| 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 | 34.3 | Very low | 43.6 | Very low | 227 Ų | 227 | 109.8 Ų | 109.8 | 100% | 1.118 | 56% | 0.559 | S | S | * | * | 0 | 96.2 | 0 | -105.6 | 177.5 | 177.4 | 0 | 0 | 107.1 | I3 | M1-I3 PolarHBondContact O-N 2.89Š| |||
| 2 | Q | 34.4 | Very low | 44.8 | Very low | 173 Ų | 173 | 111.1 Ų | 111.1 | 81% | 0.808 | 56% | 0.561 | S | S | * | * | trans | -69.4 | 108.3 | 166 | -85.1 | 175.9 | -34.4 | 0 | 0 | 106.9 | N4 | Q2-N4 VanDerWaalsContact C-N 3.27Å; Q2-N4 PolarHBondContact O-N 3.33Å; Q2-N4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | I | 44.4 | Very low | 45.5 | Very low | 89 Ų | 89 | 105.2 Ų | 105.2 | 46% | 0.456 | 53% | 0.534 | S | S | . | . | trans | -78.4 | 92.9 | 165.1 | -54.9 | 175.8 | 0 | 0 | 0 | 104.8 | M1 Y5 G260 | M1-I3 PolarHBondContact O-N 2.89Å; I3-Y5 HydrophobicContact CB-CD2 4.11Å; I3-Y5 HydrophobicContact CB-CE2 3.71Å; I3-Y5 HydrophobicContact CG2-CD1 4.24Å; I3-Y5 HydrophobicContact CG2-CD2 3.67Å; I3-Y5 HydrophobicContact CG2-CE1 3.95Å; I3-Y5 HydrophobicContact CG2-CE2 3.33Å; I3-Y5 HydrophobicContact CG2-CG 4.12Å; I3-Y5 VanDerWaalsContact CG2-CZ 3.49Å; I3-Y5 WeakPolarHBondContact O-CD2 3.39Å; I3-Y5 PolarHBondContact O-N 3.31Å; I3-G260 WeakPolarHBondContact CD1-O 3.37Å | ||
| 4 | N | 37 | Very low | 46.5 | Very low | 147 Ų | 147 | 99.6 Ų | 99.6 | 79% | 0.786 | 51% | 0.506 | S | S | * | . | trans | -70.4 | 87.3 | 173.7 | -160.1 | 3 | 0 | 0 | 0 | 107.3 | Q2 T6 | Q2-N4 VanDerWaalsContact C-N 3.27Å; Q2-N4 PolarHBondContact O-N 3.33Å; Q2-N4 VanDerWaalsContact O-N 3.1Å; N4-T6 PolarHBondContact O-N 3.21Å | ||
| 5 | Y | 43 | Very low | 47.4 | Very low | 92 Ų | 92 | 98.4 Ų | 98.4 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | trans | -70.5 | 101.4 | 172.4 | -71.5 | -84.6 | 0 | 0 | 0 | 107.4 | I3 A7 L10 G260 | I3-Y5 HydrophobicContact CB-CD2 4.11Å; I3-Y5 HydrophobicContact CB-CE2 3.71Å; I3-Y5 HydrophobicContact CG2-CD1 4.24Å; I3-Y5 HydrophobicContact CG2-CD2 3.67Å; I3-Y5 HydrophobicContact CG2-CE1 3.95Å; I3-Y5 HydrophobicContact CG2-CE2 3.33Å; I3-Y5 HydrophobicContact CG2-CG 4.12Å; I3-Y5 VanDerWaalsContact CG2-CZ 3.49Å; I3-Y5 WeakPolarHBondContact O-CD2 3.39Å; I3-Y5 PolarHBondContact O-N 3.31Å; Y5-A7 PolarHBondContact O-N 2.73Å; Y5-L10 HydrophobicContact CG-CD1 4.22Å; Y5-G260 PolarHBondContact OH-O 2.67Å | ||
| 6 | T | 40.7 | Very low | 48.3 | Very low | 79 Ų | 79 | 102.7 Ų | 102.7 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | trans | -55.8 | 132.6 | 169.8 | 49.1 | 0 | 0 | 0 | 0 | 108.8 | N4 P8 R9 | N4-T6 PolarHBondContact O-N 3.21Å; T6-P8 WeakPolarHBondContact O-CD 3.05Å; T6-R9 PolarHBondContact O-N 3.34Å | ||
| 7 | A | 43.8 | Very low | 49.1 | Very low | 66 Ų | 66 | 97.5 Ų | 97.5 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -38.5 | -38.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y5 R9 L10 E11 | Y5-A7 PolarHBondContact O-N 2.73Å; A7-R9 PolarHBondContact O-N 3.06Å; A7-L10 WeakPolarHBondContact O-CB 3.23Å; A7-L10 PolarHBondContact O-N 3.32Å; A7-E11 PolarHBondContact O-N 3.38Å |
| 8 | P | 43.1 | Very low | 50 | Low | 83 Ų | 83 | 97.1 Ų | 97.1 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -35 | 176.2 | 20.4 | -34.5 | 0 | 0 | 0 | 114.9 | T6 L10 E11 E12 | T6-P8 WeakPolarHBondContact O-CD 3.05Å; P8-L10 VanDerWaalsContact C-N 3.32Å; P8-L10 PolarHBondContact O-N 2.89Å; P8-E11 PolarHBondContact O-N 2.83Å; P8-E12 PolarHBondContact O-N 3.01Å |
| 9 | R | 53.2 | Low | 51.1 | Low | 151 Ų | 151 | 97.7 Ų | 97.7 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.7 | -29.6 | 177.6 | -84.6 | -166.5 | 169.4 | -171.8 | -1.5 | 112.6 | T6 A7 V13 | T6-R9 PolarHBondContact O-N 3.34Å; A7-R9 PolarHBondContact O-N 3.06Å; R9-V13 WeakPolarHBondContact O-CG2 2.95Å; R9-V13 PolarHBondContact O-N 3.04Å |
| 10 | L | 51 | Low | 52 | Low | 14 Ų | 14 | 97.3 Ų | 97.3 | 7% | 0.073 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 175 | -113.6 | 61.2 | 0 | 0 | 0 | 111.6 | Y5 A7 P8 E12 V13 I14 A171 | Y5-L10 HydrophobicContact CG-CD1 4.22Å; A7-L10 WeakPolarHBondContact O-CB 3.23Å; A7-L10 PolarHBondContact O-N 3.32Å; P8-L10 VanDerWaalsContact C-N 3.32Å; P8-L10 PolarHBondContact O-N 2.89Å; L10-E12 VanDerWaalsContact C-N 3.29Å; L10-E12 PolarHBondContact O-N 2.95Å; L10-V13 PolarHBondContact O-N 3.31Å; L10-I14 HydrophobicContact CB-CD1 4.41Å; L10-I14 WeakPolarHBondContact O-CB 3.48Å; L10-I14 WeakPolarHBondContact O-CD1 3.31Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.38Å; L10-I14 PolarHBondContact O-N 3.38Å; L10-A171 HydrophobicContact CD1-CB 3.12Å; L10-A171 VanDerWaalsContact CD2-CA 3.45Å; L10-A171 HydrophobicContact CD2-CB 3.76Å; L10-A171 HydrophobicContact CG-CB 3.36Å |
| 11 | E | 54.9 | Low | 52.8 | Low | 87 Ų | 87 | 94.5 Ų | 94.5 | 41% | 0.407 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | -176.4 | -66.2 | -175.9 | 171 | 0 | 0 | 110.9 | A7 P8 S15 K91 | A7-E11 PolarHBondContact O-N 3.38Å; P8-E11 PolarHBondContact O-N 2.83Å; E11-S15 VanDerWaalsContact O-CB 3.26Å; E11-S15 WeakPolarHBondContact O-CB 3.25Å; E11-S15 PolarHBondContact O-N 3.03Å; E11-S15 PolarHBondContact O-OG 2.96Å; E11-K91 WeakPolarHBondContact OE1-CD 3.17Å; E11-K91 VanDerWaalsContact OE1-CE 3.32Å; E11-K91 WeakPolarHBondContact OE1-CE 3.46Å; E11-K91 IonicContact OE1-NZ 3.69Å; E11-K91 PolarHBondContact OE1-NZ 2.79Å |
| 12 | E | 57.5 | Low | 54.7 | Low | 125 Ų | 125 | 85 Ų | 85 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 171.5 | -73.4 | -178.5 | 171.2 | 0 | 0 | 112.4 | P8 L10 S15 Y16 | P8-E12 PolarHBondContact O-N 3.01Å; L10-E12 VanDerWaalsContact C-N 3.29Å; L10-E12 PolarHBondContact O-N 2.95Å; E12-S15 WeakPolarHBondContact CA-OG 3.49Å; E12-S15 PolarHBondContact O-OG 3.44Å; E12-S15 VanDerWaalsContact O-OG 3.11Å; E12-Y16 WeakPolarHBondContact O-CB 3.37Å; E12-Y16 PolarHBondContact O-N 3.28Å |
| 13 | V | 54 | Low | 56.8 | Low | 35 Ų | 35 | 82 Ų | 82 | 21% | 0.212 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | R9 L10 S17 M265 | R9-V13 WeakPolarHBondContact O-CG2 2.95Å; R9-V13 PolarHBondContact O-N 3.04Å; L10-V13 PolarHBondContact O-N 3.31Å; V13-S17 WeakPolarHBondContact O-CA 2.96Å; V13-S17 WeakPolarHBondContact O-CB 3.41Å; V13-S17 PolarHBondContact O-N 2.95Å; V13-S17 PolarHBondContact O-OG 3.25Å; V13-M265 HydrophobicContact CB-SD 4.18Å; V13-M265 HydrophobicContact CG1-SD 4.15Å; V13-M265 HydrophobicContact CG2-CE 3.33Å; V13-M265 HydrophobicContact CG2-SD 3.39Å; V13-M265 WeakPolarHBondContact CG2-SD 3.48Å |
| 14 | I | 59.4 | Low | 58.4 | Low | 26 Ų | 26 | 79.1 Ų | 79.1 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | -177.8 | -72.2 | 156.7 | 0 | 0 | 0 | 111 | L10 F18 P92 | L10-I14 HydrophobicContact CB-CD1 4.41Å; L10-I14 WeakPolarHBondContact O-CB 3.48Å; L10-I14 WeakPolarHBondContact O-CD1 3.31Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.38Å; L10-I14 PolarHBondContact O-N 3.38Å; I14-F18 WeakPolarHBondContact O-CA 3.48Å; I14-F18 WeakPolarHBondContact O-CB 3.42Å; I14-F18 PolarHBondContact O-N 2.94Å; I14-P92 HydrophobicContact CB-CG 4.28Å; I14-P92 HydrophobicContact CD1-CG 3.6Å; I14-P92 HydrophobicContact CG1-CG 3.92Å; I14-P92 HydrophobicContact CG2-CG 3.38Å |
| 15 | S | 60.7 | Low | 60.4 | Low | 82 Ų | 82 | 72.3 Ų | 72.3 | 57% | 0.573 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -71.5 | -44.4 | 179.5 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | E11 E12 S17 F18 | E11-S15 VanDerWaalsContact O-CB 3.26Å; E11-S15 WeakPolarHBondContact O-CB 3.25Å; E11-S15 PolarHBondContact O-N 3.03Å; E11-S15 PolarHBondContact O-OG 2.96Å; E12-S15 WeakPolarHBondContact CA-OG 3.49Å; E12-S15 PolarHBondContact O-OG 3.44Å; E12-S15 VanDerWaalsContact O-OG 3.11Å; S15-S17 VanDerWaalsContact C-N 3.32Å; S15-S17 PolarHBondContact O-N 3.46Å; S15-F18 PolarHBondContact O-N 2.92Å |
| 16 | Y | 61.2 | Low | 62.4 | Low | 167 Ų | 167 | 73.9 Ų | 73.9 | 66% | 0.655 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.9 | -34.9 | 178.1 | -168.9 | -98.7 | 0 | 0 | 0 | 112.1 | E12 M265 | E12-Y16 WeakPolarHBondContact O-CB 3.37Å; E12-Y16 PolarHBondContact O-N 3.28Å; Y16-M265 HydrophobicContact CD1-CB 4.09Å; Y16-M265 HydrophobicContact CE1-CB 4.43Å |
| 17 | S | 61.7 | Low | 64.5 | Low | 14 Ų | 14 | 72.5 Ų | 72.5 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 11.1 | -176.8 | -47.6 | 0 | 0 | 0 | 0 | 112.7 | V13 S15 T19 E20 L21 | V13-S17 WeakPolarHBondContact O-CA 2.96Å; V13-S17 WeakPolarHBondContact O-CB 3.41Å; V13-S17 PolarHBondContact O-N 2.95Å; V13-S17 PolarHBondContact O-OG 3.25Å; S15-S17 VanDerWaalsContact C-N 3.32Å; S15-S17 PolarHBondContact O-N 3.46Å; S17-T19 VanDerWaalsContact C-N 3.32Å; S17-T19 PolarHBondContact O-N 3.15Å; S17-E20 PolarHBondContact O-N 3.3Å; S17-L21 WeakPolarHBondContact O-CB 3.38Å; S17-L21 PolarHBondContact O-N 3.49Å |
| 18 | F | 66.5 | Low | 66.3 | Low | 90 Ų | 90 | 69.7 Ų | 69.7 | 40% | 0.395 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.7 | -44.8 | -173.7 | -172.3 | -93.8 | 0 | 0 | 0 | 112 | I14 S15 T22 L86 | I14-F18 WeakPolarHBondContact O-CA 3.48Å; I14-F18 WeakPolarHBondContact O-CB 3.42Å; I14-F18 PolarHBondContact O-N 2.94Å; S15-F18 PolarHBondContact O-N 2.92Å; F18-T22 WeakPolarHBondContact O-CB 3.23Å; F18-T22 PolarHBondContact O-N 2.94Å; F18-T22 PolarHBondContact O-OG1 3.34Å; F18-L86 HydrophobicContact CD2-CD2 3.87Å; F18-L86 HydrophobicContact CE2-CB 4.01Å; F18-L86 HydrophobicContact CE2-CD2 3.56Å; F18-L86 HydrophobicContact CE2-CG 4.3Å; F18-L86 HydrophobicContact CZ-CB 4.26Å |
| 19 | T | 69.2 | Low | 68.4 | Low | 110 Ų | 110 | 67.5 Ų | 67.5 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.8 | -46.4 | 178.6 | -51.2 | 0 | 0 | 0 | 0 | 111.7 | S17 T22 F23 | S17-T19 VanDerWaalsContact C-N 3.32Å; S17-T19 PolarHBondContact O-N 3.15Å; T19-T22 PolarHBondContact O-N 2.7Å; T19-F23 WeakPolarHBondContact O-CB 3.49Å; T19-F23 PolarHBondContact O-N 3.12Å |
| 20 | E | 69.6 | Low | 70.1 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | -179.6 | -67.9 | -62.7 | 151 | 0 | 0 | 112.2 | S17 T22 F23 N24 S269 | S17-E20 PolarHBondContact O-N 3.3Å; E20-T22 VanDerWaalsContact C-N 3.34Å; E20-F23 PolarHBondContact O-N 3.38Å; E20-N24 VanDerWaalsContact O-CB 3.23Å; E20-N24 WeakPolarHBondContact O-CB 3.42Å; E20-N24 PolarHBondContact O-N 3.47Å; E20-S269 WeakPolarHBondContact CB-OG 3.47Å; E20-S269 WeakPolarHBondContact CG-OG 3.22Å |
| 21 | L | 68.8 | Low | 72 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 176.1 | -171.8 | 65.9 | 0 | 0 | 0 | 110.6 | S17 N24 T25 L82 L86 | S17-L21 WeakPolarHBondContact O-CB 3.38Å; S17-L21 PolarHBondContact O-N 3.49Å; L21-N24 PolarHBondContact O-N 3.43Å; L21-T25 WeakPolarHBondContact O-CB 3.49Å; L21-T25 PolarHBondContact O-N 2.93Å; L21-T25 PolarHBondContact O-OG1 3.4Å; L21-L82 HydrophobicContact CD1-CD2 4.23Å; L21-L82 HydrophobicContact CG-CD2 4.37Å; L21-L86 HydrophobicContact CD2-CD2 4.26Å |
| 22 | T | 74.6 | Confident | 73.7 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 17% | 0.166 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 173.7 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | F18 T19 E20 N24 T25 Y26 | F18-T22 WeakPolarHBondContact O-CB 3.23Å; F18-T22 PolarHBondContact O-N 2.94Å; F18-T22 PolarHBondContact O-OG1 3.34Å; T19-T22 PolarHBondContact O-N 2.7Å; E20-T22 VanDerWaalsContact C-N 3.34Å; T22-N24 PolarHBondContact O-N 3.15Å; T22-T25 WeakPolarHBondContact O-CB 3.19Å; T22-T25 PolarHBondContact O-N 3.47Å; T22-Y26 HydrophobicContact CG2-CD2 3.72Å; T22-Y26 HydrophobicContact CG2-CE2 3.45Å; T22-Y26 VanDerWaalsContact CG2-CE2 3.45Å; T22-Y26 WeakPolarHBondContact O-CD2 3.28Å; T22-Y26 PolarHBondContact O-N 2.67Å |
| 23 | F | 79.5 | Confident | 75.5 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 48% | 0.482 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 175.6 | 177.9 | -100.8 | 0 | 0 | 0 | 111.8 | T19 E20 T25 Y26 L27 L273 | T19-F23 WeakPolarHBondContact O-CB 3.49Å; T19-F23 PolarHBondContact O-N 3.12Å; E20-F23 PolarHBondContact O-N 3.38Å; F23-T25 VanDerWaalsContact C-N 3.29Å; F23-T25 PolarHBondContact O-N 2.85Å; F23-Y26 PolarHBondContact O-N 2.96Å; F23-L27 HydrophobicContact CE1-CD2 4.31Å; F23-L27 WeakPolarHBondContact O-CB 3.28Å; F23-L27 PolarHBondContact O-N 3.05Å; F23-L273 HydrophobicContact CD1-CD1 4.08Å; F23-L273 HydrophobicContact CE1-CD1 3.96Å |
| 24 | N | 76.4 | Confident | 77.4 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 175.7 | -170.1 | -21.1 | 0 | 0 | 0 | 111.3 | E20 L21 T22 L27 G28 L272 C276 | E20-N24 VanDerWaalsContact O-CB 3.23Å; E20-N24 WeakPolarHBondContact O-CB 3.42Å; E20-N24 PolarHBondContact O-N 3.47Å; L21-N24 PolarHBondContact O-N 3.43Å; T22-N24 PolarHBondContact O-N 3.15Å; N24-L27 PolarHBondContact O-N 2.95Å; N24-G28 PolarHBondContact O-N 3.26Å; N24-L272 PolarHBondContact ND2-O 2.86Å; N24-C276 PolarHBondContact OD1-SG 2.95Å |
| 25 | T | 79.9 | Confident | 79.1 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.4 | -57.4 | 0 | 0 | 0 | 0 | 112 | L21 T22 F23 G28 T29 S79 L82 L83 | L21-T25 WeakPolarHBondContact O-CB 3.49Å; L21-T25 PolarHBondContact O-N 2.93Å; L21-T25 PolarHBondContact O-OG1 3.4Å; T22-T25 WeakPolarHBondContact O-CB 3.19Å; T22-T25 PolarHBondContact O-N 3.47Å; F23-T25 VanDerWaalsContact C-N 3.29Å; F23-T25 PolarHBondContact O-N 2.85Å; T25-G28 PolarHBondContact O-N 3.47Å; T25-T29 PolarHBondContact O-N 3.5Å; T25-T29 PolarHBondContact O-OG1 3.5Å; T25-S79 WeakPolarHBondContact CG2-O 3.3Å; T25-S79 PolarHBondContact O-OG 2.98Å; T25-L82 HydrophobicContact CG2-CB 4.38Å; T25-L82 HydrophobicContact CG2-CD2 4.4Å; T25-L82 HydrophobicContact CG2-CG 4.46Å; T25-L82 VanDerWaalsContact OG1-CD2 3.23Å; T25-L82 WeakPolarHBondContact OG1-CD2 3.4Å; T25-L83 HydrophobicContact CG2-CB 3.97Å |
| 26 | Y | 84 | Confident | 80.7 | Confident | 124 Ų | 124 | 56.2 Ų | 56.2 | 49% | 0.486 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 174.6 | -81.2 | -65.6 | 0 | 0 | 0 | 111.9 | T22 F23 G28 T29 I30 L83 | T22-Y26 HydrophobicContact CG2-CD2 3.72Å; T22-Y26 HydrophobicContact CG2-CE2 3.45Å; T22-Y26 VanDerWaalsContact CG2-CE2 3.45Å; T22-Y26 WeakPolarHBondContact O-CD2 3.28Å; T22-Y26 PolarHBondContact O-N 2.67Å; F23-Y26 PolarHBondContact O-N 2.96Å; Y26-G28 VanDerWaalsContact C-N 3.35Å; Y26-G28 PolarHBondContact O-N 2.87Å; Y26-T29 WeakPolarHBondContact O-CB 3.45Å; Y26-T29 PolarHBondContact O-N 3.2Å; Y26-I30 WeakPolarHBondContact O-CG1 3.29Å; Y26-I30 PolarHBondContact O-N 2.96Å; Y26-L83 HydrophobicContact CE1-CD2 4.3Å; Y26-L83 HydrophobicContact CE2-CD1 4.5Å |
| 27 | L | 84.7 | Confident | 82.4 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 178 | -176.4 | 63.5 | 0 | 0 | 0 | 111.1 | F23 N24 T29 I30 L31 | F23-L27 HydrophobicContact CE1-CD2 4.31Å; F23-L27 WeakPolarHBondContact O-CB 3.28Å; F23-L27 PolarHBondContact O-N 3.05Å; N24-L27 PolarHBondContact O-N 2.95Å; L27-T29 VanDerWaalsContact C-N 3.33Å; L27-T29 PolarHBondContact O-N 3.48Å; L27-I30 PolarHBondContact O-N 2.92Å; L27-L31 HydrophobicContact CD1-CD1 3.91Å; L27-L31 HydrophobicContact CD1-CG 4.06Å; L27-L31 HydrophobicContact CD2-CD1 4.43Å; L27-L31 HydrophobicContact CG-CD1 3.79Å; L27-L31 HydrophobicContact CG-CG 4.3Å; L27-L31 VanDerWaalsContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CB 3.32Å; L27-L31 VanDerWaalsContact O-CG 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 2.84Å |
| 28 | G | 82.4 | Confident | 84 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N24 T25 Y26 G32 | N24-G28 PolarHBondContact O-N 3.26Å; T25-G28 PolarHBondContact O-N 3.47Å; Y26-G28 VanDerWaalsContact C-N 3.35Å; Y26-G28 PolarHBondContact O-N 2.87Å; G28-G32 WeakPolarHBondContact O-CA 3.35Å; G28-G32 PolarHBondContact O-N 3.12Å |
| 29 | T | 86.4 | Confident | 85.4 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 176 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | T25 Y26 L27 S33 S79 | T25-T29 PolarHBondContact O-N 3.5Å; T25-T29 PolarHBondContact O-OG1 3.5Å; Y26-T29 WeakPolarHBondContact O-CB 3.45Å; Y26-T29 PolarHBondContact O-N 3.2Å; L27-T29 VanDerWaalsContact C-N 3.33Å; L27-T29 PolarHBondContact O-N 3.48Å; T29-S33 VanDerWaalsContact O-CB 3.28Å; T29-S33 WeakPolarHBondContact O-CB 3.37Å; T29-S33 PolarHBondContact O-N 3.22Å; T29-S33 PolarHBondContact O-OG 3.31Å; T29-S79 WeakPolarHBondContact OG1-CB 3.41Å |
| 30 | I | 90.7 | Very high | 86.7 | Confident | 106 Ų | 106 | 44.8 Ų | 44.8 | 54% | 0.544 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -51.6 | -179.6 | -66.9 | 167.5 | 0 | 0 | 0 | 109.8 | Y26 L27 G32 S33 V34 | Y26-I30 WeakPolarHBondContact O-CG1 3.29Å; Y26-I30 PolarHBondContact O-N 2.96Å; L27-I30 PolarHBondContact O-N 2.92Å; I30-G32 PolarHBondContact O-N 2.77Å; I30-S33 PolarHBondContact O-N 2.92Å; I30-V34 HydrophobicContact CG2-CG2 4.49Å; I30-V34 VanDerWaalsContact O-CG2 3.32Å; I30-V34 WeakPolarHBondContact O-CG2 3.49Å; I30-V34 PolarHBondContact O-N 2.98Å |
| 31 | L | 90.5 | Very high | 88 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 179.9 | -70.8 | 176.5 | 0 | 0 | 0 | 111.5 | L27 S33 V34 V35 F280 L283 | L27-L31 HydrophobicContact CD1-CD1 3.91Å; L27-L31 HydrophobicContact CD1-CG 4.06Å; L27-L31 HydrophobicContact CD2-CD1 4.43Å; L27-L31 HydrophobicContact CG-CD1 3.79Å; L27-L31 HydrophobicContact CG-CG 4.3Å; L27-L31 VanDerWaalsContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CB 3.32Å; L27-L31 VanDerWaalsContact O-CG 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 2.84Å; L31-S33 VanDerWaalsContact C-N 3.3Å; L31-S33 PolarHBondContact O-N 2.77Å; L31-V34 PolarHBondContact O-N 2.89Å; L31-V35 WeakPolarHBondContact O-CB 3.48Å; L31-V35 VanDerWaalsContact O-CG2 3.23Å; L31-V35 WeakPolarHBondContact O-CG2 3.37Å; L31-V35 PolarHBondContact O-N 3.14Å; L31-F280 HydrophobicContact CD1-CD2 4.49Å; L31-F280 HydrophobicContact CD1-CE2 3.82Å; L31-F280 HydrophobicContact CD1-CZ 3.92Å; L31-F280 HydrophobicContact CD2-CE1 4.27Å; L31-F280 HydrophobicContact CD2-CZ 4.2Å; L31-L283 HydrophobicContact CD2-CD1 4.12Å |
| 32 | G | 90.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G28 I30 C36 G72 | G28-G32 WeakPolarHBondContact O-CA 3.35Å; G28-G32 PolarHBondContact O-N 3.12Å; I30-G32 PolarHBondContact O-N 2.77Å; G32-C36 WeakPolarHBondContact O-CB 3.04Å; G32-C36 PolarHBondContact O-N 3Å; G32-G72 WeakPolarHBondContact O-CA 3.3Å |
| 33 | S | 93.6 | Very high | 90.2 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 42% | 0.42 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 176.4 | -60 | 0 | 0 | 0 | 0 | 112.2 | T29 I30 L31 C36 G37 V76 | T29-S33 VanDerWaalsContact O-CB 3.28Å; T29-S33 WeakPolarHBondContact O-CB 3.37Å; T29-S33 PolarHBondContact O-N 3.22Å; T29-S33 PolarHBondContact O-OG 3.31Å; I30-S33 PolarHBondContact O-N 2.92Å; L31-S33 VanDerWaalsContact C-N 3.3Å; L31-S33 PolarHBondContact O-N 2.77Å; S33-C36 PolarHBondContact O-N 2.92Å; S33-G37 PolarHBondContact O-N 3.31Å; S33-V76 WeakPolarHBondContact OG-CG2 3.14Å |
| 34 | V | 95.4 | Very high | 90.9 | Very high | 67 Ų | 67 | 40.2 Ų | 40.2 | 41% | 0.406 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.2 | -48.8 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | I30 L31 C36 G37 I38 L283 | I30-V34 HydrophobicContact CG2-CG2 4.49Å; I30-V34 VanDerWaalsContact O-CG2 3.32Å; I30-V34 WeakPolarHBondContact O-CG2 3.49Å; I30-V34 PolarHBondContact O-N 2.98Å; L31-V34 PolarHBondContact O-N 2.89Å; V34-C36 VanDerWaalsContact C-N 3.33Å; V34-C36 PolarHBondContact O-N 2.88Å; V34-G37 PolarHBondContact O-N 2.92Å; V34-I38 HydrophobicContact CG1-CG2 4.35Å; V34-I38 WeakPolarHBondContact O-CG1 3.34Å; V34-I38 WeakPolarHBondContact O-CG2 3.35Å; V34-I38 PolarHBondContact O-N 3.2Å; V34-L283 HydrophobicContact CG1-CD2 3.75Å |
| 35 | V | 94.2 | Very high | 91.7 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.7 | -48.1 | 177 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | L31 N39 S279 L283 | L31-V35 WeakPolarHBondContact O-CB 3.48Å; L31-V35 VanDerWaalsContact O-CG2 3.23Å; L31-V35 WeakPolarHBondContact O-CG2 3.37Å; L31-V35 PolarHBondContact O-N 3.14Å; V35-N39 WeakPolarHBondContact O-CB 3.34Å; V35-N39 PolarHBondContact O-N 3.27Å; V35-N39 VanDerWaalsContact O-N 3.1Å; V35-N39 PolarHBondContact O-ND2 3.11Å; V35-S279 WeakPolarHBondContact CG2-O 3.27Å; V35-L283 HydrophobicContact CG2-CD2 3.67Å; V35-L283 HydrophobicContact CG2-CG 3.63Å |
| 36 | C | 95.1 | Very high | 92.3 | Very high | 27 Ų | 27 | 39.1 Ų | 39.1 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.6 | -54.8 | 175.9 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | G32 S33 V34 I38 N39 V40 | G32-C36 WeakPolarHBondContact O-CB 3.04Å; G32-C36 PolarHBondContact O-N 3Å; S33-C36 PolarHBondContact O-N 2.92Å; V34-C36 VanDerWaalsContact C-N 3.33Å; V34-C36 PolarHBondContact O-N 2.88Å; C36-I38 PolarHBondContact O-N 3.48Å; C36-N39 PolarHBondContact O-N 3.09Å; C36-V40 WeakPolarHBondContact O-CB 3.46Å; C36-V40 VanDerWaalsContact O-CG2 3.28Å; C36-V40 WeakPolarHBondContact O-CG2 3.39Å; C36-V40 PolarHBondContact O-N 3.1Å |
| 37 | G | 96 | Very high | 92.6 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.8 | -49.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S33 V34 N39 L41 | S33-G37 PolarHBondContact O-N 3.31Å; V34-G37 PolarHBondContact O-N 2.92Å; G37-N39 PolarHBondContact O-N 3.47Å; G37-L41 VanDerWaalsContact O-CB 3.32Å; G37-L41 WeakPolarHBondContact O-CB 3.36Å; G37-L41 PolarHBondContact O-N 3.32Å |
| 38 | I | 95.9 | Very high | 92.8 | Very high | 40 Ų | 40 | 36.9 Ų | 36.9 | 21% | 0.205 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.5 | -36.6 | -178.8 | 70.5 | -178.8 | 0 | 0 | 0 | 111.8 | V34 C36 L41 G42 L283 F286 | V34-I38 HydrophobicContact CG1-CG2 4.35Å; V34-I38 WeakPolarHBondContact O-CG1 3.34Å; V34-I38 WeakPolarHBondContact O-CG2 3.35Å; V34-I38 PolarHBondContact O-N 3.2Å; C36-I38 PolarHBondContact O-N 3.48Å; I38-L41 WeakPolarHBondContact O-CB 3.11Å; I38-L41 PolarHBondContact O-N 3.1Å; I38-G42 PolarHBondContact O-N 3.1Å; I38-L283 HydrophobicContact CD1-CD2 3.47Å; I38-L283 VanDerWaalsContact CD1-CD2 3.47Å; I38-F286 HydrophobicContact CB-CD1 4.28Å; I38-F286 HydrophobicContact CB-CD2 4.07Å; I38-F286 HydrophobicContact CB-CE1 4.31Å; I38-F286 HydrophobicContact CB-CE2 4.11Å; I38-F286 HydrophobicContact CB-CG 4.16Å; I38-F286 HydrophobicContact CB-CZ 4.22Å; I38-F286 HydrophobicContact CD1-CB 3.67Å; I38-F286 HydrophobicContact CD1-CD1 3.9Å; I38-F286 HydrophobicContact CD1-CD2 4.37Å; I38-F286 HydrophobicContact CD1-CG 3.72Å; I38-F286 HydrophobicContact CG1-CB 4.14Å; I38-F286 HydrophobicContact CG1-CD1 4.33Å; I38-F286 HydrophobicContact CG1-CD2 4.05Å; I38-F286 HydrophobicContact CG1-CG 3.91Å; I38-F286 WeakPolarHBondContact O-CD2 3.14Å; I38-F286 WeakPolarHBondContact O-CE2 3.48Å |
| 39 | N | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76.4 | -39 | -178.6 | -79.9 | -76.6 | 0 | 0 | 0 | 111.5 | V35 C36 G37 L41 G42 F43 T65 A69 G282 | V35-N39 WeakPolarHBondContact O-CB 3.34Å; V35-N39 PolarHBondContact O-N 3.27Å; V35-N39 VanDerWaalsContact O-N 3.1Å; V35-N39 PolarHBondContact O-ND2 3.11Å; C36-N39 PolarHBondContact O-N 3.09Å; G37-N39 PolarHBondContact O-N 3.47Å; N39-L41 VanDerWaalsContact C-N 3.28Å; N39-L41 PolarHBondContact O-N 3.34Å; N39-G42 PolarHBondContact O-N 2.98Å; N39-F43 WeakPolarHBondContact O-CB 3.29Å; N39-F43 PolarHBondContact O-N 3.41Å; N39-T65 VanDerWaalsContact CA-CG2 3.49Å; N39-T65 HydrophobicContact CB-CG2 3.68Å; N39-T65 WeakPolarHBondContact CB-O 3.22Å; N39-T65 WeakPolarHBondContact O-CG2 3.28Å; N39-T65 VanDerWaalsContact OD1-CG2 3.23Å; N39-T65 WeakPolarHBondContact OD1-CG2 3.27Å; N39-A69 HydrophobicContact CB-CB 4.03Å; N39-G282 PolarHBondContact ND2-O 3.41Å |
| 40 | V | 96.5 | Very high | 93 | Very high | 59 Ų | 59 | 43.4 Ų | 43.4 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 169.7 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | C36 G42 F43 V44 A69 | C36-V40 WeakPolarHBondContact O-CB 3.46Å; C36-V40 VanDerWaalsContact O-CG2 3.28Å; C36-V40 WeakPolarHBondContact O-CG2 3.39Å; C36-V40 PolarHBondContact O-N 3.1Å; V40-G42 PolarHBondContact O-N 3.47Å; V40-F43 PolarHBondContact O-N 3.07Å; V40-V44 HydrophobicContact CG1-CG2 4.22Å; V40-V44 WeakPolarHBondContact O-CB 3.22Å; V40-V44 VanDerWaalsContact O-CG2 3.28Å; V40-V44 WeakPolarHBondContact O-CG2 3.45Å; V40-V44 PolarHBondContact O-N 3.21Å; V40-A69 HydrophobicContact CG2-CB 3.71Å |
| 41 | L | 95.3 | Very high | 92.5 | Very high | 53 Ų | 53 | 43.8 Ų | 43.8 | 28% | 0.277 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 175.9 | -177.8 | 73.5 | 0 | 0 | 0 | 111.8 | G37 I38 N39 A45 V300 L303 I304 | G37-L41 VanDerWaalsContact O-CB 3.32Å; G37-L41 WeakPolarHBondContact O-CB 3.36Å; G37-L41 PolarHBondContact O-N 3.32Å; I38-L41 WeakPolarHBondContact O-CB 3.11Å; I38-L41 PolarHBondContact O-N 3.1Å; N39-L41 VanDerWaalsContact C-N 3.28Å; N39-L41 PolarHBondContact O-N 3.34Å; L41-A45 WeakPolarHBondContact O-CB 3.3Å; L41-A45 PolarHBondContact O-N 2.95Å; L41-V300 HydrophobicContact CD2-CG1 4.05Å; L41-V300 HydrophobicContact CG-CG1 4.48Å; L41-L303 HydrophobicContact CD1-CD2 3.52Å; L41-L303 HydrophobicContact CD1-CG 4.03Å; L41-L303 HydrophobicContact CG-CD2 4.32Å; L41-I304 HydrophobicContact CD1-CG1 4.33Å; L41-I304 HydrophobicContact CD2-CD1 3.84Å; L41-I304 HydrophobicContact CD2-CG1 3.89Å |
| 42 | G | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I38 N39 V40 A45 M46 | I38-G42 PolarHBondContact O-N 3.1Å; N39-G42 PolarHBondContact O-N 2.98Å; V40-G42 PolarHBondContact O-N 3.47Å; G42-A45 PolarHBondContact O-N 3.48Å; G42-M46 WeakPolarHBondContact O-CG 3.28Å; G42-M46 PolarHBondContact O-N 3.49Å |
| 43 | F | 96 | Very high | 91.5 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 21% | 0.211 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.9 | -52 | 177.3 | 172.2 | -104.9 | 0 | 0 | 0 | 111.8 | N39 V40 A45 M46 M47 A62 L66 | N39-F43 WeakPolarHBondContact O-CB 3.29Å; N39-F43 PolarHBondContact O-N 3.41Å; V40-F43 PolarHBondContact O-N 3.07Å; F43-A45 VanDerWaalsContact C-N 3.31Å; F43-A45 PolarHBondContact O-N 3.22Å; F43-M46 PolarHBondContact O-N 3.03Å; F43-M47 HydrophobicContact CD2-CG 3.91Å; F43-M47 HydrophobicContact CE1-CG 4.37Å; F43-M47 HydrophobicContact CE2-CG 3.57Å; F43-M47 HydrophobicContact CE2-SD 4.44Å; F43-M47 HydrophobicContact CG-CG 4.48Å; F43-M47 HydrophobicContact CZ-CG 3.83Å; F43-M47 WeakPolarHBondContact O-CB 3.39Å; F43-M47 WeakPolarHBondContact O-CG 3.46Å; F43-M47 PolarHBondContact O-N 3.32Å; F43-A62 HydrophobicContact CD2-CB 3.98Å; F43-A62 VanDerWaalsContact CD2-O 3.29Å; F43-A62 WeakPolarHBondContact CD2-O 3.47Å; F43-A62 HydrophobicContact CE2-CB 4.44Å; F43-L66 HydrophobicContact CD1-CD1 4.36Å; F43-L66 HydrophobicContact CD2-CB 3.83Å; F43-L66 HydrophobicContact CE1-CD1 4.43Å; F43-L66 HydrophobicContact CE2-CB 4.1Å; F43-L66 HydrophobicContact CE2-CD2 4.02Å; F43-L66 HydrophobicContact CG-CB 4.24Å; F43-L66 HydrophobicContact CG-CD1 4.46Å; F43-L66 HydrophobicContact CZ-CD2 4.09Å |
| 44 | V | 95.2 | Very high | 90.7 | Very high | 67 Ų | 67 | 52.1 Ų | 52.1 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 179.5 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | V40 M46 G48 L303 | V40-V44 HydrophobicContact CG1-CG2 4.22Å; V40-V44 WeakPolarHBondContact O-CB 3.22Å; V40-V44 VanDerWaalsContact O-CG2 3.28Å; V40-V44 WeakPolarHBondContact O-CG2 3.45Å; V40-V44 PolarHBondContact O-N 3.21Å; V44-M46 PolarHBondContact O-N 2.9Å; V44-G48 WeakPolarHBondContact O-CA 3.38Å; V44-G48 PolarHBondContact O-N 2.77Å; V44-L303 HydrophobicContact CB-CD2 4.11Å; V44-L303 HydrophobicContact CG1-CD1 4.49Å; V44-L303 HydrophobicContact CG1-CD2 3.84Å |
| 45 | A | 92.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 52 Ų | 52 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L41 G42 F43 N49 V299 V300 L303 | L41-A45 WeakPolarHBondContact O-CB 3.3Å; L41-A45 PolarHBondContact O-N 2.95Å; G42-A45 PolarHBondContact O-N 3.48Å; F43-A45 VanDerWaalsContact C-N 3.31Å; F43-A45 PolarHBondContact O-N 3.22Å; A45-N49 PolarHBondContact O-N 3.31Å; A45-V299 HydrophobicContact CB-CB 4.15Å; A45-V299 HydrophobicContact CB-CG2 3.86Å; A45-V300 HydrophobicContact CB-CG2 3.96Å; A45-L303 HydrophobicContact CB-CB 4.18Å; A45-L303 HydrophobicContact CB-CD2 3.76Å |
| 46 | M | 91.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.7 | -47.5 | 177.9 | -71 | -168 | 78.4 | 0 | 0 | 112.2 | G42 F43 V44 G48 N49 C58 I61 A62 F296 V299 | G42-M46 WeakPolarHBondContact O-CG 3.28Å; G42-M46 PolarHBondContact O-N 3.49Å; F43-M46 PolarHBondContact O-N 3.03Å; V44-M46 PolarHBondContact O-N 2.9Å; M46-G48 VanDerWaalsContact C-N 3.35Å; M46-N49 PolarHBondContact O-N 3.15Å; M46-C58 HydrophobicContact CE-CB 3.76Å; M46-C58 WeakPolarHBondContact CE-O 3.26Å; M46-I61 HydrophobicContact CE-CB 4.07Å; M46-I61 HydrophobicContact CE-CG2 3.99Å; M46-I61 HydrophobicContact SD-CB 4.34Å; M46-I61 HydrophobicContact SD-CG2 3.77Å; M46-A62 HydrophobicContact CB-CB 3.94Å; M46-A62 HydrophobicContact SD-CB 3.97Å; M46-F296 HydrophobicContact CG-CD2 3.83Å; M46-F296 HydrophobicContact CG-CE2 4.09Å; M46-F296 HydrophobicContact SD-CD2 3.53Å; M46-F296 VanDerWaalsContact SD-CD2 3.53Å; M46-F296 HydrophobicContact SD-CE2 3.79Å; M46-V299 HydrophobicContact CG-CG2 4.3Å |
| 47 | M | 91.9 | Very high | 88.8 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 31% | 0.305 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.9 | -29.3 | -176.9 | -69 | -57.2 | -68.5 | 0 | 0 | 113 | F43 N49 R53 A62 | F43-M47 HydrophobicContact CD2-CG 3.91Å; F43-M47 HydrophobicContact CE1-CG 4.37Å; F43-M47 HydrophobicContact CE2-CG 3.57Å; F43-M47 HydrophobicContact CE2-SD 4.44Å; F43-M47 HydrophobicContact CG-CG 4.48Å; F43-M47 HydrophobicContact CZ-CG 3.83Å; F43-M47 WeakPolarHBondContact O-CB 3.39Å; F43-M47 WeakPolarHBondContact O-CG 3.46Å; F43-M47 PolarHBondContact O-N 3.32Å; M47-N49 VanDerWaalsContact C-N 3.29Å; M47-N49 PolarHBondContact O-N 2.99Å; M47-R53 HydrophobicContact CE-CG 4.34Å; M47-A62 HydrophobicContact CG-CB 4.23Å; M47-A62 HydrophobicContact SD-CB 4.15Å |
| 48 | G | 88.5 | Confident | 88.4 | Confident | 65 Ų | 65 | 50 Ų | 50 | 67% | 0.67 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.3 | -20.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V44 M46 K50 | V44-G48 WeakPolarHBondContact O-CA 3.38Å; V44-G48 PolarHBondContact O-N 2.77Å; M46-G48 VanDerWaalsContact C-N 3.35Å; G48-K50 PolarHBondContact O-N 3.03Å |
| 49 | N | 87.6 | Confident | 88.1 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 14% | 0.139 | 26% | 0.258 | C | S | . | . | trans | -87.4 | 112.1 | 178 | -168.8 | -38.4 | 0 | 0 | 0 | 111.7 | A45 M46 M47 D51 L52 R53 V299 | A45-N49 PolarHBondContact O-N 3.31Å; M46-N49 PolarHBondContact O-N 3.15Å; M47-N49 VanDerWaalsContact C-N 3.29Å; M47-N49 PolarHBondContact O-N 2.99Å; N49-D51 VanDerWaalsContact C-N 3.28Å; N49-D51 PolarHBondContact O-N 3.28Å; N49-D51 WeakPolarHBondContact OD1-CB 3.26Å; N49-D51 PolarHBondContact OD1-N 2.9Å; N49-L52 HydrophobicContact CB-CB 4.31Å; N49-L52 HydrophobicContact CB-CD1 4.15Å; N49-L52 HydrophobicContact CB-CG 4.12Å; N49-L52 PolarHBondContact O-N 2.99Å; N49-R53 PolarHBondContact O-N 3.33Å; N49-R53 VanDerWaalsContact O-N 3.12Å; N49-V299 HydrophobicContact CB-CG1 3.95Å; N49-V299 WeakPolarHBondContact ND2-CG1 3.38Å | ||
| 50 | K | 84.6 | Confident | 87.9 | Confident | 154 Ų | 154 | 49.7 Ų | 49.7 | 67% | 0.67 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -37.8 | -179.3 | -65.4 | -177.2 | -178.3 | 179 | 0 | 113.1 | G48 H54 | G48-K50 PolarHBondContact O-N 3.03Å; K50-H54 PolarHBondContact O-CD2 2.71Å |
| 51 | D | 79.8 | Confident | 87.7 | Confident | 115 Ų | 115 | 47 Ų | 47 | 62% | 0.615 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -31.6 | -176.2 | -63 | -37.1 | 0 | 0 | 0 | 112.6 | N49 | N49-D51 VanDerWaalsContact C-N 3.28Å; N49-D51 PolarHBondContact O-N 3.28Å; N49-D51 WeakPolarHBondContact OD1-CB 3.26Å; N49-D51 PolarHBondContact OD1-N 2.9Å |
| 52 | L | 81.2 | Confident | 87.6 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -37.1 | 179.3 | -61 | -174.3 | 0 | 0 | 0 | 111.7 | N49 H54 R55 C58 E295 V299 | N49-L52 HydrophobicContact CB-CB 4.31Å; N49-L52 HydrophobicContact CB-CD1 4.15Å; N49-L52 HydrophobicContact CB-CG 4.12Å; N49-L52 PolarHBondContact O-N 2.99Å; L52-H54 PolarHBondContact O-N 3.38Å; L52-R55 PolarHBondContact O-N 2.87Å; L52-C58 HydrophobicContact CB-CB 4.19Å; L52-C58 VanDerWaalsContact O-CB 3.32Å; L52-C58 WeakPolarHBondContact O-CB 3.49Å; L52-E295 HydrophobicContact CD2-CB 4.1Å; L52-E295 HydrophobicContact CD2-CG 4.35Å; L52-V299 HydrophobicContact CD1-CB 4.49Å; L52-V299 HydrophobicContact CD1-CG1 3.62Å; L52-V299 HydrophobicContact CD1-CG2 4.15Å |
| 53 | R | 80.3 | Confident | 87.6 | Confident | 123 Ų | 123 | 45.7 Ų | 45.7 | 46% | 0.464 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16.1 | -178.6 | -167.2 | 176.6 | 66.5 | -179.6 | 3 | 114.1 | M47 N49 I59 | M47-R53 HydrophobicContact CE-CG 4.34Å; N49-R53 PolarHBondContact O-N 3.33Å; N49-R53 VanDerWaalsContact O-N 3.12Å; R53-I59 WeakPolarHBondContact O-CD1 3.29Å |
| 54 | H | 76.4 | Confident | 87.6 | Confident | 120 Ų | 120 | 43.6 Ų | 43.6 | 56% | 0.556 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -9.2 | 175.5 | -71.9 | -64.9 | 0 | 0 | 0 | 114.1 | K50 L52 | K50-H54 PolarHBondContact O-CD2 2.71Å; L52-H54 PolarHBondContact O-N 3.38Å |
| 55 | R | 79.2 | Confident | 87.6 | Confident | 65 Ų | 65 | 40.4 Ų | 40.4 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | trans | -103.1 | 118.3 | -176.8 | -58.6 | 179.5 | -176.7 | -175.3 | 1.3 | 110 | L52 S57 C58 I59 E295 | L52-R55 PolarHBondContact O-N 2.87Å; R55-S57 VanDerWaalsContact C-N 3.27Å; R55-S57 PolarHBondContact O-N 3.23Å; R55-C58 HydrophobicContact CB-CB 4.09Å; R55-C58 WeakPolarHBondContact O-CB 2.97Å; R55-C58 PolarHBondContact O-N 3.4Å; R55-I59 PolarHBondContact O-N 2.89Å; R55-I59 VanDerWaalsContact O-N 3.11Å; R55-E295 IonicContact NH1-OE1 2.67Å | ||
| 56 | N | 82.7 | Confident | 87.8 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -50.3 | -45 | 179.4 | -73.3 | 18 | 0 | 0 | 0 | 112.9 | C58 I59 Q60 Y134 S139 | N56-C58 VanDerWaalsContact C-N 3.3Å; N56-C58 PolarHBondContact O-N 3.4Å; N56-I59 PolarHBondContact O-N 3.43Å; N56-I59 VanDerWaalsContact O-N 3.14Å; N56-Q60 WeakPolarHBondContact O-CG 3.36Å; N56-Q60 PolarHBondContact O-N 2.8Å; N56-Y134 PolarHBondContact ND2-OH 3.03Å; N56-S139 WeakPolarHBondContact ND2-CB 3.44Å; N56-S139 PolarHBondContact ND2-O 3.34Å; N56-S139 WeakPolarHBondContact OD1-CB 3.11Å; N56-S139 PolarHBondContact OD1-O 2.9Å; N56-S139 PolarHBondContact OD1-OG 3.07Å |
| 57 | S | 83.7 | Confident | 88 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -38.7 | 176.8 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | R55 I59 Q60 I61 | R55-S57 VanDerWaalsContact C-N 3.27Å; R55-S57 PolarHBondContact O-N 3.23Å; S57-I59 VanDerWaalsContact C-N 3.35Å; S57-Q60 PolarHBondContact O-N 2.95Å; S57-I61 WeakPolarHBondContact O-CB 3.27Å; S57-I61 VanDerWaalsContact O-CD1 3.27Å; S57-I61 WeakPolarHBondContact O-CD1 3.46Å; S57-I61 WeakPolarHBondContact O-CG1 3.18Å; S57-I61 PolarHBondContact O-N 3Å |
| 58 | C | 87.1 | Confident | 88.2 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 9% | 0.088 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.5 | -36.3 | 179.5 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | M46 L52 R55 N56 A62 | M46-C58 HydrophobicContact CE-CB 3.76Å; M46-C58 WeakPolarHBondContact CE-O 3.26Å; L52-C58 HydrophobicContact CB-CB 4.19Å; L52-C58 VanDerWaalsContact O-CB 3.32Å; L52-C58 WeakPolarHBondContact O-CB 3.49Å; R55-C58 HydrophobicContact CB-CB 4.09Å; R55-C58 WeakPolarHBondContact O-CB 2.97Å; R55-C58 PolarHBondContact O-N 3.4Å; N56-C58 VanDerWaalsContact C-N 3.3Å; N56-C58 PolarHBondContact O-N 3.4Å; C58-A62 WeakPolarHBondContact O-CB 3.35Å; C58-A62 PolarHBondContact O-N 3.08Å |
| 59 | I | 90 | Very high | 88.5 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 16% | 0.159 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -47.4 | 173.4 | -56.9 | 168.1 | 0 | 0 | 0 | 109.8 | R53 R55 N56 S57 I61 A62 L63 I143 | R53-I59 WeakPolarHBondContact O-CD1 3.29Å; R55-I59 PolarHBondContact O-N 2.89Å; R55-I59 VanDerWaalsContact O-N 3.11Å; N56-I59 PolarHBondContact O-N 3.43Å; N56-I59 VanDerWaalsContact O-N 3.14Å; S57-I59 VanDerWaalsContact C-N 3.35Å; I59-I61 PolarHBondContact O-N 3.49Å; I59-A62 WeakPolarHBondContact O-CB 3.36Å; I59-A62 PolarHBondContact O-N 3.49Å; I59-A62 VanDerWaalsContact O-N 3.15Å; I59-L63 HydrophobicContact CG2-CD1 3.89Å; I59-L63 HydrophobicContact CG2-CG 4.27Å; I59-L63 VanDerWaalsContact O-CG 3.26Å; I59-L63 WeakPolarHBondContact O-CG 3.46Å; I59-L63 PolarHBondContact O-N 2.89Å; I59-I143 HydrophobicContact CB-CD1 3.49Å; I59-I143 VanDerWaalsContact CB-CD1 3.49Å; I59-I143 HydrophobicContact CD1-CD1 3.85Å; I59-I143 HydrophobicContact CG1-CD1 4.29Å; I59-I143 HydrophobicContact CG2-CD1 3.4Å |
| 60 | Q | 90.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 177.2 | -73.7 | 171.5 | -25.3 | 0 | 0 | 112 | N56 S57 A62 L63 I64 I116 T120 I143 E146 | N56-Q60 WeakPolarHBondContact O-CG 3.36Å; N56-Q60 PolarHBondContact O-N 2.8Å; S57-Q60 PolarHBondContact O-N 2.95Å; Q60-A62 VanDerWaalsContact C-N 3.34Å; Q60-A62 PolarHBondContact O-N 3.47Å; Q60-L63 PolarHBondContact O-N 2.91Å; Q60-I64 WeakPolarHBondContact O-CG1 3.4Å; Q60-I64 PolarHBondContact O-N 3.14Å; Q60-I116 HydrophobicContact CB-CG2 4.21Å; Q60-T120 WeakPolarHBondContact CB-OG1 3.41Å; Q60-T120 PolarHBondContact OE1-OG1 2.99Å; Q60-I143 HydrophobicContact CG-CD1 4.3Å; Q60-E146 PolarHBondContact NE2-OE2 3.27Å |
| 61 | I | 92.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 174.6 | -68.4 | 156.8 | 0 | 0 | 0 | 110.7 | M46 S57 I59 L63 I64 T65 L234 L238 L289 M293 | M46-I61 HydrophobicContact CE-CB 4.07Å; M46-I61 HydrophobicContact CE-CG2 3.99Å; M46-I61 HydrophobicContact SD-CB 4.34Å; M46-I61 HydrophobicContact SD-CG2 3.77Å; S57-I61 WeakPolarHBondContact O-CB 3.27Å; S57-I61 VanDerWaalsContact O-CD1 3.27Å; S57-I61 WeakPolarHBondContact O-CD1 3.46Å; S57-I61 WeakPolarHBondContact O-CG1 3.18Å; S57-I61 PolarHBondContact O-N 3Å; I59-I61 PolarHBondContact O-N 3.49Å; I61-L63 VanDerWaalsContact C-N 3.29Å; I61-L63 PolarHBondContact O-N 3.33Å; I61-I64 PolarHBondContact O-N 3.32Å; I61-T65 PolarHBondContact O-N 3.4Å; I61-T65 PolarHBondContact O-OG1 3.26Å; I61-L234 HydrophobicContact CD1-CD1 4.42Å; I61-L238 HydrophobicContact CD1-CD2 4.38Å; I61-L238 HydrophobicContact CG1-CD2 4.01Å; I61-L289 HydrophobicContact CG2-CD1 3.65Å; I61-L289 HydrophobicContact CG2-CD2 4.18Å; I61-M293 HydrophobicContact CD1-CE 3.56Å; I61-M293 HydrophobicContact CD1-SD 3.99Å |
| 62 | A | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F43 M46 M47 C58 I59 Q60 T65 L66 | F43-A62 HydrophobicContact CD2-CB 3.98Å; F43-A62 VanDerWaalsContact CD2-O 3.29Å; F43-A62 WeakPolarHBondContact CD2-O 3.47Å; F43-A62 HydrophobicContact CE2-CB 4.44Å; M46-A62 HydrophobicContact CB-CB 3.94Å; M46-A62 HydrophobicContact SD-CB 3.97Å; M47-A62 HydrophobicContact CG-CB 4.23Å; M47-A62 HydrophobicContact SD-CB 4.15Å; C58-A62 WeakPolarHBondContact O-CB 3.35Å; C58-A62 PolarHBondContact O-N 3.08Å; I59-A62 WeakPolarHBondContact O-CB 3.36Å; I59-A62 PolarHBondContact O-N 3.49Å; I59-A62 VanDerWaalsContact O-N 3.15Å; Q60-A62 VanDerWaalsContact C-N 3.34Å; Q60-A62 PolarHBondContact O-N 3.47Å; A62-T65 CarbonylContact O-C 3.58Å; A62-T65 WeakPolarHBondContact O-CB 3.38Å; A62-T65 PolarHBondContact O-N 3.01Å; A62-L66 PolarHBondContact O-N 2.96Å |
| 63 | L | 95 | Very high | 90.5 | Very high | 25 Ų | 25 | 29 Ų | 29 | 13% | 0.131 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.8 | -37.2 | 176.9 | -67.1 | 163.1 | 0 | 0 | 0 | 112.5 | I59 Q60 I61 T65 L66 A67 I116 L147 | I59-L63 HydrophobicContact CG2-CD1 3.89Å; I59-L63 HydrophobicContact CG2-CG 4.27Å; I59-L63 VanDerWaalsContact O-CG 3.26Å; I59-L63 WeakPolarHBondContact O-CG 3.46Å; I59-L63 PolarHBondContact O-N 2.89Å; Q60-L63 PolarHBondContact O-N 2.91Å; I61-L63 VanDerWaalsContact C-N 3.29Å; I61-L63 PolarHBondContact O-N 3.33Å; L63-T65 VanDerWaalsContact C-N 3.32Å; L63-L66 WeakPolarHBondContact O-CB 3.11Å; L63-L66 PolarHBondContact O-N 3.44Å; L63-A67 WeakPolarHBondContact O-CB 3.41Å; L63-A67 PolarHBondContact O-N 3.44Å; L63-I116 HydrophobicContact CB-CD1 3.73Å; L63-I116 HydrophobicContact CB-CG2 4.43Å; L63-L147 HydrophobicContact CD1-CD1 4.26Å; L63-L147 HydrophobicContact CD1-CD2 3.59Å; L63-L147 HydrophobicContact CD1-CG 4.27Å; L63-L147 HydrophobicContact CD2-CD2 4.37Å |
| 64 | I | 95.1 | Very high | 91 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 171.4 | -65 | 168 | 0 | 0 | 0 | 109.9 | Q60 I61 L66 A67 Y68 I116 H285 | Q60-I64 WeakPolarHBondContact O-CG1 3.4Å; Q60-I64 PolarHBondContact O-N 3.14Å; I61-I64 PolarHBondContact O-N 3.32Å; I64-L66 VanDerWaalsContact C-N 3.33Å; I64-L66 PolarHBondContact O-N 3.15Å; I64-A67 WeakPolarHBondContact O-CB 3.49Å; I64-A67 PolarHBondContact O-N 2.91Å; I64-A67 VanDerWaalsContact O-N 3.14Å; I64-Y68 HydrophobicContact CG2-CD2 3.85Å; I64-Y68 HydrophobicContact CG2-CE2 3.58Å; I64-Y68 VanDerWaalsContact O-CD2 3.26Å; I64-Y68 WeakPolarHBondContact O-CD2 3.38Å; I64-Y68 PolarHBondContact O-N 3.27Å; I64-I116 HydrophobicContact CD1-CG2 4.08Å; I64-I116 HydrophobicContact CG1-CB 3.97Å; I64-I116 HydrophobicContact CG1-CG2 3.55Å; I64-H285 WeakPolarHBondContact CG2-CE1 3.47Å |
| 65 | T | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 174.5 | -48.8 | 0 | 0 | 0 | 0 | 110.8 | N39 I61 A62 L63 A67 Y68 A69 | N39-T65 VanDerWaalsContact CA-CG2 3.49Å; N39-T65 HydrophobicContact CB-CG2 3.68Å; N39-T65 WeakPolarHBondContact CB-O 3.22Å; N39-T65 WeakPolarHBondContact O-CG2 3.28Å; N39-T65 VanDerWaalsContact OD1-CG2 3.23Å; N39-T65 WeakPolarHBondContact OD1-CG2 3.27Å; I61-T65 PolarHBondContact O-N 3.4Å; I61-T65 PolarHBondContact O-OG1 3.26Å; A62-T65 CarbonylContact O-C 3.58Å; A62-T65 WeakPolarHBondContact O-CB 3.38Å; A62-T65 PolarHBondContact O-N 3.01Å; L63-T65 VanDerWaalsContact C-N 3.32Å; T65-A67 VanDerWaalsContact C-N 3.31Å; T65-A67 PolarHBondContact O-N 3.36Å; T65-Y68 PolarHBondContact O-N 2.92Å; T65-A69 PolarHBondContact O-N 3.07Å |
| 66 | L | 96.2 | Very high | 92.2 | Very high | 51 Ų | 51 | 17 Ų | 17 | 27% | 0.267 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -60 | -40.6 | 173.7 | -179 | 63.7 | 0 | 0 | 0 | 112 | F43 A62 L63 I64 A69 M70 | F43-L66 HydrophobicContact CD1-CD1 4.36Å; F43-L66 HydrophobicContact CD2-CB 3.83Å; F43-L66 HydrophobicContact CE1-CD1 4.43Å; F43-L66 HydrophobicContact CE2-CB 4.1Å; F43-L66 HydrophobicContact CE2-CD2 4.02Å; F43-L66 HydrophobicContact CG-CB 4.24Å; F43-L66 HydrophobicContact CG-CD1 4.46Å; F43-L66 HydrophobicContact CZ-CD2 4.09Å; A62-L66 PolarHBondContact O-N 2.96Å; L63-L66 WeakPolarHBondContact O-CB 3.11Å; L63-L66 PolarHBondContact O-N 3.44Å; I64-L66 VanDerWaalsContact C-N 3.33Å; I64-L66 PolarHBondContact O-N 3.15Å; L66-A69 WeakPolarHBondContact O-CA 3.23Å; L66-A69 VanDerWaalsContact O-CB 3.32Å; L66-A69 WeakPolarHBondContact O-CB 3.44Å; L66-A69 PolarHBondContact O-N 3.18Å; L66-A69 VanDerWaalsContact O-N 3.08Å; L66-M70 WeakPolarHBondContact O-CG 3.18Å; L66-M70 PolarHBondContact O-N 2.86Å |
| 67 | A | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L63 I64 T65 A69 M70 C71 M112 I113 | L63-A67 WeakPolarHBondContact O-CB 3.41Å; L63-A67 PolarHBondContact O-N 3.44Å; I64-A67 WeakPolarHBondContact O-CB 3.49Å; I64-A67 PolarHBondContact O-N 2.91Å; I64-A67 VanDerWaalsContact O-N 3.14Å; T65-A67 VanDerWaalsContact C-N 3.31Å; T65-A67 PolarHBondContact O-N 3.36Å; A67-A69 VanDerWaalsContact C-N 3.3Å; A67-A69 PolarHBondContact O-N 3.4Å; A67-M70 HydrophobicContact CB-CE 4.19Å; A67-M70 WeakPolarHBondContact O-CB 3.48Å; A67-M70 PolarHBondContact O-N 3.31Å; A67-M70 VanDerWaalsContact O-N 3.16Å; A67-C71 PolarHBondContact O-N 2.94Å; A67-C71 PolarHBondContact O-SG 3.3Å; A67-M112 HydrophobicContact CB-CB 3.73Å; A67-I113 HydrophobicContact CB-CG1 3.68Å |
| 68 | Y | 95.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 4% | 0.035 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.6 | -34.9 | 170 | -79.6 | -66.1 | 0 | 0 | 0 | 113.3 | I64 T65 M70 C71 G72 I113 Y245 G281 H285 | I64-Y68 HydrophobicContact CG2-CD2 3.85Å; I64-Y68 HydrophobicContact CG2-CE2 3.58Å; I64-Y68 VanDerWaalsContact O-CD2 3.26Å; I64-Y68 WeakPolarHBondContact O-CD2 3.38Å; I64-Y68 PolarHBondContact O-N 3.27Å; T65-Y68 PolarHBondContact O-N 2.92Å; Y68-M70 VanDerWaalsContact C-N 3.34Å; Y68-C71 WeakPolarHBondContact O-CB 3.5Å; Y68-C71 PolarHBondContact O-N 2.93Å; Y68-G72 PolarHBondContact O-N 3.45Å; Y68-I113 HydrophobicContact CD1-CD1 3.53Å; Y68-I113 HydrophobicContact CD1-CG1 4.47Å; Y68-I113 HydrophobicContact CD2-CD1 4.24Å; Y68-I113 HydrophobicContact CD2-CG1 4.34Å; Y68-I113 HydrophobicContact CE1-CD1 3.49Å; Y68-I113 VanDerWaalsContact CE1-CD1 3.49Å; Y68-I113 HydrophobicContact CE1-CG1 4.38Å; Y68-I113 HydrophobicContact CE2-CD1 4.17Å; Y68-I113 HydrophobicContact CE2-CG1 4.21Å; Y68-I113 HydrophobicContact CE2-CG2 4.49Å; Y68-I113 HydrophobicContact CG-CD1 3.93Å; Y68-I113 HydrophobicContact CG-CG1 4.47Å; Y68-Y245 HydrophobicContact CE1-CD2 4.4Å; Y68-Y245 WeakPolarHBondContact OH-CB 3.47Å; Y68-G281 VanDerWaalsContact CE1-C 3.48Å; Y68-H285 HydrophobicContact CD2-CB 3.92Å; Y68-H285 AromaticContact CD2-CD2 3.4Å; Y68-H285 WeakPolarHBondContact CD2-CD2 3.16Å; Y68-H285 AromaticContact CD2-CG 3.58Å; Y68-H285 AromaticContact CD2-NE2 3.93Å; Y68-H285 HydrophobicContact CE1-CB 4.46Å; Y68-H285 HydrophobicContact CE2-CB 3.42Å; Y68-H285 VanDerWaalsContact CE2-CB 3.42Å; Y68-H285 AromaticContact CE2-CD2 3.52Å; Y68-H285 AromaticContact CE2-CE1 3.95Å; Y68-H285 AromaticContact CE2-CG 3.19Å; Y68-H285 AromaticContact CE2-ND1 3.49Å; Y68-H285 WeakPolarHBondContact CE2-ND1 3.23Å; Y68-H285 AromaticContact CE2-NE2 3.99Å; Y68-H285 AromaticContact CZ-CG 3.99Å |
| 69 | A | 95.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N39 V40 T65 L66 A67 G72 I73 | N39-A69 HydrophobicContact CB-CB 4.03Å; V40-A69 HydrophobicContact CG2-CB 3.71Å; T65-A69 PolarHBondContact O-N 3.07Å; L66-A69 WeakPolarHBondContact O-CA 3.23Å; L66-A69 VanDerWaalsContact O-CB 3.32Å; L66-A69 WeakPolarHBondContact O-CB 3.44Å; L66-A69 PolarHBondContact O-N 3.18Å; L66-A69 VanDerWaalsContact O-N 3.08Å; A67-A69 VanDerWaalsContact C-N 3.3Å; A67-A69 PolarHBondContact O-N 3.4Å; A69-G72 WeakPolarHBondContact O-CA 3.19Å; A69-G72 PolarHBondContact O-N 3.35Å; A69-G72 VanDerWaalsContact O-N 3.14Å; A69-I73 WeakPolarHBondContact O-CG1 3.41Å; A69-I73 PolarHBondContact O-N 2.82Å |
| 70 | M | 94.8 | Very high | 92.2 | Very high | 45 Ų | 45 | 24.3 Ų | 24.3 | 22% | 0.222 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 173.9 | -61.4 | -170.7 | -62.5 | 0 | 0 | 112.3 | L66 A67 Y68 G72 I73 G74 G105 V108 M112 | L66-M70 WeakPolarHBondContact O-CG 3.18Å; L66-M70 PolarHBondContact O-N 2.86Å; A67-M70 HydrophobicContact CB-CE 4.19Å; A67-M70 WeakPolarHBondContact O-CB 3.48Å; A67-M70 PolarHBondContact O-N 3.31Å; A67-M70 VanDerWaalsContact O-N 3.16Å; Y68-M70 VanDerWaalsContact C-N 3.34Å; M70-G72 VanDerWaalsContact C-N 3.27Å; M70-G72 PolarHBondContact O-N 3.13Å; M70-I73 PolarHBondContact O-N 3.23Å; M70-G74 PolarHBondContact O-N 3.37Å; M70-G105 CarbonylContact C-O 3.14Å; M70-V108 HydrophobicContact CE-CG1 4.12Å; M70-V108 HydrophobicContact SD-CG1 4.35Å; M70-M112 HydrophobicContact CE-CB 4.27Å; M70-M112 HydrophobicContact CE-CE 3.82Å; M70-M112 HydrophobicContact CE-CG 4.17Å; M70-M112 HydrophobicContact CE-SD 3.16Å; M70-M112 WeakPolarHBondContact CE-SD 3.25Å; M70-M112 HydrophobicContact SD-SD 4.35Å |
| 71 | C | 93.5 | Very high | 91.9 | Very high | 17 Ų | 17 | 26.1 Ų | 26.1 | 12% | 0.115 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.5 | -41.3 | 171.4 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | A67 Y68 G74 S75 G109 | A67-C71 PolarHBondContact O-N 2.94Å; A67-C71 PolarHBondContact O-SG 3.3Å; Y68-C71 WeakPolarHBondContact O-CB 3.5Å; Y68-C71 PolarHBondContact O-N 2.93Å; C71-G74 PolarHBondContact O-N 3.03Å; C71-S75 WeakPolarHBondContact O-CB 3.15Å; C71-S75 PolarHBondContact O-N 2.94Å; C71-S75 PolarHBondContact O-OG 2.63Å; C71-G109 VanDerWaalsContact SG-CA 3.59Å |
| 72 | G | 92.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G32 Y68 A69 M70 S75 V76 | G32-G72 WeakPolarHBondContact O-CA 3.3Å; Y68-G72 PolarHBondContact O-N 3.45Å; A69-G72 WeakPolarHBondContact O-CA 3.19Å; A69-G72 PolarHBondContact O-N 3.35Å; A69-G72 VanDerWaalsContact O-N 3.14Å; M70-G72 VanDerWaalsContact C-N 3.27Å; M70-G72 PolarHBondContact O-N 3.13Å; G72-S75 WeakPolarHBondContact O-CB 3.31Å; G72-S75 PolarHBondContact O-N 3.36Å; G72-V76 WeakPolarHBondContact O-CG2 3.33Å; G72-V76 PolarHBondContact O-N 3.4Å |
| 73 | I | 93.1 | Very high | 90.7 | Very high | 80 Ų | 80 | 29 Ų | 29 | 41% | 0.41 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 175.8 | -66.8 | 165.9 | 0 | 0 | 0 | 110.7 | A69 M70 S75 V76 L77 | A69-I73 WeakPolarHBondContact O-CG1 3.41Å; A69-I73 PolarHBondContact O-N 2.82Å; M70-I73 PolarHBondContact O-N 3.23Å; I73-S75 VanDerWaalsContact C-N 3.25Å; I73-S75 PolarHBondContact O-N 2.9Å; I73-V76 PolarHBondContact O-N 2.8Å; I73-L77 HydrophobicContact CG2-CD1 3.88Å; I73-L77 HydrophobicContact CG2-CG 4.29Å; I73-L77 WeakPolarHBondContact O-CG 3.21Å; I73-L77 PolarHBondContact O-N 3.39Å |
| 74 | G | 91.4 | Very high | 90 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M70 C71 L77 K78 I106 | M70-G74 PolarHBondContact O-N 3.37Å; C71-G74 PolarHBondContact O-N 3.03Å; G74-L77 PolarHBondContact O-N 3.38Å; G74-K78 VanDerWaalsContact O-CB 3.27Å; G74-K78 WeakPolarHBondContact O-CB 3.36Å; G74-K78 PolarHBondContact O-N 3.46Å; G74-I106 VanDerWaalsContact C-CG1 3.47Å |
| 75 | S | 89.1 | Confident | 89.1 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | C71 G72 I73 S79 | C71-S75 WeakPolarHBondContact O-CB 3.15Å; C71-S75 PolarHBondContact O-N 2.94Å; C71-S75 PolarHBondContact O-OG 2.63Å; G72-S75 WeakPolarHBondContact O-CB 3.31Å; G72-S75 PolarHBondContact O-N 3.36Å; I73-S75 VanDerWaalsContact C-N 3.25Å; I73-S75 PolarHBondContact O-N 2.9Å; S75-S79 WeakPolarHBondContact O-CB 3.4Å; S75-S79 PolarHBondContact O-N 3.47Å; S75-S79 PolarHBondContact O-OG 3.31Å; S75-S79 VanDerWaalsContact O-OG 3.12Å |
| 76 | V | 91 | Very high | 88 | Confident | 40 Ų | 40 | 37.4 Ų | 37.4 | 24% | 0.242 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 176.2 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | S33 G72 I73 S79 A80 | S33-V76 WeakPolarHBondContact OG-CG2 3.14Å; G72-V76 WeakPolarHBondContact O-CG2 3.33Å; G72-V76 PolarHBondContact O-N 3.4Å; I73-V76 PolarHBondContact O-N 2.8Å; V76-S79 PolarHBondContact O-N 3.29Å; V76-A80 VanDerWaalsContact O-CB 3.26Å; V76-A80 WeakPolarHBondContact O-CB 3.41Å; V76-A80 PolarHBondContact O-N 3.41Å |
| 77 | L | 89.1 | Confident | 87.1 | Confident | 101 Ų | 101 | 41 Ų | 41 | 53% | 0.529 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.5 | -48.9 | 178.8 | -70.4 | 175 | 0 | 0 | 0 | 111.3 | I73 G74 S79 A80 T81 | I73-L77 HydrophobicContact CG2-CD1 3.88Å; I73-L77 HydrophobicContact CG2-CG 4.29Å; I73-L77 WeakPolarHBondContact O-CG 3.21Å; I73-L77 PolarHBondContact O-N 3.39Å; G74-L77 PolarHBondContact O-N 3.38Å; L77-S79 VanDerWaalsContact C-N 3.32Å; L77-S79 PolarHBondContact O-N 3.5Å; L77-A80 PolarHBondContact O-N 3.27Å; L77-T81 PolarHBondContact O-N 3.4Å; L77-T81 PolarHBondContact O-OG1 2.85Å |
| 78 | K | 86.1 | Confident | 85.8 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 24% | 0.235 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55 | -48.4 | 175.2 | -174.5 | -169.7 | 178.9 | -170.6 | 0 | 111.7 | G74 T81 L82 D102 R103 I106 C173 | G74-K78 VanDerWaalsContact O-CB 3.27Å; G74-K78 WeakPolarHBondContact O-CB 3.36Å; G74-K78 PolarHBondContact O-N 3.46Å; K78-T81 PolarHBondContact O-N 2.9Å; K78-L82 WeakPolarHBondContact O-CB 3.4Å; K78-L82 PolarHBondContact O-N 3.28Å; K78-D102 HydrophobicContact CG-CB 4.4Å; K78-R103 HydrophobicContact CD-CG 4.4Å; K78-I106 HydrophobicContact CD-CD1 4.17Å; K78-C173 WeakPolarHBondContact CE-O 3.3Å; K78-C173 PolarHBondContact NZ-O 3.03Å |
| 79 | S | 84.4 | Confident | 84 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66 | -38.3 | 179.3 | -69.5 | 0 | 0 | 0 | 0 | 112.2 | T25 T29 S75 V76 L77 L82 L83 | T25-S79 WeakPolarHBondContact CG2-O 3.3Å; T25-S79 PolarHBondContact O-OG 2.98Å; T29-S79 WeakPolarHBondContact OG1-CB 3.41Å; S75-S79 WeakPolarHBondContact O-CB 3.4Å; S75-S79 PolarHBondContact O-N 3.47Å; S75-S79 PolarHBondContact O-OG 3.31Å; S75-S79 VanDerWaalsContact O-OG 3.12Å; V76-S79 PolarHBondContact O-N 3.29Å; L77-S79 VanDerWaalsContact C-N 3.32Å; L77-S79 PolarHBondContact O-N 3.5Å; S79-L82 PolarHBondContact O-N 3.4Å; S79-L83 WeakPolarHBondContact O-CB 3.19Å; S79-L83 PolarHBondContact O-N 2.85Å |
| 80 | A | 84.8 | Confident | 82.2 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V76 L77 L82 L83 H84 | V76-A80 VanDerWaalsContact O-CB 3.26Å; V76-A80 WeakPolarHBondContact O-CB 3.41Å; V76-A80 PolarHBondContact O-N 3.41Å; L77-A80 PolarHBondContact O-N 3.27Å; A80-L82 VanDerWaalsContact C-N 3.34Å; A80-L82 PolarHBondContact O-N 2.85Å; A80-L83 PolarHBondContact O-N 2.86Å; A80-H84 WeakPolarHBondContact O-CB 3.46Å; A80-H84 PolarHBondContact O-N 3.31Å |
| 81 | T | 83.4 | Confident | 80.6 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 175 | -55.4 | 0 | 0 | 0 | 0 | 111 | L77 K78 H84 R85 F94 D102 | L77-T81 PolarHBondContact O-N 3.4Å; L77-T81 PolarHBondContact O-OG1 2.85Å; K78-T81 PolarHBondContact O-N 2.9Å; T81-H84 PolarHBondContact O-N 2.9Å; T81-R85 WeakPolarHBondContact O-CG 3.36Å; T81-R85 PolarHBondContact O-N 3.3Å; T81-R85 VanDerWaalsContact O-N 3.1Å; T81-F94 HydrophobicContact CG2-CE1 4.44Å; T81-D102 WeakPolarHBondContact CB-OD1 3.25Å; T81-D102 WeakPolarHBondContact CG2-OD1 3.46Å; T81-D102 WeakPolarHBondContact CG2-OD2 3.34Å; T81-D102 PolarHBondContact OG1-OD1 3.44Å |
| 82 | L | 79.9 | Confident | 79 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 177.8 | -178.2 | 60.1 | 0 | 0 | 0 | 111.4 | L21 T25 K78 S79 A80 H84 R85 L86 F94 | L21-L82 HydrophobicContact CD1-CD2 4.23Å; L21-L82 HydrophobicContact CG-CD2 4.37Å; T25-L82 HydrophobicContact CG2-CB 4.38Å; T25-L82 HydrophobicContact CG2-CD2 4.4Å; T25-L82 HydrophobicContact CG2-CG 4.46Å; T25-L82 VanDerWaalsContact OG1-CD2 3.23Å; T25-L82 WeakPolarHBondContact OG1-CD2 3.4Å; K78-L82 WeakPolarHBondContact O-CB 3.4Å; K78-L82 PolarHBondContact O-N 3.28Å; S79-L82 PolarHBondContact O-N 3.4Å; A80-L82 VanDerWaalsContact C-N 3.34Å; A80-L82 PolarHBondContact O-N 2.85Å; L82-H84 PolarHBondContact O-N 3.48Å; L82-R85 PolarHBondContact O-N 2.87Å; L82-L86 HydrophobicContact CD1-CD1 4.37Å; L82-L86 HydrophobicContact CD1-CG 4.4Å; L82-L86 HydrophobicContact CG-CD1 4.06Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.49Å; L82-L86 PolarHBondContact O-N 3.01Å; L82-F94 HydrophobicContact CD1-CE2 3.87Å; L82-F94 HydrophobicContact CD1-CZ 3.71Å |
| 83 | L | 81.2 | Confident | 77.7 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 178.3 | -171.9 | 63.1 | 0 | 0 | 0 | 112 | T25 Y26 S79 A80 R85 L86 I87 | T25-L83 HydrophobicContact CG2-CB 3.97Å; Y26-L83 HydrophobicContact CE1-CD2 4.3Å; Y26-L83 HydrophobicContact CE2-CD1 4.5Å; S79-L83 WeakPolarHBondContact O-CB 3.19Å; S79-L83 PolarHBondContact O-N 2.85Å; A80-L83 PolarHBondContact O-N 2.86Å; L83-R85 VanDerWaalsContact C-N 3.3Å; L83-R85 PolarHBondContact O-N 2.93Å; L83-L86 PolarHBondContact O-N 3.39Å; L83-I87 HydrophobicContact CD1-CD1 4.16Å; L83-I87 HydrophobicContact CD1-CG1 4.45Å; L83-I87 HydrophobicContact CG-CD1 3.88Å; L83-I87 WeakPolarHBondContact O-CG1 3.32Å; L83-I87 PolarHBondContact O-N 3.28Å |
| 84 | H | 81.9 | Confident | 76.7 | Confident | 145 Ų | 145 | 58.2 Ų | 58.2 | 67% | 0.671 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 176.6 | -178.6 | -87.7 | 0 | 0 | 0 | 111.7 | A80 T81 L82 G88 | A80-H84 WeakPolarHBondContact O-CB 3.46Å; A80-H84 PolarHBondContact O-N 3.31Å; T81-H84 PolarHBondContact O-N 2.9Å; L82-H84 PolarHBondContact O-N 3.48Å; H84-G88 PolarHBondContact O-N 3.35Å |
| 85 | R | 74.8 | Confident | 76.3 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 17% | 0.166 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 176.3 | -68.9 | 179.9 | -171.1 | -141.9 | 4 | 112.4 | T81 L82 L83 I87 G88 V93 Q98 | T81-R85 WeakPolarHBondContact O-CG 3.36Å; T81-R85 PolarHBondContact O-N 3.3Å; T81-R85 VanDerWaalsContact O-N 3.1Å; L82-R85 PolarHBondContact O-N 2.87Å; L83-R85 VanDerWaalsContact C-N 3.3Å; L83-R85 PolarHBondContact O-N 2.93Å; R85-I87 VanDerWaalsContact C-N 3.34Å; R85-I87 PolarHBondContact O-N 2.87Å; R85-G88 PolarHBondContact O-N 2.83Å; R85-V93 PolarHBondContact NH1-O 3.09Å; R85-Q98 VanDerWaalsContact NH2-CD 3.35Å |
| 86 | L | 73.4 | Confident | 76 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 178 | -69.4 | 169.8 | 0 | 0 | 0 | 112.1 | F18 L21 L82 L83 P92 | F18-L86 HydrophobicContact CD2-CD2 3.87Å; F18-L86 HydrophobicContact CE2-CB 4.01Å; F18-L86 HydrophobicContact CE2-CD2 3.56Å; F18-L86 HydrophobicContact CE2-CG 4.3Å; F18-L86 HydrophobicContact CZ-CB 4.26Å; L21-L86 HydrophobicContact CD2-CD2 4.26Å; L82-L86 HydrophobicContact CD1-CD1 4.37Å; L82-L86 HydrophobicContact CD1-CG 4.4Å; L82-L86 HydrophobicContact CG-CD1 4.06Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.49Å; L82-L86 PolarHBondContact O-N 3.01Å; L83-L86 PolarHBondContact O-N 3.39Å; L86-P92 HydrophobicContact CD2-CG 4.38Å |
| 87 | I | 76.4 | Confident | 75.8 | Confident | 126 Ų | 126 | 62.2 Ų | 62.2 | 65% | 0.646 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -74 | -39 | 177.9 | -65.5 | 168.5 | 0 | 0 | 0 | 111.4 | L83 R85 Q89 | L83-I87 HydrophobicContact CD1-CD1 4.16Å; L83-I87 HydrophobicContact CD1-CG1 4.45Å; L83-I87 HydrophobicContact CG-CD1 3.88Å; L83-I87 WeakPolarHBondContact O-CG1 3.32Å; L83-I87 PolarHBondContact O-N 3.28Å; R85-I87 VanDerWaalsContact C-N 3.34Å; R85-I87 PolarHBondContact O-N 2.87Å; I87-Q89 PolarHBondContact O-N 3.48Å; I87-Q89 VanDerWaalsContact O-N 3.09Å |
| 88 | G | 69.6 | Low | 75.7 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 56% | 0.557 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 4.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | H84 R85 A90 | H84-G88 PolarHBondContact O-N 3.35Å; R85-G88 PolarHBondContact O-N 2.83Å; G88-A90 PolarHBondContact O-N 3.47Å |
| 89 | Q | 57.6 | Low | 75.7 | Confident | 189 Ų | 189 | 58.5 Ų | 58.5 | 88% | 0.883 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 12 | -173.1 | -62.4 | -173.3 | -17.4 | 0 | 0 | 114.8 | I87 K91 | I87-Q89 PolarHBondContact O-N 3.48Å; I87-Q89 VanDerWaalsContact O-N 3.09Å; Q89-K91 PolarHBondContact O-N 3.31Å |
| 90 | A | 58.5 | Low | 75.9 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | trans | -70.5 | 130.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | G88 P92 | G88-A90 PolarHBondContact O-N 3.47Å; A90-P92 VanDerWaalsContact O-N 3.13Å | ||
| 91 | K | 59.8 | Low | 76.2 | Confident | 141 Ų | 141 | 61.6 Ų | 61.6 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | trans | -48.2 | 125.2 | 172 | -60.8 | -173.8 | 177.5 | -162.6 | 0 | 107.5 | E11 Q89 V93 | E11-K91 WeakPolarHBondContact OE1-CD 3.17Å; E11-K91 VanDerWaalsContact OE1-CE 3.32Å; E11-K91 WeakPolarHBondContact OE1-CE 3.46Å; E11-K91 IonicContact OE1-NZ 3.69Å; E11-K91 PolarHBondContact OE1-NZ 2.79Å; Q89-K91 PolarHBondContact O-N 3.31Å; K91-V93 HydrophobicContact CB-CG2 4.04Å; K91-V93 PolarHBondContact O-N 2.97Å | ||
| 92 | P | 59.8 | Low | 76.3 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | trans | -79 | 51.4 | -176.6 | 32 | -32.5 | 0 | 0 | 0 | 110.1 | I14 L86 A90 F94 | I14-P92 HydrophobicContact CB-CG 4.28Å; I14-P92 HydrophobicContact CD1-CG 3.6Å; I14-P92 HydrophobicContact CG1-CG 3.92Å; I14-P92 HydrophobicContact CG2-CG 3.38Å; L86-P92 HydrophobicContact CD2-CG 4.38Å; A90-P92 VanDerWaalsContact O-N 3.13Å; P92-F94 HydrophobicContact CB-CE2 4.46Å; P92-F94 WeakPolarHBondContact O-CD2 3.41Å | ||
| 93 | V | 65.9 | Low | 76.8 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 32% | 0.315 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 122.8 | 168.3 | -177.4 | 0 | 0 | 0 | 0 | 105.9 | R85 K91 P169 | R85-V93 PolarHBondContact NH1-O 3.09Å; K91-V93 HydrophobicContact CB-CG2 4.04Å; K91-V93 PolarHBondContact O-N 2.97Å; V93-P169 HydrophobicContact CG1-CB 3.35Å |
| 94 | F | 73.2 | Confident | 77.3 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 146.6 | 171 | -64.7 | -97.2 | 0 | 0 | 0 | 107.4 | T81 L82 P92 C99 D102 P169 I170 C173 | T81-F94 HydrophobicContact CG2-CE1 4.44Å; L82-F94 HydrophobicContact CD1-CE2 3.87Å; L82-F94 HydrophobicContact CD1-CZ 3.71Å; P92-F94 HydrophobicContact CB-CE2 4.46Å; P92-F94 WeakPolarHBondContact O-CD2 3.41Å; F94-C99 HydrophobicContact CB-CB 4.43Å; F94-D102 WeakPolarHBondContact CE1-OD2 3.16Å; F94-P169 CarbonylContact O-C 3.49Å; F94-P169 WeakPolarHBondContact O-CA 3.37Å; F94-I170 HydrophobicContact CB-CD1 4.23Å; F94-I170 HydrophobicContact CB-CG1 3.83Å; F94-I170 PolarHBondContact N-O 2.82Å; F94-I170 VanDerWaalsContact O-CG1 3.27Å; F94-I170 WeakPolarHBondContact O-CG1 3.28Å; F94-I170 PolarHBondContact O-N 3.4Å; F94-C173 HydrophobicContact CD2-CB 4.47Å; F94-C173 HydrophobicContact CG-CB 4.4Å |
| 95 | T | 82.7 | Confident | 77.7 | Confident | 29 Ų | 29 | 57 Ų | 57 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 153.8 | 156.4 | 58.2 | 0 | 0 | 0 | 0 | 108.5 | R97 Q98 C99 D167 E168 | T95-R97 PolarHBondContact O-N 3.02Å; T95-Q98 PolarHBondContact O-N 3.42Å; T95-Q98 VanDerWaalsContact O-N 3.13Å; T95-Q98 VanDerWaalsContact OG1-CB 3.23Å; T95-Q98 WeakPolarHBondContact OG1-CB 2.98Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.32Å; T95-Q98 PolarHBondContact OG1-N 2.96Å; T95-C99 PolarHBondContact O-N 3.43Å; T95-D167 HydrophobicContact CG2-CB 4.5Å; T95-E168 VanDerWaalsContact CA-O 3.3Å; T95-E168 WeakPolarHBondContact CA-O 3.42Å |
| 96 | E | 83.3 | Confident | 78.5 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -50.5 | -45.2 | 172.7 | -56.5 | -173.7 | 147.2 | 0 | 0 | 111.5 | Q98 C99 Y100 S166 E168 I170 T177 | E96-Q98 PolarHBondContact O-N 3.37Å; E96-C99 CarbonylContact O-C 3.54Å; E96-C99 WeakPolarHBondContact O-CA 3.47Å; E96-C99 WeakPolarHBondContact O-CB 3.48Å; E96-C99 PolarHBondContact O-N 3.04Å; E96-C99 VanDerWaalsContact O-N 3.09Å; E96-Y100 PolarHBondContact O-N 3.36Å; E96-S166 WeakPolarHBondContact CB-O 3.31Å; E96-S166 WeakPolarHBondContact OE2-CB 3.47Å; E96-S166 PolarHBondContact OE2-N 3.49Å; E96-S166 PolarHBondContact OE2-OG 3.1Å; E96-E168 PolarHBondContact N-O 3.33Å; E96-E168 VanDerWaalsContact N-O 3.11Å; E96-I170 HydrophobicContact CG-CG2 3.61Å; E96-T177 WeakPolarHBondContact CG-O 3.32Å |
| 97 | R | 86.2 | Confident | 79.2 | Confident | 83 Ų | 83 | 56.1 Ų | 56.1 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 176.7 | -178.3 | 172.9 | -70.6 | 168.3 | -0.6 | 114.4 | T95 C99 Y100 F101 S166 D167 | T95-R97 PolarHBondContact O-N 3.02Å; R97-C99 VanDerWaalsContact C-N 3.29Å; R97-C99 PolarHBondContact O-N 3.08Å; R97-Y100 WeakPolarHBondContact O-CB 3.47Å; R97-Y100 PolarHBondContact O-N 3.48Å; R97-F101 HydrophobicContact CG-CD2 4Å; R97-F101 HydrophobicContact CG-CE2 3.67Å; R97-F101 WeakPolarHBondContact O-CD2 3.25Å; R97-F101 PolarHBondContact O-N 3.05Å; R97-F101 VanDerWaalsContact O-N 3.07Å; R97-S166 PolarHBondContact N-O 2.66Å; R97-D167 IonicContact CZ-OD1 3.59Å; R97-D167 IonicContact NE-OD1 2.69Å; R97-D167 IonicContact NH1-OD1 3.92Å; R97-D167 IonicContact NH1-OD2 3.89Å; R97-D167 PolarHBondContact NH1-OD2 3.02Å |
| 98 | Q | 86.2 | Confident | 80.1 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 173.9 | -74.9 | 169.9 | 3.7 | 0 | 0 | 111.6 | R85 T95 E96 Y100 F101 D102 | R85-Q98 VanDerWaalsContact NH2-CD 3.35Å; T95-Q98 PolarHBondContact O-N 3.42Å; T95-Q98 VanDerWaalsContact O-N 3.13Å; T95-Q98 VanDerWaalsContact OG1-CB 3.23Å; T95-Q98 WeakPolarHBondContact OG1-CB 2.98Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.32Å; T95-Q98 PolarHBondContact OG1-N 2.96Å; E96-Q98 PolarHBondContact O-N 3.37Å; Q98-Y100 VanDerWaalsContact C-N 3.33Å; Q98-Y100 PolarHBondContact O-N 3.43Å; Q98-F101 PolarHBondContact O-N 3.01Å; Q98-D102 PolarHBondContact O-N 2.85Å |
| 99 | C | 86.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 176.8 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | F94 T95 E96 R97 D102 R103 I170 C173 | F94-C99 HydrophobicContact CB-CB 4.43Å; T95-C99 PolarHBondContact O-N 3.43Å; E96-C99 CarbonylContact O-C 3.54Å; E96-C99 WeakPolarHBondContact O-CA 3.47Å; E96-C99 WeakPolarHBondContact O-CB 3.48Å; E96-C99 PolarHBondContact O-N 3.04Å; E96-C99 VanDerWaalsContact O-N 3.09Å; R97-C99 VanDerWaalsContact C-N 3.29Å; R97-C99 PolarHBondContact O-N 3.08Å; C99-D102 PolarHBondContact O-N 3.39Å; C99-R103 WeakPolarHBondContact O-CB 3.44Å; C99-R103 VanDerWaalsContact O-CG 3.26Å; C99-R103 WeakPolarHBondContact O-CG 3.35Å; C99-R103 PolarHBondContact O-N 3.03Å; C99-I170 HydrophobicContact CB-CD1 3.6Å; C99-C173 WeakPolarHBondContact CA-SG 3.31Å; C99-C173 HydrophobicContact CB-CB 3.78Å; C99-C173 WeakPolarHBondContact CB-SG 3.26Å; C99-C173 PolarHBondContact O-SG 2.96Å; C99-C173 VanDerWaalsContact SG-C 3.54Å; C99-C173 WeakPolarHBondContact SG-CA 3.35Å; C99-C173 WeakPolarHBondContact SG-CB 3.43Å; C99-C173 CovalentContact SG-SG 2.04Å; C99-C173 PolarHBondContact SG-SG 2.88Å |
| 100 | Y | 89 | Confident | 82.8 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.9 | -51.8 | 172.2 | 168.9 | -95.6 | 0 | 0 | 0 | 111.2 | E96 R97 Q98 D102 R103 I104 E158 L161 Y162 T165 | E96-Y100 PolarHBondContact O-N 3.36Å; R97-Y100 WeakPolarHBondContact O-CB 3.47Å; R97-Y100 PolarHBondContact O-N 3.48Å; Q98-Y100 VanDerWaalsContact C-N 3.33Å; Q98-Y100 PolarHBondContact O-N 3.43Å; Y100-D102 VanDerWaalsContact C-N 3.33Å; Y100-D102 PolarHBondContact O-N 3.44Å; Y100-R103 CarbonylContact O-C 3.6Å; Y100-R103 PolarHBondContact O-N 3.46Å; Y100-I104 HydrophobicContact CE1-CD1 4.1Å; Y100-I104 PolarHBondContact O-N 3.2Å; Y100-I104 WeakPolarHBondContact OH-CD1 3.44Å; Y100-E158 VanDerWaalsContact CE2-OE2 3.26Å; Y100-E158 WeakPolarHBondContact CE2-OE2 3.23Å; Y100-E158 PolarHBondContact OH-O 3.43Å; Y100-E158 PolarHBondContact OH-OE2 3.48Å; Y100-L161 HydrophobicContact CD2-CB 4.17Å; Y100-L161 HydrophobicContact CE2-CB 3.8Å; Y100-L161 HydrophobicContact CE2-CD1 4.46Å; Y100-Y162 AromaticContact CD1-CD2 3.94Å; Y100-Y162 HydrophobicContact CD1-CD2 3.94Å; Y100-Y162 AromaticContact CE1-CD2 3.68Å; Y100-Y162 HydrophobicContact CE1-CD2 3.68Å; Y100-Y162 HydrophobicContact CE1-CG 4.29Å; Y100-T165 HydrophobicContact CD2-CG2 4.32Å; Y100-T165 HydrophobicContact CG-CG2 3.98Å |
| 101 | F | 90 | Very high | 84.5 | Confident | 111 Ų | 111 | 38.6 Ų | 38.6 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 178.8 | -75.5 | -61.3 | 0 | 0 | 0 | 113.3 | R97 Q98 R103 I104 Y162 | R97-F101 HydrophobicContact CG-CD2 4Å; R97-F101 HydrophobicContact CG-CE2 3.67Å; R97-F101 WeakPolarHBondContact O-CD2 3.25Å; R97-F101 PolarHBondContact O-N 3.05Å; R97-F101 VanDerWaalsContact O-N 3.07Å; Q98-F101 PolarHBondContact O-N 3.01Å; F101-R103 PolarHBondContact O-N 3.31Å; F101-I104 VanDerWaalsContact O-CG2 3.3Å; F101-I104 WeakPolarHBondContact O-CG2 3.45Å; F101-Y162 HydrophobicContact CE2-CE2 4.29Å; F101-Y162 HydrophobicContact CZ-CD2 4.41Å; F101-Y162 AromaticContact CZ-CE2 3.82Å; F101-Y162 HydrophobicContact CZ-CE2 3.82Å |
| 102 | D | 87.4 | Confident | 86.1 | Confident | 22 Ų | 22 | 33.4 Ų | 33.4 | 12% | 0.118 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.9 | -23.8 | 174.6 | -76.8 | -27.4 | 0 | 0 | 0 | 112.3 | K78 T81 F94 Q98 C99 Y100 | K78-D102 HydrophobicContact CG-CB 4.4Å; T81-D102 WeakPolarHBondContact CB-OD1 3.25Å; T81-D102 WeakPolarHBondContact CG2-OD1 3.46Å; T81-D102 WeakPolarHBondContact CG2-OD2 3.34Å; T81-D102 PolarHBondContact OG1-OD1 3.44Å; F94-D102 WeakPolarHBondContact CE1-OD2 3.16Å; Q98-D102 PolarHBondContact O-N 2.85Å; C99-D102 PolarHBondContact O-N 3.39Å; Y100-D102 VanDerWaalsContact C-N 3.33Å; Y100-D102 PolarHBondContact O-N 3.44Å |
| 103 | R | 88.9 | Confident | 87.8 | Confident | 45 Ų | 45 | 32.9 Ų | 32.9 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -102.5 | -12.3 | -176.5 | -71.3 | -175.5 | 66.4 | 104.5 | 9.9 | 114.8 | K78 C99 Y100 F101 G105 I106 S107 C173 I175 | K78-R103 HydrophobicContact CD-CG 4.4Å; C99-R103 WeakPolarHBondContact O-CB 3.44Å; C99-R103 VanDerWaalsContact O-CG 3.26Å; C99-R103 WeakPolarHBondContact O-CG 3.35Å; C99-R103 PolarHBondContact O-N 3.03Å; Y100-R103 CarbonylContact O-C 3.6Å; Y100-R103 PolarHBondContact O-N 3.46Å; F101-R103 PolarHBondContact O-N 3.31Å; R103-G105 PolarHBondContact O-N 2.93Å; R103-G105 VanDerWaalsContact O-N 3.14Å; R103-I106 WeakPolarHBondContact O-CA 3.26Å; R103-I106 WeakPolarHBondContact O-CB 3.38Å; R103-I106 PolarHBondContact O-N 2.81Å; R103-S107 PolarHBondContact O-N 2.84Å; R103-C173 PolarHBondContact NH1-O 2.83Å; R103-I175 VanDerWaalsContact NH1-N 3.17Å |
| 104 | I | 91.4 | Very high | 89.1 | Confident | 62 Ų | 62 | 30.5 Ų | 30.5 | 32% | 0.318 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -52.5 | -42.2 | -172.6 | -163.9 | 172.1 | 0 | 0 | 0 | 112.4 | Y100 F101 I106 S107 V108 | Y100-I104 HydrophobicContact CE1-CD1 4.1Å; Y100-I104 PolarHBondContact O-N 3.2Å; Y100-I104 WeakPolarHBondContact OH-CD1 3.44Å; F101-I104 VanDerWaalsContact O-CG2 3.3Å; F101-I104 WeakPolarHBondContact O-CG2 3.45Å; I104-I106 VanDerWaalsContact C-N 3.33Å; I104-I106 PolarHBondContact O-N 2.98Å; I104-S107 PolarHBondContact O-N 3.46Å; I104-V108 HydrophobicContact CG1-CG2 4.15Å; I104-V108 WeakPolarHBondContact O-CB 3.41Å; I104-V108 VanDerWaalsContact O-CG2 3.31Å; I104-V108 WeakPolarHBondContact O-CG2 3.47Å; I104-V108 PolarHBondContact O-N 3.25Å |
| 105 | G | 91.8 | Very high | 90.1 | Very high | 21 Ų | 21 | 30.5 Ų | 30.5 | 22% | 0.216 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.6 | -33.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | M70 R103 G109 | M70-G105 CarbonylContact C-O 3.14Å; R103-G105 PolarHBondContact O-N 2.93Å; R103-G105 VanDerWaalsContact O-N 3.14Å; G105-G109 PolarHBondContact O-N 2.97Å |
| 106 | I | 90.2 | Very high | 90.6 | Very high | 29 Ų | 29 | 29.3 Ų | 29.3 | 15% | 0.149 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71 | -44.3 | 173.7 | -55.5 | 178.1 | 0 | 0 | 0 | 109.6 | G74 K78 R103 I104 G109 T110 | G74-I106 VanDerWaalsContact C-CG1 3.47Å; K78-I106 HydrophobicContact CD-CD1 4.17Å; R103-I106 WeakPolarHBondContact O-CA 3.26Å; R103-I106 WeakPolarHBondContact O-CB 3.38Å; R103-I106 PolarHBondContact O-N 2.81Å; I104-I106 VanDerWaalsContact C-N 3.33Å; I104-I106 PolarHBondContact O-N 2.98Å; I106-G109 PolarHBondContact O-N 3.31Å; I106-T110 WeakPolarHBondContact O-CB 3.35Å; I106-T110 PolarHBondContact O-N 3.22Å; I106-T110 PolarHBondContact O-OG1 3.08Å |
| 107 | S | 90 | Very high | 91.1 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -57.8 | -177.9 | -169.5 | 0 | 0 | 0 | 0 | 111.3 | R103 I104 G109 T110 E111 E158 | R103-S107 PolarHBondContact O-N 2.84Å; I104-S107 PolarHBondContact O-N 3.46Å; S107-G109 VanDerWaalsContact C-N 3.29Å; S107-G109 PolarHBondContact O-N 3.4Å; S107-T110 WeakPolarHBondContact O-CA 3.23Å; S107-T110 WeakPolarHBondContact O-CB 3.31Å; S107-T110 PolarHBondContact O-N 2.96Å; S107-E111 WeakPolarHBondContact O-CG 3.35Å; S107-E111 PolarHBondContact O-N 2.96Å; S107-E158 WeakPolarHBondContact CB-OE1 2.96Å; S107-E158 PolarHBondContact OG-OE1 3.21Å |
| 108 | V | 93.6 | Very high | 91.5 | Very high | 32 Ų | 32 | 26.8 Ų | 26.8 | 19% | 0.194 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -52.7 | -44.8 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | M70 I104 T110 M112 V154 E158 | M70-V108 HydrophobicContact CE-CG1 4.12Å; M70-V108 HydrophobicContact SD-CG1 4.35Å; I104-V108 HydrophobicContact CG1-CG2 4.15Å; I104-V108 WeakPolarHBondContact O-CB 3.41Å; I104-V108 VanDerWaalsContact O-CG2 3.31Å; I104-V108 WeakPolarHBondContact O-CG2 3.47Å; I104-V108 PolarHBondContact O-N 3.25Å; V108-T110 PolarHBondContact O-N 3.02Å; V108-M112 HydrophobicContact CG1-SD 4.29Å; V108-M112 WeakPolarHBondContact O-CB 3.41Å; V108-M112 WeakPolarHBondContact O-CG 3.2Å; V108-M112 PolarHBondContact O-N 2.84Å; V108-V154 HydrophobicContact CB-CG1 4.49Å; V108-V154 HydrophobicContact CG1-CG1 4.1Å; V108-V154 HydrophobicContact CG2-CG1 4.26Å; V108-E158 HydrophobicContact CG2-CG 3.79Å; V108-E158 PolarHBondContact N-OE1 3.14Å |
| 109 | G | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C71 G105 I106 S107 I113 | C71-G109 VanDerWaalsContact SG-CA 3.59Å; G105-G109 PolarHBondContact O-N 2.97Å; I106-G109 PolarHBondContact O-N 3.31Å; S107-G109 VanDerWaalsContact C-N 3.29Å; S107-G109 PolarHBondContact O-N 3.4Å; G109-I113 WeakPolarHBondContact O-CD1 3.41Å; G109-I113 WeakPolarHBondContact O-CG1 3.26Å; G109-I113 PolarHBondContact O-N 2.97Å |
| 110 | T | 91.5 | Very high | 92 | Very high | 27 Ų | 27 | 24.8 Ų | 24.8 | 17% | 0.166 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.9 | -45.9 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | I106 S107 V108 I113 V114 Y191 Y245 | I106-T110 WeakPolarHBondContact O-CB 3.35Å; I106-T110 PolarHBondContact O-N 3.22Å; I106-T110 PolarHBondContact O-OG1 3.08Å; S107-T110 WeakPolarHBondContact O-CA 3.23Å; S107-T110 WeakPolarHBondContact O-CB 3.31Å; S107-T110 PolarHBondContact O-N 2.96Å; V108-T110 PolarHBondContact O-N 3.02Å; T110-I113 WeakPolarHBondContact O-CB 3.14Å; T110-I113 PolarHBondContact O-N 2.98Å; T110-V114 WeakPolarHBondContact O-CG2 3.35Å; T110-V114 PolarHBondContact O-N 2.73Å; T110-V114 VanDerWaalsContact O-N 3.1Å; T110-Y191 HydrophobicContact CG2-CE2 4.4Å; T110-Y245 WeakPolarHBondContact CG2-OH 3.37Å |
| 111 | E | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 176.1 | -70.6 | 179.3 | -177.3 | 0 | 0 | 111.3 | S107 I113 V114 D115 V154 A157 Y191 | S107-E111 WeakPolarHBondContact O-CG 3.35Å; S107-E111 PolarHBondContact O-N 2.96Å; E111-I113 VanDerWaalsContact C-N 3.3Å; E111-I113 PolarHBondContact O-N 3.14Å; E111-V114 PolarHBondContact O-N 3.21Å; E111-V114 VanDerWaalsContact O-N 3.15Å; E111-D115 PolarHBondContact O-N 3.38Å; E111-V154 HydrophobicContact CB-CG2 3.76Å; E111-V154 WeakPolarHBondContact OE2-CA 3.22Å; E111-V154 WeakPolarHBondContact OE2-CG1 3.49Å; E111-A157 WeakPolarHBondContact OE1-CB 3.49Å; E111-Y191 VanDerWaalsContact CD-OH 3.26Å; E111-Y191 HydrophobicContact CG-CE1 3.67Å; E111-Y191 WeakPolarHBondContact CG-OH 3.43Å; E111-Y191 PolarHBondContact OE1-OH 3.14Å |
| 112 | M | 94.4 | Very high | 92 | Very high | 32 Ų | 32 | 22.1 Ų | 22.1 | 16% | 0.158 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.4 | -38.6 | 177.4 | -76.2 | -171.5 | 56.2 | 0 | 0 | 112.4 | A67 M70 V108 I116 V150 V154 | A67-M112 HydrophobicContact CB-CB 3.73Å; M70-M112 HydrophobicContact CE-CB 4.27Å; M70-M112 HydrophobicContact CE-CE 3.82Å; M70-M112 HydrophobicContact CE-CG 4.17Å; M70-M112 HydrophobicContact CE-SD 3.16Å; M70-M112 WeakPolarHBondContact CE-SD 3.25Å; M70-M112 HydrophobicContact SD-SD 4.35Å; V108-M112 HydrophobicContact CG1-SD 4.29Å; V108-M112 WeakPolarHBondContact O-CB 3.41Å; V108-M112 WeakPolarHBondContact O-CG 3.2Å; V108-M112 PolarHBondContact O-N 2.84Å; M112-I116 HydrophobicContact CB-CD1 4.1Å; M112-I116 HydrophobicContact CE-CD1 3.93Å; M112-I116 WeakPolarHBondContact O-CB 3.37Å; M112-I116 VanDerWaalsContact O-CD1 3.27Å; M112-I116 WeakPolarHBondContact O-CD1 3.2Å; M112-I116 WeakPolarHBondContact O-CG1 3.41Å; M112-I116 PolarHBondContact O-N 3.08Å; M112-V150 HydrophobicContact CG-CG1 4.11Å; M112-V154 HydrophobicContact CG-CG2 3.92Å |
| 113 | I | 94.5 | Very high | 92 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 175.6 | -70.9 | 158.6 | 0 | 0 | 0 | 110.7 | A67 Y68 G109 T110 E111 S117 Y245 | A67-I113 HydrophobicContact CB-CG1 3.68Å; Y68-I113 HydrophobicContact CD1-CD1 3.53Å; Y68-I113 HydrophobicContact CD1-CG1 4.47Å; Y68-I113 HydrophobicContact CD2-CD1 4.24Å; Y68-I113 HydrophobicContact CD2-CG1 4.34Å; Y68-I113 HydrophobicContact CE1-CD1 3.49Å; Y68-I113 VanDerWaalsContact CE1-CD1 3.49Å; Y68-I113 HydrophobicContact CE1-CG1 4.38Å; Y68-I113 HydrophobicContact CE2-CD1 4.17Å; Y68-I113 HydrophobicContact CE2-CG1 4.21Å; Y68-I113 HydrophobicContact CE2-CG2 4.49Å; Y68-I113 HydrophobicContact CG-CD1 3.93Å; Y68-I113 HydrophobicContact CG-CG1 4.47Å; G109-I113 WeakPolarHBondContact O-CD1 3.41Å; G109-I113 WeakPolarHBondContact O-CG1 3.26Å; G109-I113 PolarHBondContact O-N 2.97Å; T110-I113 WeakPolarHBondContact O-CB 3.14Å; T110-I113 PolarHBondContact O-N 2.98Å; E111-I113 VanDerWaalsContact C-N 3.3Å; E111-I113 PolarHBondContact O-N 3.14Å; I113-S117 WeakPolarHBondContact O-CB 3.14Å; I113-S117 PolarHBondContact O-N 3.42Å; I113-S117 PolarHBondContact O-OG 3.49Å; I113-Y245 HydrophobicContact CG2-CD1 4.39Å; I113-Y245 HydrophobicContact CG2-CD2 4.12Å; I113-Y245 HydrophobicContact CG2-CE1 4.34Å; I113-Y245 HydrophobicContact CG2-CE2 4.06Å; I113-Y245 HydrophobicContact CG2-CG 4.27Å |
| 114 | V | 93.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.2 | -51.2 | -178.2 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | T110 E111 S117 F118 L194 I195 Y245 | T110-V114 WeakPolarHBondContact O-CG2 3.35Å; T110-V114 PolarHBondContact O-N 2.73Å; T110-V114 VanDerWaalsContact O-N 3.1Å; E111-V114 PolarHBondContact O-N 3.21Å; E111-V114 VanDerWaalsContact O-N 3.15Å; V114-S117 PolarHBondContact O-N 3.06Å; V114-F118 PolarHBondContact O-N 2.94Å; V114-L194 HydrophobicContact CG1-CB 3.44Å; V114-L194 VanDerWaalsContact CG1-CB 3.44Å; V114-L194 HydrophobicContact CG1-CD1 3.8Å; V114-L194 HydrophobicContact CG1-CG 4.28Å; V114-I195 HydrophobicContact CG1-CG1 4.2Å; V114-I195 HydrophobicContact CG2-CD1 4.12Å; V114-I195 HydrophobicContact CG2-CG1 4.07Å; V114-Y245 HydrophobicContact CG2-CE1 3.95Å |
| 115 | D | 94.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 3% | 0.032 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.6 | -47.9 | -176.1 | -67 | -12.9 | 0 | 0 | 0 | 111.7 | E111 S117 F118 F119 V150 H153 L194 | E111-D115 PolarHBondContact O-N 3.38Å; D115-S117 VanDerWaalsContact C-N 3.29Å; D115-S117 PolarHBondContact O-N 2.88Å; D115-F118 PolarHBondContact O-N 3.32Å; D115-F119 WeakPolarHBondContact O-CD2 3.48Å; D115-F119 PolarHBondContact O-N 3.15Å; D115-V150 HydrophobicContact CB-CB 4.38Å; D115-V150 HydrophobicContact CB-CG1 4.03Å; D115-V150 HydrophobicContact CB-CG2 3.85Å; D115-H153 VanDerWaalsContact CG-ND1 3.3Å; D115-H153 IonicContact OD1-CE1 3.8Å; D115-H153 PolarHBondContact OD1-CE1 3.34Å; D115-H153 IonicContact OD1-ND1 3.61Å; D115-H153 PolarHBondContact OD1-ND1 3.34Å; D115-H153 VanDerWaalsContact OD1-ND1 3.15Å; D115-H153 IonicContact OD2-CE1 2.87Å; D115-H153 IonicContact OD2-CG 2.79Å; D115-H153 IonicContact OD2-ND1 3.21Å; D115-H153 PolarHBondContact OD2-ND1 3.22Å; D115-L194 WeakPolarHBondContact OD1-CD1 3.17Å |
| 116 | I | 94.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.8 | -36.2 | -179.7 | -60.8 | 162.4 | 0 | 0 | 0 | 110 | Q60 L63 I64 M112 F119 T120 V150 | Q60-I116 HydrophobicContact CB-CG2 4.21Å; L63-I116 HydrophobicContact CB-CD1 3.73Å; L63-I116 HydrophobicContact CB-CG2 4.43Å; I64-I116 HydrophobicContact CD1-CG2 4.08Å; I64-I116 HydrophobicContact CG1-CB 3.97Å; I64-I116 HydrophobicContact CG1-CG2 3.55Å; M112-I116 HydrophobicContact CB-CD1 4.1Å; M112-I116 HydrophobicContact CE-CD1 3.93Å; M112-I116 WeakPolarHBondContact O-CB 3.37Å; M112-I116 VanDerWaalsContact O-CD1 3.27Å; M112-I116 WeakPolarHBondContact O-CD1 3.2Å; M112-I116 WeakPolarHBondContact O-CG1 3.41Å; M112-I116 PolarHBondContact O-N 3.08Å; I116-F119 PolarHBondContact O-N 3.37Å; I116-T120 VanDerWaalsContact O-CB 3.23Å; I116-T120 WeakPolarHBondContact O-CB 3.42Å; I116-T120 PolarHBondContact O-N 2.96Å; I116-T120 PolarHBondContact O-OG1 3.41Å; I116-V150 HydrophobicContact CG1-CG1 4.41Å; I116-V150 HydrophobicContact CG1-CG2 4.3Å |
| 117 | S | 93.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 8% | 0.077 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 175 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | I113 V114 D115 T120 A121 | I113-S117 WeakPolarHBondContact O-CB 3.14Å; I113-S117 PolarHBondContact O-N 3.42Å; I113-S117 PolarHBondContact O-OG 3.49Å; V114-S117 PolarHBondContact O-N 3.06Å; D115-S117 VanDerWaalsContact C-N 3.29Å; D115-S117 PolarHBondContact O-N 2.88Å; S117-T120 WeakPolarHBondContact O-CB 3.47Å; S117-T120 PolarHBondContact O-N 3.04Å; S117-A121 PolarHBondContact O-N 3.01Å |
| 118 | F | 93.8 | Very high | 90.2 | Very high | 46 Ų | 46 | 19.9 Ų | 19.9 | 20% | 0.202 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.9 | -50 | 175.8 | 177.7 | -102.6 | 0 | 0 | 0 | 111.9 | V114 D115 T120 A121 M122 L194 A197 T198 I201 | V114-F118 PolarHBondContact O-N 2.94Å; D115-F118 PolarHBondContact O-N 3.32Å; F118-T120 VanDerWaalsContact C-N 3.3Å; F118-T120 PolarHBondContact O-N 3.39Å; F118-A121 WeakPolarHBondContact O-CB 3.46Å; F118-A121 PolarHBondContact O-N 3.22Å; F118-A121 VanDerWaalsContact O-N 3.09Å; F118-M122 HydrophobicContact CD1-CG 4.4Å; F118-M122 HydrophobicContact CE1-CG 3.94Å; F118-M122 HydrophobicContact CE2-CG 4.33Å; F118-M122 HydrophobicContact CZ-CG 3.9Å; F118-M122 HydrophobicContact CZ-SD 4.34Å; F118-M122 PolarHBondContact O-N 3.01Å; F118-L194 HydrophobicContact CD1-CD2 4.25Å; F118-L194 HydrophobicContact CD2-CD2 4.29Å; F118-L194 HydrophobicContact CG-CD2 4.13Å; F118-A197 HydrophobicContact CD2-CB 4.25Å; F118-A197 HydrophobicContact CE2-CB 3.91Å; F118-T198 VanDerWaalsContact CA-OG1 3.32Å; F118-T198 WeakPolarHBondContact CA-OG1 3.4Å; F118-T198 WeakPolarHBondContact CB-OG1 3.43Å; F118-I201 HydrophobicContact CD2-CD1 4.27Å; F118-I201 HydrophobicContact CE2-CD1 3.82Å |
| 119 | F | 92.9 | Very high | 89.6 | Confident | 36 Ų | 36 | 23.9 Ų | 23.9 | 16% | 0.158 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -35.5 | 176.5 | -79.3 | -64.6 | 0 | 0 | 0 | 112.5 | D115 I116 A121 M122 D123 E146 I149 V150 | D115-F119 WeakPolarHBondContact O-CD2 3.48Å; D115-F119 PolarHBondContact O-N 3.15Å; I116-F119 PolarHBondContact O-N 3.37Å; F119-A121 VanDerWaalsContact C-N 3.34Å; F119-A121 PolarHBondContact O-N 2.89Å; F119-M122 PolarHBondContact O-N 2.66Å; F119-D123 WeakPolarHBondContact O-CB 3.43Å; F119-D123 PolarHBondContact O-N 3.26Å; F119-E146 HydrophobicContact CB-CB 4.39Å; F119-E146 HydrophobicContact CB-CG 4.21Å; F119-E146 HydrophobicContact CD1-CB 4.23Å; F119-E146 HydrophobicContact CD1-CG 3.77Å; F119-E146 HydrophobicContact CE1-CG 4.43Å; F119-E146 HydrophobicContact CG-CB 4.17Å; F119-E146 HydrophobicContact CG-CG 4.08Å; F119-I149 HydrophobicContact CE1-CD1 4.29Å; F119-I149 HydrophobicContact CE2-CB 4.29Å; F119-I149 HydrophobicContact CE2-CG2 4.05Å; F119-I149 HydrophobicContact CZ-CB 3.92Å; F119-I149 HydrophobicContact CZ-CD1 4.12Å; F119-I149 HydrophobicContact CZ-CG2 3.61Å; F119-V150 HydrophobicContact CD2-CG2 3.69Å; F119-V150 HydrophobicContact CE2-CG2 3.86Å |
| 120 | T | 90.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 171.8 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | Q60 I116 S117 F118 M122 D123 R124 Y202 L238 | Q60-T120 WeakPolarHBondContact CB-OG1 3.41Å; Q60-T120 PolarHBondContact OE1-OG1 2.99Å; I116-T120 VanDerWaalsContact O-CB 3.23Å; I116-T120 WeakPolarHBondContact O-CB 3.42Å; I116-T120 PolarHBondContact O-N 2.96Å; I116-T120 PolarHBondContact O-OG1 3.41Å; S117-T120 WeakPolarHBondContact O-CB 3.47Å; S117-T120 PolarHBondContact O-N 3.04Å; F118-T120 VanDerWaalsContact C-N 3.3Å; F118-T120 PolarHBondContact O-N 3.39Å; T120-M122 VanDerWaalsContact C-N 3.33Å; T120-M122 PolarHBondContact O-N 3.34Å; T120-D123 PolarHBondContact O-N 2.88Å; T120-R124 WeakPolarHBondContact O-CB 3.32Å; T120-R124 WeakPolarHBondContact O-CG 3.41Å; T120-R124 PolarHBondContact O-N 2.83Å; T120-Y202 WeakPolarHBondContact CG2-OH 3.38Å; T120-L238 HydrophobicContact CG2-CD1 3.9Å; T120-L238 HydrophobicContact CG2-CD2 4.38Å |
| 121 | A | 90 | Very high | 87.7 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | S117 F118 F119 R124 C125 T198 I201 Y202 | S117-A121 PolarHBondContact O-N 3.01Å; F118-A121 WeakPolarHBondContact O-CB 3.46Å; F118-A121 PolarHBondContact O-N 3.22Å; F118-A121 VanDerWaalsContact O-N 3.09Å; F119-A121 VanDerWaalsContact C-N 3.34Å; F119-A121 PolarHBondContact O-N 2.89Å; A121-R124 WeakPolarHBondContact O-CB 3.47Å; A121-R124 PolarHBondContact O-N 2.76Å; A121-C125 PolarHBondContact O-N 3.41Å; A121-T198 HydrophobicContact CB-CG2 4.1Å; A121-I201 HydrophobicContact CB-CB 4.06Å; A121-I201 HydrophobicContact CB-CD1 4.37Å; A121-I201 HydrophobicContact CB-CG2 3.65Å; A121-Y202 HydrophobicContact CB-CD1 4.25Å; A121-Y202 HydrophobicContact CB-CE1 3.78Å; A121-Y202 HydrophobicContact CB-CE2 4.11Å |
| 122 | M | 89.5 | Confident | 86.6 | Confident | 71 Ų | 71 | 35.8 Ų | 35.8 | 35% | 0.35 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.8 | -48.1 | 176 | -74.6 | -61.2 | -63.1 | 0 | 0 | 113.1 | F118 F119 T120 R124 C125 I126 I201 | F118-M122 HydrophobicContact CD1-CG 4.4Å; F118-M122 HydrophobicContact CE1-CG 3.94Å; F118-M122 HydrophobicContact CE2-CG 4.33Å; F118-M122 HydrophobicContact CZ-CG 3.9Å; F118-M122 HydrophobicContact CZ-SD 4.34Å; F118-M122 PolarHBondContact O-N 3.01Å; F119-M122 PolarHBondContact O-N 2.66Å; T120-M122 VanDerWaalsContact C-N 3.33Å; T120-M122 PolarHBondContact O-N 3.34Å; M122-R124 PolarHBondContact O-N 3.15Å; M122-C125 WeakPolarHBondContact O-CA 3.36Å; M122-C125 VanDerWaalsContact O-CB 3.28Å; M122-C125 WeakPolarHBondContact O-CB 3.45Å; M122-C125 PolarHBondContact O-N 2.92Å; M122-I126 WeakPolarHBondContact O-CG1 3.34Å; M122-I126 PolarHBondContact O-N 3.33Å; M122-I201 HydrophobicContact CG-CD1 4.32Å; M122-I201 HydrophobicContact SD-CD1 3.83Å |
| 123 | D | 87.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -38.3 | 176 | 171 | 81.6 | 0 | 0 | 0 | 110.9 | F119 T120 I126 A127 Y134 | F119-D123 WeakPolarHBondContact O-CB 3.43Å; F119-D123 PolarHBondContact O-N 3.26Å; T120-D123 PolarHBondContact O-N 2.88Å; D123-I126 PolarHBondContact O-N 3.23Å; D123-A127 VanDerWaalsContact O-CB 3.27Å; D123-A127 WeakPolarHBondContact O-CB 3.3Å; D123-A127 PolarHBondContact O-N 2.87Å; D123-Y134 WeakPolarHBondContact OD1-CE2 3.45Å; D123-Y134 PolarHBondContact OD1-OH 3.35Å; D123-Y134 PolarHBondContact OD2-OH 3.41Å |
| 124 | R | 85.3 | Confident | 83.8 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 12% | 0.121 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | 174.2 | -71.1 | -49.5 | 101.8 | 173.6 | -1.3 | 113.3 | T120 A121 M122 I128 L205 M235 | T120-R124 WeakPolarHBondContact O-CB 3.32Å; T120-R124 WeakPolarHBondContact O-CG 3.41Å; T120-R124 PolarHBondContact O-N 2.83Å; A121-R124 WeakPolarHBondContact O-CB 3.47Å; A121-R124 PolarHBondContact O-N 2.76Å; M122-R124 PolarHBondContact O-N 3.15Å; R124-I128 WeakPolarHBondContact O-CG1 3.39Å; R124-I128 PolarHBondContact O-N 2.97Å; R124-L205 HydrophobicContact CB-CD1 3.92Å; R124-M235 HydrophobicContact CB-CE 3.49Å; R124-M235 VanDerWaalsContact CB-CE 3.49Å; R124-M235 HydrophobicContact CB-SD 3.86Å; R124-M235 HydrophobicContact CG-CE 3.63Å; R124-M235 HydrophobicContact CG-SD 3.65Å |
| 125 | C | 86 | Confident | 82.3 | Confident | 23 Ų | 23 | 46 Ų | 46 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -50.1 | 170.4 | -87.2 | 0 | 0 | 0 | 0 | 111.9 | A121 M122 A127 I128 F129 I201 | A121-C125 PolarHBondContact O-N 3.41Å; M122-C125 WeakPolarHBondContact O-CA 3.36Å; M122-C125 VanDerWaalsContact O-CB 3.28Å; M122-C125 WeakPolarHBondContact O-CB 3.45Å; M122-C125 PolarHBondContact O-N 2.92Å; C125-A127 VanDerWaalsContact C-N 3.31Å; C125-A127 PolarHBondContact O-N 3.2Å; C125-I128 PolarHBondContact O-N 3.38Å; C125-F129 HydrophobicContact CB-CD2 4.43Å; C125-F129 WeakPolarHBondContact O-CD2 3.41Å; C125-F129 PolarHBondContact O-N 3.38Å; C125-I201 WeakPolarHBondContact SG-CG2 3.48Å |
| 126 | I | 84 | Confident | 80.6 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 179.8 | -63.6 | 167.2 | 0 | 0 | 0 | 109.8 | M122 D123 I128 A130 Y134 W142 | M122-I126 WeakPolarHBondContact O-CG1 3.34Å; M122-I126 PolarHBondContact O-N 3.33Å; D123-I126 PolarHBondContact O-N 3.23Å; I126-I128 PolarHBondContact O-N 2.71Å; I126-A130 HydrophobicContact CG2-CB 4.1Å; I126-A130 CarbonylContact O-C 3.57Å; I126-A130 VanDerWaalsContact O-CA 3.23Å; I126-A130 WeakPolarHBondContact O-CA 3.2Å; I126-A130 WeakPolarHBondContact O-CB 3.47Å; I126-A130 PolarHBondContact O-N 2.97Å; I126-Y134 HydrophobicContact CG2-CD2 4.05Å; I126-W142 HydrophobicContact CD1-CH2 4.01Å; I126-W142 HydrophobicContact CD1-CZ2 3.33Å |
| 127 | A | 79.8 | Confident | 78.6 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -21.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | D123 C125 Y134 | D123-A127 VanDerWaalsContact O-CB 3.27Å; D123-A127 WeakPolarHBondContact O-CB 3.3Å; D123-A127 PolarHBondContact O-N 2.87Å; C125-A127 VanDerWaalsContact C-N 3.31Å; C125-A127 PolarHBondContact O-N 3.2Å; A127-Y134 HydrophobicContact CB-CD2 4.4Å; A127-Y134 HydrophobicContact CB-CE2 4.31Å |
| 128 | I | 78.6 | Confident | 76.9 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 16% | 0.159 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -94.3 | -51.5 | 179.2 | -71.9 | 169.1 | 0 | 0 | 0 | 111.5 | R124 C125 I126 L205 I209 M235 | R124-I128 WeakPolarHBondContact O-CG1 3.39Å; R124-I128 PolarHBondContact O-N 2.97Å; C125-I128 PolarHBondContact O-N 3.38Å; I126-I128 PolarHBondContact O-N 2.71Å; I128-L205 HydrophobicContact CB-CD2 4.5Å; I128-L205 HydrophobicContact CD1-CD1 4.5Å; I128-L205 HydrophobicContact CD1-CD2 3.73Å; I128-I209 HydrophobicContact CD1-CD1 3.87Å; I128-I209 HydrophobicContact CD1-CG1 4.18Å; I128-M235 HydrophobicContact CD1-CE 3.66Å |
| 129 | F | 80.1 | Confident | 75.7 | Confident | 115 Ų | 115 | 63.4 Ų | 63.4 | 50% | 0.504 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -88.9 | -31.4 | -172.9 | -64.2 | -66.9 | 0 | 0 | 0 | 113 | C125 L205 W208 | C125-F129 HydrophobicContact CB-CD2 4.43Å; C125-F129 WeakPolarHBondContact O-CD2 3.41Å; C125-F129 PolarHBondContact O-N 3.38Å; F129-L205 HydrophobicContact CD2-CD2 4.47Å; F129-L205 HydrophobicContact CE2-CD2 3.67Å; F129-L205 HydrophobicContact CZ-CD2 4.29Å; F129-W208 HydrophobicContact CD1-CZ2 4.42Å; F129-W208 AromaticContact CE1-CD2 3.71Å; F129-W208 HydrophobicContact CE1-CD2 3.71Å; F129-W208 AromaticContact CE1-CE2 3.5Å; F129-W208 HydrophobicContact CE1-CE3 4.14Å; F129-W208 HydrophobicContact CE1-CG 4.12Å; F129-W208 HydrophobicContact CE1-CH2 4.2Å; F129-W208 AromaticContact CE1-CZ2 3.78Å; F129-W208 HydrophobicContact CE1-CZ2 3.78Å; F129-W208 HydrophobicContact CE1-CZ3 4.36Å; F129-W208 AromaticContact CE1-NE1 3.76Å; F129-W208 AromaticContact CZ-CD2 3.98Å; F129-W208 HydrophobicContact CZ-CD2 3.98Å; F129-W208 HydrophobicContact CZ-CE3 4.42Å; F129-W208 HydrophobicContact CZ-CG 4.02Å |
| 130 | A | 75.3 | Confident | 74.9 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | trans | -116.3 | 40.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I126 F132 F133 Y134 | I126-A130 HydrophobicContact CG2-CB 4.1Å; I126-A130 CarbonylContact O-C 3.57Å; I126-A130 VanDerWaalsContact O-CA 3.23Å; I126-A130 WeakPolarHBondContact O-CA 3.2Å; I126-A130 WeakPolarHBondContact O-CB 3.47Å; I126-A130 PolarHBondContact O-N 2.97Å; A130-F132 PolarHBondContact O-N 3.44Å; A130-F133 HydrophobicContact CB-CB 4.35Å; A130-F133 HydrophobicContact CB-CD2 4.08Å; A130-F133 WeakPolarHBondContact O-CA 3.5Å; A130-F133 PolarHBondContact O-N 2.91Å; A130-Y134 PolarHBondContact O-N 3.34Å | ||
| 131 | A | 71.5 | Confident | 74.4 | Confident | 66 Ų | 66 | 76.3 Ų | 76.3 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -54.8 | -27.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y134 | A131-Y134 PolarHBondContact O-N 2.87Š|
| 132 | F | 68.8 | Low | 74.1 | Confident | 183 Ų | 183 | 81.3 Ų | 81.3 | 80% | 0.803 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -65.5 | -35.6 | 173.8 | -174.7 | -97.2 | 0 | 0 | 0 | 113.1 | A130 Y134 | A130-F132 PolarHBondContact O-N 3.44Å; F132-Y134 VanDerWaalsContact C-N 3.3Å |
| 133 | F | 65 | Low | 73.9 | Confident | 138 Ų | 138 | 78.5 Ų | 78.5 | 61% | 0.605 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -85.5 | -0.5 | 178.5 | -67.5 | -78.6 | 0 | 0 | 0 | 113.8 | A130 P135 | A130-F133 HydrophobicContact CB-CB 4.35Å; A130-F133 HydrophobicContact CB-CD2 4.08Å; A130-F133 WeakPolarHBondContact O-CA 3.5Å; A130-F133 PolarHBondContact O-N 2.91Å; F133-P135 WeakPolarHBondContact O-CD 3.2Å |
| 134 | Y | 65.8 | Low | 73.9 | Confident | 61 Ų | 61 | 82 Ų | 82 | 24% | 0.239 | 40% | 0.402 | C | S | . | . | trans | -98.7 | 47.3 | 175.6 | -147.3 | -94.3 | 0 | 0 | 0 | 113.8 | N56 D123 I126 A127 A130 A131 F132 K136 | N56-Y134 PolarHBondContact ND2-OH 3.03Å; D123-Y134 WeakPolarHBondContact OD1-CE2 3.45Å; D123-Y134 PolarHBondContact OD1-OH 3.35Å; D123-Y134 PolarHBondContact OD2-OH 3.41Å; I126-Y134 HydrophobicContact CG2-CD2 4.05Å; A127-Y134 HydrophobicContact CB-CD2 4.4Å; A127-Y134 HydrophobicContact CB-CE2 4.31Å; A130-Y134 PolarHBondContact O-N 3.34Å; A131-Y134 PolarHBondContact O-N 2.87Å; F132-Y134 VanDerWaalsContact C-N 3.3Å; Y134-K136 PolarHBondContact O-N 3.49Å | ||
| 135 | P | 61.3 | Low | 74 | Confident | 54 Ų | 54 | 82 Ų | 82 | 35% | 0.351 | 41% | 0.409 | S | S | . | . | trans | -56.5 | 132.2 | 166.6 | -19.3 | 29.2 | 0 | 0 | 0 | 110 | F133 T137 R138 | F133-P135 WeakPolarHBondContact O-CD 3.2Å; P135-T137 PolarHBondContact O-N 2.96Å; P135-R138 PolarHBondContact O-N 3.41Å | ||
| 136 | K | 58.5 | Low | 74.3 | Confident | 119 Ų | 119 | 81.3 Ų | 81.3 | 52% | 0.517 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -31.2 | 179.4 | -57.5 | -169.4 | -159.7 | -156.1 | 0 | 114.1 | Y134 S139 D323 | Y134-K136 PolarHBondContact O-N 3.49Å; K136-S139 WeakPolarHBondContact O-CB 3.39Å; K136-S139 PolarHBondContact O-N 2.83Å; K136-S139 PolarHBondContact O-OG 3.47Å; K136-D323 VanDerWaalsContact CD-OD2 3.23Å; K136-D323 WeakPolarHBondContact CD-OD2 3.5Å; K136-D323 WeakPolarHBondContact CE-O 3.03Å; K136-D323 WeakPolarHBondContact CE-OD1 3.19Å; K136-D323 WeakPolarHBondContact CE-OD2 3.46Å; K136-D323 PolarHBondContact NZ-O 2.98Å; K136-D323 IonicContact NZ-OD1 2.73Å; K136-D323 PolarHBondContact NZ-OD1 3.4Å; K136-D323 IonicContact NZ-OD2 3.45Å; K136-D323 PolarHBondContact NZ-OD2 3.35Å |
| 137 | T | 53.2 | Low | 74.6 | Confident | 130 Ų | 130 | 82.4 Ų | 82.4 | 80% | 0.798 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -26.7 | -179.5 | 40.3 | 0 | 0 | 0 | 0 | 113.3 | P135 S139 | P135-T137 PolarHBondContact O-N 2.96Å; T137-S139 VanDerWaalsContact C-N 3.35Å |
| 138 | R | 57.9 | Low | 75.3 | Confident | 167 Ų | 167 | 84.8 Ų | 84.8 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -10.2 | 173.3 | -71 | -171 | 176.6 | 177.1 | -1.2 | 113.2 | P135 K140 F141 W142 | P135-R138 PolarHBondContact O-N 3.41Å; R138-K140 VanDerWaalsContact C-N 3.32Å; R138-K140 PolarHBondContact O-N 3.35Å; R138-F141 PolarHBondContact O-N 2.92Å; R138-W142 PolarHBondContact O-N 3.42Å |
| 139 | S | 67 | Low | 76 | Confident | 17 Ų | 17 | 87.6 Ų | 87.6 | 12% | 0.119 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64 | -34.9 | -174.5 | 99.2 | 0 | 0 | 0 | 0 | 112.9 | N56 K136 T137 W142 I143 | N56-S139 WeakPolarHBondContact ND2-CB 3.44Å; N56-S139 PolarHBondContact ND2-O 3.34Å; N56-S139 WeakPolarHBondContact OD1-CB 3.11Å; N56-S139 PolarHBondContact OD1-O 2.9Å; N56-S139 PolarHBondContact OD1-OG 3.07Å; K136-S139 WeakPolarHBondContact O-CB 3.39Å; K136-S139 PolarHBondContact O-N 2.83Å; K136-S139 PolarHBondContact O-OG 3.47Å; T137-S139 VanDerWaalsContact C-N 3.35Å; S139-W142 PolarHBondContact O-N 3.24Å; S139-I143 PolarHBondContact O-N 2.73Å; S139-I143 VanDerWaalsContact O-N 3.15Å |
| 140 | K | 76.6 | Confident | 76.7 | Confident | 144 Ų | 144 | 82.4 Ų | 82.4 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -71.7 | -42.2 | 178.9 | -70.5 | -171.8 | 179.9 | -178.7 | 0 | 112.7 | R138 W142 I143 C144 | R138-K140 VanDerWaalsContact C-N 3.32Å; R138-K140 PolarHBondContact O-N 3.35Å; K140-W142 PolarHBondContact O-N 2.95Å; K140-I143 VanDerWaalsContact O-CG2 3.25Å; K140-I143 WeakPolarHBondContact O-CG2 3.15Å; K140-I143 PolarHBondContact O-N 2.88Å; K140-C144 PolarHBondContact O-N 3.41Å; K140-C144 VanDerWaalsContact O-N 3.12Å; K140-C144 PolarHBondContact O-SG 2.87Å |
| 141 | F | 80.9 | Confident | 77.6 | Confident | 163 Ų | 163 | 88.3 Ų | 88.3 | 72% | 0.715 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62 | -39.7 | 175.2 | -177.1 | -95.6 | 0 | 0 | 0 | 110.4 | R138 C144 A145 | R138-F141 PolarHBondContact O-N 2.92Å; F141-C144 PolarHBondContact O-N 2.88Å; F141-A145 WeakPolarHBondContact O-CB 3.41Å; F141-A145 PolarHBondContact O-N 2.79Å |
| 142 | W | 82.4 | Confident | 78.8 | Confident | 104 Ų | 104 | 91.9 Ų | 91.9 | 39% | 0.394 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.9 | -50.7 | 178 | -167.3 | -100 | 0 | 0 | 0 | 112.7 | I126 R138 S139 K140 C144 A145 E146 | I126-W142 HydrophobicContact CD1-CH2 4.01Å; I126-W142 HydrophobicContact CD1-CZ2 3.33Å; R138-W142 PolarHBondContact O-N 3.42Å; S139-W142 PolarHBondContact O-N 3.24Å; K140-W142 PolarHBondContact O-N 2.95Å; W142-C144 VanDerWaalsContact C-N 3.31Å; W142-C144 PolarHBondContact O-N 3.33Å; W142-A145 WeakPolarHBondContact O-CB 3.21Å; W142-A145 PolarHBondContact O-N 2.87Å; W142-A145 VanDerWaalsContact O-N 3.15Å; W142-E146 PolarHBondContact NE1-OE1 3.49Å; W142-E146 WeakPolarHBondContact O-CG 3.28Å; W142-E146 PolarHBondContact O-N 3.01Å |
| 143 | I | 85.3 | Confident | 80 | Confident | 12 Ų | 12 | 85.6 Ų | 85.6 | 6% | 0.062 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.3 | -33.4 | 179 | -165.9 | 163.4 | 0 | 0 | 0 | 112.6 | I59 Q60 S139 K140 E146 L147 | I59-I143 HydrophobicContact CB-CD1 3.49Å; I59-I143 VanDerWaalsContact CB-CD1 3.49Å; I59-I143 HydrophobicContact CD1-CD1 3.85Å; I59-I143 HydrophobicContact CG1-CD1 4.29Å; I59-I143 HydrophobicContact CG2-CD1 3.4Å; Q60-I143 HydrophobicContact CG-CD1 4.3Å; S139-I143 PolarHBondContact O-N 2.73Å; S139-I143 VanDerWaalsContact O-N 3.15Å; K140-I143 VanDerWaalsContact O-CG2 3.25Å; K140-I143 WeakPolarHBondContact O-CG2 3.15Å; K140-I143 PolarHBondContact O-N 2.88Å; I143-E146 PolarHBondContact O-N 3.19Å; I143-L147 HydrophobicContact CG1-CD1 4.42Å; I143-L147 WeakPolarHBondContact O-CB 3.48Å; I143-L147 VanDerWaalsContact O-CG 3.3Å; I143-L147 WeakPolarHBondContact O-CG 3.47Å; I143-L147 PolarHBondContact O-N 3.1Å |
| 144 | C | 87.6 | Confident | 81.4 | Confident | 73 Ų | 73 | 79.7 Ų | 79.7 | 49% | 0.493 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 173 | -70.6 | 0 | 0 | 0 | 0 | 111.7 | K140 F141 W142 L147 T148 | K140-C144 PolarHBondContact O-N 3.41Å; K140-C144 VanDerWaalsContact O-N 3.12Å; K140-C144 PolarHBondContact O-SG 2.87Å; F141-C144 PolarHBondContact O-N 2.88Å; W142-C144 VanDerWaalsContact C-N 3.31Å; W142-C144 PolarHBondContact O-N 3.33Å; C144-L147 PolarHBondContact O-N 2.89Å; C144-T148 WeakPolarHBondContact O-CB 3.26Å; C144-T148 PolarHBondContact O-N 2.97Å; C144-T148 PolarHBondContact O-OG1 2.95Å |
| 145 | A | 89.2 | Confident | 82.7 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F141 W142 L147 T148 I149 | F141-A145 WeakPolarHBondContact O-CB 3.41Å; F141-A145 PolarHBondContact O-N 2.79Å; W142-A145 WeakPolarHBondContact O-CB 3.21Å; W142-A145 PolarHBondContact O-N 2.87Å; W142-A145 VanDerWaalsContact O-N 3.15Å; A145-L147 PolarHBondContact O-N 3.41Å; A145-T148 WeakPolarHBondContact O-CB 3.49Å; A145-T148 PolarHBondContact O-N 2.83Å; A145-I149 WeakPolarHBondContact O-CG1 3.43Å; A145-I149 PolarHBondContact O-N 2.97Å |
| 146 | E | 90.9 | Very high | 84.3 | Confident | 9 Ų | 9 | 79 Ų | 79 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -55.9 | -51.3 | 174.2 | -69.1 | 177 | 164.9 | 0 | 0 | 111.2 | Q60 F119 W142 I143 T148 I149 V150 | Q60-E146 PolarHBondContact NE2-OE2 3.27Å; F119-E146 HydrophobicContact CB-CB 4.39Å; F119-E146 HydrophobicContact CB-CG 4.21Å; F119-E146 HydrophobicContact CD1-CB 4.23Å; F119-E146 HydrophobicContact CD1-CG 3.77Å; F119-E146 HydrophobicContact CE1-CG 4.43Å; F119-E146 HydrophobicContact CG-CB 4.17Å; F119-E146 HydrophobicContact CG-CG 4.08Å; W142-E146 PolarHBondContact NE1-OE1 3.49Å; W142-E146 WeakPolarHBondContact O-CG 3.28Å; W142-E146 PolarHBondContact O-N 3.01Å; I143-E146 PolarHBondContact O-N 3.19Å; E146-T148 VanDerWaalsContact C-N 3.27Å; E146-T148 PolarHBondContact O-N 3.35Å; E146-I149 PolarHBondContact O-N 3.49Å; E146-I149 VanDerWaalsContact O-N 3.15Å; E146-V150 VanDerWaalsContact O-CG2 3.22Å; E146-V150 WeakPolarHBondContact O-CG2 3.28Å; E146-V150 PolarHBondContact O-N 3.26Å |
| 147 | L | 91.2 | Very high | 85.9 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 34% | 0.335 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.8 | -35.7 | 178.5 | -78.2 | 175.8 | 0 | 0 | 0 | 113.2 | L63 I143 C144 A145 F151 | L63-L147 HydrophobicContact CD1-CD1 4.26Å; L63-L147 HydrophobicContact CD1-CD2 3.59Å; L63-L147 HydrophobicContact CD1-CG 4.27Å; L63-L147 HydrophobicContact CD2-CD2 4.37Å; I143-L147 HydrophobicContact CG1-CD1 4.42Å; I143-L147 WeakPolarHBondContact O-CB 3.48Å; I143-L147 VanDerWaalsContact O-CG 3.3Å; I143-L147 WeakPolarHBondContact O-CG 3.47Å; I143-L147 PolarHBondContact O-N 3.1Å; C144-L147 PolarHBondContact O-N 2.89Å; A145-L147 PolarHBondContact O-N 3.41Å; L147-F151 WeakPolarHBondContact O-CB 3.37Å; L147-F151 PolarHBondContact O-N 2.97Å |
| 148 | T | 93.4 | Very high | 87.7 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 42% | 0.423 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 176.7 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | C144 A145 E146 F151 F152 | C144-T148 WeakPolarHBondContact O-CB 3.26Å; C144-T148 PolarHBondContact O-N 2.97Å; C144-T148 PolarHBondContact O-OG1 2.95Å; A145-T148 WeakPolarHBondContact O-CB 3.49Å; A145-T148 PolarHBondContact O-N 2.83Å; E146-T148 VanDerWaalsContact C-N 3.27Å; E146-T148 PolarHBondContact O-N 3.35Å; T148-F151 PolarHBondContact O-N 2.84Å; T148-F152 HydrophobicContact CG2-CD2 3.67Å; T148-F152 HydrophobicContact CG2-CE2 3.42Å; T148-F152 VanDerWaalsContact CG2-CE2 3.42Å; T148-F152 WeakPolarHBondContact O-CD2 3.3Å; T148-F152 PolarHBondContact O-N 3.47Å |
| 149 | I | 94.6 | Very high | 89.3 | Confident | 91 Ų | 91 | 68 Ų | 68 | 47% | 0.467 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 176.5 | -62.2 | 162.1 | 0 | 0 | 0 | 110.5 | F119 A145 E146 F151 F152 H153 | F119-I149 HydrophobicContact CE1-CD1 4.29Å; F119-I149 HydrophobicContact CE2-CB 4.29Å; F119-I149 HydrophobicContact CE2-CG2 4.05Å; F119-I149 HydrophobicContact CZ-CB 3.92Å; F119-I149 HydrophobicContact CZ-CD1 4.12Å; F119-I149 HydrophobicContact CZ-CG2 3.61Å; A145-I149 WeakPolarHBondContact O-CG1 3.43Å; A145-I149 PolarHBondContact O-N 2.97Å; E146-I149 PolarHBondContact O-N 3.49Å; E146-I149 VanDerWaalsContact O-N 3.15Å; I149-F151 VanDerWaalsContact C-N 3.3Å; I149-F151 PolarHBondContact O-N 3.41Å; I149-F152 PolarHBondContact O-N 2.89Å; I149-H153 VanDerWaalsContact O-CB 3.31Å; I149-H153 WeakPolarHBondContact O-CB 3.47Å; I149-H153 PolarHBondContact O-N 3.14Å |
| 150 | V | 93.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.2 | -48.4 | 174.4 | 175.1 | 0 | 0 | 0 | 0 | 110 | M112 D115 I116 F119 E146 F152 H153 V154 | M112-V150 HydrophobicContact CG-CG1 4.11Å; D115-V150 HydrophobicContact CB-CB 4.38Å; D115-V150 HydrophobicContact CB-CG1 4.03Å; D115-V150 HydrophobicContact CB-CG2 3.85Å; I116-V150 HydrophobicContact CG1-CG1 4.41Å; I116-V150 HydrophobicContact CG1-CG2 4.3Å; F119-V150 HydrophobicContact CD2-CG2 3.69Å; F119-V150 HydrophobicContact CE2-CG2 3.86Å; E146-V150 VanDerWaalsContact O-CG2 3.22Å; E146-V150 WeakPolarHBondContact O-CG2 3.28Å; E146-V150 PolarHBondContact O-N 3.26Å; V150-F152 PolarHBondContact O-N 3.16Å; V150-H153 PolarHBondContact O-N 3.41Å; V150-V154 HydrophobicContact CG1-CG2 4.06Å; V150-V154 WeakPolarHBondContact O-CB 3.4Å; V150-V154 WeakPolarHBondContact O-CG2 3.44Å; V150-V154 PolarHBondContact O-N 3.3Å |
| 151 | F | 94.6 | Very high | 90.9 | Very high | 152 Ų | 152 | 64.1 Ų | 64.1 | 67% | 0.667 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | -179.5 | -177.1 | -96.1 | 0 | 0 | 0 | 112.8 | L147 T148 I149 G155 | L147-F151 WeakPolarHBondContact O-CB 3.37Å; L147-F151 PolarHBondContact O-N 2.97Å; T148-F151 PolarHBondContact O-N 2.84Å; I149-F151 VanDerWaalsContact C-N 3.3Å; I149-F151 PolarHBondContact O-N 3.41Å; F151-G155 PolarHBondContact O-N 3.41Å |
| 152 | F | 95.8 | Very high | 91.4 | Very high | 142 Ų | 142 | 60.4 Ų | 60.4 | 62% | 0.623 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.9 | -39.6 | 176.6 | -79 | -60.7 | 0 | 0 | 0 | 112.6 | T148 I149 V150 S156 | T148-F152 HydrophobicContact CG2-CD2 3.67Å; T148-F152 HydrophobicContact CG2-CE2 3.42Å; T148-F152 VanDerWaalsContact CG2-CE2 3.42Å; T148-F152 WeakPolarHBondContact O-CD2 3.3Å; T148-F152 PolarHBondContact O-N 3.47Å; I149-F152 PolarHBondContact O-N 2.89Å; V150-F152 PolarHBondContact O-N 3.16Å; F152-S156 WeakPolarHBondContact O-CB 3.16Å; F152-S156 PolarHBondContact O-N 2.89Å |
| 153 | H | 95.1 | Very high | 91.7 | Very high | 51 Ų | 51 | 61.8 Ų | 61.8 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 177.5 | -179.4 | -109.4 | 0 | 0 | 0 | 110.9 | D115 I149 V150 S156 A157 | D115-H153 VanDerWaalsContact CG-ND1 3.3Å; D115-H153 IonicContact OD1-CE1 3.8Å; D115-H153 PolarHBondContact OD1-CE1 3.34Å; D115-H153 IonicContact OD1-ND1 3.61Å; D115-H153 PolarHBondContact OD1-ND1 3.34Å; D115-H153 VanDerWaalsContact OD1-ND1 3.15Å; D115-H153 IonicContact OD2-CE1 2.87Å; D115-H153 IonicContact OD2-CG 2.79Å; D115-H153 IonicContact OD2-ND1 3.21Å; D115-H153 PolarHBondContact OD2-ND1 3.22Å; I149-H153 VanDerWaalsContact O-CB 3.31Å; I149-H153 WeakPolarHBondContact O-CB 3.47Å; I149-H153 PolarHBondContact O-N 3.14Å; V150-H153 PolarHBondContact O-N 3.41Å; H153-S156 WeakPolarHBondContact O-CB 3.38Å; H153-S156 PolarHBondContact O-N 3.17Å; H153-A157 WeakPolarHBondContact O-CB 3.49Å; H153-A157 PolarHBondContact O-N 2.96Å |
| 154 | V | 94.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 64.7 Ų | 64.7 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | V108 E111 M112 V150 S156 A157 E158 | V108-V154 HydrophobicContact CB-CG1 4.49Å; V108-V154 HydrophobicContact CG1-CG1 4.1Å; V108-V154 HydrophobicContact CG2-CG1 4.26Å; E111-V154 HydrophobicContact CB-CG2 3.76Å; E111-V154 WeakPolarHBondContact OE2-CA 3.22Å; E111-V154 WeakPolarHBondContact OE2-CG1 3.49Å; M112-V154 HydrophobicContact CG-CG2 3.92Å; V150-V154 HydrophobicContact CG1-CG2 4.06Å; V150-V154 WeakPolarHBondContact O-CB 3.4Å; V150-V154 WeakPolarHBondContact O-CG2 3.44Å; V150-V154 PolarHBondContact O-N 3.3Å; V154-S156 VanDerWaalsContact C-N 3.29Å; V154-S156 PolarHBondContact O-N 3.03Å; V154-A157 PolarHBondContact O-N 3.27Å; V154-E158 HydrophobicContact CG1-CG 4.4Å; V154-E158 WeakPolarHBondContact O-CB 3.22Å; V154-E158 WeakPolarHBondContact O-CG 3.45Å; V154-E158 PolarHBondContact O-N 3.31Å |
| 155 | G | 93.9 | Very high | 91.9 | Very high | 40 Ų | 40 | 61.8 Ų | 61.8 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F151 W159 | F151-G155 PolarHBondContact O-N 3.41Å; G155-W159 WeakPolarHBondContact O-CB 3.29Å; G155-W159 PolarHBondContact O-N 3.46Å |
| 156 | S | 93.9 | Very high | 91.7 | Very high | 60 Ų | 60 | 61.7 Ų | 61.7 | 42% | 0.42 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 112.1 | F152 H153 V154 W159 R160 | F152-S156 WeakPolarHBondContact O-CB 3.16Å; F152-S156 PolarHBondContact O-N 2.89Å; H153-S156 WeakPolarHBondContact O-CB 3.38Å; H153-S156 PolarHBondContact O-N 3.17Å; V154-S156 VanDerWaalsContact C-N 3.29Å; V154-S156 PolarHBondContact O-N 3.03Å; S156-W159 PolarHBondContact O-N 3.01Å; S156-R160 WeakPolarHBondContact O-CG 3.38Å; S156-R160 PolarHBondContact O-N 3.48Å |
| 157 | A | 91.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E111 H153 V154 W159 R160 L161 L187 | E111-A157 WeakPolarHBondContact OE1-CB 3.49Å; H153-A157 WeakPolarHBondContact O-CB 3.49Å; H153-A157 PolarHBondContact O-N 2.96Å; V154-A157 PolarHBondContact O-N 3.27Å; A157-W159 VanDerWaalsContact C-N 3.32Å; A157-W159 PolarHBondContact O-N 2.73Å; A157-R160 PolarHBondContact O-N 3.48Å; A157-L161 PolarHBondContact O-N 3.22Å; A157-L187 HydrophobicContact CB-CD1 3.76Å |
| 158 | E | 91.7 | Very high | 90.9 | Very high | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.065 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 175.5 | -69.9 | -62.2 | 159.5 | 0 | 0 | 112.4 | Y100 S107 V108 V154 L161 Y162 | Y100-E158 VanDerWaalsContact CE2-OE2 3.26Å; Y100-E158 WeakPolarHBondContact CE2-OE2 3.23Å; Y100-E158 PolarHBondContact OH-O 3.43Å; Y100-E158 PolarHBondContact OH-OE2 3.48Å; S107-E158 WeakPolarHBondContact CB-OE1 2.96Å; S107-E158 PolarHBondContact OG-OE1 3.21Å; V108-E158 HydrophobicContact CG2-CG 3.79Å; V108-E158 PolarHBondContact N-OE1 3.14Å; V154-E158 HydrophobicContact CG1-CG 4.4Å; V154-E158 WeakPolarHBondContact O-CB 3.22Å; V154-E158 WeakPolarHBondContact O-CG 3.45Å; V154-E158 PolarHBondContact O-N 3.31Å; E158-L161 PolarHBondContact O-N 3.02Å; E158-Y162 VanDerWaalsContact O-CB 3.31Å; E158-Y162 WeakPolarHBondContact O-CB 3.37Å; E158-Y162 PolarHBondContact O-N 3.48Å |
| 159 | W | 92.5 | Very high | 90 | Very high | 171 Ų | 171 | 70.2 Ų | 70.2 | 65% | 0.648 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 175 | 179.9 | -95.5 | 0 | 0 | 0 | 112.4 | G155 S156 A157 Y162 H163 | G155-W159 WeakPolarHBondContact O-CB 3.29Å; G155-W159 PolarHBondContact O-N 3.46Å; S156-W159 PolarHBondContact O-N 3.01Å; A157-W159 VanDerWaalsContact C-N 3.32Å; A157-W159 PolarHBondContact O-N 2.73Å; W159-Y162 PolarHBondContact O-N 3.31Å; W159-H163 WeakPolarHBondContact O-CB 3.34Å; W159-H163 PolarHBondContact O-N 3.21Å |
| 160 | R | 90 | Very high | 88.9 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 26% | 0.26 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 174.8 | -73.3 | -176.4 | -62 | -170.5 | -0.8 | 111 | S156 A157 Y162 H163 D164 E186 E190 | S156-R160 WeakPolarHBondContact O-CG 3.38Å; S156-R160 PolarHBondContact O-N 3.48Å; A157-R160 PolarHBondContact O-N 3.48Å; R160-Y162 PolarHBondContact O-N 2.94Å; R160-H163 PolarHBondContact O-N 2.64Å; R160-D164 PolarHBondContact O-N 3.2Å; R160-E186 IonicContact CZ-OE1 2.81Å; R160-E186 IonicContact NH1-OE1 3.38Å; R160-E186 PolarHBondContact NH1-OE1 3Å; R160-E190 IonicContact CZ-OE1 3.15Å; R160-E190 IonicContact CZ-OE2 2.76Å; R160-E190 IonicContact NH1-OE1 3.82Å; R160-E190 PolarHBondContact NH1-OE1 3.31Å; R160-E190 IonicContact NH1-OE2 3.47Å; R160-E190 IonicContact NH2-OE1 3.6Å; R160-E190 PolarHBondContact NH2-OE1 3.42Å; R160-E190 IonicContact NH2-OE2 3.75Å; R160-E190 PolarHBondContact NH2-OE2 2.97Å |
| 161 | L | 87 | Confident | 87.4 | Confident | 11 Ų | 11 | 67.8 Ų | 67.8 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 177.2 | -75.8 | 178 | 0 | 0 | 0 | 112 | Y100 A157 E158 D164 T165 S179 L187 | Y100-L161 HydrophobicContact CD2-CB 4.17Å; Y100-L161 HydrophobicContact CE2-CB 3.8Å; Y100-L161 HydrophobicContact CE2-CD1 4.46Å; A157-L161 PolarHBondContact O-N 3.22Å; E158-L161 PolarHBondContact O-N 3.02Å; L161-D164 PolarHBondContact O-N 2.93Å; L161-T165 WeakPolarHBondContact O-CG2 3.49Å; L161-T165 PolarHBondContact O-N 2.93Å; L161-S179 WeakPolarHBondContact CD2-OG 3.35Å; L161-L187 HydrophobicContact CD1-CD2 3.56Å; L161-L187 HydrophobicContact CD2-CD2 3.94Å; L161-L187 HydrophobicContact CG-CD2 3.9Å |
| 162 | Y | 90.2 | Very high | 86 | Confident | 85 Ų | 85 | 63.7 Ų | 63.7 | 33% | 0.333 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | -179.5 | 176.3 | -107.1 | 0 | 0 | 0 | 112.3 | Y100 F101 E158 W159 R160 D164 T165 | Y100-Y162 AromaticContact CD1-CD2 3.94Å; Y100-Y162 HydrophobicContact CD1-CD2 3.94Å; Y100-Y162 AromaticContact CE1-CD2 3.68Å; Y100-Y162 HydrophobicContact CE1-CD2 3.68Å; Y100-Y162 HydrophobicContact CE1-CG 4.29Å; F101-Y162 HydrophobicContact CE2-CE2 4.29Å; F101-Y162 HydrophobicContact CZ-CD2 4.41Å; F101-Y162 AromaticContact CZ-CE2 3.82Å; F101-Y162 HydrophobicContact CZ-CE2 3.82Å; E158-Y162 VanDerWaalsContact O-CB 3.31Å; E158-Y162 WeakPolarHBondContact O-CB 3.37Å; E158-Y162 PolarHBondContact O-N 3.48Å; W159-Y162 PolarHBondContact O-N 3.31Å; R160-Y162 PolarHBondContact O-N 2.94Å; Y162-D164 PolarHBondContact O-N 2.92Å; Y162-T165 WeakPolarHBondContact O-CB 3.46Å; Y162-T165 WeakPolarHBondContact O-CG2 3.49Å; Y162-T165 PolarHBondContact O-N 3.47Å; Y162-T165 VanDerWaalsContact O-N 3.16Å; Y162-T165 PolarHBondContact O-OG1 3.22Å |
| 163 | H | 90.3 | Very high | 85 | Confident | 133 Ų | 133 | 57.5 Ų | 57.5 | 62% | 0.616 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.9 | -30.8 | -178.8 | -171.1 | -81.6 | 0 | 0 | 0 | 112.3 | W159 R160 T165 | W159-H163 WeakPolarHBondContact O-CB 3.34Å; W159-H163 PolarHBondContact O-N 3.21Å; R160-H163 PolarHBondContact O-N 2.64Å; H163-T165 VanDerWaalsContact C-N 3.29Å; H163-T165 PolarHBondContact O-N 2.86Å |
| 164 | D | 87.4 | Confident | 83.9 | Confident | 73 Ų | 73 | 56.3 Ų | 56.3 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 19.2 | 177.8 | -73.2 | 1.8 | 0 | 0 | 0 | 113 | R160 L161 Y162 S179 G180 A183 | R160-D164 PolarHBondContact O-N 3.2Å; L161-D164 PolarHBondContact O-N 2.93Å; Y162-D164 PolarHBondContact O-N 2.92Å; D164-S179 CarbonylContact O-C 3.52Å; D164-S179 WeakPolarHBondContact O-CA 3.2Å; D164-G180 PolarHBondContact O-N 2.95Å; D164-A183 HydrophobicContact CB-CB 4.05Å; D164-A183 WeakPolarHBondContact OD2-CB 3.19Å |
| 165 | T | 88 | Confident | 82.6 | Confident | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | trans | -90.9 | 142.4 | 169.6 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | Y100 L161 Y162 H163 A178 | Y100-T165 HydrophobicContact CD2-CG2 4.32Å; Y100-T165 HydrophobicContact CG-CG2 3.98Å; L161-T165 WeakPolarHBondContact O-CG2 3.49Å; L161-T165 PolarHBondContact O-N 2.93Å; Y162-T165 WeakPolarHBondContact O-CB 3.46Å; Y162-T165 WeakPolarHBondContact O-CG2 3.49Å; Y162-T165 PolarHBondContact O-N 3.47Å; Y162-T165 VanDerWaalsContact O-N 3.16Å; Y162-T165 PolarHBondContact O-OG1 3.22Å; H163-T165 VanDerWaalsContact C-N 3.29Å; H163-T165 PolarHBondContact O-N 2.86Å; T165-A178 VanDerWaalsContact CG2-O 3.23Å; T165-A178 WeakPolarHBondContact CG2-O 3.48Å | ||
| 166 | S | 86 | Confident | 81.4 | Confident | 32 Ų | 32 | 59.5 Ų | 59.5 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | trans | -115.5 | 171.6 | 170.3 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | E96 R97 E168 | E96-S166 WeakPolarHBondContact CB-O 3.31Å; E96-S166 WeakPolarHBondContact OE2-CB 3.47Å; E96-S166 PolarHBondContact OE2-N 3.49Å; E96-S166 PolarHBondContact OE2-OG 3.1Å; R97-S166 PolarHBondContact N-O 2.66Å; S166-E168 VanDerWaalsContact OG-CB 3.25Å; S166-E168 WeakPolarHBondContact OG-CB 3.27Å; S166-E168 WeakPolarHBondContact OG-CG 3.28Å; S166-E168 PolarHBondContact OG-N 3.25Å; S166-E168 VanDerWaalsContact OG-N 3.16Å | ||
| 167 | D | 85.5 | Confident | 80.3 | Confident | 103 Ų | 103 | 58.5 Ų | 58.5 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -87.6 | 16.2 | 168.5 | -65.9 | -47.1 | 0 | 0 | 0 | 111.4 | T95 R97 | T95-D167 HydrophobicContact CG2-CB 4.5Å; R97-D167 IonicContact CZ-OD1 3.59Å; R97-D167 IonicContact NE-OD1 2.69Å; R97-D167 IonicContact NH1-OD1 3.92Å; R97-D167 IonicContact NH1-OD2 3.89Å; R97-D167 PolarHBondContact NH1-OD2 3.02Å |
| 168 | E | 80.4 | Confident | 79.2 | Confident | 122 Ų | 122 | 58.9 Ų | 58.9 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | trans | -67.6 | 138.9 | 177.2 | -68.4 | -171.8 | 177.5 | 0 | 0 | 111.7 | T95 E96 S166 | T95-E168 VanDerWaalsContact CA-O 3.3Å; T95-E168 WeakPolarHBondContact CA-O 3.42Å; E96-E168 PolarHBondContact N-O 3.33Å; E96-E168 VanDerWaalsContact N-O 3.11Å; S166-E168 VanDerWaalsContact OG-CB 3.25Å; S166-E168 WeakPolarHBondContact OG-CB 3.27Å; S166-E168 WeakPolarHBondContact OG-CG 3.28Å; S166-E168 PolarHBondContact OG-N 3.25Å; S166-E168 VanDerWaalsContact OG-N 3.16Å | ||
| 169 | P | 74.4 | Confident | 78.4 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 62% | 0.623 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 130.4 | -179.8 | 29.2 | -33.7 | 0 | 0 | 0 | 111.6 | V93 F94 | V93-P169 HydrophobicContact CG1-CB 3.35Å; F94-P169 CarbonylContact O-C 3.49Å; F94-P169 WeakPolarHBondContact O-CA 3.37Å |
| 170 | I | 71.4 | Confident | 77.5 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 151.1 | 176 | 63.7 | 168.1 | 0 | 0 | 0 | 111.9 | F94 E96 C99 T177 | F94-I170 HydrophobicContact CB-CD1 4.23Å; F94-I170 HydrophobicContact CB-CG1 3.83Å; F94-I170 PolarHBondContact N-O 2.82Å; F94-I170 VanDerWaalsContact O-CG1 3.27Å; F94-I170 WeakPolarHBondContact O-CG1 3.28Å; F94-I170 PolarHBondContact O-N 3.4Å; E96-I170 HydrophobicContact CG-CG2 3.61Å; C99-I170 HydrophobicContact CB-CD1 3.6Å; I170-T177 VanDerWaalsContact CD1-O 3.31Å; I170-T177 WeakPolarHBondContact CD1-O 2.8Å |
| 171 | A | 61.6 | Low | 76.7 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 22% | 0.223 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -74.2 | -43.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L10 | L10-A171 HydrophobicContact CD1-CB 3.12Å; L10-A171 VanDerWaalsContact CD2-CA 3.45Å; L10-A171 HydrophobicContact CD2-CB 3.76Å; L10-A171 HydrophobicContact CG-CB 3.36Å |
| 172 | V | 65.5 | Low | 76.3 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 39% | 0.394 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -138.3 | 123.5 | -162.9 | 174.4 | 0 | 0 | 0 | 0 | 106.1 | S174 T177 | V172-S174 PolarHBondContact O-N 3.45Å; V172-T177 PolarHBondContact O-OG1 2.92Å |
| 173 | C | 74.9 | Confident | 75.7 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 9% | 0.088 | 31% | 0.307 | C | S | . | . | trans | -79.2 | 88.5 | 175.4 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | K78 F94 C99 R103 | K78-C173 WeakPolarHBondContact CE-O 3.3Å; K78-C173 PolarHBondContact NZ-O 3.03Å; F94-C173 HydrophobicContact CD2-CB 4.47Å; F94-C173 HydrophobicContact CG-CB 4.4Å; C99-C173 WeakPolarHBondContact CA-SG 3.31Å; C99-C173 HydrophobicContact CB-CB 3.78Å; C99-C173 WeakPolarHBondContact CB-SG 3.26Å; C99-C173 PolarHBondContact O-SG 2.96Å; C99-C173 VanDerWaalsContact SG-C 3.54Å; C99-C173 WeakPolarHBondContact SG-CA 3.35Å; C99-C173 WeakPolarHBondContact SG-CB 3.43Å; C99-C173 CovalentContact SG-SG 2.04Å; C99-C173 PolarHBondContact SG-SG 2.88Å; R103-C173 PolarHBondContact NH1-O 2.83Å | ||
| 174 | S | 71.1 | Confident | 75.1 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | trans | -112.2 | 172.5 | 175 | 83.4 | 0 | 0 | 0 | 0 | 111.5 | V172 I176 T177 A178 | V172-S174 PolarHBondContact O-N 3.45Å; S174-I176 VanDerWaalsContact C-N 3.3Å; S174-I176 PolarHBondContact OG-N 3.42Å; S174-T177 WeakPolarHBondContact CA-OG1 3.23Å; S174-T177 PolarHBondContact N-OG1 3.41Å; S174-T177 PolarHBondContact O-OG1 3.39Å; S174-T177 VanDerWaalsContact O-OG1 3.13Å; S174-T177 WeakPolarHBondContact OG-CG2 3.42Å; S174-T177 PolarHBondContact OG-N 2.79Å; S174-T177 PolarHBondContact OG-OG1 3.31Å; S174-A178 VanDerWaalsContact O-CB 3.28Å; S174-A178 WeakPolarHBondContact O-CB 3.32Å; S174-A178 PolarHBondContact O-N 3.48Å; S174-A178 VanDerWaalsContact O-N 3.15Å | ||
| 175 | I | 68.3 | Low | 74.8 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -67.4 | -35.6 | 174.8 | -170.2 | 166.5 | 0 | 0 | 0 | 111.2 | R103 T177 A178 | R103-I175 VanDerWaalsContact NH1-N 3.17Å; I175-T177 PolarHBondContact O-N 2.85Å; I175-A178 PolarHBondContact O-N 3.44Å |
| 176 | I | 67.2 | Low | 74.6 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 36% | 0.359 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -24.3 | -176.4 | -54.9 | 173.9 | 0 | 0 | 0 | 111.2 | S174 N181 I257 | S174-I176 VanDerWaalsContact C-N 3.3Å; S174-I176 PolarHBondContact OG-N 3.42Å; I176-N181 WeakPolarHBondContact CG2-OD1 3.42Å; I176-I257 HydrophobicContact CD1-CG1 3.88Å |
| 177 | T | 70.8 | Confident | 74.5 | Confident | 40 Ų | 40 | 51 Ų | 51 | 25% | 0.245 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -3.3 | -178.2 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | E96 I170 V172 S174 I175 S179 | E96-T177 WeakPolarHBondContact CG-O 3.32Å; I170-T177 VanDerWaalsContact CD1-O 3.31Å; I170-T177 WeakPolarHBondContact CD1-O 2.8Å; V172-T177 PolarHBondContact O-OG1 2.92Å; S174-T177 WeakPolarHBondContact CA-OG1 3.23Å; S174-T177 PolarHBondContact N-OG1 3.41Å; S174-T177 PolarHBondContact O-OG1 3.39Å; S174-T177 VanDerWaalsContact O-OG1 3.13Å; S174-T177 WeakPolarHBondContact OG-CG2 3.42Å; S174-T177 PolarHBondContact OG-N 2.79Å; S174-T177 PolarHBondContact OG-OG1 3.31Å; I175-T177 PolarHBondContact O-N 2.85Å; T177-S179 VanDerWaalsContact C-N 3.35Å |
| 178 | A | 68.3 | Low | 74.4 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -83 | -17.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T165 S174 I175 | T165-A178 VanDerWaalsContact CG2-O 3.23Å; T165-A178 WeakPolarHBondContact CG2-O 3.48Å; S174-A178 VanDerWaalsContact O-CB 3.28Å; S174-A178 WeakPolarHBondContact O-CB 3.32Å; S174-A178 PolarHBondContact O-N 3.48Å; S174-A178 VanDerWaalsContact O-N 3.15Å; I175-A178 PolarHBondContact O-N 3.44Å |
| 179 | S | 75.5 | Confident | 74.7 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -147.7 | 172.1 | 178.5 | 64.9 | 0 | 0 | 0 | 0 | 109.1 | L161 D164 T177 | L161-S179 WeakPolarHBondContact CD2-OG 3.35Å; D164-S179 CarbonylContact O-C 3.52Å; D164-S179 WeakPolarHBondContact O-CA 3.2Å; T177-S179 VanDerWaalsContact C-N 3.35Å |
| 180 | G | 73.1 | Confident | 75.4 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | trans | -48.4 | 142.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D164 D182 A183 A184 | D164-G180 PolarHBondContact O-N 2.95Å; G180-D182 PolarHBondContact O-N 3.14Å; G180-A183 PolarHBondContact O-N 2.77Å; G180-A184 PolarHBondContact O-N 3.39Å | ||
| 181 | N | 73.1 | Confident | 76.1 | Confident | 74 Ų | 74 | 45 Ų | 45 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.6 | -35.9 | -177.8 | -79.8 | -44 | 0 | 0 | 0 | 112.3 | I176 A184 V185 | I176-N181 WeakPolarHBondContact CG2-OD1 3.42Å; N181-A184 PolarHBondContact O-N 3.01Å; N181-V185 WeakPolarHBondContact O-CB 3.45Å; N181-V185 WeakPolarHBondContact O-CG2 3.36Å; N181-V185 PolarHBondContact O-N 2.99Å |
| 182 | D | 79.2 | Confident | 77.3 | Confident | 138 Ų | 138 | 46.8 Ų | 46.8 | 74% | 0.738 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67.6 | -47.7 | -175.5 | -64.6 | -23.4 | 0 | 0 | 0 | 111.2 | G180 A184 V185 E186 | G180-D182 PolarHBondContact O-N 3.14Å; D182-A184 PolarHBondContact O-N 3.16Å; D182-V185 PolarHBondContact O-N 3.47Å; D182-E186 WeakPolarHBondContact O-CB 3.5Å; D182-E186 PolarHBondContact O-N 3.37Å |
| 183 | A | 78.9 | Confident | 78.5 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D164 G180 V185 E186 L187 | D164-A183 HydrophobicContact CB-CB 4.05Å; D164-A183 WeakPolarHBondContact OD2-CB 3.19Å; G180-A183 PolarHBondContact O-N 2.77Å; A183-V185 VanDerWaalsContact C-N 3.31Å; A183-V185 PolarHBondContact O-N 3.33Å; A183-E186 PolarHBondContact O-N 3.21Å; A183-L187 WeakPolarHBondContact O-CB 3.36Å; A183-L187 PolarHBondContact O-N 3.46Å |
| 184 | A | 76.6 | Confident | 79.4 | Confident | 8 Ų | 8 | 49 Ų | 49 | 7% | 0.066 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G180 N181 D182 L188 | G180-A184 PolarHBondContact O-N 3.39Å; N181-A184 PolarHBondContact O-N 3.01Å; D182-A184 PolarHBondContact O-N 3.16Å; A184-L188 WeakPolarHBondContact O-CB 3.43Å; A184-L188 PolarHBondContact O-N 3.34Å; A184-L188 VanDerWaalsContact O-N 3.13Å |
| 185 | V | 80.9 | Confident | 80.3 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72 | -43.7 | 177.1 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | N181 D182 A183 L187 L188 I189 | N181-V185 WeakPolarHBondContact O-CB 3.45Å; N181-V185 WeakPolarHBondContact O-CG2 3.36Å; N181-V185 PolarHBondContact O-N 2.99Å; D182-V185 PolarHBondContact O-N 3.47Å; A183-V185 VanDerWaalsContact C-N 3.31Å; A183-V185 PolarHBondContact O-N 3.33Å; V185-L187 VanDerWaalsContact C-N 3.33Å; V185-L187 PolarHBondContact O-N 2.95Å; V185-L188 PolarHBondContact O-N 3.46Å; V185-I189 HydrophobicContact CG1-CD1 3.85Å; V185-I189 HydrophobicContact CG1-CG1 4.43Å; V185-I189 VanDerWaalsContact O-CG1 3.3Å; V185-I189 WeakPolarHBondContact O-CG1 3.29Å; V185-I189 PolarHBondContact O-N 3.2Å |
| 186 | E | 84 | Confident | 81.3 | Confident | 91 Ų | 91 | 50 Ų | 50 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.5 | -49.8 | 175.8 | -175.3 | -179.5 | 152.5 | 0 | 0 | 110.7 | R160 D182 A183 L188 I189 E190 | R160-E186 IonicContact CZ-OE1 2.81Å; R160-E186 IonicContact NH1-OE1 3.38Å; R160-E186 PolarHBondContact NH1-OE1 3Å; D182-E186 WeakPolarHBondContact O-CB 3.5Å; D182-E186 PolarHBondContact O-N 3.37Å; A183-E186 PolarHBondContact O-N 3.21Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 2.98Å; E186-I189 WeakPolarHBondContact O-CB 3.48Å; E186-I189 PolarHBondContact O-N 2.95Å; E186-I189 VanDerWaalsContact O-N 3.13Å; E186-E190 WeakPolarHBondContact O-CG 3.28Å; E186-E190 PolarHBondContact O-N 2.92Å |
| 187 | L | 84 | Confident | 82.6 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 179.1 | -170.2 | 65.4 | 0 | 0 | 0 | 112.6 | A157 L161 A183 V185 I189 E190 Y191 | A157-L187 HydrophobicContact CB-CD1 3.76Å; L161-L187 HydrophobicContact CD1-CD2 3.56Å; L161-L187 HydrophobicContact CD2-CD2 3.94Å; L161-L187 HydrophobicContact CG-CD2 3.9Å; A183-L187 WeakPolarHBondContact O-CB 3.36Å; A183-L187 PolarHBondContact O-N 3.46Å; V185-L187 VanDerWaalsContact C-N 3.33Å; V185-L187 PolarHBondContact O-N 2.95Å; L187-I189 VanDerWaalsContact C-N 3.32Å; L187-I189 PolarHBondContact O-N 3.33Å; L187-E190 PolarHBondContact O-N 2.91Å; L187-Y191 HydrophobicContact CD1-CD1 4.45Å; L187-Y191 HydrophobicContact CD1-CE1 3.61Å; L187-Y191 HydrophobicContact CD1-CE2 4.45Å; L187-Y191 WeakPolarHBondContact CD1-OH 3.27Å; L187-Y191 HydrophobicContact CD2-CE2 4.13Å; L187-Y191 VanDerWaalsContact CD2-OH 3.23Å; L187-Y191 WeakPolarHBondContact CD2-OH 3.48Å; L187-Y191 HydrophobicContact CG-CD2 4.5Å; L187-Y191 HydrophobicContact CG-CE1 3.87Å; L187-Y191 HydrophobicContact CG-CE2 3.79Å; L187-Y191 VanDerWaalsContact CG-CZ 3.41Å; L187-Y191 VanDerWaalsContact CG-OH 3.32Å; L187-Y191 WeakPolarHBondContact CG-OH 3.46Å; L187-Y191 VanDerWaalsContact O-CG 3.27Å; L187-Y191 PolarHBondContact O-N 3.28Å |
| 188 | L | 83.3 | Confident | 83.6 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 176.1 | -174.1 | 62.3 | 0 | 0 | 0 | 111.8 | A184 V185 E186 N192 M249 | A184-L188 WeakPolarHBondContact O-CB 3.43Å; A184-L188 PolarHBondContact O-N 3.34Å; A184-L188 VanDerWaalsContact O-N 3.13Å; V185-L188 PolarHBondContact O-N 3.46Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 2.98Å; L188-N192 WeakPolarHBondContact O-CB 3.35Å; L188-N192 PolarHBondContact O-N 2.87Å; L188-N192 PolarHBondContact O-ND2 2.92Å; L188-M249 HydrophobicContact CD1-CE 4.18Å |
| 189 | I | 87 | Confident | 84.7 | Confident | 101 Ų | 101 | 48 Ų | 48 | 52% | 0.518 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 174.1 | -68.9 | 165.8 | 0 | 0 | 0 | 110.3 | V185 E186 L187 N192 T193 | V185-I189 HydrophobicContact CG1-CD1 3.85Å; V185-I189 HydrophobicContact CG1-CG1 4.43Å; V185-I189 VanDerWaalsContact O-CG1 3.3Å; V185-I189 WeakPolarHBondContact O-CG1 3.29Å; V185-I189 PolarHBondContact O-N 3.2Å; E186-I189 WeakPolarHBondContact O-CB 3.48Å; E186-I189 PolarHBondContact O-N 2.95Å; E186-I189 VanDerWaalsContact O-N 3.13Å; L187-I189 VanDerWaalsContact C-N 3.32Å; L187-I189 PolarHBondContact O-N 3.33Å; I189-N192 PolarHBondContact O-N 3.43Å; I189-T193 WeakPolarHBondContact O-CB 3.39Å; I189-T193 PolarHBondContact O-N 3.28Å; I189-T193 PolarHBondContact O-OG1 3.43Å |
| 190 | E | 88.5 | Confident | 85.4 | Confident | 49 Ų | 49 | 53 Ų | 53 | 23% | 0.229 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.3 | -50.1 | 175.6 | -71.8 | 178.7 | 171.1 | 0 | 0 | 111.2 | R160 E186 L187 N192 T193 L194 | R160-E190 IonicContact CZ-OE1 3.15Å; R160-E190 IonicContact CZ-OE2 2.76Å; R160-E190 IonicContact NH1-OE1 3.82Å; R160-E190 PolarHBondContact NH1-OE1 3.31Å; R160-E190 IonicContact NH1-OE2 3.47Å; R160-E190 IonicContact NH2-OE1 3.6Å; R160-E190 PolarHBondContact NH2-OE1 3.42Å; R160-E190 IonicContact NH2-OE2 3.75Å; R160-E190 PolarHBondContact NH2-OE2 2.97Å; E186-E190 WeakPolarHBondContact O-CG 3.28Å; E186-E190 PolarHBondContact O-N 2.92Å; L187-E190 PolarHBondContact O-N 2.91Å; E190-N192 PolarHBondContact O-N 3.48Å; E190-T193 WeakPolarHBondContact O-CB 3.47Å; E190-T193 PolarHBondContact O-N 2.94Å; E190-L194 PolarHBondContact O-N 2.95Å |
| 191 | Y | 86.5 | Confident | 86.4 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60 | -48.8 | 178.5 | -67 | -13.6 | 0 | 0 | 0 | 113 | T110 E111 L187 T193 L194 I195 M249 | T110-Y191 HydrophobicContact CG2-CE2 4.4Å; E111-Y191 VanDerWaalsContact CD-OH 3.26Å; E111-Y191 HydrophobicContact CG-CE1 3.67Å; E111-Y191 WeakPolarHBondContact CG-OH 3.43Å; E111-Y191 PolarHBondContact OE1-OH 3.14Å; L187-Y191 HydrophobicContact CD1-CD1 4.45Å; L187-Y191 HydrophobicContact CD1-CE1 3.61Å; L187-Y191 HydrophobicContact CD1-CE2 4.45Å; L187-Y191 WeakPolarHBondContact CD1-OH 3.27Å; L187-Y191 HydrophobicContact CD2-CE2 4.13Å; L187-Y191 VanDerWaalsContact CD2-OH 3.23Å; L187-Y191 WeakPolarHBondContact CD2-OH 3.48Å; L187-Y191 HydrophobicContact CG-CD2 4.5Å; L187-Y191 HydrophobicContact CG-CE1 3.87Å; L187-Y191 HydrophobicContact CG-CE2 3.79Å; L187-Y191 VanDerWaalsContact CG-CZ 3.41Å; L187-Y191 VanDerWaalsContact CG-OH 3.32Å; L187-Y191 WeakPolarHBondContact CG-OH 3.46Å; L187-Y191 VanDerWaalsContact O-CG 3.27Å; L187-Y191 PolarHBondContact O-N 3.28Å; Y191-T193 PolarHBondContact O-N 2.97Å; Y191-L194 PolarHBondContact O-N 2.8Å; Y191-I195 WeakPolarHBondContact O-CB 3.49Å; Y191-I195 WeakPolarHBondContact O-CD1 3.45Å; Y191-I195 WeakPolarHBondContact O-CG1 3.38Å; Y191-I195 PolarHBondContact O-N 3.46Å; Y191-M249 HydrophobicContact CD2-CE 4.13Å |
| 192 | N | 87.9 | Confident | 87.2 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 34% | 0.342 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 180 | -75.2 | -37 | 0 | 0 | 0 | 110.7 | L188 I189 E190 V196 | L188-N192 WeakPolarHBondContact O-CB 3.35Å; L188-N192 PolarHBondContact O-N 2.87Å; L188-N192 PolarHBondContact O-ND2 2.92Å; I189-N192 PolarHBondContact O-N 3.43Å; E190-N192 PolarHBondContact O-N 3.48Å; N192-V196 WeakPolarHBondContact O-CB 3.45Å; N192-V196 WeakPolarHBondContact O-CG2 3.38Å; N192-V196 PolarHBondContact O-N 2.84Å |
| 193 | T | 90.5 | Very high | 87.7 | Confident | 89 Ų | 89 | 46.6 Ų | 46.6 | 55% | 0.546 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.6 | -47.4 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | I189 E190 Y191 V196 A197 | I189-T193 WeakPolarHBondContact O-CB 3.39Å; I189-T193 PolarHBondContact O-N 3.28Å; I189-T193 PolarHBondContact O-OG1 3.43Å; E190-T193 WeakPolarHBondContact O-CB 3.47Å; E190-T193 PolarHBondContact O-N 2.94Å; Y191-T193 PolarHBondContact O-N 2.97Å; T193-V196 PolarHBondContact O-N 2.89Å; T193-A197 WeakPolarHBondContact O-CB 3.39Å; T193-A197 PolarHBondContact O-N 2.71Å |
| 194 | L | 92.6 | Very high | 88.3 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 18% | 0.183 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 178 | -72 | 174.3 | 0 | 0 | 0 | 112.6 | V114 D115 F118 E190 Y191 A197 T198 | V114-L194 HydrophobicContact CG1-CB 3.44Å; V114-L194 VanDerWaalsContact CG1-CB 3.44Å; V114-L194 HydrophobicContact CG1-CD1 3.8Å; V114-L194 HydrophobicContact CG1-CG 4.28Å; D115-L194 WeakPolarHBondContact OD1-CD1 3.17Å; F118-L194 HydrophobicContact CD1-CD2 4.25Å; F118-L194 HydrophobicContact CD2-CD2 4.29Å; F118-L194 HydrophobicContact CG-CD2 4.13Å; E190-L194 PolarHBondContact O-N 2.95Å; Y191-L194 PolarHBondContact O-N 2.8Å; L194-A197 PolarHBondContact O-N 3.25Å; L194-T198 WeakPolarHBondContact O-CB 3.21Å; L194-T198 PolarHBondContact O-N 3.32Å; L194-T198 PolarHBondContact O-OG1 2.83Å |
| 195 | I | 90.2 | Very high | 88.9 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -49.6 | 176 | -72.6 | 168.3 | 0 | 0 | 0 | 110.9 | V114 Y191 A197 T198 V199 Y245 V246 M249 | V114-I195 HydrophobicContact CG1-CG1 4.2Å; V114-I195 HydrophobicContact CG2-CD1 4.12Å; V114-I195 HydrophobicContact CG2-CG1 4.07Å; Y191-I195 WeakPolarHBondContact O-CB 3.49Å; Y191-I195 WeakPolarHBondContact O-CD1 3.45Å; Y191-I195 WeakPolarHBondContact O-CG1 3.38Å; Y191-I195 PolarHBondContact O-N 3.46Å; I195-A197 VanDerWaalsContact C-N 3.31Å; I195-A197 PolarHBondContact O-N 2.93Å; I195-T198 WeakPolarHBondContact O-CB 3.43Å; I195-T198 PolarHBondContact O-N 3.41Å; I195-T198 VanDerWaalsContact O-N 3.14Å; I195-V199 WeakPolarHBondContact O-CG2 3.27Å; I195-V199 PolarHBondContact O-N 3.21Å; I195-Y245 HydrophobicContact CD1-CD1 4.44Å; I195-Y245 HydrophobicContact CD1-CE1 3.69Å; I195-Y245 HydrophobicContact CG1-CE1 4.24Å; I195-V246 HydrophobicContact CG2-CG2 3.22Å; I195-M249 HydrophobicContact CD1-SD 4Å |
| 196 | V | 90.1 | Very high | 89.2 | Confident | 86 Ų | 86 | 47 Ų | 47 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 178.9 | 168.5 | 0 | 0 | 0 | 0 | 109.8 | N192 T193 T198 V199 L200 | N192-V196 WeakPolarHBondContact O-CB 3.45Å; N192-V196 WeakPolarHBondContact O-CG2 3.38Å; N192-V196 PolarHBondContact O-N 2.84Å; T193-V196 PolarHBondContact O-N 2.89Å; V196-T198 VanDerWaalsContact C-N 3.33Å; V196-T198 PolarHBondContact O-N 2.92Å; V196-V199 PolarHBondContact O-N 3.38Å; V196-L200 HydrophobicContact CG1-CD1 3.95Å; V196-L200 HydrophobicContact CG1-CG 4.39Å; V196-L200 WeakPolarHBondContact O-CB 3.37Å; V196-L200 VanDerWaalsContact O-CG 3.29Å; V196-L200 WeakPolarHBondContact O-CG 3.45Å; V196-L200 PolarHBondContact O-N 3.49Å |
| 197 | A | 93.6 | Very high | 89.5 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 25% | 0.248 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F118 T193 L194 I195 V199 L200 I201 | F118-A197 HydrophobicContact CD2-CB 4.25Å; F118-A197 HydrophobicContact CE2-CB 3.91Å; T193-A197 WeakPolarHBondContact O-CB 3.39Å; T193-A197 PolarHBondContact O-N 2.71Å; L194-A197 PolarHBondContact O-N 3.25Å; I195-A197 VanDerWaalsContact C-N 3.31Å; I195-A197 PolarHBondContact O-N 2.93Å; A197-V199 PolarHBondContact O-N 3.43Å; A197-L200 PolarHBondContact O-N 3.17Å; A197-I201 WeakPolarHBondContact O-CB 3.19Å; A197-I201 WeakPolarHBondContact O-CD1 3.26Å; A197-I201 WeakPolarHBondContact O-CG1 3.4Å; A197-I201 PolarHBondContact O-N 2.98Å |
| 198 | T | 92.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 177.8 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | F118 A121 L194 I195 V196 I201 Y202 V242 | F118-T198 VanDerWaalsContact CA-OG1 3.32Å; F118-T198 WeakPolarHBondContact CA-OG1 3.4Å; F118-T198 WeakPolarHBondContact CB-OG1 3.43Å; A121-T198 HydrophobicContact CB-CG2 4.1Å; L194-T198 WeakPolarHBondContact O-CB 3.21Å; L194-T198 PolarHBondContact O-N 3.32Å; L194-T198 PolarHBondContact O-OG1 2.83Å; I195-T198 WeakPolarHBondContact O-CB 3.43Å; I195-T198 PolarHBondContact O-N 3.41Å; I195-T198 VanDerWaalsContact O-N 3.14Å; V196-T198 VanDerWaalsContact C-N 3.33Å; V196-T198 PolarHBondContact O-N 2.92Å; T198-I201 PolarHBondContact O-N 3.26Å; T198-Y202 HydrophobicContact CG2-CD2 3.88Å; T198-Y202 HydrophobicContact CG2-CE2 3.58Å; T198-Y202 WeakPolarHBondContact O-CD2 3.16Å; T198-Y202 PolarHBondContact O-N 3.5Å; T198-V242 HydrophobicContact CG2-CG1 4.25Å; T198-V242 HydrophobicContact CG2-CG2 4.06Å |
| 199 | V | 89.9 | Confident | 89.9 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 178.7 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | I195 V196 A197 Y202 T203 V242 | I195-V199 WeakPolarHBondContact O-CG2 3.27Å; I195-V199 PolarHBondContact O-N 3.21Å; V196-V199 PolarHBondContact O-N 3.38Å; A197-V199 PolarHBondContact O-N 3.43Å; V199-Y202 PolarHBondContact O-N 3.01Å; V199-T203 WeakPolarHBondContact O-CB 3.35Å; V199-T203 PolarHBondContact O-N 3.37Å; V199-T203 PolarHBondContact O-OG1 3.33Å; V199-V242 HydrophobicContact CG2-CG1 3.78Å |
| 200 | L | 92.2 | Very high | 89.9 | Confident | 108 Ų | 108 | 49 Ų | 49 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 175.9 | -70.7 | 174.9 | 0 | 0 | 0 | 111.5 | V196 A197 Y202 T203 T204 | V196-L200 HydrophobicContact CG1-CD1 3.95Å; V196-L200 HydrophobicContact CG1-CG 4.39Å; V196-L200 WeakPolarHBondContact O-CB 3.37Å; V196-L200 VanDerWaalsContact O-CG 3.29Å; V196-L200 WeakPolarHBondContact O-CG 3.45Å; V196-L200 PolarHBondContact O-N 3.49Å; A197-L200 PolarHBondContact O-N 3.17Å; L200-Y202 PolarHBondContact O-N 3.23Å; L200-T203 PolarHBondContact O-N 3.35Å; L200-T204 WeakPolarHBondContact O-CB 3.47Å; L200-T204 VanDerWaalsContact O-CG2 3.3Å; L200-T204 WeakPolarHBondContact O-CG2 3.47Å; L200-T204 PolarHBondContact O-N 2.9Å; L200-T204 PolarHBondContact O-OG1 2.88Å |
| 201 | I | 93 | Very high | 89.9 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 175.8 | -69.6 | 164 | 0 | 0 | 0 | 110.5 | F118 A121 M122 C125 A197 T198 T203 T204 L205 | F118-I201 HydrophobicContact CD2-CD1 4.27Å; F118-I201 HydrophobicContact CE2-CD1 3.82Å; A121-I201 HydrophobicContact CB-CB 4.06Å; A121-I201 HydrophobicContact CB-CD1 4.37Å; A121-I201 HydrophobicContact CB-CG2 3.65Å; M122-I201 HydrophobicContact CG-CD1 4.32Å; M122-I201 HydrophobicContact SD-CD1 3.83Å; C125-I201 WeakPolarHBondContact SG-CG2 3.48Å; A197-I201 WeakPolarHBondContact O-CB 3.19Å; A197-I201 WeakPolarHBondContact O-CD1 3.26Å; A197-I201 WeakPolarHBondContact O-CG1 3.4Å; A197-I201 PolarHBondContact O-N 2.98Å; T198-I201 PolarHBondContact O-N 3.26Å; I201-T203 PolarHBondContact O-N 2.96Å; I201-T204 PolarHBondContact O-N 2.87Å; I201-T204 PolarHBondContact O-OG1 3.46Å; I201-L205 HydrophobicContact CG2-CD1 4.11Å; I201-L205 HydrophobicContact CG2-CG 4.42Å; I201-L205 WeakPolarHBondContact O-CB 3.48Å; I201-L205 VanDerWaalsContact O-CG 3.3Å; I201-L205 WeakPolarHBondContact O-CG 3.29Å; I201-L205 PolarHBondContact O-N 2.92Å |
| 202 | Y | 89.9 | Confident | 89.8 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 178.9 | -77 | -43.1 | 0 | 0 | 0 | 113.3 | T120 A121 T198 V199 L200 L205 I206 L238 T239 V242 | T120-Y202 WeakPolarHBondContact CG2-OH 3.38Å; A121-Y202 HydrophobicContact CB-CD1 4.25Å; A121-Y202 HydrophobicContact CB-CE1 3.78Å; A121-Y202 HydrophobicContact CB-CE2 4.11Å; T198-Y202 HydrophobicContact CG2-CD2 3.88Å; T198-Y202 HydrophobicContact CG2-CE2 3.58Å; T198-Y202 WeakPolarHBondContact O-CD2 3.16Å; T198-Y202 PolarHBondContact O-N 3.5Å; V199-Y202 PolarHBondContact O-N 3.01Å; L200-Y202 PolarHBondContact O-N 3.23Å; Y202-L205 PolarHBondContact O-N 2.95Å; Y202-I206 WeakPolarHBondContact O-CB 3.34Å; Y202-I206 VanDerWaalsContact O-CG1 3.26Å; Y202-I206 WeakPolarHBondContact O-CG1 3.47Å; Y202-I206 PolarHBondContact O-N 3.43Å; Y202-L238 HydrophobicContact CE1-CB 4.05Å; Y202-L238 HydrophobicContact CE1-CD1 4.2Å; Y202-L238 HydrophobicContact CE2-CB 4.2Å; Y202-T239 VanDerWaalsContact CB-OG1 3.31Å; Y202-T239 WeakPolarHBondContact CB-OG1 3.41Å; Y202-V242 HydrophobicContact CD2-CG2 4.45Å; Y202-V242 HydrophobicContact CE2-CG2 3.87Å |
| 203 | T | 88.9 | Confident | 89.5 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 179.4 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | V199 L200 I201 I206 A207 | V199-T203 WeakPolarHBondContact O-CB 3.35Å; V199-T203 PolarHBondContact O-N 3.37Å; V199-T203 PolarHBondContact O-OG1 3.33Å; L200-T203 PolarHBondContact O-N 3.35Å; I201-T203 PolarHBondContact O-N 2.96Å; T203-I206 PolarHBondContact O-N 2.74Å; T203-A207 WeakPolarHBondContact O-CB 3.39Å; T203-A207 PolarHBondContact O-N 3.23Å |
| 204 | T | 91.6 | Very high | 89.2 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 52% | 0.521 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.1 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | L200 I201 A207 W208 | L200-T204 WeakPolarHBondContact O-CB 3.47Å; L200-T204 VanDerWaalsContact O-CG2 3.3Å; L200-T204 WeakPolarHBondContact O-CG2 3.47Å; L200-T204 PolarHBondContact O-N 2.9Å; L200-T204 PolarHBondContact O-OG1 2.88Å; I201-T204 PolarHBondContact O-N 2.87Å; I201-T204 PolarHBondContact O-OG1 3.46Å; T204-A207 PolarHBondContact O-N 2.84Å; T204-W208 VanDerWaalsContact O-CB 3.3Å; T204-W208 WeakPolarHBondContact O-CB 3.23Å; T204-W208 PolarHBondContact O-N 3.49Å |
| 205 | L | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | 174.8 | -75.7 | -177.4 | 0 | 0 | 0 | 113.1 | R124 I128 F129 I201 Y202 W208 I209 M235 | R124-L205 HydrophobicContact CB-CD1 3.92Å; I128-L205 HydrophobicContact CB-CD2 4.5Å; I128-L205 HydrophobicContact CD1-CD1 4.5Å; I128-L205 HydrophobicContact CD1-CD2 3.73Å; F129-L205 HydrophobicContact CD2-CD2 4.47Å; F129-L205 HydrophobicContact CE2-CD2 3.67Å; F129-L205 HydrophobicContact CZ-CD2 4.29Å; I201-L205 HydrophobicContact CG2-CD1 4.11Å; I201-L205 HydrophobicContact CG2-CG 4.42Å; I201-L205 WeakPolarHBondContact O-CB 3.48Å; I201-L205 VanDerWaalsContact O-CG 3.3Å; I201-L205 WeakPolarHBondContact O-CG 3.29Å; I201-L205 PolarHBondContact O-N 2.92Å; Y202-L205 PolarHBondContact O-N 2.95Å; L205-W208 PolarHBondContact O-N 3.37Å; L205-I209 WeakPolarHBondContact O-CB 3.45Å; L205-I209 WeakPolarHBondContact O-CD1 3.45Å; L205-I209 WeakPolarHBondContact O-CG1 3.4Å; L205-I209 PolarHBondContact O-N 3.46Å; L205-M235 HydrophobicContact CD1-CE 4.4Å |
| 206 | I | 88.2 | Confident | 88.2 | Confident | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.108 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 177.7 | -72.1 | 166.3 | 0 | 0 | 0 | 110.4 | Y202 T203 W208 I209 K210 M235 L236 T239 | Y202-I206 WeakPolarHBondContact O-CB 3.34Å; Y202-I206 VanDerWaalsContact O-CG1 3.26Å; Y202-I206 WeakPolarHBondContact O-CG1 3.47Å; Y202-I206 PolarHBondContact O-N 3.43Å; T203-I206 PolarHBondContact O-N 2.74Å; I206-W208 VanDerWaalsContact C-N 3.35Å; I206-I209 PolarHBondContact O-N 3.07Å; I206-K210 HydrophobicContact CG2-CD 4.31Å; I206-K210 WeakPolarHBondContact O-CB 3.37Å; I206-K210 WeakPolarHBondContact O-CG 3.32Å; I206-K210 PolarHBondContact O-N 2.97Å; I206-M235 HydrophobicContact CG1-CB 4.02Å; I206-L236 HydrophobicContact CD1-CD1 4.15Å; I206-T239 HydrophobicContact CD1-CG2 4.37Å; I206-T239 VanDerWaalsContact CD1-OG1 3.27Å; I206-T239 WeakPolarHBondContact CD1-OG1 3.44Å |
| 207 | A | 90.5 | Very high | 87.6 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T203 T204 K210 W211 | T203-A207 WeakPolarHBondContact O-CB 3.39Å; T203-A207 PolarHBondContact O-N 3.23Å; T204-A207 PolarHBondContact O-N 2.84Å; A207-K210 PolarHBondContact O-N 3.04Å; A207-W211 WeakPolarHBondContact O-CB 3.18Å; A207-W211 PolarHBondContact O-N 3.31Å |
| 208 | W | 89.9 | Confident | 86.8 | Confident | 106 Ų | 106 | 68.7 Ų | 68.7 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 176.8 | -177.7 | -92.6 | 0 | 0 | 0 | 112.5 | F129 T204 L205 I206 K210 W211 S212 | F129-W208 HydrophobicContact CD1-CZ2 4.42Å; F129-W208 AromaticContact CE1-CD2 3.71Å; F129-W208 HydrophobicContact CE1-CD2 3.71Å; F129-W208 AromaticContact CE1-CE2 3.5Å; F129-W208 HydrophobicContact CE1-CE3 4.14Å; F129-W208 HydrophobicContact CE1-CG 4.12Å; F129-W208 HydrophobicContact CE1-CH2 4.2Å; F129-W208 AromaticContact CE1-CZ2 3.78Å; F129-W208 HydrophobicContact CE1-CZ2 3.78Å; F129-W208 HydrophobicContact CE1-CZ3 4.36Å; F129-W208 AromaticContact CE1-NE1 3.76Å; F129-W208 AromaticContact CZ-CD2 3.98Å; F129-W208 HydrophobicContact CZ-CD2 3.98Å; F129-W208 HydrophobicContact CZ-CE3 4.42Å; F129-W208 HydrophobicContact CZ-CG 4.02Å; T204-W208 VanDerWaalsContact O-CB 3.3Å; T204-W208 WeakPolarHBondContact O-CB 3.23Å; T204-W208 PolarHBondContact O-N 3.49Å; L205-W208 PolarHBondContact O-N 3.37Å; I206-W208 VanDerWaalsContact C-N 3.35Å; W208-K210 PolarHBondContact O-N 3.13Å; W208-W211 HydrophobicContact CE3-CE3 4.36Å; W208-W211 HydrophobicContact CE3-CZ3 4.5Å; W208-W211 HydrophobicContact CH2-CZ3 4.07Å; W208-W211 HydrophobicContact CZ2-CZ3 4.5Å; W208-W211 HydrophobicContact CZ3-CE3 4.38Å; W208-W211 HydrophobicContact CZ3-CZ3 4.06Å; W208-W211 PolarHBondContact O-N 3.45Å; W208-S212 VanDerWaalsContact O-CB 3.25Å; W208-S212 WeakPolarHBondContact O-CB 3.38Å; W208-S212 PolarHBondContact O-N 3.03Å |
| 209 | I | 85.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 178.8 | -69.2 | 164.4 | 0 | 0 | 0 | 110.6 | I128 L205 I206 S212 I213 Y228 M235 | I128-I209 HydrophobicContact CD1-CD1 3.87Å; I128-I209 HydrophobicContact CD1-CG1 4.18Å; L205-I209 WeakPolarHBondContact O-CB 3.45Å; L205-I209 WeakPolarHBondContact O-CD1 3.45Å; L205-I209 WeakPolarHBondContact O-CG1 3.4Å; L205-I209 PolarHBondContact O-N 3.46Å; I206-I209 PolarHBondContact O-N 3.07Å; I209-S212 WeakPolarHBondContact O-CB 3.47Å; I209-S212 PolarHBondContact O-N 3.28Å; I209-I213 HydrophobicContact CG2-CD1 3.82Å; I209-I213 HydrophobicContact CG2-CG1 4.36Å; I209-I213 VanDerWaalsContact O-CG1 3.25Å; I209-I213 WeakPolarHBondContact O-CG1 3.48Å; I209-I213 PolarHBondContact O-N 2.87Å; I209-Y228 HydrophobicContact CG2-CD1 4.23Å; I209-Y228 WeakPolarHBondContact CG2-O 3.23Å; I209-M235 HydrophobicContact CD1-CE 4.41Å; I209-M235 HydrophobicContact CD1-CG 3.75Å |
| 210 | K | 87.6 | Confident | 84.7 | Confident | 133 Ų | 133 | 77.7 Ų | 77.7 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 176.8 | -77.7 | -176.4 | 175.1 | -177.4 | 0 | 111.8 | I206 A207 W208 S212 I213 Y214 | I206-K210 HydrophobicContact CG2-CD 4.31Å; I206-K210 WeakPolarHBondContact O-CB 3.37Å; I206-K210 WeakPolarHBondContact O-CG 3.32Å; I206-K210 PolarHBondContact O-N 2.97Å; A207-K210 PolarHBondContact O-N 3.04Å; W208-K210 PolarHBondContact O-N 3.13Å; K210-S212 VanDerWaalsContact C-N 3.31Å; K210-S212 PolarHBondContact O-N 3.47Å; K210-I213 PolarHBondContact O-N 3.27Å; K210-Y214 PolarHBondContact O-N 3.4Å |
| 211 | W | 88.5 | Confident | 83.7 | Confident | 144 Ų | 144 | 79.4 Ų | 79.4 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 175.4 | -177.1 | 68.9 | 0 | 0 | 0 | 111.8 | A207 W208 Y214 K215 | A207-W211 WeakPolarHBondContact O-CB 3.18Å; A207-W211 PolarHBondContact O-N 3.31Å; W208-W211 HydrophobicContact CE3-CE3 4.36Å; W208-W211 HydrophobicContact CE3-CZ3 4.5Å; W208-W211 HydrophobicContact CH2-CZ3 4.07Å; W208-W211 HydrophobicContact CZ2-CZ3 4.5Å; W208-W211 HydrophobicContact CZ3-CE3 4.38Å; W208-W211 HydrophobicContact CZ3-CZ3 4.06Å; W208-W211 PolarHBondContact O-N 3.45Å; W211-Y214 PolarHBondContact O-N 3.45Å; W211-K215 PolarHBondContact O-N 2.83Å |
| 212 | S | 83.7 | Confident | 82.7 | Confident | 12 Ų | 12 | 87 Ų | 87 | 8% | 0.084 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 176 | -169.8 | 0 | 0 | 0 | 0 | 112.4 | W208 I209 K210 K215 F216 | W208-S212 VanDerWaalsContact O-CB 3.25Å; W208-S212 WeakPolarHBondContact O-CB 3.38Å; W208-S212 PolarHBondContact O-N 3.03Å; I209-S212 WeakPolarHBondContact O-CB 3.47Å; I209-S212 PolarHBondContact O-N 3.28Å; K210-S212 VanDerWaalsContact C-N 3.31Å; K210-S212 PolarHBondContact O-N 3.47Å; S212-K215 PolarHBondContact O-N 3.4Å; S212-F216 WeakPolarHBondContact O-CD2 3.3Å; S212-F216 PolarHBondContact O-N 3.2Å; S212-F216 WeakPolarHBondContact OG-CE2 3.36Å |
| 213 | I | 82.2 | Confident | 81.9 | Confident | 38 Ų | 38 | 91.4 Ų | 91.4 | 20% | 0.195 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 173.5 | -71.1 | 164.8 | 0 | 0 | 0 | 110.6 | I209 K210 K215 F216 S217 V225 Y228 | I209-I213 HydrophobicContact CG2-CD1 3.82Å; I209-I213 HydrophobicContact CG2-CG1 4.36Å; I209-I213 VanDerWaalsContact O-CG1 3.25Å; I209-I213 WeakPolarHBondContact O-CG1 3.48Å; I209-I213 PolarHBondContact O-N 2.87Å; K210-I213 PolarHBondContact O-N 3.27Å; I213-K215 VanDerWaalsContact C-N 3.31Å; I213-K215 PolarHBondContact O-N 2.87Å; I213-F216 PolarHBondContact O-N 2.85Å; I213-S217 WeakPolarHBondContact O-CB 3.45Å; I213-S217 PolarHBondContact O-N 3.18Å; I213-V225 HydrophobicContact CG2-CG1 4.24Å; I213-Y228 VanDerWaalsContact CG1-CB 3.49Å; I213-Y228 HydrophobicContact CG1-CG 4.44Å |
| 214 | Y | 84.6 | Confident | 81.2 | Confident | 148 Ų | 148 | 89.3 Ų | 89.3 | 58% | 0.58 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.4 | -44.4 | 178 | 178.9 | -99.5 | 0 | 0 | 0 | 111.4 | K210 W211 | K210-Y214 PolarHBondContact O-N 3.4Å; W211-Y214 PolarHBondContact O-N 3.45Å |
| 215 | K | 83.2 | Confident | 80.5 | Confident | 122 Ų | 122 | 86.7 Ų | 86.7 | 53% | 0.53 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 176.3 | -171.8 | 176.1 | -178.7 | 175.8 | 0 | 112.5 | W211 S212 I213 R218 T219 | W211-K215 PolarHBondContact O-N 2.83Å; S212-K215 PolarHBondContact O-N 3.4Å; I213-K215 VanDerWaalsContact C-N 3.31Å; I213-K215 PolarHBondContact O-N 2.87Å; K215-R218 PolarHBondContact O-N 3.43Å; K215-T219 PolarHBondContact O-OG1 2.88Å |
| 216 | F | 78.4 | Confident | 79.9 | Confident | 44 Ų | 44 | 88.6 Ų | 88.6 | 19% | 0.193 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -75 | -28.1 | -178 | -70.7 | -54.7 | 0 | 0 | 0 | 114.2 | S212 I213 R218 T219 T224 V225 Y228 | S212-F216 WeakPolarHBondContact O-CD2 3.3Å; S212-F216 PolarHBondContact O-N 3.2Å; S212-F216 WeakPolarHBondContact OG-CE2 3.36Å; I213-F216 PolarHBondContact O-N 2.85Å; F216-R218 PolarHBondContact O-N 3.03Å; F216-T219 PolarHBondContact O-N 3.42Å; F216-T224 HydrophobicContact CD1-CG2 4.47Å; F216-T224 HydrophobicContact CD2-CG2 4.03Å; F216-T224 HydrophobicContact CE2-CG2 4.19Å; F216-T224 HydrophobicContact CG-CG2 4.19Å; F216-V225 HydrophobicContact CB-CG2 3.94Å; F216-Y228 HydrophobicContact CD2-CD2 4.08Å; F216-Y228 AromaticContact CD2-CE2 3.83Å; F216-Y228 HydrophobicContact CD2-CE2 3.83Å; F216-Y228 HydrophobicContact CE2-CD2 4.16Å; F216-Y228 AromaticContact CE2-CE2 3.46Å; F216-Y228 HydrophobicContact CE2-CE2 3.46Å; F216-Y228 VanDerWaalsContact CE2-CE2 3.46Å; F216-Y228 AromaticContact CE2-CZ 3.68Å; F216-Y228 HydrophobicContact CZ-CE2 4.39Å |
| 217 | S | 77 | Confident | 79.2 | Confident | 81 Ų | 81 | 91 Ų | 91 | 57% | 0.566 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.1 | -28.1 | 174.1 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | I213 T219 | I213-S217 WeakPolarHBondContact O-CB 3.45Å; I213-S217 PolarHBondContact O-N 3.18Å; S217-T219 VanDerWaalsContact C-N 3.3Å |
| 218 | R | 75.8 | Confident | 78.5 | Confident | 193 Ų | 193 | 91 Ų | 91 | 73% | 0.728 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -13.9 | 174.8 | -62.9 | -176.6 | 91.6 | 177.5 | 7.2 | 113.6 | K215 F216 | K215-R218 PolarHBondContact O-N 3.43Å; F216-R218 PolarHBondContact O-N 3.03Å |
| 219 | T | 74.3 | Confident | 78.1 | Confident | 79 Ų | 79 | 93.1 Ų | 93.1 | 49% | 0.485 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 17 | -177 | -36.2 | 0 | 0 | 0 | 0 | 112.4 | K215 F216 S217 R221 | K215-T219 PolarHBondContact O-OG1 2.88Å; F216-T219 PolarHBondContact O-N 3.42Å; S217-T219 VanDerWaalsContact C-N 3.3Å; T219-R221 PolarHBondContact O-N 3.29Å |
| 220 | E | 65.6 | Low | 77.7 | Confident | 153 Ų | 153 | 94.2 Ų | 94.2 | 72% | 0.715 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 22.5 | 177.1 | -61.7 | -171.7 | 166 | 0 | 0 | 116.4 | Y222 | E220-Y222 VanDerWaalsContact C-N 3.32Å; E220-Y222 HydrophobicContact CB-CE2 4.43Å; E220-Y222 WeakPolarHBondContact O-CD2 3.14Å; E220-Y222 PolarHBondContact O-N 3.47Å |
| 221 | R | 69.6 | Low | 77.3 | Confident | 145 Ų | 145 | 91.2 Ų | 91.2 | 55% | 0.547 | 43% | 0.427 | S | S | . | . | trans | -86.3 | 70.7 | 176.4 | -65 | -168.5 | -160.4 | 177.4 | 6 | 111.6 | T219 S223 T224 V225 | T219-R221 PolarHBondContact O-N 3.29Å; R221-S223 VanDerWaalsContact C-N 3.29Å; R221-S223 PolarHBondContact O-N 2.73Å; R221-T224 WeakPolarHBondContact O-CB 3.26Å; R221-T224 PolarHBondContact O-N 3Å; R221-V225 PolarHBondContact O-N 2.86Å; R221-V225 VanDerWaalsContact O-N 3.1Å | ||
| 222 | Y | 72.3 | Confident | 76.9 | Confident | 185 Ų | 185 | 85.1 Ų | 85.1 | 73% | 0.725 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -51.5 | -41.9 | -177.8 | -71.2 | -79.3 | 0 | 0 | 0 | 114.1 | E220 T224 V225 G226 | E220-Y222 VanDerWaalsContact C-N 3.32Å; E220-Y222 HydrophobicContact CB-CE2 4.43Å; E220-Y222 WeakPolarHBondContact O-CD2 3.14Å; E220-Y222 PolarHBondContact O-N 3.47Å; Y222-T224 VanDerWaalsContact C-N 3.33Å; Y222-T224 PolarHBondContact O-N 3.44Å; Y222-V225 PolarHBondContact O-N 3.48Å; Y222-G226 PolarHBondContact O-N 3.47Å; Y222-G226 VanDerWaalsContact O-N 3.1Å |
| 223 | S | 73.9 | Confident | 77 | Confident | 93 Ų | 93 | 87.8 Ų | 87.8 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.5 | -37 | -179.7 | 63.9 | 0 | 0 | 0 | 0 | 112.7 | R221 K227 | R221-S223 VanDerWaalsContact C-N 3.29Å; R221-S223 PolarHBondContact O-N 2.73Å; S223-K227 WeakPolarHBondContact O-CG 3.32Å; S223-K227 PolarHBondContact O-N 3.42Å |
| 224 | T | 74.5 | Confident | 77.1 | Confident | 35 Ų | 35 | 87.5 Ų | 87.5 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.8 | -45.9 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | F216 R221 Y222 G226 K227 Y228 | F216-T224 HydrophobicContact CD1-CG2 4.47Å; F216-T224 HydrophobicContact CD2-CG2 4.03Å; F216-T224 HydrophobicContact CE2-CG2 4.19Å; F216-T224 HydrophobicContact CG-CG2 4.19Å; R221-T224 WeakPolarHBondContact O-CB 3.26Å; R221-T224 PolarHBondContact O-N 3Å; Y222-T224 VanDerWaalsContact C-N 3.33Å; Y222-T224 PolarHBondContact O-N 3.44Å; T224-G226 VanDerWaalsContact C-N 3.29Å; T224-G226 PolarHBondContact O-N 3.19Å; T224-K227 PolarHBondContact O-N 3.02Å; T224-K227 VanDerWaalsContact O-N 3.1Å; T224-Y228 HydrophobicContact CG2-CD2 3.68Å; T224-Y228 HydrophobicContact CG2-CE2 3.47Å; T224-Y228 VanDerWaalsContact CG2-CE2 3.47Å; T224-Y228 VanDerWaalsContact O-CD2 3.29Å; T224-Y228 WeakPolarHBondContact O-CD2 3.48Å; T224-Y228 PolarHBondContact O-N 3.39Å; T224-Y228 VanDerWaalsContact O-N 3.09Å |
| 225 | V | 75.5 | Confident | 77.1 | Confident | 30 Ų | 30 | 80.7 Ų | 80.7 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.2 | -43.8 | 178.6 | 173 | 0 | 0 | 0 | 0 | 111.4 | I213 F216 R221 Y222 K227 Y228 K229 | I213-V225 HydrophobicContact CG2-CG1 4.24Å; F216-V225 HydrophobicContact CB-CG2 3.94Å; R221-V225 PolarHBondContact O-N 2.86Å; R221-V225 VanDerWaalsContact O-N 3.1Å; Y222-V225 PolarHBondContact O-N 3.48Å; V225-K227 PolarHBondContact O-N 3.43Å; V225-Y228 PolarHBondContact O-N 3.45Å; V225-K229 WeakPolarHBondContact O-CB 3.38Å; V225-K229 PolarHBondContact O-N 3.28Å |
| 226 | G | 76.4 | Confident | 77.3 | Confident | 40 Ų | 40 | 77.2 Ų | 77.2 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y222 T224 Y228 K229 Q230 | Y222-G226 PolarHBondContact O-N 3.47Å; Y222-G226 VanDerWaalsContact O-N 3.1Å; T224-G226 VanDerWaalsContact C-N 3.29Å; T224-G226 PolarHBondContact O-N 3.19Å; G226-Y228 PolarHBondContact O-N 2.96Å; G226-K229 PolarHBondContact O-N 2.95Å; G226-Q230 WeakPolarHBondContact O-CB 3.4Å; G226-Q230 PolarHBondContact O-N 3.45Å |
| 227 | K | 75 | Confident | 77.9 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 31% | 0.313 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 178 | -65.1 | -175.5 | 174.4 | -174.4 | 0 | 112.5 | S223 T224 V225 Q230 K231 M321 I322 | S223-K227 WeakPolarHBondContact O-CG 3.32Å; S223-K227 PolarHBondContact O-N 3.42Å; T224-K227 PolarHBondContact O-N 3.02Å; T224-K227 VanDerWaalsContact O-N 3.1Å; V225-K227 PolarHBondContact O-N 3.43Å; K227-Q230 PolarHBondContact O-N 3.13Å; K227-K231 WeakPolarHBondContact O-CG 3.42Å; K227-K231 PolarHBondContact O-N 3.23Å; K227-M321 VanDerWaalsContact CE-O 3.31Å; K227-M321 WeakPolarHBondContact CE-O 3.26Å; K227-M321 PolarHBondContact NZ-O 3.11Å; K227-I322 HydrophobicContact CB-CD1 3.91Å; K227-I322 HydrophobicContact CB-CG1 4.29Å; K227-I322 HydrophobicContact CD-CG1 4Å; K227-I322 HydrophobicContact CG-CD1 3.97Å; K227-I322 HydrophobicContact CG-CG1 3.82Å |
| 228 | Y | 75.8 | Confident | 78.5 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.6 | -39.6 | 177.2 | -81.3 | -84.8 | 0 | 0 | 0 | 112.3 | I209 I213 F216 T224 V225 G226 Q230 K231 S232 | I209-Y228 HydrophobicContact CG2-CD1 4.23Å; I209-Y228 WeakPolarHBondContact CG2-O 3.23Å; I213-Y228 VanDerWaalsContact CG1-CB 3.49Å; I213-Y228 HydrophobicContact CG1-CG 4.44Å; F216-Y228 HydrophobicContact CD2-CD2 4.08Å; F216-Y228 AromaticContact CD2-CE2 3.83Å; F216-Y228 HydrophobicContact CD2-CE2 3.83Å; F216-Y228 HydrophobicContact CE2-CD2 4.16Å; F216-Y228 AromaticContact CE2-CE2 3.46Å; F216-Y228 HydrophobicContact CE2-CE2 3.46Å; F216-Y228 VanDerWaalsContact CE2-CE2 3.46Å; F216-Y228 AromaticContact CE2-CZ 3.68Å; F216-Y228 HydrophobicContact CZ-CE2 4.39Å; T224-Y228 HydrophobicContact CG2-CD2 3.68Å; T224-Y228 HydrophobicContact CG2-CE2 3.47Å; T224-Y228 VanDerWaalsContact CG2-CE2 3.47Å; T224-Y228 VanDerWaalsContact O-CD2 3.29Å; T224-Y228 WeakPolarHBondContact O-CD2 3.48Å; T224-Y228 PolarHBondContact O-N 3.39Å; T224-Y228 VanDerWaalsContact O-N 3.09Å; V225-Y228 PolarHBondContact O-N 3.45Å; G226-Y228 PolarHBondContact O-N 2.96Å; Y228-Q230 VanDerWaalsContact C-N 3.25Å; Y228-Q230 PolarHBondContact O-N 2.94Å; Y228-K231 PolarHBondContact O-N 2.77Å; Y228-S232 WeakPolarHBondContact O-CB 3.36Å; Y228-S232 PolarHBondContact O-N 3.35Å |
| 229 | K | 80.5 | Confident | 79.1 | Confident | 151 Ų | 151 | 62.9 Ų | 62.9 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.2 | -41.1 | 174.9 | -173.8 | 175.6 | -178.2 | 177.7 | 0 | 111.3 | V225 G226 S232 K233 | V225-K229 WeakPolarHBondContact O-CB 3.38Å; V225-K229 PolarHBondContact O-N 3.28Å; G226-K229 PolarHBondContact O-N 2.95Å; K229-S232 WeakPolarHBondContact O-CB 3.4Å; K229-S232 PolarHBondContact O-N 2.93Å; K229-K233 PolarHBondContact O-N 3.04Å |
| 230 | Q | 77.9 | Confident | 79.9 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 177.1 | -174.9 | 170.9 | 48 | 0 | 0 | 112.9 | G226 K227 Y228 S232 K233 L234 S318 Y319 | G226-Q230 WeakPolarHBondContact O-CB 3.4Å; G226-Q230 PolarHBondContact O-N 3.45Å; K227-Q230 PolarHBondContact O-N 3.13Å; Y228-Q230 VanDerWaalsContact C-N 3.25Å; Y228-Q230 PolarHBondContact O-N 2.94Å; Q230-S232 VanDerWaalsContact C-N 3.27Å; Q230-S232 PolarHBondContact O-N 2.91Å; Q230-K233 PolarHBondContact O-N 3.13Å; Q230-L234 PolarHBondContact O-N 2.89Å; Q230-L234 VanDerWaalsContact O-N 3.13Å; Q230-S318 PolarHBondContact NE2-O 2.98Å; Q230-S318 PolarHBondContact OE1-O 3.48Å; Q230-Y319 HydrophobicContact CB-CE1 4.38Å; Q230-Y319 VanDerWaalsContact CD-CG 3.48Å; Q230-Y319 HydrophobicContact CG-CD1 3.39Å; Q230-Y319 HydrophobicContact CG-CE1 2.92Å; Q230-Y319 HydrophobicContact CG-CE2 4.15Å; Q230-Y319 HydrophobicContact CG-CG 4.17Å |
| 231 | K | 77.7 | Confident | 81.1 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.6 | -42 | 171 | -73.8 | -177.1 | 177.4 | -170.9 | 0 | 111.4 | K227 Y228 L234 M235 | K227-K231 WeakPolarHBondContact O-CG 3.42Å; K227-K231 PolarHBondContact O-N 3.23Å; Y228-K231 PolarHBondContact O-N 2.77Å; K231-L234 PolarHBondContact O-N 2.85Å; K231-M235 WeakPolarHBondContact O-CG 3.12Å; K231-M235 PolarHBondContact O-N 3.48Å |
| 232 | S | 80.4 | Confident | 82.1 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.4 | -168.2 | 0 | 0 | 0 | 0 | 112.1 | Y228 K229 Q230 L234 M235 L236 | Y228-S232 WeakPolarHBondContact O-CB 3.36Å; Y228-S232 PolarHBondContact O-N 3.35Å; K229-S232 WeakPolarHBondContact O-CB 3.4Å; K229-S232 PolarHBondContact O-N 2.93Å; Q230-S232 VanDerWaalsContact C-N 3.27Å; Q230-S232 PolarHBondContact O-N 2.91Å; S232-L234 VanDerWaalsContact C-N 3.32Å; S232-L234 PolarHBondContact O-N 3.43Å; S232-M235 PolarHBondContact O-N 3.03Å; S232-L236 VanDerWaalsContact O-CB 3.23Å; S232-L236 WeakPolarHBondContact O-CB 3.36Å; S232-L236 PolarHBondContact O-N 3.15Å |
| 233 | K | 86.9 | Confident | 83 | Confident | 69 Ų | 69 | 45 Ų | 45 | 30% | 0.3 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.2 | -42.7 | 176.8 | -173.5 | -179.8 | 175.6 | -178.3 | 0 | 111.4 | K229 Q230 T237 R292 E294 | K229-K233 PolarHBondContact O-N 3.04Å; Q230-K233 PolarHBondContact O-N 3.13Å; K233-T237 WeakPolarHBondContact O-CB 3.35Å; K233-T237 PolarHBondContact O-N 3.1Å; K233-T237 PolarHBondContact O-OG1 2.94Å; K233-R292 WeakPolarHBondContact CE-O 3.48Å; K233-E294 IonicContact NZ-OE1 3.19Å; K233-E294 PolarHBondContact NZ-OE1 3.21Å |
| 234 | L | 84.6 | Confident | 83.8 | Confident | 32 Ų | 32 | 41.1 Ų | 41.1 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -50.4 | 176.1 | -179.3 | 63.7 | 0 | 0 | 0 | 111.8 | I61 Q230 K231 S232 L236 T237 L238 M293 | I61-L234 HydrophobicContact CD1-CD1 4.42Å; Q230-L234 PolarHBondContact O-N 2.89Å; Q230-L234 VanDerWaalsContact O-N 3.13Å; K231-L234 PolarHBondContact O-N 2.85Å; S232-L234 VanDerWaalsContact C-N 3.32Å; S232-L234 PolarHBondContact O-N 3.43Å; L234-L236 VanDerWaalsContact C-N 3.31Å; L234-L236 PolarHBondContact O-N 3.48Å; L234-T237 WeakPolarHBondContact O-CB 3.43Å; L234-T237 PolarHBondContact O-N 3.41Å; L234-T237 VanDerWaalsContact O-N 3.08Å; L234-L238 HydrophobicContact CG-CD1 4.36Å; L234-L238 PolarHBondContact O-N 3.37Å; L234-M293 HydrophobicContact CD1-CE 3.65Å |
| 235 | M | 83.8 | Confident | 84.5 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 178.3 | -64.1 | -45.2 | 179.3 | 0 | 0 | 111.4 | R124 I128 L205 I206 I209 K231 S232 T237 L238 T239 | R124-M235 HydrophobicContact CB-CE 3.49Å; R124-M235 VanDerWaalsContact CB-CE 3.49Å; R124-M235 HydrophobicContact CB-SD 3.86Å; R124-M235 HydrophobicContact CG-CE 3.63Å; R124-M235 HydrophobicContact CG-SD 3.65Å; I128-M235 HydrophobicContact CD1-CE 3.66Å; L205-M235 HydrophobicContact CD1-CE 4.4Å; I206-M235 HydrophobicContact CG1-CB 4.02Å; I209-M235 HydrophobicContact CD1-CE 4.41Å; I209-M235 HydrophobicContact CD1-CG 3.75Å; K231-M235 WeakPolarHBondContact O-CG 3.12Å; K231-M235 PolarHBondContact O-N 3.48Å; S232-M235 PolarHBondContact O-N 3.03Å; M235-T237 PolarHBondContact O-N 3.18Å; M235-L238 PolarHBondContact O-N 3.12Å; M235-L238 VanDerWaalsContact O-N 3.14Å; M235-T239 PolarHBondContact O-N 3.48Å; M235-T239 PolarHBondContact O-OG1 2.89Å |
| 236 | L | 87.7 | Confident | 85.1 | Confident | 49 Ų | 49 | 40.4 Ų | 40.4 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.1 | -35.9 | 178.8 | -175.1 | 63.3 | 0 | 0 | 0 | 111.8 | I206 S232 L234 T239 Y240 | I206-L236 HydrophobicContact CD1-CD1 4.15Å; S232-L236 VanDerWaalsContact O-CB 3.23Å; S232-L236 WeakPolarHBondContact O-CB 3.36Å; S232-L236 PolarHBondContact O-N 3.15Å; L234-L236 VanDerWaalsContact C-N 3.31Å; L234-L236 PolarHBondContact O-N 3.48Å; L236-T239 PolarHBondContact O-N 3.36Å; L236-Y240 HydrophobicContact CD1-CE1 4.07Å; L236-Y240 HydrophobicContact CD1-CE2 3.97Å; L236-Y240 HydrophobicContact CD2-CE2 3.98Å; L236-Y240 HydrophobicContact CG-CD2 4.14Å; L236-Y240 HydrophobicContact CG-CE2 3.55Å; L236-Y240 VanDerWaalsContact O-CD2 3.22Å; L236-Y240 WeakPolarHBondContact O-CD2 3.46Å; L236-Y240 VanDerWaalsContact O-CG 3.26Å; L236-Y240 PolarHBondContact O-N 2.91Å |
| 237 | T | 90.5 | Very high | 85.8 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 175.4 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | K233 L234 M235 T239 Y240 T241 I288 L289 R292 M293 | K233-T237 WeakPolarHBondContact O-CB 3.35Å; K233-T237 PolarHBondContact O-N 3.1Å; K233-T237 PolarHBondContact O-OG1 2.94Å; L234-T237 WeakPolarHBondContact O-CB 3.43Å; L234-T237 PolarHBondContact O-N 3.41Å; L234-T237 VanDerWaalsContact O-N 3.08Å; M235-T237 PolarHBondContact O-N 3.18Å; T237-T239 VanDerWaalsContact C-N 3.33Å; T237-T239 PolarHBondContact O-N 2.82Å; T237-Y240 PolarHBondContact O-N 2.87Å; T237-T241 PolarHBondContact O-N 2.98Å; T237-T241 PolarHBondContact O-OG1 3.33Å; T237-I288 HydrophobicContact CG2-CG2 3.99Å; T237-L289 HydrophobicContact CG2-CD2 4.29Å; T237-R292 HydrophobicContact CG2-CB 3.62Å; T237-R292 HydrophobicContact CG2-CG 4.37Å; T237-M293 HydrophobicContact CG2-CE 4.47Å |
| 238 | L | 89.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 175 | -66.8 | 170.3 | 0 | 0 | 0 | 112.1 | I61 T120 Y202 L234 M235 T241 V242 | I61-L238 HydrophobicContact CD1-CD2 4.38Å; I61-L238 HydrophobicContact CG1-CD2 4.01Å; T120-L238 HydrophobicContact CG2-CD1 3.9Å; T120-L238 HydrophobicContact CG2-CD2 4.38Å; Y202-L238 HydrophobicContact CE1-CB 4.05Å; Y202-L238 HydrophobicContact CE1-CD1 4.2Å; Y202-L238 HydrophobicContact CE2-CB 4.2Å; L234-L238 HydrophobicContact CG-CD1 4.36Å; L234-L238 PolarHBondContact O-N 3.37Å; M235-L238 PolarHBondContact O-N 3.12Å; M235-L238 VanDerWaalsContact O-N 3.14Å; L238-T241 WeakPolarHBondContact CA-OG1 3.36Å; L238-T241 PolarHBondContact O-N 2.97Å; L238-T241 PolarHBondContact O-OG1 3.06Å; L238-V242 WeakPolarHBondContact O-CG2 3.02Å; L238-V242 PolarHBondContact O-N 3.27Å |
| 239 | T | 87.9 | Confident | 86.9 | Confident | 13 Ų | 13 | 37.4 Ų | 37.4 | 8% | 0.08 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 173.3 | -49.4 | 0 | 0 | 0 | 0 | 111 | Y202 I206 M235 L236 T237 T241 V242 V243 | Y202-T239 VanDerWaalsContact CB-OG1 3.31Å; Y202-T239 WeakPolarHBondContact CB-OG1 3.41Å; I206-T239 HydrophobicContact CD1-CG2 4.37Å; I206-T239 VanDerWaalsContact CD1-OG1 3.27Å; I206-T239 WeakPolarHBondContact CD1-OG1 3.44Å; M235-T239 PolarHBondContact O-N 3.48Å; M235-T239 PolarHBondContact O-OG1 2.89Å; L236-T239 PolarHBondContact O-N 3.36Å; T237-T239 VanDerWaalsContact C-N 3.33Å; T237-T239 PolarHBondContact O-N 2.82Å; T239-T241 VanDerWaalsContact C-N 3.32Å; T239-T241 PolarHBondContact O-N 2.82Å; T239-V242 PolarHBondContact O-N 2.92Å; T239-V243 HydrophobicContact CG2-CG2 4.21Å; T239-V243 WeakPolarHBondContact O-CB 3.43Å; T239-V243 VanDerWaalsContact O-CG2 3.28Å; T239-V243 WeakPolarHBondContact O-CG2 3.32Å; T239-V243 PolarHBondContact O-N 3.45Å |
| 240 | Y | 91.7 | Very high | 87.2 | Confident | 110 Ų | 110 | 34.6 Ų | 34.6 | 43% | 0.431 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.7 | -37.6 | 176.6 | -69 | -36.1 | 0 | 0 | 0 | 112.6 | L236 T237 G244 I288 | L236-Y240 HydrophobicContact CD1-CE1 4.07Å; L236-Y240 HydrophobicContact CD1-CE2 3.97Å; L236-Y240 HydrophobicContact CD2-CE2 3.98Å; L236-Y240 HydrophobicContact CG-CD2 4.14Å; L236-Y240 HydrophobicContact CG-CE2 3.55Å; L236-Y240 VanDerWaalsContact O-CD2 3.22Å; L236-Y240 WeakPolarHBondContact O-CD2 3.46Å; L236-Y240 VanDerWaalsContact O-CG 3.26Å; L236-Y240 PolarHBondContact O-N 2.91Å; T237-Y240 PolarHBondContact O-N 2.87Å; Y240-G244 PolarHBondContact O-N 3.37Å; Y240-I288 WeakPolarHBondContact O-CD1 3.33Å |
| 241 | T | 91.8 | Very high | 87.6 | Confident | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 175 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | T237 L238 T239 G244 Y245 I288 L289 | T237-T241 PolarHBondContact O-N 2.98Å; T237-T241 PolarHBondContact O-OG1 3.33Å; L238-T241 WeakPolarHBondContact CA-OG1 3.36Å; L238-T241 PolarHBondContact O-N 2.97Å; L238-T241 PolarHBondContact O-OG1 3.06Å; T239-T241 VanDerWaalsContact C-N 3.32Å; T239-T241 PolarHBondContact O-N 2.82Å; T241-G244 PolarHBondContact O-N 3.39Å; T241-Y245 WeakPolarHBondContact O-CB 3.09Å; T241-Y245 PolarHBondContact O-N 2.84Å; T241-I288 HydrophobicContact CG2-CB 4.01Å; T241-I288 HydrophobicContact CG2-CG2 3.6Å; T241-L289 HydrophobicContact CG2-CD2 4.13Å; T241-L289 HydrophobicContact CG2-CG 4.3Å |
| 242 | V | 90.3 | Very high | 87.9 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.8 | -45.2 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | T198 V199 Y202 L238 T239 G244 Y245 V246 | T198-V242 HydrophobicContact CG2-CG1 4.25Å; T198-V242 HydrophobicContact CG2-CG2 4.06Å; V199-V242 HydrophobicContact CG2-CG1 3.78Å; Y202-V242 HydrophobicContact CD2-CG2 4.45Å; Y202-V242 HydrophobicContact CE2-CG2 3.87Å; L238-V242 WeakPolarHBondContact O-CG2 3.02Å; L238-V242 PolarHBondContact O-N 3.27Å; T239-V242 PolarHBondContact O-N 2.92Å; V242-G244 VanDerWaalsContact C-N 3.31Å; V242-G244 PolarHBondContact O-N 2.76Å; V242-Y245 WeakPolarHBondContact O-CB 3.01Å; V242-Y245 PolarHBondContact O-N 3.09Å; V242-V246 HydrophobicContact CG1-CG2 4.31Å; V242-V246 VanDerWaalsContact O-CG2 3.29Å; V242-V246 WeakPolarHBondContact O-CG2 3.23Å; V242-V246 PolarHBondContact O-N 3.21Å |
| 243 | V | 90.4 | Very high | 87.8 | Confident | 63 Ų | 63 | 34.8 Ų | 34.8 | 38% | 0.382 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | T239 Y245 V246 C247 | T239-V243 HydrophobicContact CG2-CG2 4.21Å; T239-V243 WeakPolarHBondContact O-CB 3.43Å; T239-V243 VanDerWaalsContact O-CG2 3.28Å; T239-V243 WeakPolarHBondContact O-CG2 3.32Å; T239-V243 PolarHBondContact O-N 3.45Å; V243-Y245 VanDerWaalsContact C-N 3.34Å; V243-Y245 PolarHBondContact O-N 3.22Å; V243-V246 PolarHBondContact O-N 3.36Å; V243-C247 WeakPolarHBondContact O-CB 3.33Å; V243-C247 PolarHBondContact O-N 3.11Å; V243-C247 PolarHBondContact O-SG 3.24Å |
| 244 | G | 90.8 | Very high | 87.6 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y240 T241 V242 C247 T248 | Y240-G244 PolarHBondContact O-N 3.37Å; T241-G244 PolarHBondContact O-N 3.39Å; V242-G244 VanDerWaalsContact C-N 3.31Å; V242-G244 PolarHBondContact O-N 2.76Å; G244-C247 PolarHBondContact O-N 3.14Å; G244-T248 WeakPolarHBondContact O-CG2 3.24Å; G244-T248 PolarHBondContact O-N 2.99Å; G244-T248 PolarHBondContact O-OG1 3.07Å; G244-T248 VanDerWaalsContact O-OG1 3.14Å |
| 245 | Y | 89.4 | Confident | 87.5 | Confident | 18 Ų | 18 | 33.8 Ų | 33.8 | 7% | 0.071 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.1 | -50.5 | 174.2 | 171.1 | -108.7 | 0 | 0 | 0 | 112.4 | Y68 T110 I113 V114 I195 T241 V242 V243 C247 T248 M249 | Y68-Y245 HydrophobicContact CE1-CD2 4.4Å; Y68-Y245 WeakPolarHBondContact OH-CB 3.47Å; T110-Y245 WeakPolarHBondContact CG2-OH 3.37Å; I113-Y245 HydrophobicContact CG2-CD1 4.39Å; I113-Y245 HydrophobicContact CG2-CD2 4.12Å; I113-Y245 HydrophobicContact CG2-CE1 4.34Å; I113-Y245 HydrophobicContact CG2-CE2 4.06Å; I113-Y245 HydrophobicContact CG2-CG 4.27Å; V114-Y245 HydrophobicContact CG2-CE1 3.95Å; I195-Y245 HydrophobicContact CD1-CD1 4.44Å; I195-Y245 HydrophobicContact CD1-CE1 3.69Å; I195-Y245 HydrophobicContact CG1-CE1 4.24Å; T241-Y245 WeakPolarHBondContact O-CB 3.09Å; T241-Y245 PolarHBondContact O-N 2.84Å; V242-Y245 WeakPolarHBondContact O-CB 3.01Å; V242-Y245 PolarHBondContact O-N 3.09Å; V243-Y245 VanDerWaalsContact C-N 3.34Å; V243-Y245 PolarHBondContact O-N 3.22Å; Y245-C247 VanDerWaalsContact C-N 3.35Å; Y245-C247 PolarHBondContact O-N 2.04Å; Y245-T248 WeakPolarHBondContact CA-OG1 3.45Å; Y245-T248 PolarHBondContact O-N 3.43Å; Y245-T248 PolarHBondContact O-OG1 3.11Å; Y245-M249 HydrophobicContact CE1-SD 4.01Å; Y245-M249 WeakPolarHBondContact O-CB 3.16Å; Y245-M249 PolarHBondContact O-N 3.4Å; Y245-M249 PolarHBondContact OH-SD 2.93Å; Y245-M249 VanDerWaalsContact OH-SD 3.4Å |
| 246 | V | 88.6 | Confident | 87 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | I195 V242 V243 T248 M249 L250 | I195-V246 HydrophobicContact CG2-CG2 3.22Å; V242-V246 HydrophobicContact CG1-CG2 4.31Å; V242-V246 VanDerWaalsContact O-CG2 3.29Å; V242-V246 WeakPolarHBondContact O-CG2 3.23Å; V242-V246 PolarHBondContact O-N 3.21Å; V243-V246 PolarHBondContact O-N 3.36Å; V246-T248 PolarHBondContact O-N 3.09Å; V246-M249 PolarHBondContact O-N 3.39Å; V246-L250 HydrophobicContact CG1-CD1 3.59Å; V246-L250 HydrophobicContact CG1-CG 4.05Å; V246-L250 VanDerWaalsContact O-CB 3.28Å; V246-L250 WeakPolarHBondContact O-CB 3.48Å; V246-L250 VanDerWaalsContact O-CG 3.24Å; V246-L250 WeakPolarHBondContact O-CG 3.47Å; V246-L250 PolarHBondContact O-N 2.97Å |
| 247 | C | 90.5 | Very high | 86.2 | Confident | 70 Ų | 70 | 35.9 Ų | 35.9 | 47% | 0.473 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 177.2 | -70.3 | 0 | 0 | 0 | 0 | 111.4 | V243 G244 Y245 V251 | V243-C247 WeakPolarHBondContact O-CB 3.33Å; V243-C247 PolarHBondContact O-N 3.11Å; V243-C247 PolarHBondContact O-SG 3.24Å; G244-C247 PolarHBondContact O-N 3.14Å; Y245-C247 VanDerWaalsContact C-N 3.35Å; Y245-C247 PolarHBondContact O-N 2.04Å; C247-V251 WeakPolarHBondContact O-CB 3.24Å; C247-V251 VanDerWaalsContact O-CG2 3.24Å; C247-V251 WeakPolarHBondContact O-CG2 3.24Å; C247-V251 PolarHBondContact O-N 3.47Å; C247-V251 VanDerWaalsContact O-N 3.09Å |
| 248 | T | 89.7 | Confident | 85.7 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | G244 Y245 V246 G252 A277 N278 F280 G281 V284 | G244-T248 WeakPolarHBondContact O-CG2 3.24Å; G244-T248 PolarHBondContact O-N 2.99Å; G244-T248 PolarHBondContact O-OG1 3.07Å; G244-T248 VanDerWaalsContact O-OG1 3.14Å; Y245-T248 WeakPolarHBondContact CA-OG1 3.45Å; Y245-T248 PolarHBondContact O-N 3.43Å; Y245-T248 PolarHBondContact O-OG1 3.11Å; V246-T248 PolarHBondContact O-N 3.09Å; T248-G252 PolarHBondContact O-N 2.84Å; T248-A277 WeakPolarHBondContact CB-O 3.47Å; T248-N278 PolarHBondContact O-OD1 3.47Å; T248-F280 HydrophobicContact CG2-CB 4.29Å; T248-G281 WeakPolarHBondContact OG1-CA 3.43Å; T248-V284 HydrophobicContact CG2-CG2 4.47Å |
| 249 | M | 84.8 | Confident | 84.7 | Confident | 18 Ų | 18 | 39.4 Ų | 39.4 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | -179.5 | -171.9 | -175.7 | -179.2 | 0 | 0 | 112.2 | L188 Y191 I195 Y245 V246 G252 N253 N278 | L188-M249 HydrophobicContact CD1-CE 4.18Å; Y191-M249 HydrophobicContact CD2-CE 4.13Å; I195-M249 HydrophobicContact CD1-SD 4Å; Y245-M249 HydrophobicContact CE1-SD 4.01Å; Y245-M249 WeakPolarHBondContact O-CB 3.16Å; Y245-M249 PolarHBondContact O-N 3.4Å; Y245-M249 PolarHBondContact OH-SD 2.93Å; Y245-M249 VanDerWaalsContact OH-SD 3.4Å; V246-M249 PolarHBondContact O-N 3.39Å; M249-G252 PolarHBondContact O-N 3.37Å; M249-N253 WeakPolarHBondContact CG-ND2 3.24Å; M249-N253 WeakPolarHBondContact O-CB 3.5Å; M249-N253 VanDerWaalsContact O-CG 3.24Å; M249-N253 PolarHBondContact O-N 3.13Å; M249-N278 VanDerWaalsContact CA-OD1 3.24Å; M249-N278 WeakPolarHBondContact CA-OD1 3.44Å; M249-N278 PolarHBondContact O-OD1 2.67Å |
| 250 | L | 85.7 | Confident | 83.7 | Confident | 93 Ų | 93 | 40.2 Ų | 40.2 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 178.5 | -75.8 | 175.4 | 0 | 0 | 0 | 111.2 | V246 T254 | V246-L250 HydrophobicContact CG1-CD1 3.59Å; V246-L250 HydrophobicContact CG1-CG 4.05Å; V246-L250 VanDerWaalsContact O-CB 3.28Å; V246-L250 WeakPolarHBondContact O-CB 3.48Å; V246-L250 VanDerWaalsContact O-CG 3.24Å; V246-L250 WeakPolarHBondContact O-CG 3.47Å; V246-L250 PolarHBondContact O-N 2.97Å; L250-T254 WeakPolarHBondContact O-CB 3.28Å; L250-T254 PolarHBondContact O-N 3.16Å; L250-T254 PolarHBondContact O-OG1 2.6Å |
| 251 | V | 88 | Confident | 82.8 | Confident | 74 Ų | 74 | 42.6 Ų | 42.6 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 178.1 | 172 | 0 | 0 | 0 | 0 | 109.9 | C247 A255 I274 A277 | C247-V251 WeakPolarHBondContact O-CB 3.24Å; C247-V251 VanDerWaalsContact O-CG2 3.24Å; C247-V251 WeakPolarHBondContact O-CG2 3.24Å; C247-V251 PolarHBondContact O-N 3.47Å; C247-V251 VanDerWaalsContact O-N 3.09Å; V251-A255 VanDerWaalsContact O-CB 3.28Å; V251-A255 WeakPolarHBondContact O-CB 3.28Å; V251-A255 PolarHBondContact O-N 3.15Å; V251-I274 HydrophobicContact CG1-CG2 3.9Å; V251-A277 HydrophobicContact CB-CB 4.14Å; V251-A277 HydrophobicContact CG1-CB 3.66Å |
| 252 | G | 83.2 | Confident | 82 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70 | -40.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T248 M249 A255 A256 S275 N278 | T248-G252 PolarHBondContact O-N 2.84Å; M249-G252 PolarHBondContact O-N 3.37Å; G252-A255 PolarHBondContact O-N 3.26Å; G252-A256 WeakPolarHBondContact O-CB 3.4Å; G252-A256 PolarHBondContact O-N 3.33Å; G252-S275 WeakPolarHBondContact O-CB 3.46Å; G252-N278 VanDerWaalsContact CA-OD1 3.24Å; G252-N278 WeakPolarHBondContact CA-OD1 3.28Å |
| 253 | N | 79.1 | Confident | 81.3 | Confident | 39 Ų | 39 | 49 Ų | 49 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 176.7 | -70.9 | -9.8 | 0 | 0 | 0 | 112.2 | M249 A255 A256 I257 N278 | M249-N253 WeakPolarHBondContact CG-ND2 3.24Å; M249-N253 WeakPolarHBondContact O-CB 3.5Å; M249-N253 VanDerWaalsContact O-CG 3.24Å; M249-N253 PolarHBondContact O-N 3.13Å; N253-A255 VanDerWaalsContact C-N 3.3Å; N253-A255 PolarHBondContact O-N 3.18Å; N253-A256 PolarHBondContact O-N 3.34Å; N253-I257 VanDerWaalsContact O-CG1 3.28Å; N253-I257 WeakPolarHBondContact O-CG1 3.3Å; N253-I257 PolarHBondContact O-N 2.93Å; N253-N278 PolarHBondContact OD1-ND2 3.48Å |
| 254 | T | 82.1 | Confident | 80.7 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 47% | 0.466 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 176 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | L250 I257 L258 | L250-T254 WeakPolarHBondContact O-CB 3.28Å; L250-T254 PolarHBondContact O-N 3.16Å; L250-T254 PolarHBondContact O-OG1 2.6Å; T254-I257 PolarHBondContact O-N 3.25Å; T254-L258 HydrophobicContact CG2-CD1 4.07Å; T254-L258 HydrophobicContact CG2-CG 4.44Å; T254-L258 WeakPolarHBondContact O-CB 3.21Å; T254-L258 VanDerWaalsContact O-CG 3.3Å; T254-L258 WeakPolarHBondContact O-CG 3.25Å; T254-L258 PolarHBondContact O-N 3.37Å |
| 255 | A | 82.4 | Confident | 79.6 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V251 G252 N253 I257 L258 A259 Y271 I274 | V251-A255 VanDerWaalsContact O-CB 3.28Å; V251-A255 WeakPolarHBondContact O-CB 3.28Å; V251-A255 PolarHBondContact O-N 3.15Å; G252-A255 PolarHBondContact O-N 3.26Å; N253-A255 VanDerWaalsContact C-N 3.3Å; N253-A255 PolarHBondContact O-N 3.18Å; A255-I257 VanDerWaalsContact C-N 3.33Å; A255-I257 PolarHBondContact O-N 3.44Å; A255-L258 PolarHBondContact O-N 3.47Å; A255-A259 WeakPolarHBondContact O-CB 3.32Å; A255-A259 PolarHBondContact O-N 3.26Å; A255-Y271 WeakPolarHBondContact CB-O 3.42Å; A255-Y271 WeakPolarHBondContact O-CB 3.23Å; A255-I274 HydrophobicContact CB-CB 3.81Å; A255-I274 HydrophobicContact CB-CG2 3.59Å |
| 256 | A | 72.1 | Confident | 79 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 28% | 0.281 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G252 N253 A259 G260 | G252-A256 WeakPolarHBondContact O-CB 3.4Å; G252-A256 PolarHBondContact O-N 3.33Å; N253-A256 PolarHBondContact O-N 3.34Å; A256-A259 PolarHBondContact O-N 2.96Å; A256-G260 PolarHBondContact O-N 3.26Å; A256-G260 VanDerWaalsContact O-N 3.15Å |
| 257 | I | 72.6 | Confident | 78.5 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 32% | 0.323 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 176.1 | -67.6 | 164.1 | 0 | 0 | 0 | 110.9 | I176 N253 T254 A255 A259 G260 K261 | I176-I257 HydrophobicContact CD1-CG1 3.88Å; N253-I257 VanDerWaalsContact O-CG1 3.28Å; N253-I257 WeakPolarHBondContact O-CG1 3.3Å; N253-I257 PolarHBondContact O-N 2.93Å; T254-I257 PolarHBondContact O-N 3.25Å; A255-I257 VanDerWaalsContact C-N 3.33Å; A255-I257 PolarHBondContact O-N 3.44Å; I257-A259 VanDerWaalsContact C-N 3.34Å; I257-G260 PolarHBondContact O-N 3.47Å; I257-K261 HydrophobicContact CG2-CD 4.16Å; I257-K261 WeakPolarHBondContact O-CG 3.31Å; I257-K261 PolarHBondContact O-N 2.85Å; I257-K261 VanDerWaalsContact O-N 3.1Å |
| 258 | L | 78.3 | Confident | 77.6 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 37% | 0.366 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 177.3 | -72.3 | 172.9 | 0 | 0 | 0 | 111.7 | T254 A255 G260 K261 T262 Y271 | T254-L258 HydrophobicContact CG2-CD1 4.07Å; T254-L258 HydrophobicContact CG2-CG 4.44Å; T254-L258 WeakPolarHBondContact O-CB 3.21Å; T254-L258 VanDerWaalsContact O-CG 3.3Å; T254-L258 WeakPolarHBondContact O-CG 3.25Å; T254-L258 PolarHBondContact O-N 3.37Å; A255-L258 PolarHBondContact O-N 3.47Å; L258-G260 VanDerWaalsContact C-N 3.29Å; L258-G260 PolarHBondContact O-N 2.97Å; L258-K261 PolarHBondContact O-N 3.21Å; L258-K261 VanDerWaalsContact O-N 3.11Å; L258-T262 WeakPolarHBondContact O-CG2 3.17Å; L258-T262 PolarHBondContact O-N 2.65Å; L258-Y271 HydrophobicContact CB-CD1 4.02Å; L258-Y271 HydrophobicContact CB-CD2 3.81Å; L258-Y271 HydrophobicContact CB-CE1 4.16Å; L258-Y271 HydrophobicContact CB-CE2 3.94Å; L258-Y271 HydrophobicContact CB-CG 3.88Å; L258-Y271 HydrophobicContact CD1-CD1 4.22Å; L258-Y271 HydrophobicContact CD1-CE1 3.84Å |
| 259 | A | 70.3 | Confident | 76.6 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | A255 A256 I257 K261 L272 | A255-A259 WeakPolarHBondContact O-CB 3.32Å; A255-A259 PolarHBondContact O-N 3.26Å; A256-A259 PolarHBondContact O-N 2.96Å; I257-A259 VanDerWaalsContact C-N 3.34Å; A259-K261 VanDerWaalsContact C-N 3.32Å; A259-K261 PolarHBondContact O-N 3.4Å; A259-L272 HydrophobicContact CB-CD2 3.85Å; A259-L272 HydrophobicContact CB-CG 3.83Å |
| 260 | G | 65.1 | Low | 76.5 | Confident | 30 Ų | 30 | 55 Ų | 55 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -74.3 | -16.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I3 Y5 A256 I257 L258 | I3-G260 WeakPolarHBondContact CD1-O 3.37Å; Y5-G260 PolarHBondContact OH-O 2.67Å; A256-G260 PolarHBondContact O-N 3.26Å; A256-G260 VanDerWaalsContact O-N 3.15Å; I257-G260 PolarHBondContact O-N 3.47Å; L258-G260 VanDerWaalsContact C-N 3.29Å; L258-G260 PolarHBondContact O-N 2.97Å |
| 261 | K | 73.9 | Confident | 76.2 | Confident | 159 Ų | 159 | 53.3 Ų | 53.3 | 69% | 0.691 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -101 | -23.2 | -178.3 | -75.5 | -174.2 | 176.5 | -177.1 | 0 | 114.2 | I257 L258 A259 | I257-K261 HydrophobicContact CG2-CD 4.16Å; I257-K261 WeakPolarHBondContact O-CG 3.31Å; I257-K261 PolarHBondContact O-N 2.85Å; I257-K261 VanDerWaalsContact O-N 3.1Å; L258-K261 PolarHBondContact O-N 3.21Å; L258-K261 VanDerWaalsContact O-N 3.11Å; A259-K261 VanDerWaalsContact C-N 3.32Å; A259-K261 PolarHBondContact O-N 3.4Å |
| 262 | T | 75.1 | Confident | 75.5 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 23% | 0.233 | 30% | 0.301 | C | S | . | . | trans | -76.9 | 139.2 | -178.7 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | L258 D264 M267 A268 Y271 | L258-T262 WeakPolarHBondContact O-CG2 3.17Å; L258-T262 PolarHBondContact O-N 2.65Å; T262-D264 PolarHBondContact OG1-N 3.5Å; T262-M267 HydrophobicContact CG2-CB 4.35Å; T262-A268 VanDerWaalsContact CG2-CA 3.46Å; T262-A268 HydrophobicContact CG2-CB 3.56Å; T262-Y271 HydrophobicContact CG2-CD2 4.07Å; T262-Y271 HydrophobicContact CG2-CE2 4.34Å | ||
| 263 | S | 74.3 | Confident | 75.4 | Confident | 110 Ų | 110 | 55 Ų | 55 | 77% | 0.769 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -85.6 | -18.7 | 172.4 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 264 | D | 79.4 | Confident | 75.6 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | trans | -82.9 | 117.6 | 177.9 | -178.3 | -14.8 | 0 | 0 | 0 | 110.1 | T262 A266 M267 A268 | T262-D264 PolarHBondContact OG1-N 3.5Å; D264-A266 PolarHBondContact OD1-N 3.4Å; D264-M267 HydrophobicContact CB-CB 4.06Å; D264-M267 HydrophobicContact CB-CG 4.1Å; D264-M267 PolarHBondContact O-N 2.8Å; D264-M267 WeakPolarHBondContact OD2-CG 3.35Å; D264-A268 WeakPolarHBondContact O-CB 3.29Å; D264-A268 PolarHBondContact O-N 3.01Å | ||
| 265 | M | 67.5 | Low | 75.5 | Confident | 52 Ų | 52 | 54 Ų | 54 | 26% | 0.256 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -35 | -176.5 | -60.5 | -57.3 | 176.6 | 0 | 0 | 113.1 | V13 Y16 M267 A268 S269 | V13-M265 HydrophobicContact CB-SD 4.18Å; V13-M265 HydrophobicContact CG1-SD 4.15Å; V13-M265 HydrophobicContact CG2-CE 3.33Å; V13-M265 HydrophobicContact CG2-SD 3.39Å; V13-M265 WeakPolarHBondContact CG2-SD 3.48Å; Y16-M265 HydrophobicContact CD1-CB 4.09Å; Y16-M265 HydrophobicContact CE1-CB 4.43Å; M265-M267 VanDerWaalsContact C-N 3.34Å; M265-A268 PolarHBondContact O-N 3.18Å; M265-S269 WeakPolarHBondContact O-CB 3.3Å; M265-S269 PolarHBondContact O-N 2.86Å |
| 266 | A | 75.2 | Confident | 75.4 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 41% | 0.405 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D264 T270 | D264-A266 PolarHBondContact OD1-N 3.4Å; A266-T270 PolarHBondContact O-N 2.92Å; A266-T270 VanDerWaalsContact O-N 3.11Å; A266-T270 PolarHBondContact O-OG1 2.74Å |
| 267 | M | 80 | Confident | 75.9 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 173.6 | -68.2 | -63.2 | -66.6 | 0 | 0 | 111.8 | T262 D264 M265 S269 T270 Y271 | T262-M267 HydrophobicContact CG2-CB 4.35Å; D264-M267 HydrophobicContact CB-CB 4.06Å; D264-M267 HydrophobicContact CB-CG 4.1Å; D264-M267 PolarHBondContact O-N 2.8Å; D264-M267 WeakPolarHBondContact OD2-CG 3.35Å; M265-M267 VanDerWaalsContact C-N 3.34Å; M267-S269 VanDerWaalsContact C-N 3.34Å; M267-S269 PolarHBondContact O-N 2.99Å; M267-T270 PolarHBondContact O-N 3.07Å; M267-Y271 HydrophobicContact CB-CE2 4.21Å; M267-Y271 HydrophobicContact CE-CE2 4.04Å; M267-Y271 WeakPolarHBondContact CE-OH 3.35Å; M267-Y271 WeakPolarHBondContact O-CD2 3.33Å; M267-Y271 PolarHBondContact O-N 2.93Å |
| 268 | A | 70.2 | Confident | 76.4 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T262 D264 M265 T270 Y271 L272 | T262-A268 VanDerWaalsContact CG2-CA 3.46Å; T262-A268 HydrophobicContact CG2-CB 3.56Å; D264-A268 WeakPolarHBondContact O-CB 3.29Å; D264-A268 PolarHBondContact O-N 3.01Å; M265-A268 PolarHBondContact O-N 3.18Å; A268-T270 PolarHBondContact O-N 3.09Å; A268-Y271 PolarHBondContact O-N 3.01Å; A268-L272 WeakPolarHBondContact O-CG 3.37Å; A268-L272 PolarHBondContact O-N 2.89Å |
| 269 | S | 70.1 | Confident | 76.5 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 112 | E20 M265 M267 Y271 L272 L273 | E20-S269 WeakPolarHBondContact CB-OG 3.47Å; E20-S269 WeakPolarHBondContact CG-OG 3.22Å; M265-S269 WeakPolarHBondContact O-CB 3.3Å; M265-S269 PolarHBondContact O-N 2.86Å; M267-S269 VanDerWaalsContact C-N 3.34Å; M267-S269 PolarHBondContact O-N 2.99Å; S269-Y271 VanDerWaalsContact C-N 3.33Å; S269-Y271 PolarHBondContact O-N 3.28Å; S269-L272 WeakPolarHBondContact O-CB 3.27Å; S269-L272 PolarHBondContact O-N 3.1Å; S269-L272 VanDerWaalsContact O-N 3.11Å; S269-L273 PolarHBondContact O-N 3.44Å |
| 270 | T | 80.7 | Confident | 77.4 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 44% | 0.436 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 177 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | A266 M267 A268 L272 L273 I274 | A266-T270 PolarHBondContact O-N 2.92Å; A266-T270 VanDerWaalsContact O-N 3.11Å; A266-T270 PolarHBondContact O-OG1 2.74Å; M267-T270 PolarHBondContact O-N 3.07Å; A268-T270 PolarHBondContact O-N 3.09Å; T270-L272 PolarHBondContact O-N 3.27Å; T270-L273 WeakPolarHBondContact O-CB 3.16Å; T270-L273 PolarHBondContact O-N 3.01Å; T270-I274 HydrophobicContact CG2-CD1 4.23Å; T270-I274 WeakPolarHBondContact O-CG1 3.16Å; T270-I274 PolarHBondContact O-N 3.38Å |
| 271 | Y | 80.1 | Confident | 78.6 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 175.9 | -70.9 | -46.2 | 0 | 0 | 0 | 112.7 | A255 L258 T262 M267 A268 S269 L273 I274 S275 | A255-Y271 WeakPolarHBondContact CB-O 3.42Å; A255-Y271 WeakPolarHBondContact O-CB 3.23Å; L258-Y271 HydrophobicContact CB-CD1 4.02Å; L258-Y271 HydrophobicContact CB-CD2 3.81Å; L258-Y271 HydrophobicContact CB-CE1 4.16Å; L258-Y271 HydrophobicContact CB-CE2 3.94Å; L258-Y271 HydrophobicContact CB-CG 3.88Å; L258-Y271 HydrophobicContact CD1-CD1 4.22Å; L258-Y271 HydrophobicContact CD1-CE1 3.84Å; T262-Y271 HydrophobicContact CG2-CD2 4.07Å; T262-Y271 HydrophobicContact CG2-CE2 4.34Å; M267-Y271 HydrophobicContact CB-CE2 4.21Å; M267-Y271 HydrophobicContact CE-CE2 4.04Å; M267-Y271 WeakPolarHBondContact CE-OH 3.35Å; M267-Y271 WeakPolarHBondContact O-CD2 3.33Å; M267-Y271 PolarHBondContact O-N 2.93Å; A268-Y271 PolarHBondContact O-N 3.01Å; S269-Y271 VanDerWaalsContact C-N 3.33Å; S269-Y271 PolarHBondContact O-N 3.28Å; Y271-L273 VanDerWaalsContact C-N 3.32Å; Y271-L273 PolarHBondContact O-N 2.77Å; Y271-I274 HydrophobicContact CD1-CD1 4.35Å; Y271-I274 PolarHBondContact O-N 3.32Å; Y271-S275 PolarHBondContact O-N 2.93Å |
| 272 | L | 74.3 | Confident | 79.4 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 172.1 | -71.8 | 173.6 | 0 | 0 | 0 | 112 | N24 A259 A268 S269 T270 S275 | N24-L272 PolarHBondContact ND2-O 2.86Å; A259-L272 HydrophobicContact CB-CD2 3.85Å; A259-L272 HydrophobicContact CB-CG 3.83Å; A268-L272 WeakPolarHBondContact O-CG 3.37Å; A268-L272 PolarHBondContact O-N 2.89Å; S269-L272 WeakPolarHBondContact O-CB 3.27Å; S269-L272 PolarHBondContact O-N 3.1Å; S269-L272 VanDerWaalsContact O-N 3.11Å; T270-L272 PolarHBondContact O-N 3.27Å; L272-S275 WeakPolarHBondContact O-CB 3.32Å; L272-S275 PolarHBondContact O-N 3.48Å; L272-S275 PolarHBondContact O-OG 2.93Å |
| 273 | L | 79.9 | Confident | 80.3 | Confident | 64 Ų | 64 | 46 Ų | 46 | 34% | 0.335 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 174.2 | -173.1 | 142.8 | 0 | 0 | 0 | 111.1 | F23 S269 T270 Y271 S275 C276 | F23-L273 HydrophobicContact CD1-CD1 4.08Å; F23-L273 HydrophobicContact CE1-CD1 3.96Å; S269-L273 PolarHBondContact O-N 3.44Å; T270-L273 WeakPolarHBondContact O-CB 3.16Å; T270-L273 PolarHBondContact O-N 3.01Å; Y271-L273 VanDerWaalsContact C-N 3.32Å; Y271-L273 PolarHBondContact O-N 2.77Å; L273-S275 PolarHBondContact O-N 2.85Å; L273-C276 WeakPolarHBondContact O-CB 3.27Å; L273-C276 PolarHBondContact O-N 3.26Å; L273-C276 VanDerWaalsContact O-N 3.09Å; L273-C276 PolarHBondContact O-SG 2.67Å |
| 274 | I | 84 | Confident | 81.2 | Confident | 70 Ų | 70 | 43 Ų | 43 | 36% | 0.359 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -31.8 | 174.3 | -63.6 | 167.1 | 0 | 0 | 0 | 111 | V251 A255 T270 Y271 C276 A277 | V251-I274 HydrophobicContact CG1-CG2 3.9Å; A255-I274 HydrophobicContact CB-CB 3.81Å; A255-I274 HydrophobicContact CB-CG2 3.59Å; T270-I274 HydrophobicContact CG2-CD1 4.23Å; T270-I274 WeakPolarHBondContact O-CG1 3.16Å; T270-I274 PolarHBondContact O-N 3.38Å; Y271-I274 HydrophobicContact CD1-CD1 4.35Å; Y271-I274 PolarHBondContact O-N 3.32Å; I274-C276 PolarHBondContact O-N 3.44Å; I274-C276 VanDerWaalsContact O-N 3.07Å; I274-A277 WeakPolarHBondContact O-CB 3.41Å; I274-A277 PolarHBondContact O-N 3.39Å |
| 275 | S | 79.6 | Confident | 81.9 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -21.6 | 176.9 | 86.1 | 0 | 0 | 0 | 0 | 113.7 | G252 Y271 L272 L273 A277 N278 | G252-S275 WeakPolarHBondContact O-CB 3.46Å; Y271-S275 PolarHBondContact O-N 2.93Å; L272-S275 WeakPolarHBondContact O-CB 3.32Å; L272-S275 PolarHBondContact O-N 3.48Å; L272-S275 PolarHBondContact O-OG 2.93Å; L273-S275 PolarHBondContact O-N 2.85Å; S275-A277 PolarHBondContact O-N 3.02Å; S275-A277 VanDerWaalsContact O-N 3.1Å; S275-N278 PolarHBondContact O-N 3.09Å |
| 276 | C | 79.6 | Confident | 83.2 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -62.3 | -13.5 | 172 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | N24 L273 I274 N278 S279 | N24-C276 PolarHBondContact OD1-SG 2.95Å; L273-C276 WeakPolarHBondContact O-CB 3.27Å; L273-C276 PolarHBondContact O-N 3.26Å; L273-C276 VanDerWaalsContact O-N 3.09Å; L273-C276 PolarHBondContact O-SG 2.67Å; I274-C276 PolarHBondContact O-N 3.44Å; I274-C276 VanDerWaalsContact O-N 3.07Å; C276-N278 PolarHBondContact O-N 2.9Å; C276-N278 VanDerWaalsContact O-N 3.11Å; C276-S279 WeakPolarHBondContact O-CB 3.43Å; C276-S279 PolarHBondContact O-N 3.48Å |
| 277 | A | 84.5 | Confident | 84.2 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -50 | -32.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | T248 V251 I274 S275 S279 F280 | T248-A277 WeakPolarHBondContact CB-O 3.47Å; V251-A277 HydrophobicContact CB-CB 4.14Å; V251-A277 HydrophobicContact CG1-CB 3.66Å; I274-A277 WeakPolarHBondContact O-CB 3.41Å; I274-A277 PolarHBondContact O-N 3.39Å; S275-A277 PolarHBondContact O-N 3.02Å; S275-A277 VanDerWaalsContact O-N 3.1Å; A277-S279 PolarHBondContact O-N 3.49Å; A277-F280 WeakPolarHBondContact O-CB 3.18Å; A277-F280 PolarHBondContact O-N 3.35Å |
| 278 | N | 82.9 | Confident | 84.9 | Confident | 62 Ų | 62 | 37.4 Ų | 37.4 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -55.9 | -38 | 175 | -76.8 | -8.5 | 0 | 0 | 0 | 112.5 | T248 M249 G252 N253 S275 C276 F280 G281 | T248-N278 PolarHBondContact O-OD1 3.47Å; M249-N278 VanDerWaalsContact CA-OD1 3.24Å; M249-N278 WeakPolarHBondContact CA-OD1 3.44Å; M249-N278 PolarHBondContact O-OD1 2.67Å; G252-N278 VanDerWaalsContact CA-OD1 3.24Å; G252-N278 WeakPolarHBondContact CA-OD1 3.28Å; N253-N278 PolarHBondContact OD1-ND2 3.48Å; S275-N278 PolarHBondContact O-N 3.09Å; C276-N278 PolarHBondContact O-N 2.9Å; C276-N278 VanDerWaalsContact O-N 3.11Å; N278-F280 PolarHBondContact O-N 2.87Å; N278-G281 PolarHBondContact O-N 2.89Å |
| 279 | S | 80 | Confident | 86 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -69.4 | -22.2 | -179.7 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | V35 C276 A277 G281 | V35-S279 WeakPolarHBondContact CG2-O 3.27Å; C276-S279 WeakPolarHBondContact O-CB 3.43Å; C276-S279 PolarHBondContact O-N 3.48Å; A277-S279 PolarHBondContact O-N 3.49Å; S279-G281 PolarHBondContact O-N 2.82Å |
| 280 | F | 88.6 | Confident | 87.1 | Confident | 85 Ų | 85 | 37.9 Ų | 37.9 | 37% | 0.373 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -73.4 | -15.8 | 176.7 | -73.2 | -91.4 | 0 | 0 | 0 | 113 | L31 T248 A277 N278 G282 L283 V284 | L31-F280 HydrophobicContact CD1-CD2 4.49Å; L31-F280 HydrophobicContact CD1-CE2 3.82Å; L31-F280 HydrophobicContact CD1-CZ 3.92Å; L31-F280 HydrophobicContact CD2-CE1 4.27Å; L31-F280 HydrophobicContact CD2-CZ 4.2Å; T248-F280 HydrophobicContact CG2-CB 4.29Å; A277-F280 WeakPolarHBondContact O-CB 3.18Å; A277-F280 PolarHBondContact O-N 3.35Å; N278-F280 PolarHBondContact O-N 2.87Å; F280-G282 VanDerWaalsContact C-N 3.27Å; F280-G282 PolarHBondContact O-N 3.41Å; F280-L283 HydrophobicContact CD1-CD1 3.8Å; F280-L283 HydrophobicContact CE1-CD1 4.15Å; F280-L283 WeakPolarHBondContact O-CB 3.33Å; F280-L283 PolarHBondContact O-N 2.75Å; F280-V284 WeakPolarHBondContact O-CG2 3.28Å; F280-V284 PolarHBondContact O-N 2.92Å |
| 281 | G | 90.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.3 | -43.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y68 T248 N278 S279 V284 H285 | Y68-G281 VanDerWaalsContact CE1-C 3.48Å; T248-G281 WeakPolarHBondContact OG1-CA 3.43Å; N278-G281 PolarHBondContact O-N 2.89Å; S279-G281 PolarHBondContact O-N 2.82Å; G281-V284 PolarHBondContact O-N 3.49Å; G281-H285 VanDerWaalsContact O-CB 3.29Å; G281-H285 WeakPolarHBondContact O-CB 3.2Å; G281-H285 PolarHBondContact O-N 3.2Å |
| 282 | G | 91.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.4 | -29.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N39 F280 F286 | N39-G282 PolarHBondContact ND2-O 3.41Å; F280-G282 VanDerWaalsContact C-N 3.27Å; F280-G282 PolarHBondContact O-N 3.41Å; G282-F286 WeakPolarHBondContact O-CB 3.42Å; G282-F286 PolarHBondContact O-N 2.96Å |
| 283 | L | 93.6 | Very high | 88.9 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.5 | -50 | 172.1 | -63.3 | -178.7 | 0 | 0 | 0 | 110.4 | L31 V34 V35 I38 F280 H285 F286 L287 | L31-L283 HydrophobicContact CD2-CD1 4.12Å; V34-L283 HydrophobicContact CG1-CD2 3.75Å; V35-L283 HydrophobicContact CG2-CD2 3.67Å; V35-L283 HydrophobicContact CG2-CG 3.63Å; I38-L283 HydrophobicContact CD1-CD2 3.47Å; I38-L283 VanDerWaalsContact CD1-CD2 3.47Å; F280-L283 HydrophobicContact CD1-CD1 3.8Å; F280-L283 HydrophobicContact CE1-CD1 4.15Å; F280-L283 WeakPolarHBondContact O-CB 3.33Å; F280-L283 PolarHBondContact O-N 2.75Å; L283-H285 VanDerWaalsContact C-N 3.32Å; L283-H285 PolarHBondContact O-N 3.23Å; L283-F286 PolarHBondContact O-N 3.34Å; L283-L287 WeakPolarHBondContact O-CB 3.12Å; L283-L287 VanDerWaalsContact O-CG 3.27Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 2.74Å |
| 284 | V | 94 | Very high | 89.3 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 29% | 0.291 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59 | -45.9 | 179.5 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | T248 F280 G281 L287 I288 | T248-V284 HydrophobicContact CG2-CG2 4.47Å; F280-V284 WeakPolarHBondContact O-CG2 3.28Å; F280-V284 PolarHBondContact O-N 2.92Å; G281-V284 PolarHBondContact O-N 3.49Å; V284-L287 PolarHBondContact O-N 2.91Å; V284-I288 HydrophobicContact CG1-CD1 3.62Å; V284-I288 HydrophobicContact CG1-CG1 4.37Å; V284-I288 WeakPolarHBondContact O-CB 3.38Å; V284-I288 WeakPolarHBondContact O-CG1 3.45Å; V284-I288 PolarHBondContact O-N 3.4Å |
| 285 | H | 94.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.4 | -54.2 | 175 | 175.1 | 78.8 | 0 | 0 | 0 | 112.1 | I64 Y68 G281 L283 L287 I288 L289 | I64-H285 WeakPolarHBondContact CG2-CE1 3.47Å; Y68-H285 HydrophobicContact CD2-CB 3.92Å; Y68-H285 AromaticContact CD2-CD2 3.4Å; Y68-H285 WeakPolarHBondContact CD2-CD2 3.16Å; Y68-H285 AromaticContact CD2-CG 3.58Å; Y68-H285 AromaticContact CD2-NE2 3.93Å; Y68-H285 HydrophobicContact CE1-CB 4.46Å; Y68-H285 HydrophobicContact CE2-CB 3.42Å; Y68-H285 VanDerWaalsContact CE2-CB 3.42Å; Y68-H285 AromaticContact CE2-CD2 3.52Å; Y68-H285 AromaticContact CE2-CE1 3.95Å; Y68-H285 AromaticContact CE2-CG 3.19Å; Y68-H285 AromaticContact CE2-ND1 3.49Å; Y68-H285 WeakPolarHBondContact CE2-ND1 3.23Å; Y68-H285 AromaticContact CE2-NE2 3.99Å; Y68-H285 AromaticContact CZ-CG 3.99Å; G281-H285 VanDerWaalsContact O-CB 3.29Å; G281-H285 WeakPolarHBondContact O-CB 3.2Å; G281-H285 PolarHBondContact O-N 3.2Å; L283-H285 VanDerWaalsContact C-N 3.32Å; L283-H285 PolarHBondContact O-N 3.23Å; H285-L287 PolarHBondContact O-N 2.61Å; H285-I288 PolarHBondContact O-N 3.26Å; H285-L289 WeakPolarHBondContact NE2-CD1 3.44Å; H285-L289 WeakPolarHBondContact O-CG 3.33Å; H285-L289 PolarHBondContact O-N 3.46Å |
| 286 | F | 94.8 | Very high | 89.9 | Confident | 19 Ų | 19 | 42 Ų | 42 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | -178.8 | -175.9 | -87.8 | 0 | 0 | 0 | 111.9 | I38 G282 L283 I288 L289 F290 F296 V300 | I38-F286 HydrophobicContact CB-CD1 4.28Å; I38-F286 HydrophobicContact CB-CD2 4.07Å; I38-F286 HydrophobicContact CB-CE1 4.31Å; I38-F286 HydrophobicContact CB-CE2 4.11Å; I38-F286 HydrophobicContact CB-CG 4.16Å; I38-F286 HydrophobicContact CB-CZ 4.22Å; I38-F286 HydrophobicContact CD1-CB 3.67Å; I38-F286 HydrophobicContact CD1-CD1 3.9Å; I38-F286 HydrophobicContact CD1-CD2 4.37Å; I38-F286 HydrophobicContact CD1-CG 3.72Å; I38-F286 HydrophobicContact CG1-CB 4.14Å; I38-F286 HydrophobicContact CG1-CD1 4.33Å; I38-F286 HydrophobicContact CG1-CD2 4.05Å; I38-F286 HydrophobicContact CG1-CG 3.91Å; I38-F286 WeakPolarHBondContact O-CD2 3.14Å; I38-F286 WeakPolarHBondContact O-CE2 3.48Å; G282-F286 WeakPolarHBondContact O-CB 3.42Å; G282-F286 PolarHBondContact O-N 2.96Å; L283-F286 PolarHBondContact O-N 3.34Å; F286-I288 PolarHBondContact O-N 3.29Å; F286-L289 PolarHBondContact O-N 3.49Å; F286-F290 HydrophobicContact CD1-CB 4.47Å; F286-F290 HydrophobicContact CE1-CB 4.26Å; F286-F290 HydrophobicContact CE1-CD2 4.14Å; F286-F290 HydrophobicContact CE1-CG 4.37Å; F286-F290 HydrophobicContact CZ-CD2 4.27Å; F286-F290 VanDerWaalsContact O-CB 3.28Å; F286-F290 WeakPolarHBondContact O-CB 3.45Å; F286-F290 PolarHBondContact O-N 2.91Å; F286-F296 HydrophobicContact CD2-CE1 4.03Å; F286-F296 AromaticContact CD2-CZ 3.83Å; F286-F296 HydrophobicContact CD2-CZ 3.83Å; F286-F296 AromaticContact CE2-CE1 3.73Å; F286-F296 HydrophobicContact CE2-CE1 3.73Å; F286-F296 AromaticContact CE2-CZ 3.65Å; F286-F296 HydrophobicContact CE2-CZ 3.65Å; F286-F296 HydrophobicContact CZ-CE1 4.12Å; F286-F296 HydrophobicContact CZ-CZ 4.46Å; F286-V300 HydrophobicContact CZ-CG1 4.23Å |
| 287 | L | 95.3 | Very high | 90.4 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 45% | 0.445 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 179.1 | -69.4 | 173.4 | 0 | 0 | 0 | 111.7 | L283 V284 H285 L289 F290 Y291 | L283-L287 WeakPolarHBondContact O-CB 3.12Å; L283-L287 VanDerWaalsContact O-CG 3.27Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 2.74Å; V284-L287 PolarHBondContact O-N 2.91Å; H285-L287 PolarHBondContact O-N 2.61Å; L287-L289 PolarHBondContact O-N 3.24Å; L287-F290 PolarHBondContact O-N 3.1Å; L287-Y291 HydrophobicContact CB-CD2 4.44Å; L287-Y291 HydrophobicContact CB-CE2 4.49Å; L287-Y291 HydrophobicContact CD2-CE2 4.05Å; L287-Y291 WeakPolarHBondContact O-CD2 3.47Å; L287-Y291 PolarHBondContact O-N 3.15Å |
| 288 | I | 94.7 | Very high | 90.6 | Very high | 32 Ų | 32 | 49 Ų | 49 | 16% | 0.164 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.6 | -47.8 | 176.6 | -70.7 | 167.5 | 0 | 0 | 0 | 110.1 | T237 Y240 T241 V284 H285 F286 R292 | T237-I288 HydrophobicContact CG2-CG2 3.99Å; Y240-I288 WeakPolarHBondContact O-CD1 3.33Å; T241-I288 HydrophobicContact CG2-CB 4.01Å; T241-I288 HydrophobicContact CG2-CG2 3.6Å; V284-I288 HydrophobicContact CG1-CD1 3.62Å; V284-I288 HydrophobicContact CG1-CG1 4.37Å; V284-I288 WeakPolarHBondContact O-CB 3.38Å; V284-I288 WeakPolarHBondContact O-CG1 3.45Å; V284-I288 PolarHBondContact O-N 3.4Å; H285-I288 PolarHBondContact O-N 3.26Å; F286-I288 PolarHBondContact O-N 3.29Å; I288-R292 HydrophobicContact CG2-CG 4.42Å; I288-R292 WeakPolarHBondContact O-CB 3.3Å; I288-R292 VanDerWaalsContact O-CG 3.28Å; I288-R292 WeakPolarHBondContact O-CG 3.32Å; I288-R292 PolarHBondContact O-N 3.1Å |
| 289 | L | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 177.7 | -68.6 | -176.5 | 0 | 0 | 0 | 111.8 | I61 T237 T241 H285 F286 L287 Y291 R292 M293 F296 | I61-L289 HydrophobicContact CG2-CD1 3.65Å; I61-L289 HydrophobicContact CG2-CD2 4.18Å; T237-L289 HydrophobicContact CG2-CD2 4.29Å; T241-L289 HydrophobicContact CG2-CD2 4.13Å; T241-L289 HydrophobicContact CG2-CG 4.3Å; H285-L289 WeakPolarHBondContact NE2-CD1 3.44Å; H285-L289 WeakPolarHBondContact O-CG 3.33Å; H285-L289 PolarHBondContact O-N 3.46Å; F286-L289 PolarHBondContact O-N 3.49Å; L287-L289 PolarHBondContact O-N 3.24Å; L289-Y291 PolarHBondContact O-N 2.9Å; L289-R292 PolarHBondContact O-N 2.85Å; L289-M293 HydrophobicContact CD2-CE 3.64Å; L289-M293 WeakPolarHBondContact O-CA 3.29Å; L289-M293 VanDerWaalsContact O-CB 3.26Å; L289-M293 WeakPolarHBondContact O-CB 3.41Å; L289-M293 PolarHBondContact O-N 3.23Å; L289-F296 HydrophobicContact CB-CD1 3.82Å; L289-F296 HydrophobicContact CB-CD2 4.43Å; L289-F296 HydrophobicContact CB-CE1 3.92Å; L289-F296 HydrophobicContact CB-CG 4.08Å; L289-F296 HydrophobicContact CB-CZ 4.28Å; L289-F296 HydrophobicContact CD1-CD2 4.34Å; L289-F296 HydrophobicContact CD1-CE2 4.07Å; L289-F296 HydrophobicContact CD1-CZ 4.25Å |
| 290 | F | 93.2 | Very high | 91.5 | Very high | 38 Ų | 38 | 45 Ų | 45 | 17% | 0.167 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | -178.3 | -167.7 | -93.6 | 0 | 0 | 0 | 112.9 | F286 L287 F296 H297 V300 L301 | F286-F290 HydrophobicContact CD1-CB 4.47Å; F286-F290 HydrophobicContact CE1-CB 4.26Å; F286-F290 HydrophobicContact CE1-CD2 4.14Å; F286-F290 HydrophobicContact CE1-CG 4.37Å; F286-F290 HydrophobicContact CZ-CD2 4.27Å; F286-F290 VanDerWaalsContact O-CB 3.28Å; F286-F290 WeakPolarHBondContact O-CB 3.45Å; F286-F290 PolarHBondContact O-N 2.91Å; L287-F290 PolarHBondContact O-N 3.1Å; F290-F296 HydrophobicContact CB-CD1 4.36Å; F290-F296 HydrophobicContact CB-CE1 4.34Å; F290-F296 HydrophobicContact CD2-CD1 4.48Å; F290-F296 HydrophobicContact CD2-CE1 4.46Å; F290-H297 AromaticContact CE1-CD2 3.59Å; F290-H297 AromaticContact CE1-NE2 3.64Å; F290-H297 AromaticContact CE2-CD2 3.46Å; F290-H297 VanDerWaalsContact CE2-CD2 3.46Å; F290-H297 WeakPolarHBondContact CE2-CD2 3.13Å; F290-H297 AromaticContact CZ-CD2 3.17Å; F290-H297 WeakPolarHBondContact CZ-CD2 3.42Å; F290-H297 AromaticContact CZ-NE2 3.45Å; F290-H297 WeakPolarHBondContact CZ-NE2 3.46Å; F290-H297 WeakPolarHBondContact O-CB 3.37Å; F290-V300 HydrophobicContact CD2-CB 4.4Å; F290-V300 HydrophobicContact CD2-CG1 4.25Å; F290-V300 HydrophobicContact CE2-CB 4.15Å; F290-V300 HydrophobicContact CE2-CG1 3.84Å; F290-L301 HydrophobicContact CZ-CD2 4.23Å; F290-L301 HydrophobicContact CZ-CG 4.39Å |
| 291 | Y | 93.1 | Very high | 91.6 | Very high | 178 Ų | 178 | 43 Ų | 43 | 70% | 0.698 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -83.2 | -27.1 | -179.9 | -72.6 | -63.3 | 0 | 0 | 0 | 114.3 | L287 L289 | L287-Y291 HydrophobicContact CB-CD2 4.44Å; L287-Y291 HydrophobicContact CB-CE2 4.49Å; L287-Y291 HydrophobicContact CD2-CE2 4.05Å; L287-Y291 WeakPolarHBondContact O-CD2 3.47Å; L287-Y291 PolarHBondContact O-N 3.15Å; L289-Y291 PolarHBondContact O-N 2.9Å |
| 292 | R | 91.3 | Very high | 91.5 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 32% | 0.317 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -102.1 | -27.5 | -171.8 | -64.9 | -78.2 | -65.6 | -177.8 | -6.4 | 114 | K233 T237 I288 L289 | K233-R292 WeakPolarHBondContact CE-O 3.48Å; T237-R292 HydrophobicContact CG2-CB 3.62Å; T237-R292 HydrophobicContact CG2-CG 4.37Å; I288-R292 HydrophobicContact CG2-CG 4.42Å; I288-R292 WeakPolarHBondContact O-CB 3.3Å; I288-R292 VanDerWaalsContact O-CG 3.28Å; I288-R292 WeakPolarHBondContact O-CG 3.32Å; I288-R292 PolarHBondContact O-N 3.1Å; L289-R292 PolarHBondContact O-N 2.85Å |
| 293 | M | 89.6 | Confident | 91.4 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 7% | 0.069 | 25% | 0.247 | C | C | . | . | trans | -109.4 | 99.5 | -174.8 | -168.9 | 178.2 | -56.5 | 0 | 0 | 110.5 | I61 L234 T237 L289 E295 F296 H297 | I61-M293 HydrophobicContact CD1-CE 3.56Å; I61-M293 HydrophobicContact CD1-SD 3.99Å; L234-M293 HydrophobicContact CD1-CE 3.65Å; T237-M293 HydrophobicContact CG2-CE 4.47Å; L289-M293 HydrophobicContact CD2-CE 3.64Å; L289-M293 WeakPolarHBondContact O-CA 3.29Å; L289-M293 VanDerWaalsContact O-CB 3.26Å; L289-M293 WeakPolarHBondContact O-CB 3.41Å; L289-M293 PolarHBondContact O-N 3.23Å; M293-E295 VanDerWaalsContact C-N 3.25Å; M293-E295 PolarHBondContact O-N 3.3Å; M293-F296 HydrophobicContact CB-CB 3.9Å; M293-F296 HydrophobicContact CG-CB 3.91Å; M293-F296 WeakPolarHBondContact O-CB 3.34Å; M293-F296 PolarHBondContact O-N 3.23Å; M293-F296 HydrophobicContact SD-CB 3.92Å; M293-H297 PolarHBondContact O-N 3.02Å | ||
| 294 | E | 87.5 | Confident | 91.1 | Very high | 104 Ų | 104 | 58 Ų | 58 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.9 | -37.9 | -177.8 | -71.7 | 159.5 | -139.3 | 0 | 0 | 112.3 | K233 F298 | K233-E294 IonicContact NZ-OE1 3.19Å; K233-E294 PolarHBondContact NZ-OE1 3.21Å; E294-F298 VanDerWaalsContact O-CB 3.3Å; E294-F298 WeakPolarHBondContact O-CB 3.02Å; E294-F298 PolarHBondContact O-N 3.48Å |
| 295 | E | 86.2 | Confident | 90.3 | Very high | 37 Ų | 37 | 58 Ų | 58 | 17% | 0.173 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 176.2 | -62.9 | 105 | 141.1 | 0 | 0 | 112.6 | L52 R55 M293 F298 V299 Y319 | L52-E295 HydrophobicContact CD2-CB 4.1Å; L52-E295 HydrophobicContact CD2-CG 4.35Å; R55-E295 IonicContact NH1-OE1 2.67Å; M293-E295 VanDerWaalsContact C-N 3.25Å; M293-E295 PolarHBondContact O-N 3.3Å; E295-F298 PolarHBondContact O-N 2.89Å; E295-V299 WeakPolarHBondContact O-CG1 3.48Å; E295-V299 WeakPolarHBondContact O-CG2 3.44Å; E295-V299 PolarHBondContact O-N 2.84Å; E295-V299 VanDerWaalsContact O-N 3.08Å; E295-Y319 WeakPolarHBondContact OE1-CD2 3.2Å; E295-Y319 WeakPolarHBondContact OE1-CE2 3.42Å |
| 296 | F | 89.5 | Confident | 88.8 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -49.4 | 177.9 | -175.6 | -92.3 | 0 | 0 | 0 | 110.7 | M46 F286 L289 F290 M293 F298 V299 V300 | M46-F296 HydrophobicContact CG-CD2 3.83Å; M46-F296 HydrophobicContact CG-CE2 4.09Å; M46-F296 HydrophobicContact SD-CD2 3.53Å; M46-F296 VanDerWaalsContact SD-CD2 3.53Å; M46-F296 HydrophobicContact SD-CE2 3.79Å; F286-F296 HydrophobicContact CD2-CE1 4.03Å; F286-F296 AromaticContact CD2-CZ 3.83Å; F286-F296 HydrophobicContact CD2-CZ 3.83Å; F286-F296 AromaticContact CE2-CE1 3.73Å; F286-F296 HydrophobicContact CE2-CE1 3.73Å; F286-F296 AromaticContact CE2-CZ 3.65Å; F286-F296 HydrophobicContact CE2-CZ 3.65Å; F286-F296 HydrophobicContact CZ-CE1 4.12Å; F286-F296 HydrophobicContact CZ-CZ 4.46Å; L289-F296 HydrophobicContact CB-CD1 3.82Å; L289-F296 HydrophobicContact CB-CD2 4.43Å; L289-F296 HydrophobicContact CB-CE1 3.92Å; L289-F296 HydrophobicContact CB-CG 4.08Å; L289-F296 HydrophobicContact CB-CZ 4.28Å; L289-F296 HydrophobicContact CD1-CD2 4.34Å; L289-F296 HydrophobicContact CD1-CE2 4.07Å; L289-F296 HydrophobicContact CD1-CZ 4.25Å; F290-F296 HydrophobicContact CB-CD1 4.36Å; F290-F296 HydrophobicContact CB-CE1 4.34Å; F290-F296 HydrophobicContact CD2-CD1 4.48Å; F290-F296 HydrophobicContact CD2-CE1 4.46Å; M293-F296 HydrophobicContact CB-CB 3.9Å; M293-F296 HydrophobicContact CG-CB 3.91Å; M293-F296 WeakPolarHBondContact O-CB 3.34Å; M293-F296 PolarHBondContact O-N 3.23Å; M293-F296 HydrophobicContact SD-CB 3.92Å; F296-F298 VanDerWaalsContact C-N 3.32Å; F296-F298 PolarHBondContact O-N 3.48Å; F296-V299 VanDerWaalsContact O-CG2 3.26Å; F296-V299 WeakPolarHBondContact O-CG2 3.49Å; F296-V299 PolarHBondContact O-N 3.11Å; F296-V300 HydrophobicContact CD1-CG2 4.11Å; F296-V300 HydrophobicContact CE1-CG2 3.84Å; F296-V300 HydrophobicContact CZ-CG2 4.05Å; F296-V300 VanDerWaalsContact O-CG2 3.32Å; F296-V300 WeakPolarHBondContact O-CG2 3.32Å; F296-V300 PolarHBondContact O-N 3.49Å |
| 297 | H | 90.7 | Very high | 86.8 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -53 | -50 | 175.6 | -176.9 | -169.1 | 0 | 0 | 0 | 111.7 | F290 M293 V300 L301 | F290-H297 AromaticContact CE1-CD2 3.59Å; F290-H297 AromaticContact CE1-NE2 3.64Å; F290-H297 AromaticContact CE2-CD2 3.46Å; F290-H297 VanDerWaalsContact CE2-CD2 3.46Å; F290-H297 WeakPolarHBondContact CE2-CD2 3.13Å; F290-H297 AromaticContact CZ-CD2 3.17Å; F290-H297 WeakPolarHBondContact CZ-CD2 3.42Å; F290-H297 AromaticContact CZ-NE2 3.45Å; F290-H297 WeakPolarHBondContact CZ-NE2 3.46Å; F290-H297 WeakPolarHBondContact O-CB 3.37Å; M293-H297 PolarHBondContact O-N 3.02Å; H297-V300 PolarHBondContact O-N 3.26Å; H297-L301 WeakPolarHBondContact NE2-CD1 3.02Å; H297-L301 WeakPolarHBondContact O-CG 3.32Å; H297-L301 PolarHBondContact O-N 3.38Å |
| 298 | F | 89.2 | Confident | 84.4 | Confident | 106 Ų | 106 | 74.3 Ų | 74.3 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | -177.9 | 179.4 | -99.1 | 0 | 0 | 0 | 112.4 | E294 E295 F296 L301 R302 | E294-F298 VanDerWaalsContact O-CB 3.3Å; E294-F298 WeakPolarHBondContact O-CB 3.02Å; E294-F298 PolarHBondContact O-N 3.48Å; E295-F298 PolarHBondContact O-N 2.89Å; F296-F298 VanDerWaalsContact C-N 3.32Å; F296-F298 PolarHBondContact O-N 3.48Å; F298-L301 PolarHBondContact O-N 2.93Å; F298-R302 VanDerWaalsContact O-CB 3.29Å; F298-R302 WeakPolarHBondContact O-CB 3.39Å; F298-R302 PolarHBondContact O-N 3.11Å |
| 299 | V | 91 | Very high | 82 | Confident | 5 Ų | 5 | 81.2 Ų | 81.2 | 3% | 0.03 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.6 | -36.3 | -179.1 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | A45 M46 N49 L52 E295 F296 R302 L303 | A45-V299 HydrophobicContact CB-CB 4.15Å; A45-V299 HydrophobicContact CB-CG2 3.86Å; M46-V299 HydrophobicContact CG-CG2 4.3Å; N49-V299 HydrophobicContact CB-CG1 3.95Å; N49-V299 WeakPolarHBondContact ND2-CG1 3.38Å; L52-V299 HydrophobicContact CD1-CB 4.49Å; L52-V299 HydrophobicContact CD1-CG1 3.62Å; L52-V299 HydrophobicContact CD1-CG2 4.15Å; E295-V299 WeakPolarHBondContact O-CG1 3.48Å; E295-V299 WeakPolarHBondContact O-CG2 3.44Å; E295-V299 PolarHBondContact O-N 2.84Å; E295-V299 VanDerWaalsContact O-N 3.08Å; F296-V299 VanDerWaalsContact O-CG2 3.26Å; F296-V299 WeakPolarHBondContact O-CG2 3.49Å; F296-V299 PolarHBondContact O-N 3.11Å; V299-R302 PolarHBondContact O-N 2.92Å; V299-L303 WeakPolarHBondContact O-CB 3.48Å; V299-L303 PolarHBondContact O-N 3.45Å |
| 300 | V | 90.8 | Very high | 79.4 | Confident | 2 Ų | 2 | 87.1 Ų | 87.1 | 1% | 0.012 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.9 | -48.7 | 175.8 | 171 | 0 | 0 | 0 | 0 | 110.6 | L41 A45 F286 F290 F296 H297 R302 L303 I304 | L41-V300 HydrophobicContact CD2-CG1 4.05Å; L41-V300 HydrophobicContact CG-CG1 4.48Å; A45-V300 HydrophobicContact CB-CG2 3.96Å; F286-V300 HydrophobicContact CZ-CG1 4.23Å; F290-V300 HydrophobicContact CD2-CB 4.4Å; F290-V300 HydrophobicContact CD2-CG1 4.25Å; F290-V300 HydrophobicContact CE2-CB 4.15Å; F290-V300 HydrophobicContact CE2-CG1 3.84Å; F296-V300 HydrophobicContact CD1-CG2 4.11Å; F296-V300 HydrophobicContact CE1-CG2 3.84Å; F296-V300 HydrophobicContact CZ-CG2 4.05Å; F296-V300 VanDerWaalsContact O-CG2 3.32Å; F296-V300 WeakPolarHBondContact O-CG2 3.32Å; F296-V300 PolarHBondContact O-N 3.49Å; H297-V300 PolarHBondContact O-N 3.26Å; V300-R302 VanDerWaalsContact C-N 3.29Å; V300-R302 PolarHBondContact O-N 2.69Å; V300-L303 PolarHBondContact O-N 3.44Å; V300-L303 VanDerWaalsContact O-N 3.14Å; V300-I304 HydrophobicContact CG1-CD1 3.84Å; V300-I304 WeakPolarHBondContact O-CG1 3.09Å; V300-I304 PolarHBondContact O-N 3.18Å |
| 301 | L | 90.7 | Very high | 76.9 | Confident | 44 Ų | 44 | 91.5 Ų | 91.5 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 177 | -75.2 | -175.4 | 0 | 0 | 0 | 112.7 | F290 H297 F298 L303 I304 G305 K306 | F290-L301 HydrophobicContact CZ-CD2 4.23Å; F290-L301 HydrophobicContact CZ-CG 4.39Å; H297-L301 WeakPolarHBondContact NE2-CD1 3.02Å; H297-L301 WeakPolarHBondContact O-CG 3.32Å; H297-L301 PolarHBondContact O-N 3.38Å; F298-L301 PolarHBondContact O-N 2.93Å; L301-L303 VanDerWaalsContact C-N 3.31Å; L301-L303 PolarHBondContact O-N 2.9Å; L301-I304 PolarHBondContact O-N 3.07Å; L301-G305 PolarHBondContact O-N 3.34Å; L301-K306 HydrophobicContact CD2-CD 4.21Å; L301-K306 PolarHBondContact O-N 3.45Å |
| 302 | R | 87.8 | Confident | 74.3 | Confident | 173 Ų | 173 | 87.8 Ų | 87.8 | 65% | 0.653 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 175.9 | -173.7 | 178.2 | -175.4 | 175.6 | 3.4 | 111.5 | F298 V299 V300 G305 | F298-R302 VanDerWaalsContact O-CB 3.29Å; F298-R302 WeakPolarHBondContact O-CB 3.39Å; F298-R302 PolarHBondContact O-N 3.11Å; V299-R302 PolarHBondContact O-N 2.92Å; V300-R302 VanDerWaalsContact C-N 3.29Å; V300-R302 PolarHBondContact O-N 2.69Å; R302-G305 PolarHBondContact O-N 3.46Å |
| 303 | L | 88.7 | Confident | 71.9 | Confident | 79 Ų | 79 | 89.4 Ų | 89.4 | 41% | 0.414 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 178.8 | -173.5 | 63.3 | 0 | 0 | 0 | 112.3 | L41 V44 A45 V299 V300 L301 G305 | L41-L303 HydrophobicContact CD1-CD2 3.52Å; L41-L303 HydrophobicContact CD1-CG 4.03Å; L41-L303 HydrophobicContact CG-CD2 4.32Å; V44-L303 HydrophobicContact CB-CD2 4.11Å; V44-L303 HydrophobicContact CG1-CD1 4.49Å; V44-L303 HydrophobicContact CG1-CD2 3.84Å; A45-L303 HydrophobicContact CB-CB 4.18Å; A45-L303 HydrophobicContact CB-CD2 3.76Å; V299-L303 WeakPolarHBondContact O-CB 3.48Å; V299-L303 PolarHBondContact O-N 3.45Å; V300-L303 PolarHBondContact O-N 3.44Å; V300-L303 VanDerWaalsContact O-N 3.14Å; L301-L303 VanDerWaalsContact C-N 3.31Å; L301-L303 PolarHBondContact O-N 2.9Å; L303-G305 PolarHBondContact O-N 3.27Å; L303-G305 VanDerWaalsContact O-N 3.08Å |
| 304 | I | 88.3 | Confident | 69.5 | Low | 93 Ų | 93 | 95.2 Ų | 95.2 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -4 | 176.7 | -60.5 | 165.5 | 0 | 0 | 0 | 112.1 | L41 V300 L301 K306 | L41-I304 HydrophobicContact CD1-CG1 4.33Å; L41-I304 HydrophobicContact CD2-CD1 3.84Å; L41-I304 HydrophobicContact CD2-CG1 3.89Å; V300-I304 HydrophobicContact CG1-CD1 3.84Å; V300-I304 WeakPolarHBondContact O-CG1 3.09Å; V300-I304 PolarHBondContact O-N 3.18Å; L301-I304 PolarHBondContact O-N 3.07Å; I304-K306 VanDerWaalsContact C-N 3.28Å; I304-K306 PolarHBondContact O-N 2.98Å |
| 305 | G | 75.5 | Confident | 67.4 | Low | 49 Ų | 49 | 96.6 Ų | 96.6 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 13.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L301 R302 L303 K307 | L301-G305 PolarHBondContact O-N 3.34Å; R302-G305 PolarHBondContact O-N 3.46Å; L303-G305 PolarHBondContact O-N 3.27Å; L303-G305 VanDerWaalsContact O-N 3.08Å; G305-K307 PolarHBondContact O-N 2.92Å |
| 306 | K | 62.9 | Low | 65.1 | Low | 148 Ų | 148 | 103.8 Ų | 103.8 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | trans | -72 | 72 | 166.2 | -77.1 | -172 | 173.6 | -178.4 | 0 | 109.4 | L301 I304 S308 | L301-K306 HydrophobicContact CD2-CD 4.21Å; L301-K306 PolarHBondContact O-N 3.45Å; I304-K306 VanDerWaalsContact C-N 3.28Å; I304-K306 PolarHBondContact O-N 2.98Å; K306-S308 PolarHBondContact O-N 2.86Å | ||
| 307 | K | 52.9 | Low | 62.9 | Low | 188 Ų | 188 | 104.7 Ų | 104.7 | 82% | 0.817 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 8.5 | 179.3 | -83.1 | -177.5 | 175.1 | 177.9 | 0 | 114.9 | G305 | G305-K307 PolarHBondContact O-N 2.92Š|
| 308 | S | 44.7 | Very low | 60.5 | Low | 114 Ų | 114 | 106 Ų | 106 | 80% | 0.797 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 7.6 | -172.9 | -169.6 | 0 | 0 | 0 | 0 | 115.8 | K306 | K306-S308 PolarHBondContact O-N 2.86Š|
| 309 | F | 45.3 | Very low | 58.4 | Low | 177 Ų | 177 | 103 Ų | 103 | 78% | 0.776 | 54% | 0.54 | S | S | * | . | trans | -111 | 63.1 | 169.8 | -111.4 | -90.6 | 0 | 0 | 0 | 110.6 | ||||
| 310 | V | 39.1 | Very low | 55.9 | Low | 124 Ų | 124 | 107.4 Ų | 107.4 | 75% | 0.752 | 56% | 0.563 | S | S | * | * | trans | -120.6 | 61.3 | 172.9 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 311 | V | 40 | Very low | 53.3 | Low | 130 Ų | 130 | 112.3 Ų | 112.3 | 79% | 0.788 | 59% | 0.587 | S | S | * | * | trans | -152.5 | 78.4 | 154.3 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 312 | N | 37.8 | Very low | 51.1 | Low | 100 Ų | 100 | 113 Ų | 113 | 54% | 0.535 | 59% | 0.59 | S | S | . | * | trans | -154.9 | 91.8 | 136.5 | -136.1 | -28.9 | 0 | 0 | 0 | 109.9 | N314 L315 | N312-N314 PolarHBondContact O-N 3.29Å; N312-L315 HydrophobicContact CB-CD1 4.45Å; N312-L315 PolarHBondContact O-N 3.47Å | ||
| 313 | P | 41.5 | Very low | 48.9 | Very low | 118 Ų | 118 | 109.5 Ų | 109.5 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -2.9 | 170.9 | 24.1 | -31.1 | 0 | 0 | 0 | 113.3 | ||
| 314 | N | 40.3 | Very low | 46.5 | Very low | 136 Ų | 136 | 108.6 Ų | 108.6 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 1.6 | 171.3 | -68.2 | -35.4 | 0 | 0 | 0 | 115.2 | N312 R316 | N312-N314 PolarHBondContact O-N 3.29Å; N314-R316 PolarHBondContact O-N 2.91Å |
| 315 | L | 43.5 | Very low | 44.2 | Very low | 133 Ų | 133 | 107.3 Ų | 107.3 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | trans | -76.4 | 47.1 | 158.2 | -98.8 | 126.7 | 0 | 0 | 0 | 110.6 | N312 S317 | N312-L315 HydrophobicContact CB-CD1 4.45Å; N312-L315 PolarHBondContact O-N 3.47Å; L315-S317 PolarHBondContact O-N 3.42Å | ||
| 316 | R | 37.2 | Very low | 42.4 | Very low | 189 Ų | 189 | 114.5 Ų | 114.5 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -66 | 78.7 | 149.8 | -163.2 | -176 | -145.2 | -159 | 7.9 | 105.2 | N314 S318 | N314-R316 PolarHBondContact O-N 2.91Å; R316-S318 PolarHBondContact O-N 3.34Å |
| 317 | S | 42.5 | Very low | 41.3 | Very low | 19 Ų | 19 | 117.6 Ų | 117.6 | 13% | 0.133 | 62% | 0.619 | C | S | . | * | trans | -12.8 | 115.8 | -173.2 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | L315 Y319 L320 | L315-S317 PolarHBondContact O-N 3.42Å; S317-Y319 PolarHBondContact O-N 3.33Å; S317-Y319 VanDerWaalsContact OG-C 3.31Å; S317-Y319 VanDerWaalsContact OG-CA 3.28Å; S317-Y319 WeakPolarHBondContact OG-CA 3.4Å; S317-Y319 VanDerWaalsContact OG-CB 3.28Å; S317-Y319 WeakPolarHBondContact OG-CB 3.48Å; S317-Y319 PolarHBondContact OG-N 2.9Å; S317-L320 VanDerWaalsContact CB-CD1 3.5Å; S317-L320 VanDerWaalsContact CB-CG 3.46Å; S317-L320 WeakPolarHBondContact O-CB 3.44Å; S317-L320 PolarHBondContact O-N 3.11Å; S317-L320 PolarHBondContact OG-N 3.06Å | ||
| 318 | S | 41.6 | Very low | 40.6 | Very low | 100 Ų | 100 | 113.8 Ų | 113.8 | 70% | 0.699 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -8 | 166.2 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | Q230 R316 | Q230-S318 PolarHBondContact NE2-O 2.98Å; Q230-S318 PolarHBondContact OE1-O 3.48Å; R316-S318 PolarHBondContact O-N 3.34Å |
| 319 | Y | 43.9 | Very low | 40.2 | Very low | 42 Ų | 42 | 111.3 Ų | 111.3 | 17% | 0.165 | 60% | 0.599 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -97.1 | -13.9 | 167.9 | -59.5 | -101 | 0 | 0 | 0 | 114.6 | Q230 E295 S317 M321 I322 | Q230-Y319 HydrophobicContact CB-CE1 4.38Å; Q230-Y319 VanDerWaalsContact CD-CG 3.48Å; Q230-Y319 HydrophobicContact CG-CD1 3.39Å; Q230-Y319 HydrophobicContact CG-CE1 2.92Å; Q230-Y319 HydrophobicContact CG-CE2 4.15Å; Q230-Y319 HydrophobicContact CG-CG 4.17Å; E295-Y319 WeakPolarHBondContact OE1-CD2 3.2Å; E295-Y319 WeakPolarHBondContact OE1-CE2 3.42Å; S317-Y319 PolarHBondContact O-N 3.33Å; S317-Y319 VanDerWaalsContact OG-C 3.31Å; S317-Y319 VanDerWaalsContact OG-CA 3.28Å; S317-Y319 WeakPolarHBondContact OG-CA 3.4Å; S317-Y319 VanDerWaalsContact OG-CB 3.28Å; S317-Y319 WeakPolarHBondContact OG-CB 3.48Å; S317-Y319 PolarHBondContact OG-N 2.9Å; Y319-M321 PolarHBondContact O-N 2.75Å; Y319-I322 PolarHBondContact O-N 2.94Å |
| 320 | L | 38.8 | Very low | 39.8 | Very low | 98 Ų | 98 | 107.3 Ų | 107.3 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.6 | -6.8 | 177.9 | -91.7 | 163.9 | 0 | 0 | 0 | 113.7 | S317 | S317-L320 VanDerWaalsContact CB-CD1 3.5Å; S317-L320 VanDerWaalsContact CB-CG 3.46Å; S317-L320 WeakPolarHBondContact O-CB 3.44Å; S317-L320 PolarHBondContact O-N 3.11Å; S317-L320 PolarHBondContact OG-N 3.06Å |
| 321 | M | 36.4 | Very low | 39.8 | Very low | 105 Ų | 105 | 105.6 Ų | 105.6 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.3 | -0.9 | 177.2 | -77 | -88.1 | -162.3 | 0 | 0 | 114 | K227 Y319 | K227-M321 VanDerWaalsContact CE-O 3.31Å; K227-M321 WeakPolarHBondContact CE-O 3.26Å; K227-M321 PolarHBondContact NZ-O 3.11Å; Y319-M321 PolarHBondContact O-N 2.75Å |
| 322 | I | 43.9 | Very low | 39.8 | Very low | 57 Ų | 57 | 107.5 Ų | 107.5 | 29% | 0.292 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -86.7 | -20.4 | -177.3 | -65 | -168.2 | 0 | 0 | 0 | 112.9 | K227 Y319 | K227-I322 HydrophobicContact CB-CD1 3.91Å; K227-I322 HydrophobicContact CB-CG1 4.29Å; K227-I322 HydrophobicContact CD-CG1 4Å; K227-I322 HydrophobicContact CG-CD1 3.97Å; K227-I322 HydrophobicContact CG-CG1 3.82Å; Y319-I322 PolarHBondContact O-N 2.94Å |
| 323 | D | 43.1 | Very low | 39.9 | Very low | 100 Ų | 100 | 110.2 Ų | 110.2 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -114.4 | 4.2 | -177.5 | -150.8 | 21.7 | 0 | 0 | 0 | 113.9 | K136 | K136-D323 VanDerWaalsContact CD-OD2 3.23Å; K136-D323 WeakPolarHBondContact CD-OD2 3.5Å; K136-D323 WeakPolarHBondContact CE-O 3.03Å; K136-D323 WeakPolarHBondContact CE-OD1 3.19Å; K136-D323 WeakPolarHBondContact CE-OD2 3.46Å; K136-D323 PolarHBondContact NZ-O 2.98Å; K136-D323 IonicContact NZ-OD1 2.73Å; K136-D323 PolarHBondContact NZ-OD1 3.4Å; K136-D323 IonicContact NZ-OD2 3.45Å; K136-D323 PolarHBondContact NZ-OD2 3.35Å |
| 324 | S | 38.4 | Very low | 39.8 | Very low | 60 Ų | 60 | 114.9 Ų | 114.9 | 42% | 0.42 | 60% | 0.599 | S | S | . | * | trans | -113.8 | 41.1 | 177.3 | -148.5 | 0 | 0 | 0 | 0 | 112.4 | K326 | S324-K326 PolarHBondContact O-N 2.95Š| ||
| 325 | G | 38.5 | Very low | 39.9 | Very low | 67 Ų | 67 | 113.5 Ų | 113.5 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 15.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 326 | K | 38.6 | Very low | 40 | Very low | 199 Ų | 199 | 111.8 Ų | 111.8 | 87% | 0.865 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143 | 4.1 | -179.3 | -89.8 | -168.8 | 177.5 | -178 | 0 | 117.1 | S324 | S324-K326 PolarHBondContact O-N 2.95Š|
| 327 | R | 39.1 | Very low | 40.4 | Very low | 214 Ų | 214 | 111.8 Ų | 111.8 | 81% | 0.808 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -113.8 | 4.2 | -174.4 | -80.2 | -167.7 | -169.9 | -175.8 | 4.1 | 118 | ||
| 328 | L | 39.3 | Very low | 40.6 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -122.6 | 9.1 | 177.3 | -90 | 134.7 | 0 | 0 | 0 | 114.7 | ||
| 329 | G | 36 | Very low | 40.7 | Very low | 61 Ų | 61 | 121.2 Ų | 121.2 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -100.5 | -4.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 330 | S | 36.2 | Very low | 40.8 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -112.2 | -7.1 | -174.9 | 55.1 | 0 | 0 | 0 | 0 | 115 | ||
| 331 | S | 39.8 | Very low | 40.9 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -101.2 | -13.8 | 178.8 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 332 | Q | 39.9 | Very low | 41.2 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -108.3 | 0 | -176.9 | -152.1 | 165.8 | -10.5 | 0 | 0 | 114.3 | ||
| 333 | Q | 39.1 | Very low | 41 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -109.2 | 7 | 174.8 | -153.1 | 169.5 | -11.2 | 0 | 0 | 113.1 | ||
| 334 | R | 39.2 | Very low | 40.9 | Very low | 217 Ų | 217 | 140.6 Ų | 140.6 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -101.3 | -3.2 | 175.8 | -131.5 | 177.9 | -164.4 | -178.3 | 3.2 | 114.1 | ||
| 335 | S | 43.9 | Very low | 41.1 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -103.6 | 5 | -178.7 | -156.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 336 | S | 45.1 | Very low | 41.2 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -119.1 | 18.6 | 178.2 | 79.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 337 | K | 46 | Very low | 41.4 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -126.4 | 13.9 | 175.5 | -78.4 | -165 | 174.8 | -170.4 | 0 | 114.3 | ||
| 338 | L | 45.7 | Very low | 41.6 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -118.5 | 88.9 | 161.4 | -89.9 | 96.2 | 0 | 0 | 0 | 106.7 | ||||
| 339 | N | 43.2 | Very low | 41.8 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -177 | 77.5 | 160.6 | -87.5 | -20 | 0 | 0 | 0 | 105.1 | ||||
| 340 | L | 47.5 | Very low | 42.3 | Very low | 248 Ų | 248 | 152.9 Ų | 152.9 | 100% | 1.298 | 80% | 0.803 | S | S | * | * | trans | -141.3 | 0 | 161.4 | -145.8 | 145.6 | 0 | 0 | 0 | 106.3 |
Retrieved 340 of 340 residues in 770.4 ms
(Link to these results)