 3.4Å; R364-D400 IonicContact NH2-OD2 3.19Å; F397-D400 PolarHBondContact O-N 3.37Å; D400-S403 PolarHBondContact O-N 2.93Å; D400-N404 WeakPolarHBondContact O-CB 3.43Å; D400-N404 PolarHBondContact O-N 3.29Å; D400-N404 PolarHBondContact O-ND2 3.5Å |
| 401 | V | 95.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.3 | -42.2 | -179.4 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | I367 Y389 L390 F397 G399 N404 I405 | I367-V401 HydrophobicContact CD1-CG2 4.03Å; I367-V401 HydrophobicContact CG1-CG2 4.29Å; I367-V401 HydrophobicContact CG2-CG2 4.23Å; Y389-V401 HydrophobicContact CD1-CG2 4.06Å; Y389-V401 HydrophobicContact CE1-CG2 3.93Å; L390-V401 HydrophobicContact CB-CG1 4.11Å; L390-V401 HydrophobicContact CD1-CB 4.03Å; L390-V401 HydrophobicContact CD1-CG1 3.9Å; L390-V401 HydrophobicContact CG-CG1 4.46Å; F397-V401 WeakPolarHBondContact O-CB 3.33Å; F397-V401 WeakPolarHBondContact O-CG2 3.48Å; F397-V401 PolarHBondContact O-N 3.38Å; G399-V401 PolarHBondContact O-N 2.91Å; V401-N404 PolarHBondContact O-N 3.25Å; V401-I405 HydrophobicContact CG1-CD1 3.69Å; V401-I405 HydrophobicContact CG1-CG1 4.33Å; V401-I405 VanDerWaalsContact O-CG1 3.28Å; V401-I405 WeakPolarHBondContact O-CG1 3.27Å; V401-I405 PolarHBondContact O-N 2.82Å |
| 402 | C | 95 | Very high | 93.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 173.3 | -79.2 | 0 | 0 | 0 | 0 | 111.2 | K398 G399 N404 I405 S406 L426 | K398-C402 VanDerWaalsContact O-CB 3.25Å; K398-C402 WeakPolarHBondContact O-CB 3.44Å; K398-C402 PolarHBondContact O-N 2.88Å; K398-C402 PolarHBondContact O-SG 3.13Å; G399-C402 PolarHBondContact O-N 3.47Å; C402-N404 VanDerWaalsContact C-N 3.33Å; C402-N404 PolarHBondContact O-N 3.01Å; C402-I405 PolarHBondContact O-N 2.83Å; C402-S406 PolarHBondContact O-N 3.04Å; C402-S406 PolarHBondContact O-OG 3Å; C402-S406 VanDerWaalsContact O-OG 3.06Å; C402-L426 HydrophobicContact CB-CD1 4.45Å; C402-L426 HydrophobicContact CB-CD2 4.2Å |
| 403 | S | 94 | Very high | 93.3 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 177.9 | -168.6 | 0 | 0 | 0 | 0 | 111.9 | G399 D400 S406 I407 | G399-S403 WeakPolarHBondContact O-CB 3.3Å; G399-S403 PolarHBondContact O-N 3.46Å; D400-S403 PolarHBondContact O-N 2.93Å; S403-S406 PolarHBondContact O-N 3.44Å; S403-I407 VanDerWaalsContact O-CG1 3.31Å; S403-I407 WeakPolarHBondContact O-CG1 3.43Å; S403-I407 PolarHBondContact O-N 2.82Å |
| 404 | N | 93.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 48 Ų | 48 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 179.7 | -74.3 | -13.2 | 0 | 0 | 0 | 112.7 | F371 D400 V401 C402 A408 | F371-N404 HydrophobicContact CB-CB 4.37Å; F371-N404 HydrophobicContact CD2-CB 3.67Å; F371-N404 HydrophobicContact CE2-CB 4.21Å; F371-N404 WeakPolarHBondContact CE2-O 3.22Å; F371-N404 HydrophobicContact CG-CB 4.13Å; D400-N404 WeakPolarHBondContact O-CB 3.43Å; D400-N404 PolarHBondContact O-N 3.29Å; D400-N404 PolarHBondContact O-ND2 3.5Å; V401-N404 PolarHBondContact O-N 3.25Å; C402-N404 VanDerWaalsContact C-N 3.33Å; C402-N404 PolarHBondContact O-N 3.01Å; N404-A408 WeakPolarHBondContact O-CB 3.47Å; N404-A408 PolarHBondContact O-N 3.36Å |
| 405 | I | 95.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 175.6 | -64.4 | 163.7 | 0 | 0 | 0 | 110.6 | L386 L387 L390 V401 C402 A408 A409 T422 M423 L426 | L386-I405 HydrophobicContact CB-CD1 3.88Å; L386-I405 HydrophobicContact CB-CG1 3.92Å; L386-I405 HydrophobicContact CD1-CG1 4.28Å; L387-I405 HydrophobicContact CD2-CD1 3.96Å; L387-I405 HydrophobicContact CG-CD1 4.09Å; L390-I405 HydrophobicContact CD2-CD1 4.29Å; V401-I405 HydrophobicContact CG1-CD1 3.69Å; V401-I405 HydrophobicContact CG1-CG1 4.33Å; V401-I405 VanDerWaalsContact O-CG1 3.28Å; V401-I405 WeakPolarHBondContact O-CG1 3.27Å; V401-I405 PolarHBondContact O-N 2.82Å; C402-I405 PolarHBondContact O-N 2.83Å; I405-A408 PolarHBondContact O-N 3.05Å; I405-A409 VanDerWaalsContact O-CB 3.31Å; I405-A409 WeakPolarHBondContact O-CB 3.32Å; I405-A409 PolarHBondContact O-N 3.38Å; I405-T422 HydrophobicContact CG2-CG2 3.88Å; I405-M423 HydrophobicContact CG2-CE 4.11Å; I405-L426 HydrophobicContact CB-CD1 3.9Å; I405-L426 HydrophobicContact CG2-CD1 3.85Å |
| 406 | S | 94.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -54 | 177.3 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | C402 S403 A408 A409 E410 L426 | C402-S406 PolarHBondContact O-N 3.04Å; C402-S406 PolarHBondContact O-OG 3Å; C402-S406 VanDerWaalsContact O-OG 3.06Å; S403-S406 PolarHBondContact O-N 3.44Å; S406-A408 VanDerWaalsContact C-N 3.33Å; S406-A408 PolarHBondContact O-N 3.43Å; S406-A409 PolarHBondContact O-N 3.45Å; S406-E410 PolarHBondContact O-N 2.9Å; S406-L426 WeakPolarHBondContact OG-CD1 3.36Å |
| 407 | I | 95 | Very high | 93.7 | Very high | 75 Ų | 75 | 46 Ų | 46 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 179.8 | -62.9 | 164.1 | 0 | 0 | 0 | 111.1 | F371 S403 K411 | F371-I407 HydrophobicContact CE2-CB 4.24Å; F371-I407 HydrophobicContact CE2-CG2 4.21Å; F371-I407 HydrophobicContact CZ-CB 4.24Å; F371-I407 HydrophobicContact CZ-CG2 3.85Å; S403-I407 VanDerWaalsContact O-CG1 3.31Å; S403-I407 WeakPolarHBondContact O-CG1 3.43Å; S403-I407 PolarHBondContact O-N 2.82Å; I407-K411 VanDerWaalsContact O-CB 3.3Å; I407-K411 WeakPolarHBondContact O-CB 3.49Å; I407-K411 PolarHBondContact O-N 2.85Å; I407-K411 VanDerWaalsContact O-N 3.09Å |
| 408 | A | 93.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 48 Ų | 48 | 5% | 0.05 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F371 T374 N404 I405 S406 Y412 | F371-A408 HydrophobicContact CE2-CB 4.25Å; T374-A408 HydrophobicContact CG2-CB 3.98Å; N404-A408 WeakPolarHBondContact O-CB 3.47Å; N404-A408 PolarHBondContact O-N 3.36Å; I405-A408 PolarHBondContact O-N 3.05Å; S406-A408 VanDerWaalsContact C-N 3.33Å; S406-A408 PolarHBondContact O-N 3.43Å; A408-Y412 HydrophobicContact CB-CD2 4.41Å; A408-Y412 VanDerWaalsContact O-CB 3.28Å; A408-Y412 WeakPolarHBondContact O-CB 3.45Å; A408-Y412 WeakPolarHBondContact O-CD2 3.27Å; A408-Y412 PolarHBondContact O-N 2.95Å |
| 409 | A | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.9 | -47.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I405 S406 K411 Y412 A413 W418 T422 M423 | I405-A409 VanDerWaalsContact O-CB 3.31Å; I405-A409 WeakPolarHBondContact O-CB 3.32Å; I405-A409 PolarHBondContact O-N 3.38Å; S406-A409 PolarHBondContact O-N 3.45Å; A409-K411 VanDerWaalsContact C-N 3.29Å; A409-K411 PolarHBondContact O-N 2.78Å; A409-Y412 PolarHBondContact O-N 2.87Å; A409-A413 WeakPolarHBondContact O-CB 3.14Å; A409-A413 PolarHBondContact O-N 2.74Å; A409-W418 HydrophobicContact CB-CH2 4.34Å; A409-W418 HydrophobicContact CB-CZ3 3.95Å; A409-T422 HydrophobicContact CB-CG2 4.32Å; A409-M423 HydrophobicContact CB-CE 3.66Å |
| 410 | E | 93.1 | Very high | 94 | Very high | 111 Ų | 111 | 45.6 Ų | 45.6 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.8 | -44.4 | 177.7 | -174.9 | -178.8 | 175.6 | 0 | 0 | 111.8 | S406 | S406-E410 PolarHBondContact O-N 2.9Å |
| 411 | K | 93.8 | Very high | 94.2 | Very high | 130 Ų | 130 | 44.7 Ų | 44.7 | 57% | 0.565 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -81.6 | -33.7 | -176.2 | -170.5 | 175.2 | 177.2 | -169.5 | 0 | 114.6 | H376 I407 A409 | H376-K411 PolarHBondContact CE1-O 2.98Å; H376-K411 VanDerWaalsContact CE1-O 3.31Å; I407-K411 VanDerWaalsContact O-CB 3.3Å; I407-K411 WeakPolarHBondContact O-CB 3.49Å; I407-K411 PolarHBondContact O-N 2.85Å; I407-K411 VanDerWaalsContact O-N 3.09Å; A409-K411 VanDerWaalsContact C-N 3.29Å; A409-K411 PolarHBondContact O-N 2.78Å |
| 412 | Y | 95.2 | Very high | 94.1 | Very high | 42 Ų | 42 | 45 Ų | 45 | 17% | 0.165 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -119.4 | -3.1 | -167.5 | -56.3 | -59.6 | 0 | 0 | 0 | 115.4 | T374 H376 V379 A408 A409 | T374-Y412 HydrophobicContact CG2-CD2 4.04Å; T374-Y412 HydrophobicContact CG2-CE2 4.47Å; T374-Y412 WeakPolarHBondContact O-CE2 2.97Å; H376-Y412 AromaticContact CD2-CD1 3.72Å; H376-Y412 AromaticContact CE1-CD1 3.61Å; H376-Y412 AromaticContact CG-CD1 3.82Å; H376-Y412 AromaticContact ND1-CD1 3.76Å; H376-Y412 AromaticContact NE2-CD1 3.56Å; H376-Y412 AromaticContact NE2-CE1 3.9Å; V379-Y412 WeakPolarHBondContact CG1-O 3.41Å; A408-Y412 HydrophobicContact CB-CD2 4.41Å; A408-Y412 VanDerWaalsContact O-CB 3.28Å; A408-Y412 WeakPolarHBondContact O-CB 3.45Å; A408-Y412 WeakPolarHBondContact O-CD2 3.27Å; A408-Y412 PolarHBondContact O-N 2.95Å; A409-Y412 PolarHBondContact O-N 2.87Å |
| 413 | A | 93.6 | Very high | 94.2 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | trans | -51.4 | 132.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A409 W418 H419 | A409-A413 WeakPolarHBondContact O-CB 3.14Å; A409-A413 PolarHBondContact O-N 2.74Å; A413-W418 HydrophobicContact CB-CE3 3.64Å; A413-W418 HydrophobicContact CB-CZ3 3.77Å; A413-H419 HydrophobicContact CB-CB 3.79Å | ||
| 414 | P | 92.9 | Very high | 94.2 | Very high | 77 Ų | 77 | 44.6 Ų | 44.6 | 50% | 0.5 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -75.6 | -28.2 | 179.7 | 31.7 | -36.5 | 0 | 0 | 0 | 112.9 | W418 | P414-W418 HydrophobicContact CG-CB 4.21Å; P414-W418 HydrophobicContact CG-CD2 4.18Å; P414-W418 HydrophobicContact CG-CE3 4.47Å; P414-W418 HydrophobicContact CG-CG 4.05Å |
| 415 | N | 93.1 | Very high | 94.2 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -155.7 | 164.3 | 174.9 | 64.1 | 58.8 | 0 | 0 | 0 | 110.5 | R417 W418 H419 | N415-R417 PolarHBondContact O-N 2.86Å; N415-R417 PolarHBondContact OD1-N 2.77Å; N415-W418 WeakPolarHBondContact OD1-CB 3.4Å; N415-W418 PolarHBondContact OD1-N 2.91Å; N415-H419 PolarHBondContact O-N 3.24Å |
| 416 | K | 92.2 | Very high | 94.2 | Very high | 110 Ų | 110 | 47.8 Ų | 47.8 | 48% | 0.478 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.4 | -34.2 | -175.4 | -60.6 | -67.2 | -177.7 | 175.7 | 0 | 113 | H419 V420 L445 L452 | K416-H419 WeakPolarHBondContact O-CB 3.44Å; K416-H419 PolarHBondContact O-N 2.96Å; K416-V420 WeakPolarHBondContact O-CG2 3.39Å; K416-V420 PolarHBondContact O-N 3.06Å; K416-L445 HydrophobicContact CD-CD1 3.89Å; K416-L452 HydrophobicContact CB-CD1 4.24Å |
| 417 | R | 92.8 | Very high | 94.2 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.1 | -51.4 | 176.5 | -172.3 | 169.8 | 178.5 | 175.3 | -2.3 | 111.3 | N415 H419 V420 D421 L452 Y455 D496 | N415-R417 PolarHBondContact O-N 2.86Å; N415-R417 PolarHBondContact OD1-N 2.77Å; R417-H419 VanDerWaalsContact C-N 3.26Å; R417-H419 PolarHBondContact O-N 3.15Å; R417-V420 PolarHBondContact O-N 3.47Å; R417-V420 VanDerWaalsContact O-N 3.16Å; R417-D421 VanDerWaalsContact O-CG 3.31Å; R417-D421 PolarHBondContact O-N 3.36Å; R417-L452 HydrophobicContact CB-CD1 4.37Å; R417-L452 HydrophobicContact CB-CD2 3.95Å; R417-L452 HydrophobicContact CG-CD2 4.02Å; R417-Y455 HydrophobicContact CG-CE1 4.21Å; R417-D496 IonicContact CZ-OD2 2.73Å; R417-D496 VanDerWaalsContact CZ-OD2 3.26Å; R417-D496 IonicContact NH1-OD2 2.7Å; R417-D496 PolarHBondContact NH1-OD2 2.89Å; R417-D496 IonicContact NH2-OD2 2.85Å; R417-D496 PolarHBondContact NH2-OD2 2.98Å |
| 418 | W | 94.9 | Very high | 94.1 | Very high | 44 Ų | 44 | 45.4 Ų | 45.4 | 17% | 0.167 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.6 | -36.7 | 175.4 | -179.2 | 91 | 0 | 0 | 0 | 112.6 | V379 A383 A409 A413 P414 N415 T422 | V379-W418 HydrophobicContact CG1-CH2 4.44Å; V379-W418 HydrophobicContact CG2-CH2 3.65Å; V379-W418 HydrophobicContact CG2-CZ2 4.31Å; V379-W418 HydrophobicContact CG2-CZ3 4.32Å; A383-W418 HydrophobicContact CB-CH2 4.07Å; A383-W418 HydrophobicContact CB-CZ2 3.89Å; A409-W418 HydrophobicContact CB-CH2 4.34Å; A409-W418 HydrophobicContact CB-CZ3 3.95Å; A413-W418 HydrophobicContact CB-CE3 3.64Å; A413-W418 HydrophobicContact CB-CZ3 3.77Å; P414-W418 HydrophobicContact CG-CB 4.21Å; P414-W418 HydrophobicContact CG-CD2 4.18Å; P414-W418 HydrophobicContact CG-CE3 4.47Å; P414-W418 HydrophobicContact CG-CG 4.05Å; N415-W418 WeakPolarHBondContact OD1-CB 3.4Å; N415-W418 PolarHBondContact OD1-N 2.91Å; W418-T422 VanDerWaalsContact CE2-OG1 3.29Å; W418-T422 HydrophobicContact CH2-CG2 4.04Å; W418-T422 HydrophobicContact CZ2-CG2 4.31Å; W418-T422 VanDerWaalsContact CZ2-OG1 3.32Å; W418-T422 WeakPolarHBondContact CZ2-OG1 3.26Å; W418-T422 VanDerWaalsContact O-CB 3.32Å; W418-T422 WeakPolarHBondContact O-CB 3.43Å; W418-T422 PolarHBondContact O-N 2.77Å; W418-T422 PolarHBondContact O-OG1 2.95Å |
| 419 | H | 95.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -47.2 | 176.7 | -170.5 | -1.9 | 0 | 0 | 0 | 111.4 | A413 N415 K416 R417 T422 M423 L445 | A413-H419 HydrophobicContact CB-CB 3.79Å; N415-H419 PolarHBondContact O-N 3.24Å; K416-H419 WeakPolarHBondContact O-CB 3.44Å; K416-H419 PolarHBondContact O-N 2.96Å; R417-H419 VanDerWaalsContact C-N 3.26Å; R417-H419 PolarHBondContact O-N 3.15Å; H419-T422 PolarHBondContact O-N 2.87Å; H419-M423 VanDerWaalsContact O-CG 3.32Å; H419-M423 WeakPolarHBondContact O-CG 3.27Å; H419-M423 PolarHBondContact O-N 2.92Å; H419-M423 VanDerWaalsContact O-N 3.08Å; H419-L445 HydrophobicContact CB-CD2 4.03Å |
| 420 | V | 94.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -49.3 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | K416 R417 T422 M423 M424 L442 L445 I446 L452 A456 | K416-V420 WeakPolarHBondContact O-CG2 3.39Å; K416-V420 PolarHBondContact O-N 3.06Å; R417-V420 PolarHBondContact O-N 3.47Å; R417-V420 VanDerWaalsContact O-N 3.16Å; V420-T422 VanDerWaalsContact C-N 3.33Å; V420-T422 PolarHBondContact O-N 3.37Å; V420-M423 PolarHBondContact O-N 3.03Å; V420-M423 VanDerWaalsContact O-N 3.16Å; V420-M424 HydrophobicContact CG1-CE 3.98Å; V420-M424 HydrophobicContact CG1-CG 4.12Å; V420-M424 HydrophobicContact CG1-SD 4Å; V420-M424 WeakPolarHBondContact O-CB 3.41Å; V420-M424 VanDerWaalsContact O-CG 3.3Å; V420-M424 WeakPolarHBondContact O-CG 3.21Å; V420-M424 PolarHBondContact O-N 2.99Å; V420-L442 HydrophobicContact CG1-CD1 4.23Å; V420-L442 HydrophobicContact CG2-CD1 4.45Å; V420-L445 HydrophobicContact CG2-CD2 3.58Å; V420-L445 HydrophobicContact CG2-CG 3.75Å; V420-I446 HydrophobicContact CG1-CD1 4.34Å; V420-I446 HydrophobicContact CG1-CG1 4.11Å; V420-I446 HydrophobicContact CG2-CG1 4.22Å; V420-L452 HydrophobicContact CG2-CD1 4.16Å; V420-A456 HydrophobicContact CG1-CB 4.3Å |
| 421 | D | 94.5 | Very high | 93.6 | Very high | 47 Ų | 47 | 41.3 Ų | 41.3 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.4 | -43.5 | 178.5 | -70.1 | -32.9 | 0 | 0 | 0 | 113.1 | R417 M424 K425 Y455 | R417-D421 VanDerWaalsContact O-CG 3.31Å; R417-D421 PolarHBondContact O-N 3.36Å; D421-M424 WeakPolarHBondContact OD1-CE 3.21Å; D421-K425 WeakPolarHBondContact O-CB 3.4Å; D421-K425 PolarHBondContact O-N 3.15Å; D421-Y455 VanDerWaalsContact OD1-CE1 3.29Å; D421-Y455 WeakPolarHBondContact OD1-CE1 3.27Å; D421-Y455 PolarHBondContact OD1-OH 3.36Å; D421-Y455 VanDerWaalsContact OD1-OH 3.05Å |
| 422 | T | 95 | Very high | 93.5 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 179.1 | -58 | 0 | 0 | 0 | 0 | 111.2 | A383 L387 I405 A409 W418 H419 V420 K425 L426 | A383-T422 HydrophobicContact CB-CG2 4.3Å; L387-T422 HydrophobicContact CD1-CG2 4.32Å; I405-T422 HydrophobicContact CG2-CG2 3.88Å; A409-T422 HydrophobicContact CB-CG2 4.32Å; W418-T422 VanDerWaalsContact CE2-OG1 3.29Å; W418-T422 HydrophobicContact CH2-CG2 4.04Å; W418-T422 HydrophobicContact CZ2-CG2 4.31Å; W418-T422 VanDerWaalsContact CZ2-OG1 3.32Å; W418-T422 WeakPolarHBondContact CZ2-OG1 3.26Å; W418-T422 VanDerWaalsContact O-CB 3.32Å; W418-T422 WeakPolarHBondContact O-CB 3.43Å; W418-T422 PolarHBondContact O-N 2.77Å; W418-T422 PolarHBondContact O-OG1 2.95Å; H419-T422 PolarHBondContact O-N 2.87Å; V420-T422 VanDerWaalsContact C-N 3.33Å; V420-T422 PolarHBondContact O-N 3.37Å; T422-K425 PolarHBondContact O-N 3.23Å; T422-L426 WeakPolarHBondContact O-CB 3.28Å; T422-L426 PolarHBondContact O-N 3.16Å |
| 423 | M | 96 | Very high | 93.4 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.8 | -42 | 177.5 | -66.1 | -60.2 | 89.6 | 0 | 0 | 111.9 | I405 A409 H419 V420 K425 L426 L427 V438 L442 | I405-M423 HydrophobicContact CG2-CE 4.11Å; A409-M423 HydrophobicContact CB-CE 3.66Å; H419-M423 VanDerWaalsContact O-CG 3.32Å; H419-M423 WeakPolarHBondContact O-CG 3.27Å; H419-M423 PolarHBondContact O-N 2.92Å; H419-M423 VanDerWaalsContact O-N 3.08Å; V420-M423 PolarHBondContact O-N 3.03Å; V420-M423 VanDerWaalsContact O-N 3.16Å; M423-K425 VanDerWaalsContact C-N 3.3Å; M423-K425 PolarHBondContact O-N 3.37Å; M423-L426 HydrophobicContact CE-CD1 3.91Å; M423-L426 WeakPolarHBondContact O-CB 3.35Å; M423-L426 PolarHBondContact O-N 3.06Å; M423-L427 WeakPolarHBondContact O-CG 3.11Å; M423-L427 PolarHBondContact O-N 3.42Å; M423-V438 HydrophobicContact SD-CG1 4.45Å; M423-L442 HydrophobicContact CB-CD1 3.81Å; M423-L442 HydrophobicContact CB-CD2 4.02Å; M423-L442 HydrophobicContact CB-CG 4.38Å; M423-L442 HydrophobicContact CG-CD1 4.49Å |
| 424 | M | 93.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 172.5 | -69.8 | -169.3 | -57.3 | 0 | 0 | 111.1 | V420 D421 L427 T428 L442 Y455 Q459 L460 | V420-M424 HydrophobicContact CG1-CE 3.98Å; V420-M424 HydrophobicContact CG1-CG 4.12Å; V420-M424 HydrophobicContact CG1-SD 4Å; V420-M424 WeakPolarHBondContact O-CB 3.41Å; V420-M424 VanDerWaalsContact O-CG 3.3Å; V420-M424 WeakPolarHBondContact O-CG 3.21Å; V420-M424 PolarHBondContact O-N 2.99Å; D421-M424 WeakPolarHBondContact OD1-CE 3.21Å; M424-L427 PolarHBondContact O-N 3.4Å; M424-T428 WeakPolarHBondContact O-CB 3.44Å; M424-T428 PolarHBondContact O-N 2.92Å; M424-T428 PolarHBondContact O-OG1 3Å; M424-L442 HydrophobicContact CG-CD2 4.44Å; M424-Y455 HydrophobicContact CE-CE1 4.36Å; M424-Q459 HydrophobicContact CE-CB 3.83Å; M424-Q459 HydrophobicContact CE-CG 4.34Å; M424-Q459 HydrophobicContact SD-CB 3.93Å; M424-L460 HydrophobicContact CG-CD2 3.98Å; M424-L460 HydrophobicContact CG-CG 4.24Å; M424-L460 HydrophobicContact SD-CD1 4.39Å; M424-L460 HydrophobicContact SD-CD2 4.12Å; M424-L460 HydrophobicContact SD-CG 3.75Å |
| 425 | K | 94.5 | Very high | 93.2 | Very high | 99 Ų | 99 | 43.8 Ų | 43.8 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.7 | -36.2 | 178.8 | -172.1 | 57.7 | 178.6 | 175.9 | 0 | 112.7 | L387 D421 T422 M423 T429 | L387-K425 HydrophobicContact CD1-CB 4.27Å; L387-K425 HydrophobicContact CD1-CG 4.01Å; L387-K425 HydrophobicContact CD2-CG 4.41Å; D421-K425 WeakPolarHBondContact O-CB 3.4Å; D421-K425 PolarHBondContact O-N 3.15Å; T422-K425 PolarHBondContact O-N 3.23Å; M423-K425 VanDerWaalsContact C-N 3.3Å; M423-K425 PolarHBondContact O-N 3.37Å; K425-T429 WeakPolarHBondContact O-CB 3.44Å; K425-T429 PolarHBondContact O-N 2.85Å; K425-T429 PolarHBondContact O-OG1 3.32Å |
| 426 | L | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -53.7 | 171.9 | -176.2 | 163.6 | 0 | 0 | 0 | 110.6 | L387 C402 I405 S406 T422 M423 T428 T429 A430 A434 | L387-L426 HydrophobicContact CD2-CB 4.16Å; C402-L426 HydrophobicContact CB-CD1 4.45Å; C402-L426 HydrophobicContact CB-CD2 4.2Å; I405-L426 HydrophobicContact CB-CD1 3.9Å; I405-L426 HydrophobicContact CG2-CD1 3.85Å; S406-L426 WeakPolarHBondContact OG-CD1 3.36Å; T422-L426 WeakPolarHBondContact O-CB 3.28Å; T422-L426 PolarHBondContact O-N 3.16Å; M423-L426 HydrophobicContact CE-CD1 3.91Å; M423-L426 WeakPolarHBondContact O-CB 3.35Å; M423-L426 PolarHBondContact O-N 3.06Å; L426-T428 VanDerWaalsContact C-N 3.3Å; L426-T428 PolarHBondContact O-N 3.2Å; L426-T429 PolarHBondContact O-N 2.98Å; L426-A430 PolarHBondContact O-N 3.42Å; L426-A434 HydrophobicContact CD2-CB 4Å |
| 427 | L | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -36.8 | 179.8 | -66 | -172.8 | 0 | 0 | 0 | 112.6 | M423 M424 T429 G431 A434 V438 L442 Q470 P472 L473 V476 | M423-L427 WeakPolarHBondContact O-CG 3.11Å; M423-L427 PolarHBondContact O-N 3.42Å; M424-L427 PolarHBondContact O-N 3.4Å; L427-T429 VanDerWaalsContact C-N 3.28Å; L427-T429 PolarHBondContact O-N 2.69Å; L427-G431 VanDerWaalsContact O-CA 3.27Å; L427-G431 WeakPolarHBondContact O-CA 3.31Å; L427-G431 PolarHBondContact O-N 2.81Å; L427-A434 HydrophobicContact CD2-CB 3.93Å; L427-V438 HydrophobicContact CD2-CG1 3.89Å; L427-V438 HydrophobicContact CG-CG1 4.49Å; L427-L442 HydrophobicContact CD1-CD2 3.68Å; L427-Q470 WeakPolarHBondContact O-CB 3.25Å; L427-Q470 WeakPolarHBondContact O-CG 3.48Å; L427-P472 HydrophobicContact CD2-CB 3.95Å; L427-L473 HydrophobicContact CB-CB 4.11Å; L427-L473 HydrophobicContact CB-CD1 3.97Å; L427-V476 HydrophobicContact CD1-CG2 3.98Å |
| 428 | T | 93.4 | Very high | 92.6 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 24% | 0.239 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -33.2 | 174.2 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | M424 L426 A467 | M424-T428 WeakPolarHBondContact O-CB 3.44Å; M424-T428 PolarHBondContact O-N 2.92Å; M424-T428 PolarHBondContact O-OG1 3Å; L426-T428 VanDerWaalsContact C-N 3.3Å; L426-T428 PolarHBondContact O-N 3.2Å; T428-A467 HydrophobicContact CG2-CB 4.26Å |
| 429 | T | 92 | Very high | 92.4 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 17% | 0.172 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -85.9 | -51.1 | -174.3 | -56.5 | 0 | 0 | 0 | 0 | 112 | L390 Q391 K425 L426 L427 Q470 | L390-T429 HydrophobicContact CB-CG2 4.26Å; L390-T429 HydrophobicContact CD2-CG2 3.96Å; L390-T429 HydrophobicContact CG-CG2 3.9Å; Q391-T429 HydrophobicContact CB-CG2 4.46Å; Q391-T429 HydrophobicContact CG-CG2 3.47Å; Q391-T429 VanDerWaalsContact CG-CG2 3.47Å; K425-T429 WeakPolarHBondContact O-CB 3.44Å; K425-T429 PolarHBondContact O-N 2.85Å; K425-T429 PolarHBondContact O-OG1 3.32Å; L426-T429 PolarHBondContact O-N 2.98Å; L427-T429 VanDerWaalsContact C-N 3.28Å; L427-T429 PolarHBondContact O-N 2.69Å; T429-Q470 PolarHBondContact O-NE2 2.96Å |
| 430 | A | 90.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -147.3 | 38.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L390 K398 L426 N432 Y433 A434 | L390-A430 HydrophobicContact CD1-CB 3.88Å; L390-A430 HydrophobicContact CD2-CB 3.99Å; L390-A430 HydrophobicContact CG-CB 3.87Å; K398-A430 HydrophobicContact CD-CB 4.45Å; L426-A430 PolarHBondContact O-N 3.42Å; A430-N432 PolarHBondContact O-N 2.94Å; A430-Y433 HydrophobicContact CB-CD2 4.27Å; A430-Y433 PolarHBondContact O-N 2.94Å; A430-A434 PolarHBondContact O-N 3.43Å |
| 431 | G | 87.7 | Confident | 91.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -50.5 | -39.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L427 Y433 A434 Q470 P472 | L427-G431 VanDerWaalsContact O-CA 3.27Å; L427-G431 WeakPolarHBondContact O-CA 3.31Å; L427-G431 PolarHBondContact O-N 2.81Å; G431-Y433 PolarHBondContact O-N 3.06Å; G431-Y433 VanDerWaalsContact O-N 3.07Å; G431-A434 VanDerWaalsContact O-CB 3.27Å; G431-A434 WeakPolarHBondContact O-CB 3.45Å; G431-A434 PolarHBondContact O-N 3.4Å; G431-Q470 VanDerWaalsContact N-OE1 3.1Å; G431-P472 WeakPolarHBondContact O-CG 3.46Å |
| 432 | N | 91.6 | Very high | 91.9 | Very high | 79 Ų | 79 | 40.7 Ų | 40.7 | 42% | 0.422 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -64.3 | -11 | 177.3 | -66.1 | -19 | 0 | 0 | 0 | 115 | A430 S469 Q470 Q471 | A430-N432 PolarHBondContact O-N 2.94Å; N432-S469 PolarHBondContact ND2-O 2.85Å; N432-Q470 WeakPolarHBondContact OD1-CA 3.2Å; N432-Q471 PolarHBondContact OD1-N 2.85Å |
| 433 | Y | 92.6 | Very high | 91.7 | Very high | 97 Ų | 97 | 41 Ų | 41 | 38% | 0.38 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -107.8 | -1.4 | 173.4 | -62.9 | -87.9 | 0 | 0 | 0 | 112.7 | N395 K398 A430 G431 | N395-Y433 HydrophobicContact CB-CE1 4.12Å; N395-Y433 PolarHBondContact OD1-OH 2.96Å; K398-Y433 HydrophobicContact CB-CD1 3.91Å; K398-Y433 HydrophobicContact CB-CD2 3.9Å; K398-Y433 HydrophobicContact CB-CE1 4.5Å; K398-Y433 HydrophobicContact CB-CE2 4.48Å; K398-Y433 HydrophobicContact CB-CG 3.59Å; K398-Y433 HydrophobicContact CD-CD2 3.83Å; K398-Y433 HydrophobicContact CD-CE2 3.75Å; K398-Y433 HydrophobicContact CD-CG 4.38Å; K398-Y433 HydrophobicContact CG-CD2 4.47Å; A430-Y433 HydrophobicContact CB-CD2 4.27Å; A430-Y433 PolarHBondContact O-N 2.94Å; G431-Y433 PolarHBondContact O-N 3.06Å; G431-Y433 VanDerWaalsContact O-N 3.07Å |
| 434 | A | 91.6 | Very high | 91.5 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -70.3 | 152.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L426 L427 A430 G431 V438 | L426-A434 HydrophobicContact CD2-CB 4Å; L427-A434 HydrophobicContact CD2-CB 3.93Å; A430-A434 PolarHBondContact O-N 3.43Å; G431-A434 VanDerWaalsContact O-CB 3.27Å; G431-A434 WeakPolarHBondContact O-CB 3.45Å; G431-A434 PolarHBondContact O-N 3.4Å; A434-V438 HydrophobicContact CB-CB 4.2Å; A434-V438 HydrophobicContact CB-CG1 4.43Å; A434-V438 HydrophobicContact CB-CG2 4.17Å |
| 435 | R | 90 | Very high | 91.3 | Very high | 141 Ų | 141 | 41.3 Ų | 41.3 | 53% | 0.532 | 21% | 0.212 | S | C | . | . | trans | -72.1 | 152.4 | 173.8 | -58 | 168.6 | 48 | 85.2 | 16.9 | 110.3 | D437 V438 | R435-D437 WeakPolarHBondContact CB-OD1 3.38Å; R435-D437 IonicContact CZ-OD1 2.71Å; R435-D437 VanDerWaalsContact CZ-OD1 3.27Å; R435-D437 IonicContact NE-OD1 2.85Å; R435-D437 PolarHBondContact NE-OD1 3.02Å; R435-D437 IonicContact NE-OD2 2.71Å; R435-D437 IonicContact NH2-OD1 3.15Å; R435-D437 PolarHBondContact NH2-OD1 3.38Å; R435-D437 PolarHBondContact O-N 3.4Å; R435-D437 VanDerWaalsContact O-N 3.14Å; R435-V438 HydrophobicContact CB-CG2 4.35Å; R435-V438 WeakPolarHBondContact O-CB 3.46Å; R435-V438 WeakPolarHBondContact O-CG2 3.46Å; R435-V438 PolarHBondContact O-N 2.9Å | ||
| 436 | D | 85.6 | Confident | 91.2 | Very high | 152 Ų | 152 | 36.6 Ų | 36.6 | 81% | 0.813 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -30.8 | -179 | -58 | -37.5 | 0 | 0 | 0 | 113 | V438 V439 | D436-V438 PolarHBondContact O-N 3.19Å; D436-V439 PolarHBondContact O-N 3.17Å |
| 437 | D | 88.4 | Confident | 91 | Very high | 69 Ų | 69 | 36.7 Ų | 36.7 | 37% | 0.369 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.2 | -18 | 175.7 | 52.4 | -84.8 | 0 | 0 | 0 | 114.5 | R435 V439 S440 S441 | R435-D437 WeakPolarHBondContact CB-OD1 3.38Å; R435-D437 IonicContact CZ-OD1 2.71Å; R435-D437 VanDerWaalsContact CZ-OD1 3.27Å; R435-D437 IonicContact NE-OD1 2.85Å; R435-D437 PolarHBondContact NE-OD1 3.02Å; R435-D437 IonicContact NE-OD2 2.71Å; R435-D437 IonicContact NH2-OD1 3.15Å; R435-D437 PolarHBondContact NH2-OD1 3.38Å; R435-D437 PolarHBondContact O-N 3.4Å; R435-D437 VanDerWaalsContact O-N 3.14Å; D437-V439 VanDerWaalsContact C-N 3.33Å; D437-V439 PolarHBondContact O-N 2.91Å; D437-S440 PolarHBondContact O-OG 3.35Å; D437-S441 WeakPolarHBondContact O-CB 3.5Å; D437-S441 PolarHBondContact O-N 2.95Å |
| 438 | V | 91.7 | Very high | 90.7 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.3 | -32.7 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | M423 L427 A434 R435 D436 L442 | M423-V438 HydrophobicContact SD-CG1 4.45Å; L427-V438 HydrophobicContact CD2-CG1 3.89Å; L427-V438 HydrophobicContact CG-CG1 4.49Å; A434-V438 HydrophobicContact CB-CB 4.2Å; A434-V438 HydrophobicContact CB-CG1 4.43Å; A434-V438 HydrophobicContact CB-CG2 4.17Å; R435-V438 HydrophobicContact CB-CG2 4.35Å; R435-V438 WeakPolarHBondContact O-CB 3.46Å; R435-V438 WeakPolarHBondContact O-CG2 3.46Å; R435-V438 PolarHBondContact O-N 2.9Å; D436-V438 PolarHBondContact O-N 3.19Å; V438-L442 WeakPolarHBondContact O-CB 3.48Å; V438-L442 PolarHBondContact O-N 3.29Å |
| 439 | V | 90.7 | Very high | 90.5 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 15% | 0.145 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.8 | -51.9 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | D436 D437 L442 V443 P472 V476 | D436-V439 PolarHBondContact O-N 3.17Å; D437-V439 VanDerWaalsContact C-N 3.33Å; D437-V439 PolarHBondContact O-N 2.91Å; V439-L442 PolarHBondContact O-N 2.88Å; V439-V443 WeakPolarHBondContact O-CB 3.14Å; V439-V443 VanDerWaalsContact O-CG2 3.25Å; V439-V443 WeakPolarHBondContact O-CG2 3.35Å; V439-V443 PolarHBondContact O-N 2.85Å; V439-P472 HydrophobicContact CG2-CB 3.62Å; V439-P472 HydrophobicContact CG2-CG 4.35Å; V439-V476 HydrophobicContact CB-CG2 4.37Å; V439-V476 HydrophobicContact CG1-CG2 3.89Å; V439-V476 HydrophobicContact CG2-CG2 4.42Å |
| 440 | S | 90.4 | Very high | 90.2 | Very high | 40 Ų | 40 | 44 Ų | 44 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.6 | -36.5 | -179.4 | 56 | 0 | 0 | 0 | 0 | 112.2 | D437 S444 | D437-S440 PolarHBondContact O-OG 3.35Å; S440-S444 VanDerWaalsContact O-CB 3.25Å; S440-S444 WeakPolarHBondContact O-CB 3.25Å; S440-S444 PolarHBondContact O-N 2.84Å |
| 441 | S | 90.3 | Very high | 90 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | D437 S444 L445 | D437-S441 WeakPolarHBondContact O-CB 3.5Å; D437-S441 PolarHBondContact O-N 2.95Å; S441-S444 PolarHBondContact O-N 3.44Å; S441-L445 VanDerWaalsContact O-CB 3.27Å; S441-L445 WeakPolarHBondContact O-CB 3.49Å; S441-L445 PolarHBondContact O-N 2.83Å |
| 442 | L | 93.9 | Very high | 90 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 178.4 | -176.1 | 55.4 | 0 | 0 | 0 | 112.7 | V420 M423 M424 L427 V438 V439 L445 I446 V476 | V420-L442 HydrophobicContact CG1-CD1 4.23Å; V420-L442 HydrophobicContact CG2-CD1 4.45Å; M423-L442 HydrophobicContact CB-CD1 3.81Å; M423-L442 HydrophobicContact CB-CD2 4.02Å; M423-L442 HydrophobicContact CB-CG 4.38Å; M423-L442 HydrophobicContact CG-CD1 4.49Å; M424-L442 HydrophobicContact CG-CD2 4.44Å; L427-L442 HydrophobicContact CD1-CD2 3.68Å; V438-L442 WeakPolarHBondContact O-CB 3.48Å; V438-L442 PolarHBondContact O-N 3.29Å; V439-L442 PolarHBondContact O-N 2.88Å; L442-L445 HydrophobicContact CD1-CD2 4.24Å; L442-L445 PolarHBondContact O-N 2.86Å; L442-I446 HydrophobicContact CD1-CD1 3.93Å; L442-I446 HydrophobicContact CD1-CG1 4.12Å; L442-I446 HydrophobicContact CG-CD1 3.95Å; L442-I446 WeakPolarHBondContact O-CG1 3.32Å; L442-I446 PolarHBondContact O-N 3.07Å; L442-V476 HydrophobicContact CD2-CG1 3.91Å; L442-V476 HydrophobicContact CD2-CG2 4.36Å; L442-V476 HydrophobicContact CG-CG1 4.06Å |
| 443 | V | 91.8 | Very high | 89.9 | Confident | 16 Ų | 16 | 47 Ų | 47 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 173.6 | 164.3 | 0 | 0 | 0 | 0 | 111 | V439 I446 S447 V476 W479 | V439-V443 WeakPolarHBondContact O-CB 3.14Å; V439-V443 VanDerWaalsContact O-CG2 3.25Å; V439-V443 WeakPolarHBondContact O-CG2 3.35Å; V439-V443 PolarHBondContact O-N 2.85Å; V443-I446 PolarHBondContact O-N 2.85Å; V443-S447 WeakPolarHBondContact O-CB 3.44Å; V443-S447 PolarHBondContact O-N 2.92Å; V443-V476 HydrophobicContact CG2-CG1 4.39Å; V443-V476 HydrophobicContact CG2-CG2 4.31Å; V443-W479 HydrophobicContact CB-CD2 4.42Å; V443-W479 HydrophobicContact CB-CE3 4.2Å; V443-W479 HydrophobicContact CB-CZ3 4.34Å; V443-W479 HydrophobicContact CG1-CD2 3.76Å; V443-W479 HydrophobicContact CG1-CE3 3.9Å; V443-W479 HydrophobicContact CG1-CG 4.47Å; V443-W479 HydrophobicContact CG1-CH2 3.94Å; V443-W479 HydrophobicContact CG1-CZ2 3.76Å; V443-W479 HydrophobicContact CG1-CZ3 3.99Å; V443-W479 HydrophobicContact CG2-CD2 3.96Å; V443-W479 HydrophobicContact CG2-CE3 3.77Å; V443-W479 HydrophobicContact CG2-CG 4.31Å; V443-W479 HydrophobicContact CG2-CZ3 4.37Å |
| 444 | S | 90.3 | Very high | 89.6 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 176.3 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | S440 S441 I446 S447 Q448 | S440-S444 VanDerWaalsContact O-CB 3.25Å; S440-S444 WeakPolarHBondContact O-CB 3.25Å; S440-S444 PolarHBondContact O-N 2.84Å; S441-S444 PolarHBondContact O-N 3.44Å; S444-I446 PolarHBondContact O-N 2.9Å; S444-S447 PolarHBondContact O-N 2.96Å; S444-Q448 WeakPolarHBondContact O-CB 3.28Å; S444-Q448 VanDerWaalsContact O-CG 3.28Å; S444-Q448 WeakPolarHBondContact O-CG 3.44Å; S444-Q448 PolarHBondContact O-N 2.81Å; S444-Q448 PolarHBondContact OG-NE2 2.84Å |
| 445 | L | 91.2 | Very high | 89.4 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 177.8 | 179.7 | 65.9 | 0 | 0 | 0 | 112.4 | K416 H419 V420 S441 L442 N449 | K416-L445 HydrophobicContact CD-CD1 3.89Å; H419-L445 HydrophobicContact CB-CD2 4.03Å; V420-L445 HydrophobicContact CG2-CD2 3.58Å; V420-L445 HydrophobicContact CG2-CG 3.75Å; S441-L445 VanDerWaalsContact O-CB 3.27Å; S441-L445 WeakPolarHBondContact O-CB 3.49Å; S441-L445 PolarHBondContact O-N 2.83Å; L442-L445 HydrophobicContact CD1-CD2 4.24Å; L442-L445 PolarHBondContact O-N 2.86Å; L445-N449 PolarHBondContact O-ND2 3.47Å |
| 446 | I | 92 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.1 | -48.4 | 176.7 | -66.7 | 167 | 0 | 0 | 0 | 110.1 | V420 L442 V443 S444 Q448 N449 H453 A456 L460 V476 W479 T480 Y484 | V420-I446 HydrophobicContact CG1-CD1 4.34Å; V420-I446 HydrophobicContact CG1-CG1 4.11Å; V420-I446 HydrophobicContact CG2-CG1 4.22Å; L442-I446 HydrophobicContact CD1-CD1 3.93Å; L442-I446 HydrophobicContact CD1-CG1 4.12Å; L442-I446 HydrophobicContact CG-CD1 3.95Å; L442-I446 WeakPolarHBondContact O-CG1 3.32Å; L442-I446 PolarHBondContact O-N 3.07Å; V443-I446 PolarHBondContact O-N 2.85Å; S444-I446 PolarHBondContact O-N 2.9Å; I446-Q448 PolarHBondContact O-N 3.42Å; I446-Q448 VanDerWaalsContact O-N 3.17Å; I446-N449 PolarHBondContact O-N 3.19Å; I446-H453 PolarHBondContact O-CD2 3.09Å; I446-H453 PolarHBondContact O-NE2 2.79Å; I446-A456 HydrophobicContact CD1-CB 4.21Å; I446-A456 HydrophobicContact CG1-CB 4.34Å; I446-A456 HydrophobicContact CG2-CB 4.31Å; I446-L460 HydrophobicContact CD1-CD1 3.84Å; I446-V476 HydrophobicContact CD1-CG1 4.26Å; I446-W479 HydrophobicContact CB-CZ3 4.15Å; I446-W479 HydrophobicContact CG2-CZ3 4.05Å; I446-T480 HydrophobicContact CD1-CG2 3.96Å; I446-T480 HydrophobicContact CG2-CG2 4.07Å; I446-Y484 HydrophobicContact CG2-CE2 4.15Å |
| 447 | S | 90.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.4 | -35 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 113.7 | V443 S444 N449 | V443-S447 WeakPolarHBondContact O-CB 3.44Å; V443-S447 PolarHBondContact O-N 2.92Å; S444-S447 PolarHBondContact O-N 2.96Å; S447-N449 VanDerWaalsContact C-N 3.34Å |
| 448 | Q | 88.6 | Confident | 89.6 | Confident | 63 Ų | 63 | 27.8 Ų | 27.8 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.4 | 178.7 | -70.3 | 177.3 | 8.4 | 0 | 0 | 114.3 | S444 I446 V588 L589 T591 | S444-Q448 WeakPolarHBondContact O-CB 3.28Å; S444-Q448 VanDerWaalsContact O-CG 3.28Å; S444-Q448 WeakPolarHBondContact O-CG 3.44Å; S444-Q448 PolarHBondContact O-N 2.81Å; S444-Q448 PolarHBondContact OG-NE2 2.84Å; I446-Q448 PolarHBondContact O-N 3.42Å; I446-Q448 VanDerWaalsContact O-N 3.17Å; Q448-V588 HydrophobicContact CB-CG1 4.32Å; Q448-V588 HydrophobicContact CG-CG1 3.54Å; Q448-L589 PolarHBondContact NE2-O 3.06Å; Q448-T591 PolarHBondContact NE2-OG1 3.12Å; Q448-T591 VanDerWaalsContact NE2-OG1 3.09Å |
| 449 | N | 88.4 | Confident | 89.5 | Confident | 32 Ų | 32 | 31 Ų | 31 | 17% | 0.171 | 17% | 0.174 | C | C | . | . | trans | -124.7 | 76.7 | -170 | -71.1 | -89.1 | 0 | 0 | 0 | 111.6 | L445 I446 S447 S451 L452 H453 | L445-N449 PolarHBondContact O-ND2 3.47Å; I446-N449 PolarHBondContact O-N 3.19Å; S447-N449 VanDerWaalsContact C-N 3.34Å; N449-S451 VanDerWaalsContact C-N 3.26Å; N449-S451 PolarHBondContact O-N 3.46Å; N449-S451 VanDerWaalsContact O-N 3.12Å; N449-L452 HydrophobicContact CB-CB 4.3Å; N449-L452 HydrophobicContact CB-CD1 3.94Å; N449-L452 HydrophobicContact CB-CG 4.16Å; N449-L452 WeakPolarHBondContact O-CB 3.34Å; N449-L452 PolarHBondContact O-N 2.87Å; N449-H453 PolarHBondContact O-CD2 2.95Å; N449-H453 VanDerWaalsContact O-CD2 3.23Å | ||
| 450 | H | 86.1 | Confident | 89.6 | Confident | 127 Ų | 127 | 29.8 Ų | 29.8 | 59% | 0.588 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -48 | -41.4 | -178 | -59 | -45.7 | 0 | 0 | 0 | 114.8 | L452 H453 | H450-L452 PolarHBondContact O-N 3.44Å; H450-H453 AromaticContact ND1-CE1 3.25Å; H450-H453 PolarHBondContact ND1-CE1 2.95Å; H450-H453 AromaticContact ND1-NE2 3.59Å; H450-H453 WeakPolarHBondContact O-CB 3.39Å; H450-H453 PolarHBondContact O-N 3.4Å; H450-H453 VanDerWaalsContact O-N 3.13Å |
| 451 | S | 86.2 | Confident | 89.6 | Confident | 110 Ų | 110 | 28.4 Ų | 28.4 | 77% | 0.769 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | -65.6 | -15.4 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | N449 | N449-S451 VanDerWaalsContact C-N 3.26Å; N449-S451 PolarHBondContact O-N 3.46Å; N449-S451 VanDerWaalsContact O-N 3.12Å |
| 452 | L | 87.3 | Confident | 89.6 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -98.6 | -6 | 176.8 | -59.3 | -179.2 | 0 | 0 | 0 | 113 | K416 R417 V420 N449 H450 A454 Y455 A456 | K416-L452 HydrophobicContact CB-CD1 4.24Å; R417-L452 HydrophobicContact CB-CD1 4.37Å; R417-L452 HydrophobicContact CB-CD2 3.95Å; R417-L452 HydrophobicContact CG-CD2 4.02Å; V420-L452 HydrophobicContact CG2-CD1 4.16Å; N449-L452 HydrophobicContact CB-CB 4.3Å; N449-L452 HydrophobicContact CB-CD1 3.94Å; N449-L452 HydrophobicContact CB-CG 4.16Å; N449-L452 WeakPolarHBondContact O-CB 3.34Å; N449-L452 PolarHBondContact O-N 2.87Å; H450-L452 PolarHBondContact O-N 3.44Å; L452-A454 PolarHBondContact O-N 3.22Å; L452-Y455 PolarHBondContact O-N 3.43Å; L452-A456 WeakPolarHBondContact O-CB 3.31Å; L452-A456 PolarHBondContact O-N 2.93Å |
| 453 | H | 89.8 | Confident | 89.4 | Confident | 16 Ų | 16 | 31.1 Ų | 31.1 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.8 | -52.1 | -174.1 | -70.8 | -171.8 | 0 | 0 | 0 | 112.7 | I446 N449 H450 T457 Y484 L487 | I446-H453 PolarHBondContact O-CD2 3.09Å; I446-H453 PolarHBondContact O-NE2 2.79Å; N449-H453 PolarHBondContact O-CD2 2.95Å; N449-H453 VanDerWaalsContact O-CD2 3.23Å; H450-H453 AromaticContact ND1-CE1 3.25Å; H450-H453 PolarHBondContact ND1-CE1 2.95Å; H450-H453 AromaticContact ND1-NE2 3.59Å; H450-H453 WeakPolarHBondContact O-CB 3.39Å; H450-H453 PolarHBondContact O-N 3.4Å; H450-H453 VanDerWaalsContact O-N 3.13Å; H453-T457 VanDerWaalsContact O-CB 3.27Å; H453-T457 WeakPolarHBondContact O-CB 3.3Å; H453-T457 PolarHBondContact O-N 3.44Å; H453-T457 PolarHBondContact O-OG1 2.92Å; H453-Y484 HydrophobicContact CB-CD1 4.28Å; H453-Y484 HydrophobicContact CB-CD2 4.07Å; H453-Y484 HydrophobicContact CB-CE2 4.37Å; H453-Y484 HydrophobicContact CB-CG 4.04Å; H453-Y484 AromaticContact CD2-CZ 3.96Å; H453-Y484 AromaticContact CE1-CE1 3.33Å; H453-Y484 WeakPolarHBondContact CE1-CE1 3.1Å; H453-Y484 AromaticContact CE1-CZ 3.29Å; H453-Y484 PolarHBondContact CE1-OH 3.08Å; H453-Y484 VanDerWaalsContact CE1-OH 3.29Å; H453-Y484 AromaticContact CG-CE1 3.92Å; H453-Y484 AromaticContact CG-CE2 3.9Å; H453-Y484 AromaticContact CG-CZ 3.83Å; H453-Y484 AromaticContact ND1-CD1 3.54Å; H453-Y484 AromaticContact ND1-CE1 3.17Å; H453-Y484 WeakPolarHBondContact ND1-CE1 3.45Å; H453-Y484 AromaticContact ND1-CE2 3.98Å; H453-Y484 AromaticContact ND1-CZ 3.43Å; H453-Y484 AromaticContact NE2-CZ 3.67Å; H453-Y484 PolarHBondContact NE2-OH 3.4Å; H453-L487 HydrophobicContact CB-CD1 3.85Å |
| 454 | A | 86.3 | Confident | 89.4 | Confident | 24 Ų | 24 | 30.4 Ų | 30.4 | 20% | 0.198 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -51.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L452 T457 V458 L487 I497 | L452-A454 PolarHBondContact O-N 3.22Å; A454-T457 PolarHBondContact O-N 2.95Å; A454-V458 WeakPolarHBondContact O-CG2 3.38Å; A454-V458 PolarHBondContact O-N 3.06Å; A454-L487 HydrophobicContact CB-CB 4.08Å; A454-L487 HydrophobicContact CB-CD1 4.2Å; A454-I497 HydrophobicContact CB-CD1 4.31Å |
| 455 | Y | 88.1 | Confident | 89.3 | Confident | 38 Ų | 38 | 33.1 Ų | 33.1 | 15% | 0.149 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.3 | -52 | 179.1 | 174.7 | -104.7 | 0 | 0 | 0 | 112.8 | R417 D421 M424 L452 T457 V458 Q459 | R417-Y455 HydrophobicContact CG-CE1 4.21Å; D421-Y455 VanDerWaalsContact OD1-CE1 3.29Å; D421-Y455 WeakPolarHBondContact OD1-CE1 3.27Å; D421-Y455 PolarHBondContact OD1-OH 3.36Å; D421-Y455 VanDerWaalsContact OD1-OH 3.05Å; M424-Y455 HydrophobicContact CE-CE1 4.36Å; L452-Y455 PolarHBondContact O-N 3.43Å; Y455-T457 VanDerWaalsContact C-N 3.31Å; Y455-T457 PolarHBondContact O-N 3.03Å; Y455-V458 PolarHBondContact O-N 2.71Å; Y455-Q459 HydrophobicContact CD2-CG 4.11Å; Y455-Q459 HydrophobicContact CE1-CG 4.13Å; Y455-Q459 HydrophobicContact CE2-CG 3.67Å; Y455-Q459 WeakPolarHBondContact O-CB 3.47Å; Y455-Q459 WeakPolarHBondContact O-CG 3.49Å; Y455-Q459 PolarHBondContact O-N 2.93Å; Y455-Q459 PolarHBondContact OH-NE2 3.39Å; Y455-Q459 VanDerWaalsContact OH-NE2 3.09Å |
| 456 | A | 89.5 | Confident | 89 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -38.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V420 I446 L452 Q459 L460 | V420-A456 HydrophobicContact CG1-CB 4.3Å; I446-A456 HydrophobicContact CD1-CB 4.21Å; I446-A456 HydrophobicContact CG1-CB 4.34Å; I446-A456 HydrophobicContact CG2-CB 4.31Å; L452-A456 WeakPolarHBondContact O-CB 3.31Å; L452-A456 PolarHBondContact O-N 2.93Å; A456-Q459 PolarHBondContact O-N 3.25Å; A456-L460 VanDerWaalsContact O-CB 3.23Å; A456-L460 WeakPolarHBondContact O-CB 3.48Å; A456-L460 WeakPolarHBondContact O-CG 3.47Å; A456-L460 PolarHBondContact O-N 3.37Å |
| 457 | T | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -42.6 | 179.7 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | H453 A454 Y455 F461 I481 L488 | H453-T457 VanDerWaalsContact O-CB 3.27Å; H453-T457 WeakPolarHBondContact O-CB 3.3Å; H453-T457 PolarHBondContact O-N 3.44Å; H453-T457 PolarHBondContact O-OG1 2.92Å; A454-T457 PolarHBondContact O-N 2.95Å; Y455-T457 VanDerWaalsContact C-N 3.31Å; Y455-T457 PolarHBondContact O-N 3.03Å; T457-F461 VanDerWaalsContact O-CB 3.24Å; T457-F461 WeakPolarHBondContact O-CB 3.41Å; T457-F461 PolarHBondContact O-N 2.9Å; T457-I481 HydrophobicContact CG2-CG1 4.15Å; T457-L488 HydrophobicContact CG2-CB 4.16Å; T457-L488 HydrophobicContact CG2-CD2 4.08Å |
| 458 | V | 89.2 | Confident | 88.6 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | A454 Y455 F461 N462 L488 I497 | A454-V458 WeakPolarHBondContact O-CG2 3.38Å; A454-V458 PolarHBondContact O-N 3.06Å; Y455-V458 PolarHBondContact O-N 2.71Å; V458-F461 PolarHBondContact O-N 3.02Å; V458-N462 PolarHBondContact O-N 2.95Å; V458-N462 PolarHBondContact O-ND2 2.84Å; V458-L488 HydrophobicContact CB-CD1 4.2Å; V458-L488 HydrophobicContact CG2-CD1 3.57Å; V458-I497 HydrophobicContact CG2-CD1 4.39Å; V458-I497 HydrophobicContact CG2-CG1 4.49Å; V458-I497 HydrophobicContact CG2-CG2 3.98Å |
| 459 | Q | 89 | Confident | 88.6 | Confident | 72 Ų | 72 | 38 Ų | 38 | 34% | 0.336 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68 | -41.5 | -176.7 | -66.5 | -74.6 | 66.2 | 0 | 0 | 112.6 | M424 Y455 A456 N462 A463 | M424-Q459 HydrophobicContact CE-CB 3.83Å; M424-Q459 HydrophobicContact CE-CG 4.34Å; M424-Q459 HydrophobicContact SD-CB 3.93Å; Y455-Q459 HydrophobicContact CD2-CG 4.11Å; Y455-Q459 HydrophobicContact CE1-CG 4.13Å; Y455-Q459 HydrophobicContact CE2-CG 3.67Å; Y455-Q459 WeakPolarHBondContact O-CB 3.47Å; Y455-Q459 WeakPolarHBondContact O-CG 3.49Å; Y455-Q459 PolarHBondContact O-N 2.93Å; Y455-Q459 PolarHBondContact OH-NE2 3.39Å; Y455-Q459 VanDerWaalsContact OH-NE2 3.09Å; A456-Q459 PolarHBondContact O-N 3.25Å; Q459-N462 PolarHBondContact O-N 3.14Å; Q459-A463 VanDerWaalsContact O-CB 3.28Å; Q459-A463 WeakPolarHBondContact O-CB 3.35Å; Q459-A463 PolarHBondContact O-N 2.96Å |
| 460 | L | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.6 | -37.1 | 176.4 | -78.1 | 164.5 | 0 | 0 | 0 | 112.4 | M424 I446 A456 A463 M464 L473 V476 A477 T480 | M424-L460 HydrophobicContact CG-CD2 3.98Å; M424-L460 HydrophobicContact CG-CG 4.24Å; M424-L460 HydrophobicContact SD-CD1 4.39Å; M424-L460 HydrophobicContact SD-CD2 4.12Å; M424-L460 HydrophobicContact SD-CG 3.75Å; I446-L460 HydrophobicContact CD1-CD1 3.84Å; A456-L460 VanDerWaalsContact O-CB 3.23Å; A456-L460 WeakPolarHBondContact O-CB 3.48Å; A456-L460 WeakPolarHBondContact O-CG 3.47Å; A456-L460 PolarHBondContact O-N 3.37Å; L460-A463 PolarHBondContact O-N 2.83Å; L460-M464 WeakPolarHBondContact O-CB 3.27Å; L460-M464 PolarHBondContact O-N 2.92Å; L460-L473 HydrophobicContact CD2-CD1 3.99Å; L460-V476 HydrophobicContact CD1-CG1 3.85Å; L460-V476 HydrophobicContact CD2-CG1 4.21Å; L460-A477 HydrophobicContact CB-CB 3.91Å; L460-A477 HydrophobicContact CD2-CB 4.46Å; L460-T480 HydrophobicContact CD1-CG2 3.54Å; L460-T480 WeakPolarHBondContact CD1-OG1 3.27Å |
| 461 | F | 91 | Very high | 89 | Confident | 10 Ų | 10 | 32.4 Ų | 32.4 | 4% | 0.044 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -48.6 | 172.3 | 173.9 | -100.4 | 0 | 0 | 0 | 111.5 | T457 V458 M464 N465 I481 L488 V501 L506 V509 | T457-F461 VanDerWaalsContact O-CB 3.24Å; T457-F461 WeakPolarHBondContact O-CB 3.41Å; T457-F461 PolarHBondContact O-N 2.9Å; V458-F461 PolarHBondContact O-N 3.02Å; F461-M464 HydrophobicContact CD2-CE 4.3Å; F461-M464 PolarHBondContact O-N 3.06Å; F461-N465 WeakPolarHBondContact O-CB 3.42Å; F461-N465 PolarHBondContact O-N 3Å; F461-I481 HydrophobicContact CB-CD1 4.19Å; F461-I481 HydrophobicContact CD2-CD1 3.89Å; F461-L488 HydrophobicContact CB-CD2 3.84Å; F461-L488 HydrophobicContact CD1-CD2 4.46Å; F461-L488 HydrophobicContact CD2-CD2 4.14Å; F461-L488 HydrophobicContact CG-CD2 3.89Å; F461-V501 HydrophobicContact CD1-CG1 4.33Å; F461-V501 HydrophobicContact CD1-CG2 3.85Å; F461-V501 HydrophobicContact CE1-CB 4.25Å; F461-V501 HydrophobicContact CE1-CG1 3.56Å; F461-V501 HydrophobicContact CE1-CG2 3.65Å; F461-V501 HydrophobicContact CE2-CG1 4.35Å; F461-V501 HydrophobicContact CZ-CG1 3.56Å; F461-V501 HydrophobicContact CZ-CG2 4.49Å; F461-L506 HydrophobicContact CD2-CD1 4.24Å; F461-L506 HydrophobicContact CD2-CG 4.32Å; F461-L506 HydrophobicContact CE2-CB 4.14Å; F461-L506 HydrophobicContact CE2-CD1 4.26Å; F461-L506 HydrophobicContact CE2-CG 3.94Å; F461-V509 HydrophobicContact CE2-CB 3.85Å; F461-V509 HydrophobicContact CE2-CG1 4.23Å; F461-V509 HydrophobicContact CE2-CG2 3.47Å; F461-V509 VanDerWaalsContact CE2-CG2 3.47Å; F461-V509 HydrophobicContact CZ-CB 4.33Å; F461-V509 HydrophobicContact CZ-CG2 3.44Å; F461-V509 VanDerWaalsContact CZ-CG2 3.44Å |
| 462 | N | 90.2 | Very high | 89.4 | Confident | 77 Ų | 77 | 28.1 Ų | 28.1 | 41% | 0.412 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.4 | -71.6 | -29.4 | 0 | 0 | 0 | 112 | V458 Q459 N465 G466 | V458-N462 PolarHBondContact O-N 2.95Å; V458-N462 PolarHBondContact O-ND2 2.84Å; Q459-N462 PolarHBondContact O-N 3.14Å; N462-N465 PolarHBondContact O-N 2.96Å; N462-G466 PolarHBondContact O-N 2.83Å; N462-G466 VanDerWaalsContact O-N 3.16Å |
| 463 | A | 89.8 | Confident | 89.7 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 17% | 0.165 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q459 L460 N465 G466 A467 L473 | Q459-A463 VanDerWaalsContact O-CB 3.28Å; Q459-A463 WeakPolarHBondContact O-CB 3.35Å; Q459-A463 PolarHBondContact O-N 2.96Å; L460-A463 PolarHBondContact O-N 2.83Å; A463-N465 PolarHBondContact O-N 3.37Å; A463-G466 PolarHBondContact O-N 2.8Å; A463-A467 PolarHBondContact O-N 2.84Å; A463-L473 HydrophobicContact CB-CD1 4.08Å; A463-L473 HydrophobicContact CB-CD2 4.1Å |
| 464 | M | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 175.3 | 179.2 | 178.3 | 66.9 | 0 | 0 | 111.7 | L460 F461 G466 A467 M468 V474 A477 I481 V509 L510 | L460-M464 WeakPolarHBondContact O-CB 3.27Å; L460-M464 PolarHBondContact O-N 2.92Å; F461-M464 HydrophobicContact CD2-CE 4.3Å; F461-M464 PolarHBondContact O-N 3.06Å; M464-G466 VanDerWaalsContact C-N 3.26Å; M464-G466 PolarHBondContact O-N 3.07Å; M464-A467 PolarHBondContact O-N 2.81Å; M464-M468 WeakPolarHBondContact O-CG 3.22Å; M464-M468 PolarHBondContact O-N 3.31Å; M464-V474 HydrophobicContact CG-CB 4.46Å; M464-V474 HydrophobicContact CG-CG1 4.25Å; M464-V474 HydrophobicContact CG-CG2 4.17Å; M464-V474 HydrophobicContact SD-CG1 3.92Å; M464-A477 HydrophobicContact CB-CB 3.72Å; M464-A477 HydrophobicContact CE-CB 4.47Å; M464-A477 HydrophobicContact CG-CB 4.18Å; M464-A477 HydrophobicContact SD-CB 3.74Å; M464-I481 HydrophobicContact CE-CD1 3.49Å; M464-I481 VanDerWaalsContact CE-CD1 3.49Å; M464-V509 HydrophobicContact CE-CG1 3.88Å; M464-L510 HydrophobicContact CE-CD2 4.19Å |
| 465 | N | 88.3 | Confident | 90.2 | Very high | 69 Ų | 69 | 26.5 Ų | 26.5 | 37% | 0.369 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.7 | -32.9 | 177.4 | -171.4 | 34.9 | 0 | 0 | 0 | 112.2 | F461 N462 A463 V509 R512 | F461-N465 WeakPolarHBondContact O-CB 3.42Å; F461-N465 PolarHBondContact O-N 3Å; N462-N465 PolarHBondContact O-N 2.96Å; A463-N465 PolarHBondContact O-N 3.37Å; N465-V509 HydrophobicContact CB-CG1 4.23Å; N465-R512 PolarHBondContact OD1-NH1 2.79Å; N465-R512 PolarHBondContact OD1-NH2 2.9Å |
| 466 | G | 85.6 | Confident | 90.5 | Very high | 72 Ų | 72 | 24.7 Ų | 24.7 | 74% | 0.742 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -82.1 | -30.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N462 A463 M464 | N462-G466 PolarHBondContact O-N 2.83Å; N462-G466 VanDerWaalsContact O-N 3.16Å; A463-G466 PolarHBondContact O-N 2.8Å; M464-G466 VanDerWaalsContact C-N 3.26Å; M464-G466 PolarHBondContact O-N 3.07Å |
| 467 | A | 86.7 | Confident | 90.7 | Very high | 15 Ų | 15 | 24.7 Ų | 24.7 | 12% | 0.124 | 16% | 0.155 | C | C | . | . | trans | -134.7 | 46.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T428 A463 M464 S469 Q470 L473 | T428-A467 HydrophobicContact CG2-CB 4.26Å; A463-A467 PolarHBondContact O-N 2.84Å; M464-A467 PolarHBondContact O-N 2.81Å; A467-S469 PolarHBondContact O-N 3.11Å; A467-Q470 HydrophobicContact CB-CG 4.35Å; A467-Q470 PolarHBondContact O-N 3.23Å; A467-L473 HydrophobicContact CB-CD2 3.82Å | ||
| 468 | M | 87.1 | Confident | 90.8 | Very high | 29 Ų | 29 | 24.7 Ų | 24.7 | 14% | 0.143 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -7.4 | 177.9 | -66 | -168.6 | 175.7 | 0 | 0 | 116.1 | M464 Q471 V509 R512 A513 T518 | M464-M468 WeakPolarHBondContact O-CG 3.22Å; M464-M468 PolarHBondContact O-N 3.31Å; M468-Q471 PolarHBondContact O-NE2 3.37Å; M468-V509 HydrophobicContact CE-CG1 3.38Å; M468-R512 HydrophobicContact CE-CB 4.02Å; M468-R512 HydrophobicContact SD-CB 4.18Å; M468-A513 HydrophobicContact CE-CB 4.49Å; M468-T518 PolarHBondContact O-OG1 3.49Å; M468-T518 VanDerWaalsContact O-OG1 3.06Å |
| 469 | S | 88.4 | Confident | 91.1 | Very high | 63 Ų | 63 | 25.4 Ų | 25.4 | 44% | 0.441 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -24.6 | 171.7 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | N432 A467 Q471 | N432-S469 PolarHBondContact ND2-O 2.85Å; A467-S469 PolarHBondContact O-N 3.11Å; S469-Q471 PolarHBondContact O-N 2.89Å |
| 470 | Q | 92.3 | Very high | 91.2 | Very high | 26 Ų | 26 | 22 Ų | 22 | 12% | 0.121 | 14% | 0.141 | C | C | . | . | trans | -86.6 | 99.7 | -177.4 | -58 | -65.6 | -4.7 | 0 | 0 | 110.4 | L427 T429 G431 N432 A467 L473 V474 | L427-Q470 WeakPolarHBondContact O-CB 3.25Å; L427-Q470 WeakPolarHBondContact O-CG 3.48Å; T429-Q470 PolarHBondContact O-NE2 2.96Å; G431-Q470 VanDerWaalsContact N-OE1 3.1Å; N432-Q470 WeakPolarHBondContact OD1-CA 3.2Å; A467-Q470 HydrophobicContact CB-CG 4.35Å; A467-Q470 PolarHBondContact O-N 3.23Å; Q470-L473 HydrophobicContact CB-CB 3.85Å; Q470-L473 HydrophobicContact CB-CD2 4.44Å; Q470-L473 WeakPolarHBondContact O-CB 3.48Å; Q470-L473 PolarHBondContact O-N 3.31Å; Q470-V474 WeakPolarHBondContact O-CG2 3.47Å; Q470-V474 PolarHBondContact O-N 3.2Å; Q470-V474 VanDerWaalsContact O-N 3.11Å | ||
| 471 | Q | 91.8 | Very high | 91.2 | Very high | 14 Ų | 14 | 22 Ų | 22 | 7% | 0.065 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | -170.7 | -61 | -61.2 | -62.6 | 0 | 0 | 112.9 | N432 M468 S469 L473 V474 Q475 T518 S519 T520 T523 | N432-Q471 PolarHBondContact OD1-N 2.85Å; M468-Q471 PolarHBondContact O-NE2 3.37Å; S469-Q471 PolarHBondContact O-N 2.89Å; Q471-L473 VanDerWaalsContact C-N 3.27Å; Q471-L473 PolarHBondContact O-N 2.94Å; Q471-V474 PolarHBondContact O-N 3.28Å; Q471-Q475 WeakPolarHBondContact O-CB 3.36Å; Q471-Q475 VanDerWaalsContact O-CG 3.23Å; Q471-Q475 WeakPolarHBondContact O-CG 3.43Å; Q471-Q475 PolarHBondContact O-N 3.39Å; Q471-T518 PolarHBondContact NE2-O 3.07Å; Q471-T518 VanDerWaalsContact NE2-O 3.11Å; Q471-T518 PolarHBondContact OE1-O 3.44Å; Q471-S519 VanDerWaalsContact OE1-CA 3.31Å; Q471-T520 HydrophobicContact CG-CG2 3.89Å; Q471-T523 VanDerWaalsContact OE1-CB 3.27Å; Q471-T523 PolarHBondContact OE1-OG1 2.95Å |
| 472 | P | 93 | Very high | 91.2 | Very high | 21 Ų | 21 | 21.6 Ų | 21.6 | 14% | 0.136 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.1 | -33.4 | 173.8 | -34.4 | 45 | 0 | 0 | 0 | 114.7 | L427 G431 V439 V476 | L427-P472 HydrophobicContact CD2-CB 3.95Å; G431-P472 WeakPolarHBondContact O-CG 3.46Å; V439-P472 HydrophobicContact CG2-CB 3.62Å; V439-P472 HydrophobicContact CG2-CG 4.35Å; P472-V476 WeakPolarHBondContact O-CG2 3.23Å; P472-V476 PolarHBondContact O-N 2.88Å; P472-V476 VanDerWaalsContact O-N 3.08Å |
| 473 | L | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.8 | -50.1 | 174.8 | -179.5 | 74.6 | 0 | 0 | 0 | 111.1 | L427 L460 A463 A467 Q470 Q471 Q475 V476 A477 | L427-L473 HydrophobicContact CB-CB 4.11Å; L427-L473 HydrophobicContact CB-CD1 3.97Å; L460-L473 HydrophobicContact CD2-CD1 3.99Å; A463-L473 HydrophobicContact CB-CD1 4.08Å; A463-L473 HydrophobicContact CB-CD2 4.1Å; A467-L473 HydrophobicContact CB-CD2 3.82Å; Q470-L473 HydrophobicContact CB-CB 3.85Å; Q470-L473 HydrophobicContact CB-CD2 4.44Å; Q470-L473 WeakPolarHBondContact O-CB 3.48Å; Q470-L473 PolarHBondContact O-N 3.31Å; Q471-L473 VanDerWaalsContact C-N 3.27Å; Q471-L473 PolarHBondContact O-N 2.94Å; L473-Q475 PolarHBondContact O-N 2.75Å; L473-V476 PolarHBondContact O-N 2.84Å; L473-A477 VanDerWaalsContact O-CB 3.28Å; L473-A477 WeakPolarHBondContact O-CB 3.35Å; L473-A477 PolarHBondContact O-N 3.25Å |
| 474 | V | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 179 | -178.2 | 0 | 0 | 0 | 0 | 110 | M464 Q470 Q471 A477 C478 A513 T523 | M464-V474 HydrophobicContact CG-CB 4.46Å; M464-V474 HydrophobicContact CG-CG1 4.25Å; M464-V474 HydrophobicContact CG-CG2 4.17Å; M464-V474 HydrophobicContact SD-CG1 3.92Å; Q470-V474 WeakPolarHBondContact O-CG2 3.47Å; Q470-V474 PolarHBondContact O-N 3.2Å; Q470-V474 VanDerWaalsContact O-N 3.11Å; Q471-V474 PolarHBondContact O-N 3.28Å; V474-A477 PolarHBondContact O-N 3.44Å; V474-C478 VanDerWaalsContact O-CB 3.26Å; V474-C478 WeakPolarHBondContact O-CB 3.32Å; V474-C478 PolarHBondContact O-N 3.33Å; V474-C478 PolarHBondContact O-SG 3.45Å; V474-A513 HydrophobicContact CG1-CB 4.37Å; V474-T523 HydrophobicContact CB-CG2 3.82Å; V474-T523 HydrophobicContact CG1-CG2 3.37Å |
| 475 | Q | 93.8 | Very high | 90.6 | Very high | 21 Ų | 21 | 18 Ų | 18 | 10% | 0.098 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.9 | -53.7 | 176.8 | -71.7 | 171.7 | 2.3 | 0 | 0 | 112.4 | Q471 L473 A477 C478 W479 T523 M526 | Q471-Q475 WeakPolarHBondContact O-CB 3.36Å; Q471-Q475 VanDerWaalsContact O-CG 3.23Å; Q471-Q475 WeakPolarHBondContact O-CG 3.43Å; Q471-Q475 PolarHBondContact O-N 3.39Å; L473-Q475 PolarHBondContact O-N 2.75Å; Q475-A477 VanDerWaalsContact C-N 3.32Å; Q475-A477 PolarHBondContact O-N 2.92Å; Q475-C478 PolarHBondContact O-N 2.87Å; Q475-W479 PolarHBondContact O-N 2.94Å; Q475-T523 HydrophobicContact CG-CG2 4.39Å; Q475-T523 PolarHBondContact NE2-OG1 3.29Å; Q475-T523 VanDerWaalsContact NE2-OG1 3.09Å; Q475-M526 HydrophobicContact CB-CE 3.96Å; Q475-M526 HydrophobicContact CB-SD 3.54Å; Q475-M526 VanDerWaalsContact CB-SD 3.54Å; Q475-M526 HydrophobicContact CG-SD 3.57Å; Q475-M526 VanDerWaalsContact CG-SD 3.57Å; Q475-M526 WeakPolarHBondContact O-CE 3.35Å |
| 476 | V | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 177.9 | 180 | 0 | 0 | 0 | 0 | 111 | L427 V439 L442 V443 I446 L460 P472 L473 W479 T480 | L427-V476 HydrophobicContact CD1-CG2 3.98Å; V439-V476 HydrophobicContact CB-CG2 4.37Å; V439-V476 HydrophobicContact CG1-CG2 3.89Å; V439-V476 HydrophobicContact CG2-CG2 4.42Å; L442-V476 HydrophobicContact CD2-CG1 3.91Å; L442-V476 HydrophobicContact CD2-CG2 4.36Å; L442-V476 HydrophobicContact CG-CG1 4.06Å; V443-V476 HydrophobicContact CG2-CG1 4.39Å; V443-V476 HydrophobicContact CG2-CG2 4.31Å; I446-V476 HydrophobicContact CD1-CG1 4.26Å; L460-V476 HydrophobicContact CD1-CG1 3.85Å; L460-V476 HydrophobicContact CD2-CG1 4.21Å; P472-V476 WeakPolarHBondContact O-CG2 3.23Å; P472-V476 PolarHBondContact O-N 2.88Å; P472-V476 VanDerWaalsContact O-N 3.08Å; L473-V476 PolarHBondContact O-N 2.84Å; V476-W479 PolarHBondContact O-N 3.16Å; V476-T480 PolarHBondContact O-N 3.08Å; V476-T480 PolarHBondContact O-OG1 3.32Å |
| 477 | A | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L460 M464 L473 V474 Q475 W479 T480 I481 | L460-A477 HydrophobicContact CB-CB 3.91Å; L460-A477 HydrophobicContact CD2-CB 4.46Å; M464-A477 HydrophobicContact CB-CB 3.72Å; M464-A477 HydrophobicContact CE-CB 4.47Å; M464-A477 HydrophobicContact CG-CB 4.18Å; M464-A477 HydrophobicContact SD-CB 3.74Å; L473-A477 VanDerWaalsContact O-CB 3.28Å; L473-A477 WeakPolarHBondContact O-CB 3.35Å; L473-A477 PolarHBondContact O-N 3.25Å; V474-A477 PolarHBondContact O-N 3.44Å; Q475-A477 VanDerWaalsContact C-N 3.32Å; Q475-A477 PolarHBondContact O-N 2.92Å; A477-W479 VanDerWaalsContact C-N 3.32Å; A477-W479 PolarHBondContact O-N 2.82Å; A477-T480 WeakPolarHBondContact CA-OG1 3.11Å; A477-T480 PolarHBondContact O-N 3.37Å; A477-T480 PolarHBondContact O-OG1 3.49Å; A477-I481 WeakPolarHBondContact O-CB 3.19Å; A477-I481 WeakPolarHBondContact O-CD1 3.49Å; A477-I481 WeakPolarHBondContact O-CG1 3.3Å; A477-I481 PolarHBondContact O-N 2.99Å |
| 478 | C | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 174.6 | -75.9 | 0 | 0 | 0 | 0 | 111.9 | V474 Q475 G482 M526 V527 T530 | V474-C478 VanDerWaalsContact O-CB 3.26Å; V474-C478 WeakPolarHBondContact O-CB 3.32Å; V474-C478 PolarHBondContact O-N 3.33Å; V474-C478 PolarHBondContact O-SG 3.45Å; Q475-C478 PolarHBondContact O-N 2.87Å; C478-G482 PolarHBondContact O-N 3.43Å; C478-M526 HydrophobicContact CB-CB 4.28Å; C478-V527 WeakPolarHBondContact SG-CG2 3.06Å; C478-T530 VanDerWaalsContact C-OG1 3.22Å; C478-T530 WeakPolarHBondContact CA-OG1 3.38Å; C478-T530 WeakPolarHBondContact CB-OG1 3.38Å; C478-T530 WeakPolarHBondContact O-CG2 3.4Å; C478-T530 PolarHBondContact O-OG1 3.23Å |
| 479 | W | 93.9 | Very high | 89 | Confident | 24 Ų | 24 | 15.9 Ų | 15.9 | 9% | 0.091 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.5 | -54.1 | 174.7 | 177.4 | 76.2 | 0 | 0 | 0 | 111.4 | V443 I446 Q475 V476 A477 I481 G482 E483 Y484 M526 | V443-W479 HydrophobicContact CB-CD2 4.42Å; V443-W479 HydrophobicContact CB-CE3 4.2Å; V443-W479 HydrophobicContact CB-CZ3 4.34Å; V443-W479 HydrophobicContact CG1-CD2 3.76Å; V443-W479 HydrophobicContact CG1-CE3 3.9Å; V443-W479 HydrophobicContact CG1-CG 4.47Å; V443-W479 HydrophobicContact CG1-CH2 3.94Å; V443-W479 HydrophobicContact CG1-CZ2 3.76Å; V443-W479 HydrophobicContact CG1-CZ3 3.99Å; V443-W479 HydrophobicContact CG2-CD2 3.96Å; V443-W479 HydrophobicContact CG2-CE3 3.77Å; V443-W479 HydrophobicContact CG2-CG 4.31Å; V443-W479 HydrophobicContact CG2-CZ3 4.37Å; I446-W479 HydrophobicContact CB-CZ3 4.15Å; I446-W479 HydrophobicContact CG2-CZ3 4.05Å; Q475-W479 PolarHBondContact O-N 2.94Å; V476-W479 PolarHBondContact O-N 3.16Å; A477-W479 VanDerWaalsContact C-N 3.32Å; A477-W479 PolarHBondContact O-N 2.82Å; W479-I481 VanDerWaalsContact C-N 3.31Å; W479-I481 PolarHBondContact O-N 3.31Å; W479-G482 WeakPolarHBondContact O-CA 3.29Å; W479-G482 PolarHBondContact O-N 3.37Å; W479-E483 HydrophobicContact CD2-CG 4.12Å; W479-E483 VanDerWaalsContact CE2-CG 3.47Å; W479-E483 HydrophobicContact CG-CG 4.46Å; W479-E483 HydrophobicContact CH2-CG 4.41Å; W479-E483 HydrophobicContact CZ2-CG 3.66Å; W479-E483 PolarHBondContact NE1-OE1 2.91Å; W479-E483 PolarHBondContact O-N 3.16Å; W479-Y484 HydrophobicContact CH2-CE2 4.01Å; W479-Y484 HydrophobicContact CZ3-CE2 4.19Å; W479-M526 HydrophobicContact CB-CE 3.98Å |
| 480 | T | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.5 | -38.8 | 179.8 | 47.1 | 0 | 0 | 0 | 0 | 113.3 | I446 L460 V476 A477 G482 E483 Y484 | I446-T480 HydrophobicContact CD1-CG2 3.96Å; I446-T480 HydrophobicContact CG2-CG2 4.07Å; L460-T480 HydrophobicContact CD1-CG2 3.54Å; L460-T480 WeakPolarHBondContact CD1-OG1 3.27Å; V476-T480 PolarHBondContact O-N 3.08Å; V476-T480 PolarHBondContact O-OG1 3.32Å; A477-T480 WeakPolarHBondContact CA-OG1 3.11Å; A477-T480 PolarHBondContact O-N 3.37Å; A477-T480 PolarHBondContact O-OG1 3.49Å; T480-G482 VanDerWaalsContact C-N 3.29Å; T480-G482 PolarHBondContact O-N 3.21Å; T480-E483 PolarHBondContact O-N 2.77Å; T480-Y484 WeakPolarHBondContact O-CB 3.12Å; T480-Y484 PolarHBondContact O-N 3.3Å |
| 481 | I | 91.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.5 | -31.7 | 176.4 | -69 | 163.2 | 0 | 0 | 0 | 111.2 | T457 F461 M464 A477 W479 G485 L488 L506 T530 L534 | T457-I481 HydrophobicContact CG2-CG1 4.15Å; F461-I481 HydrophobicContact CB-CD1 4.19Å; F461-I481 HydrophobicContact CD2-CD1 3.89Å; M464-I481 HydrophobicContact CE-CD1 3.49Å; M464-I481 VanDerWaalsContact CE-CD1 3.49Å; A477-I481 WeakPolarHBondContact O-CB 3.19Å; A477-I481 WeakPolarHBondContact O-CD1 3.49Å; A477-I481 WeakPolarHBondContact O-CG1 3.3Å; A477-I481 PolarHBondContact O-N 2.99Å; W479-I481 VanDerWaalsContact C-N 3.31Å; W479-I481 PolarHBondContact O-N 3.31Å; I481-G485 WeakPolarHBondContact O-CA 3.28Å; I481-G485 PolarHBondContact O-N 3.46Å; I481-L488 HydrophobicContact CG1-CD2 4.43Å; I481-L506 HydrophobicContact CG2-CD1 3.81Å; I481-L506 HydrophobicContact CG2-CD2 3.83Å; I481-L506 HydrophobicContact CG2-CG 4.24Å; I481-T530 HydrophobicContact CB-CG2 4.03Å; I481-T530 HydrophobicContact CG2-CG2 3.62Å; I481-L534 HydrophobicContact CG2-CD1 4.29Å; I481-L534 HydrophobicContact CG2-CD2 4.33Å |
| 482 | G | 90.3 | Very high | 85 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -74.2 | -37.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C478 W479 T480 K533 R537 | C478-G482 PolarHBondContact O-N 3.43Å; W479-G482 WeakPolarHBondContact O-CA 3.29Å; W479-G482 PolarHBondContact O-N 3.37Å; T480-G482 VanDerWaalsContact C-N 3.29Å; T480-G482 PolarHBondContact O-N 3.21Å; G482-K533 WeakPolarHBondContact O-CB 3.32Å; G482-K533 WeakPolarHBondContact O-CD 3.28Å; G482-R537 PolarHBondContact O-NE 2.83Å |
| 483 | E | 88.4 | Confident | 83.1 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -81.6 | -34.3 | 177.7 | -55.3 | -54.4 | 153 | 0 | 0 | 113.2 | W479 T480 K533 R537 C585 M586 | W479-E483 HydrophobicContact CD2-CG 4.12Å; W479-E483 VanDerWaalsContact CE2-CG 3.47Å; W479-E483 HydrophobicContact CG-CG 4.46Å; W479-E483 HydrophobicContact CH2-CG 4.41Å; W479-E483 HydrophobicContact CZ2-CG 3.66Å; W479-E483 PolarHBondContact NE1-OE1 2.91Å; W479-E483 PolarHBondContact O-N 3.16Å; T480-E483 PolarHBondContact O-N 2.77Å; E483-K533 IonicContact OE1-NZ 2.66Å; E483-K533 PolarHBondContact OE1-NZ 2.96Å; E483-K533 IonicContact OE2-NZ 3.86Å; E483-K533 PolarHBondContact OE2-NZ 3.26Å; E483-R537 PolarHBondContact O-NE 2.91Å; E483-R537 PolarHBondContact O-NH1 3.37Å; E483-R537 VanDerWaalsContact O-NH1 3.1Å; E483-R537 PolarHBondContact O-NH2 3.37Å; E483-C585 WeakPolarHBondContact OE2-CA 3.43Å; E483-M586 PolarHBondContact OE2-N 3.18Å |
| 484 | Y | 87.3 | Confident | 81.3 | Confident | 15 Ų | 15 | 32.8 Ų | 32.8 | 6% | 0.059 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -132.3 | 18.9 | -166.9 | -45.1 | -52.2 | 0 | 0 | 0 | 114.2 | I446 H453 W479 T480 D486 L487 | I446-Y484 HydrophobicContact CG2-CE2 4.15Å; H453-Y484 HydrophobicContact CB-CD1 4.28Å; H453-Y484 HydrophobicContact CB-CD2 4.07Å; H453-Y484 HydrophobicContact CB-CE2 4.37Å; H453-Y484 HydrophobicContact CB-CG 4.04Å; H453-Y484 AromaticContact CD2-CZ 3.96Å; H453-Y484 AromaticContact CE1-CE1 3.33Å; H453-Y484 WeakPolarHBondContact CE1-CE1 3.1Å; H453-Y484 AromaticContact CE1-CZ 3.29Å; H453-Y484 PolarHBondContact CE1-OH 3.08Å; H453-Y484 VanDerWaalsContact CE1-OH 3.29Å; H453-Y484 AromaticContact CG-CE1 3.92Å; H453-Y484 AromaticContact CG-CE2 3.9Å; H453-Y484 AromaticContact CG-CZ 3.83Å; H453-Y484 AromaticContact ND1-CD1 3.54Å; H453-Y484 AromaticContact ND1-CE1 3.17Å; H453-Y484 WeakPolarHBondContact ND1-CE1 3.45Å; H453-Y484 AromaticContact ND1-CE2 3.98Å; H453-Y484 AromaticContact ND1-CZ 3.43Å; H453-Y484 AromaticContact NE2-CZ 3.67Å; H453-Y484 PolarHBondContact NE2-OH 3.4Å; W479-Y484 HydrophobicContact CH2-CE2 4.01Å; W479-Y484 HydrophobicContact CZ3-CE2 4.19Å; T480-Y484 WeakPolarHBondContact O-CB 3.12Å; T480-Y484 PolarHBondContact O-N 3.3Å; Y484-D486 PolarHBondContact O-N 3.3Å; Y484-D486 VanDerWaalsContact O-N 3.15Å; Y484-L487 WeakPolarHBondContact O-CB 3.38Å; Y484-L487 PolarHBondContact O-N 3.15Å |
| 485 | G | 83.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -22.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I481 L488 V489 | I481-G485 WeakPolarHBondContact O-CA 3.28Å; I481-G485 PolarHBondContact O-N 3.46Å; G485-L488 PolarHBondContact O-N 2.81Å; G485-V489 PolarHBondContact O-N 2.73Å |
| 486 | D | 82.9 | Confident | 77.5 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 170.7 | 46.3 | -52.4 | 0 | 0 | 0 | 112.5 | Y484 L488 V489 S490 R537 | Y484-D486 PolarHBondContact O-N 3.3Å; Y484-D486 VanDerWaalsContact O-N 3.15Å; D486-L488 PolarHBondContact O-N 3.38Å; D486-V489 PolarHBondContact O-N 3.11Å; D486-S490 PolarHBondContact O-N 3.18Å; D486-R537 HydrophobicContact CB-CB 4.33Å; D486-R537 WeakPolarHBondContact OD1-CD 3.41Å; D486-R537 IonicContact OD1-CZ 2.96Å; D486-R537 IonicContact OD1-NE 3.36Å; D486-R537 IonicContact OD1-NH1 3.88Å; D486-R537 PolarHBondContact OD1-NH1 2.91Å; D486-R537 IonicContact OD2-NH1 3.79Å |
| 487 | L | 80.6 | Confident | 75.9 | Confident | 47 Ų | 47 | 47.5 Ų | 47.5 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.2 | -17 | 177.2 | -54.3 | -178.7 | 0 | 0 | 0 | 113.4 | H453 A454 Y484 P491 | H453-L487 HydrophobicContact CB-CD1 3.85Å; A454-L487 HydrophobicContact CB-CB 4.08Å; A454-L487 HydrophobicContact CB-CD1 4.2Å; Y484-L487 WeakPolarHBondContact O-CB 3.38Å; Y484-L487 PolarHBondContact O-N 3.15Å; L487-P491 WeakPolarHBondContact O-CA 3.42Å |
| 488 | L | 76.7 | Confident | 74.2 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -86.9 | -30.1 | 179.7 | -179.9 | 54.9 | 0 | 0 | 0 | 112.6 | T457 V458 F461 I481 G485 D486 V501 L506 | T457-L488 HydrophobicContact CG2-CB 4.16Å; T457-L488 HydrophobicContact CG2-CD2 4.08Å; V458-L488 HydrophobicContact CB-CD1 4.2Å; V458-L488 HydrophobicContact CG2-CD1 3.57Å; F461-L488 HydrophobicContact CB-CD2 3.84Å; F461-L488 HydrophobicContact CD1-CD2 4.46Å; F461-L488 HydrophobicContact CD2-CD2 4.14Å; F461-L488 HydrophobicContact CG-CD2 3.89Å; I481-L488 HydrophobicContact CG1-CD2 4.43Å; G485-L488 PolarHBondContact O-N 2.81Å; D486-L488 PolarHBondContact O-N 3.38Å; L488-V501 HydrophobicContact CD1-CB 4.1Å; L488-V501 HydrophobicContact CD1-CG2 3.74Å; L488-V501 HydrophobicContact CG-CB 4.12Å; L488-V501 HydrophobicContact CG-CG2 4.27Å; L488-V501 PolarHBondContact O-N 3.41Å; L488-L506 HydrophobicContact CD2-CD1 3.39Å; L488-L506 HydrophobicContact CG-CD1 4.23Å |
| 489 | V | 73.5 | Confident | 72.6 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 19% | 0.194 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -90.5 | -39.2 | 179.1 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | G485 D486 P491 E503 F538 | G485-V489 PolarHBondContact O-N 2.73Å; D486-V489 PolarHBondContact O-N 3.11Å; V489-P491 VanDerWaalsContact O-CD 3.23Å; V489-P491 WeakPolarHBondContact O-CD 3.42Å; V489-E503 HydrophobicContact CB-CG 4.48Å; V489-E503 HydrophobicContact CG1-CG 3.76Å; V489-E503 HydrophobicContact CG2-CG 3.91Å; V489-F538 HydrophobicContact CB-CE1 4.46Å; V489-F538 HydrophobicContact CG2-CD1 4.24Å; V489-F538 HydrophobicContact CG2-CE1 3.43Å; V489-F538 VanDerWaalsContact CG2-CE1 3.43Å; V489-F538 HydrophobicContact CG2-CZ 3.7Å |
| 490 | S | 68.6 | Low | 71.4 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -114.8 | 70 | 174.2 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | D486 E492 | D486-S490 PolarHBondContact O-N 3.18Å; S490-E492 PolarHBondContact O-N 2.93Å |
| 491 | P | 61.5 | Low | 70.6 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | trans | -64 | 136.4 | 178.7 | 28.1 | -34.9 | 0 | 0 | 0 | 110.6 | L487 V489 I497 P500 | L487-P491 WeakPolarHBondContact O-CA 3.42Å; V489-P491 VanDerWaalsContact O-CD 3.23Å; V489-P491 WeakPolarHBondContact O-CD 3.42Å; P491-I497 HydrophobicContact CB-CD1 4.01Å; P491-I497 HydrophobicContact CB-CG2 3.94Å; P491-I497 HydrophobicContact CG-CG2 4.38Å; P491-P500 HydrophobicContact CG-CB 3.9Å | ||
| 492 | E | 58.8 | Low | 70.1 | Confident | 149 Ų | 149 | 66.7 Ų | 66.7 | 70% | 0.696 | 38% | 0.375 | S | S | * | . | trans | -60.9 | 138.7 | 164.2 | -66.8 | -171.6 | 158.7 | 0 | 0 | 109.4 | S490 S494 | S490-E492 PolarHBondContact O-N 2.93Å; E492-S494 PolarHBondContact O-N 3.48Å; E492-S494 PolarHBondContact O-OG 3.38Å; E492-S494 VanDerWaalsContact O-OG 3.12Å | ||
| 493 | P | 53 | Low | 69.9 | Low | 142 Ų | 142 | 67.5 Ų | 67.5 | 92% | 0.922 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -63.8 | 100.2 | -179 | 26.3 | -34.1 | 0 | 0 | 0 | 110.3 | ||
| 494 | S | 55.8 | Low | 69.7 | Low | 60 Ų | 60 | 71 Ų | 71 | 42% | 0.42 | 40% | 0.397 | S | S | . | . | trans | -136 | 140.2 | 179.8 | 52.2 | 0 | 0 | 0 | 0 | 108.8 | E492 D496 I497 | E492-S494 PolarHBondContact O-N 3.48Å; E492-S494 PolarHBondContact O-OG 3.38Å; E492-S494 VanDerWaalsContact O-OG 3.12Å; S494-D496 PolarHBondContact O-N 2.95Å; S494-I497 PolarHBondContact O-N 3.43Å; S494-I497 VanDerWaalsContact OG-CD1 3.31Å; S494-I497 WeakPolarHBondContact OG-CD1 3.23Å | ||
| 495 | E | 52.4 | Low | 69.7 | Low | 210 Ų | 210 | 75.3 Ų | 75.3 | 98% | 0.981 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.6 | -167.8 | -60.8 | -149.2 | 143.7 | 0 | 0 | 114.4 | ||
| 496 | D | 55.3 | Low | 69.9 | Low | 95 Ų | 95 | 75.3 Ų | 75.3 | 51% | 0.508 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.3 | -176.3 | -80.9 | -31.9 | 0 | 0 | 0 | 114.7 | R417 S494 P498 | R417-D496 IonicContact CZ-OD2 2.73Å; R417-D496 VanDerWaalsContact CZ-OD2 3.26Å; R417-D496 IonicContact NH1-OD2 2.7Å; R417-D496 PolarHBondContact NH1-OD2 2.89Å; R417-D496 IonicContact NH2-OD2 2.85Å; R417-D496 PolarHBondContact NH2-OD2 2.98Å; S494-D496 PolarHBondContact O-N 2.95Å; D496-P498 WeakPolarHBondContact O-CD 3.5Å |
| 497 | I | 60.1 | Low | 70.1 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 13% | 0.133 | 40% | 0.402 | C | S | . | . | trans | -107.8 | 99.7 | -175 | -54.7 | -179.9 | 0 | 0 | 0 | 110.4 | A454 V458 P491 S494 Q499 | A454-I497 HydrophobicContact CB-CD1 4.31Å; V458-I497 HydrophobicContact CG2-CD1 4.39Å; V458-I497 HydrophobicContact CG2-CG1 4.49Å; V458-I497 HydrophobicContact CG2-CG2 3.98Å; P491-I497 HydrophobicContact CB-CD1 4.01Å; P491-I497 HydrophobicContact CB-CG2 3.94Å; P491-I497 HydrophobicContact CG-CG2 4.38Å; S494-I497 PolarHBondContact O-N 3.43Å; S494-I497 VanDerWaalsContact OG-CD1 3.31Å; S494-I497 WeakPolarHBondContact OG-CD1 3.23Å; I497-Q499 PolarHBondContact O-N 3.48Å | ||
| 498 | P | 57.6 | Low | 70.6 | Confident | 114 Ų | 114 | 72.7 Ų | 72.7 | 74% | 0.74 | 41% | 0.406 | S | S | * | . | trans | -75.1 | -25.1 | -163.3 | -19.8 | 34 | 0 | 0 | 0 | 115.7 | D496 | D496-P498 WeakPolarHBondContact O-CD 3.5Š| ||
| 499 | Q | 60.4 | Low | 71.2 | Confident | 154 Ų | 154 | 72.8 Ų | 72.8 | 72% | 0.72 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -159.3 | 132.8 | -176.3 | -157.2 | 95.2 | 56.7 | 0 | 0 | 109.1 | I497 | I497-Q499 PolarHBondContact O-N 3.48Š|
| 500 | P | 67.4 | Low | 72 | Confident | 70 Ų | 70 | 71.2 Ų | 71.2 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 135.3 | 167.7 | 26.6 | -33.9 | 0 | 0 | 0 | 110.1 | P491 | P491-P500 HydrophobicContact CG-CB 3.9Š|
| 501 | V | 75.5 | Confident | 73.2 | Confident | 17 Ų | 17 | 70.2 Ų | 70.2 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 131.2 | 175.9 | 176.6 | 0 | 0 | 0 | 0 | 108.5 | F461 L488 E505 L506 | F461-V501 HydrophobicContact CD1-CG1 4.33Å; F461-V501 HydrophobicContact CD1-CG2 3.85Å; F461-V501 HydrophobicContact CE1-CB 4.25Å; F461-V501 HydrophobicContact CE1-CG1 3.56Å; F461-V501 HydrophobicContact CE1-CG2 3.65Å; F461-V501 HydrophobicContact CE2-CG1 4.35Å; F461-V501 HydrophobicContact CZ-CG1 3.56Å; F461-V501 HydrophobicContact CZ-CG2 4.49Å; L488-V501 HydrophobicContact CD1-CB 4.1Å; L488-V501 HydrophobicContact CD1-CG2 3.74Å; L488-V501 HydrophobicContact CG-CB 4.12Å; L488-V501 HydrophobicContact CG-CG2 4.27Å; L488-V501 PolarHBondContact O-N 3.41Å; V501-E505 HydrophobicContact CG1-CB 4.14Å; V501-L506 HydrophobicContact CG1-CB 4.23Å |
| 502 | T | 82.3 | Confident | 74.6 | Confident | 72 Ų | 72 | 74 Ų | 74 | 44% | 0.442 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 145.6 | 177.6 | 65.6 | 0 | 0 | 0 | 0 | 111.3 | L504 E505 L506 | T502-L504 PolarHBondContact O-N 2.66Å; T502-L504 VanDerWaalsContact O-N 3.11Å; T502-E505 WeakPolarHBondContact CB-OE2 3.38Å; T502-E505 WeakPolarHBondContact CG2-OE2 3.44Å; T502-E505 PolarHBondContact N-OE2 3.43Å; T502-E505 PolarHBondContact O-N 3.44Å; T502-E505 VanDerWaalsContact O-N 3.09Å; T502-E505 WeakPolarHBondContact OG1-CB 3.39Å; T502-E505 WeakPolarHBondContact OG1-CG 3.32Å; T502-E505 PolarHBondContact OG1-N 2.72Å; T502-E505 PolarHBondContact OG1-OE2 2.98Å; T502-L506 PolarHBondContact O-N 3.09Å; T502-L506 VanDerWaalsContact O-N 3.09Å |
| 503 | E | 84.7 | Confident | 76.1 | Confident | 19 Ų | 19 | 67 Ų | 67 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -50 | -38.6 | 173.9 | -66.7 | -174.4 | 168 | 0 | 0 | 111.5 | V489 L506 I507 F538 T539 H542 | V489-E503 HydrophobicContact CB-CG 4.48Å; V489-E503 HydrophobicContact CG1-CG 3.76Å; V489-E503 HydrophobicContact CG2-CG 3.91Å; E503-L506 PolarHBondContact O-N 3.31Å; E503-I507 WeakPolarHBondContact O-CB 3.42Å; E503-I507 WeakPolarHBondContact O-CD1 3.47Å; E503-I507 WeakPolarHBondContact O-CG1 3.19Å; E503-I507 PolarHBondContact O-N 2.8Å; E503-F538 HydrophobicContact CB-CD2 3.8Å; E503-F538 HydrophobicContact CB-CE2 3.78Å; E503-F538 HydrophobicContact CB-CG 4.4Å; E503-F538 HydrophobicContact CB-CZ 4.36Å; E503-F538 HydrophobicContact CG-CB 4.35Å; E503-F538 HydrophobicContact CG-CD1 4.11Å; E503-F538 HydrophobicContact CG-CD2 3.75Å; E503-F538 HydrophobicContact CG-CE1 4.27Å; E503-F538 HydrophobicContact CG-CE2 3.92Å; E503-F538 HydrophobicContact CG-CG 3.83Å; E503-F538 HydrophobicContact CG-CZ 4.17Å; E503-F538 WeakPolarHBondContact OE1-CA 3.39Å; E503-F538 WeakPolarHBondContact OE1-CB 3.18Å; E503-T539 WeakPolarHBondContact OE1-CG2 3.26Å; E503-T539 PolarHBondContact OE1-N 3.04Å; E503-T539 PolarHBondContact OE1-OG1 2.98Å; E503-T539 PolarHBondContact OE2-OG1 2.93Å; E503-H542 IonicContact OE2-CD2 3.69Å; E503-H542 PolarHBondContact OE2-CD2 2.91Å |
| 504 | L | 85.2 | Confident | 77.8 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 41% | 0.414 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 179.8 | -176.8 | 62.1 | 0 | 0 | 0 | 113.5 | T502 L506 T508 K545 | T502-L504 PolarHBondContact O-N 2.66Å; T502-L504 VanDerWaalsContact O-N 3.11Å; L504-L506 VanDerWaalsContact C-N 3.35Å; L504-T508 WeakPolarHBondContact O-CB 3.42Å; L504-T508 PolarHBondContact O-N 3.37Å; L504-T508 PolarHBondContact O-OG1 3.38Å; L504-K545 HydrophobicContact CD1-CD 4.32Å |
| 505 | E | 86.6 | Confident | 79.4 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 174.5 | -77.2 | 161.6 | 142 | 0 | 0 | 110 | V501 T502 I507 T508 V509 | V501-E505 HydrophobicContact CG1-CB 4.14Å; T502-E505 WeakPolarHBondContact CB-OE2 3.38Å; T502-E505 WeakPolarHBondContact CG2-OE2 3.44Å; T502-E505 PolarHBondContact N-OE2 3.43Å; T502-E505 PolarHBondContact O-N 3.44Å; T502-E505 VanDerWaalsContact O-N 3.09Å; T502-E505 WeakPolarHBondContact OG1-CB 3.39Å; T502-E505 WeakPolarHBondContact OG1-CG 3.32Å; T502-E505 PolarHBondContact OG1-N 2.72Å; T502-E505 PolarHBondContact OG1-OE2 2.98Å; E505-I507 PolarHBondContact O-N 3.02Å; E505-T508 CarbonylContact O-C 3.55Å; E505-T508 WeakPolarHBondContact O-CA 3.38Å; E505-T508 WeakPolarHBondContact O-CB 3.19Å; E505-T508 PolarHBondContact O-N 3.48Å; E505-V509 WeakPolarHBondContact O-CG2 3.45Å; E505-V509 PolarHBondContact O-N 2.84Å |
| 506 | L | 87.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -48.6 | -179.7 | -171 | 146.7 | 0 | 0 | 0 | 112.2 | F461 I481 L488 V501 T502 E503 L504 T508 V509 L510 L534 F538 | F461-L506 HydrophobicContact CD2-CD1 4.24Å; F461-L506 HydrophobicContact CD2-CG 4.32Å; F461-L506 HydrophobicContact CE2-CB 4.14Å; F461-L506 HydrophobicContact CE2-CD1 4.26Å; F461-L506 HydrophobicContact CE2-CG 3.94Å; I481-L506 HydrophobicContact CG2-CD1 3.81Å; I481-L506 HydrophobicContact CG2-CD2 3.83Å; I481-L506 HydrophobicContact CG2-CG 4.24Å; L488-L506 HydrophobicContact CD2-CD1 3.39Å; L488-L506 HydrophobicContact CG-CD1 4.23Å; V501-L506 HydrophobicContact CG1-CB 4.23Å; T502-L506 PolarHBondContact O-N 3.09Å; T502-L506 VanDerWaalsContact O-N 3.09Å; E503-L506 PolarHBondContact O-N 3.31Å; L504-L506 VanDerWaalsContact C-N 3.35Å; L506-T508 PolarHBondContact O-N 3.37Å; L506-V509 PolarHBondContact O-N 2.9Å; L506-V509 VanDerWaalsContact O-N 3.08Å; L506-L510 HydrophobicContact CD2-CD1 3.64Å; L506-L510 HydrophobicContact CD2-CG 4.13Å; L506-L510 PolarHBondContact O-N 3.05Å; L506-L534 HydrophobicContact CD2-CD1 3.43Å; L506-L534 VanDerWaalsContact CD2-CD1 3.43Å; L506-F538 HydrophobicContact CB-CZ 4.42Å; L506-F538 HydrophobicContact CD1-CZ 4.14Å; L506-F538 HydrophobicContact CD2-CE2 4.06Å; L506-F538 HydrophobicContact CD2-CZ 3.9Å; L506-F538 HydrophobicContact CG-CZ 4.37Å |
| 507 | I | 88.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58 | -37 | 175 | -69.2 | 166.9 | 0 | 0 | 0 | 110.8 | E503 E505 L510 Q511 F538 H542 K545 L546 L549 | E503-I507 WeakPolarHBondContact O-CB 3.42Å; E503-I507 WeakPolarHBondContact O-CD1 3.47Å; E503-I507 WeakPolarHBondContact O-CG1 3.19Å; E503-I507 PolarHBondContact O-N 2.8Å; E505-I507 PolarHBondContact O-N 3.02Å; I507-L510 PolarHBondContact O-N 3.09Å; I507-Q511 VanDerWaalsContact O-CB 3.29Å; I507-Q511 WeakPolarHBondContact O-CB 3.2Å; I507-Q511 PolarHBondContact O-N 2.86Å; I507-F538 HydrophobicContact CD1-CD2 4.32Å; I507-F538 HydrophobicContact CD1-CE2 4.38Å; I507-F538 HydrophobicContact CG1-CE2 4.25Å; I507-H542 HydrophobicContact CD1-CB 3.58Å; I507-K545 HydrophobicContact CG2-CD 3.81Å; I507-K545 HydrophobicContact CG2-CG 4.04Å; I507-L546 HydrophobicContact CD1-CD1 4.48Å; I507-L546 HydrophobicContact CD1-CD2 3.92Å; I507-L546 HydrophobicContact CD1-CG 3.96Å; I507-L546 HydrophobicContact CG1-CD2 3.78Å; I507-L546 HydrophobicContact CG1-CG 4.38Å; I507-L549 HydrophobicContact CG2-CD1 3.61Å |
| 508 | T | 89.7 | Confident | 83.9 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 32% | 0.319 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.6 | -29.9 | 178.5 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | L504 E505 L506 R512 K545 | L504-T508 WeakPolarHBondContact O-CB 3.42Å; L504-T508 PolarHBondContact O-N 3.37Å; L504-T508 PolarHBondContact O-OG1 3.38Å; E505-T508 CarbonylContact O-C 3.55Å; E505-T508 WeakPolarHBondContact O-CA 3.38Å; E505-T508 WeakPolarHBondContact O-CB 3.19Å; E505-T508 PolarHBondContact O-N 3.48Å; L506-T508 PolarHBondContact O-N 3.37Å; T508-R512 WeakPolarHBondContact O-CG 3.45Å; T508-R512 PolarHBondContact O-N 3.47Å; T508-R512 PolarHBondContact O-NE 3.4Å; T508-K545 PolarHBondContact OG1-NZ 2.92Å |
| 509 | V | 89.7 | Confident | 85.4 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.1 | -45.4 | 170.4 | -167.7 | 0 | 0 | 0 | 0 | 110.7 | F461 M464 N465 M468 E505 L506 Q511 R512 A513 | F461-V509 HydrophobicContact CE2-CB 3.85Å; F461-V509 HydrophobicContact CE2-CG1 4.23Å; F461-V509 HydrophobicContact CE2-CG2 3.47Å; F461-V509 VanDerWaalsContact CE2-CG2 3.47Å; F461-V509 HydrophobicContact CZ-CB 4.33Å; F461-V509 HydrophobicContact CZ-CG2 3.44Å; F461-V509 VanDerWaalsContact CZ-CG2 3.44Å; M464-V509 HydrophobicContact CE-CG1 3.88Å; N465-V509 HydrophobicContact CB-CG1 4.23Å; M468-V509 HydrophobicContact CE-CG1 3.38Å; E505-V509 WeakPolarHBondContact O-CG2 3.45Å; E505-V509 PolarHBondContact O-N 2.84Å; L506-V509 PolarHBondContact O-N 2.9Å; L506-V509 VanDerWaalsContact O-N 3.08Å; V509-Q511 PolarHBondContact O-N 3.04Å; V509-R512 PolarHBondContact O-N 2.71Å; V509-A513 PolarHBondContact O-N 2.85Å |
| 510 | L | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 176.9 | -67.3 | 179.8 | 0 | 0 | 0 | 112.3 | M464 L506 I507 R512 A513 L514 V527 T530 L531 L534 | M464-L510 HydrophobicContact CE-CD2 4.19Å; L506-L510 HydrophobicContact CD2-CD1 3.64Å; L506-L510 HydrophobicContact CD2-CG 4.13Å; L506-L510 PolarHBondContact O-N 3.05Å; I507-L510 PolarHBondContact O-N 3.09Å; L510-R512 VanDerWaalsContact C-N 3.33Å; L510-R512 PolarHBondContact O-N 3.27Å; L510-A513 PolarHBondContact O-N 3.4Å; L510-L514 WeakPolarHBondContact O-CB 3.46Å; L510-L514 PolarHBondContact O-N 3.01Å; L510-V527 HydrophobicContact CB-CG1 4.21Å; L510-V527 HydrophobicContact CD2-CG1 4.37Å; L510-T530 HydrophobicContact CD1-CG2 3.68Å; L510-T530 HydrophobicContact CD2-CG2 4.16Å; L510-L531 HydrophobicContact CB-CD2 4.13Å; L510-L531 HydrophobicContact CD1-CD2 3.94Å; L510-L531 HydrophobicContact CD1-CG 4.4Å; L510-L534 HydrophobicContact CD1-CD1 3.48Å; L510-L534 VanDerWaalsContact CD1-CD1 3.48Å |
| 511 | Q | 92.3 | Very high | 88 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 173.3 | -179.3 | 172 | 13.9 | 0 | 0 | 111.7 | I507 V509 L514 V515 L549 | I507-Q511 VanDerWaalsContact O-CB 3.29Å; I507-Q511 WeakPolarHBondContact O-CB 3.2Å; I507-Q511 PolarHBondContact O-N 2.86Å; V509-Q511 PolarHBondContact O-N 3.04Å; Q511-L514 PolarHBondContact O-N 2.87Å; Q511-V515 WeakPolarHBondContact O-CG2 3.38Å; Q511-V515 PolarHBondContact O-N 3.16Å; Q511-L549 HydrophobicContact CB-CD1 4.04Å; Q511-L549 HydrophobicContact CB-CD2 4.03Å; Q511-L549 HydrophobicContact CG-CD2 3.64Å |
| 512 | R | 91.6 | Very high | 88.7 | Confident | 116 Ų | 116 | 52.5 Ų | 52.5 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 174 | -75.8 | -177 | -66.5 | 144.4 | 1.5 | 111.9 | N465 M468 T508 V509 L510 L514 V515 S516 | N465-R512 PolarHBondContact OD1-NH1 2.79Å; N465-R512 PolarHBondContact OD1-NH2 2.9Å; M468-R512 HydrophobicContact CE-CB 4.02Å; M468-R512 HydrophobicContact SD-CB 4.18Å; T508-R512 WeakPolarHBondContact O-CG 3.45Å; T508-R512 PolarHBondContact O-N 3.47Å; T508-R512 PolarHBondContact O-NE 3.4Å; V509-R512 PolarHBondContact O-N 2.71Å; L510-R512 VanDerWaalsContact C-N 3.33Å; L510-R512 PolarHBondContact O-N 3.27Å; R512-L514 VanDerWaalsContact C-N 3.31Å; R512-L514 PolarHBondContact O-N 3.49Å; R512-V515 PolarHBondContact O-N 3.02Å; R512-S516 WeakPolarHBondContact O-CB 3.41Å; R512-S516 PolarHBondContact O-N 2.81Å |
| 513 | A | 90.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M468 V474 V509 L510 S519 V527 | M468-A513 HydrophobicContact CE-CB 4.49Å; V474-A513 HydrophobicContact CG1-CB 4.37Å; V509-A513 PolarHBondContact O-N 2.85Å; L510-A513 PolarHBondContact O-N 3.4Å; A513-S519 WeakPolarHBondContact O-CB 3.43Å; A513-S519 PolarHBondContact O-OG 2.86Å; A513-V527 HydrophobicContact CB-CG2 4.04Å |
| 514 | L | 89.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 177.2 | -164.1 | 70.1 | 0 | 0 | 0 | 112 | L510 Q511 R512 K524 V527 I528 L531 Y553 | L510-L514 WeakPolarHBondContact O-CB 3.46Å; L510-L514 PolarHBondContact O-N 3.01Å; Q511-L514 PolarHBondContact O-N 2.87Å; R512-L514 VanDerWaalsContact C-N 3.31Å; R512-L514 PolarHBondContact O-N 3.49Å; L514-K524 WeakPolarHBondContact O-CE 3.24Å; L514-V527 HydrophobicContact CB-CG1 4.05Å; L514-V527 HydrophobicContact CD1-CB 4.07Å; L514-V527 HydrophobicContact CD1-CG1 3.8Å; L514-V527 HydrophobicContact CG-CG1 4.49Å; L514-I528 HydrophobicContact CD1-CD1 4.34Å; L514-I528 HydrophobicContact CD1-CG1 3.76Å; L514-L531 HydrophobicContact CD2-CD1 4.31Å; L514-Y553 HydrophobicContact CD1-CD2 4.21Å; L514-Y553 HydrophobicContact CD1-CE2 3.58Å; L514-Y553 HydrophobicContact CD2-CE2 4.16Å; L514-Y553 HydrophobicContact CG-CD2 4.46Å; L514-Y553 HydrophobicContact CG-CE2 3.66Å; L514-Y553 PolarHBondContact O-OH 3.17Å; L514-Y553 VanDerWaalsContact O-OH 3.09Å |
| 515 | V | 89.1 | Confident | 90.1 | Very high | 89 Ų | 89 | 48 Ų | 48 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -82.8 | -18.3 | -176.7 | 179 | 0 | 0 | 0 | 0 | 112.7 | Q511 R512 V517 | Q511-V515 WeakPolarHBondContact O-CG2 3.38Å; Q511-V515 PolarHBondContact O-N 3.16Å; R512-V515 PolarHBondContact O-N 3.02Å; V515-V517 PolarHBondContact O-N 3.2Å |
| 516 | S | 88 | Confident | 90.3 | Very high | 30 Ų | 30 | 45.3 Ų | 45.3 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | trans | -55.1 | 138.5 | -178.2 | -174.1 | 0 | 0 | 0 | 0 | 113.3 | R512 T518 S519 K524 | R512-S516 WeakPolarHBondContact O-CB 3.41Å; R512-S516 PolarHBondContact O-N 2.81Å; S516-T518 VanDerWaalsContact C-N 3.29Å; S516-T518 PolarHBondContact OG-N 3.42Å; S516-T518 PolarHBondContact OG-OG1 3.38Å; S516-S519 PolarHBondContact O-N 2.83Å; S516-K524 PolarHBondContact O-NZ 2.97Å | ||
| 517 | V | 87 | Confident | 90.6 | Very high | 147 Ų | 147 | 45.3 Ų | 45.3 | 89% | 0.891 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -27.1 | 174.4 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | V515 S519 | V515-V517 PolarHBondContact O-N 3.2Å; V517-S519 VanDerWaalsContact C-N 3.27Å; V517-S519 PolarHBondContact O-N 3.39Å |
| 518 | T | 86.6 | Confident | 90.9 | Very high | 67 Ų | 67 | 45.3 Ų | 45.3 | 41% | 0.411 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -21.6 | 176.2 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | M468 Q471 S516 T520 | M468-T518 PolarHBondContact O-OG1 3.49Å; M468-T518 VanDerWaalsContact O-OG1 3.06Å; Q471-T518 PolarHBondContact NE2-O 3.07Å; Q471-T518 VanDerWaalsContact NE2-O 3.11Å; Q471-T518 PolarHBondContact OE1-O 3.44Å; S516-T518 VanDerWaalsContact C-N 3.29Å; S516-T518 PolarHBondContact OG-N 3.42Å; S516-T518 PolarHBondContact OG-OG1 3.38Å; T518-T520 PolarHBondContact O-N 2.96Å |
| 519 | S | 89.2 | Confident | 91 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | trans | -74.6 | 118.5 | -171.3 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | Q471 A513 S516 V517 K524 | Q471-S519 VanDerWaalsContact OE1-CA 3.31Å; A513-S519 WeakPolarHBondContact O-CB 3.43Å; A513-S519 PolarHBondContact O-OG 2.86Å; S516-S519 PolarHBondContact O-N 2.83Å; V517-S519 VanDerWaalsContact C-N 3.27Å; V517-S519 PolarHBondContact O-N 3.39Å; S519-K524 VanDerWaalsContact CB-CE 3.49Å; S519-K524 WeakPolarHBondContact O-CE 3.39Å; S519-K524 PolarHBondContact O-NZ 3.49Å | ||
| 520 | T | 90.7 | Very high | 91.2 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 36% | 0.356 | 24% | 0.241 | S | C | . | . | trans | -67.4 | 164.5 | 174.5 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | Q471 T518 Q522 T523 K524 | Q471-T520 HydrophobicContact CG-CG2 3.89Å; T518-T520 PolarHBondContact O-N 2.96Å; T520-Q522 VanDerWaalsContact C-N 3.29Å; T520-Q522 PolarHBondContact O-N 2.93Å; T520-T523 PolarHBondContact O-N 3.45Å; T520-T523 PolarHBondContact OG1-N 3.4Å; T520-T523 PolarHBondContact OG1-OG1 2.96Å; T520-K524 WeakPolarHBondContact O-CG 3.21Å; T520-K524 PolarHBondContact O-N 3.46Å | ||
| 521 | V | 91.7 | Very high | 91.2 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 111 | K524 Q525 L561 | V521-K524 PolarHBondContact O-N 3.36Å; V521-Q525 VanDerWaalsContact O-CG 3.29Å; V521-Q525 WeakPolarHBondContact O-CG 3.23Å; V521-Q525 PolarHBondContact O-N 2.92Å; V521-L561 HydrophobicContact CG1-CD1 4.22Å; V521-L561 HydrophobicContact CG1-CD2 4.3Å; V521-L561 HydrophobicContact CG1-CG 4.03Å |
| 522 | Q | 91.5 | Very high | 91.2 | Very high | 123 Ų | 123 | 41.9 Ų | 41.9 | 58% | 0.575 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.2 | -46.4 | 175.5 | -71 | 172.7 | -24.6 | 0 | 0 | 112.3 | T520 K524 Q525 M526 | T520-Q522 VanDerWaalsContact C-N 3.29Å; T520-Q522 PolarHBondContact O-N 2.93Å; Q522-K524 VanDerWaalsContact C-N 3.29Å; Q522-K524 PolarHBondContact O-N 3.44Å; Q522-Q525 WeakPolarHBondContact O-CB 3.47Å; Q522-Q525 PolarHBondContact O-N 3.01Å; Q522-M526 WeakPolarHBondContact O-CG 3.27Å; Q522-M526 PolarHBondContact O-N 3.37Å |
| 523 | T | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 176 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | Q471 V474 Q475 T520 M526 V527 | Q471-T523 VanDerWaalsContact OE1-CB 3.27Å; Q471-T523 PolarHBondContact OE1-OG1 2.95Å; V474-T523 HydrophobicContact CB-CG2 3.82Å; V474-T523 HydrophobicContact CG1-CG2 3.37Å; Q475-T523 HydrophobicContact CG-CG2 4.39Å; Q475-T523 PolarHBondContact NE2-OG1 3.29Å; Q475-T523 VanDerWaalsContact NE2-OG1 3.09Å; T520-T523 PolarHBondContact O-N 3.45Å; T520-T523 PolarHBondContact OG1-N 3.4Å; T520-T523 PolarHBondContact OG1-OG1 2.96Å; T523-M526 PolarHBondContact O-N 3.42Å; T523-V527 VanDerWaalsContact O-CG2 3.32Å; T523-V527 WeakPolarHBondContact O-CG2 3.18Å; T523-V527 PolarHBondContact O-N 3.15Å |
| 524 | K | 93.7 | Very high | 91.1 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 175.4 | -70.3 | 175.4 | -176.4 | 177.5 | 0 | 112.6 | L514 S516 S519 T520 V521 Q522 M526 V527 I528 L561 | L514-K524 WeakPolarHBondContact O-CE 3.24Å; S516-K524 PolarHBondContact O-NZ 2.97Å; S519-K524 VanDerWaalsContact CB-CE 3.49Å; S519-K524 WeakPolarHBondContact O-CE 3.39Å; S519-K524 PolarHBondContact O-NZ 3.49Å; T520-K524 WeakPolarHBondContact O-CG 3.21Å; T520-K524 PolarHBondContact O-N 3.46Å; V521-K524 PolarHBondContact O-N 3.36Å; Q522-K524 VanDerWaalsContact C-N 3.29Å; Q522-K524 PolarHBondContact O-N 3.44Å; K524-M526 VanDerWaalsContact C-N 3.3Å; K524-M526 PolarHBondContact O-N 3.22Å; K524-V527 PolarHBondContact O-N 3.08Å; K524-I528 WeakPolarHBondContact O-CD1 3.46Å; K524-I528 WeakPolarHBondContact O-CG1 3.18Å; K524-I528 PolarHBondContact O-N 3.19Å; K524-L561 HydrophobicContact CB-CD1 4.19Å; K524-L561 HydrophobicContact CB-CD2 3.69Å; K524-L561 HydrophobicContact CD-CD1 4.31Å |
| 525 | Q | 94 | Very high | 91 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 172.1 | -66.5 | 158.1 | 9.6 | 0 | 0 | 111.2 | V521 Q522 I528 N529 E560 L561 | V521-Q525 VanDerWaalsContact O-CG 3.29Å; V521-Q525 WeakPolarHBondContact O-CG 3.23Å; V521-Q525 PolarHBondContact O-N 2.92Å; Q522-Q525 WeakPolarHBondContact O-CB 3.47Å; Q522-Q525 PolarHBondContact O-N 3.01Å; Q525-I528 PolarHBondContact O-N 3.19Å; Q525-N529 WeakPolarHBondContact O-CB 3.32Å; Q525-N529 PolarHBondContact O-N 3.35Å; Q525-E560 HydrophobicContact CG-CG 4.02Å; Q525-L561 HydrophobicContact CB-CD2 4.49Å; Q525-L561 HydrophobicContact CG-CD2 3.76Å |
| 526 | M | 92.6 | Very high | 90.8 | Very high | 50 Ų | 50 | 35.1 Ų | 35.1 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.1 | -43.3 | 178 | -68.4 | -176.7 | 74.9 | 0 | 0 | 112.2 | Q475 C478 W479 Q522 T523 K524 I528 N529 T530 | Q475-M526 HydrophobicContact CB-CE 3.96Å; Q475-M526 HydrophobicContact CB-SD 3.54Å; Q475-M526 VanDerWaalsContact CB-SD 3.54Å; Q475-M526 HydrophobicContact CG-SD 3.57Å; Q475-M526 VanDerWaalsContact CG-SD 3.57Å; Q475-M526 WeakPolarHBondContact O-CE 3.35Å; C478-M526 HydrophobicContact CB-CB 4.28Å; W479-M526 HydrophobicContact CB-CE 3.98Å; Q522-M526 WeakPolarHBondContact O-CG 3.27Å; Q522-M526 PolarHBondContact O-N 3.37Å; T523-M526 PolarHBondContact O-N 3.42Å; K524-M526 VanDerWaalsContact C-N 3.3Å; K524-M526 PolarHBondContact O-N 3.22Å; M526-I528 VanDerWaalsContact C-N 3.31Å; M526-I528 PolarHBondContact O-N 2.83Å; M526-N529 CarbonylContact O-C 3.59Å; M526-N529 WeakPolarHBondContact O-CB 3.32Å; M526-N529 PolarHBondContact O-N 3Å; M526-N529 VanDerWaalsContact O-N 3.13Å; M526-T530 PolarHBondContact O-N 3.4Å; M526-T530 PolarHBondContact O-OG1 3.22Å |
| 527 | V | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.4 | -42.8 | 173.6 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | C478 L510 A513 L514 T523 K524 N529 T530 L531 | C478-V527 WeakPolarHBondContact SG-CG2 3.06Å; L510-V527 HydrophobicContact CB-CG1 4.21Å; L510-V527 HydrophobicContact CD2-CG1 4.37Å; A513-V527 HydrophobicContact CB-CG2 4.04Å; L514-V527 HydrophobicContact CB-CG1 4.05Å; L514-V527 HydrophobicContact CD1-CB 4.07Å; L514-V527 HydrophobicContact CD1-CG1 3.8Å; L514-V527 HydrophobicContact CG-CG1 4.49Å; T523-V527 VanDerWaalsContact O-CG2 3.32Å; T523-V527 WeakPolarHBondContact O-CG2 3.18Å; T523-V527 PolarHBondContact O-N 3.15Å; K524-V527 PolarHBondContact O-N 3.08Å; V527-N529 VanDerWaalsContact C-N 3.33Å; V527-N529 PolarHBondContact O-N 2.85Å; V527-T530 WeakPolarHBondContact O-CB 3.25Å; V527-T530 PolarHBondContact O-N 2.8Å; V527-L531 HydrophobicContact CG1-CD1 4.18Å; V527-L531 HydrophobicContact CG1-CG 4.44Å; V527-L531 VanDerWaalsContact O-CG 3.31Å; V527-L531 WeakPolarHBondContact O-CG 3.26Å; V527-L531 PolarHBondContact O-N 2.89Å |
| 528 | I | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 176.8 | -65.6 | 162.9 | 0 | 0 | 0 | 111.1 | L514 K524 Q525 M526 L531 V532 Y553 L561 R564 Y568 | L514-I528 HydrophobicContact CD1-CD1 4.34Å; L514-I528 HydrophobicContact CD1-CG1 3.76Å; K524-I528 WeakPolarHBondContact O-CD1 3.46Å; K524-I528 WeakPolarHBondContact O-CG1 3.18Å; K524-I528 PolarHBondContact O-N 3.19Å; Q525-I528 PolarHBondContact O-N 3.19Å; M526-I528 VanDerWaalsContact C-N 3.31Å; M526-I528 PolarHBondContact O-N 2.83Å; I528-L531 PolarHBondContact O-N 3.44Å; I528-V532 PolarHBondContact O-N 3.07Å; I528-V532 VanDerWaalsContact O-N 3.11Å; I528-Y553 HydrophobicContact CD1-CD2 3.74Å; I528-Y553 HydrophobicContact CD1-CE2 4.37Å; I528-Y553 HydrophobicContact CG1-CD2 4.46Å; I528-L561 HydrophobicContact CD1-CD2 3.72Å; I528-R564 HydrophobicContact CG2-CB 4.13Å; I528-Y568 HydrophobicContact CG2-CD2 3.56Å; I528-Y568 HydrophobicContact CG2-CE2 3.84Å |
| 529 | N | 92.5 | Very high | 90 | Very high | 52 Ų | 52 | 30 Ų | 30 | 28% | 0.278 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.5 | -40 | 174 | -165.8 | 50.6 | 0 | 0 | 0 | 112.3 | Q525 M526 V527 V532 K533 Y568 | Q525-N529 WeakPolarHBondContact O-CB 3.32Å; Q525-N529 PolarHBondContact O-N 3.35Å; M526-N529 CarbonylContact O-C 3.59Å; M526-N529 WeakPolarHBondContact O-CB 3.32Å; M526-N529 PolarHBondContact O-N 3Å; M526-N529 VanDerWaalsContact O-N 3.13Å; V527-N529 VanDerWaalsContact C-N 3.33Å; V527-N529 PolarHBondContact O-N 2.85Å; N529-V532 WeakPolarHBondContact O-CG1 3.34Å; N529-K533 PolarHBondContact O-N 3.39Å; N529-K533 VanDerWaalsContact O-N 3.14Å; N529-Y568 HydrophobicContact CB-CE2 4.31Å; N529-Y568 PolarHBondContact OD1-OH 3.05Å |
| 530 | T | 93.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -49.3 | 171.6 | -52.5 | 0 | 0 | 0 | 0 | 110.9 | C478 I481 L510 M526 V527 V532 K533 L534 | C478-T530 VanDerWaalsContact C-OG1 3.22Å; C478-T530 WeakPolarHBondContact CA-OG1 3.38Å; C478-T530 WeakPolarHBondContact CB-OG1 3.38Å; C478-T530 WeakPolarHBondContact O-CG2 3.4Å; C478-T530 PolarHBondContact O-OG1 3.23Å; I481-T530 HydrophobicContact CB-CG2 4.03Å; I481-T530 HydrophobicContact CG2-CG2 3.62Å; L510-T530 HydrophobicContact CD1-CG2 3.68Å; L510-T530 HydrophobicContact CD2-CG2 4.16Å; M526-T530 PolarHBondContact O-N 3.4Å; M526-T530 PolarHBondContact O-OG1 3.22Å; V527-T530 WeakPolarHBondContact O-CB 3.25Å; V527-T530 PolarHBondContact O-N 2.8Å; T530-V532 VanDerWaalsContact C-N 3.32Å; T530-V532 PolarHBondContact O-N 2.86Å; T530-K533 PolarHBondContact O-N 2.85Å; T530-L534 HydrophobicContact CG2-CD1 4.07Å; T530-L534 HydrophobicContact CG2-CG 4.35Å; T530-L534 WeakPolarHBondContact O-CG 3.1Å; T530-L534 PolarHBondContact O-N 3.37Å |
| 531 | L | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -41.2 | -179.2 | -73 | 168.7 | 0 | 0 | 0 | 112.3 | L510 L514 V527 I528 L534 T535 L546 L549 I550 | L510-L531 HydrophobicContact CB-CD2 4.13Å; L510-L531 HydrophobicContact CD1-CD2 3.94Å; L510-L531 HydrophobicContact CD1-CG 4.4Å; L514-L531 HydrophobicContact CD2-CD1 4.31Å; V527-L531 HydrophobicContact CG1-CD1 4.18Å; V527-L531 HydrophobicContact CG1-CG 4.44Å; V527-L531 VanDerWaalsContact O-CG 3.31Å; V527-L531 WeakPolarHBondContact O-CG 3.26Å; V527-L531 PolarHBondContact O-N 2.89Å; I528-L531 PolarHBondContact O-N 3.44Å; L531-L534 PolarHBondContact O-N 2.9Å; L531-T535 WeakPolarHBondContact O-CG2 3.47Å; L531-L546 HydrophobicContact CD2-CD2 3.64Å; L531-L549 HydrophobicContact CD1-CB 3.89Å; L531-L549 HydrophobicContact CD2-CB 4.46Å; L531-L549 HydrophobicContact CD2-CD1 4.13Å; L531-I550 HydrophobicContact CB-CD1 4.22Å; L531-I550 HydrophobicContact CB-CG1 3.75Å |
| 532 | V | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.8 | -42.2 | 176.6 | 68.8 | 0 | 0 | 0 | 0 | 112 | I528 N529 T530 L534 T535 I550 Y568 I571 L583 | I528-V532 PolarHBondContact O-N 3.07Å; I528-V532 VanDerWaalsContact O-N 3.11Å; N529-V532 WeakPolarHBondContact O-CG1 3.34Å; T530-V532 VanDerWaalsContact C-N 3.32Å; T530-V532 PolarHBondContact O-N 2.86Å; V532-L534 VanDerWaalsContact C-N 3.31Å; V532-L534 PolarHBondContact O-N 3.24Å; V532-T535 WeakPolarHBondContact O-CB 3.25Å; V532-T535 PolarHBondContact O-N 3.22Å; V532-T535 VanDerWaalsContact O-N 3.09Å; V532-T535 PolarHBondContact O-OG1 3.09Å; V532-I550 HydrophobicContact CB-CD1 4.12Å; V532-Y568 HydrophobicContact CB-CD2 3.78Å; V532-Y568 HydrophobicContact CB-CG 4.03Å; V532-Y568 HydrophobicContact CG1-CD2 3.41Å; V532-Y568 VanDerWaalsContact CG1-CD2 3.41Å; V532-Y568 HydrophobicContact CG1-CE2 3.7Å; V532-Y568 HydrophobicContact CG1-CG 3.9Å; V532-Y568 HydrophobicContact CG2-CD2 4.4Å; V532-Y568 HydrophobicContact CG2-CG 4.15Å; V532-I571 HydrophobicContact CG2-CG2 4.43Å; V532-L583 HydrophobicContact CG1-CD2 4.12Å; V532-L583 HydrophobicContact CG2-CD1 3.92Å; V532-L583 HydrophobicContact CG2-CD2 4.07Å |
| 533 | K | 90.6 | Very high | 87.8 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 9% | 0.087 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -35.7 | 175.2 | -74.1 | -156.3 | 172.4 | -156.1 | 0 | 112.8 | G482 E483 N529 T530 T535 T536 L583 D584 | G482-K533 WeakPolarHBondContact O-CB 3.32Å; G482-K533 WeakPolarHBondContact O-CD 3.28Å; E483-K533 IonicContact OE1-NZ 2.66Å; E483-K533 PolarHBondContact OE1-NZ 2.96Å; E483-K533 IonicContact OE2-NZ 3.86Å; E483-K533 PolarHBondContact OE2-NZ 3.26Å; N529-K533 PolarHBondContact O-N 3.39Å; N529-K533 VanDerWaalsContact O-N 3.14Å; T530-K533 PolarHBondContact O-N 2.85Å; K533-T535 PolarHBondContact O-N 2.99Å; K533-T536 PolarHBondContact O-N 3.09Å; K533-T536 PolarHBondContact O-OG1 2.72Å; K533-L583 HydrophobicContact CG-CB 4.43Å; K533-L583 HydrophobicContact CG-CD2 4.36Å; K533-D584 PolarHBondContact NZ-O 3.22Å |
| 534 | L | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -21.6 | 175.9 | -67.5 | 174 | 0 | 0 | 0 | 113.3 | I481 L506 L510 T530 L531 V532 T536 R537 F538 L546 | I481-L534 HydrophobicContact CG2-CD1 4.29Å; I481-L534 HydrophobicContact CG2-CD2 4.33Å; L506-L534 HydrophobicContact CD2-CD1 3.43Å; L506-L534 VanDerWaalsContact CD2-CD1 3.43Å; L510-L534 HydrophobicContact CD1-CD1 3.48Å; L510-L534 VanDerWaalsContact CD1-CD1 3.48Å; T530-L534 HydrophobicContact CG2-CD1 4.07Å; T530-L534 HydrophobicContact CG2-CG 4.35Å; T530-L534 WeakPolarHBondContact O-CG 3.1Å; T530-L534 PolarHBondContact O-N 3.37Å; L531-L534 PolarHBondContact O-N 2.9Å; V532-L534 VanDerWaalsContact C-N 3.31Å; V532-L534 PolarHBondContact O-N 3.24Å; L534-T536 PolarHBondContact O-N 2.89Å; L534-T536 VanDerWaalsContact O-N 3.16Å; L534-R537 PolarHBondContact O-N 2.84Å; L534-F538 HydrophobicContact CB-CD2 4.34Å; L534-F538 HydrophobicContact CD1-CE2 4.19Å; L534-F538 HydrophobicContact CD1-CZ 4.36Å; L534-F538 HydrophobicContact CD2-CD1 4.14Å; L534-F538 HydrophobicContact CD2-CE1 3.7Å; L534-F538 HydrophobicContact CD2-CE2 4.19Å; L534-F538 HydrophobicContact CD2-CZ 3.75Å; L534-F538 WeakPolarHBondContact O-CB 3.44Å; L534-F538 PolarHBondContact O-N 2.84Å; L534-L546 HydrophobicContact CB-CD1 4.18Å; L534-L546 HydrophobicContact CB-CD2 4.32Å |
| 535 | T | 87.6 | Confident | 87.3 | Confident | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.6 | -11 | 176.6 | 74.2 | 0 | 0 | 0 | 0 | 114.8 | L531 V532 K533 L543 L546 I550 R579 | L531-T535 WeakPolarHBondContact O-CG2 3.47Å; V532-T535 WeakPolarHBondContact O-CB 3.25Å; V532-T535 PolarHBondContact O-N 3.22Å; V532-T535 VanDerWaalsContact O-N 3.09Å; V532-T535 PolarHBondContact O-OG1 3.09Å; K533-T535 PolarHBondContact O-N 2.99Å; T535-L543 HydrophobicContact CG2-CD1 3.95Å; T535-L546 HydrophobicContact CG2-CB 4Å; T535-L546 HydrophobicContact CG2-CD1 4.04Å; T535-I550 HydrophobicContact CG2-CD1 4.03Å; T535-R579 PolarHBondContact O-NH1 3.2Å; T535-R579 PolarHBondContact OG1-NH1 2.96Å |
| 536 | T | 84.6 | Confident | 87 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -108.4 | -17.6 | 173.4 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | K533 L534 I576 R579 L583 | K533-T536 PolarHBondContact O-N 3.09Å; K533-T536 PolarHBondContact O-OG1 2.72Å; L534-T536 PolarHBondContact O-N 2.89Å; L534-T536 VanDerWaalsContact O-N 3.16Å; T536-I576 HydrophobicContact CG2-CD1 4.17Å; T536-R579 HydrophobicContact CG2-CB 3.67Å; T536-L583 HydrophobicContact CG2-CB 4.29Å; T536-L583 HydrophobicContact CG2-CD1 3.84Å |
| 537 | R | 83.8 | Confident | 86.8 | Confident | 49 Ų | 49 | 37.8 Ų | 37.8 | 19% | 0.185 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -95.7 | -32.6 | -178.1 | -63.5 | -176.1 | -176 | -70.1 | -15.6 | 114 | G482 E483 D486 L534 C585 | G482-R537 PolarHBondContact O-NE 2.83Å; E483-R537 PolarHBondContact O-NE 2.91Å; E483-R537 PolarHBondContact O-NH1 3.37Å; E483-R537 VanDerWaalsContact O-NH1 3.1Å; E483-R537 PolarHBondContact O-NH2 3.37Å; D486-R537 HydrophobicContact CB-CB 4.33Å; D486-R537 WeakPolarHBondContact OD1-CD 3.41Å; D486-R537 IonicContact OD1-CZ 2.96Å; D486-R537 IonicContact OD1-NE 3.36Å; D486-R537 IonicContact OD1-NH1 3.88Å; D486-R537 PolarHBondContact OD1-NH1 2.91Å; D486-R537 IonicContact OD2-NH1 3.79Å; L534-R537 PolarHBondContact O-N 2.84Å; R537-C585 PolarHBondContact NH2-SG 2.95Å |
| 538 | F | 83.7 | Confident | 86.7 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -90.1 | 161.5 | -177.3 | -75.8 | 2.5 | 0 | 0 | 0 | 113.1 | V489 E503 L506 I507 L534 | V489-F538 HydrophobicContact CB-CE1 4.46Å; V489-F538 HydrophobicContact CG2-CD1 4.24Å; V489-F538 HydrophobicContact CG2-CE1 3.43Å; V489-F538 VanDerWaalsContact CG2-CE1 3.43Å; V489-F538 HydrophobicContact CG2-CZ 3.7Å; E503-F538 HydrophobicContact CB-CD2 3.8Å; E503-F538 HydrophobicContact CB-CE2 3.78Å; E503-F538 HydrophobicContact CB-CG 4.4Å; E503-F538 HydrophobicContact CB-CZ 4.36Å; E503-F538 HydrophobicContact CG-CB 4.35Å; E503-F538 HydrophobicContact CG-CD1 4.11Å; E503-F538 HydrophobicContact CG-CD2 3.75Å; E503-F538 HydrophobicContact CG-CE1 4.27Å; E503-F538 HydrophobicContact CG-CE2 3.92Å; E503-F538 HydrophobicContact CG-CG 3.83Å; E503-F538 HydrophobicContact CG-CZ 4.17Å; E503-F538 WeakPolarHBondContact OE1-CA 3.39Å; E503-F538 WeakPolarHBondContact OE1-CB 3.18Å; L506-F538 HydrophobicContact CB-CZ 4.42Å; L506-F538 HydrophobicContact CD1-CZ 4.14Å; L506-F538 HydrophobicContact CD2-CE2 4.06Å; L506-F538 HydrophobicContact CD2-CZ 3.9Å; L506-F538 HydrophobicContact CG-CZ 4.37Å; I507-F538 HydrophobicContact CD1-CD2 4.32Å; I507-F538 HydrophobicContact CD1-CE2 4.38Å; I507-F538 HydrophobicContact CG1-CE2 4.25Å; L534-F538 HydrophobicContact CB-CD2 4.34Å; L534-F538 HydrophobicContact CD1-CE2 4.19Å; L534-F538 HydrophobicContact CD1-CZ 4.36Å; L534-F538 HydrophobicContact CD2-CD1 4.14Å; L534-F538 HydrophobicContact CD2-CE1 3.7Å; L534-F538 HydrophobicContact CD2-CE2 4.19Å; L534-F538 HydrophobicContact CD2-CZ 3.75Å; L534-F538 WeakPolarHBondContact O-CB 3.44Å; L534-F538 PolarHBondContact O-N 2.84Å |
| 539 | T | 76.5 | Confident | 86.5 | Confident | 69 Ų | 69 | 44.9 Ų | 44.9 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | trans | -59.9 | 150.6 | 171.8 | 70.4 | 0 | 0 | 0 | 0 | 111.1 | E503 T541 | E503-T539 WeakPolarHBondContact OE1-CG2 3.26Å; E503-T539 PolarHBondContact OE1-N 3.04Å; E503-T539 PolarHBondContact OE1-OG1 2.98Å; E503-T539 PolarHBondContact OE2-OG1 2.93Å; T539-T541 PolarHBondContact O-N 2.5Å; T539-T541 WeakPolarHBondContact OG1-CB 3.4Å; T539-T541 PolarHBondContact OG1-OG1 3.2Å | ||
| 540 | P | 74.6 | Confident | 86.4 | Confident | 112 Ų | 112 | 42.4 Ų | 42.4 | 73% | 0.727 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -62.6 | -11 | 179.9 | 24.7 | -34.5 | 0 | 0 | 0 | 113.9 | H542 L543 | P540-H542 VanDerWaalsContact C-N 3.27Å; P540-H542 PolarHBondContact O-N 2.93Å; P540-L543 WeakPolarHBondContact O-CB 3.37Å; P540-L543 PolarHBondContact O-N 3.24Å |
| 541 | T | 79.4 | Confident | 86.4 | Confident | 108 Ų | 108 | 50.1 Ų | 50.1 | 66% | 0.663 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -52.2 | -37.8 | -179.5 | -37.2 | 0 | 0 | 0 | 0 | 114 | T539 | T539-T541 PolarHBondContact O-N 2.5Å; T539-T541 WeakPolarHBondContact OG1-CB 3.4Å; T539-T541 PolarHBondContact OG1-OG1 3.2Å |
| 542 | H | 81.8 | Confident | 86.3 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -111.6 | 10.8 | -177.3 | -63.2 | -51.5 | 0 | 0 | 0 | 114.2 | E503 I507 P540 E544 K545 L546 | E503-H542 IonicContact OE2-CD2 3.69Å; E503-H542 PolarHBondContact OE2-CD2 2.91Å; I507-H542 HydrophobicContact CD1-CB 3.58Å; P540-H542 VanDerWaalsContact C-N 3.27Å; P540-H542 PolarHBondContact O-N 2.93Å; H542-E544 VanDerWaalsContact C-N 3.32Å; H542-E544 PolarHBondContact O-N 3.32Å; H542-K545 PolarHBondContact O-N 3.05Å; H542-K545 VanDerWaalsContact O-N 3.15Å; H542-L546 PolarHBondContact O-N 3.44Å; H542-L546 VanDerWaalsContact O-N 3.09Å |
| 543 | L | 83.1 | Confident | 86.2 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59 | -38.4 | -175.7 | -177.7 | 62.9 | 0 | 0 | 0 | 113.2 | T535 P540 L546 K547 | T535-L543 HydrophobicContact CG2-CD1 3.95Å; P540-L543 WeakPolarHBondContact O-CB 3.37Å; P540-L543 PolarHBondContact O-N 3.24Å; L543-L546 PolarHBondContact O-N 3.34Å; L543-K547 HydrophobicContact CG-CD 4.38Å; L543-K547 WeakPolarHBondContact O-CG 3.32Å; L543-K547 PolarHBondContact O-N 3.1Å |
| 544 | E | 86.1 | Confident | 86.1 | Confident | 124 Ų | 124 | 57.3 Ų | 57.3 | 58% | 0.579 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -69 | -36.9 | 178.7 | -61.4 | -48.8 | 120.4 | 0 | 0 | 112.5 | H542 K547 E548 | H542-E544 VanDerWaalsContact C-N 3.32Å; H542-E544 PolarHBondContact O-N 3.32Å; E544-K547 PolarHBondContact O-N 3.3Å; E544-K547 IonicContact OE1-NZ 3.43Å; E544-K547 PolarHBondContact OE1-NZ 3.43Å; E544-K547 IonicContact OE2-NZ 2.65Å; E544-E548 WeakPolarHBondContact O-CB 3.43Å; E544-E548 PolarHBondContact O-N 3.31Å |
| 545 | K | 87.8 | Confident | 86.2 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 24% | 0.243 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -38 | 174.2 | -170.3 | 176.6 | 179.6 | -173.9 | 0 | 111.3 | L504 I507 T508 H542 E548 L549 | L504-K545 HydrophobicContact CD1-CD 4.32Å; I507-K545 HydrophobicContact CG2-CD 3.81Å; I507-K545 HydrophobicContact CG2-CG 4.04Å; T508-K545 PolarHBondContact OG1-NZ 2.92Å; H542-K545 PolarHBondContact O-N 3.05Å; H542-K545 VanDerWaalsContact O-N 3.15Å; K545-E548 PolarHBondContact O-N 3.43Å; K545-L549 WeakPolarHBondContact O-CG 3.29Å; K545-L549 PolarHBondContact O-N 3.33Å; K545-L549 VanDerWaalsContact O-N 3.14Å |
| 546 | L | 88.6 | Confident | 86.3 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 172.5 | -71.5 | 171.9 | 0 | 0 | 0 | 111.4 | I507 L531 L534 T535 H542 L543 E548 L549 I550 | I507-L546 HydrophobicContact CD1-CD1 4.48Å; I507-L546 HydrophobicContact CD1-CD2 3.92Å; I507-L546 HydrophobicContact CD1-CG 3.96Å; I507-L546 HydrophobicContact CG1-CD2 3.78Å; I507-L546 HydrophobicContact CG1-CG 4.38Å; L531-L546 HydrophobicContact CD2-CD2 3.64Å; L534-L546 HydrophobicContact CB-CD1 4.18Å; L534-L546 HydrophobicContact CB-CD2 4.32Å; T535-L546 HydrophobicContact CG2-CB 4Å; T535-L546 HydrophobicContact CG2-CD1 4.04Å; H542-L546 PolarHBondContact O-N 3.44Å; H542-L546 VanDerWaalsContact O-N 3.09Å; L543-L546 PolarHBondContact O-N 3.34Å; L546-E548 PolarHBondContact O-N 3.03Å; L546-L549 PolarHBondContact O-N 3.17Å; L546-I550 WeakPolarHBondContact O-CD1 3.41Å; L546-I550 VanDerWaalsContact O-CG1 3.24Å; L546-I550 WeakPolarHBondContact O-CG1 3.49Å; L546-I550 PolarHBondContact O-N 3.38Å |
| 547 | K | 89.2 | Confident | 86.6 | Confident | 59 Ų | 59 | 70.1 Ų | 70.1 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 176.6 | -73.7 | 168.4 | 179.4 | 169.4 | 0 | 112.7 | L543 E544 I550 R551 C572 | L543-K547 HydrophobicContact CG-CD 4.38Å; L543-K547 WeakPolarHBondContact O-CG 3.32Å; L543-K547 PolarHBondContact O-N 3.1Å; E544-K547 PolarHBondContact O-N 3.3Å; E544-K547 IonicContact OE1-NZ 3.43Å; E544-K547 PolarHBondContact OE1-NZ 3.43Å; E544-K547 IonicContact OE2-NZ 2.65Å; K547-I550 PolarHBondContact O-N 3.06Å; K547-R551 VanDerWaalsContact O-CB 3.29Å; K547-R551 WeakPolarHBondContact O-CB 3.4Å; K547-R551 PolarHBondContact O-N 2.81Å; K547-C572 HydrophobicContact CG-CB 4.15Å |
| 548 | E | 90.5 | Very high | 87 | Confident | 138 Ų | 138 | 70.3 Ų | 70.3 | 65% | 0.645 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.1 | -49.7 | 176.2 | -174.2 | -176.9 | -174.5 | 0 | 0 | 111.2 | E544 K545 L546 I550 R551 F552 | E544-E548 WeakPolarHBondContact O-CB 3.43Å; E544-E548 PolarHBondContact O-N 3.31Å; K545-E548 PolarHBondContact O-N 3.43Å; L546-E548 PolarHBondContact O-N 3.03Å; E548-I550 PolarHBondContact O-N 3.48Å; E548-R551 PolarHBondContact O-N 3.13Å; E548-F552 PolarHBondContact O-N 2.86Å |
| 549 | L | 90.4 | Very high | 87.4 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 5% | 0.052 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 178.3 | -66.9 | 174.2 | 0 | 0 | 0 | 113 | I507 Q511 L531 K545 L546 F552 | I507-L549 HydrophobicContact CG2-CD1 3.61Å; Q511-L549 HydrophobicContact CB-CD1 4.04Å; Q511-L549 HydrophobicContact CB-CD2 4.03Å; Q511-L549 HydrophobicContact CG-CD2 3.64Å; L531-L549 HydrophobicContact CD1-CB 3.89Å; L531-L549 HydrophobicContact CD2-CB 4.46Å; L531-L549 HydrophobicContact CD2-CD1 4.13Å; K545-L549 WeakPolarHBondContact O-CG 3.29Å; K545-L549 PolarHBondContact O-N 3.33Å; K545-L549 VanDerWaalsContact O-N 3.14Å; L546-L549 PolarHBondContact O-N 3.17Å; L549-F552 VanDerWaalsContact O-CB 3.29Å; L549-F552 WeakPolarHBondContact O-CB 3.21Å; L549-F552 PolarHBondContact O-N 3.23Å |
| 550 | I | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 174.5 | -68.3 | 163.8 | 0 | 0 | 0 | 110.5 | L531 V532 T535 L546 K547 E548 F552 S565 | L531-I550 HydrophobicContact CB-CD1 4.22Å; L531-I550 HydrophobicContact CB-CG1 3.75Å; V532-I550 HydrophobicContact CB-CD1 4.12Å; T535-I550 HydrophobicContact CG2-CD1 4.03Å; L546-I550 WeakPolarHBondContact O-CD1 3.41Å; L546-I550 VanDerWaalsContact O-CG1 3.24Å; L546-I550 WeakPolarHBondContact O-CG1 3.49Å; L546-I550 PolarHBondContact O-N 3.38Å; K547-I550 PolarHBondContact O-N 3.06Å; E548-I550 PolarHBondContact O-N 3.48Å; I550-F552 VanDerWaalsContact C-N 3.31Å; I550-F552 PolarHBondContact O-N 2.76Å; I550-S565 WeakPolarHBondContact O-CB 3.18Å; I550-S565 PolarHBondContact O-OG 2.94Å |
| 551 | R | 92.1 | Very high | 89 | Confident | 164 Ų | 164 | 70.5 Ų | 70.5 | 62% | 0.619 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -75.3 | -15.9 | -179.1 | -174 | 170.3 | 177.8 | 163.4 | 1.1 | 114 | K547 E548 Y553 S554 S565 | K547-R551 VanDerWaalsContact O-CB 3.29Å; K547-R551 WeakPolarHBondContact O-CB 3.4Å; K547-R551 PolarHBondContact O-N 2.81Å; E548-R551 PolarHBondContact O-N 3.13Å; R551-Y553 PolarHBondContact O-N 3.39Å; R551-S554 WeakPolarHBondContact O-CB 3.49Å; R551-S554 PolarHBondContact O-N 3.05Å; R551-S554 PolarHBondContact O-OG 2.92Å; R551-S565 PolarHBondContact O-OG 3.45Å |
| 552 | F | 89.9 | Confident | 89.8 | Confident | 119 Ų | 119 | 68.3 Ų | 68.3 | 52% | 0.522 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -30.1 | -176.3 | -172.8 | -101.1 | 0 | 0 | 0 | 114 | E548 L549 I550 | E548-F552 PolarHBondContact O-N 2.86Å; L549-F552 VanDerWaalsContact O-CB 3.29Å; L549-F552 WeakPolarHBondContact O-CB 3.21Å; L549-F552 PolarHBondContact O-N 3.23Å; I550-F552 VanDerWaalsContact C-N 3.31Å; I550-F552 PolarHBondContact O-N 2.76Å |
| 553 | Y | 89.6 | Confident | 90.4 | Very high | 20 Ų | 20 | 70.7 Ų | 70.7 | 8% | 0.078 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 11.9 | 179.4 | -71.4 | -48.1 | 0 | 0 | 0 | 115.5 | L514 I528 R551 T555 N556 Q562 S565 | L514-Y553 HydrophobicContact CD1-CD2 4.21Å; L514-Y553 HydrophobicContact CD1-CE2 3.58Å; L514-Y553 HydrophobicContact CD2-CE2 4.16Å; L514-Y553 HydrophobicContact CG-CD2 4.46Å; L514-Y553 HydrophobicContact CG-CE2 3.66Å; L514-Y553 PolarHBondContact O-OH 3.17Å; L514-Y553 VanDerWaalsContact O-OH 3.09Å; I528-Y553 HydrophobicContact CD1-CD2 3.74Å; I528-Y553 HydrophobicContact CD1-CE2 4.37Å; I528-Y553 HydrophobicContact CG1-CD2 4.46Å; R551-Y553 PolarHBondContact O-N 3.39Å; Y553-T555 PolarHBondContact O-N 2.66Å; Y553-N556 HydrophobicContact CD1-CB 3.87Å; Y553-N556 WeakPolarHBondContact CD1-ND2 3.3Å; Y553-N556 HydrophobicContact CG-CB 4.32Å; Y553-N556 VanDerWaalsContact O-CB 3.3Å; Y553-N556 WeakPolarHBondContact O-CB 3.37Å; Y553-N556 PolarHBondContact O-N 3.02Å; Y553-Q562 WeakPolarHBondContact O-CA 3.48Å; Y553-S565 VanDerWaalsContact C-OG 3.32Å |
| 554 | S | 89.3 | Confident | 90.9 | Very high | 32 Ų | 32 | 72.3 Ų | 72.3 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.7 | -176.6 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | R551 Q562 S565 | R551-S554 WeakPolarHBondContact O-CB 3.49Å; R551-S554 PolarHBondContact O-N 3.05Å; R551-S554 PolarHBondContact O-OG 2.92Å; S554-Q562 WeakPolarHBondContact O-CG 3.27Å; S554-Q562 PolarHBondContact O-NE2 2.67Å; S554-S565 WeakPolarHBondContact CA-OG 3.4Å; S554-S565 PolarHBondContact N-OG 3.32Å |
| 555 | T | 90.3 | Very high | 91.2 | Very high | 123 Ų | 123 | 66.4 Ų | 66.4 | 76% | 0.755 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | 25.2 | 172.9 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | Y553 | Y553-T555 PolarHBondContact O-N 2.66Š|
| 556 | N | 91 | Very high | 91.5 | Very high | 50 Ų | 50 | 67.3 Ų | 67.3 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | trans | -74.8 | 149.3 | 179 | -161.6 | -96.2 | 0 | 0 | 0 | 112.4 | Y553 N558 | Y553-N556 HydrophobicContact CD1-CB 3.87Å; Y553-N556 WeakPolarHBondContact CD1-ND2 3.3Å; Y553-N556 HydrophobicContact CG-CB 4.32Å; Y553-N556 VanDerWaalsContact O-CB 3.3Å; Y553-N556 WeakPolarHBondContact O-CB 3.37Å; Y553-N556 PolarHBondContact O-N 3.02Å; N556-N558 VanDerWaalsContact C-N 3.27Å; N556-N558 PolarHBondContact O-N 3.42Å; N556-N558 VanDerWaalsContact OD1-CB 3.3Å; N556-N558 WeakPolarHBondContact OD1-CB 3.38Å; N556-N558 PolarHBondContact OD1-N 2.9Å | ||
| 557 | V | 91.2 | Very high | 91.7 | Very high | 142 Ų | 142 | 71.6 Ų | 71.6 | 86% | 0.861 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -67.9 | -27.3 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 112 | L559 | V557-L559 PolarHBondContact O-N 3.23Š|
| 558 | N | 91.6 | Very high | 91.9 | Very high | 53 Ų | 53 | 70.2 Ų | 70.2 | 28% | 0.283 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -79.9 | 108.8 | 174.5 | -172.8 | -82.9 | 0 | 0 | 0 | 110.5 | N556 E560 L561 Q562 | N556-N558 VanDerWaalsContact C-N 3.27Å; N556-N558 PolarHBondContact O-N 3.42Å; N556-N558 VanDerWaalsContact OD1-CB 3.3Å; N556-N558 WeakPolarHBondContact OD1-CB 3.38Å; N556-N558 PolarHBondContact OD1-N 2.9Å; N558-E560 VanDerWaalsContact C-N 3.28Å; N558-E560 PolarHBondContact O-N 3.39Å; N558-E560 PolarHBondContact OD1-N 3.41Å; N558-L561 HydrophobicContact CB-CB 4.3Å; N558-L561 HydrophobicContact CB-CD1 4.12Å; N558-L561 HydrophobicContact CB-CG 4.23Å; N558-L561 PolarHBondContact O-N 2.91Å; N558-L561 PolarHBondContact OD1-N 3.43Å; N558-L561 VanDerWaalsContact OD1-N 3.1Å; N558-Q562 WeakPolarHBondContact O-CB 3.33Å; N558-Q562 PolarHBondContact O-N 3.06Å |
| 559 | L | 92.6 | Very high | 91.9 | Very high | 130 Ų | 130 | 65.1 Ų | 65.1 | 68% | 0.681 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.6 | -36.5 | -175.8 | -62.3 | 178.4 | 0 | 0 | 0 | 113.7 | V557 Q562 Q563 | V557-L559 PolarHBondContact O-N 3.23Å; L559-Q562 PolarHBondContact O-N 3.42Å; L559-Q563 VanDerWaalsContact O-CB 3.24Å; L559-Q563 WeakPolarHBondContact O-CB 3.18Å; L559-Q563 PolarHBondContact O-N 3.19Å |
| 560 | E | 92.3 | Very high | 91.9 | Very high | 67 Ų | 67 | 71 Ų | 71 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -72.1 | -38.1 | -178.9 | 176.5 | 61.2 | -161.4 | 0 | 0 | 112.1 | Q525 N558 R564 | Q525-E560 HydrophobicContact CG-CG 4.02Å; N558-E560 VanDerWaalsContact C-N 3.28Å; N558-E560 PolarHBondContact O-N 3.39Å; N558-E560 PolarHBondContact OD1-N 3.41Å; E560-R564 WeakPolarHBondContact O-CG 3.25Å; E560-R564 PolarHBondContact O-N 3.09Å; E560-R564 IonicContact OE1-CZ 3.17Å; E560-R564 IonicContact OE1-NE 2.73Å; E560-R564 PolarHBondContact OE1-NE 2.91Å; E560-R564 IonicContact OE1-NH2 2.75Å; E560-R564 PolarHBondContact OE1-NH2 3.06Å |
| 561 | L | 92.4 | Very high | 91.8 | Very high | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.4 | -38.6 | 170.4 | -63.8 | 179.4 | 0 | 0 | 0 | 111.5 | V521 K524 Q525 I528 N558 S565 | V521-L561 HydrophobicContact CG1-CD1 4.22Å; V521-L561 HydrophobicContact CG1-CD2 4.3Å; V521-L561 HydrophobicContact CG1-CG 4.03Å; K524-L561 HydrophobicContact CB-CD1 4.19Å; K524-L561 HydrophobicContact CB-CD2 3.69Å; K524-L561 HydrophobicContact CD-CD1 4.31Å; Q525-L561 HydrophobicContact CB-CD2 4.49Å; Q525-L561 HydrophobicContact CG-CD2 3.76Å; I528-L561 HydrophobicContact CD1-CD2 3.72Å; N558-L561 HydrophobicContact CB-CB 4.3Å; N558-L561 HydrophobicContact CB-CD1 4.12Å; N558-L561 HydrophobicContact CB-CG 4.23Å; N558-L561 PolarHBondContact O-N 2.91Å; N558-L561 PolarHBondContact OD1-N 3.43Å; N558-L561 VanDerWaalsContact OD1-N 3.1Å; L561-S565 VanDerWaalsContact O-CB 3.22Å; L561-S565 WeakPolarHBondContact O-CB 3.48Å; L561-S565 PolarHBondContact O-N 3.14Å |
| 562 | Q | 95.2 | Very high | 91.5 | Very high | 61 Ų | 61 | 65.3 Ų | 65.3 | 29% | 0.285 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -49.4 | 177.2 | -178.4 | 177.8 | 46.9 | 0 | 0 | 111.8 | Y553 S554 N558 L559 S565 V566 | Y553-Q562 WeakPolarHBondContact O-CA 3.48Å; S554-Q562 WeakPolarHBondContact O-CG 3.27Å; S554-Q562 PolarHBondContact O-NE2 2.67Å; N558-Q562 WeakPolarHBondContact O-CB 3.33Å; N558-Q562 PolarHBondContact O-N 3.06Å; L559-Q562 PolarHBondContact O-N 3.42Å; Q562-S565 WeakPolarHBondContact O-CB 3.38Å; Q562-S565 PolarHBondContact O-N 2.93Å; Q562-V566 WeakPolarHBondContact O-CG2 3.5Å; Q562-V566 PolarHBondContact O-N 3.44Å |
| 563 | Q | 94.5 | Very high | 91.3 | Very high | 100 Ų | 100 | 63.8 Ų | 63.8 | 47% | 0.467 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.3 | -51.6 | -179.5 | -178.6 | 172.8 | -9.4 | 0 | 0 | 110.5 | L559 S565 V566 E567 | L559-Q563 VanDerWaalsContact O-CB 3.24Å; L559-Q563 WeakPolarHBondContact O-CB 3.18Å; L559-Q563 PolarHBondContact O-N 3.19Å; Q563-S565 VanDerWaalsContact C-N 3.31Å; Q563-S565 PolarHBondContact O-N 2.85Å; Q563-V566 PolarHBondContact O-N 3.34Å; Q563-E567 HydrophobicContact CG-CG 4.28Å; Q563-E567 WeakPolarHBondContact CG-OE1 3.47Å; Q563-E567 PolarHBondContact NE2-OE1 2.99Å; Q563-E567 WeakPolarHBondContact O-CB 3.22Å; Q563-E567 WeakPolarHBondContact O-CG 3.28Å; Q563-E567 PolarHBondContact O-N 3.09Å |
| 564 | R | 93.8 | Very high | 91.2 | Very high | 62 Ų | 62 | 66.5 Ų | 66.5 | 23% | 0.234 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 174.4 | -71.1 | -179.4 | -171.3 | -102.4 | -4.8 | 112.5 | I528 E560 V566 Y568 | I528-R564 HydrophobicContact CG2-CB 4.13Å; E560-R564 WeakPolarHBondContact O-CG 3.25Å; E560-R564 PolarHBondContact O-N 3.09Å; E560-R564 IonicContact OE1-CZ 3.17Å; E560-R564 IonicContact OE1-NE 2.73Å; E560-R564 PolarHBondContact OE1-NE 2.91Å; E560-R564 IonicContact OE1-NH2 2.75Å; E560-R564 PolarHBondContact OE1-NH2 3.06Å; R564-V566 PolarHBondContact O-N 3.49Å; R564-Y568 HydrophobicContact CB-CD2 4.41Å; R564-Y568 HydrophobicContact CB-CE2 4.13Å; R564-Y568 HydrophobicContact CG-CE2 4.38Å; R564-Y568 PolarHBondContact NH1-OH 3.29Å; R564-Y568 WeakPolarHBondContact O-CB 3.36Å; R564-Y568 PolarHBondContact O-N 3.09Å |
| 565 | S | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 178.2 | -179 | 0 | 0 | 0 | 0 | 112.3 | I550 R551 Y553 S554 L561 Q562 Q563 S569 | I550-S565 WeakPolarHBondContact O-CB 3.18Å; I550-S565 PolarHBondContact O-OG 2.94Å; R551-S565 PolarHBondContact O-OG 3.45Å; Y553-S565 VanDerWaalsContact C-OG 3.32Å; S554-S565 WeakPolarHBondContact CA-OG 3.4Å; S554-S565 PolarHBondContact N-OG 3.32Å; L561-S565 VanDerWaalsContact O-CB 3.22Å; L561-S565 WeakPolarHBondContact O-CB 3.48Å; L561-S565 PolarHBondContact O-N 3.14Å; Q562-S565 WeakPolarHBondContact O-CB 3.38Å; Q562-S565 PolarHBondContact O-N 2.93Å; Q563-S565 VanDerWaalsContact C-N 3.31Å; Q563-S565 PolarHBondContact O-N 2.85Å; S565-S569 WeakPolarHBondContact O-CB 3.17Å; S565-S569 PolarHBondContact O-N 3.47Å |
| 566 | V | 93.7 | Very high | 90.3 | Very high | 76 Ų | 76 | 67.2 Ų | 67.2 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.9 | -48.4 | 179.8 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | Q562 Q563 R564 S569 K570 | Q562-V566 WeakPolarHBondContact O-CG2 3.5Å; Q562-V566 PolarHBondContact O-N 3.44Å; Q563-V566 PolarHBondContact O-N 3.34Å; R564-V566 PolarHBondContact O-N 3.49Å; V566-S569 PolarHBondContact O-N 3.04Å; V566-K570 PolarHBondContact O-N 2.85Å |
| 567 | E | 93.9 | Very high | 89.8 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 179.8 | -72 | 179.2 | -171.5 | 0 | 0 | 111.7 | Q563 S569 K570 I571 | Q563-E567 HydrophobicContact CG-CG 4.28Å; Q563-E567 WeakPolarHBondContact CG-OE1 3.47Å; Q563-E567 PolarHBondContact NE2-OE1 2.99Å; Q563-E567 WeakPolarHBondContact O-CB 3.22Å; Q563-E567 WeakPolarHBondContact O-CG 3.28Å; Q563-E567 PolarHBondContact O-N 3.09Å; E567-S569 PolarHBondContact O-N 3.27Å; E567-K570 CarbonylContact O-C 3.59Å; E567-K570 WeakPolarHBondContact O-CA 3.35Å; E567-K570 WeakPolarHBondContact O-CB 3.18Å; E567-K570 PolarHBondContact O-N 3.43Å; E567-I571 WeakPolarHBondContact O-CG1 3.35Å; E567-I571 PolarHBondContact O-N 3.28Å |
| 568 | Y | 93.1 | Very high | 89.4 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 11% | 0.114 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.2 | -33.3 | 179.8 | -63.2 | -1.6 | 0 | 0 | 0 | 111.4 | I528 N529 V532 R564 K570 I571 C572 | I528-Y568 HydrophobicContact CG2-CD2 3.56Å; I528-Y568 HydrophobicContact CG2-CE2 3.84Å; N529-Y568 HydrophobicContact CB-CE2 4.31Å; N529-Y568 PolarHBondContact OD1-OH 3.05Å; V532-Y568 HydrophobicContact CB-CD2 3.78Å; V532-Y568 HydrophobicContact CB-CG 4.03Å; V532-Y568 HydrophobicContact CG1-CD2 3.41Å; V532-Y568 VanDerWaalsContact CG1-CD2 3.41Å; V532-Y568 HydrophobicContact CG1-CE2 3.7Å; V532-Y568 HydrophobicContact CG1-CG 3.9Å; V532-Y568 HydrophobicContact CG2-CD2 4.4Å; V532-Y568 HydrophobicContact CG2-CG 4.15Å; R564-Y568 HydrophobicContact CB-CD2 4.41Å; R564-Y568 HydrophobicContact CB-CE2 4.13Å; R564-Y568 HydrophobicContact CG-CE2 4.38Å; R564-Y568 PolarHBondContact NH1-OH 3.29Å; R564-Y568 WeakPolarHBondContact O-CB 3.36Å; R564-Y568 PolarHBondContact O-N 3.09Å; Y568-K570 VanDerWaalsContact C-N 3.25Å; Y568-K570 PolarHBondContact O-N 2.97Å; Y568-I571 HydrophobicContact CD1-CD1 4.05Å; Y568-I571 PolarHBondContact O-N 3.17Å; Y568-C572 WeakPolarHBondContact O-CB 3.29Å; Y568-C572 PolarHBondContact O-N 2.7Å; Y568-C572 PolarHBondContact O-SG 3.47Å |
| 569 | S | 90 | Very high | 89 | Confident | 31 Ų | 31 | 65.7 Ų | 65.7 | 22% | 0.217 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -34.4 | 169.2 | -176 | 0 | 0 | 0 | 0 | 111.7 | S565 V566 E567 S573 | S565-S569 WeakPolarHBondContact O-CB 3.17Å; S565-S569 PolarHBondContact O-N 3.47Å; V566-S569 PolarHBondContact O-N 3.04Å; E567-S569 PolarHBondContact O-N 3.27Å; S569-S573 PolarHBondContact O-N 3.01Å; S569-S573 PolarHBondContact O-OG 3.03Å |
| 570 | K | 89.7 | Confident | 88.3 | Confident | 135 Ų | 135 | 61 Ų | 61 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -73 | -39.8 | 174.4 | -172.7 | 62.5 | 178.2 | -178.8 | 0 | 111.9 | V566 E567 Y568 S573 | V566-K570 PolarHBondContact O-N 2.85Å; E567-K570 CarbonylContact O-C 3.59Å; E567-K570 WeakPolarHBondContact O-CA 3.35Å; E567-K570 WeakPolarHBondContact O-CB 3.18Å; E567-K570 PolarHBondContact O-N 3.43Å; Y568-K570 VanDerWaalsContact C-N 3.25Å; Y568-K570 PolarHBondContact O-N 2.97Å; K570-S573 VanDerWaalsContact O-CB 3.31Å; K570-S573 WeakPolarHBondContact O-CB 3.39Å; K570-S573 PolarHBondContact O-N 2.67Å; K570-S573 VanDerWaalsContact O-N 3.1Å |
| 571 | I | 88.4 | Confident | 87.8 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 20% | 0.195 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 172.8 | -68.8 | 167.8 | 0 | 0 | 0 | 110.4 | V532 E567 Y568 S573 Q574 R579 L582 L583 | V532-I571 HydrophobicContact CG2-CG2 4.43Å; E567-I571 WeakPolarHBondContact O-CG1 3.35Å; E567-I571 PolarHBondContact O-N 3.28Å; Y568-I571 HydrophobicContact CD1-CD1 4.05Å; Y568-I571 PolarHBondContact O-N 3.17Å; I571-S573 PolarHBondContact O-N 2.97Å; I571-Q574 VanDerWaalsContact O-CB 3.27Å; I571-Q574 WeakPolarHBondContact O-CB 3.43Å; I571-Q574 PolarHBondContact O-N 3Å; I571-R579 HydrophobicContact CG2-CG 4.27Å; I571-R579 VanDerWaalsContact O-CD 3.23Å; I571-R579 WeakPolarHBondContact O-CD 3.41Å; I571-R579 WeakPolarHBondContact O-CG 3.43Å; I571-L582 HydrophobicContact CD1-CD2 3.94Å; I571-L582 HydrophobicContact CG1-CD2 4.14Å; I571-L582 HydrophobicContact CG2-CD2 4.03Å; I571-L583 HydrophobicContact CG2-CD1 4.28Å |
| 572 | C | 86.1 | Confident | 87.5 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 4% | 0.041 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.1 | 175.3 | -68 | 0 | 0 | 0 | 0 | 114.3 | K547 Y568 | K547-C572 HydrophobicContact CG-CB 4.15Å; Y568-C572 WeakPolarHBondContact O-CB 3.29Å; Y568-C572 PolarHBondContact O-N 2.7Å; Y568-C572 PolarHBondContact O-SG 3.47Å |
| 573 | S | 85.4 | Confident | 87 | Confident | 86 Ų | 86 | 63 Ų | 63 | 60% | 0.601 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -5.9 | 174.4 | -50.5 | 0 | 0 | 0 | 0 | 113.3 | S569 K570 I571 | S569-S573 PolarHBondContact O-N 3.01Å; S569-S573 PolarHBondContact O-OG 3.03Å; K570-S573 VanDerWaalsContact O-CB 3.31Å; K570-S573 WeakPolarHBondContact O-CB 3.39Å; K570-S573 PolarHBondContact O-N 2.67Å; K570-S573 VanDerWaalsContact O-N 3.1Å; I571-S573 PolarHBondContact O-N 2.97Å |
| 574 | Q | 87.6 | Confident | 86.5 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -85.6 | 154.5 | 179.5 | -61 | -63.5 | -12.2 | 0 | 0 | 111.8 | I571 R579 | I571-Q574 VanDerWaalsContact O-CB 3.27Å; I571-Q574 WeakPolarHBondContact O-CB 3.43Å; I571-Q574 PolarHBondContact O-N 3Å; Q574-R579 HydrophobicContact CB-CG 4.12Å; Q574-R579 WeakPolarHBondContact O-CD 3.46Å; Q574-R579 PolarHBondContact O-NE 3.39Å |
| 575 | P | 82.7 | Confident | 85.9 | Confident | 69 Ų | 69 | 62.7 Ų | 62.7 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | trans | -59.7 | 150.4 | 176 | 25.4 | -35.3 | 0 | 0 | 0 | 112.2 | S577 I578 R579 | P575-S577 PolarHBondContact O-N 2.84Å; P575-S577 VanDerWaalsContact O-N 3.15Å; P575-I578 HydrophobicContact CG-CD1 3.87Å; P575-I578 HydrophobicContact CG-CG1 4.13Å; P575-I578 PolarHBondContact O-N 3.49Å; P575-I578 VanDerWaalsContact O-N 3.07Å; P575-R579 PolarHBondContact O-N 3.13Å; P575-R579 VanDerWaalsContact O-N 3.16Å | ||
| 576 | I | 78.4 | Confident | 85.3 | Confident | 101 Ų | 101 | 67 Ų | 67 | 52% | 0.518 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.2 | -32.3 | -177 | -168.9 | 69.7 | 0 | 0 | 0 | 112.7 | T536 I578 R579 G580 | T536-I576 HydrophobicContact CG2-CD1 4.17Å; I576-I578 VanDerWaalsContact C-N 3.31Å; I576-I578 PolarHBondContact O-N 2.77Å; I576-R579 PolarHBondContact O-N 3.28Å; I576-G580 PolarHBondContact O-N 2.97Å |
| 577 | S | 80.6 | Confident | 84.6 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 69% | 0.685 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.4 | -33.5 | 177.8 | 49.8 | 0 | 0 | 0 | 0 | 114 | P575 | P575-S577 PolarHBondContact O-N 2.84Å; P575-S577 VanDerWaalsContact O-N 3.15Å |
| 578 | I | 83.6 | Confident | 83.8 | Confident | 93 Ų | 93 | 67.4 Ų | 67.4 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -84.2 | -43.4 | 175.1 | -60.3 | 176 | 0 | 0 | 0 | 109.8 | P575 I576 G580 L582 | P575-I578 HydrophobicContact CG-CD1 3.87Å; P575-I578 HydrophobicContact CG-CG1 4.13Å; P575-I578 PolarHBondContact O-N 3.49Å; P575-I578 VanDerWaalsContact O-N 3.07Å; I576-I578 VanDerWaalsContact C-N 3.31Å; I576-I578 PolarHBondContact O-N 2.77Å; I578-G580 VanDerWaalsContact C-N 3.35Å; I578-G580 PolarHBondContact O-N 2.89Å; I578-L582 WeakPolarHBondContact O-CB 3.31Å; I578-L582 PolarHBondContact O-N 3.35Å; I578-L582 VanDerWaalsContact O-N 3.15Å |
| 579 | R | 83 | Confident | 82.5 | Confident | 22 Ų | 22 | 68 Ų | 68 | 8% | 0.083 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | -178.7 | -67.5 | -168.8 | -70.6 | 124.8 | -1 | 112.5 | T535 T536 I571 Q574 P575 I576 L582 L583 | T535-R579 PolarHBondContact O-NH1 3.2Å; T535-R579 PolarHBondContact OG1-NH1 2.96Å; T536-R579 HydrophobicContact CG2-CB 3.67Å; I571-R579 HydrophobicContact CG2-CG 4.27Å; I571-R579 VanDerWaalsContact O-CD 3.23Å; I571-R579 WeakPolarHBondContact O-CD 3.41Å; I571-R579 WeakPolarHBondContact O-CG 3.43Å; Q574-R579 HydrophobicContact CB-CG 4.12Å; Q574-R579 WeakPolarHBondContact O-CD 3.46Å; Q574-R579 PolarHBondContact O-NE 3.39Å; P575-R579 PolarHBondContact O-N 3.13Å; P575-R579 VanDerWaalsContact O-N 3.16Å; I576-R579 PolarHBondContact O-N 3.28Å; R579-L582 PolarHBondContact O-N 2.96Å; R579-L583 HydrophobicContact CB-CD1 4.32Å; R579-L583 VanDerWaalsContact O-CB 3.31Å; R579-L583 WeakPolarHBondContact O-CB 3.17Å; R579-L583 WeakPolarHBondContact O-CG 3.48Å; R579-L583 PolarHBondContact O-N 3.39Å |
| 580 | G | 78.4 | Confident | 81 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58 | -49.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I576 I578 D584 | I576-G580 PolarHBondContact O-N 2.97Å; I578-G580 VanDerWaalsContact C-N 3.35Å; I578-G580 PolarHBondContact O-N 2.89Å; G580-D584 PolarHBondContact O-N 3.43Å |
| 581 | G | 81.3 | Confident | 79.4 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 61% | 0.608 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -72.7 | -28.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 582 | L | 84.7 | Confident | 77.4 | Confident | 106 Ų | 106 | 73.7 Ų | 73.7 | 56% | 0.555 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -76.3 | -31.5 | 177.9 | -178.7 | 61.9 | 0 | 0 | 0 | 113 | I571 I578 R579 | I571-L582 HydrophobicContact CD1-CD2 3.94Å; I571-L582 HydrophobicContact CG1-CD2 4.14Å; I571-L582 HydrophobicContact CG2-CD2 4.03Å; I578-L582 WeakPolarHBondContact O-CB 3.31Å; I578-L582 PolarHBondContact O-N 3.35Å; I578-L582 VanDerWaalsContact O-N 3.15Å; R579-L582 PolarHBondContact O-N 2.96Å |
| 583 | L | 85.5 | Confident | 75.3 | Confident | 12 Ų | 12 | 77.3 Ų | 77.3 | 6% | 0.063 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -108.1 | 17.4 | -174.4 | -60.5 | 169.3 | 0 | 0 | 0 | 112.6 | V532 K533 T536 I571 R579 | V532-L583 HydrophobicContact CG1-CD2 4.12Å; V532-L583 HydrophobicContact CG2-CD1 3.92Å; V532-L583 HydrophobicContact CG2-CD2 4.07Å; K533-L583 HydrophobicContact CG-CB 4.43Å; K533-L583 HydrophobicContact CG-CD2 4.36Å; T536-L583 HydrophobicContact CG2-CB 4.29Å; T536-L583 HydrophobicContact CG2-CD1 3.84Å; I571-L583 HydrophobicContact CG2-CD1 4.28Å; R579-L583 HydrophobicContact CB-CD1 4.32Å; R579-L583 VanDerWaalsContact O-CB 3.31Å; R579-L583 WeakPolarHBondContact O-CB 3.17Å; R579-L583 WeakPolarHBondContact O-CG 3.48Å; R579-L583 PolarHBondContact O-N 3.39Å |
| 584 | D | 83.6 | Confident | 73.2 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 170.2 | 179.6 | -156.2 | -1.4 | 0 | 0 | 0 | 112 | K533 G580 M586 | K533-D584 PolarHBondContact NZ-O 3.22Å; G580-D584 PolarHBondContact O-N 3.43Å; D584-M586 PolarHBondContact O-N 3.11Å |
| 585 | C | 81.1 | Confident | 70.7 | Confident | 53 Ų | 53 | 76.8 Ų | 76.8 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 133.6 | 175.8 | -67.8 | 0 | 0 | 0 | 0 | 111 | E483 R537 | E483-C585 WeakPolarHBondContact OE2-CA 3.43Å; R537-C585 PolarHBondContact NH2-SG 2.95Å |
| 586 | M | 81.5 | Confident | 68.1 | Low | 89 Ų | 89 | 77.4 Ų | 77.4 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -61 | 133.8 | 173.5 | -176.1 | 177.7 | 166.8 | 0 | 0 | 110.6 | E483 D584 L589 | E483-M586 PolarHBondContact OE2-N 3.18Å; D584-M586 PolarHBondContact O-N 3.11Å; M586-L589 HydrophobicContact CE-CD1 3.56Å; M586-L589 HydrophobicContact CE-CD2 4.28Å; M586-L589 HydrophobicContact CE-CG 3.79Å; M586-L589 HydrophobicContact SD-CD1 4.09Å |
| 587 | P | 78.8 | Confident | 65.7 | Low | 107 Ų | 107 | 77.7 Ų | 77.7 | 70% | 0.695 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 145.4 | 172.4 | -25.3 | 34.7 | 0 | 0 | 0 | 112.3 | L589 | P587-L589 PolarHBondContact O-N 3.21Š|
| 588 | V | 75.4 | Confident | 63.2 | Low | 70 Ų | 70 | 78.1 Ų | 78.1 | 42% | 0.424 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -57 | 127.8 | -177 | -177 | 0 | 0 | 0 | 0 | 111 | Q448 | Q448-V588 HydrophobicContact CB-CG1 4.32Å; Q448-V588 HydrophobicContact CG-CG1 3.54Å |
| 589 | L | 67.4 | Low | 60.4 | Low | 42 Ų | 42 | 80.9 Ų | 80.9 | 22% | 0.22 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 126.3 | -179.7 | -72 | 81.7 | 0 | 0 | 0 | 110.4 | Q448 M586 P587 T591 | Q448-L589 PolarHBondContact NE2-O 3.06Å; M586-L589 HydrophobicContact CE-CD1 3.56Å; M586-L589 HydrophobicContact CE-CD2 4.28Å; M586-L589 HydrophobicContact CE-CG 3.79Å; M586-L589 HydrophobicContact SD-CD1 4.09Å; P587-L589 PolarHBondContact O-N 3.21Å; L589-T591 PolarHBondContact O-N 2.83Å |
| 590 | P | 58.6 | Low | 57.9 | Low | 99 Ų | 99 | 85 Ų | 85 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 126.6 | 174.9 | 27.6 | -33 | 0 | 0 | 0 | 110.7 | N592 A593 | P590-N592 PolarHBondContact O-N 3.43Å; P590-A593 PolarHBondContact O-N 3.06Å; P590-A593 VanDerWaalsContact O-N 3.17Å |
| 591 | T | 55.1 | Low | 55.5 | Low | 78 Ų | 78 | 89.8 Ų | 89.8 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -52.1 | -34.9 | -174 | -38.9 | 0 | 0 | 0 | 0 | 113.8 | Q448 L589 A593 L594 | Q448-T591 PolarHBondContact NE2-OG1 3.12Å; Q448-T591 VanDerWaalsContact NE2-OG1 3.09Å; L589-T591 PolarHBondContact O-N 2.83Å; T591-A593 PolarHBondContact O-N 2.98Å; T591-A593 VanDerWaalsContact O-N 3.14Å; T591-L594 PolarHBondContact O-N 2.8Å |
| 592 | N | 45.9 | Very low | 52.8 | Low | 147 Ų | 147 | 94.4 Ų | 94.4 | 79% | 0.786 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -71.5 | -7.2 | -173.6 | -63.2 | 4 | 0 | 0 | 0 | 114.2 | P590 L594 | P590-N592 PolarHBondContact O-N 3.43Å; N592-L594 VanDerWaalsContact C-N 3.27Å; N592-L594 PolarHBondContact O-N 2.71Å |
| 593 | A | 42.1 | Very low | 50 | Low | 81 Ų | 81 | 97.7 Ų | 97.7 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -73.3 | -16.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P590 T591 | P590-A593 PolarHBondContact O-N 3.06Å; P590-A593 VanDerWaalsContact O-N 3.17Å; T591-A593 PolarHBondContact O-N 2.98Å; T591-A593 VanDerWaalsContact O-N 3.14Å |
| 594 | L | 41.5 | Very low | 47.2 | Very low | 105 Ų | 105 | 102.4 Ų | 102.4 | 55% | 0.55 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.2 | -31.2 | -175.6 | -66.1 | 172.7 | 0 | 0 | 0 | 114.1 | T591 N592 | T591-L594 PolarHBondContact O-N 2.8Å; N592-L594 VanDerWaalsContact C-N 3.27Å; N592-L594 PolarHBondContact O-N 2.71Å |
| 595 | S | 35.5 | Very low | 44.3 | Very low | 48 Ų | 48 | 110 Ų | 110 | 34% | 0.336 | 65% | 0.647 | S | S | . | * | trans | -100.1 | 97.6 | -176.8 | -58 | 0 | 0 | 0 | 0 | 112.5 | T597 | S595-T597 PolarHBondContact O-N 2.73Š| ||
| 596 | G | 27.9 | Very low | 41.5 | Very low | 82 Ų | 82 | 110.6 Ų | 110.6 | 85% | 0.845 | 66% | 0.661 | S | S | * | * | trans | -72.2 | 34.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 597 | T | 29.1 | Very low | 38.8 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | trans | -127.8 | 100.9 | -169.8 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | S595 | S595-T597 PolarHBondContact O-N 2.73Š| ||
| 598 | S | 27.1 | Very low | 36.2 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | trans | 36.5 | 112.5 | 147.6 | 58.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 599 | N | 25.6 | Very low | 33.7 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | trans | -34.2 | 123.4 | 168.9 | -69.4 | -2 | 0 | 0 | 0 | 115.2 | ||||
| 600 | P | 29.1 | Very low | 31.5 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | trans | -78 | -13 | 171 | -16.9 | 32.5 | 0 | 0 | 0 | 115.4 | N602 | P600-N602 PolarHBondContact O-N 3.28Š| ||
| 601 | D | 28.4 | Very low | 29.8 | Very low | 133 Ų | 133 | 127 Ų | 127 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 37.6 | -160.5 | -65.5 | -24.3 | 0 | 0 | 0 | 116.8 | ||
| 602 | N | 24.3 | Very low | 28.3 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 7.4 | 174.9 | -97.9 | -50.2 | 0 | 0 | 0 | 115.8 | P600 | P600-N602 PolarHBondContact O-N 3.28Š|
| 603 | L | 25.9 | Very low | 27.3 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -135.6 | 49.3 | 179.6 | -72.1 | 175.6 | 0 | 0 | 0 | 114.3 | ||
| 604 | S | 26.5 | Very low | 26.3 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -146.2 | 24.3 | 171.8 | 56.9 | 0 | 0 | 0 | 0 | 115 | G606 | S604-G606 PolarHBondContact O-N 3.45Š| ||
| 605 | R | 23.5 | Very low | 25.5 | Very low | 261 Ų | 261 | 136.7 Ų | 136.7 | 99% | 0.985 | 78% | 0.78 | S | S | * | * | trans | -89.8 | 87.2 | 170.1 | -169.4 | 178.4 | -175.4 | 176.4 | 2.1 | 110.9 | ||||
| 606 | G | 21.9 | Very low | 24.8 | Very low | 65 Ų | 65 | 143.1 Ų | 143.1 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | 141.1 | 67.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | S604 | S604-G606 PolarHBondContact O-N 3.45Š| ||
| 607 | I | 25.5 | Very low | 24.6 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -134.3 | 109.5 | 142.6 | -58.2 | -176.9 | 0 | 0 | 0 | 106.2 | ||||
| 608 | N | 23.3 | Very low | 24.3 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -84.2 | 172.5 | 175.1 | -81.3 | 0.5 | 0 | 0 | 0 | 111.2 | ||||
| 609 | E | 24.3 | Very low | 24 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 76% | 0.757 | 82% | 0.816 | S | S | * | * | trans | 70.3 | 94.1 | 155.5 | -73.2 | 152.5 | -136.1 | 0 | 0 | 118.2 | ||||
| 610 | C | 21.5 | Very low | 24.1 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | -150.3 | 108.9 | 126.1 | -92.3 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 611 | D | 21.1 | Very low | 23.8 | Very low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -70.5 | 130.8 | -179.6 | -62.9 | -58.4 | 0 | 0 | 0 | 112.1 | ||||
| 612 | V | 25.3 | Very low | 23.4 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -138.7 | 93.6 | 155.9 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 613 | I | 23.5 | Very low | 23.5 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | trans | 44.8 | 120.6 | 141.5 | -55.6 | 176.5 | 0 | 0 | 0 | 118.3 | ||||
| 614 | E | 20.9 | Very low | 23.2 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | trans | -60.2 | 144.9 | 172.6 | -57 | 162.2 | 143.3 | 0 | 0 | 113.7 | ||||
| 615 | T | 25.1 | Very low | 23 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | -141.3 | 106.9 | 148.6 | -18.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 616 | E | 21.2 | Very low | 23.4 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -75.3 | 139.1 | 169.4 | -64.9 | -159.6 | 143.1 | 0 | 0 | 110.3 | ||||
| 617 | E | 23.7 | Very low | 23.3 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -155.1 | 113.2 | 144.4 | -120.6 | 172.1 | -149.1 | 0 | 0 | 113.4 | ||||
| 618 | S | 23.5 | Very low | 23.3 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | 59.5 | 98.1 | 133.7 | -58.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 619 | N | 20.7 | Very low | 23.2 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -68.5 | 129.2 | 164.1 | 174.9 | 13.6 | 0 | 0 | 0 | 113.2 | ||||
| 620 | T | 27.3 | Very low | 23 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | trans | -131.7 | 105.2 | 166.1 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 621 | G | 22.4 | Very low | 23.2 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | 55.3 | 102.5 | 126.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 622 | G | 19.9 | Very low | 23.2 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | -83.8 | 165.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 623 | A | 26.2 | Very low | 23.2 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | trans | -127.7 | 135.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 624 | K | 20.5 | Very low | 23.3 | Very low | 195 Ų | 195 | 137.7 Ų | 137.7 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -118.2 | 169.1 | 177.7 | -83.8 | -176.3 | 174.5 | 178.5 | 0 | 110.4 | ||||
| 625 | T | 22.1 | Very low | 23.5 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 83% | 0.828 | 83% | 0.825 | S | S | * | * | trans | 91.5 | 150.1 | 165.7 | 74.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 626 | P | 30.7 | Very low | 23.6 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | cis | -135.7 | 172.7 | -40.2 | 36.2 | -20.7 | 0 | 0 | 0 | 114.9 | ||||
| 627 | S | 20.5 | Very low | 24 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | -54.9 | 142.6 | 175.3 | 47.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 628 | I | 25 | Very low | 24.1 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 86% | 0.862 | 82% | 0.818 | S | S | * | * | trans | -107.7 | 141.5 | 167 | -71.5 | 176.3 | 0 | 0 | 0 | 110.2 | ||||
| 629 | N | 22.6 | Very low | 24.3 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -76.2 | 152.7 | -174.6 | -78.5 | -32.6 | 0 | 0 | 0 | 114.3 | ||||
| 630 | G | 20.2 | Very low | 24.5 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -67 | 164.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 631 | S | 24.3 | Very low | 24.4 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | -137.3 | 115.4 | 160.7 | 53 | 0 | 0 | 0 | 0 | 109 | N633 | S631-N633 PolarHBondContact O-N 2.59Š| ||
| 632 | T | 21.6 | Very low | 24.7 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -66.5 | 118 | 171 | 41.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 633 | N | 25.1 | Very low | 24.9 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -114.2 | 127.4 | 165.2 | -96.7 | -24.5 | 0 | 0 | 0 | 109.8 | S631 | S631-N633 PolarHBondContact O-N 2.59Š| ||
| 634 | Q | 25.9 | Very low | 24.8 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -82.5 | 121.5 | -169.2 | -66.2 | 168.7 | -10.5 | 0 | 0 | 110.6 | L636 | Q634-L636 PolarHBondContact O-N 2.97Š| ||
| 635 | S | 24.7 | Very low | 25 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -76.3 | 104.8 | 172.3 | -53 | 0 | 0 | 0 | 0 | 110 | T637 | S635-T637 PolarHBondContact O-N 3.08Š| ||
| 636 | L | 28.6 | Very low | 24.9 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | -80 | 108.1 | 172.1 | -81 | 164.5 | 0 | 0 | 0 | 110.2 | Q634 | Q634-L636 PolarHBondContact O-N 2.97Š| ||
| 637 | T | 28.2 | Very low | 24.6 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | -82.7 | 113.5 | 176.4 | 48.4 | 0 | 0 | 0 | 0 | 110.8 | S635 | S635-T637 PolarHBondContact O-N 3.08Š| ||
| 638 | I | 27 | Very low | 24.7 | Very low | 155 Ų | 155 | 143 Ų | 143 | 80% | 0.795 | 81% | 0.814 | S | S | * | * | trans | -124.4 | 74.6 | 172.7 | -56.1 | 178.6 | 0 | 0 | 0 | 108.5 | ||||
| 639 | F | 26.6 | Very low | 24.4 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -155.1 | 44.7 | 166.6 | -147.5 | -97.1 | 0 | 0 | 0 | 112.4 | ||||
| 640 | D | 25.6 | Very low | 24.4 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -123.7 | 71.1 | 174.4 | -172 | 22.3 | 0 | 0 | 0 | 109 | ||||
| 641 | L | 25.6 | Very low | 24.5 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -150.1 | 22 | -177.5 | -145.6 | 107.6 | 0 | 0 | 0 | 115.1 | ||||
| 642 | L | 27.4 | Very low | 24.3 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -120.6 | 77.9 | 169.7 | -68.8 | 174.4 | 0 | 0 | 0 | 108.7 | ||||
| 643 | G | 24.5 | Very low | 24.3 | Very low | 65 Ų | 65 | 147.9 Ų | 147.9 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | trans | -65.4 | 151.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 644 | P | 24.9 | Very low | 24.1 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -80 | 127.1 | -173.3 | 31.3 | -33.9 | 0 | 0 | 0 | 111.9 | S646 | P644-S646 PolarHBondContact O-N 2.97Š| ||
| 645 | E | 23.1 | Very low | 23.9 | Very low | 201 Ų | 201 | 146.4 Ų | 146.4 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -78.9 | 115.4 | 165.2 | -70.1 | -168.8 | 153.4 | 0 | 0 | 109.9 | ||||
| 646 | S | 21.7 | Very low | 23.8 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -94.8 | 132.1 | 173.3 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | P644 | P644-S646 PolarHBondContact O-N 2.97Š| ||
| 647 | E | 22.7 | Very low | 23.4 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -153.9 | 157.8 | 150 | -91.5 | -115.7 | 143.8 | 0 | 0 | 110.3 | ||||
| 648 | P | 22.9 | Very low | 23.1 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 61% | 0.61 | 82% | 0.815 | S | S | * | * | trans | -119.9 | 162.3 | -149.6 | 39.1 | -26.5 | 0 | 0 | 0 | 116.8 | ||||
| 649 | D | 20.1 | Very low | 22.9 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | 18.7 | 119.8 | 153.4 | -64.2 | -38.6 | 0 | 0 | 0 | 120.2 | ||||
| 650 | S | 21.6 | Very low | 22.7 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | -152.1 | 130.3 | 150.5 | -21.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 651 | H | 23.1 | Very low | 22.6 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | 65.5 | 99.8 | 150.6 | -63.5 | -59.9 | 0 | 0 | 0 | 122 | ||||
| 652 | M | 19.2 | Very low | 22.6 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | trans | -55.9 | 143.5 | 154.1 | -55.1 | 164.9 | 70.7 | 0 | 0 | 112.4 | ||||
| 653 | T | 22.4 | Very low | 22.6 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | trans | -134.1 | 134.9 | 156.1 | 40.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 654 | Q | 20.9 | Very low | 22.6 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | -101.3 | 139.7 | 177.6 | -66.3 | 176.3 | -4.9 | 0 | 0 | 109.8 | ||||
| 655 | S | 21.8 | Very low | 22.8 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -145.8 | 115.8 | 169.5 | -73.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 656 | A | 22.6 | Very low | 23.1 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 16 | 129 | 156.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 657 | T | 20.4 | Very low | 23.3 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -80.5 | 151.1 | 163.2 | 45.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 658 | T | 21.9 | Very low | 23.7 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -125.9 | 128.4 | 171.3 | 34.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 659 | N | 21.7 | Very low | 23.9 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -88.3 | 133.8 | -179.2 | -66.5 | -36.3 | 0 | 0 | 0 | 110.9 | ||||
| 660 | H | 22.6 | Very low | 24.2 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | -106.1 | 150.2 | 166.1 | -87.4 | -82.1 | 0 | 0 | 0 | 111.7 | ||||
| 661 | S | 24 | Very low | 24.6 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -101.8 | 126.1 | -164 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 662 | D | 25.5 | Very low | 24.8 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | -83.3 | 137.4 | 173.1 | -88.4 | -43.4 | 0 | 0 | 0 | 113.5 | ||||
| 663 | T | 27 | Very low | 25.4 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -92.6 | 112.9 | -176.2 | 8.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 664 | G | 24.9 | Very low | 25.7 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -79.5 | 127.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 665 | T | 28 | Very low | 25.9 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -138.8 | 164.4 | 163.4 | 46.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 666 | N | 30.3 | Very low | 26.1 | Very low | 156 Ų | 156 | 127 Ų | 127 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | 83.6 | 70.2 | 178.7 | -49 | -34.5 | 0 | 0 | 0 | 117.3 | ||||
| 667 | L | 26.4 | Very low | 26.1 | Very low | 153 Ų | 153 | 128 Ų | 128 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | trans | -142.7 | 58.9 | 164.5 | -155 | 136.7 | 0 | 0 | 0 | 111.4 | ||||
| 668 | L | 29.5 | Very low | 26.2 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -105.3 | -15 | -173.4 | -152 | 69.1 | 0 | 0 | 0 | 114.8 | ||||
| 669 | D | 28.5 | Very low | 26.1 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 19.3 | -160.5 | -157.2 | 33 | 0 | 0 | 0 | 116.2 | ||
| 670 | L | 25.6 | Very low | 26.1 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 67% | 0.665 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | -1.7 | -178 | -97.7 | 166.4 | 0 | 0 | 0 | 115.3 | ||
| 671 | L | 30 | Very low | 26.1 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 40% | 0.403 | 74% | 0.735 | S | S | . | * | S | Bend | trans | -87.4 | -19.5 | -173.3 | -81.1 | 164.1 | 0 | 0 | 0 | 114.7 | V673 | L671-V673 VanDerWaalsContact C-N 3.3Å; L671-V673 PolarHBondContact O-N 2.97Å |
| 672 | D | 28.4 | Very low | 25.8 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -79.3 | -12.1 | -173.5 | -142 | 24.2 | 0 | 0 | 0 | 113.8 | F674 | D672-F674 PolarHBondContact O-N 3.04Š|
| 673 | V | 30.7 | Very low | 25.7 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 60% | 0.6 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -76 | 1 | 176.2 | -172.3 | 0 | 0 | 0 | 0 | 112.9 | L671 | L671-V673 VanDerWaalsContact C-N 3.3Å; L671-V673 PolarHBondContact O-N 2.97Å |
| 674 | F | 29.4 | Very low | 25.4 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 46% | 0.456 | 74% | 0.735 | S | S | . | * | G | 310 helix | trans | -108.1 | 17.6 | -177.8 | -70.1 | -81 | 0 | 0 | 0 | 114.7 | R8 D672 | R8-F674 PolarHBondContact NH2-O 3.03Å; D672-F674 PolarHBondContact O-N 3.04Å |
| 675 | A | 24.7 | Very low | 25.4 | Very low | 57 Ų | 57 | 131 Ų | 131 | 47% | 0.471 | 74% | 0.736 | S | S | . | * | trans | -102 | 126 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 676 | P | 26.3 | Very low | 25.1 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | trans | -71.9 | 135.5 | 166 | 30.6 | -31.7 | 0 | 0 | 0 | 109.4 | E678 | P676-E678 PolarHBondContact O-N 3.35Š| ||
| 677 | S | 21.8 | Very low | 25 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | -67.8 | 101.5 | -177.1 | -48.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 678 | E | 22.2 | Very low | 24.9 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 67% | 0.673 | 74% | 0.738 | S | S | * | * | trans | -85.4 | 113.8 | 164.4 | -78.9 | -172.3 | -168.5 | 0 | 0 | 110.1 | P676 K680 | P676-E678 PolarHBondContact O-N 3.35Å; E678-K680 PolarHBondContact O-N 2.99Å; E678-K680 IonicContact OE2-NZ 2.71Å; E678-K680 PolarHBondContact OE2-NZ 2.78Å | ||
| 679 | T | 21.2 | Very low | 25 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | -67.2 | 111.8 | 165.5 | 45.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 680 | K | 21.8 | Very low | 24.8 | Very low | 171 Ų | 171 | 125.1 Ų | 125.1 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -121 | 130.7 | 170.1 | -88.7 | 173.2 | 174.7 | 143.7 | 0 | 111.7 | E678 | E678-K680 PolarHBondContact O-N 2.99Å; E678-K680 IonicContact OE2-NZ 2.71Å; E678-K680 PolarHBondContact OE2-NZ 2.78Å | ||
| 681 | V | 21 | Very low | 24.7 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | -72.9 | 143.8 | -175.2 | 176 | 0 | 0 | 0 | 0 | 110.2 | N683 | V681-N683 PolarHBondContact O-N 3.23Š| ||
| 682 | S | 19.7 | Very low | 24.4 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -52.8 | 129.4 | 175 | -46.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 683 | N | 22.6 | Very low | 24.3 | Very low | 166 Ų | 166 | 128 Ų | 128 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -126.4 | 128.2 | 157.1 | -107.4 | -13.7 | 0 | 0 | 0 | 108.7 | V681 | V681-N683 PolarHBondContact O-N 3.23Š| ||
| 684 | N | 19.9 | Very low | 24.1 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -112 | 107.5 | -167.2 | -169.8 | 19.5 | 0 | 0 | 0 | 108.2 | ||||
| 685 | T | 25.7 | Very low | 24 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -135.1 | 118.5 | 176.4 | 41.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 686 | Q | 22.3 | Very low | 23.9 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -69 | 143.6 | 172.4 | -60.3 | 155.1 | -39.5 | 0 | 0 | 110.4 | ||||
| 687 | N | 26.6 | Very low | 23.9 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | 176.9 | 149.9 | 116.5 | -88.1 | -23.5 | 0 | 0 | 0 | 112.1 | |||||
| 688 | A | 24.4 | Very low | 24 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -99.6 | -165.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 689 | P | 32.7 | Very low | 24.2 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | cis | -130.3 | 171.5 | -26.8 | 23.6 | -1.7 | 0 | 0 | 0 | 113.7 | ||||
| 690 | G | 23.1 | Very low | 24.3 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | trans | 59.7 | 108.6 | 133.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 691 | F | 23.8 | Very low | 24.6 | Very low | 217 Ų | 217 | 137.8 Ų | 137.8 | 95% | 0.952 | 82% | 0.824 | S | S | * | * | trans | -135 | 104.3 | 148.1 | -113.9 | -88.8 | 0 | 0 | 0 | 109.8 | ||||
| 692 | S | 23.8 | Very low | 24.6 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -98.8 | 125.8 | 169.7 | 31.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 693 | G | 27.2 | Very low | 24.9 | Very low | 74 Ų | 74 | 140.1 Ų | 140.1 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | -138.1 | 93.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 694 | D | 26.4 | Very low | 24.9 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -75 | 133.2 | 176.5 | -169.8 | 5.3 | 0 | 0 | 0 | 110.1 | ||||
| 695 | L | 26.2 | Very low | 25.2 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -130.9 | 47.6 | -169.1 | -164.3 | 69.3 | 0 | 0 | 0 | 112.1 | ||||
| 696 | F | 23.4 | Very low | 25.2 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -108.9 | 85.3 | 167.3 | -85.8 | -83.7 | 0 | 0 | 0 | 111.6 | ||||
| 697 | G | 26.3 | Very low | 25.3 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -96.9 | 95.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 698 | T | 23.2 | Very low | 25.3 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | -61.6 | 136 | 171.7 | 45.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 699 | K | 27.8 | Very low | 25.3 | Very low | 209 Ų | 209 | 138.1 Ų | 138.1 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -142.9 | 119 | 157.1 | -97.1 | -173 | 177.2 | 178.3 | 0 | 112.4 | ||||
| 700 | N | 23.6 | Very low | 24.9 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -68 | 146.3 | 166.8 | -76.1 | -11.6 | 0 | 0 | 0 | 110.9 | ||||
| 701 | G | 27.2 | Very low | 25.3 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -145 | 97 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 702 | Y | 22.1 | Very low | 25.2 | Very low | 222 Ų | 222 | 138.1 Ų | 138.1 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | trans | -75 | 139 | 173.5 | -76 | -97.4 | 0 | 0 | 0 | 110.4 | ||||
| 703 | G | 25.8 | Very low | 25.6 | Very low | 77 Ų | 77 | 137.9 Ų | 137.9 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -161.6 | 90.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 704 | A | 22.2 | Very low | 25.5 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -121.6 | 121.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 705 | P | 26.2 | Very low | 25.5 | Very low | 108 Ų | 108 | 139 Ų | 139 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -126.1 | 124.9 | 166 | 29.6 | -12.3 | 0 | 0 | 0 | 113.8 | ||||
| 706 | I | 26 | Very low | 25.6 | Very low | 164 Ų | 164 | 138 Ų | 138 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | 76.4 | 126.3 | 135.9 | -56.4 | 168.1 | 0 | 0 | 0 | 118.4 | ||||
| 707 | I | 23.3 | Very low | 25.6 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -92.2 | 138.7 | 177.8 | -65.3 | 160.2 | 0 | 0 | 0 | 109.7 | P709 | I707-P709 HydrophobicContact CG2-CG 4.43Š| ||
| 708 | Q | 26.6 | Very low | 25.6 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -133.3 | 123.4 | 158.7 | -92.9 | -171 | -25.4 | 0 | 0 | 110 | ||||
| 709 | P | 23.9 | Very low | 25.6 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -118.7 | 127.6 | 178.8 | 36.1 | -23.6 | 0 | 0 | 0 | 114 | I707 | I707-P709 HydrophobicContact CG2-CG 4.43Š| ||
| 710 | A | 24.7 | Very low | 25.4 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 177.8 | 157 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 711 | P | 31.3 | Very low | 25.6 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | cis | -126.9 | 164.6 | -46.5 | 37.2 | -23.5 | 0 | 0 | 0 | 112.8 | ||||
| 712 | Q | 22.5 | Very low | 25.5 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -82.7 | 175.9 | 168.4 | -68 | -179.1 | -34.8 | 0 | 0 | 111.5 | ||||
| 713 | P | 31.2 | Very low | 25.6 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | cis | -131 | 152.8 | -48.8 | 35.6 | -21.7 | 0 | 0 | 0 | 111.9 | ||||
| 714 | S | 26.9 | Very low | 25.7 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -108.6 | 114.1 | 166.4 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | L716 | S714-L716 PolarHBondContact O-N 2.85Š| ||
| 715 | V | 24.4 | Very low | 25.8 | Very low | 143 Ų | 143 | 138 Ų | 138 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -61.6 | 122.6 | 172.3 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 716 | L | 29.6 | Very low | 26 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -131 | 140.5 | 171 | -74.8 | 175.9 | 0 | 0 | 0 | 109.1 | S714 | S714-L716 PolarHBondContact O-N 2.85Š| ||
| 717 | D | 23.2 | Very low | 25.9 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -61.5 | 138.1 | -166 | -103 | -47 | 0 | 0 | 0 | 114.1 | D719 | D717-D719 PolarHBondContact O-N 2.7Š| ||
| 718 | F | 25.1 | Very low | 25.9 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | trans | -95.8 | 79.5 | 168.9 | -97.1 | -94.8 | 0 | 0 | 0 | 109.2 | F720 | F718-F720 PolarHBondContact O-N 2.88Š| ||
| 719 | D | 25.2 | Very low | 25.9 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -65.4 | 115.1 | 170.6 | -103.8 | -31.6 | 0 | 0 | 0 | 110.1 | D717 V721 | D717-D719 PolarHBondContact O-N 2.7Å; D719-V721 PolarHBondContact O-N 2.83Å | ||
| 720 | F | 23.3 | Very low | 26 | Very low | 200 Ų | 200 | 134.2 Ų | 134.2 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -72.7 | 69.2 | 176.3 | -88.8 | -98.9 | 0 | 0 | 0 | 111.1 | F718 N722 | F718-F720 PolarHBondContact O-N 2.88Å; F720-N722 PolarHBondContact O-N 3.02Å; F720-N722 VanDerWaalsContact O-N 3.12Å | ||
| 721 | V | 27.8 | Very low | 26 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | -72.2 | 107.6 | 166.3 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | D719 N723 | D719-V721 PolarHBondContact O-N 2.83Å; V721-N723 VanDerWaalsContact C-N 3.25Å; V721-N723 PolarHBondContact O-N 3.12Å | ||
| 722 | N | 24 | Very low | 25.9 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -66 | 72.5 | -173 | -168.7 | 22.8 | 0 | 0 | 0 | 112.5 | F720 S724 | F720-N722 PolarHBondContact O-N 3.02Å; F720-N722 VanDerWaalsContact O-N 3.12Å; N722-S724 VanDerWaalsContact C-N 3.26Å; N722-S724 PolarHBondContact O-N 3.12Å | ||
| 723 | N | 24.3 | Very low | 26.7 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -86.7 | 64.2 | -178.4 | -161.8 | 17.8 | 0 | 0 | 0 | 111.1 | V721 G725 | V721-N723 VanDerWaalsContact C-N 3.25Å; V721-N723 PolarHBondContact O-N 3.12Å; N723-G725 PolarHBondContact O-N 2.85Å | ||
| 724 | S | 27.2 | Very low | 28 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -71.1 | 75.1 | 171.2 | 54 | 0 | 0 | 0 | 0 | 110.3 | N722 | N722-S724 VanDerWaalsContact C-N 3.26Å; N722-S724 PolarHBondContact O-N 3.12Å | ||
| 725 | G | 25.2 | Very low | 30.1 | Very low | 54 Ų | 54 | 130.7 Ų | 130.7 | 56% | 0.557 | 75% | 0.749 | S | S | * | * | trans | -56.8 | 137.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | N723 G727 | N723-G725 PolarHBondContact O-N 2.85Å; G725-G727 PolarHBondContact O-N 3.48Å; G725-G727 VanDerWaalsContact O-N 3.08Å | ||
| 726 | P | 31 | Very low | 32.7 | Very low | 131 Ų | 131 | 128 Ų | 128 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -65.3 | 114.6 | -173.3 | 25.4 | -33.4 | 0 | 0 | 0 | 110.4 | ||||
| 727 | G | 23.5 | Very low | 35.4 | Very low | 60 Ų | 60 | 124.6 Ų | 124.6 | 62% | 0.619 | 72% | 0.723 | S | S | * | * | trans | -58 | 138.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G725 T729 | G725-G727 PolarHBondContact O-N 3.48Å; G725-G727 VanDerWaalsContact O-N 3.08Å; G727-T729 VanDerWaalsContact C-N 3.33Å; G727-T729 PolarHBondContact O-N 3.38Å | ||
| 728 | L | 23.4 | Very low | 38.4 | Very low | 181 Ų | 181 | 118.6 Ų | 118.6 | 95% | 0.948 | 69% | 0.692 | S | S | * | * | trans | -64 | 85.7 | -177.5 | -67.4 | 161.8 | 0 | 0 | 0 | 111.2 | ||||
| 729 | T | 26.3 | Very low | 41.5 | Very low | 125 Ų | 125 | 113 Ų | 113 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | trans | -81.1 | 131.7 | 167.9 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | G727 Q731 | G727-T729 VanDerWaalsContact C-N 3.33Å; G727-T729 PolarHBondContact O-N 3.38Å; T729-Q731 PolarHBondContact O-N 3.25Å; T729-Q731 VanDerWaalsContact O-N 3.1Å | ||
| 730 | N | 25.3 | Very low | 44.6 | Very low | 156 Ų | 156 | 107 Ų | 107 | 83% | 0.834 | 64% | 0.641 | S | S | * | * | trans | -53.7 | 117.7 | 179.5 | -78.8 | -29.2 | 0 | 0 | 0 | 110.5 | V732 | N730-V732 PolarHBondContact O-N 3.44Š| ||
| 731 | Q | 25 | Very low | 47.8 | Very low | 189 Ų | 189 | 98.3 Ų | 98.3 | 88% | 0.883 | 60% | 0.602 | S | S | * | * | trans | -73.2 | 78.6 | 171.6 | -71.2 | -155.6 | 0.3 | 0 | 0 | 110.5 | T729 S733 | T729-Q731 PolarHBondContact O-N 3.25Å; T729-Q731 VanDerWaalsContact O-N 3.1Å; Q731-S733 PolarHBondContact O-N 3.39Å | ||
| 732 | V | 29.6 | Very low | 50.8 | Low | 124 Ų | 124 | 97.8 Ų | 97.8 | 75% | 0.752 | 60% | 0.595 | S | S | * | * | trans | -68.3 | 104.9 | 150.5 | -177.8 | 0 | 0 | 0 | 0 | 105.5 | N730 S734 | N730-V732 PolarHBondContact O-N 3.44Å; V732-S734 PolarHBondContact O-N 3.27Å | ||
| 733 | S | 39.1 | Very low | 53.9 | Low | 105 Ų | 105 | 94 Ų | 94 | 73% | 0.734 | 58% | 0.58 | S | S | * | * | trans | -64.9 | 91.9 | -178 | 29.6 | 0 | 0 | 0 | 0 | 110.6 | Q731 I735 | Q731-S733 PolarHBondContact O-N 3.39Å; S733-I735 PolarHBondContact O-N 3.31Å | ||
| 734 | S | 57.6 | Low | 56.8 | Low | 107 Ų | 107 | 88.9 Ų | 88.9 | 75% | 0.748 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128 | 176.5 | 52.9 | 0 | 0 | 0 | 0 | 110 | V732 | V732-S734 PolarHBondContact O-N 3.27Š|
| 735 | I | 72.3 | Confident | 59.6 | Low | 29 Ų | 29 | 88.6 Ų | 88.6 | 15% | 0.149 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 126.4 | 176.1 | -56 | 171.4 | 0 | 0 | 0 | 107 | S733 S737 F752 P754 P852 L855 | S733-I735 PolarHBondContact O-N 3.31Å; I735-S737 PolarHBondContact O-N 3.02Å; I735-F752 HydrophobicContact CB-CB 3.99Å; I735-F752 HydrophobicContact CD1-CB 4.29Å; I735-F752 HydrophobicContact CG2-CB 3.7Å; I735-F752 HydrophobicContact CG2-CD2 4.04Å; I735-F752 HydrophobicContact CG2-CG 4.08Å; I735-P754 HydrophobicContact CD1-CB 4.33Å; I735-P754 HydrophobicContact CD1-CG 3.91Å; I735-P754 HydrophobicContact CG1-CG 4.43Å; I735-P852 HydrophobicContact CG2-CB 4.14Å; I735-P852 HydrophobicContact CG2-CG 4.33Å; I735-L855 HydrophobicContact CD1-CD2 3.81Å; I735-L855 HydrophobicContact CG2-CD2 4.2Å; I735-L855 HydrophobicContact CG2-CG 4.38Å |
| 736 | P | 79.6 | Confident | 62.7 | Low | 86 Ų | 86 | 86 Ų | 86 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 135.5 | -175 | 24.7 | -34.3 | 0 | 0 | 0 | 111.1 | F752 P852 | P736-F752 VanDerWaalsContact O-CD2 3.32Å; P736-F752 WeakPolarHBondContact O-CD2 3.38Å; P736-F752 WeakPolarHBondContact O-CE2 3.2Å; P736-P852 HydrophobicContact CG-CB 4.47Å; P736-P852 HydrophobicContact CG-CG 4.42Å |
| 737 | S | 84.7 | Confident | 65.6 | Low | 72 Ų | 72 | 84.1 Ų | 84.1 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 144.4 | 177.8 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | I735 F750 N751 | I735-S737 PolarHBondContact O-N 3.02Å; S737-F750 CarbonylContact C-O 3.59Å; S737-F750 VanDerWaalsContact CA-O 3.25Å; S737-F750 WeakPolarHBondContact CA-O 3.36Å; S737-F750 WeakPolarHBondContact CB-O 3.34Å; S737-N751 WeakPolarHBondContact CB-OD1 3.21Å |
| 738 | T | 86.3 | Confident | 69 | Low | 28 Ų | 28 | 81.2 Ų | 81.2 | 17% | 0.172 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.7 | -178.2 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | I740 V749 F750 F752 L848 | T738-I740 HydrophobicContact CG2-CG2 4.16Å; T738-I740 PolarHBondContact O-N 3.15Å; T738-V749 CarbonylContact O-C 3.51Å; T738-V749 WeakPolarHBondContact O-CA 3.31Å; T738-F750 PolarHBondContact N-O 3.39Å; T738-F750 PolarHBondContact O-N 3.48Å; T738-F752 WeakPolarHBondContact OG1-CE2 3.34Å; T738-L848 HydrophobicContact CG2-CD1 4.46Å |
| 739 | T | 90.5 | Very high | 72.3 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 44% | 0.436 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.9 | 167.7 | -60.1 | 0 | 0 | 0 | 0 | 108.3 | N742 K747 | T739-N742 HydrophobicContact CG2-CB 4.3Å; T739-K747 HydrophobicContact CG2-CG 4.19Å |
| 740 | I | 90 | Very high | 75.5 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 9% | 0.087 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -22.3 | -174.8 | 63.3 | 151.9 | 0 | 0 | 0 | 112.9 | T738 I748 F750 F784 I831 F846 L848 | T738-I740 HydrophobicContact CG2-CG2 4.16Å; T738-I740 PolarHBondContact O-N 3.15Å; I740-I748 HydrophobicContact CD1-CB 4.34Å; I740-I748 HydrophobicContact CD1-CG2 3.85Å; I740-I748 HydrophobicContact CG1-CB 3.92Å; I740-I748 HydrophobicContact CG1-CG2 3.8Å; I740-I748 WeakPolarHBondContact CG1-O 3.29Å; I740-I748 PolarHBondContact N-O 2.99Å; I740-F750 HydrophobicContact CD1-CD1 3.91Å; I740-F750 HydrophobicContact CD1-CE1 3.4Å; I740-F750 VanDerWaalsContact CD1-CE1 3.4Å; I740-F750 HydrophobicContact CD1-CE2 4.23Å; I740-F750 HydrophobicContact CD1-CZ 3.6Å; I740-F750 HydrophobicContact CG1-CD1 4.23Å; I740-F750 HydrophobicContact CG1-CE1 4.23Å; I740-F750 HydrophobicContact CG2-CB 4.31Å; I740-F750 HydrophobicContact CG2-CD1 4.28Å; I740-F750 HydrophobicContact CG2-CD2 3.8Å; I740-F750 HydrophobicContact CG2-CE2 4.19Å; I740-F750 HydrophobicContact CG2-CG 3.86Å; I740-F784 HydrophobicContact CD1-CE2 4.14Å; I740-I831 HydrophobicContact CD1-CD1 3.71Å; I740-F846 HydrophobicContact CB-CE2 4.4Å; I740-F846 HydrophobicContact CD1-CZ 4.33Å; I740-F846 WeakPolarHBondContact O-CE2 3.4Å; I740-L848 HydrophobicContact CB-CD2 4.43Å; I740-L848 HydrophobicContact CG2-CD1 3.96Å; I740-L848 HydrophobicContact CG2-CD2 3.61Å; I740-L848 HydrophobicContact CG2-CG 4.42Å |
| 741 | Y | 90.9 | Very high | 78.6 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 137.7 | -179.5 | -176.2 | -94.5 | 0 | 0 | 0 | 109.5 | S743 N744 I746 K747 I748 L833 D844 F846 | Y741-S743 WeakPolarHBondContact CE1-O 3.34Å; Y741-N744 PolarHBondContact OH-ND2 3.11Å; Y741-I746 HydrophobicContact CD1-CB 4.32Å; Y741-I746 HydrophobicContact CD1-CG2 4.49Å; Y741-I746 WeakPolarHBondContact CD1-O 3.47Å; Y741-I746 HydrophobicContact CE1-CB 4.02Å; Y741-K747 CarbonylContact O-C 3.48Å; Y741-K747 WeakPolarHBondContact O-CA 3.31Å; Y741-I748 HydrophobicContact CD1-CD1 4.19Å; Y741-I748 HydrophobicContact CD1-CG1 4.18Å; Y741-I748 HydrophobicContact CG-CD1 4.41Å; Y741-I748 PolarHBondContact N-O 3.32Å; Y741-I748 PolarHBondContact O-N 2.75Å; Y741-L833 HydrophobicContact CD1-CD1 3.87Å; Y741-L833 HydrophobicContact CD2-CD1 3.65Å; Y741-L833 HydrophobicContact CE1-CD1 4.02Å; Y741-L833 HydrophobicContact CE2-CD1 3.81Å; Y741-L833 HydrophobicContact CG-CD1 3.67Å; Y741-D844 HydrophobicContact CE2-CB 4.12Å; Y741-D844 WeakPolarHBondContact CE2-OD2 3.43Å; Y741-D844 PolarHBondContact OH-OD2 3.15Å; Y741-F846 HydrophobicContact CD2-CD1 4.07Å; Y741-F846 AromaticContact CD2-CE1 3.54Å; Y741-F846 HydrophobicContact CD2-CE1 3.54Å; Y741-F846 HydrophobicContact CD2-CZ 4.04Å; Y741-F846 HydrophobicContact CE2-CE1 4.28Å; Y741-F846 HydrophobicContact CG-CE1 4.26Å; Y741-F846 HydrophobicContact CG-CZ 4.4Å |
| 742 | N | 90.9 | Very high | 81.6 | Confident | 114 Ų | 114 | 54.9 Ų | 54.9 | 61% | 0.61 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 79 | 176.5 | -172.5 | 33 | 0 | 0 | 0 | 108.8 | T739 I746 | T739-N742 HydrophobicContact CG2-CB 4.3Å; N742-I746 WeakPolarHBondContact CA-O 3.41Å |
| 743 | S | 88.8 | Confident | 83.8 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 164.2 | -173.3 | -78.9 | 0 | 0 | 0 | 0 | 110.4 | Y741 E745 I746 | Y741-S743 WeakPolarHBondContact CE1-O 3.34Å; S743-E745 PolarHBondContact O-N 3.04Å; S743-I746 PolarHBondContact N-O 3.29Å; S743-I746 PolarHBondContact O-N 2.91Å; S743-I746 VanDerWaalsContact O-O 3.06Å |
| 744 | N | 86.5 | Confident | 84.8 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 22% | 0.219 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 22.7 | -177.1 | -72.3 | -69 | 0 | 0 | 0 | 115.8 | Y741 I746 F835 K837 K842 D844 | Y741-N744 PolarHBondContact OH-ND2 3.11Å; N744-I746 VanDerWaalsContact C-N 3.28Å; N744-F835 HydrophobicContact CB-CE2 4.01Å; N744-F835 HydrophobicContact CB-CZ 3.71Å; N744-K837 PolarHBondContact O-NZ 3Å; N744-K842 WeakPolarHBondContact OD1-CD 3.36Å; N744-K842 PolarHBondContact OD1-NZ 3.32Å; N744-D844 PolarHBondContact ND2-OD2 2.96Å |
| 745 | E | 85.8 | Confident | 84.8 | Confident | 89 Ų | 89 | 49 Ų | 49 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 20 | -168.5 | -64.8 | 145.2 | -124.8 | 0 | 0 | 114.7 | S743 T773 T774 S775 K837 | S743-E745 PolarHBondContact O-N 3.04Å; E745-T773 CarbonylContact O-C 3.58Å; E745-T773 WeakPolarHBondContact O-CA 3.43Å; E745-T773 WeakPolarHBondContact O-CB 3.48Å; E745-T773 PolarHBondContact O-OG1 3.19Å; E745-T774 WeakPolarHBondContact CB-OG1 3.23Å; E745-T774 PolarHBondContact O-N 3.1Å; E745-S775 VanDerWaalsContact OE2-CA 3.31Å; E745-S775 WeakPolarHBondContact OE2-CA 3.32Å; E745-S775 WeakPolarHBondContact OE2-CB 3.41Å; E745-S775 PolarHBondContact OE2-OG 3.48Å; E745-K837 IonicContact OE1-NZ 2.73Å; E745-K837 PolarHBondContact OE1-NZ 3.23Å; E745-K837 WeakPolarHBondContact OE2-CE 3.41Å; E745-K837 IonicContact OE2-NZ 2.79Å; E745-K837 PolarHBondContact OE2-NZ 3.3Å |
| 746 | I | 90 | Very high | 83.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131 | 169.3 | -51.2 | 168.8 | 0 | 0 | 0 | 108.9 | Y741 N742 S743 N744 I748 T772 I779 I804 F835 | Y741-I746 HydrophobicContact CD1-CB 4.32Å; Y741-I746 HydrophobicContact CD1-CG2 4.49Å; Y741-I746 WeakPolarHBondContact CD1-O 3.47Å; Y741-I746 HydrophobicContact CE1-CB 4.02Å; N742-I746 WeakPolarHBondContact CA-O 3.41Å; S743-I746 PolarHBondContact N-O 3.29Å; S743-I746 PolarHBondContact O-N 2.91Å; S743-I746 VanDerWaalsContact O-O 3.06Å; N744-I746 VanDerWaalsContact C-N 3.28Å; I746-I748 HydrophobicContact CG2-CD1 4.27Å; I746-I748 HydrophobicContact CG2-CG1 3.78Å; I746-T772 WeakPolarHBondContact CA-O 3.31Å; I746-I779 HydrophobicContact CD1-CD1 3.87Å; I746-I779 HydrophobicContact CD1-CG2 4.17Å; I746-I779 HydrophobicContact CG1-CD1 3.43Å; I746-I779 VanDerWaalsContact CG1-CD1 3.43Å; I746-I804 HydrophobicContact CD1-CD1 4.2Å; I746-I804 HydrophobicContact CG1-CD1 4.25Å; I746-I804 HydrophobicContact CG2-CD1 3.73Å; I746-F835 HydrophobicContact CD1-CD1 3.88Å; I746-F835 HydrophobicContact CD1-CD2 3.86Å; I746-F835 HydrophobicContact CD1-CE1 3.85Å; I746-F835 HydrophobicContact CD1-CE2 3.81Å; I746-F835 HydrophobicContact CD1-CG 3.89Å; I746-F835 HydrophobicContact CD1-CZ 3.82Å |
| 747 | K | 92.3 | Very high | 82.2 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 39% | 0.391 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.3 | 167.7 | -177.1 | 178.2 | 177.8 | 179.1 | 0 | 109 | T739 Y741 V749 A771 T772 | T739-K747 HydrophobicContact CG2-CG 4.19Å; Y741-K747 CarbonylContact O-C 3.48Å; Y741-K747 WeakPolarHBondContact O-CA 3.31Å; K747-V749 HydrophobicContact CG-CG2 4.27Å; K747-A771 WeakPolarHBondContact O-CA 3.24Å; K747-T772 PolarHBondContact N-O 3.01Å; K747-T772 PolarHBondContact O-N 3.32Å |
| 748 | I | 93.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127 | 177.3 | -47.8 | -179.5 | 0 | 0 | 0 | 109.6 | I740 Y741 I746 L769 V770 A771 F782 L833 | I740-I748 HydrophobicContact CD1-CB 4.34Å; I740-I748 HydrophobicContact CD1-CG2 3.85Å; I740-I748 HydrophobicContact CG1-CB 3.92Å; I740-I748 HydrophobicContact CG1-CG2 3.8Å; I740-I748 WeakPolarHBondContact CG1-O 3.29Å; I740-I748 PolarHBondContact N-O 2.99Å; Y741-I748 HydrophobicContact CD1-CD1 4.19Å; Y741-I748 HydrophobicContact CD1-CG1 4.18Å; Y741-I748 HydrophobicContact CG-CD1 4.41Å; Y741-I748 PolarHBondContact N-O 3.32Å; Y741-I748 PolarHBondContact O-N 2.75Å; I746-I748 HydrophobicContact CG2-CD1 4.27Å; I746-I748 HydrophobicContact CG2-CG1 3.78Å; I748-L769 HydrophobicContact CG2-CD1 4.11Å; I748-L769 HydrophobicContact CG2-CD2 3.98Å; I748-L769 HydrophobicContact CG2-CG 3.63Å; I748-V770 WeakPolarHBondContact CA-O 3.22Å; I748-A771 HydrophobicContact CG1-CB 3.99Å; I748-A771 HydrophobicContact CG2-CB 4.45Å; I748-F782 HydrophobicContact CD1-CE2 4.07Å; I748-F782 HydrophobicContact CD1-CZ 3.83Å; I748-L833 HydrophobicContact CD1-CD1 3.58Å; I748-L833 HydrophobicContact CD1-CD2 3.84Å; I748-L833 HydrophobicContact CD1-CG 4.39Å |
| 749 | V | 93.8 | Very high | 78.7 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.4 | -178.9 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | T738 K747 L769 V770 | T738-V749 CarbonylContact O-C 3.51Å; T738-V749 WeakPolarHBondContact O-CA 3.31Å; K747-V749 HydrophobicContact CG-CG2 4.27Å; V749-L769 CarbonylContact O-C 3.55Å; V749-L769 WeakPolarHBondContact O-CA 3.39Å; V749-V770 PolarHBondContact N-O 3.5Å; V749-V770 PolarHBondContact O-N 2.93Å |
| 750 | F | 93 | Very high | 76.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119.2 | 168.1 | -78.9 | 1.3 | 0 | 0 | 0 | 109.9 | S737 T738 I740 F752 M767 Q768 L769 F784 L817 M829 I831 L848 | S737-F750 CarbonylContact C-O 3.59Å; S737-F750 VanDerWaalsContact CA-O 3.25Å; S737-F750 WeakPolarHBondContact CA-O 3.36Å; S737-F750 WeakPolarHBondContact CB-O 3.34Å; T738-F750 PolarHBondContact N-O 3.39Å; T738-F750 PolarHBondContact O-N 3.48Å; I740-F750 HydrophobicContact CD1-CD1 3.91Å; I740-F750 HydrophobicContact CD1-CE1 3.4Å; I740-F750 VanDerWaalsContact CD1-CE1 3.4Å; I740-F750 HydrophobicContact CD1-CE2 4.23Å; I740-F750 HydrophobicContact CD1-CZ 3.6Å; I740-F750 HydrophobicContact CG1-CD1 4.23Å; I740-F750 HydrophobicContact CG1-CE1 4.23Å; I740-F750 HydrophobicContact CG2-CB 4.31Å; I740-F750 HydrophobicContact CG2-CD1 4.28Å; I740-F750 HydrophobicContact CG2-CD2 3.8Å; I740-F750 HydrophobicContact CG2-CE2 4.19Å; I740-F750 HydrophobicContact CG2-CG 3.86Å; F750-F752 HydrophobicContact CB-CE2 4.39Å; F750-F752 HydrophobicContact CB-CZ 4.09Å; F750-M767 HydrophobicContact CD2-SD 3.8Å; F750-M767 HydrophobicContact CE2-SD 4.02Å; F750-Q768 WeakPolarHBondContact CA-O 3.4Å; F750-L769 HydrophobicContact CD1-CB 4.12Å; F750-L769 HydrophobicContact CD1-CG 4.47Å; F750-L769 HydrophobicContact CE1-CB 3.87Å; F750-L769 HydrophobicContact CE1-CD1 4.08Å; F750-L769 HydrophobicContact CE1-CG 4.06Å; F750-F784 HydrophobicContact CE1-CE2 4.49Å; F750-F784 HydrophobicContact CE1-CZ 4.42Å; F750-F784 HydrophobicContact CZ-CE2 4.4Å; F750-F784 AromaticContact CZ-CZ 3.99Å; F750-F784 HydrophobicContact CZ-CZ 3.99Å; F750-L817 HydrophobicContact CE1-CD1 4.29Å; F750-L817 HydrophobicContact CZ-CD1 4.48Å; F750-L817 HydrophobicContact CZ-CD2 4.13Å; F750-M829 HydrophobicContact CE2-SD 4.39Å; F750-I831 HydrophobicContact CZ-CD1 4.3Å; F750-L848 HydrophobicContact CD2-CD2 3.96Å; F750-L848 HydrophobicContact CE2-CD2 3.71Å |
| 751 | N | 91.5 | Very high | 75.5 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 32% | 0.316 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.6 | 168.2 | -63.6 | -24.8 | 0 | 0 | 0 | 108.7 | S737 M767 Q768 | S737-N751 WeakPolarHBondContact CB-OD1 3.21Å; N751-M767 CarbonylContact O-C 3.52Å; N751-M767 WeakPolarHBondContact O-CA 3.34Å; N751-Q768 HydrophobicContact CB-CB 4.44Å; N751-Q768 PolarHBondContact N-O 2.93Å; N751-Q768 PolarHBondContact O-N 2.9Å |
| 752 | F | 86.5 | Confident | 74.1 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 7% | 0.07 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.9 | -175.6 | -58.2 | -85.2 | 0 | 0 | 0 | 111.1 | I735 P736 T738 F750 I765 M767 F851 P852 L855 | I735-F752 HydrophobicContact CB-CB 3.99Å; I735-F752 HydrophobicContact CD1-CB 4.29Å; I735-F752 HydrophobicContact CG2-CB 3.7Å; I735-F752 HydrophobicContact CG2-CD2 4.04Å; I735-F752 HydrophobicContact CG2-CG 4.08Å; P736-F752 VanDerWaalsContact O-CD2 3.32Å; P736-F752 WeakPolarHBondContact O-CD2 3.38Å; P736-F752 WeakPolarHBondContact O-CE2 3.2Å; T738-F752 WeakPolarHBondContact OG1-CE2 3.34Å; F750-F752 HydrophobicContact CB-CE2 4.39Å; F750-F752 HydrophobicContact CB-CZ 4.09Å; F752-I765 HydrophobicContact CD1-CG2 4.11Å; F752-M767 HydrophobicContact CD1-CG 3.41Å; F752-M767 VanDerWaalsContact CD1-CG 3.41Å; F752-M767 HydrophobicContact CD1-SD 4.12Å; F752-M767 HydrophobicContact CE1-CG 3.51Å; F752-M767 HydrophobicContact CE1-SD 3.62Å; F752-M767 HydrophobicContact CG-CG 4.46Å; F752-F851 AromaticContact CE1-CD1 3.99Å; F752-F851 HydrophobicContact CE1-CD1 3.99Å; F752-F851 HydrophobicContact CE1-CE1 4.5Å; F752-F851 HydrophobicContact CZ-CD1 4.28Å; F752-P852 HydrophobicContact CD2-CG 4.01Å; F752-P852 HydrophobicContact CE2-CG 3.6Å; F752-P852 HydrophobicContact CZ-CG 4.05Å; F752-L855 HydrophobicContact CB-CD1 4.42Å; F752-L855 HydrophobicContact CB-CD2 4.24Å; F752-L855 HydrophobicContact CD1-CD1 3.28Å; F752-L855 HydrophobicContact CD1-CD2 4.33Å; F752-L855 HydrophobicContact CD1-CG 4.43Å; F752-L855 HydrophobicContact CD2-CD1 4.36Å; F752-L855 HydrophobicContact CE1-CD1 3.47Å; F752-L855 VanDerWaalsContact CE1-CD1 3.47Å; F752-L855 HydrophobicContact CG-CD1 3.77Å; F752-L855 HydrophobicContact CG-CD2 4.47Å; F752-L855 HydrophobicContact CZ-CD1 4.11Å |
| 753 | V | 76.7 | Confident | 73.3 | Confident | 72 Ų | 72 | 63.9 Ų | 63.9 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.6 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | S755 T766 | V753-S755 PolarHBondContact O-N 3.18Å; V753-T766 HydrophobicContact CB-CG2 4.4Å; V753-T766 PolarHBondContact N-O 3.45Å |
| 754 | P | 59.2 | Low | 72.9 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 60% | 0.597 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 119.8 | 173.9 | -21.2 | 31.6 | 0 | 0 | 0 | 110.9 | I735 | I735-P754 HydrophobicContact CD1-CB 4.33Å; I735-P754 HydrophobicContact CD1-CG 3.91Å; I735-P754 HydrophobicContact CG1-CG 4.43Å |
| 755 | S | 57.7 | Low | 72.8 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 34% | 0.343 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 118.2 | 173.2 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | V753 V757 I764 | V753-S755 PolarHBondContact O-N 3.18Å; S755-V757 PolarHBondContact O-N 3.14Å; S755-I764 WeakPolarHBondContact CB-O 3.43Å; S755-I764 PolarHBondContact OG-O 3.5Å |
| 756 | A | 49.9 | Very low | 72.8 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 88% | 0.876 | 34% | 0.34 | S | S | * | . | trans | -75.6 | -1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 757 | V | 47.8 | Very low | 72.8 | Confident | 78 Ų | 78 | 57.4 Ų | 57.4 | 47% | 0.473 | 34% | 0.34 | S | S | . | . | trans | -106.8 | 96.1 | -173.2 | -172.6 | 0 | 0 | 0 | 0 | 110 | S755 D759 | S755-V757 PolarHBondContact O-N 3.14Å; V757-D759 PolarHBondContact O-N 3.33Å | ||
| 758 | L | 48.5 | Very low | 72.8 | Confident | 137 Ų | 137 | 56.8 Ų | 56.8 | 72% | 0.717 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 94.1 | 150 | -83.2 | 96.4 | 0 | 0 | 0 | 107.9 | G760 | L758-G760 PolarHBondContact O-N 2.79Å |
| 759 | D | 48.3 | Very low | 72.8 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 119.4 | 148.9 | -84.4 | -30.6 | 0 | 0 | 0 | 105.5 | V757 H761 F762 | V757-D759 PolarHBondContact O-N 3.33Å; D759-H761 PolarHBondContact O-N 2.9Å; D759-F762 PolarHBondContact O-N 3.38Å; D759-F762 VanDerWaalsContact O-O 3.06Å |
| 760 | G | 53.9 | Low | 72.8 | Confident | 73 Ų | 73 | 57 Ų | 57 | 75% | 0.753 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 10 | -160.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | L758 | L758-G760 PolarHBondContact O-N 2.79Š|
| 761 | H | 59.2 | Low | 72.8 | Confident | 150 Ų | 150 | 57 Ų | 57 | 69% | 0.694 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | -17.1 | 177 | -57.1 | 94.1 | 0 | 0 | 0 | 113.7 | D759 P823 | D759-H761 PolarHBondContact O-N 2.9Å; H761-P823 WeakPolarHBondContact O-CD 3.12Å |
| 762 | F | 63.1 | Low | 72.8 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 136.3 | -175.4 | -69.1 | -91.9 | 0 | 0 | 0 | 112.5 | D759 V821 P822 | D759-F762 PolarHBondContact O-N 3.38Å; D759-F762 VanDerWaalsContact O-O 3.06Å; F762-V821 CarbonylContact C-O 3.59Å; F762-V821 WeakPolarHBondContact CA-O 3.33Å; F762-P822 HydrophobicContact CD1-CG 4.22Å; F762-P822 HydrophobicContact CE1-CB 4.49Å; F762-P822 HydrophobicContact CE1-CG 3.85Å |
| 763 | N | 72.8 | Confident | 72.9 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 121.8 | 165.6 | -69.4 | 4.5 | 0 | 0 | 0 | 108.8 | V821 | N763-V821 PolarHBondContact N-O 3.09Å; N763-V821 PolarHBondContact O-N 3.14Å |
| 764 | I | 80.3 | Confident | 73.3 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 106.5 | 177.5 | -58.3 | 175 | 0 | 0 | 0 | 109 | S755 K818 | S755-I764 WeakPolarHBondContact CB-O 3.43Å; S755-I764 PolarHBondContact OG-O 3.5Å; I764-K818 HydrophobicContact CG2-CD 4.32Å; I764-K818 HydrophobicContact CG2-CG 4.37Å |
| 765 | I | 84.1 | Confident | 74.5 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.9 | 176.8 | -56.4 | 172 | 0 | 0 | 0 | 108.3 | F752 M767 L819 V821 P827 L855 | F752-I765 HydrophobicContact CD1-CG2 4.11Å; I765-M767 HydrophobicContact CG2-CE 4.07Å; I765-M767 HydrophobicContact CG2-CG 3.99Å; I765-M767 HydrophobicContact CG2-SD 4.15Å; I765-L819 HydrophobicContact CB-CB 4.37Å; I765-L819 PolarHBondContact N-O 3.39Å; I765-L819 PolarHBondContact O-N 3.11Å; I765-V821 HydrophobicContact CD1-CG2 3.76Å; I765-V821 HydrophobicContact CG1-CG2 4.47Å; I765-P827 HydrophobicContact CD1-CG 4.3Å; I765-L855 HydrophobicContact CD1-CB 3.8Å; I765-L855 HydrophobicContact CG1-CB 4.09Å; I765-L855 HydrophobicContact CG2-CD1 4.15Å; I765-L855 HydrophobicContact CG2-CD2 4.2Å |
| 766 | T | 87.7 | Confident | 75.6 | Confident | 25 Ų | 25 | 61 Ų | 61 | 15% | 0.153 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.9 | 172.5 | -56.5 | 0 | 0 | 0 | 0 | 109.4 | V753 V816 K818 | V753-T766 HydrophobicContact CB-CG2 4.4Å; V753-T766 PolarHBondContact N-O 3.45Å; T766-V816 HydrophobicContact CG2-CG1 4.12Å; T766-K818 HydrophobicContact CG2-CG 4.39Å |
| 767 | M | 88.9 | Confident | 77.1 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 141.5 | -177.1 | -70.4 | 162.5 | -72.7 | 0 | 0 | 110.4 | F750 N751 F752 I765 V816 L817 L819 M829 F851 | F750-M767 HydrophobicContact CD2-SD 3.8Å; F750-M767 HydrophobicContact CE2-SD 4.02Å; N751-M767 CarbonylContact O-C 3.52Å; N751-M767 WeakPolarHBondContact O-CA 3.34Å; F752-M767 HydrophobicContact CD1-CG 3.41Å; F752-M767 VanDerWaalsContact CD1-CG 3.41Å; F752-M767 HydrophobicContact CD1-SD 4.12Å; F752-M767 HydrophobicContact CE1-CG 3.51Å; F752-M767 HydrophobicContact CE1-SD 3.62Å; F752-M767 HydrophobicContact CG-CG 4.46Å; I765-M767 HydrophobicContact CG2-CE 4.07Å; I765-M767 HydrophobicContact CG2-CG 3.99Å; I765-M767 HydrophobicContact CG2-SD 4.15Å; M767-V816 WeakPolarHBondContact O-CA 3.3Å; M767-L817 HydrophobicContact CB-CB 4.31Å; M767-L817 HydrophobicContact CE-CB 4.28Å; M767-L817 PolarHBondContact N-O 3.15Å; M767-L817 PolarHBondContact O-N 3.25Å; M767-L819 HydrophobicContact CE-CB 3.59Å; M767-L819 HydrophobicContact CE-CD2 4.19Å; M767-M829 HydrophobicContact CE-CE 4.39Å; M767-F851 HydrophobicContact SD-CD1 4.37Å; M767-F851 HydrophobicContact SD-CE1 3.76Å |
| 768 | Q | 92.5 | Very high | 78.8 | Confident | 76 Ų | 76 | 60.4 Ų | 60.4 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 114.3 | 166.1 | -173.4 | -178.4 | 16.6 | 0 | 0 | 108.5 | F750 N751 V770 | F750-Q768 WeakPolarHBondContact CA-O 3.4Å; N751-Q768 HydrophobicContact CB-CB 4.44Å; N751-Q768 PolarHBondContact N-O 2.93Å; N751-Q768 PolarHBondContact O-N 2.9Å; Q768-V770 HydrophobicContact CG-CG2 4.24Å |
| 769 | L | 93.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 133.1 | 164.4 | -179.9 | 162.2 | 0 | 0 | 0 | 108.5 | I748 V749 F750 A771 F784 L813 T814 Q815 L817 | I748-L769 HydrophobicContact CG2-CD1 4.11Å; I748-L769 HydrophobicContact CG2-CD2 3.98Å; I748-L769 HydrophobicContact CG2-CG 3.63Å; V749-L769 CarbonylContact O-C 3.55Å; V749-L769 WeakPolarHBondContact O-CA 3.39Å; F750-L769 HydrophobicContact CD1-CB 4.12Å; F750-L769 HydrophobicContact CD1-CG 4.47Å; F750-L769 HydrophobicContact CE1-CB 3.87Å; F750-L769 HydrophobicContact CE1-CD1 4.08Å; F750-L769 HydrophobicContact CE1-CG 4.06Å; L769-A771 HydrophobicContact CD2-CB 3.96Å; L769-F784 HydrophobicContact CD1-CB 4.3Å; L769-F784 HydrophobicContact CD1-CD1 4.21Å; L769-F784 HydrophobicContact CD1-CD2 3.3Å; L769-F784 HydrophobicContact CD1-CE1 4.45Å; L769-F784 HydrophobicContact CD1-CE2 3.56Å; L769-F784 HydrophobicContact CD1-CG 3.67Å; L769-F784 HydrophobicContact CD1-CZ 4.16Å; L769-L813 HydrophobicContact CD2-CD2 4.04Å; L769-T814 WeakPolarHBondContact O-CA 3.13Å; L769-T814 WeakPolarHBondContact O-CB 3.47Å; L769-Q815 HydrophobicContact CB-CB 4.15Å; L769-Q815 WeakPolarHBondContact CB-O 3.33Å; L769-Q815 HydrophobicContact CD2-CB 4.4Å; L769-Q815 PolarHBondContact N-O 3.09Å; L769-Q815 PolarHBondContact O-N 3.23Å; L769-Q815 VanDerWaalsContact O-N 3.07Å; L769-L817 HydrophobicContact CB-CD1 3.72Å |
| 770 | V | 93.6 | Very high | 82.7 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 17% | 0.17 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 115.7 | 171 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | I748 V749 Q768 P812 T814 | I748-V770 WeakPolarHBondContact CA-O 3.22Å; V749-V770 PolarHBondContact N-O 3.5Å; V749-V770 PolarHBondContact O-N 2.93Å; Q768-V770 HydrophobicContact CG-CG2 4.24Å; V770-P812 HydrophobicContact CG1-CB 3.69Å; V770-P812 HydrophobicContact CG1-CG 4.02Å; V770-T814 HydrophobicContact CG1-CG2 4.38Å; V770-T814 HydrophobicContact CG2-CG2 4.2Å |
| 771 | A | 92.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | K747 I748 L769 F782 I804 L813 | K747-A771 WeakPolarHBondContact O-CA 3.24Å; I748-A771 HydrophobicContact CG1-CB 3.99Å; I748-A771 HydrophobicContact CG2-CB 4.45Å; L769-A771 HydrophobicContact CD2-CB 3.96Å; A771-F782 HydrophobicContact CB-CZ 4.49Å; A771-I804 HydrophobicContact CB-CD1 4.06Å; A771-L813 HydrophobicContact CB-CB 4.3Å; A771-L813 HydrophobicContact CB-CD2 4.27Å; A771-L813 PolarHBondContact N-O 3.23Å; A771-L813 PolarHBondContact O-N 3.09Å |
| 772 | T | 91.6 | Very high | 85.8 | Confident | 62 Ų | 62 | 46.1 Ų | 46.1 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 152.9 | 176.3 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | I746 K747 P812 | I746-T772 WeakPolarHBondContact CA-O 3.31Å; K747-T772 PolarHBondContact N-O 3.01Å; K747-T772 PolarHBondContact O-N 3.32Å; T772-P812 HydrophobicContact CG2-CB 3.83Å |
| 773 | T | 89.1 | Confident | 87.1 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 143.7 | 173.2 | -171 | 0 | 0 | 0 | 0 | 112.2 | E745 S775 I779 I804 C806 | E745-T773 CarbonylContact O-C 3.58Å; E745-T773 WeakPolarHBondContact O-CA 3.43Å; E745-T773 WeakPolarHBondContact O-CB 3.48Å; E745-T773 PolarHBondContact O-OG1 3.19Å; T773-S775 WeakPolarHBondContact OG1-CB 3.46Å; T773-S775 PolarHBondContact OG1-N 3.01Å; T773-S775 VanDerWaalsContact OG1-N 3.08Å; T773-I779 WeakPolarHBondContact OG1-CD1 3.31Å; T773-I804 HydrophobicContact CG2-CB 4.38Å; T773-I804 HydrophobicContact CG2-CG2 3.79Å; T773-C806 HydrophobicContact CG2-CB 4.15Å |
| 774 | T | 85.6 | Confident | 88.1 | Confident | 113 Ų | 113 | 46.2 Ų | 46.2 | 69% | 0.693 | 26% | 0.255 | S | S | * | . | trans | -98.7 | 9.1 | 168.3 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | E745 | E745-T774 WeakPolarHBondContact CB-OG1 3.23Å; E745-T774 PolarHBondContact O-N 3.1Å | ||
| 775 | S | 83.6 | Confident | 88.6 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | trans | -77.8 | 152 | -177.8 | -149 | 0 | 0 | 0 | 0 | 112.3 | E745 T773 Q777 C806 | E745-S775 VanDerWaalsContact OE2-CA 3.31Å; E745-S775 WeakPolarHBondContact OE2-CA 3.32Å; E745-S775 WeakPolarHBondContact OE2-CB 3.41Å; E745-S775 PolarHBondContact OE2-OG 3.48Å; T773-S775 WeakPolarHBondContact OG1-CB 3.46Å; T773-S775 PolarHBondContact OG1-N 3.01Å; T773-S775 VanDerWaalsContact OG1-N 3.08Å; S775-Q777 VanDerWaalsContact C-N 3.25Å; S775-Q777 PolarHBondContact O-N 3.23Å; S775-C806 WeakPolarHBondContact O-CB 3.48Å | ||
| 776 | L | 80.1 | Confident | 89 | Confident | 171 Ų | 171 | 49.2 Ų | 49.2 | 90% | 0.895 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -76.3 | -11.9 | 177.2 | -66.2 | 174 | 0 | 0 | 0 | 113.3 | ||
| 777 | Q | 82.6 | Confident | 89 | Confident | 112 Ų | 112 | 50.9 Ų | 50.9 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -124.3 | 149.9 | 175.5 | -68.3 | -171.7 | -3.6 | 0 | 0 | 110 | S775 | S775-Q777 VanDerWaalsContact C-N 3.25Å; S775-Q777 PolarHBondContact O-N 3.23Å |
| 778 | P | 83.7 | Confident | 89 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 141.7 | 176.8 | 28.8 | -34.7 | 0 | 0 | 0 | 110.5 | I804 | P778-I804 WeakPolarHBondContact CA-O 3.2Š|
| 779 | I | 88.5 | Confident | 88.5 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -92.5 | 118.3 | 178.2 | -67.1 | 174.7 | 0 | 0 | 0 | 107.9 | I746 T773 S803 I804 F835 K837 | I746-I779 HydrophobicContact CD1-CD1 3.87Å; I746-I779 HydrophobicContact CD1-CG2 4.17Å; I746-I779 HydrophobicContact CG1-CD1 3.43Å; I746-I779 VanDerWaalsContact CG1-CD1 3.43Å; T773-I779 WeakPolarHBondContact OG1-CD1 3.31Å; I779-S803 CarbonylContact O-C 3.6Å; I779-S803 WeakPolarHBondContact O-CA 3.49Å; I779-S803 VanDerWaalsContact O-CB 3.31Å; I779-S803 WeakPolarHBondContact O-CB 3.33Å; I779-I804 HydrophobicContact CB-CB 4.38Å; I779-I804 PolarHBondContact N-O 2.81Å; I779-I804 PolarHBondContact O-N 3.36Å; I779-F835 HydrophobicContact CG2-CB 3.74Å; I779-F835 HydrophobicContact CG2-CD2 3.76Å; I779-F835 HydrophobicContact CG2-CG 4.05Å; I779-K837 HydrophobicContact CD1-CD 4.36Å; I779-K837 HydrophobicContact CG1-CB 4.48Å; I779-K837 HydrophobicContact CG1-CG 4.37Å |
| 780 | N | 89.5 | Confident | 87.9 | Confident | 74 Ų | 74 | 62.3 Ų | 62.3 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 162.9 | -169.9 | -67.3 | -41.5 | 0 | 0 | 0 | 112 | F782 S803 V836 | N780-F782 PolarHBondContact O-N 2.92Å; N780-S803 WeakPolarHBondContact OD1-CB 3.48Å; N780-V836 HydrophobicContact CB-CB 4.48Å; N780-V836 PolarHBondContact N-O 3.05Å; N780-V836 PolarHBondContact O-N 3.45Å |
| 781 | S | 87.9 | Confident | 87.2 | Confident | 77 Ų | 77 | 63.9 Ų | 63.9 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51 | 42.9 | 177.3 | -52.4 | 0 | 0 | 0 | 0 | 113.3 | E783 S802 | S781-E783 PolarHBondContact O-N 3.42Å; S781-S802 CarbonylContact C-O 3.59Å; S781-S802 WeakPolarHBondContact CA-O 3.2Å; S781-S802 PolarHBondContact N-O 2.77Å |
| 782 | F | 91 | Very high | 86.8 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 4% | 0.039 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 119.8 | 177 | 179.6 | -91.5 | 0 | 0 | 0 | 110.2 | I748 A771 N780 F784 S802 I804 L813 L833 Q834 F835 | I748-F782 HydrophobicContact CD1-CE2 4.07Å; I748-F782 HydrophobicContact CD1-CZ 3.83Å; A771-F782 HydrophobicContact CB-CZ 4.49Å; N780-F782 PolarHBondContact O-N 2.92Å; F782-F784 HydrophobicContact CE1-CB 4.06Å; F782-F784 HydrophobicContact CZ-CB 4.41Å; F782-S802 PolarHBondContact N-O 2.93Å; F782-I804 HydrophobicContact CB-CG1 4.3Å; F782-I804 HydrophobicContact CD2-CD1 3.7Å; F782-I804 HydrophobicContact CD2-CG1 4.27Å; F782-I804 HydrophobicContact CE2-CD1 4.03Å; F782-I804 HydrophobicContact CG-CD1 4.13Å; F782-I804 HydrophobicContact CG-CG1 4.21Å; F782-L813 HydrophobicContact CB-CD1 4.08Å; F782-L813 HydrophobicContact CD1-CD1 3.52Å; F782-L813 HydrophobicContact CD1-CD2 3.82Å; F782-L813 HydrophobicContact CD1-CG 4.36Å; F782-L813 HydrophobicContact CE1-CD1 4.27Å; F782-L813 HydrophobicContact CE1-CD2 3.73Å; F782-L813 HydrophobicContact CG-CD1 4.03Å; F782-L833 HydrophobicContact CE2-CD2 4.29Å; F782-L833 HydrophobicContact CZ-CD2 4.05Å; F782-Q834 CarbonylContact C-O 3.6Å; F782-Q834 WeakPolarHBondContact CA-O 3.45Å; F782-F835 HydrophobicContact CD2-CB 4.19Å |
| 783 | E | 90.3 | Very high | 86.4 | Confident | 90 Ų | 90 | 67.4 Ų | 67.4 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.7 | 177.4 | -168 | -178.4 | 168 | 0 | 0 | 109.8 | S781 Q785 Q834 | S781-E783 PolarHBondContact O-N 3.42Å; E783-Q785 HydrophobicContact CG-CG 4.3Å; E783-Q785 PolarHBondContact OE1-NE2 3.46Å; E783-Q834 HydrophobicContact CB-CB 4.4Å; E783-Q834 PolarHBondContact N-O 2.94Å; E783-Q834 PolarHBondContact O-N 2.57Å |
| 784 | F | 93 | Very high | 86.4 | Confident | 13 Ų | 13 | 68.5 Ų | 68.5 | 6% | 0.057 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.3 | 174.6 | 179.4 | -81.6 | 0 | 0 | 0 | 109.4 | I740 F750 L769 F782 A786 L796 L817 I831 L833 | I740-F784 HydrophobicContact CD1-CE2 4.14Å; F750-F784 HydrophobicContact CE1-CE2 4.49Å; F750-F784 HydrophobicContact CE1-CZ 4.42Å; F750-F784 HydrophobicContact CZ-CE2 4.4Å; F750-F784 AromaticContact CZ-CZ 3.99Å; F750-F784 HydrophobicContact CZ-CZ 3.99Å; L769-F784 HydrophobicContact CD1-CB 4.3Å; L769-F784 HydrophobicContact CD1-CD1 4.21Å; L769-F784 HydrophobicContact CD1-CD2 3.3Å; L769-F784 HydrophobicContact CD1-CE1 4.45Å; L769-F784 HydrophobicContact CD1-CE2 3.56Å; L769-F784 HydrophobicContact CD1-CG 3.67Å; L769-F784 HydrophobicContact CD1-CZ 4.16Å; F782-F784 HydrophobicContact CE1-CB 4.06Å; F782-F784 HydrophobicContact CZ-CB 4.41Å; F784-A786 HydrophobicContact CE1-CB 3.56Å; F784-A786 HydrophobicContact CZ-CB 3.99Å; F784-L796 HydrophobicContact CD1-CD2 3.84Å; F784-L796 HydrophobicContact CE1-CD2 3.82Å; F784-L817 HydrophobicContact CE1-CD2 3.63Å; F784-L817 HydrophobicContact CZ-CD2 4.06Å; F784-I831 HydrophobicContact CD2-CG2 4.08Å; F784-I831 HydrophobicContact CE2-CD1 4.14Å; F784-I831 HydrophobicContact CE2-CG1 4.38Å; F784-I831 HydrophobicContact CE2-CG2 3.41Å; F784-I831 VanDerWaalsContact CE2-CG2 3.41Å; F784-I831 HydrophobicContact CZ-CD1 3.96Å; F784-I831 HydrophobicContact CZ-CG1 4.02Å; F784-I831 HydrophobicContact CZ-CG2 3.79Å; F784-L833 HydrophobicContact CB-CD2 4.47Å; F784-L833 HydrophobicContact CD2-CD2 3.47Å; F784-L833 VanDerWaalsContact CD2-CD2 3.47Å; F784-L833 HydrophobicContact CE2-CD2 4.11Å; F784-L833 HydrophobicContact CG-CD2 4.35Å |
| 785 | Q | 91.3 | Very high | 86.5 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 34% | 0.341 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.1 | 173.2 | -62.9 | 179.9 | -3.2 | 0 | 0 | 109.5 | E783 I831 R832 | E783-Q785 HydrophobicContact CG-CG 4.3Å; E783-Q785 PolarHBondContact OE1-NE2 3.46Å; Q785-I831 WeakPolarHBondContact O-CA 3.45Å; Q785-R832 HydrophobicContact CB-CB 4.23Å; Q785-R832 PolarHBondContact N-O 2.84Å; Q785-R832 PolarHBondContact O-N 3.49Å |
| 786 | A | 91.8 | Very high | 86.7 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 147.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F784 L794 M829 K830 I831 | F784-A786 HydrophobicContact CE1-CB 3.56Å; F784-A786 HydrophobicContact CZ-CB 3.99Å; A786-L794 HydrophobicContact CB-CD2 3.64Å; A786-M829 HydrophobicContact CB-CG 3.9Å; A786-M829 HydrophobicContact CB-SD 3.72Å; A786-K830 CarbonylContact C-O 3.59Å; A786-K830 VanDerWaalsContact CA-O 3.23Å; A786-K830 WeakPolarHBondContact CA-O 3.33Å; A786-I831 HydrophobicContact CB-CG1 4.35Å |
| 787 | A | 87.3 | Confident | 87.2 | Confident | 60 Ų | 60 | 67.4 Ų | 67.4 | 50% | 0.496 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | M829 K830 | A787-M829 WeakPolarHBondContact O-CA 3.17Å; A787-K830 PolarHBondContact N-O 3.47Å; A787-K830 PolarHBondContact O-N 2.83Å |
| 788 | V | 88.8 | Confident | 87.5 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 22% | 0.218 | 37% | 0.367 | C | S | . | . | trans | -129.7 | 159.6 | -177.4 | -63.2 | 0 | 0 | 0 | 0 | 111 | C792 L794 L819 M829 | V788-C792 HydrophobicContact CB-CB 4.2Å; V788-C792 HydrophobicContact CG2-CB 3.98Å; V788-L794 HydrophobicContact CG1-CB 4.12Å; V788-L794 HydrophobicContact CG1-CD2 4.15Å; V788-L794 HydrophobicContact CG2-CB 3.74Å; V788-L819 HydrophobicContact CB-CD1 4.36Å; V788-L819 HydrophobicContact CG1-CD1 3.83Å; V788-L819 HydrophobicContact CG2-CD1 4.34Å; V788-M829 HydrophobicContact CG1-CB 4.24Å; V788-M829 HydrophobicContact CG1-CE 4.12Å; V788-M829 HydrophobicContact CG1-CG 4.09Å | ||
| 789 | P | 83.6 | Confident | 87.8 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 38% | 0.377 | 37% | 0.366 | S | S | . | . | trans | -56.6 | 151.4 | 174.9 | -25.5 | 34.8 | 0 | 0 | 0 | 112.6 | S791 C792 R828 | P789-S791 PolarHBondContact O-N 2.93Å; P789-C792 PolarHBondContact O-N 3.24Å; P789-R828 WeakPolarHBondContact CD-O 3.4Å; P789-R828 HydrophobicContact CG-CB 4.49Å | ||
| 790 | K | 79.5 | Confident | 87.7 | Confident | 223 Ų | 223 | 70.5 Ų | 70.5 | 97% | 0.97 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.4 | -179.9 | -67.3 | -173.1 | 177.9 | -176.3 | 0 | 115.1 | C792 | K790-C792 VanDerWaalsContact C-N 3.27Š|
| 791 | S | 79 | Confident | 87.6 | Confident | 61 Ų | 61 | 69 Ų | 69 | 43% | 0.427 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -13.6 | 173.9 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | P789 P822 | P789-S791 PolarHBondContact O-N 2.93Å; S791-P822 WeakPolarHBondContact O-CD 3.38Å; S791-P822 VanDerWaalsContact O-CG 3.28Å; S791-P822 WeakPolarHBondContact O-CG 3.37Å |
| 792 | C | 84.8 | Confident | 87.4 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 8% | 0.081 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -117.2 | 156.2 | -177.2 | -54.7 | 0 | 0 | 0 | 0 | 110.1 | V788 P789 K790 L819 S820 | V788-C792 HydrophobicContact CB-CB 4.2Å; V788-C792 HydrophobicContact CG2-CB 3.98Å; P789-C792 PolarHBondContact O-N 3.24Å; K790-C792 VanDerWaalsContact C-N 3.27Å; C792-L819 HydrophobicContact CB-CD1 4.13Å; C792-S820 VanDerWaalsContact CA-O 3.25Å; C792-S820 WeakPolarHBondContact CA-O 3.4Å; C792-S820 WeakPolarHBondContact CB-O 3.17Å |
| 793 | Q | 84 | Confident | 87.3 | Confident | 125 Ų | 125 | 70.3 Ų | 70.3 | 58% | 0.584 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.2 | 172.1 | -63 | -177 | -2.4 | 0 | 0 | 109.7 | L819 S820 | Q793-L819 CarbonylContact O-C 3.57Å; Q793-L819 WeakPolarHBondContact O-CA 3.21Å; Q793-S820 PolarHBondContact N-O 3.19Å; Q793-S820 PolarHBondContact O-N 3.35Å |
| 794 | L | 88.7 | Confident | 87.2 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.1 | 176.8 | 177.5 | 65.7 | 0 | 0 | 0 | 109.7 | A786 V788 L796 L817 K818 L819 M829 | A786-L794 HydrophobicContact CB-CD2 3.64Å; V788-L794 HydrophobicContact CG1-CB 4.12Å; V788-L794 HydrophobicContact CG1-CD2 4.15Å; V788-L794 HydrophobicContact CG2-CB 3.74Å; L794-L796 HydrophobicContact CD2-CD1 4.4Å; L794-L796 HydrophobicContact CD2-CG 4.34Å; L794-L796 HydrophobicContact CG-CG 4.39Å; L794-L817 HydrophobicContact CD1-CB 4.42Å; L794-L817 HydrophobicContact CD1-CD2 4.46Å; L794-K818 CarbonylContact C-O 3.58Å; L794-K818 WeakPolarHBondContact CA-O 3.41Å; L794-L819 HydrophobicContact CB-CD1 4.41Å; L794-L819 HydrophobicContact CD1-CB 4.42Å; L794-L819 HydrophobicContact CD1-CD1 4.48Å; L794-M829 HydrophobicContact CD1-CE 3.84Å; L794-M829 HydrophobicContact CD2-CE 4.2Å |
| 795 | Q | 88.4 | Confident | 86.8 | Confident | 111 Ų | 111 | 67.7 Ų | 67.7 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.4 | 169.5 | -69 | 179.3 | -14.7 | 0 | 0 | 108.9 | L817 K818 | Q795-L817 WeakPolarHBondContact O-CA 3.37Å; Q795-K818 HydrophobicContact CB-CB 4.18Å; Q795-K818 PolarHBondContact N-O 2.97Å; Q795-K818 PolarHBondContact O-N 3.28Å |
| 796 | L | 87.8 | Confident | 86.2 | Confident | 72 Ų | 72 | 66.3 Ų | 66.3 | 38% | 0.377 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.8 | 174.4 | -72.5 | 158.1 | 0 | 0 | 0 | 108.2 | F784 L794 L817 | F784-L796 HydrophobicContact CD1-CD2 3.84Å; F784-L796 HydrophobicContact CE1-CD2 3.82Å; L794-L796 HydrophobicContact CD2-CD1 4.4Å; L794-L796 HydrophobicContact CD2-CG 4.34Å; L794-L796 HydrophobicContact CG-CG 4.39Å; L796-L817 HydrophobicContact CD2-CD2 3.59Å; L796-L817 HydrophobicContact CD2-CG 3.87Å |
| 797 | F | 89.7 | Confident | 85.3 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 40% | 0.395 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 161.4 | 169.6 | -67.1 | -89.1 | 0 | 0 | 0 | 110 | Q815 V816 K818 | F797-Q815 WeakPolarHBondContact O-CG 3.34Å; F797-Q815 PolarHBondContact O-NE2 3.2Å; F797-V816 HydrophobicContact CB-CB 4.09Å; F797-V816 WeakPolarHBondContact CB-O 3.12Å; F797-V816 HydrophobicContact CD2-CB 3.91Å; F797-V816 HydrophobicContact CD2-CG1 3.8Å; F797-V816 WeakPolarHBondContact CD2-O 3.32Å; F797-V816 HydrophobicContact CE2-CG1 4.25Å; F797-V816 HydrophobicContact CG-CB 4.23Å; F797-V816 PolarHBondContact N-O 2.92Å; F797-K818 HydrophobicContact CE2-CB 4.25Å; F797-K818 HydrophobicContact CE2-CD 4.39Å; F797-K818 HydrophobicContact CE2-CG 4.34Å |
| 798 | P | 88.2 | Confident | 84.3 | Confident | 109 Ų | 109 | 71 Ų | 71 | 71% | 0.708 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 143.3 | 176.1 | -24.4 | 35 | 0 | 0 | 0 | 112.2 | ||
| 799 | P | 90.6 | Very high | 83.2 | Confident | 56 Ų | 56 | 77 Ų | 77 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 156.8 | 171.7 | 32.8 | -35.5 | 0 | 0 | 0 | 111.2 | S801 L813 T814 Q815 | P799-S801 VanDerWaalsContact C-N 3.26Å; P799-S801 PolarHBondContact O-N 2.79Å; P799-L813 HydrophobicContact CB-CD2 4.37Å; P799-T814 CarbonylContact C-O 3.56Å; P799-T814 WeakPolarHBondContact CA-O 3.43Å; P799-Q815 HydrophobicContact CB-CB 4.2Å; P799-Q815 HydrophobicContact CB-CG 4.19Å |
| 800 | S | 87.2 | Confident | 82.8 | Confident | 71 Ų | 71 | 76.2 Ų | 76.2 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -72.8 | -16 | -179.4 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | T814 | S800-T814 PolarHBondContact N-O 2.86Å; S800-T814 PolarHBondContact OG-N 2.96Å; S800-T814 PolarHBondContact OG-O 3.01Å; S800-T814 PolarHBondContact OG-OG1 3.16Å |
| 801 | S | 86 | Confident | 82.7 | Confident | 42 Ų | 42 | 70.9 Ų | 70.9 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | trans | -157.3 | 159.6 | 179 | -180 | 0 | 0 | 0 | 0 | 109.3 | P799 S803 L813 | P799-S801 VanDerWaalsContact C-N 3.26Å; P799-S801 PolarHBondContact O-N 2.79Å; S801-S803 WeakPolarHBondContact CB-O 3.47Å; S801-S803 PolarHBondContact OG-N 2.96Å; S801-S803 PolarHBondContact OG-O 2.79Å; S801-L813 VanDerWaalsContact O-CD1 3.25Å; S801-L813 WeakPolarHBondContact O-CD1 3.32Å | ||
| 802 | S | 85.5 | Confident | 83.1 | Confident | 84 Ų | 84 | 70.5 Ų | 70.5 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -95.5 | 2.2 | 167.8 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | S781 F782 | S781-S802 CarbonylContact C-O 3.59Å; S781-S802 WeakPolarHBondContact CA-O 3.2Å; S781-S802 PolarHBondContact N-O 2.77Å; F782-S802 PolarHBondContact N-O 2.93Å |
| 803 | S | 87.2 | Confident | 83.4 | Confident | 31 Ų | 31 | 70 Ų | 70 | 22% | 0.217 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -137.5 | 148.9 | 175.2 | 60.2 | 0 | 0 | 0 | 0 | 112 | I779 N780 S801 | I779-S803 CarbonylContact O-C 3.6Å; I779-S803 WeakPolarHBondContact O-CA 3.49Å; I779-S803 VanDerWaalsContact O-CB 3.31Å; I779-S803 WeakPolarHBondContact O-CB 3.33Å; N780-S803 WeakPolarHBondContact OD1-CB 3.48Å; S801-S803 WeakPolarHBondContact CB-O 3.47Å; S801-S803 PolarHBondContact OG-N 2.96Å; S801-S803 PolarHBondContact OG-O 2.79Å |
| 804 | I | 88.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -95.4 | 110 | 173.4 | -48.1 | 176 | 0 | 0 | 0 | 107.8 | I746 A771 T773 P778 I779 F782 L813 | I746-I804 HydrophobicContact CD1-CD1 4.2Å; I746-I804 HydrophobicContact CG1-CD1 4.25Å; I746-I804 HydrophobicContact CG2-CD1 3.73Å; A771-I804 HydrophobicContact CB-CD1 4.06Å; T773-I804 HydrophobicContact CG2-CB 4.38Å; T773-I804 HydrophobicContact CG2-CG2 3.79Å; P778-I804 WeakPolarHBondContact CA-O 3.2Å; I779-I804 HydrophobicContact CB-CB 4.38Å; I779-I804 PolarHBondContact N-O 2.81Å; I779-I804 PolarHBondContact O-N 3.36Å; F782-I804 HydrophobicContact CB-CG1 4.3Å; F782-I804 HydrophobicContact CD2-CD1 3.7Å; F782-I804 HydrophobicContact CD2-CG1 4.27Å; F782-I804 HydrophobicContact CE2-CD1 4.03Å; F782-I804 HydrophobicContact CG-CD1 4.13Å; F782-I804 HydrophobicContact CG-CG1 4.21Å; I804-L813 HydrophobicContact CG1-CB 4.16Å; I804-L813 HydrophobicContact CG1-CD1 4.01Å |
| 805 | S | 84.3 | Confident | 84 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | trans | -68.4 | 142.3 | 178.9 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | S810 | S805-S810 WeakPolarHBondContact O-CB 3.29Å; S805-S810 PolarHBondContact O-OG 3.36Å | ||
| 806 | C | 78.9 | Confident | 84.2 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 30% | 0.297 | 39% | 0.392 | S | S | . | . | trans | -101.4 | 152.6 | 176.3 | 57.5 | 0 | 0 | 0 | 0 | 112 | T773 S775 | T773-C806 HydrophobicContact CG2-CB 4.15Å; S775-C806 WeakPolarHBondContact O-CB 3.48Å | ||
| 807 | G | 73.7 | Confident | 84.4 | Confident | 43 Ų | 43 | 58.7 Ų | 58.7 | 44% | 0.443 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 116.9 | 162.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N809 S810 | G807-N809 VanDerWaalsContact C-N 3.31Å; G807-N809 PolarHBondContact O-N 3.04Å; G807-S810 WeakPolarHBondContact O-CB 3.24Å; G807-S810 PolarHBondContact O-N 3.19Å; G807-S810 VanDerWaalsContact O-N 3.11Å; G807-S810 PolarHBondContact O-OG 3.46Å |
| 808 | P | 65.2 | Low | 84.4 | Confident | 138 Ų | 138 | 58.1 Ų | 58.1 | 90% | 0.896 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -28.1 | -169.7 | 24.8 | -34.3 | 0 | 0 | 0 | 114.4 | ||
| 809 | N | 66 | Low | 84.4 | Confident | 161 Ų | 161 | 53 Ų | 53 | 86% | 0.861 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 22.5 | 176.5 | -68.2 | 1.9 | 0 | 0 | 0 | 112.3 | G807 | G807-N809 VanDerWaalsContact C-N 3.31Å; G807-N809 PolarHBondContact O-N 3.04Å |
| 810 | S | 75 | Confident | 84.2 | Confident | 43 Ų | 43 | 51.5 Ų | 51.5 | 30% | 0.301 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 135.8 | 178.7 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | S805 G807 | S805-S810 WeakPolarHBondContact O-CB 3.29Å; S805-S810 PolarHBondContact O-OG 3.36Å; G807-S810 WeakPolarHBondContact O-CB 3.24Å; G807-S810 PolarHBondContact O-N 3.19Å; G807-S810 VanDerWaalsContact O-N 3.11Å; G807-S810 PolarHBondContact O-OG 3.46Å |
| 811 | T | 78.1 | Confident | 83.9 | Confident | 111 Ų | 111 | 48.2 Ų | 48.2 | 68% | 0.681 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -72 | 127.7 | 172.4 | 43.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 812 | P | 87.3 | Confident | 83.6 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 147.1 | 177.3 | 28.2 | -34.9 | 0 | 0 | 0 | 110.5 | V770 T772 T814 | V770-P812 HydrophobicContact CG1-CB 3.69Å; V770-P812 HydrophobicContact CG1-CG 4.02Å; T772-P812 HydrophobicContact CG2-CB 3.83Å; P812-T814 HydrophobicContact CG-CG2 4.38Å; P812-T814 PolarHBondContact O-N 3.24Å |
| 813 | L | 91.9 | Very high | 83.1 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128.8 | 169.1 | -179.7 | 156 | 0 | 0 | 0 | 107.8 | L769 A771 F782 P799 S801 I804 | L769-L813 HydrophobicContact CD2-CD2 4.04Å; A771-L813 HydrophobicContact CB-CB 4.3Å; A771-L813 HydrophobicContact CB-CD2 4.27Å; A771-L813 PolarHBondContact N-O 3.23Å; A771-L813 PolarHBondContact O-N 3.09Å; F782-L813 HydrophobicContact CB-CD1 4.08Å; F782-L813 HydrophobicContact CD1-CD1 3.52Å; F782-L813 HydrophobicContact CD1-CD2 3.82Å; F782-L813 HydrophobicContact CD1-CG 4.36Å; F782-L813 HydrophobicContact CE1-CD1 4.27Å; F782-L813 HydrophobicContact CE1-CD2 3.73Å; F782-L813 HydrophobicContact CG-CD1 4.03Å; P799-L813 HydrophobicContact CB-CD2 4.37Å; S801-L813 VanDerWaalsContact O-CD1 3.25Å; S801-L813 WeakPolarHBondContact O-CD1 3.32Å; I804-L813 HydrophobicContact CG1-CB 4.16Å; I804-L813 HydrophobicContact CG1-CD1 4.01Å |
| 814 | T | 92.4 | Very high | 82.4 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 22% | 0.221 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150 | 178.7 | 65.3 | 0 | 0 | 0 | 0 | 112 | L769 V770 P799 S800 P812 | L769-T814 WeakPolarHBondContact O-CA 3.13Å; L769-T814 WeakPolarHBondContact O-CB 3.47Å; V770-T814 HydrophobicContact CG1-CG2 4.38Å; V770-T814 HydrophobicContact CG2-CG2 4.2Å; P799-T814 CarbonylContact C-O 3.56Å; P799-T814 WeakPolarHBondContact CA-O 3.43Å; S800-T814 PolarHBondContact N-O 2.86Å; S800-T814 PolarHBondContact OG-N 2.96Å; S800-T814 PolarHBondContact OG-O 3.01Å; S800-T814 PolarHBondContact OG-OG1 3.16Å; P812-T814 HydrophobicContact CG-CG2 4.38Å; P812-T814 PolarHBondContact O-N 3.24Å |
| 815 | Q | 93.2 | Very high | 82 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.065 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 142.3 | 177.4 | -169.9 | 176.9 | 8.2 | 0 | 0 | 109.5 | L769 F797 P799 | L769-Q815 HydrophobicContact CB-CB 4.15Å; L769-Q815 WeakPolarHBondContact CB-O 3.33Å; L769-Q815 HydrophobicContact CD2-CB 4.4Å; L769-Q815 PolarHBondContact N-O 3.09Å; L769-Q815 PolarHBondContact O-N 3.23Å; L769-Q815 VanDerWaalsContact O-N 3.07Å; F797-Q815 WeakPolarHBondContact O-CG 3.34Å; F797-Q815 PolarHBondContact O-NE2 3.2Å; P799-Q815 HydrophobicContact CB-CB 4.2Å; P799-Q815 HydrophobicContact CB-CG 4.19Å |
| 816 | V | 92.6 | Very high | 81.9 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 140.3 | 177.4 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | T766 M767 F797 | T766-V816 HydrophobicContact CG2-CG1 4.12Å; M767-V816 WeakPolarHBondContact O-CA 3.3Å; F797-V816 HydrophobicContact CB-CB 4.09Å; F797-V816 WeakPolarHBondContact CB-O 3.12Å; F797-V816 HydrophobicContact CD2-CB 3.91Å; F797-V816 HydrophobicContact CD2-CG1 3.8Å; F797-V816 WeakPolarHBondContact CD2-O 3.32Å; F797-V816 HydrophobicContact CE2-CG1 4.25Å; F797-V816 HydrophobicContact CG-CB 4.23Å; F797-V816 PolarHBondContact N-O 2.92Å |
| 817 | L | 91.8 | Very high | 82 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.3 | 176.5 | -56.8 | 88.8 | 0 | 0 | 0 | 109.3 | F750 M767 L769 F784 L794 Q795 L796 | F750-L817 HydrophobicContact CE1-CD1 4.29Å; F750-L817 HydrophobicContact CZ-CD1 4.48Å; F750-L817 HydrophobicContact CZ-CD2 4.13Å; M767-L817 HydrophobicContact CB-CB 4.31Å; M767-L817 HydrophobicContact CE-CB 4.28Å; M767-L817 PolarHBondContact N-O 3.15Å; M767-L817 PolarHBondContact O-N 3.25Å; L769-L817 HydrophobicContact CB-CD1 3.72Å; F784-L817 HydrophobicContact CE1-CD2 3.63Å; F784-L817 HydrophobicContact CZ-CD2 4.06Å; L794-L817 HydrophobicContact CD1-CB 4.42Å; L794-L817 HydrophobicContact CD1-CD2 4.46Å; Q795-L817 WeakPolarHBondContact O-CA 3.37Å; L796-L817 HydrophobicContact CD2-CD2 3.59Å; L796-L817 HydrophobicContact CD2-CG 3.87Å |
| 818 | K | 89.7 | Confident | 82.5 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.3 | 168.5 | -101.6 | -174.7 | 173.5 | -176.6 | 0 | 110 | I764 T766 L794 Q795 F797 | I764-K818 HydrophobicContact CG2-CD 4.32Å; I764-K818 HydrophobicContact CG2-CG 4.37Å; T766-K818 HydrophobicContact CG2-CG 4.39Å; L794-K818 CarbonylContact C-O 3.58Å; L794-K818 WeakPolarHBondContact CA-O 3.41Å; Q795-K818 HydrophobicContact CB-CB 4.18Å; Q795-K818 PolarHBondContact N-O 2.97Å; Q795-K818 PolarHBondContact O-N 3.28Å; F797-K818 HydrophobicContact CE2-CB 4.25Å; F797-K818 HydrophobicContact CE2-CD 4.39Å; F797-K818 HydrophobicContact CE2-CG 4.34Å |
| 819 | L | 88 | Confident | 83.6 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 115.2 | 178.8 | 177.7 | 62.7 | 0 | 0 | 0 | 109.7 | I765 M767 V788 C792 Q793 L794 V821 P827 M829 F851 | I765-L819 HydrophobicContact CB-CB 4.37Å; I765-L819 PolarHBondContact N-O 3.39Å; I765-L819 PolarHBondContact O-N 3.11Å; M767-L819 HydrophobicContact CE-CB 3.59Å; M767-L819 HydrophobicContact CE-CD2 4.19Å; V788-L819 HydrophobicContact CB-CD1 4.36Å; V788-L819 HydrophobicContact CG1-CD1 3.83Å; V788-L819 HydrophobicContact CG2-CD1 4.34Å; C792-L819 HydrophobicContact CB-CD1 4.13Å; Q793-L819 CarbonylContact O-C 3.57Å; Q793-L819 WeakPolarHBondContact O-CA 3.21Å; L794-L819 HydrophobicContact CB-CD1 4.41Å; L794-L819 HydrophobicContact CD1-CB 4.42Å; L794-L819 HydrophobicContact CD1-CD1 4.48Å; L819-V821 HydrophobicContact CD1-CG2 4.39Å; L819-V821 HydrophobicContact CD2-CG2 3.89Å; L819-V821 HydrophobicContact CG-CG2 3.64Å; L819-P827 HydrophobicContact CD2-CB 3.91Å; L819-M829 HydrophobicContact CD2-CE 4.26Å; L819-F851 HydrophobicContact CD2-CZ 4.48Å |
| 820 | S | 85.5 | Confident | 84.7 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.6 | 173.1 | -53.8 | 0 | 0 | 0 | 0 | 109.4 | C792 Q793 | C792-S820 VanDerWaalsContact CA-O 3.25Å; C792-S820 WeakPolarHBondContact CA-O 3.4Å; C792-S820 WeakPolarHBondContact CB-O 3.17Å; Q793-S820 PolarHBondContact N-O 3.19Å; Q793-S820 PolarHBondContact O-N 3.35Å |
| 821 | V | 82 | Confident | 85.6 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.7 | -174.7 | -166.8 | 0 | 0 | 0 | 0 | 109.7 | F762 N763 I765 L819 V825 P827 | F762-V821 CarbonylContact C-O 3.59Å; F762-V821 WeakPolarHBondContact CA-O 3.33Å; N763-V821 PolarHBondContact N-O 3.09Å; N763-V821 PolarHBondContact O-N 3.14Å; I765-V821 HydrophobicContact CD1-CG2 3.76Å; I765-V821 HydrophobicContact CG1-CG2 4.47Å; L819-V821 HydrophobicContact CD1-CG2 4.39Å; L819-V821 HydrophobicContact CD2-CG2 3.89Å; L819-V821 HydrophobicContact CG-CG2 3.64Å; V821-V825 HydrophobicContact CG1-CB 4.22Å; V821-V825 VanDerWaalsContact CG1-O 3.25Å; V821-V825 WeakPolarHBondContact CG1-O 3.41Å; V821-P827 HydrophobicContact CG1-CB 4.26Å; V821-P827 HydrophobicContact CG2-CB 3.98Å |
| 822 | P | 79.3 | Confident | 86.3 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | trans | -60.7 | 143.5 | 172.2 | -18.1 | 29.3 | 0 | 0 | 0 | 110.7 | F762 S791 K824 V825 | F762-P822 HydrophobicContact CD1-CG 4.22Å; F762-P822 HydrophobicContact CE1-CB 4.49Å; F762-P822 HydrophobicContact CE1-CG 3.85Å; S791-P822 WeakPolarHBondContact O-CD 3.38Å; S791-P822 VanDerWaalsContact O-CG 3.28Å; S791-P822 WeakPolarHBondContact O-CG 3.37Å; P822-K824 PolarHBondContact O-N 3.26Å; P822-V825 HydrophobicContact CB-CB 4.39Å; P822-V825 HydrophobicContact CB-CG2 3.87Å; P822-V825 HydrophobicContact CG-CG2 4.31Å; P822-V825 WeakPolarHBondContact O-CB 3.38Å; P822-V825 PolarHBondContact O-N 2.71Å | ||
| 823 | P | 74.6 | Confident | 86.6 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 139.2 | -178.6 | 23.3 | -34 | 0 | 0 | 0 | 111.6 | H761 V825 | H761-P823 WeakPolarHBondContact O-CD 3.12Å; P823-V825 PolarHBondContact O-N 3.3Å |
| 824 | K | 73 | Confident | 86.6 | Confident | 173 Ų | 173 | 51.3 Ų | 51.3 | 75% | 0.752 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 10.1 | -177.6 | -51 | -176.3 | 179.8 | -176.6 | 0 | 115.9 | P822 W856 | P822-K824 PolarHBondContact O-N 3.26Å; K824-W856 VanDerWaalsContact CA-O 3.28Å; K824-W856 WeakPolarHBondContact CA-O 3.31Å; K824-W856 PolarHBondContact N-O 3.07Å |
| 825 | V | 79.8 | Confident | 86.6 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -94.7 | 121.2 | 170.7 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | V821 P822 P823 P827 | V821-V825 HydrophobicContact CG1-CB 4.22Å; V821-V825 VanDerWaalsContact CG1-O 3.25Å; V821-V825 WeakPolarHBondContact CG1-O 3.41Å; P822-V825 HydrophobicContact CB-CB 4.39Å; P822-V825 HydrophobicContact CB-CG2 3.87Å; P822-V825 HydrophobicContact CG-CG2 4.31Å; P822-V825 WeakPolarHBondContact O-CB 3.38Å; P822-V825 PolarHBondContact O-N 2.71Å; P823-V825 PolarHBondContact O-N 3.3Å; V825-P827 VanDerWaalsContact O-CD 3.3Å; V825-P827 WeakPolarHBondContact O-CD 3.39Å |
| 826 | R | 81.6 | Confident | 86.4 | Confident | 106 Ų | 106 | 50.5 Ų | 50.5 | 40% | 0.4 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 117.1 | 174.1 | -178.2 | 174.1 | 174.4 | 153.7 | 6.7 | 109.6 | D849 D850 W856 | R826-D849 VanDerWaalsContact CZ-O 3.24Å; R826-D849 PolarHBondContact NE-O 3.11Å; R826-D849 PolarHBondContact NH2-O 3.16Å; R826-D850 IonicContact CZ-OD1 2.71Å; R826-D850 IonicContact NH2-OD1 3.26Å; R826-D850 PolarHBondContact NH2-OD1 3.04Å; R826-W856 HydrophobicContact CB-CD2 4.25Å; R826-W856 HydrophobicContact CB-CE3 4.17Å; R826-W856 HydrophobicContact CB-CH2 3.97Å; R826-W856 HydrophobicContact CB-CZ2 4.03Å; R826-W856 HydrophobicContact CB-CZ3 4.03Å; R826-W856 HydrophobicContact CG-CH2 4.29Å; R826-W856 HydrophobicContact CG-CZ2 3.89Å |
| 827 | P | 81.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 150.9 | 179.5 | 24.9 | -31.1 | 0 | 0 | 0 | 111.7 | I765 L819 V821 V825 F851 W856 | I765-P827 HydrophobicContact CD1-CG 4.3Å; L819-P827 HydrophobicContact CD2-CB 3.91Å; V821-P827 HydrophobicContact CG1-CB 4.26Å; V821-P827 HydrophobicContact CG2-CB 3.98Å; V825-P827 VanDerWaalsContact O-CD 3.3Å; V825-P827 WeakPolarHBondContact O-CD 3.39Å; P827-F851 HydrophobicContact CB-CD2 3.99Å; P827-F851 HydrophobicContact CB-CE2 4.16Å; P827-F851 HydrophobicContact CB-CG 4.37Å; P827-F851 HydrophobicContact CG-CB 3.78Å; P827-F851 HydrophobicContact CG-CD1 4.35Å; P827-F851 HydrophobicContact CG-CD2 3.66Å; P827-F851 HydrophobicContact CG-CE2 4.31Å; P827-F851 HydrophobicContact CG-CG 3.67Å; P827-F851 WeakPolarHBondContact O-CD2 3.48Å; P827-W856 VanDerWaalsContact CD-CD1 3.49Å; P827-W856 VanDerWaalsContact CD-CG 3.44Å; P827-W856 HydrophobicContact CG-CB 4.41Å; P827-W856 HydrophobicContact CG-CG 4.31Å |
| 828 | R | 83.2 | Confident | 85.6 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 50% | 0.498 | 25% | 0.253 | S | S | . | . | trans | -140.7 | 139.5 | 175.5 | -59.5 | -168.9 | -176.8 | -176.6 | -1.1 | 108.7 | P789 D849 | P789-R828 WeakPolarHBondContact CD-O 3.4Å; P789-R828 HydrophobicContact CG-CB 4.49Å; R828-D849 VanDerWaalsContact CB-OD1 3.27Å; R828-D849 WeakPolarHBondContact CB-OD1 3.48Å; R828-D849 VanDerWaalsContact CD-OD1 3.27Å; R828-D849 WeakPolarHBondContact CD-OD1 3.4Å; R828-D849 WeakPolarHBondContact CG-OD1 3.23Å | ||
| 829 | M | 88.3 | Confident | 85.2 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 128.5 | -178.2 | -174.3 | -179.8 | -69.5 | 0 | 0 | 109.7 | F750 M767 A786 A787 V788 L794 L819 I831 Q847 L848 F851 | F750-M829 HydrophobicContact CE2-SD 4.39Å; M767-M829 HydrophobicContact CE-CE 4.39Å; A786-M829 HydrophobicContact CB-CG 3.9Å; A786-M829 HydrophobicContact CB-SD 3.72Å; A787-M829 WeakPolarHBondContact O-CA 3.17Å; V788-M829 HydrophobicContact CG1-CB 4.24Å; V788-M829 HydrophobicContact CG1-CE 4.12Å; V788-M829 HydrophobicContact CG1-CG 4.09Å; L794-M829 HydrophobicContact CD1-CE 3.84Å; L794-M829 HydrophobicContact CD2-CE 4.2Å; L819-M829 HydrophobicContact CD2-CE 4.26Å; M829-I831 HydrophobicContact CG-CD1 4.43Å; M829-I831 HydrophobicContact CG-CG1 3.89Å; M829-I831 HydrophobicContact SD-CD1 4.05Å; M829-I831 HydrophobicContact SD-CG1 3.97Å; M829-Q847 WeakPolarHBondContact O-CA 3.48Å; M829-L848 PolarHBondContact N-O 3.48Å; M829-L848 PolarHBondContact O-N 3.43Å; M829-F851 HydrophobicContact CB-CE2 4.39Å; M829-F851 HydrophobicContact CB-CZ 4.08Å; M829-F851 HydrophobicContact CE-CZ 4.4Å |
| 830 | K | 90.2 | Very high | 85 | Confident | 132 Ų | 132 | 59.5 Ų | 59.5 | 57% | 0.574 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 132.9 | 164.7 | -69.8 | -168.9 | 174.4 | -166.2 | 0 | 108.4 | A786 A787 Q847 | A786-K830 CarbonylContact C-O 3.59Å; A786-K830 VanDerWaalsContact CA-O 3.23Å; A786-K830 WeakPolarHBondContact CA-O 3.33Å; A787-K830 PolarHBondContact N-O 3.47Å; A787-K830 PolarHBondContact O-N 2.83Å; K830-Q847 HydrophobicContact CG-CB 4.41Å; K830-Q847 HydrophobicContact CG-CG 4.18Å |
| 831 | I | 92.7 | Very high | 85.2 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.9 | -176.4 | -61.9 | 177.2 | 0 | 0 | 0 | 108.1 | I740 F750 F784 Q785 A786 M829 L833 E845 F846 L848 | I740-I831 HydrophobicContact CD1-CD1 3.71Å; F750-I831 HydrophobicContact CZ-CD1 4.3Å; F784-I831 HydrophobicContact CD2-CG2 4.08Å; F784-I831 HydrophobicContact CE2-CD1 4.14Å; F784-I831 HydrophobicContact CE2-CG1 4.38Å; F784-I831 HydrophobicContact CE2-CG2 3.41Å; F784-I831 VanDerWaalsContact CE2-CG2 3.41Å; F784-I831 HydrophobicContact CZ-CD1 3.96Å; F784-I831 HydrophobicContact CZ-CG1 4.02Å; F784-I831 HydrophobicContact CZ-CG2 3.79Å; Q785-I831 WeakPolarHBondContact O-CA 3.45Å; A786-I831 HydrophobicContact CB-CG1 4.35Å; M829-I831 HydrophobicContact CG-CD1 4.43Å; M829-I831 HydrophobicContact CG-CG1 3.89Å; M829-I831 HydrophobicContact SD-CD1 4.05Å; M829-I831 HydrophobicContact SD-CG1 3.97Å; I831-L833 HydrophobicContact CG2-CD2 4.02Å; I831-L833 HydrophobicContact CG2-CG 4.27Å; I831-E845 WeakPolarHBondContact O-CA 3.31Å; I831-F846 HydrophobicContact CB-CD2 4.4Å; I831-F846 HydrophobicContact CB-CE1 4.12Å; I831-F846 HydrophobicContact CB-CE2 3.98Å; I831-F846 HydrophobicContact CB-CZ 3.82Å; I831-F846 HydrophobicContact CD1-CE2 3.84Å; I831-F846 HydrophobicContact CD1-CZ 4.09Å; I831-F846 HydrophobicContact CG1-CE2 4.39Å; I831-F846 HydrophobicContact CG2-CE1 3.8Å; I831-F846 HydrophobicContact CG2-CE2 4.25Å; I831-F846 HydrophobicContact CG2-CZ 3.59Å; I831-F846 PolarHBondContact N-O 2.99Å; I831-F846 PolarHBondContact O-N 2.83Å; I831-L848 HydrophobicContact CD1-CB 4.21Å; I831-L848 HydrophobicContact CD1-CD2 4.23Å |
| 832 | R | 93.5 | Very high | 85.6 | Confident | 93 Ų | 93 | 65.7 Ų | 65.7 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.6 | 170.7 | 177.5 | 178.2 | -174.7 | -166.6 | -1.3 | 108.3 | Q785 T843 D844 E845 | Q785-R832 HydrophobicContact CB-CB 4.23Å; Q785-R832 PolarHBondContact N-O 2.84Å; Q785-R832 PolarHBondContact O-N 3.49Å; R832-T843 HydrophobicContact CG-CG2 4.03Å; R832-D844 WeakPolarHBondContact CA-O 3.46Å; R832-E845 HydrophobicContact CB-CG 3.87Å; R832-E845 VanDerWaalsContact CD-OE1 3.26Å; R832-E845 WeakPolarHBondContact CD-OE1 3.36Å; R832-E845 HydrophobicContact CG-CG 3.74Å; R832-E845 IonicContact NE-OE1 3.59Å; R832-E845 PolarHBondContact NE-OE1 3.28Å |
| 833 | L | 93 | Very high | 86.2 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.9 | 174 | -58.2 | 179 | 0 | 0 | 0 | 108.5 | Y741 I748 F782 F784 I831 F835 T843 D844 F846 | Y741-L833 HydrophobicContact CD1-CD1 3.87Å; Y741-L833 HydrophobicContact CD2-CD1 3.65Å; Y741-L833 HydrophobicContact CE1-CD1 4.02Å; Y741-L833 HydrophobicContact CE2-CD1 3.81Å; Y741-L833 HydrophobicContact CG-CD1 3.67Å; I748-L833 HydrophobicContact CD1-CD1 3.58Å; I748-L833 HydrophobicContact CD1-CD2 3.84Å; I748-L833 HydrophobicContact CD1-CG 4.39Å; F782-L833 HydrophobicContact CE2-CD2 4.29Å; F782-L833 HydrophobicContact CZ-CD2 4.05Å; F784-L833 HydrophobicContact CB-CD2 4.47Å; F784-L833 HydrophobicContact CD2-CD2 3.47Å; F784-L833 VanDerWaalsContact CD2-CD2 3.47Å; F784-L833 HydrophobicContact CE2-CD2 4.11Å; F784-L833 HydrophobicContact CG-CD2 4.35Å; I831-L833 HydrophobicContact CG2-CD2 4.02Å; I831-L833 HydrophobicContact CG2-CG 4.27Å; L833-F835 HydrophobicContact CB-CD1 4.4Å; L833-F835 HydrophobicContact CB-CE1 4.45Å; L833-T843 CarbonylContact O-C 3.43Å; L833-T843 WeakPolarHBondContact O-CA 3.4Å; L833-D844 PolarHBondContact N-O 3.4Å; L833-D844 PolarHBondContact O-N 2.85Å; L833-F846 HydrophobicContact CD1-CE1 3.81Å; L833-F846 HydrophobicContact CD1-CZ 4.4Å; L833-F846 HydrophobicContact CG-CE1 4Å |
| 834 | Q | 92.2 | Very high | 87 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 29% | 0.29 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.8 | 168.8 | 179.8 | 170.3 | -23.2 | 0 | 0 | 108.8 | F782 E783 T841 K842 | F782-Q834 CarbonylContact C-O 3.6Å; F782-Q834 WeakPolarHBondContact CA-O 3.45Å; E783-Q834 HydrophobicContact CB-CB 4.4Å; E783-Q834 PolarHBondContact N-O 2.94Å; E783-Q834 PolarHBondContact O-N 2.57Å; Q834-T841 HydrophobicContact CG-CG2 4.15Å; Q834-K842 WeakPolarHBondContact CA-O 3.45Å |
| 835 | F | 93 | Very high | 87.9 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 158.5 | -178.5 | 56 | -89.2 | 0 | 0 | 0 | 111.7 | N744 I746 I779 F782 L833 K837 T841 K842 | N744-F835 HydrophobicContact CB-CE2 4.01Å; N744-F835 HydrophobicContact CB-CZ 3.71Å; I746-F835 HydrophobicContact CD1-CD1 3.88Å; I746-F835 HydrophobicContact CD1-CD2 3.86Å; I746-F835 HydrophobicContact CD1-CE1 3.85Å; I746-F835 HydrophobicContact CD1-CE2 3.81Å; I746-F835 HydrophobicContact CD1-CG 3.89Å; I746-F835 HydrophobicContact CD1-CZ 3.82Å; I779-F835 HydrophobicContact CG2-CB 3.74Å; I779-F835 HydrophobicContact CG2-CD2 3.76Å; I779-F835 HydrophobicContact CG2-CG 4.05Å; F782-F835 HydrophobicContact CD2-CB 4.19Å; L833-F835 HydrophobicContact CB-CD1 4.4Å; L833-F835 HydrophobicContact CB-CE1 4.45Å; F835-K837 HydrophobicContact CD2-CB 4.24Å; F835-K837 HydrophobicContact CE2-CB 4.31Å; F835-T841 CarbonylContact O-C 3.53Å; F835-T841 WeakPolarHBondContact O-CA 3.46Å; F835-K842 HydrophobicContact CD2-CB 4.28Å; F835-K842 HydrophobicContact CE1-CB 4.35Å; F835-K842 HydrophobicContact CE2-CB 3.78Å; F835-K842 HydrophobicContact CE2-CD 4.13Å; F835-K842 HydrophobicContact CE2-CG 4.28Å; F835-K842 HydrophobicContact CZ-CB 3.82Å; F835-K842 HydrophobicContact CZ-CD 4.34Å; F835-K842 PolarHBondContact N-O 2.94Å; F835-K842 VanDerWaalsContact N-O 3.09Å; F835-K842 PolarHBondContact O-N 3.42Å |
| 836 | V | 89.5 | Confident | 88.5 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 117.6 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | N780 E840 T841 | N780-V836 HydrophobicContact CB-CB 4.48Å; N780-V836 PolarHBondContact N-O 3.05Å; N780-V836 PolarHBondContact O-N 3.45Å; V836-E840 CarbonylContact C-O 3.56Å; V836-E840 VanDerWaalsContact CA-O 3.31Å; V836-E840 WeakPolarHBondContact CA-O 3.4Å; V836-T841 HydrophobicContact CG2-CG2 4.46Å |
| 837 | K | 85.3 | Confident | 88.7 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.2 | 177.3 | -178.8 | 179.2 | 179.6 | -177.8 | 0 | 109.5 | N744 E745 I779 F835 G839 E840 | N744-K837 PolarHBondContact O-NZ 3Å; E745-K837 IonicContact OE1-NZ 2.73Å; E745-K837 PolarHBondContact OE1-NZ 3.23Å; E745-K837 WeakPolarHBondContact OE2-CE 3.41Å; E745-K837 IonicContact OE2-NZ 2.79Å; E745-K837 PolarHBondContact OE2-NZ 3.3Å; I779-K837 HydrophobicContact CD1-CD 4.36Å; I779-K837 HydrophobicContact CG1-CB 4.48Å; I779-K837 HydrophobicContact CG1-CG 4.37Å; F835-K837 HydrophobicContact CD2-CB 4.24Å; F835-K837 HydrophobicContact CE2-CB 4.31Å; K837-G839 PolarHBondContact O-N 2.8Å; K837-G839 VanDerWaalsContact O-N 3.09Å; K837-E840 PolarHBondContact N-O 2.94Å; K837-E840 PolarHBondContact O-N 2.84Å |
| 838 | N | 82.6 | Confident | 89 | Confident | 114 Ų | 114 | 64.5 Ų | 64.5 | 61% | 0.61 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 29.4 | -178.8 | -56.9 | -5 | 0 | 0 | 0 | 113.7 | E840 | N838-E840 VanDerWaalsContact C-N 3.34Š|
| 839 | G | 79.9 | Confident | 89 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -14.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | K837 | K837-G839 PolarHBondContact O-N 2.8Å; K837-G839 VanDerWaalsContact O-N 3.09Å |
| 840 | E | 84.9 | Confident | 88.6 | Confident | 129 Ų | 129 | 65.9 Ų | 65.9 | 60% | 0.603 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133.2 | 176.3 | -65.2 | -174 | 158.4 | 0 | 0 | 111.5 | V836 K837 N838 | V836-E840 CarbonylContact C-O 3.56Å; V836-E840 VanDerWaalsContact CA-O 3.31Å; V836-E840 WeakPolarHBondContact CA-O 3.4Å; K837-E840 PolarHBondContact N-O 2.94Å; K837-E840 PolarHBondContact O-N 2.84Å; N838-E840 VanDerWaalsContact C-N 3.34Å |
| 841 | T | 89.9 | Confident | 88.3 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.9 | 170.8 | -55 | 0 | 0 | 0 | 0 | 109.3 | Q834 F835 V836 | Q834-T841 HydrophobicContact CG-CG2 4.15Å; F835-T841 CarbonylContact O-C 3.53Å; F835-T841 WeakPolarHBondContact O-CA 3.46Å; V836-T841 HydrophobicContact CG2-CG2 4.46Å |
| 842 | K | 89.9 | Confident | 87.8 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 30% | 0.296 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 154.1 | 173.1 | -63 | -160.7 | 179 | -162.2 | 0 | 110.9 | N744 Q834 F835 | N744-K842 WeakPolarHBondContact OD1-CD 3.36Å; N744-K842 PolarHBondContact OD1-NZ 3.32Å; Q834-K842 WeakPolarHBondContact CA-O 3.45Å; F835-K842 HydrophobicContact CD2-CB 4.28Å; F835-K842 HydrophobicContact CE1-CB 4.35Å; F835-K842 HydrophobicContact CE2-CB 3.78Å; F835-K842 HydrophobicContact CE2-CD 4.13Å; F835-K842 HydrophobicContact CE2-CG 4.28Å; F835-K842 HydrophobicContact CZ-CB 3.82Å; F835-K842 HydrophobicContact CZ-CD 4.34Å; F835-K842 PolarHBondContact N-O 2.94Å; F835-K842 VanDerWaalsContact N-O 3.09Å; F835-K842 PolarHBondContact O-N 3.42Å |
| 843 | T | 91.5 | Very high | 86.9 | Confident | 59 Ų | 59 | 62 Ų | 62 | 36% | 0.362 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 121.3 | 175.1 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | R832 L833 | R832-T843 HydrophobicContact CG-CG2 4.03Å; L833-T843 CarbonylContact O-C 3.43Å; L833-T843 WeakPolarHBondContact O-CA 3.4Å |
| 844 | D | 91.7 | Very high | 86.2 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.2 | 178.9 | -74.9 | -14.4 | 0 | 0 | 0 | 110 | Y741 N744 R832 L833 | Y741-D844 HydrophobicContact CE2-CB 4.12Å; Y741-D844 WeakPolarHBondContact CE2-OD2 3.43Å; Y741-D844 PolarHBondContact OH-OD2 3.15Å; N744-D844 PolarHBondContact ND2-OD2 2.96Å; R832-D844 WeakPolarHBondContact CA-O 3.46Å; L833-D844 PolarHBondContact N-O 3.4Å; L833-D844 PolarHBondContact O-N 2.85Å |
| 845 | E | 91.3 | Very high | 85.2 | Confident | 144 Ų | 144 | 65.3 Ų | 65.3 | 67% | 0.673 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.9 | 175.9 | -67.9 | -170.3 | -173.4 | 0 | 0 | 110.9 | I831 R832 | I831-E845 WeakPolarHBondContact O-CA 3.31Å; R832-E845 HydrophobicContact CB-CG 3.87Å; R832-E845 VanDerWaalsContact CD-OE1 3.26Å; R832-E845 WeakPolarHBondContact CD-OE1 3.36Å; R832-E845 HydrophobicContact CG-CG 3.74Å; R832-E845 IonicContact NE-OE1 3.59Å; R832-E845 PolarHBondContact NE-OE1 3.28Å |
| 846 | F | 92 | Very high | 84.2 | Confident | 52 Ų | 52 | 67 Ų | 67 | 23% | 0.228 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 168 | 178.4 | 60.8 | -84.1 | 0 | 0 | 0 | 111.7 | I740 Y741 I831 L833 | I740-F846 HydrophobicContact CB-CE2 4.4Å; I740-F846 HydrophobicContact CD1-CZ 4.33Å; I740-F846 WeakPolarHBondContact O-CE2 3.4Å; Y741-F846 HydrophobicContact CD2-CD1 4.07Å; Y741-F846 AromaticContact CD2-CE1 3.54Å; Y741-F846 HydrophobicContact CD2-CE1 3.54Å; Y741-F846 HydrophobicContact CD2-CZ 4.04Å; Y741-F846 HydrophobicContact CE2-CE1 4.28Å; Y741-F846 HydrophobicContact CG-CE1 4.26Å; Y741-F846 HydrophobicContact CG-CZ 4.4Å; I831-F846 HydrophobicContact CB-CD2 4.4Å; I831-F846 HydrophobicContact CB-CE1 4.12Å; I831-F846 HydrophobicContact CB-CE2 3.98Å; I831-F846 HydrophobicContact CB-CZ 3.82Å; I831-F846 HydrophobicContact CD1-CE2 3.84Å; I831-F846 HydrophobicContact CD1-CZ 4.09Å; I831-F846 HydrophobicContact CG1-CE2 4.39Å; I831-F846 HydrophobicContact CG2-CE1 3.8Å; I831-F846 HydrophobicContact CG2-CE2 4.25Å; I831-F846 HydrophobicContact CG2-CZ 3.59Å; I831-F846 PolarHBondContact N-O 2.99Å; I831-F846 PolarHBondContact O-N 2.83Å; L833-F846 HydrophobicContact CD1-CE1 3.81Å; L833-F846 HydrophobicContact CD1-CZ 4.4Å; L833-F846 HydrophobicContact CG-CE1 4Å |
| 847 | Q | 87.9 | Confident | 83.1 | Confident | 92 Ų | 92 | 72 Ų | 72 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129 | 179.5 | -173.1 | 174.8 | -47 | 0 | 0 | 110.7 | M829 K830 D849 | M829-Q847 WeakPolarHBondContact O-CA 3.48Å; K830-Q847 HydrophobicContact CG-CB 4.41Å; K830-Q847 HydrophobicContact CG-CG 4.18Å; Q847-D849 VanDerWaalsContact NE2-CG 3.29Å; Q847-D849 PolarHBondContact NE2-OD1 2.65Å; Q847-D849 PolarHBondContact NE2-OD2 3.44Å |
| 848 | L | 87.6 | Confident | 83 | Confident | 17 Ų | 17 | 74.8 Ų | 74.8 | 9% | 0.089 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 110.3 | 175.1 | 178.7 | 65.3 | 0 | 0 | 0 | 109.3 | T738 I740 F750 M829 I831 F851 | T738-L848 HydrophobicContact CG2-CD1 4.46Å; I740-L848 HydrophobicContact CB-CD2 4.43Å; I740-L848 HydrophobicContact CG2-CD1 3.96Å; I740-L848 HydrophobicContact CG2-CD2 3.61Å; I740-L848 HydrophobicContact CG2-CG 4.42Å; F750-L848 HydrophobicContact CD2-CD2 3.96Å; F750-L848 HydrophobicContact CE2-CD2 3.71Å; M829-L848 PolarHBondContact N-O 3.48Å; M829-L848 PolarHBondContact O-N 3.43Å; I831-L848 HydrophobicContact CD1-CB 4.21Å; I831-L848 HydrophobicContact CD1-CD2 4.23Å; L848-F851 HydrophobicContact CD2-CE1 3.95Å; L848-F851 HydrophobicContact CD2-CE2 4.03Å; L848-F851 HydrophobicContact CD2-CZ 3.56Å; L848-F851 HydrophobicContact CG-CD2 4.46Å; L848-F851 HydrophobicContact CG-CE2 3.85Å; L848-F851 HydrophobicContact CG-CZ 3.92Å; L848-F851 WeakPolarHBondContact O-CE2 3.42Å |
| 849 | D | 82 | Confident | 83 | Confident | 50 Ų | 50 | 72.7 Ų | 72.7 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | trans | -111.8 | -9.4 | 175.9 | -70.8 | -19.3 | 0 | 0 | 0 | 112.7 | R826 R828 Q847 F851 | R826-D849 VanDerWaalsContact CZ-O 3.24Å; R826-D849 PolarHBondContact NE-O 3.11Å; R826-D849 PolarHBondContact NH2-O 3.16Å; R828-D849 VanDerWaalsContact CB-OD1 3.27Å; R828-D849 WeakPolarHBondContact CB-OD1 3.48Å; R828-D849 VanDerWaalsContact CD-OD1 3.27Å; R828-D849 WeakPolarHBondContact CD-OD1 3.4Å; R828-D849 WeakPolarHBondContact CG-OD1 3.23Å; Q847-D849 VanDerWaalsContact NE2-CG 3.29Å; Q847-D849 PolarHBondContact NE2-OD1 2.65Å; Q847-D849 PolarHBondContact NE2-OD2 3.44Å; D849-F851 PolarHBondContact O-N 3.1Å | ||
| 850 | D | 81 | Confident | 83.2 | Confident | 112 Ų | 112 | 72.9 Ų | 72.9 | 60% | 0.599 | 37% | 0.369 | S | S | * | . | trans | -104.2 | 68.9 | -168.9 | -146.2 | 44.9 | 0 | 0 | 0 | 113.3 | R826 | R826-D850 IonicContact CZ-OD1 2.71Å; R826-D850 IonicContact NH2-OD1 3.26Å; R826-D850 PolarHBondContact NH2-OD1 3.04Å | ||
| 851 | F | 83.3 | Confident | 83.1 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | trans | -86.8 | 138.5 | 173 | -68 | -93.7 | 0 | 0 | 0 | 111.2 | F752 M767 L819 P827 M829 L848 D849 Q853 W856 | F752-F851 AromaticContact CE1-CD1 3.99Å; F752-F851 HydrophobicContact CE1-CD1 3.99Å; F752-F851 HydrophobicContact CE1-CE1 4.5Å; F752-F851 HydrophobicContact CZ-CD1 4.28Å; M767-F851 HydrophobicContact SD-CD1 4.37Å; M767-F851 HydrophobicContact SD-CE1 3.76Å; L819-F851 HydrophobicContact CD2-CZ 4.48Å; P827-F851 HydrophobicContact CB-CD2 3.99Å; P827-F851 HydrophobicContact CB-CE2 4.16Å; P827-F851 HydrophobicContact CB-CG 4.37Å; P827-F851 HydrophobicContact CG-CB 3.78Å; P827-F851 HydrophobicContact CG-CD1 4.35Å; P827-F851 HydrophobicContact CG-CD2 3.66Å; P827-F851 HydrophobicContact CG-CE2 4.31Å; P827-F851 HydrophobicContact CG-CG 3.67Å; P827-F851 WeakPolarHBondContact O-CD2 3.48Å; M829-F851 HydrophobicContact CB-CE2 4.39Å; M829-F851 HydrophobicContact CB-CZ 4.08Å; M829-F851 HydrophobicContact CE-CZ 4.4Å; L848-F851 HydrophobicContact CD2-CE1 3.95Å; L848-F851 HydrophobicContact CD2-CE2 4.03Å; L848-F851 HydrophobicContact CD2-CZ 3.56Å; L848-F851 HydrophobicContact CG-CD2 4.46Å; L848-F851 HydrophobicContact CG-CE2 3.85Å; L848-F851 HydrophobicContact CG-CZ 3.92Å; L848-F851 WeakPolarHBondContact O-CE2 3.42Å; D849-F851 PolarHBondContact O-N 3.1Å; F851-Q853 PolarHBondContact O-N 2.9Å; F851-W856 PolarHBondContact O-NE1 3.27Å | ||
| 852 | P | 81.7 | Confident | 82.6 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | trans | -48.2 | 130.9 | 176 | -29.7 | 34.1 | 0 | 0 | 0 | 113.2 | I735 P736 F752 V854 L855 | I735-P852 HydrophobicContact CG2-CB 4.14Å; I735-P852 HydrophobicContact CG2-CG 4.33Å; P736-P852 HydrophobicContact CG-CB 4.47Å; P736-P852 HydrophobicContact CG-CG 4.42Å; F752-P852 HydrophobicContact CD2-CG 4.01Å; F752-P852 HydrophobicContact CE2-CG 3.6Å; F752-P852 HydrophobicContact CZ-CG 4.05Å; P852-V854 PolarHBondContact O-N 3.15Å; P852-V854 VanDerWaalsContact O-N 3.16Å; P852-L855 HydrophobicContact CB-CD1 4Å; P852-L855 HydrophobicContact CB-CG 4.29Å; P852-L855 HydrophobicContact CG-CD1 4.1Å; P852-L855 WeakPolarHBondContact O-CB 3.27Å; P852-L855 PolarHBondContact O-N 3.36Å; P852-L855 VanDerWaalsContact O-N 3.08Å | ||
| 853 | Q | 75.9 | Confident | 82.2 | Confident | 121 Ų | 121 | 68.5 Ų | 68.5 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -58.4 | -33.8 | -171.9 | -63.8 | -172.4 | 16.3 | 0 | 0 | 113.4 | F851 L855 W856 Q857 | F851-Q853 PolarHBondContact O-N 2.9Å; Q853-L855 PolarHBondContact O-N 3.37Å; Q853-W856 HydrophobicContact CG-CZ2 4.25Å; Q853-W856 PolarHBondContact O-N 3.31Å; Q853-Q857 HydrophobicContact CB-CG 4.49Å; Q853-Q857 PolarHBondContact O-N 3.37Å; Q853-Q857 VanDerWaalsContact O-N 3.09Å |
| 854 | V | 76.3 | Confident | 81.5 | Confident | 116 Ų | 116 | 69.2 Ų | 69.2 | 70% | 0.703 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -57.2 | -17.7 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 113.4 | P852 | P852-V854 PolarHBondContact O-N 3.15Å; P852-V854 VanDerWaalsContact O-N 3.16Å |
| 855 | L | 72.7 | Confident | 80.7 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 9% | 0.089 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -87.1 | -19.8 | -177.5 | -62.4 | 170.2 | 0 | 0 | 0 | 114.3 | I735 F752 I765 P852 Q853 | I735-L855 HydrophobicContact CD1-CD2 3.81Å; I735-L855 HydrophobicContact CG2-CD2 4.2Å; I735-L855 HydrophobicContact CG2-CG 4.38Å; F752-L855 HydrophobicContact CB-CD1 4.42Å; F752-L855 HydrophobicContact CB-CD2 4.24Å; F752-L855 HydrophobicContact CD1-CD1 3.28Å; F752-L855 HydrophobicContact CD1-CD2 4.33Å; F752-L855 HydrophobicContact CD1-CG 4.43Å; F752-L855 HydrophobicContact CD2-CD1 4.36Å; F752-L855 HydrophobicContact CE1-CD1 3.47Å; F752-L855 VanDerWaalsContact CE1-CD1 3.47Å; F752-L855 HydrophobicContact CG-CD1 3.77Å; F752-L855 HydrophobicContact CG-CD2 4.47Å; F752-L855 HydrophobicContact CZ-CD1 4.11Å; I765-L855 HydrophobicContact CD1-CB 3.8Å; I765-L855 HydrophobicContact CG1-CB 4.09Å; I765-L855 HydrophobicContact CG2-CD1 4.15Å; I765-L855 HydrophobicContact CG2-CD2 4.2Å; P852-L855 HydrophobicContact CB-CD1 4Å; P852-L855 HydrophobicContact CB-CG 4.29Å; P852-L855 HydrophobicContact CG-CD1 4.1Å; P852-L855 WeakPolarHBondContact O-CB 3.27Å; P852-L855 PolarHBondContact O-N 3.36Å; P852-L855 VanDerWaalsContact O-N 3.08Å; Q853-L855 PolarHBondContact O-N 3.37Å |
| 856 | W | 71.6 | Confident | 79.8 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 13% | 0.129 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.8 | -13.2 | -167.3 | 62.4 | -95.7 | 0 | 0 | 0 | 115.5 | K824 R826 P827 F851 Q853 | K824-W856 VanDerWaalsContact CA-O 3.28Å; K824-W856 WeakPolarHBondContact CA-O 3.31Å; K824-W856 PolarHBondContact N-O 3.07Å; R826-W856 HydrophobicContact CB-CD2 4.25Å; R826-W856 HydrophobicContact CB-CE3 4.17Å; R826-W856 HydrophobicContact CB-CH2 3.97Å; R826-W856 HydrophobicContact CB-CZ2 4.03Å; R826-W856 HydrophobicContact CB-CZ3 4.03Å; R826-W856 HydrophobicContact CG-CH2 4.29Å; R826-W856 HydrophobicContact CG-CZ2 3.89Å; P827-W856 VanDerWaalsContact CD-CD1 3.49Å; P827-W856 VanDerWaalsContact CD-CG 3.44Å; P827-W856 HydrophobicContact CG-CB 4.41Å; P827-W856 HydrophobicContact CG-CG 4.31Å; F851-W856 PolarHBondContact O-NE1 3.27Å; Q853-W856 HydrophobicContact CG-CZ2 4.25Å; Q853-W856 PolarHBondContact O-N 3.31Å |
| 857 | Q | 66 | Low | 78.7 | Confident | 139 Ų | 139 | 65.7 Ų | 65.7 | 65% | 0.65 | 33% | 0.334 | S | S | * | . | trans | -79.1 | 0 | 166.2 | -68.9 | -175.3 | 9.7 | 0 | 0 | 111.4 | Q853 | Q853-Q857 HydrophobicContact CB-CG 4.49Å; Q853-Q857 PolarHBondContact O-N 3.37Å; Q853-Q857 VanDerWaalsContact O-N 3.09Å |
Retrieved 857 of 857 residues in 257.6 ms
(Link to these results)