| 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 | 44.7 | Very low | 60.5 | Low | 245 Ų | 245 | 131.3 Ų | 131.3 | 100% | 1.207 | 68% | 0.681 | S | S | * | * | 0 | 107.4 | 0 | -74.5 | 167.2 | 174.8 | 0 | 0 | 107.3 | G3 | M1-G3 PolarHBondContact O-N 3.39Š| |||
| 2 | S | 52.5 | Low | 62.6 | Low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | trans | -70.8 | 99.7 | 172.8 | -175.3 | 0 | 0 | 0 | 0 | 106.7 | K4 | S2-K4 VanDerWaalsContact C-N 3.28Å; S2-K4 PolarHBondContact O-N 3.44Å | ||
| 3 | G | 51.5 | Low | 64.5 | Low | 62 Ų | 62 | 120.2 Ų | 120.2 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | trans | -63.4 | 96.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | M1 H5 | M1-G3 PolarHBondContact O-N 3.39Å; G3-H5 PolarHBondContact O-N 2.92Å | ||
| 4 | K | 54.5 | Low | 66.3 | Low | 198 Ų | 198 | 118.9 Ų | 118.9 | 86% | 0.861 | 64% | 0.643 | S | S | * | * | trans | -59.3 | 97.5 | 159.4 | -74 | -176.7 | 178.3 | -179.7 | 0 | 104.5 | S2 Y6 | S2-K4 VanDerWaalsContact C-N 3.28Å; S2-K4 PolarHBondContact O-N 3.44Å; K4-Y6 PolarHBondContact O-N 3.28Å | ||
| 5 | H | 49.2 | Very low | 67.8 | Low | 182 Ų | 182 | 113.5 Ų | 113.5 | 84% | 0.843 | 61% | 0.613 | S | S | * | * | trans | -52.5 | 102.3 | 162.2 | -96.6 | -93.1 | 0 | 0 | 0 | 105 | G3 K7 | G3-H5 PolarHBondContact O-N 2.92Å; H5-K7 PolarHBondContact O-N 3.29Å | ||
| 6 | Y | 52.9 | Low | 69.2 | Low | 211 Ų | 211 | 108.4 Ų | 108.4 | 83% | 0.827 | 58% | 0.583 | S | S | * | * | trans | -66.8 | 94.1 | 169.2 | -158.7 | -89.9 | 0 | 0 | 0 | 104 | K4 G8 | K4-Y6 PolarHBondContact O-N 3.28Å; Y6-G8 PolarHBondContact O-N 3.44Å; Y6-G8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | K | 58.6 | Low | 70.5 | Confident | 167 Ų | 167 | 110.1 Ų | 110.1 | 73% | 0.726 | 58% | 0.581 | S | S | * | * | trans | -59.7 | 115.5 | 164.2 | -74 | -171.3 | 173.9 | -169.9 | 0 | 104.1 | H5 | H5-K7 PolarHBondContact O-N 3.29Š| ||
| 8 | G | 67 | Low | 71.7 | Confident | 36 Ų | 36 | 109.9 Ų | 109.9 | 37% | 0.371 | 57% | 0.574 | S | S | . | * | trans | -54.8 | 167.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y6 E10 | Y6-G8 PolarHBondContact O-N 3.44Å; Y6-G8 VanDerWaalsContact O-N 3.09Å; G8-E10 PolarHBondContact O-N 2.92Å | ||
| 9 | P | 73.3 | Confident | 72.8 | Confident | 53 Ų | 53 | 104.4 Ų | 104.4 | 34% | 0.344 | 55% | 0.546 | S | S | . | . | trans | -51.8 | 130.3 | 167 | 23 | -30.4 | 0 | 0 | 0 | 108.7 | A263 V264 | P9-A263 HydrophobicContact CB-CB 3.68Å; P9-A263 HydrophobicContact CG-CB 4.18Å; P9-A263 WeakPolarHBondContact CG-O 3.38Å; P9-V264 HydrophobicContact CB-CG2 4.2Å; P9-V264 VanDerWaalsContact O-CG2 3.29Å; P9-V264 WeakPolarHBondContact O-CG2 3.5Å | ||
| 10 | E | 80.6 | Confident | 73.9 | Confident | 138 Ų | 138 | 102.2 Ų | 102.2 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | trans | -128 | 138 | 176.9 | -75.3 | 177.3 | -170.8 | 0 | 0 | 107.2 | G8 S12 | G8-E10 PolarHBondContact O-N 2.92Å; E10-S12 PolarHBondContact O-N 3.49Å | ||
| 11 | V | 81.1 | Confident | 74.8 | Confident | 33 Ų | 33 | 98.9 Ų | 98.9 | 20% | 0.2 | 52% | 0.522 | C | S | . | . | trans | -68.9 | 125 | 176 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | C13 L257 D260 I261 V264 | V11-C13 PolarHBondContact O-N 2.99Å; V11-L257 HydrophobicContact CG1-CD1 3.41Å; V11-L257 VanDerWaalsContact CG1-CD1 3.41Å; V11-D260 HydrophobicContact CG2-CB 4.42Å; V11-I261 HydrophobicContact CG2-CG1 4.17Å; V11-V264 HydrophobicContact CG2-CG2 4.02Å | ||
| 12 | S | 85.1 | Confident | 77 | Confident | 44 Ų | 44 | 89.7 Ų | 89.7 | 31% | 0.308 | 48% | 0.475 | S | S | . | . | trans | -64.9 | 104.8 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | E10 C14 I15 K16 D260 | E10-S12 PolarHBondContact O-N 3.49Å; S12-C14 PolarHBondContact O-N 2.64Å; S12-I15 PolarHBondContact O-N 3.49Å; S12-I15 VanDerWaalsContact O-N 3.09Å; S12-K16 PolarHBondContact O-N 2.86Å; S12-D260 PolarHBondContact N-OD2 3Å | ||
| 13 | C | 88.1 | Confident | 79 | Confident | 74 Ų | 74 | 84.2 Ų | 84.2 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -52.7 | -41.4 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | V11 K16 Y17 | V11-C13 PolarHBondContact O-N 2.99Å; C13-K16 PolarHBondContact O-N 3.09Å; C13-Y17 WeakPolarHBondContact O-CD2 3.45Å; C13-Y17 PolarHBondContact O-N 2.82Å; C13-Y17 WeakPolarHBondContact SG-CD2 3.46Å; C13-Y17 WeakPolarHBondContact SG-CE2 3.33Å |
| 14 | C | 89.4 | Confident | 81.1 | Confident | 103 Ų | 103 | 82.9 Ų | 82.9 | 70% | 0.696 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.5 | -45 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 112 | S12 F18 | S12-C14 PolarHBondContact O-N 2.64Å; C14-F18 WeakPolarHBondContact O-CB 3.44Å; C14-F18 PolarHBondContact O-N 3.36Å |
| 15 | I | 88.6 | Confident | 83 | Confident | 38 Ų | 38 | 78.2 Ų | 78.2 | 20% | 0.195 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 178.6 | -66.5 | 177.5 | 0 | 0 | 0 | 110 | S12 Y17 F18 I19 L253 L257 | S12-I15 PolarHBondContact O-N 3.49Å; S12-I15 VanDerWaalsContact O-N 3.09Å; I15-Y17 PolarHBondContact O-N 2.89Å; I15-F18 PolarHBondContact O-N 3.03Å; I15-I19 HydrophobicContact CG2-CD1 3.63Å; I15-I19 HydrophobicContact CG2-CG1 4.27Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 2.81Å; I15-L253 HydrophobicContact CG2-CD2 4.21Å; I15-L257 HydrophobicContact CG2-CB 4.26Å |
| 16 | K | 89.8 | Confident | 85.2 | Confident | 31 Ų | 31 | 72.6 Ų | 72.6 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56 | -52.7 | 178.8 | 179.6 | 178.5 | 176.8 | 170.8 | 0 | 112 | S12 C13 F20 A83 L84 E86 L257 | S12-K16 PolarHBondContact O-N 2.86Å; C13-K16 PolarHBondContact O-N 3.09Å; K16-F20 WeakPolarHBondContact O-CB 3.36Å; K16-F20 PolarHBondContact O-N 2.96Å; K16-A83 WeakPolarHBondContact CE-O 3.47Å; K16-L84 PolarHBondContact NZ-O 3.28Å; K16-E86 IonicContact NZ-OE1 2.81Å; K16-E86 PolarHBondContact NZ-OE1 2.96Å; K16-L257 HydrophobicContact CB-CD1 4.39Å |
| 17 | Y | 91.8 | Very high | 87.3 | Confident | 138 Ų | 138 | 65.8 Ų | 65.8 | 54% | 0.541 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.4 | -31 | -178.7 | -73.9 | -60.8 | 0 | 0 | 0 | 113.1 | C13 I15 G21 | C13-Y17 WeakPolarHBondContact O-CD2 3.45Å; C13-Y17 PolarHBondContact O-N 2.82Å; C13-Y17 WeakPolarHBondContact SG-CD2 3.46Å; C13-Y17 WeakPolarHBondContact SG-CE2 3.33Å; I15-Y17 PolarHBondContact O-N 2.89Å; Y17-G21 PolarHBondContact O-N 3.47Å |
| 18 | F | 92.3 | Very high | 89.1 | Confident | 107 Ų | 107 | 63.3 Ų | 63.3 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67 | -48.5 | 175.4 | -173.7 | -83.9 | 0 | 0 | 0 | 111.7 | C14 I15 F20 G21 F22 F249 L253 | C14-F18 WeakPolarHBondContact O-CB 3.44Å; C14-F18 PolarHBondContact O-N 3.36Å; I15-F18 PolarHBondContact O-N 3.03Å; F18-F20 VanDerWaalsContact C-N 3.32Å; F18-F20 PolarHBondContact O-N 3.3Å; F18-G21 PolarHBondContact O-N 3.37Å; F18-F22 WeakPolarHBondContact O-CB 3.23Å; F18-F22 PolarHBondContact O-N 3.48Å; F18-F249 HydrophobicContact CD1-CE1 4.44Å; F18-F249 HydrophobicContact CE1-CD1 4.45Å; F18-F249 AromaticContact CE1-CE1 3.4Å; F18-F249 HydrophobicContact CE1-CE1 3.4Å; F18-F249 VanDerWaalsContact CE1-CE1 3.4Å; F18-F249 AromaticContact CE1-CZ 3.89Å; F18-F249 HydrophobicContact CE1-CZ 3.89Å; F18-F249 AromaticContact CZ-CE1 3.76Å; F18-F249 HydrophobicContact CZ-CE1 3.76Å; F18-F249 HydrophobicContact CZ-CZ 4.2Å; F18-L253 HydrophobicContact CD1-CD1 3.56Å; F18-L253 HydrophobicContact CE1-CD1 3.67Å |
| 19 | I | 92.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59 | -45.9 | 174.9 | -67.4 | 169.6 | 0 | 0 | 0 | 110.3 | I15 F22 N23 A83 L253 L257 | I15-I19 HydrophobicContact CG2-CD1 3.63Å; I15-I19 HydrophobicContact CG2-CG1 4.27Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 2.81Å; I19-F22 PolarHBondContact O-N 2.7Å; I19-N23 VanDerWaalsContact CG2-ND2 3.33Å; I19-N23 WeakPolarHBondContact CG2-ND2 3.39Å; I19-N23 WeakPolarHBondContact O-CB 3.33Å; I19-N23 PolarHBondContact O-N 2.91Å; I19-N23 PolarHBondContact O-ND2 3.11Å; I19-A83 HydrophobicContact CG2-CB 4.08Å; I19-L253 VanDerWaalsContact CD1-C 3.47Å; I19-L253 HydrophobicContact CD1-CB 3.68Å; I19-L253 VanDerWaalsContact CD1-O 3.31Å; I19-L253 WeakPolarHBondContact CD1-O 2.86Å; I19-L253 HydrophobicContact CG1-CB 3.62Å; I19-L253 HydrophobicContact CG1-CD1 4.1Å; I19-L253 HydrophobicContact CG1-CG 4.44Å; I19-L257 HydrophobicContact CD1-CB 3.93Å; I19-L257 HydrophobicContact CD1-CD2 3.83Å |
| 20 | F | 93.7 | Very high | 91.7 | Very high | 60 Ų | 60 | 62.6 Ų | 62.6 | 26% | 0.263 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.5 | -52.2 | 177.5 | 172.1 | -108.5 | 0 | 0 | 0 | 111.3 | K16 F18 F22 N23 V24 C80 A83 L84 | K16-F20 WeakPolarHBondContact O-CB 3.36Å; K16-F20 PolarHBondContact O-N 2.96Å; F18-F20 VanDerWaalsContact C-N 3.32Å; F18-F20 PolarHBondContact O-N 3.3Å; F20-F22 VanDerWaalsContact C-N 3.34Å; F20-F22 PolarHBondContact O-N 2.96Å; F20-N23 PolarHBondContact O-N 3.35Å; F20-V24 HydrophobicContact CD1-CG2 4.4Å; F20-V24 HydrophobicContact CD2-CG2 3.95Å; F20-V24 HydrophobicContact CE1-CG2 3.99Å; F20-V24 HydrophobicContact CE2-CG2 3.47Å; F20-V24 VanDerWaalsContact CE2-CG2 3.47Å; F20-V24 HydrophobicContact CG-CG2 4.39Å; F20-V24 HydrophobicContact CZ-CG2 3.51Å; F20-V24 VanDerWaalsContact O-CG2 3.3Å; F20-V24 WeakPolarHBondContact O-CG2 3.31Å; F20-V24 PolarHBondContact O-N 2.91Å; F20-C80 HydrophobicContact CD2-CB 4.13Å; F20-C80 HydrophobicContact CE2-CB 4.18Å; F20-A83 HydrophobicContact CB-CB 4.41Å; F20-L84 HydrophobicContact CD1-CD2 4.42Å; F20-L84 HydrophobicContact CD2-CD1 3.81Å; F20-L84 HydrophobicContact CD2-CD2 3.94Å; F20-L84 HydrophobicContact CD2-CG 3.59Å; F20-L84 HydrophobicContact CE2-CD1 3.38Å; F20-L84 HydrophobicContact CE2-CD2 4.15Å; F20-L84 HydrophobicContact CE2-CG 3.74Å; F20-L84 HydrophobicContact CG-CD2 4.09Å; F20-L84 HydrophobicContact CG-CG 4.22Å; F20-L84 HydrophobicContact CZ-CD1 3.96Å; F20-L84 HydrophobicContact CZ-CD2 4.45Å; F20-L84 HydrophobicContact CZ-CG 4.45Å |
| 21 | G | 92.7 | Very high | 92.5 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 33% | 0.33 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.4 | -44.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y17 F18 V24 I25 | Y17-G21 PolarHBondContact O-N 3.47Å; F18-G21 PolarHBondContact O-N 3.37Å; G21-V24 PolarHBondContact O-N 3.04Å; G21-I25 WeakPolarHBondContact O-CG1 3.38Å; G21-I25 PolarHBondContact O-N 3.21Å |
| 22 | F | 91.8 | Very high | 93.3 | Very high | 53 Ų | 53 | 61.5 Ų | 61.5 | 23% | 0.232 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 176.1 | -176.5 | -100.8 | 0 | 0 | 0 | 111.9 | F18 I19 F20 V24 I25 F26 L246 | F18-F22 WeakPolarHBondContact O-CB 3.23Å; F18-F22 PolarHBondContact O-N 3.48Å; I19-F22 PolarHBondContact O-N 2.7Å; F20-F22 VanDerWaalsContact C-N 3.34Å; F20-F22 PolarHBondContact O-N 2.96Å; F22-V24 VanDerWaalsContact C-N 3.31Å; F22-V24 PolarHBondContact O-N 3.18Å; F22-I25 WeakPolarHBondContact O-CB 3.42Å; F22-I25 PolarHBondContact O-N 3.04Å; F22-I25 VanDerWaalsContact O-N 3.15Å; F22-F26 HydrophobicContact CD1-CD2 4Å; F22-F26 HydrophobicContact CD1-CE2 4.08Å; F22-F26 HydrophobicContact CD2-CD2 4.45Å; F22-F26 AromaticContact CD2-CE2 3.97Å; F22-F26 HydrophobicContact CD2-CE2 3.97Å; F22-F26 AromaticContact CE1-CD2 3.64Å; F22-F26 HydrophobicContact CE1-CD2 3.64Å; F22-F26 AromaticContact CE1-CE2 3.42Å; F22-F26 HydrophobicContact CE1-CE2 3.42Å; F22-F26 VanDerWaalsContact CE1-CE2 3.42Å; F22-F26 HydrophobicContact CE1-CZ 4.22Å; F22-F26 HydrophobicContact CE2-CD2 4.13Å; F22-F26 AromaticContact CE2-CE2 3.29Å; F22-F26 HydrophobicContact CE2-CE2 3.29Å; F22-F26 HydrophobicContact CE2-CZ 4.08Å; F22-F26 HydrophobicContact CG-CD2 4.4Å; F22-F26 HydrophobicContact CG-CE2 4.32Å; F22-F26 AromaticContact CZ-CD2 3.72Å; F22-F26 HydrophobicContact CZ-CD2 3.72Å; F22-F26 AromaticContact CZ-CE2 2.97Å; F22-F26 HydrophobicContact CZ-CE2 2.97Å; F22-F26 AromaticContact CZ-CZ 3.59Å; F22-F26 HydrophobicContact CZ-CZ 3.59Å; F22-F26 WeakPolarHBondContact O-CD2 3.24Å; F22-F26 PolarHBondContact O-N 2.95Å; F22-L246 HydrophobicContact CE2-CD1 3.54Å; F22-L246 HydrophobicContact CE2-CD2 4.05Å; F22-L246 HydrophobicContact CE2-CG 4.02Å; F22-L246 HydrophobicContact CZ-CD1 3.52Å; F22-L246 HydrophobicContact CZ-CD2 3.67Å; F22-L246 HydrophobicContact CZ-CG 3.52Å |
| 23 | N | 94.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.1 | -31 | -179.6 | -80.8 | -81.1 | 0 | 0 | 0 | 113.3 | I19 F20 I25 F26 W27 C80 F94 | I19-N23 VanDerWaalsContact CG2-ND2 3.33Å; I19-N23 WeakPolarHBondContact CG2-ND2 3.39Å; I19-N23 WeakPolarHBondContact O-CB 3.33Å; I19-N23 PolarHBondContact O-N 2.91Å; I19-N23 PolarHBondContact O-ND2 3.11Å; F20-N23 PolarHBondContact O-N 3.35Å; N23-I25 VanDerWaalsContact C-N 3.29Å; N23-I25 PolarHBondContact O-N 3.25Å; N23-F26 PolarHBondContact O-N 3.14Å; N23-W27 VanDerWaalsContact O-CB 3.23Å; N23-W27 WeakPolarHBondContact O-CB 3.29Å; N23-W27 PolarHBondContact O-N 3.38Å; N23-C80 VanDerWaalsContact CB-SG 3.56Å; N23-F94 WeakPolarHBondContact OD1-CE2 3.23Å; N23-F94 WeakPolarHBondContact OD1-CZ 3.43Å |
| 24 | V | 95.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 61 Ų | 61 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -40.9 | 173.8 | 167.3 | 0 | 0 | 0 | 0 | 110.6 | F20 G21 F22 W27 F28 C80 | F20-V24 HydrophobicContact CD1-CG2 4.4Å; F20-V24 HydrophobicContact CD2-CG2 3.95Å; F20-V24 HydrophobicContact CE1-CG2 3.99Å; F20-V24 HydrophobicContact CE2-CG2 3.47Å; F20-V24 VanDerWaalsContact CE2-CG2 3.47Å; F20-V24 HydrophobicContact CG-CG2 4.39Å; F20-V24 HydrophobicContact CZ-CG2 3.51Å; F20-V24 VanDerWaalsContact O-CG2 3.3Å; F20-V24 WeakPolarHBondContact O-CG2 3.31Å; F20-V24 PolarHBondContact O-N 2.91Å; G21-V24 PolarHBondContact O-N 3.04Å; F22-V24 VanDerWaalsContact C-N 3.31Å; F22-V24 PolarHBondContact O-N 3.18Å; V24-W27 PolarHBondContact O-N 3.1Å; V24-F28 HydrophobicContact CG1-CD2 3.64Å; V24-F28 HydrophobicContact CG1-CE2 3.55Å; V24-F28 VanDerWaalsContact O-CD2 3.24Å; V24-F28 WeakPolarHBondContact O-CD2 3.42Å; V24-F28 PolarHBondContact O-N 3.44Å; V24-C80 VanDerWaalsContact CG2-SG 3.54Å; V24-C80 PolarHBondContact N-SG 3.37Å; V24-C80 VanDerWaalsContact N-SG 3.37Å |
| 25 | I | 95.2 | Very high | 94.6 | Very high | 100 Ų | 100 | 58 Ų | 58 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 177.3 | -63.2 | 166.8 | 0 | 0 | 0 | 110.3 | G21 F22 N23 W27 F28 L29 | G21-I25 WeakPolarHBondContact O-CG1 3.38Å; G21-I25 PolarHBondContact O-N 3.21Å; F22-I25 WeakPolarHBondContact O-CB 3.42Å; F22-I25 PolarHBondContact O-N 3.04Å; F22-I25 VanDerWaalsContact O-N 3.15Å; N23-I25 VanDerWaalsContact C-N 3.29Å; N23-I25 PolarHBondContact O-N 3.25Å; I25-W27 VanDerWaalsContact C-N 3.28Å; I25-W27 PolarHBondContact O-N 3.45Å; I25-F28 PolarHBondContact O-N 2.89Å; I25-L29 HydrophobicContact CG2-CD1 4.15Å; I25-L29 WeakPolarHBondContact O-CG 3.35Å; I25-L29 PolarHBondContact O-N 2.69Å |
| 26 | F | 94.4 | Very high | 94.8 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 28% | 0.281 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.7 | -34 | 177.9 | -78.2 | -87.5 | 0 | 0 | 0 | 112.9 | F22 N23 L29 G30 L246 | F22-F26 HydrophobicContact CD1-CD2 4Å; F22-F26 HydrophobicContact CD1-CE2 4.08Å; F22-F26 HydrophobicContact CD2-CD2 4.45Å; F22-F26 AromaticContact CD2-CE2 3.97Å; F22-F26 HydrophobicContact CD2-CE2 3.97Å; F22-F26 AromaticContact CE1-CD2 3.64Å; F22-F26 HydrophobicContact CE1-CD2 3.64Å; F22-F26 AromaticContact CE1-CE2 3.42Å; F22-F26 HydrophobicContact CE1-CE2 3.42Å; F22-F26 VanDerWaalsContact CE1-CE2 3.42Å; F22-F26 HydrophobicContact CE1-CZ 4.22Å; F22-F26 HydrophobicContact CE2-CD2 4.13Å; F22-F26 AromaticContact CE2-CE2 3.29Å; F22-F26 HydrophobicContact CE2-CE2 3.29Å; F22-F26 HydrophobicContact CE2-CZ 4.08Å; F22-F26 HydrophobicContact CG-CD2 4.4Å; F22-F26 HydrophobicContact CG-CE2 4.32Å; F22-F26 AromaticContact CZ-CD2 3.72Å; F22-F26 HydrophobicContact CZ-CD2 3.72Å; F22-F26 AromaticContact CZ-CE2 2.97Å; F22-F26 HydrophobicContact CZ-CE2 2.97Å; F22-F26 AromaticContact CZ-CZ 3.59Å; F22-F26 HydrophobicContact CZ-CZ 3.59Å; F22-F26 WeakPolarHBondContact O-CD2 3.24Å; F22-F26 PolarHBondContact O-N 2.95Å; N23-F26 PolarHBondContact O-N 3.14Å; F26-L29 PolarHBondContact O-N 2.84Å; F26-G30 PolarHBondContact O-N 3.29Å; F26-L246 HydrophobicContact CZ-CD2 3.94Å |
| 27 | W | 96.4 | Very high | 94.9 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 176.5 | -177.4 | 57.3 | 0 | 0 | 0 | 111.6 | N23 V24 I25 G30 I31 F73 | N23-W27 VanDerWaalsContact O-CB 3.23Å; N23-W27 WeakPolarHBondContact O-CB 3.29Å; N23-W27 PolarHBondContact O-N 3.38Å; V24-W27 PolarHBondContact O-N 3.1Å; I25-W27 VanDerWaalsContact C-N 3.28Å; I25-W27 PolarHBondContact O-N 3.45Å; W27-G30 PolarHBondContact O-N 3.33Å; W27-I31 HydrophobicContact CD2-CD1 4.25Å; W27-I31 HydrophobicContact CH2-CD1 4.33Å; W27-I31 HydrophobicContact CZ2-CD1 4.02Å; W27-I31 WeakPolarHBondContact O-CG1 3.45Å; W27-I31 PolarHBondContact O-N 2.9Å; W27-F73 AromaticContact CD1-CD2 3.64Å; W27-F73 AromaticContact CD1-CE2 3.91Å; W27-F73 AromaticContact CE2-CE2 3.94Å; W27-F73 HydrophobicContact CZ2-CE2 4.33Å; W27-F73 AromaticContact NE1-CD2 3.34Å; W27-F73 VanDerWaalsContact NE1-CD2 3.34Å; W27-F73 AromaticContact NE1-CE2 3.1Å; W27-F73 AromaticContact NE1-CZ 3.85Å |
| 28 | F | 97 | Very high | 94.9 | Very high | 116 Ų | 116 | 56.9 Ų | 56.9 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 174.1 | -81.6 | -66.7 | 0 | 0 | 0 | 112.4 | V24 I25 G30 I31 T32 | V24-F28 HydrophobicContact CG1-CD2 3.64Å; V24-F28 HydrophobicContact CG1-CE2 3.55Å; V24-F28 VanDerWaalsContact O-CD2 3.24Å; V24-F28 WeakPolarHBondContact O-CD2 3.42Å; V24-F28 PolarHBondContact O-N 3.44Å; I25-F28 PolarHBondContact O-N 2.89Å; F28-G30 VanDerWaalsContact C-N 3.29Å; F28-G30 PolarHBondContact O-N 3.36Å; F28-I31 HydrophobicContact CD1-CD1 4.37Å; F28-I31 PolarHBondContact O-N 2.82Å; F28-T32 PolarHBondContact O-N 3.36Å; F28-T32 PolarHBondContact O-OG1 3.33Å |
| 29 | L | 96.7 | Very high | 94.9 | Very high | 74 Ų | 74 | 60 Ų | 60 | 39% | 0.387 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 172.7 | -70 | 174.7 | 0 | 0 | 0 | 111.5 | I25 F26 I31 T32 F33 | I25-L29 HydrophobicContact CG2-CD1 4.15Å; I25-L29 WeakPolarHBondContact O-CG 3.35Å; I25-L29 PolarHBondContact O-N 2.69Å; F26-L29 PolarHBondContact O-N 2.84Å; L29-I31 PolarHBondContact O-N 3.43Å; L29-T32 PolarHBondContact O-N 2.88Å; L29-F33 VanDerWaalsContact O-CD2 3.25Å; L29-F33 WeakPolarHBondContact O-CD2 3.26Å; L29-F33 PolarHBondContact O-N 3.44Å |
| 30 | G | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F26 W27 F28 T32 F33 L34 | F26-G30 PolarHBondContact O-N 3.29Å; W27-G30 PolarHBondContact O-N 3.33Å; F28-G30 VanDerWaalsContact C-N 3.29Å; F28-G30 PolarHBondContact O-N 3.36Å; G30-T32 VanDerWaalsContact C-N 3.35Å; G30-T32 PolarHBondContact O-N 2.92Å; G30-F33 PolarHBondContact O-N 3.37Å; G30-L34 WeakPolarHBondContact O-CB 3.41Å; G30-L34 WeakPolarHBondContact O-CG 3.26Å; G30-L34 PolarHBondContact O-N 3.19Å |
| 31 | I | 97.9 | Very high | 94.1 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 35% | 0.354 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.1 | -65.5 | 171.2 | 0 | 0 | 0 | 110.8 | W27 F28 L29 L34 G35 F73 | W27-I31 HydrophobicContact CD2-CD1 4.25Å; W27-I31 HydrophobicContact CH2-CD1 4.33Å; W27-I31 HydrophobicContact CZ2-CD1 4.02Å; W27-I31 WeakPolarHBondContact O-CG1 3.45Å; W27-I31 PolarHBondContact O-N 2.9Å; F28-I31 HydrophobicContact CD1-CD1 4.37Å; F28-I31 PolarHBondContact O-N 2.82Å; L29-I31 PolarHBondContact O-N 3.43Å; I31-L34 PolarHBondContact O-N 3.39Å; I31-G35 PolarHBondContact O-N 3.44Å; I31-F73 HydrophobicContact CD1-CE2 4.31Å; I31-F73 HydrophobicContact CG1-CD2 3.74Å; I31-F73 HydrophobicContact CG1-CE2 3.9Å |
| 32 | T | 97.5 | Very high | 93.7 | Very high | 78 Ų | 78 | 64.8 Ų | 64.8 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | F28 L29 G30 G35 I36 | F28-T32 PolarHBondContact O-N 3.36Å; F28-T32 PolarHBondContact O-OG1 3.33Å; L29-T32 PolarHBondContact O-N 2.88Å; G30-T32 VanDerWaalsContact C-N 3.35Å; G30-T32 PolarHBondContact O-N 2.92Å; T32-G35 PolarHBondContact O-N 3.44Å; T32-I36 HydrophobicContact CG2-CD1 4.01Å; T32-I36 WeakPolarHBondContact O-CG1 3.33Å; T32-I36 PolarHBondContact O-N 3.39Å |
| 33 | F | 97.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 67.9 Ų | 67.9 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 179 | -87.3 | -122.5 | 0 | 0 | 0 | 111.9 | L29 G30 I36 G37 F65 V68 M72 | L29-F33 VanDerWaalsContact O-CD2 3.25Å; L29-F33 WeakPolarHBondContact O-CD2 3.26Å; L29-F33 PolarHBondContact O-N 3.44Å; G30-F33 PolarHBondContact O-N 3.37Å; F33-I36 PolarHBondContact O-N 3.46Å; F33-G37 PolarHBondContact O-N 2.91Å; F33-F65 AromaticContact CD1-CD1 3.79Å; F33-F65 HydrophobicContact CD1-CD1 3.79Å; F33-F65 HydrophobicContact CD1-CE1 4.27Å; F33-F65 HydrophobicContact CE1-CD1 4.22Å; F33-F65 HydrophobicContact CE1-CE1 4.27Å; F33-F65 HydrophobicContact CG-CD1 4.31Å; F33-V68 HydrophobicContact CD1-CG1 4.17Å; F33-V68 HydrophobicContact CE1-CG1 4.26Å; F33-M72 HydrophobicContact CB-CE 3.86Å; F33-M72 HydrophobicContact CD1-CE 3.7Å; F33-M72 HydrophobicContact CD2-CE 3.79Å; F33-M72 HydrophobicContact CE1-CE 4.15Å; F33-M72 HydrophobicContact CE2-CE 4.23Å; F33-M72 HydrophobicContact CG-CE 3.5Å; F33-M72 VanDerWaalsContact CG-CE 3.5Å; F33-M72 HydrophobicContact CZ-CE 4.39Å |
| 34 | L | 96.8 | Very high | 91.9 | Very high | 41 Ų | 41 | 71 Ų | 71 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 173.6 | -74.7 | 172.5 | 0 | 0 | 0 | 111.8 | G30 I31 G37 L38 L66 F73 | G30-L34 WeakPolarHBondContact O-CB 3.41Å; G30-L34 WeakPolarHBondContact O-CG 3.26Å; G30-L34 PolarHBondContact O-N 3.19Å; I31-L34 PolarHBondContact O-N 3.39Å; L34-G37 PolarHBondContact O-N 2.92Å; L34-L38 VanDerWaalsContact O-CB 3.3Å; L34-L38 WeakPolarHBondContact O-CB 3.18Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 2.93Å; L34-L66 HydrophobicContact CD2-CD2 4.41Å; L34-F73 HydrophobicContact CD1-CB 3.84Å; L34-F73 HydrophobicContact CD1-CG 4.1Å |
| 35 | G | 96.1 | Very high | 90.1 | Very high | 39 Ų | 39 | 70.7 Ų | 70.7 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I31 T32 W39 | I31-G35 PolarHBondContact O-N 3.44Å; T32-G35 PolarHBondContact O-N 3.44Å; G35-W39 VanDerWaalsContact O-CB 3.25Å; G35-W39 WeakPolarHBondContact O-CB 3.41Å; G35-W39 PolarHBondContact O-N 2.92Å |
| 36 | I | 93.6 | Very high | 88 | Confident | 78 Ų | 78 | 71.4 Ų | 71.4 | 40% | 0.4 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 176.3 | -66 | 167.2 | 0 | 0 | 0 | 110.7 | T32 F33 L38 W39 A40 F65 | T32-I36 HydrophobicContact CG2-CD1 4.01Å; T32-I36 WeakPolarHBondContact O-CG1 3.33Å; T32-I36 PolarHBondContact O-N 3.39Å; F33-I36 PolarHBondContact O-N 3.46Å; I36-L38 PolarHBondContact O-N 3.35Å; I36-W39 PolarHBondContact O-N 3.35Å; I36-A40 WeakPolarHBondContact O-CB 3.47Å; I36-A40 PolarHBondContact O-N 3.48Å; I36-F65 HydrophobicContact CG2-CD1 4.22Å; I36-F65 HydrophobicContact CG2-CE1 4.3Å; I36-F65 HydrophobicContact CG2-CG 4.49Å |
| 37 | G | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F33 L34 A40 W41 V62 | F33-G37 PolarHBondContact O-N 2.91Å; L34-G37 PolarHBondContact O-N 2.92Å; G37-A40 PolarHBondContact O-N 2.95Å; G37-W41 VanDerWaalsContact O-CB 3.3Å; G37-W41 WeakPolarHBondContact O-CB 3.32Å; G37-W41 PolarHBondContact O-N 3.32Å; G37-V62 WeakPolarHBondContact O-CG1 3.29Å |
| 38 | L | 91.7 | Very high | 83.6 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 55% | 0.55 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.5 | -37.7 | 178.2 | -70.5 | 172.1 | 0 | 0 | 0 | 112.4 | L34 I36 W41 N42 L66 | L34-L38 VanDerWaalsContact O-CB 3.3Å; L34-L38 WeakPolarHBondContact O-CB 3.18Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 2.93Å; I36-L38 PolarHBondContact O-N 3.35Å; L38-W41 PolarHBondContact O-N 2.87Å; L38-N42 WeakPolarHBondContact O-CB 3.33Å; L38-N42 PolarHBondContact O-N 2.93Å; L38-L66 HydrophobicContact CD2-CD2 3.95Å; L38-L66 HydrophobicContact CG-CD2 3.95Å |
| 39 | W | 91.1 | Very high | 81.3 | Confident | 172 Ų | 172 | 71.9 Ų | 71.9 | 65% | 0.652 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.1 | -51.9 | 172.9 | 178.3 | -88.5 | 0 | 0 | 0 | 110.9 | G35 I36 W41 N42 E43 | G35-W39 VanDerWaalsContact O-CB 3.25Å; G35-W39 WeakPolarHBondContact O-CB 3.41Å; G35-W39 PolarHBondContact O-N 2.92Å; I36-W39 PolarHBondContact O-N 3.35Å; W39-W41 VanDerWaalsContact C-N 3.31Å; W39-W41 PolarHBondContact O-N 2.95Å; W39-N42 PolarHBondContact O-N 2.95Å; W39-N42 VanDerWaalsContact O-N 3.12Å; W39-E43 HydrophobicContact CZ2-CG 4.35Å; W39-E43 PolarHBondContact O-N 2.84Å |
| 40 | A | 86 | Confident | 78.8 | Confident | 30 Ų | 30 | 75.1 Ų | 75.1 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I36 G37 N42 E43 K44 V62 | I36-A40 WeakPolarHBondContact O-CB 3.47Å; I36-A40 PolarHBondContact O-N 3.48Å; G37-A40 PolarHBondContact O-N 2.95Å; A40-N42 VanDerWaalsContact C-N 3.35Å; A40-N42 PolarHBondContact O-N 2.83Å; A40-E43 PolarHBondContact O-N 2.97Å; A40-K44 WeakPolarHBondContact O-CG 3.35Å; A40-K44 PolarHBondContact O-N 3.36Å; A40-V62 HydrophobicContact CB-CG2 3.73Å |
| 41 | W | 84.9 | Confident | 76.2 | Confident | 68 Ų | 68 | 78.9 Ų | 78.9 | 26% | 0.258 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 173.6 | -176.3 | -80.6 | 0 | 0 | 0 | 112.6 | G37 L38 W39 N49 V62 W63 L66 | G37-W41 VanDerWaalsContact O-CB 3.3Å; G37-W41 WeakPolarHBondContact O-CB 3.32Å; G37-W41 PolarHBondContact O-N 3.32Å; L38-W41 PolarHBondContact O-N 2.87Å; W39-W41 VanDerWaalsContact C-N 3.31Å; W39-W41 PolarHBondContact O-N 2.95Å; W41-N49 WeakPolarHBondContact CH2-OD1 3.31Å; W41-N49 VanDerWaalsContact CZ2-CG 3.47Å; W41-N49 WeakPolarHBondContact CZ2-ND2 3.45Å; W41-N49 WeakPolarHBondContact CZ2-OD1 3.49Å; W41-V62 HydrophobicContact CB-CG1 4.01Å; W41-V62 HydrophobicContact CE3-CG1 3.84Å; W41-W63 HydrophobicContact CH2-CH2 4.08Å; W41-W63 AromaticContact CH2-CZ2 3.62Å; W41-W63 HydrophobicContact CH2-CZ2 3.62Å; W41-W63 HydrophobicContact CZ3-CD2 4.44Å; W41-W63 AromaticContact CZ3-CE2 3.74Å; W41-W63 HydrophobicContact CZ3-CH2 4.11Å; W41-W63 AromaticContact CZ3-CZ2 3.56Å; W41-W63 HydrophobicContact CZ3-CZ2 3.56Å; W41-L66 HydrophobicContact CE3-CD1 4.13Å |
| 42 | N | 84.3 | Confident | 73.8 | Confident | 100 Ų | 100 | 78.3 Ų | 78.3 | 54% | 0.535 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 178.8 | -174.4 | 74.1 | 0 | 0 | 0 | 111.7 | L38 W39 A40 G45 | L38-N42 WeakPolarHBondContact O-CB 3.33Å; L38-N42 PolarHBondContact O-N 2.93Å; W39-N42 PolarHBondContact O-N 2.95Å; W39-N42 VanDerWaalsContact O-N 3.12Å; A40-N42 VanDerWaalsContact C-N 3.35Å; A40-N42 PolarHBondContact O-N 2.83Å; N42-G45 PolarHBondContact O-N 3.49Å; N42-G45 VanDerWaalsContact O-N 3.12Å |
| 43 | E | 78.7 | Confident | 71.3 | Confident | 118 Ų | 118 | 79.9 Ų | 79.9 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -72.7 | -32.1 | -178.2 | -61.3 | -50 | -121.3 | 0 | 0 | 113.4 | W39 A40 G45 | W39-E43 HydrophobicContact CZ2-CG 4.35Å; W39-E43 PolarHBondContact O-N 2.84Å; A40-E43 PolarHBondContact O-N 2.97Å; E43-G45 PolarHBondContact O-N 2.97Å; E43-G45 VanDerWaalsContact O-N 3.13Å |
| 44 | K | 69.6 | Low | 68.8 | Low | 69 Ų | 69 | 82 Ų | 82 | 30% | 0.3 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15.5 | 170.1 | -74.5 | -170.1 | 179.5 | -162.4 | 0 | 113.3 | A40 D60 V62 D139 | A40-K44 WeakPolarHBondContact O-CG 3.35Å; A40-K44 PolarHBondContact O-N 3.36Å; K44-D60 IonicContact NZ-OD1 2.74Å; K44-D60 PolarHBondContact NZ-OD1 3.2Å; K44-D60 IonicContact NZ-OD2 3.88Å; K44-D60 PolarHBondContact NZ-OD2 3Å; K44-V62 HydrophobicContact CD-CG2 4.03Å; K44-D139 WeakPolarHBondContact CE-OD2 3.31Å |
| 45 | G | 57.6 | Low | 66.3 | Low | 27 Ų | 27 | 86.5 Ų | 86.5 | 28% | 0.278 | 48% | 0.475 | S | S | . | . | trans | 77 | 140.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N42 E43 L47 | N42-G45 PolarHBondContact O-N 3.49Å; N42-G45 VanDerWaalsContact O-N 3.12Å; E43-G45 PolarHBondContact O-N 2.97Å; E43-G45 VanDerWaalsContact O-N 3.13Å; G45-L47 PolarHBondContact O-N 3.39Å | ||
| 46 | V | 51.5 | Low | 63.8 | Low | 115 Ų | 115 | 87.4 Ų | 87.4 | 70% | 0.697 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -13.1 | 177.1 | 177.1 | 0 | 0 | 0 | 0 | 112.8 | N49 | V46-N49 WeakPolarHBondContact CA-ND2 3.19Å; V46-N49 WeakPolarHBondContact O-CB 3.26Å; V46-N49 PolarHBondContact O-ND2 3.19Å |
| 47 | L | 43.5 | Very low | 61.5 | Low | 172 Ų | 172 | 87.5 Ų | 87.5 | 90% | 0.901 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -18.7 | -166.7 | -163.4 | 63.4 | 0 | 0 | 0 | 115.4 | G45 N49 | G45-L47 PolarHBondContact O-N 3.39Å; L47-N49 VanDerWaalsContact C-N 3.28Å |
| 48 | S | 53.5 | Low | 59.7 | Low | 50 Ų | 50 | 88.9 Ų | 88.9 | 35% | 0.35 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -81.4 | -9.6 | 171.2 | 62.6 | 0 | 0 | 0 | 0 | 113 | I50 S52 | S48-I50 PolarHBondContact O-N 2.91Å; S48-S52 PolarHBondContact O-OG 2.94Å |
| 49 | N | 50.6 | Low | 58.1 | Low | 36 Ų | 36 | 91.9 Ų | 91.9 | 19% | 0.193 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 11.6 | -166.4 | -82.4 | -30 | 0 | 0 | 0 | 118.3 | W41 V46 L47 I53 | W41-N49 WeakPolarHBondContact CH2-OD1 3.31Å; W41-N49 VanDerWaalsContact CZ2-CG 3.47Å; W41-N49 WeakPolarHBondContact CZ2-ND2 3.45Å; W41-N49 WeakPolarHBondContact CZ2-OD1 3.49Å; V46-N49 WeakPolarHBondContact CA-ND2 3.19Å; V46-N49 WeakPolarHBondContact O-CB 3.26Å; V46-N49 PolarHBondContact O-ND2 3.19Å; L47-N49 VanDerWaalsContact C-N 3.28Å; N49-I53 WeakPolarHBondContact O-CD1 3.31Å |
| 50 | I | 44.3 | Very low | 57.2 | Low | 142 Ų | 142 | 85.8 Ų | 85.8 | 73% | 0.728 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.7 | -36.9 | 179.5 | -58.5 | 178.3 | 0 | 0 | 0 | 112.7 | S48 T54 | S48-I50 PolarHBondContact O-N 2.91Å; I50-T54 PolarHBondContact O-OG1 3.2Å |
| 51 | S | 43.1 | Very low | 56.9 | Low | 80 Ų | 80 | 87.4 Ų | 87.4 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -39.7 | -178.1 | 49.3 | 0 | 0 | 0 | 0 | 113 | I53 T54 D55 | S51-I53 VanDerWaalsContact C-N 3.32Å; S51-I53 PolarHBondContact O-N 3.46Å; S51-T54 PolarHBondContact O-N 3.46Å; S51-D55 PolarHBondContact O-N 2.99Å |
| 52 | S | 47.9 | Very low | 57 | Low | 56 Ų | 56 | 84.5 Ų | 84.5 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.5 | -25.4 | -176.5 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | S48 T54 | S48-S52 PolarHBondContact O-OG 2.94Å; S52-T54 PolarHBondContact O-N 3.08Å |
| 53 | I | 44.8 | Very low | 57.1 | Low | 111 Ų | 111 | 85.3 Ų | 85.3 | 57% | 0.569 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -24.9 | 176.1 | -48.4 | -179.4 | 0 | 0 | 0 | 111 | N49 S51 | N49-I53 WeakPolarHBondContact O-CD1 3.31Å; S51-I53 VanDerWaalsContact C-N 3.32Å; S51-I53 PolarHBondContact O-N 3.46Å |
| 54 | T | 43.4 | Very low | 57.5 | Low | 112 Ų | 112 | 84 Ų | 84 | 69% | 0.687 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -101.5 | -35 | -171.3 | -26.9 | 0 | 0 | 0 | 0 | 113.2 | I50 S51 S52 | I50-T54 PolarHBondContact O-OG1 3.2Å; S51-T54 PolarHBondContact O-N 3.46Å; S52-T54 PolarHBondContact O-N 3.08Å |
| 55 | D | 44.6 | Very low | 58.6 | Low | 137 Ų | 137 | 84.3 Ų | 84.3 | 73% | 0.733 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -101.6 | -21.8 | -168.5 | -81.9 | -17.2 | 0 | 0 | 0 | 115.8 | S51 | S51-D55 PolarHBondContact O-N 2.99Å |
| 56 | L | 42.7 | Very low | 60.3 | Low | 58 Ų | 58 | 84.6 Ų | 84.6 | 30% | 0.304 | 48% | 0.48 | S | S | . | . | trans | -120.5 | 104.6 | 170.1 | -74.9 | 112.3 | 0 | 0 | 0 | 107.7 | G58 N129 | L56-G58 PolarHBondContact O-N 2.97Å; L56-N129 WeakPolarHBondContact CD2-ND2 3.48Å; L56-N129 WeakPolarHBondContact CG-ND2 3.23Å | ||
| 57 | G | 46.5 | Very low | 62.2 | Low | 79 Ų | 79 | 83.4 Ų | 83.4 | 81% | 0.814 | 47% | 0.473 | S | S | * | . | trans | -63 | 30.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 58 | G | 52.4 | Low | 64.7 | Low | 29 Ų | 29 | 78.4 Ų | 78.4 | 30% | 0.299 | 45% | 0.449 | S | S | . | . | trans | -86.1 | 123.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L56 D60 | L56-G58 PolarHBondContact O-N 2.97Å; G58-D60 PolarHBondContact O-N 2.91Å | ||
| 59 | F | 58.1 | Low | 66.8 | Low | 168 Ų | 168 | 76 Ų | 76 | 74% | 0.737 | 43% | 0.433 | S | S | * | . | trans | -60 | 106.9 | 165.7 | -92.7 | -93.2 | 0 | 0 | 0 | 109 | P61 L64 | F59-P61 WeakPolarHBondContact O-CD 3.41Å; F59-L64 HydrophobicContact CD1-CD2 4.38Å | ||
| 60 | D | 73.3 | Confident | 69 | Low | 44 Ų | 44 | 75.2 Ų | 75.2 | 24% | 0.235 | 43% | 0.432 | C | S | . | . | trans | -56.3 | 127.1 | 170 | -173.2 | -29.4 | 0 | 0 | 0 | 108.9 | K44 G58 V62 W63 | K44-D60 IonicContact NZ-OD1 2.74Å; K44-D60 PolarHBondContact NZ-OD1 3.2Å; K44-D60 IonicContact NZ-OD2 3.88Å; K44-D60 PolarHBondContact NZ-OD2 3Å; G58-D60 PolarHBondContact O-N 2.91Å; D60-V62 PolarHBondContact O-N 3.33Å; D60-V62 WeakPolarHBondContact OD1-CB 3.3Å; D60-V62 VanDerWaalsContact OD1-CG2 3.27Å; D60-V62 WeakPolarHBondContact OD1-CG2 3.35Å; D60-V62 PolarHBondContact OD1-N 3.36Å; D60-W63 PolarHBondContact O-N 2.9Å | ||
| 61 | P | 79.7 | Confident | 71.5 | Confident | 65 Ų | 65 | 71.5 Ų | 71.5 | 42% | 0.422 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -48.5 | -31.8 | 174.6 | -29.5 | 35.5 | 0 | 0 | 0 | 114 | F59 W63 L64 F65 | F59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-W63 VanDerWaalsContact C-N 3.32Å; P61-W63 PolarHBondContact O-N 3.41Å; P61-L64 WeakPolarHBondContact O-CB 3.37Å; P61-L64 PolarHBondContact O-N 3.49Å; P61-L64 VanDerWaalsContact O-N 3.1Å; P61-F65 VanDerWaalsContact O-CD2 3.23Å; P61-F65 WeakPolarHBondContact O-CD2 3.31Å; P61-F65 PolarHBondContact O-N 3.34Å |
| 62 | V | 86.3 | Confident | 74.1 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.3 | -42.8 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 112 | G37 A40 W41 K44 D60 L64 F65 L66 | G37-V62 WeakPolarHBondContact O-CG1 3.29Å; A40-V62 HydrophobicContact CB-CG2 3.73Å; W41-V62 HydrophobicContact CB-CG1 4.01Å; W41-V62 HydrophobicContact CE3-CG1 3.84Å; K44-V62 HydrophobicContact CD-CG2 4.03Å; D60-V62 PolarHBondContact O-N 3.33Å; D60-V62 WeakPolarHBondContact OD1-CB 3.3Å; D60-V62 VanDerWaalsContact OD1-CG2 3.27Å; D60-V62 WeakPolarHBondContact OD1-CG2 3.35Å; D60-V62 PolarHBondContact OD1-N 3.36Å; V62-L64 VanDerWaalsContact C-N 3.29Å; V62-L64 PolarHBondContact O-N 3.45Å; V62-F65 PolarHBondContact O-N 2.92Å; V62-L66 HydrophobicContact CG1-CD1 4.1Å; V62-L66 HydrophobicContact CG1-CG 4.44Å; V62-L66 WeakPolarHBondContact O-CG 3.44Å; V62-L66 PolarHBondContact O-N 3.02Å |
| 63 | W | 87.1 | Confident | 76.4 | Confident | 117 Ų | 117 | 70.2 Ų | 70.2 | 44% | 0.443 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64 | -36.2 | 178.1 | -76.6 | 111.1 | 0 | 0 | 0 | 112.1 | W41 D60 P61 L66 V67 | W41-W63 HydrophobicContact CH2-CH2 4.08Å; W41-W63 AromaticContact CH2-CZ2 3.62Å; W41-W63 HydrophobicContact CH2-CZ2 3.62Å; W41-W63 HydrophobicContact CZ3-CD2 4.44Å; W41-W63 AromaticContact CZ3-CE2 3.74Å; W41-W63 HydrophobicContact CZ3-CH2 4.11Å; W41-W63 AromaticContact CZ3-CZ2 3.56Å; W41-W63 HydrophobicContact CZ3-CZ2 3.56Å; D60-W63 PolarHBondContact O-N 2.9Å; P61-W63 VanDerWaalsContact C-N 3.32Å; P61-W63 PolarHBondContact O-N 3.41Å; W63-L66 PolarHBondContact O-N 2.91Å; W63-V67 WeakPolarHBondContact O-CB 3.33Å; W63-V67 VanDerWaalsContact O-CG2 3.3Å; W63-V67 WeakPolarHBondContact O-CG2 3.38Å; W63-V67 PolarHBondContact O-N 3.4Å |
| 64 | L | 87.8 | Confident | 78.9 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 48% | 0.482 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 176.3 | -63.2 | 174 | 0 | 0 | 0 | 110.9 | F59 P61 V62 L66 V67 V68 | F59-L64 HydrophobicContact CD1-CD2 4.38Å; P61-L64 WeakPolarHBondContact O-CB 3.37Å; P61-L64 PolarHBondContact O-N 3.49Å; P61-L64 VanDerWaalsContact O-N 3.1Å; V62-L64 VanDerWaalsContact C-N 3.29Å; V62-L64 PolarHBondContact O-N 3.45Å; L64-L66 PolarHBondContact O-N 2.98Å; L64-V67 PolarHBondContact O-N 3.31Å; L64-V68 VanDerWaalsContact O-CB 3.27Å; L64-V68 WeakPolarHBondContact O-CB 3.06Å; L64-V68 VanDerWaalsContact O-CG2 3.25Å; L64-V68 WeakPolarHBondContact O-CG2 3.39Å; L64-V68 PolarHBondContact O-N 3.09Å |
| 65 | F | 91.6 | Very high | 81.5 | Confident | 75 Ų | 75 | 65 Ų | 65 | 33% | 0.329 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.8 | -78.7 | -79.2 | 0 | 0 | 0 | 112.5 | F33 I36 P61 V62 G69 | F33-F65 AromaticContact CD1-CD1 3.79Å; F33-F65 HydrophobicContact CD1-CD1 3.79Å; F33-F65 HydrophobicContact CD1-CE1 4.27Å; F33-F65 HydrophobicContact CE1-CD1 4.22Å; F33-F65 HydrophobicContact CE1-CE1 4.27Å; F33-F65 HydrophobicContact CG-CD1 4.31Å; I36-F65 HydrophobicContact CG2-CD1 4.22Å; I36-F65 HydrophobicContact CG2-CE1 4.3Å; I36-F65 HydrophobicContact CG2-CG 4.49Å; P61-F65 VanDerWaalsContact O-CD2 3.23Å; P61-F65 WeakPolarHBondContact O-CD2 3.31Å; P61-F65 PolarHBondContact O-N 3.34Å; V62-F65 PolarHBondContact O-N 2.92Å; F65-G69 WeakPolarHBondContact O-CA 3.46Å; F65-G69 PolarHBondContact O-N 3.25Å |
| 66 | L | 92.7 | Very high | 84 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 17% | 0.168 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 179.7 | -68.7 | 176.6 | 0 | 0 | 0 | 112.6 | L34 L38 W41 V62 W63 L64 G70 | L34-L66 HydrophobicContact CD2-CD2 4.41Å; L38-L66 HydrophobicContact CD2-CD2 3.95Å; L38-L66 HydrophobicContact CG-CD2 3.95Å; W41-L66 HydrophobicContact CE3-CD1 4.13Å; V62-L66 HydrophobicContact CG1-CD1 4.1Å; V62-L66 HydrophobicContact CG1-CG 4.44Å; V62-L66 WeakPolarHBondContact O-CG 3.44Å; V62-L66 PolarHBondContact O-N 3.02Å; W63-L66 PolarHBondContact O-N 2.91Å; L64-L66 PolarHBondContact O-N 2.98Å; L66-G70 PolarHBondContact O-N 3.01Å |
| 67 | V | 93 | Very high | 86.5 | Confident | 91 Ų | 91 | 60.4 Ų | 60.4 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.1 | -50.2 | -179.1 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | W63 L64 G70 V71 | W63-V67 WeakPolarHBondContact O-CB 3.33Å; W63-V67 VanDerWaalsContact O-CG2 3.3Å; W63-V67 WeakPolarHBondContact O-CG2 3.38Å; W63-V67 PolarHBondContact O-N 3.4Å; L64-V67 PolarHBondContact O-N 3.31Å; V67-G70 PolarHBondContact O-N 3.47Å; V67-V71 WeakPolarHBondContact O-CG2 3.38Å; V67-V71 PolarHBondContact O-N 3.41Å |
| 68 | V | 94.7 | Very high | 88.8 | Confident | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | -179.9 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | F33 L64 G70 V71 M72 | F33-V68 HydrophobicContact CD1-CG1 4.17Å; F33-V68 HydrophobicContact CE1-CG1 4.26Å; L64-V68 VanDerWaalsContact O-CB 3.27Å; L64-V68 WeakPolarHBondContact O-CB 3.06Å; L64-V68 VanDerWaalsContact O-CG2 3.25Å; L64-V68 WeakPolarHBondContact O-CG2 3.39Å; L64-V68 PolarHBondContact O-N 3.09Å; V68-G70 PolarHBondContact O-N 2.95Å; V68-V71 PolarHBondContact O-N 3Å; V68-M72 HydrophobicContact CG1-CE 3.81Å; V68-M72 HydrophobicContact CG1-SD 4.26Å; V68-M72 WeakPolarHBondContact O-CB 3.33Å; V68-M72 WeakPolarHBondContact O-CG 3.29Å; V68-M72 PolarHBondContact O-N 3.4Å |
| 69 | G | 97.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | F65 M72 F73 | F65-G69 WeakPolarHBondContact O-CA 3.46Å; F65-G69 PolarHBondContact O-N 3.25Å; G69-M72 PolarHBondContact O-N 3.01Å; G69-F73 VanDerWaalsContact O-CB 3.3Å; G69-F73 WeakPolarHBondContact O-CB 3.12Å; G69-F73 PolarHBondContact O-N 3.44Å |
| 70 | G | 97.5 | Very high | 92.7 | Very high | 18 Ų | 18 | 48 Ų | 48 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | L66 V67 V68 F73 I74 | L66-G70 PolarHBondContact O-N 3.01Å; V67-G70 PolarHBondContact O-N 3.47Å; V68-G70 PolarHBondContact O-N 2.95Å; G70-F73 PolarHBondContact O-N 3.39Å; G70-I74 VanDerWaalsContact O-CG1 3.32Å; G70-I74 WeakPolarHBondContact O-CG1 3.2Å; G70-I74 PolarHBondContact O-N 3.48Å |
| 71 | V | 97.1 | Very high | 93.7 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | V67 V68 F73 I74 L75 I101 | V67-V71 WeakPolarHBondContact O-CG2 3.38Å; V67-V71 PolarHBondContact O-N 3.41Å; V68-V71 PolarHBondContact O-N 3Å; V71-F73 VanDerWaalsContact C-N 3.34Å; V71-F73 PolarHBondContact O-N 2.89Å; V71-I74 PolarHBondContact O-N 2.92Å; V71-L75 HydrophobicContact CG1-CD1 3.83Å; V71-L75 HydrophobicContact CG1-CG 4.35Å; V71-L75 WeakPolarHBondContact O-CB 3.39Å; V71-L75 WeakPolarHBondContact O-CG 3.3Å; V71-L75 PolarHBondContact O-N 3.1Å; V71-I101 HydrophobicContact CG1-CD1 3.74Å |
| 72 | M | 96.8 | Very high | 94.5 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 18% | 0.177 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 177.7 | -72.2 | -171 | -58.9 | 0 | 0 | 112.2 | F33 V68 G69 G76 | F33-M72 HydrophobicContact CB-CE 3.86Å; F33-M72 HydrophobicContact CD1-CE 3.7Å; F33-M72 HydrophobicContact CD2-CE 3.79Å; F33-M72 HydrophobicContact CE1-CE 4.15Å; F33-M72 HydrophobicContact CE2-CE 4.23Å; F33-M72 HydrophobicContact CG-CE 3.5Å; F33-M72 VanDerWaalsContact CG-CE 3.5Å; F33-M72 HydrophobicContact CZ-CE 4.39Å; V68-M72 HydrophobicContact CG1-CE 3.81Å; V68-M72 HydrophobicContact CG1-SD 4.26Å; V68-M72 WeakPolarHBondContact O-CB 3.33Å; V68-M72 WeakPolarHBondContact O-CG 3.29Å; V68-M72 PolarHBondContact O-N 3.4Å; G69-M72 PolarHBondContact O-N 3.01Å; M72-G76 PolarHBondContact O-N 2.82Å |
| 73 | F | 97.5 | Very high | 94.9 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 32% | 0.32 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.2 | -49.5 | 177.9 | 176.9 | -97.3 | 0 | 0 | 0 | 111.9 | W27 I31 L34 G69 G70 V71 F77 | W27-F73 AromaticContact CD1-CD2 3.64Å; W27-F73 AromaticContact CD1-CE2 3.91Å; W27-F73 AromaticContact CE2-CE2 3.94Å; W27-F73 HydrophobicContact CZ2-CE2 4.33Å; W27-F73 AromaticContact NE1-CD2 3.34Å; W27-F73 VanDerWaalsContact NE1-CD2 3.34Å; W27-F73 AromaticContact NE1-CE2 3.1Å; W27-F73 AromaticContact NE1-CZ 3.85Å; I31-F73 HydrophobicContact CD1-CE2 4.31Å; I31-F73 HydrophobicContact CG1-CD2 3.74Å; I31-F73 HydrophobicContact CG1-CE2 3.9Å; L34-F73 HydrophobicContact CD1-CB 3.84Å; L34-F73 HydrophobicContact CD1-CG 4.1Å; G69-F73 VanDerWaalsContact O-CB 3.3Å; G69-F73 WeakPolarHBondContact O-CB 3.12Å; G69-F73 PolarHBondContact O-N 3.44Å; G70-F73 PolarHBondContact O-N 3.39Å; V71-F73 VanDerWaalsContact C-N 3.34Å; V71-F73 PolarHBondContact O-N 2.89Å; F73-F77 WeakPolarHBondContact O-CB 3.39Å; F73-F77 PolarHBondContact O-N 2.87Å |
| 74 | I | 97.2 | Very high | 95.2 | Very high | 95 Ų | 95 | 43.2 Ų | 43.2 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.3 | -48.2 | -178.1 | -68.6 | 166.2 | 0 | 0 | 0 | 110.9 | G70 V71 F77 A78 F93 | G70-I74 VanDerWaalsContact O-CG1 3.32Å; G70-I74 WeakPolarHBondContact O-CG1 3.2Å; G70-I74 PolarHBondContact O-N 3.48Å; V71-I74 PolarHBondContact O-N 2.92Å; I74-F77 PolarHBondContact O-N 2.88Å; I74-A78 VanDerWaalsContact O-CB 3.31Å; I74-A78 WeakPolarHBondContact O-CB 3.32Å; I74-A78 PolarHBondContact O-N 3.24Å; I74-F93 HydrophobicContact CG2-CE1 4.05Å; I74-F93 HydrophobicContact CG2-CZ 4.16Å |
| 75 | L | 97.2 | Very high | 95.5 | Very high | 18 Ų | 18 | 48.3 Ų | 48.3 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.7 | -42.7 | -178.9 | -65 | -177.5 | 0 | 0 | 0 | 112 | V71 F77 A78 G79 F93 F94 F97 I101 | V71-L75 HydrophobicContact CG1-CD1 3.83Å; V71-L75 HydrophobicContact CG1-CG 4.35Å; V71-L75 WeakPolarHBondContact O-CB 3.39Å; V71-L75 WeakPolarHBondContact O-CG 3.3Å; V71-L75 PolarHBondContact O-N 3.1Å; L75-F77 PolarHBondContact O-N 3.37Å; L75-A78 PolarHBondContact O-N 2.91Å; L75-G79 PolarHBondContact O-N 3.44Å; L75-F93 HydrophobicContact CD2-CE1 4.06Å; L75-F94 HydrophobicContact CB-CD2 4.23Å; L75-F94 WeakPolarHBondContact O-CD2 3.37Å; L75-F97 HydrophobicContact CD1-CB 4.45Å; L75-F97 HydrophobicContact CD2-CB 3.55Å; L75-F97 HydrophobicContact CD2-CG 4.26Å; L75-I101 HydrophobicContact CD1-CD1 3.49Å; L75-I101 VanDerWaalsContact CD1-CD1 3.49Å |
| 76 | G | 96.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M72 C80 | M72-G76 PolarHBondContact O-N 2.82Å; G76-C80 VanDerWaalsContact O-CB 3.31Å; G76-C80 WeakPolarHBondContact O-CB 3.21Å; G76-C80 PolarHBondContact O-N 2.94Å; G76-C80 PolarHBondContact O-SG 3.32Å |
| 77 | F | 95.2 | Very high | 95.6 | Very high | 99 Ų | 99 | 49.8 Ų | 49.8 | 43% | 0.434 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 175.2 | -178 | -102 | 0 | 0 | 0 | 111.9 | F73 I74 L75 G79 C80 I81 | F73-F77 WeakPolarHBondContact O-CB 3.39Å; F73-F77 PolarHBondContact O-N 2.87Å; I74-F77 PolarHBondContact O-N 2.88Å; L75-F77 PolarHBondContact O-N 3.37Å; F77-G79 PolarHBondContact O-N 3.02Å; F77-C80 PolarHBondContact O-N 3.03Å; F77-I81 HydrophobicContact CD1-CG1 4.44Å; F77-I81 HydrophobicContact CD2-CG1 4.18Å; F77-I81 HydrophobicContact CE1-CG1 4.08Å; F77-I81 HydrophobicContact CE2-CD1 4.22Å; F77-I81 HydrophobicContact CE2-CG1 3.79Å; F77-I81 HydrophobicContact CG-CG1 4.49Å; F77-I81 HydrophobicContact CZ-CD1 4.38Å; F77-I81 HydrophobicContact CZ-CG1 3.74Å; F77-I81 WeakPolarHBondContact O-CG1 3.35Å; F77-I81 PolarHBondContact O-N 3.14Å |
| 78 | A | 96.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | I74 L75 G82 F93 | I74-A78 VanDerWaalsContact O-CB 3.31Å; I74-A78 WeakPolarHBondContact O-CB 3.32Å; I74-A78 PolarHBondContact O-N 3.24Å; L75-A78 PolarHBondContact O-N 2.91Å; A78-G82 WeakPolarHBondContact O-CA 3.17Å; A78-G82 PolarHBondContact O-N 3.1Å; A78-F93 HydrophobicContact CB-CD1 3.84Å; A78-F93 HydrophobicContact CB-CE1 4.1Å |
| 79 | G | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L75 F77 A83 | L75-G79 PolarHBondContact O-N 3.44Å; F77-G79 PolarHBondContact O-N 3.02Å; G79-A83 VanDerWaalsContact O-CB 3.26Å; G79-A83 WeakPolarHBondContact O-CB 3.5Å; G79-A83 PolarHBondContact O-N 3.47Å |
| 80 | C | 95.2 | Very high | 95.8 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -56 | 177.1 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | F20 N23 V24 G76 F77 A83 L84 | F20-C80 HydrophobicContact CD2-CB 4.13Å; F20-C80 HydrophobicContact CE2-CB 4.18Å; N23-C80 VanDerWaalsContact CB-SG 3.56Å; V24-C80 VanDerWaalsContact CG2-SG 3.54Å; V24-C80 PolarHBondContact N-SG 3.37Å; V24-C80 VanDerWaalsContact N-SG 3.37Å; G76-C80 VanDerWaalsContact O-CB 3.31Å; G76-C80 WeakPolarHBondContact O-CB 3.21Å; G76-C80 PolarHBondContact O-N 2.94Å; G76-C80 PolarHBondContact O-SG 3.32Å; F77-C80 PolarHBondContact O-N 3.03Å; C80-A83 PolarHBondContact O-N 3.25Å; C80-L84 WeakPolarHBondContact O-CG 3.3Å; C80-L84 PolarHBondContact O-N 3.36Å |
| 81 | I | 95.7 | Very high | 95.7 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 29% | 0.292 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.2 | -39.9 | -177.9 | -60.8 | -60.6 | 0 | 0 | 0 | 110.4 | F77 A83 L84 R85 L90 | F77-I81 HydrophobicContact CD1-CG1 4.44Å; F77-I81 HydrophobicContact CD2-CG1 4.18Å; F77-I81 HydrophobicContact CE1-CG1 4.08Å; F77-I81 HydrophobicContact CE2-CD1 4.22Å; F77-I81 HydrophobicContact CE2-CG1 3.79Å; F77-I81 HydrophobicContact CG-CG1 4.49Å; F77-I81 HydrophobicContact CZ-CD1 4.38Å; F77-I81 HydrophobicContact CZ-CG1 3.74Å; F77-I81 WeakPolarHBondContact O-CG1 3.35Å; F77-I81 PolarHBondContact O-N 3.14Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 2.92Å; I81-L84 PolarHBondContact O-N 2.71Å; I81-R85 HydrophobicContact CG2-CG 3.96Å; I81-R85 VanDerWaalsContact O-CB 3.24Å; I81-R85 WeakPolarHBondContact O-CB 3.29Å; I81-R85 PolarHBondContact O-N 2.92Å; I81-L90 HydrophobicContact CB-CD2 3.88Å; I81-L90 HydrophobicContact CG2-CD2 3.78Å |
| 82 | G | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.1 | -46.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A78 E86 N87 | A78-G82 WeakPolarHBondContact O-CA 3.17Å; A78-G82 PolarHBondContact O-N 3.1Å; G82-E86 CarbonylContact O-C 3Å; G82-E86 WeakPolarHBondContact O-CA 3.32Å; G82-E86 PolarHBondContact O-N 3.39Å; G82-E86 VanDerWaalsContact O-N 3.1Å; G82-N87 PolarHBondContact O-N 2.83Å |
| 83 | A | 94.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.4 | -50.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K16 I19 F20 G79 C80 I81 E86 L91 L257 | K16-A83 WeakPolarHBondContact CE-O 3.47Å; I19-A83 HydrophobicContact CG2-CB 4.08Å; F20-A83 HydrophobicContact CB-CB 4.41Å; G79-A83 VanDerWaalsContact O-CB 3.26Å; G79-A83 WeakPolarHBondContact O-CB 3.5Å; G79-A83 PolarHBondContact O-N 3.47Å; C80-A83 PolarHBondContact O-N 3.25Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 2.92Å; A83-E86 PolarHBondContact O-N 3.44Å; A83-L91 HydrophobicContact CB-CD2 4.48Å; A83-L257 HydrophobicContact CB-CD2 4.09Å |
| 84 | L | 93.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 50.7 Ų | 50.7 | 38% | 0.382 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.5 | -43.5 | -176.6 | -74.9 | -179.9 | 0 | 0 | 0 | 113.2 | K16 F20 C80 I81 E86 | K16-L84 PolarHBondContact NZ-O 3.28Å; F20-L84 HydrophobicContact CD1-CD2 4.42Å; F20-L84 HydrophobicContact CD2-CD1 3.81Å; F20-L84 HydrophobicContact CD2-CD2 3.94Å; F20-L84 HydrophobicContact CD2-CG 3.59Å; F20-L84 HydrophobicContact CE2-CD1 3.38Å; F20-L84 HydrophobicContact CE2-CD2 4.15Å; F20-L84 HydrophobicContact CE2-CG 3.74Å; F20-L84 HydrophobicContact CG-CD2 4.09Å; F20-L84 HydrophobicContact CG-CG 4.22Å; F20-L84 HydrophobicContact CZ-CD1 3.96Å; F20-L84 HydrophobicContact CZ-CD2 4.45Å; F20-L84 HydrophobicContact CZ-CG 4.45Å; C80-L84 WeakPolarHBondContact O-CG 3.3Å; C80-L84 PolarHBondContact O-N 3.36Å; I81-L84 PolarHBondContact O-N 2.71Å; L84-E86 VanDerWaalsContact C-N 3.29Å |
| 85 | R | 94.5 | Very high | 95.6 | Very high | 200 Ų | 200 | 46.5 Ų | 46.5 | 76% | 0.755 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.1 | -179.4 | -64.7 | -67.3 | -169.8 | 172.3 | 0.1 | 113.2 | I81 N87 | I81-R85 HydrophobicContact CG2-CG 3.96Å; I81-R85 VanDerWaalsContact O-CB 3.24Å; I81-R85 WeakPolarHBondContact O-CB 3.29Å; I81-R85 PolarHBondContact O-N 2.92Å; R85-N87 HydrophobicContact CB-CB 4.37Å; R85-N87 PolarHBondContact O-N 3.34Å; R85-N87 VanDerWaalsContact O-N 3.14Å |
| 86 | E | 92.9 | Very high | 95.7 | Very high | 73 Ų | 73 | 49.6 Ų | 49.6 | 34% | 0.341 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 39.5 | -175.9 | -67.3 | 167.9 | -153.1 | 0 | 0 | 111.3 | K16 G82 A83 L84 T88 I261 | K16-E86 IonicContact NZ-OE1 2.81Å; K16-E86 PolarHBondContact NZ-OE1 2.96Å; G82-E86 CarbonylContact O-C 3Å; G82-E86 WeakPolarHBondContact O-CA 3.32Å; G82-E86 PolarHBondContact O-N 3.39Å; G82-E86 VanDerWaalsContact O-N 3.1Å; A83-E86 PolarHBondContact O-N 3.44Å; L84-E86 VanDerWaalsContact C-N 3.29Å; E86-T88 PolarHBondContact O-N 2.91Å; E86-I261 HydrophobicContact CB-CD1 3.75Å; E86-I261 HydrophobicContact CB-CG1 4.04Å; E86-I261 HydrophobicContact CG-CD1 4.12Å; E86-I261 HydrophobicContact CG-CG1 4.27Å |
| 87 | N | 94.4 | Very high | 95.7 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 34% | 0.342 | 25% | 0.252 | S | S | . | . | trans | -91 | 101.3 | -177.4 | -171.3 | -30 | 0 | 0 | 0 | 109.6 | G82 R85 F89 L90 L91 | G82-N87 PolarHBondContact O-N 2.83Å; R85-N87 HydrophobicContact CB-CB 4.37Å; R85-N87 PolarHBondContact O-N 3.34Å; R85-N87 VanDerWaalsContact O-N 3.14Å; N87-F89 PolarHBondContact O-N 3.19Å; N87-F89 WeakPolarHBondContact OD1-CB 3.42Å; N87-F89 PolarHBondContact OD1-N 2.94Å; N87-L90 HydrophobicContact CB-CB 4.4Å; N87-L90 HydrophobicContact CB-CD1 4.21Å; N87-L90 WeakPolarHBondContact ND2-CD1 3.49Å; N87-L90 PolarHBondContact O-N 3.36Å; N87-L90 PolarHBondContact OD1-N 2.91Å; N87-L91 PolarHBondContact O-N 3.3Å; N87-L91 VanDerWaalsContact O-N 3.11Å | ||
| 88 | T | 95 | Very high | 95.8 | Very high | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -30.8 | -178.5 | 57 | 0 | 0 | 0 | 0 | 113.4 | E86 K92 V258 I261 E262 | E86-T88 PolarHBondContact O-N 2.91Å; T88-K92 VanDerWaalsContact O-CB 3.31Å; T88-K92 WeakPolarHBondContact O-CB 3.31Å; T88-K92 VanDerWaalsContact O-CG 3.23Å; T88-K92 WeakPolarHBondContact O-CG 3.3Å; T88-K92 PolarHBondContact O-N 3.43Å; T88-V258 HydrophobicContact CG2-CG1 4.39Å; T88-I261 HydrophobicContact CG2-CB 3.89Å; T88-I261 HydrophobicContact CG2-CD1 4.3Å; T88-I261 HydrophobicContact CG2-CG2 3.53Å; T88-E262 HydrophobicContact CG2-CG 4.28Å |
| 89 | F | 96.9 | Very high | 95.9 | Very high | 153 Ų | 153 | 50.3 Ų | 50.3 | 67% | 0.671 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.6 | -45.2 | 176.8 | 179.1 | -98.7 | 0 | 0 | 0 | 111.4 | N87 K92 F93 | N87-F89 PolarHBondContact O-N 3.19Å; N87-F89 WeakPolarHBondContact OD1-CB 3.42Å; N87-F89 PolarHBondContact OD1-N 2.94Å; F89-K92 PolarHBondContact O-N 3.02Å; F89-F93 WeakPolarHBondContact O-CB 3.46Å; F89-F93 PolarHBondContact O-N 3.26Å |
| 90 | L | 96.3 | Very high | 96 | Very high | 38 Ų | 38 | 54.1 Ų | 54.1 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 177.7 | -88.8 | 79.8 | 0 | 0 | 0 | 111.9 | I81 N87 F93 F94 | I81-L90 HydrophobicContact CB-CD2 3.88Å; I81-L90 HydrophobicContact CG2-CD2 3.78Å; N87-L90 HydrophobicContact CB-CB 4.4Å; N87-L90 HydrophobicContact CB-CD1 4.21Å; N87-L90 WeakPolarHBondContact ND2-CD1 3.49Å; N87-L90 PolarHBondContact O-N 3.36Å; N87-L90 PolarHBondContact OD1-N 2.91Å; L90-F93 WeakPolarHBondContact O-CB 3.32Å; L90-F93 PolarHBondContact O-N 3.21Å; L90-F94 WeakPolarHBondContact O-CB 3.49Å; L90-F94 PolarHBondContact O-N 2.94Å |
| 91 | L | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 176.6 | -71.5 | 169.8 | 0 | 0 | 0 | 112 | A83 N87 F94 S95 L257 V258 I261 | A83-L91 HydrophobicContact CB-CD2 4.48Å; N87-L91 PolarHBondContact O-N 3.3Å; N87-L91 VanDerWaalsContact O-N 3.11Å; L91-F94 PolarHBondContact O-N 3.44Å; L91-S95 WeakPolarHBondContact O-CB 3.49Å; L91-S95 PolarHBondContact O-N 3.49Å; L91-L257 HydrophobicContact CD1-CB 4.42Å; L91-L257 HydrophobicContact CD1-CD2 3.71Å; L91-L257 HydrophobicContact CD1-CG 3.81Å; L91-L257 HydrophobicContact CD2-CD2 4.13Å; L91-V258 HydrophobicContact CB-CG2 3.44Å; L91-V258 VanDerWaalsContact CB-CG2 3.44Å; L91-V258 HydrophobicContact CD1-CG2 3.99Å; L91-V258 HydrophobicContact CG-CG2 4.37Å; L91-I261 HydrophobicContact CD1-CD1 3.77Å |
| 92 | K | 96.8 | Very high | 96.2 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 37% | 0.365 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 173.1 | -75.4 | 178.1 | -175.3 | -179.8 | 0 | 111.2 | T88 F89 S95 V96 V258 E262 | T88-K92 VanDerWaalsContact O-CB 3.31Å; T88-K92 WeakPolarHBondContact O-CB 3.31Å; T88-K92 VanDerWaalsContact O-CG 3.23Å; T88-K92 WeakPolarHBondContact O-CG 3.3Å; T88-K92 PolarHBondContact O-N 3.43Å; F89-K92 PolarHBondContact O-N 3.02Å; K92-S95 PolarHBondContact O-N 3.4Å; K92-V96 WeakPolarHBondContact O-CB 3.44Å; K92-V96 VanDerWaalsContact O-CG2 3.26Å; K92-V96 WeakPolarHBondContact O-CG2 3.49Å; K92-V96 PolarHBondContact O-N 2.96Å; K92-V258 VanDerWaalsContact CE-CG1 3.46Å; K92-V258 HydrophobicContact CG-CG1 4.31Å; K92-V258 HydrophobicContact CG-CG2 4.28Å; K92-E262 WeakPolarHBondContact CE-OE1 3.44Å; K92-E262 IonicContact NZ-OE1 2.7Å; K92-E262 PolarHBondContact NZ-OE1 3.31Å |
| 93 | F | 97.3 | Very high | 96.3 | Very high | 69 Ų | 69 | 61.1 Ų | 61.1 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.6 | -54.7 | 173.1 | 172.9 | -88 | 0 | 0 | 0 | 110.8 | I74 L75 A78 F89 L90 S95 V96 F97 | I74-F93 HydrophobicContact CG2-CE1 4.05Å; I74-F93 HydrophobicContact CG2-CZ 4.16Å; L75-F93 HydrophobicContact CD2-CE1 4.06Å; A78-F93 HydrophobicContact CB-CD1 3.84Å; A78-F93 HydrophobicContact CB-CE1 4.1Å; F89-F93 WeakPolarHBondContact O-CB 3.46Å; F89-F93 PolarHBondContact O-N 3.26Å; L90-F93 WeakPolarHBondContact O-CB 3.32Å; L90-F93 PolarHBondContact O-N 3.21Å; F93-S95 PolarHBondContact O-N 2.89Å; F93-V96 PolarHBondContact O-N 3.34Å; F93-F97 HydrophobicContact CD1-CD2 4.26Å; F93-F97 AromaticContact CD2-CD2 3.69Å; F93-F97 HydrophobicContact CD2-CD2 3.69Å; F93-F97 AromaticContact CD2-CE2 3.42Å; F93-F97 HydrophobicContact CD2-CE2 3.42Å; F93-F97 VanDerWaalsContact CD2-CE2 3.42Å; F93-F97 HydrophobicContact CE1-CD2 4.09Å; F93-F97 HydrophobicContact CE1-CE2 4.43Å; F93-F97 AromaticContact CE2-CD2 3.52Å; F93-F97 HydrophobicContact CE2-CD2 3.52Å; F93-F97 AromaticContact CE2-CE2 3.06Å; F93-F97 HydrophobicContact CE2-CE2 3.06Å; F93-F97 AromaticContact CE2-CZ 3.82Å; F93-F97 HydrophobicContact CE2-CZ 3.82Å; F93-F97 HydrophobicContact CG-CD2 4.06Å; F93-F97 HydrophobicContact CG-CE2 4.25Å; F93-F97 AromaticContact CZ-CD2 3.71Å; F93-F97 HydrophobicContact CZ-CD2 3.71Å; F93-F97 AromaticContact CZ-CE2 3.63Å; F93-F97 HydrophobicContact CZ-CE2 3.63Å; F93-F97 HydrophobicContact CZ-CG 4.43Å; F93-F97 HydrophobicContact CZ-CZ 4.24Å; F93-F97 WeakPolarHBondContact O-CD2 3.4Å; F93-F97 PolarHBondContact O-N 3.45Å; F93-F97 VanDerWaalsContact O-N 3.08Å |
| 94 | F | 96.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 66.4 Ų | 66.4 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.1 | -53.2 | 177 | 167.5 | -102.7 | 0 | 0 | 0 | 111.4 | N23 L75 L90 L91 V96 F97 L98 A254 | N23-F94 WeakPolarHBondContact OD1-CE2 3.23Å; N23-F94 WeakPolarHBondContact OD1-CZ 3.43Å; L75-F94 HydrophobicContact CB-CD2 4.23Å; L75-F94 WeakPolarHBondContact O-CD2 3.37Å; L90-F94 WeakPolarHBondContact O-CB 3.49Å; L90-F94 PolarHBondContact O-N 2.94Å; L91-F94 PolarHBondContact O-N 3.44Å; F94-V96 PolarHBondContact O-N 3Å; F94-F97 PolarHBondContact O-N 3.37Å; F94-L98 HydrophobicContact CE1-CD1 3.81Å; F94-L98 HydrophobicContact CE2-CD1 3.89Å; F94-L98 HydrophobicContact CZ-CD1 3.4Å; F94-L98 VanDerWaalsContact CZ-CD1 3.4Å; F94-L98 VanDerWaalsContact O-CB 3.29Å; F94-L98 WeakPolarHBondContact O-CB 3.39Å; F94-L98 PolarHBondContact O-N 2.84Å; F94-A254 HydrophobicContact CD1-CB 3.82Å; F94-A254 HydrophobicContact CE1-CB 3.97Å |
| 95 | S | 96.7 | Very high | 96.5 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | -177.2 | 179.9 | 0 | 0 | 0 | 0 | 113.9 | L91 K92 F93 G99 Q255 | L91-S95 WeakPolarHBondContact O-CB 3.49Å; L91-S95 PolarHBondContact O-N 3.49Å; K92-S95 PolarHBondContact O-N 3.4Å; F93-S95 PolarHBondContact O-N 2.89Å; S95-G99 PolarHBondContact O-N 3.15Å; S95-Q255 VanDerWaalsContact CB-NE2 3.27Å; S95-Q255 PolarHBondContact OG-NE2 2.94Å |
| 96 | V | 97.8 | Very high | 96.6 | Very high | 83 Ų | 83 | 60.7 Ų | 60.7 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.7 | -47.9 | 178.9 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | K92 F93 F94 G99 I100 | K92-V96 WeakPolarHBondContact O-CB 3.44Å; K92-V96 VanDerWaalsContact O-CG2 3.26Å; K92-V96 WeakPolarHBondContact O-CG2 3.49Å; K92-V96 PolarHBondContact O-N 2.96Å; F93-V96 PolarHBondContact O-N 3.34Å; F94-V96 PolarHBondContact O-N 3Å; V96-G99 PolarHBondContact O-N 3.43Å; V96-I100 HydrophobicContact CG1-CD1 4.13Å; V96-I100 WeakPolarHBondContact O-CG1 3.35Å; V96-I100 PolarHBondContact O-N 2.97Å |
| 97 | F | 97.6 | Very high | 96.8 | Very high | 90 Ų | 90 | 60.5 Ų | 60.5 | 40% | 0.395 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 179.2 | -83.4 | -86.9 | 0 | 0 | 0 | 112.5 | L75 F93 F94 G99 I100 I101 | L75-F97 HydrophobicContact CD1-CB 4.45Å; L75-F97 HydrophobicContact CD2-CB 3.55Å; L75-F97 HydrophobicContact CD2-CG 4.26Å; F93-F97 HydrophobicContact CD1-CD2 4.26Å; F93-F97 AromaticContact CD2-CD2 3.69Å; F93-F97 HydrophobicContact CD2-CD2 3.69Å; F93-F97 AromaticContact CD2-CE2 3.42Å; F93-F97 HydrophobicContact CD2-CE2 3.42Å; F93-F97 VanDerWaalsContact CD2-CE2 3.42Å; F93-F97 HydrophobicContact CE1-CD2 4.09Å; F93-F97 HydrophobicContact CE1-CE2 4.43Å; F93-F97 AromaticContact CE2-CD2 3.52Å; F93-F97 HydrophobicContact CE2-CD2 3.52Å; F93-F97 AromaticContact CE2-CE2 3.06Å; F93-F97 HydrophobicContact CE2-CE2 3.06Å; F93-F97 AromaticContact CE2-CZ 3.82Å; F93-F97 HydrophobicContact CE2-CZ 3.82Å; F93-F97 HydrophobicContact CG-CD2 4.06Å; F93-F97 HydrophobicContact CG-CE2 4.25Å; F93-F97 AromaticContact CZ-CD2 3.71Å; F93-F97 HydrophobicContact CZ-CD2 3.71Å; F93-F97 AromaticContact CZ-CE2 3.63Å; F93-F97 HydrophobicContact CZ-CE2 3.63Å; F93-F97 HydrophobicContact CZ-CG 4.43Å; F93-F97 HydrophobicContact CZ-CZ 4.24Å; F93-F97 WeakPolarHBondContact O-CD2 3.4Å; F93-F97 PolarHBondContact O-N 3.45Å; F93-F97 VanDerWaalsContact O-N 3.08Å; F94-F97 PolarHBondContact O-N 3.37Å; F97-G99 VanDerWaalsContact C-N 3.29Å; F97-G99 PolarHBondContact O-N 3.33Å; F97-I100 HydrophobicContact CD1-CD1 4.49Å; F97-I100 PolarHBondContact O-N 3.38Å; F97-I101 WeakPolarHBondContact O-CG1 3.1Å; F97-I101 PolarHBondContact O-N 3.45Å |
| 98 | L | 96.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 172.8 | -145.4 | 175.4 | 0 | 0 | 0 | 111 | F94 I101 F102 Q247 I251 | F94-L98 HydrophobicContact CE1-CD1 3.81Å; F94-L98 HydrophobicContact CE2-CD1 3.89Å; F94-L98 HydrophobicContact CZ-CD1 3.4Å; F94-L98 VanDerWaalsContact CZ-CD1 3.4Å; F94-L98 VanDerWaalsContact O-CB 3.29Å; F94-L98 WeakPolarHBondContact O-CB 3.39Å; F94-L98 PolarHBondContact O-N 2.84Å; L98-I101 PolarHBondContact O-N 3.45Å; L98-F102 PolarHBondContact O-N 2.9Å; L98-Q247 VanDerWaalsContact CD2-CA 3.47Å; L98-Q247 HydrophobicContact CD2-CB 3.28Å; L98-Q247 HydrophobicContact CD2-CG 3.44Å; L98-Q247 VanDerWaalsContact CD2-CG 3.44Å; L98-I251 HydrophobicContact CB-CG1 4.1Å; L98-I251 HydrophobicContact CD1-CG1 4.37Å; L98-I251 HydrophobicContact CD2-CD1 4.16Å; L98-I251 HydrophobicContact CD2-CG1 4.16Å; L98-I251 HydrophobicContact CG-CG1 4.45Å |
| 99 | G | 97.7 | Very high | 96.7 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S95 V96 F97 F102 F103 | S95-G99 PolarHBondContact O-N 3.15Å; V96-G99 PolarHBondContact O-N 3.43Å; F97-G99 VanDerWaalsContact C-N 3.29Å; F97-G99 PolarHBondContact O-N 3.33Å; G99-F102 WeakPolarHBondContact O-CB 3.41Å; G99-F102 PolarHBondContact O-N 3.36Å; G99-F103 WeakPolarHBondContact O-CD2 3.35Å; G99-F103 PolarHBondContact O-N 3.44Å; G99-F103 VanDerWaalsContact O-N 3.1Å |
| 100 | I | 98 | Very high | 96.6 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 42% | 0.415 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 174.4 | -68.6 | 167.4 | 0 | 0 | 0 | 110.3 | V96 F97 F102 F103 L104 | V96-I100 HydrophobicContact CG1-CD1 4.13Å; V96-I100 WeakPolarHBondContact O-CG1 3.35Å; V96-I100 PolarHBondContact O-N 2.97Å; F97-I100 HydrophobicContact CD1-CD1 4.49Å; F97-I100 PolarHBondContact O-N 3.38Å; I100-F102 VanDerWaalsContact C-N 3.32Å; I100-F102 PolarHBondContact O-N 3.06Å; I100-F103 PolarHBondContact O-N 2.96Å; I100-L104 HydrophobicContact CG2-CD1 3.9Å; I100-L104 HydrophobicContact CG2-CG 4.28Å; I100-L104 WeakPolarHBondContact O-CG 3.39Å; I100-L104 PolarHBondContact O-N 3.22Å |
| 101 | I | 97.3 | Very high | 96.6 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 23% | 0.226 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 177.9 | -66.3 | 168.4 | 0 | 0 | 0 | 110.6 | V71 L75 F97 L98 F103 L104 E105 | V71-I101 HydrophobicContact CG1-CD1 3.74Å; L75-I101 HydrophobicContact CD1-CD1 3.49Å; L75-I101 VanDerWaalsContact CD1-CD1 3.49Å; F97-I101 WeakPolarHBondContact O-CG1 3.1Å; F97-I101 PolarHBondContact O-N 3.45Å; L98-I101 PolarHBondContact O-N 3.45Å; I101-F103 PolarHBondContact O-N 2.91Å; I101-L104 WeakPolarHBondContact O-CB 3.24Å; I101-L104 PolarHBondContact O-N 3.03Å; I101-L104 VanDerWaalsContact O-N 3.14Å; I101-E105 HydrophobicContact CG2-CG 4.3Å; I101-E105 WeakPolarHBondContact CG2-OE1 3.25Å; I101-E105 WeakPolarHBondContact O-CG 3.42Å; I101-E105 PolarHBondContact O-N 3.38Å |
| 102 | F | 97.6 | Very high | 96.4 | Very high | 38 Ų | 38 | 61.7 Ų | 61.7 | 17% | 0.167 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.7 | -47.7 | 175.7 | 170.5 | -94.4 | 0 | 0 | 0 | 112.6 | L98 G99 I100 E105 L106 A244 Q247 I248 | L98-F102 PolarHBondContact O-N 2.9Å; G99-F102 WeakPolarHBondContact O-CB 3.41Å; G99-F102 PolarHBondContact O-N 3.36Å; I100-F102 VanDerWaalsContact C-N 3.32Å; I100-F102 PolarHBondContact O-N 3.06Å; F102-E105 PolarHBondContact O-N 2.9Å; F102-L106 HydrophobicContact CZ-CD1 4.47Å; F102-L106 WeakPolarHBondContact O-CB 3.17Å; F102-L106 PolarHBondContact O-N 3.48Å; F102-A244 HydrophobicContact CD2-CB 4.33Å; F102-A244 HydrophobicContact CE2-CB 3.97Å; F102-Q247 VanDerWaalsContact CB-OE1 3.29Å; F102-Q247 HydrophobicContact CD2-CB 4.43Å; F102-I248 HydrophobicContact CD2-CG1 4.22Å; F102-I248 HydrophobicContact CE2-CD1 3.74Å; F102-I248 HydrophobicContact CE2-CG1 3.85Å; F102-I248 HydrophobicContact CZ-CD1 4.06Å; F102-I248 HydrophobicContact CZ-CG1 4.32Å |
| 103 | F | 97.7 | Very high | 96.1 | Very high | 131 Ų | 131 | 65.6 Ų | 65.6 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.7 | -33.6 | 177.6 | -76 | -66.4 | 0 | 0 | 0 | 112.8 | G99 I100 I101 T107 | G99-F103 WeakPolarHBondContact O-CD2 3.35Å; G99-F103 PolarHBondContact O-N 3.44Å; G99-F103 VanDerWaalsContact O-N 3.1Å; I100-F103 PolarHBondContact O-N 2.96Å; I101-F103 PolarHBondContact O-N 2.91Å; F103-T107 VanDerWaalsContact O-CB 3.29Å; F103-T107 WeakPolarHBondContact O-CB 3.47Å; F103-T107 PolarHBondContact O-N 3.44Å; F103-T107 PolarHBondContact O-OG1 3.5Å |
| 104 | L | 97.1 | Very high | 96.1 | Very high | 110 Ų | 110 | 66.5 Ų | 66.5 | 58% | 0.576 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.6 | -43.3 | 173.7 | -72.3 | 174 | 0 | 0 | 0 | 111.6 | I100 I101 T107 A108 | I100-L104 HydrophobicContact CG2-CD1 3.9Å; I100-L104 HydrophobicContact CG2-CG 4.28Å; I100-L104 WeakPolarHBondContact O-CG 3.39Å; I100-L104 PolarHBondContact O-N 3.22Å; I101-L104 WeakPolarHBondContact O-CB 3.24Å; I101-L104 PolarHBondContact O-N 3.03Å; I101-L104 VanDerWaalsContact O-N 3.14Å; L104-T107 PolarHBondContact O-N 2.85Å; L104-A108 VanDerWaalsContact O-CB 3.25Å; L104-A108 WeakPolarHBondContact O-CB 3.3Å; L104-A108 PolarHBondContact O-N 3.15Å |
| 105 | E | 95.7 | Very high | 96 | Very high | 58 Ų | 58 | 71.3 Ų | 71.3 | 27% | 0.271 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 176.2 | -75.8 | 177.4 | -169.3 | 0 | 0 | 111.8 | I101 F102 T107 A108 G109 I243 Q247 | I101-E105 HydrophobicContact CG2-CG 4.3Å; I101-E105 WeakPolarHBondContact CG2-OE1 3.25Å; I101-E105 WeakPolarHBondContact O-CG 3.42Å; I101-E105 PolarHBondContact O-N 3.38Å; F102-E105 PolarHBondContact O-N 2.9Å; E105-T107 VanDerWaalsContact C-N 3.34Å; E105-T107 PolarHBondContact O-N 2.93Å; E105-A108 PolarHBondContact O-N 2.97Å; E105-G109 PolarHBondContact O-N 3.3Å; E105-I243 VanDerWaalsContact OE2-CG2 3.29Å; E105-I243 WeakPolarHBondContact OE2-CG2 3.41Å; E105-Q247 PolarHBondContact OE1-NE2 2.98Å; E105-Q247 PolarHBondContact OE2-NE2 2.9Å; E105-Q247 PolarHBondContact OE2-OE1 3.41Å |
| 106 | L | 96.1 | Very high | 95.8 | Very high | 95 Ų | 95 | 77 Ų | 77 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.3 | -176.3 | 135.4 | 0 | 0 | 0 | 111.3 | F102 G109 V110 | F102-L106 HydrophobicContact CZ-CD1 4.47Å; F102-L106 WeakPolarHBondContact O-CB 3.17Å; F102-L106 PolarHBondContact O-N 3.48Å; L106-G109 PolarHBondContact O-N 3.44Å; L106-V110 VanDerWaalsContact O-CG2 3.31Å; L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 3.23Å |
| 107 | T | 97 | Very high | 95.7 | Very high | 69 Ų | 69 | 77.8 Ų | 77.8 | 42% | 0.423 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | F103 L104 E105 G109 V110 L111 | F103-T107 VanDerWaalsContact O-CB 3.29Å; F103-T107 WeakPolarHBondContact O-CB 3.47Å; F103-T107 PolarHBondContact O-N 3.44Å; F103-T107 PolarHBondContact O-OG1 3.5Å; L104-T107 PolarHBondContact O-N 2.85Å; E105-T107 VanDerWaalsContact C-N 3.34Å; E105-T107 PolarHBondContact O-N 2.93Å; T107-G109 VanDerWaalsContact C-N 3.35Å; T107-G109 PolarHBondContact O-N 3.24Å; T107-V110 PolarHBondContact O-N 3.4Å; T107-L111 HydrophobicContact CG2-CD1 3.89Å; T107-L111 HydrophobicContact CG2-CG 4.24Å; T107-L111 WeakPolarHBondContact O-CB 3.38Å; T107-L111 VanDerWaalsContact O-CG 3.25Å; T107-L111 WeakPolarHBondContact O-CG 3.3Å; T107-L111 PolarHBondContact O-N 2.95Å |
| 108 | A | 94.2 | Very high | 95.5 | Very high | 56 Ų | 56 | 81.1 Ų | 81.1 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L104 E105 L111 A112 | L104-A108 VanDerWaalsContact O-CB 3.25Å; L104-A108 WeakPolarHBondContact O-CB 3.3Å; L104-A108 PolarHBondContact O-N 3.15Å; E105-A108 PolarHBondContact O-N 2.97Å; A108-L111 PolarHBondContact O-N 3.33Å; A108-A112 VanDerWaalsContact O-CB 3.26Å; A108-A112 WeakPolarHBondContact O-CB 3.21Å; A108-A112 PolarHBondContact O-N 3.49Å |
| 109 | G | 94.1 | Very high | 95.2 | Very high | 31 Ų | 31 | 83.6 Ų | 83.6 | 32% | 0.32 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E105 L106 T107 A112 F113 | E105-G109 PolarHBondContact O-N 3.3Å; L106-G109 PolarHBondContact O-N 3.44Å; T107-G109 VanDerWaalsContact C-N 3.35Å; T107-G109 PolarHBondContact O-N 3.24Å; G109-A112 PolarHBondContact O-N 2.99Å; G109-F113 PolarHBondContact O-N 2.99Å |
| 110 | V | 95.2 | Very high | 95 | Very high | 83 Ų | 83 | 85.9 Ų | 85.9 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 175 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L106 T107 A112 F113 V114 | L106-V110 VanDerWaalsContact O-CG2 3.31Å; L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 3.23Å; T107-V110 PolarHBondContact O-N 3.4Å; V110-A112 VanDerWaalsContact C-N 3.33Å; V110-A112 PolarHBondContact O-N 3.5Å; V110-F113 PolarHBondContact O-N 3.37Å; V110-V114 HydrophobicContact CG1-CG2 4.19Å; V110-V114 VanDerWaalsContact O-CG2 3.31Å; V110-V114 WeakPolarHBondContact O-CG2 3.25Å; V110-V114 PolarHBondContact O-N 3.32Å |
| 111 | L | 95.2 | Very high | 94.7 | Very high | 82 Ų | 82 | 86.9 Ų | 86.9 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 178.6 | -70.4 | 176.1 | 0 | 0 | 0 | 111.9 | T107 A108 F113 V114 F115 | T107-L111 HydrophobicContact CG2-CD1 3.89Å; T107-L111 HydrophobicContact CG2-CG 4.24Å; T107-L111 WeakPolarHBondContact O-CB 3.38Å; T107-L111 VanDerWaalsContact O-CG 3.25Å; T107-L111 WeakPolarHBondContact O-CG 3.3Å; T107-L111 PolarHBondContact O-N 2.95Å; A108-L111 PolarHBondContact O-N 3.33Å; L111-F113 VanDerWaalsContact C-N 3.29Å; L111-F113 PolarHBondContact O-N 2.94Å; L111-V114 PolarHBondContact O-N 3.39Å; L111-F115 HydrophobicContact CB-CD2 4.37Å; L111-F115 HydrophobicContact CD2-CD2 3.81Å; L111-F115 HydrophobicContact CD2-CE2 3.56Å; L111-F115 WeakPolarHBondContact O-CB 3.25Å; L111-F115 PolarHBondContact O-N 2.93Å |
| 112 | A | 92.4 | Very high | 94.4 | Very high | 47 Ų | 47 | 89.2 Ų | 89.2 | 39% | 0.388 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A108 G109 V110 K116 I119 | A108-A112 VanDerWaalsContact O-CB 3.26Å; A108-A112 WeakPolarHBondContact O-CB 3.21Å; A108-A112 PolarHBondContact O-N 3.49Å; G109-A112 PolarHBondContact O-N 2.99Å; V110-A112 VanDerWaalsContact C-N 3.33Å; V110-A112 PolarHBondContact O-N 3.5Å; A112-K116 PolarHBondContact O-N 2.91Å; A112-I119 HydrophobicContact CB-CD1 4.05Å |
| 113 | F | 91.2 | Very high | 94.1 | Very high | 167 Ų | 167 | 89.8 Ų | 89.8 | 73% | 0.732 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -72.5 | -44.8 | 175.5 | -176.2 | -97.9 | 0 | 0 | 0 | 112.5 | G109 V110 L111 | G109-F113 PolarHBondContact O-N 2.99Å; V110-F113 PolarHBondContact O-N 3.37Å; L111-F113 VanDerWaalsContact C-N 3.29Å; L111-F113 PolarHBondContact O-N 2.94Å |
| 114 | V | 95.9 | Very high | 93.8 | Very high | 88 Ų | 88 | 87.5 Ų | 87.5 | 53% | 0.533 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | -178 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | V110 L111 | V110-V114 HydrophobicContact CG1-CG2 4.19Å; V110-V114 VanDerWaalsContact O-CG2 3.31Å; V110-V114 WeakPolarHBondContact O-CG2 3.25Å; V110-V114 PolarHBondContact O-N 3.32Å; L111-V114 PolarHBondContact O-N 3.39Å |
| 115 | F | 95.2 | Very high | 93.6 | Very high | 106 Ų | 106 | 88.1 Ų | 88.1 | 47% | 0.465 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 31.6 | -175.5 | -64.1 | -70.2 | 0 | 0 | 0 | 112.9 | L111 D117 W118 I119 | L111-F115 HydrophobicContact CB-CD2 4.37Å; L111-F115 HydrophobicContact CD2-CD2 3.81Å; L111-F115 HydrophobicContact CD2-CE2 3.56Å; L111-F115 WeakPolarHBondContact O-CB 3.25Å; L111-F115 PolarHBondContact O-N 2.93Å; F115-D117 VanDerWaalsContact C-N 3.27Å; F115-D117 PolarHBondContact O-N 2.84Å; F115-W118 HydrophobicContact CB-CB 4.3Å; F115-W118 PolarHBondContact O-N 3.37Å; F115-I119 WeakPolarHBondContact O-CG1 3.4Å; F115-I119 PolarHBondContact O-N 2.85Å |
| 116 | K | 93.3 | Very high | 93.2 | Very high | 127 Ų | 127 | 88.8 Ų | 88.8 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -55.2 | -39.5 | -178.7 | 70.8 | 179.9 | -174.3 | 172.1 | 0 | 113.4 | A112 I119 K120 | A112-K116 PolarHBondContact O-N 2.91Å; K116-I119 PolarHBondContact O-N 3.5Å; K116-K120 PolarHBondContact O-N 3.24Å |
| 117 | D | 94 | Very high | 93 | Very high | 99 Ų | 99 | 85.3 Ų | 85.3 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.8 | -39.1 | -177.2 | -60.3 | -45.6 | 0 | 0 | 0 | 110.3 | F115 I119 K120 D121 | F115-D117 VanDerWaalsContact C-N 3.27Å; F115-D117 PolarHBondContact O-N 2.84Å; D117-I119 PolarHBondContact O-N 3.37Å; D117-K120 WeakPolarHBondContact O-CB 3.44Å; D117-K120 PolarHBondContact O-N 3.12Å; D117-D121 PolarHBondContact O-N 3.12Å |
| 118 | W | 94.2 | Very high | 92.8 | Very high | 159 Ų | 159 | 82.5 Ų | 82.5 | 60% | 0.602 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.6 | -39.8 | 173.1 | 177.4 | 81.3 | 0 | 0 | 0 | 112.2 | F115 K120 D121 Q122 | F115-W118 HydrophobicContact CB-CB 4.3Å; F115-W118 PolarHBondContact O-N 3.37Å; W118-K120 VanDerWaalsContact C-N 3.29Å; W118-K120 PolarHBondContact O-N 2.8Å; W118-D121 PolarHBondContact O-N 3.48Å; W118-Q122 WeakPolarHBondContact O-CB 3.31Å; W118-Q122 PolarHBondContact O-N 3.43Å |
| 119 | I | 90.2 | Very high | 92.6 | Very high | 71 Ų | 71 | 81.6 Ų | 81.6 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 174.1 | -69.4 | 173.6 | 0 | 0 | 0 | 110.6 | A112 F115 K116 D117 Q122 L123 | A112-I119 HydrophobicContact CB-CD1 4.05Å; F115-I119 WeakPolarHBondContact O-CG1 3.4Å; F115-I119 PolarHBondContact O-N 2.85Å; K116-I119 PolarHBondContact O-N 3.5Å; D117-I119 PolarHBondContact O-N 3.37Å; I119-Q122 PolarHBondContact O-N 2.97Å; I119-L123 WeakPolarHBondContact O-CB 3.33Å; I119-L123 PolarHBondContact O-N 3.3Å |
| 120 | K | 92.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 80.7 Ų | 80.7 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 176 | -177.6 | 177.8 | 178.2 | 161.8 | 0 | 111.7 | K116 D117 W118 Q122 L123 Y124 F157 V222 E226 | K116-K120 PolarHBondContact O-N 3.24Å; D117-K120 WeakPolarHBondContact O-CB 3.44Å; D117-K120 PolarHBondContact O-N 3.12Å; W118-K120 VanDerWaalsContact C-N 3.29Å; W118-K120 PolarHBondContact O-N 2.8Å; K120-Q122 VanDerWaalsContact C-N 3.32Å; K120-Q122 PolarHBondContact O-N 3.4Å; K120-L123 PolarHBondContact O-N 3.46Å; K120-Y124 WeakPolarHBondContact O-CB 3.25Å; K120-Y124 PolarHBondContact O-N 2.86Å; K120-F157 HydrophobicContact CG-CZ 4.44Å; K120-V222 HydrophobicContact CD-CG1 4.37Å; K120-V222 HydrophobicContact CG-CG1 3.56Å; K120-E226 IonicContact NZ-OE2 3.78Å; K120-E226 PolarHBondContact NZ-OE2 3.47Å |
| 121 | D | 93.4 | Very high | 92.1 | Very high | 101 Ų | 101 | 76.8 Ų | 76.8 | 54% | 0.54 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.6 | -69.9 | -21.7 | 0 | 0 | 0 | 111.8 | D117 W118 Y124 F125 | D117-D121 PolarHBondContact O-N 3.12Å; W118-D121 PolarHBondContact O-N 3.48Å; D121-Y124 WeakPolarHBondContact O-CB 3.29Å; D121-Y124 PolarHBondContact O-N 3.36Å; D121-F125 PolarHBondContact O-N 3.02Å |
| 122 | Q | 90.3 | Very high | 92 | Very high | 93 Ų | 93 | 79.3 Ų | 79.3 | 44% | 0.435 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 177 | -174.4 | 67.4 | -39.3 | 0 | 0 | 112 | W118 I119 K120 Y124 F125 F126 | W118-Q122 WeakPolarHBondContact O-CB 3.31Å; W118-Q122 PolarHBondContact O-N 3.43Å; I119-Q122 PolarHBondContact O-N 2.97Å; K120-Q122 VanDerWaalsContact C-N 3.32Å; K120-Q122 PolarHBondContact O-N 3.4Å; Q122-Y124 VanDerWaalsContact C-N 3.34Å; Q122-F125 PolarHBondContact O-N 3.35Å; Q122-F126 VanDerWaalsContact O-CB 3.27Å; Q122-F126 WeakPolarHBondContact O-CB 3.27Å; Q122-F126 PolarHBondContact O-N 2.96Å |
| 123 | L | 90.4 | Very high | 91.9 | Very high | 50 Ų | 50 | 77.6 Ų | 77.6 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 174.2 | -175.4 | 63.2 | 0 | 0 | 0 | 111 | I119 K120 F126 I127 V222 F225 | I119-L123 WeakPolarHBondContact O-CB 3.33Å; I119-L123 PolarHBondContact O-N 3.3Å; K120-L123 PolarHBondContact O-N 3.46Å; L123-F126 PolarHBondContact O-N 3.11Å; L123-I127 HydrophobicContact CD1-CD1 4.08Å; L123-I127 HydrophobicContact CD1-CG1 4.31Å; L123-I127 HydrophobicContact CG-CD1 3.94Å; L123-I127 VanDerWaalsContact O-CG1 3.3Å; L123-I127 WeakPolarHBondContact O-CG1 3.36Å; L123-I127 PolarHBondContact O-N 2.91Å; L123-V222 HydrophobicContact CD2-CG1 4.4Å; L123-V222 HydrophobicContact CD2-CG2 4.18Å; L123-V222 HydrophobicContact CG-CG2 4.08Å; L123-F225 HydrophobicContact CD2-CD1 4.03Å |
| 124 | Y | 93.2 | Very high | 91.9 | Very high | 84 Ų | 84 | 69.7 Ų | 69.7 | 33% | 0.329 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59 | -50 | 173.3 | 169 | -104.6 | 0 | 0 | 0 | 111.8 | K120 D121 Q122 F126 I127 N128 A156 F157 | K120-Y124 WeakPolarHBondContact O-CB 3.25Å; K120-Y124 PolarHBondContact O-N 2.86Å; D121-Y124 WeakPolarHBondContact O-CB 3.29Å; D121-Y124 PolarHBondContact O-N 3.36Å; Q122-Y124 VanDerWaalsContact C-N 3.34Å; Y124-F126 VanDerWaalsContact C-N 3.35Å; Y124-F126 PolarHBondContact O-N 3.36Å; Y124-I127 PolarHBondContact O-N 2.82Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.27Å; Y124-N128 WeakPolarHBondContact O-CB 3.25Å; Y124-N128 PolarHBondContact O-N 3.19Å; Y124-N128 PolarHBondContact OH-ND2 3Å; Y124-N128 VanDerWaalsContact OH-ND2 3.09Å; Y124-A156 HydrophobicContact CD2-CB 3.64Å; Y124-A156 HydrophobicContact CE2-CB 4.1Å; Y124-F157 HydrophobicContact CD1-CE2 4.41Å; Y124-F157 AromaticContact CD2-CD2 3.15Å; Y124-F157 HydrophobicContact CD2-CD2 3.15Å; Y124-F157 AromaticContact CD2-CE2 3.15Å; Y124-F157 HydrophobicContact CD2-CE2 3.15Å; Y124-F157 HydrophobicContact CD2-CG 4.3Å; Y124-F157 HydrophobicContact CD2-CZ 4.32Å; Y124-F157 AromaticContact CE2-CD2 3.33Å; Y124-F157 HydrophobicContact CE2-CD2 3.33Å; Y124-F157 AromaticContact CE2-CE2 3.72Å; Y124-F157 HydrophobicContact CE2-CE2 3.72Å; Y124-F157 HydrophobicContact CE2-CG 4.49Å; Y124-F157 HydrophobicContact CG-CD2 4.03Å; Y124-F157 AromaticContact CG-CE2 3.54Å; Y124-F157 HydrophobicContact CG-CE2 3.54Å |
| 125 | F | 91.6 | Very high | 91.6 | Very high | 122 Ų | 122 | 69.7 Ų | 69.7 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 177.7 | -179.8 | -96 | 0 | 0 | 0 | 111.7 | D121 Q122 N128 N129 | D121-F125 PolarHBondContact O-N 3.02Å; Q122-F125 PolarHBondContact O-N 3.35Å; F125-N128 PolarHBondContact O-N 3.34Å; F125-N129 WeakPolarHBondContact O-CB 3.36Å; F125-N129 PolarHBondContact O-N 2.98Å |
| 126 | F | 88.2 | Confident | 91.2 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 32% | 0.316 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.7 | -52.5 | 177.6 | 175 | -100 | 0 | 0 | 0 | 111.7 | Q122 L123 Y124 N128 N129 N130 | Q122-F126 VanDerWaalsContact O-CB 3.27Å; Q122-F126 WeakPolarHBondContact O-CB 3.27Å; Q122-F126 PolarHBondContact O-N 2.96Å; L123-F126 PolarHBondContact O-N 3.11Å; Y124-F126 VanDerWaalsContact C-N 3.35Å; Y124-F126 PolarHBondContact O-N 3.36Å; F126-N128 VanDerWaalsContact C-N 3.34Å; F126-N128 PolarHBondContact O-N 3.45Å; F126-N129 PolarHBondContact O-N 3.46Å; F126-N130 WeakPolarHBondContact CD1-ND2 3.31Å; F126-N130 WeakPolarHBondContact CE1-ND2 3.31Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.38Å; F126-N130 WeakPolarHBondContact CZ-ND2 3.37Å; F126-N130 VanDerWaalsContact O-CB 3.28Å; F126-N130 WeakPolarHBondContact O-CB 3.39Å; F126-N130 VanDerWaalsContact O-CG 3.26Å; F126-N130 PolarHBondContact O-N 3.02Å; F126-N130 PolarHBondContact O-ND2 3.44Å |
| 127 | I | 90.8 | Very high | 90.7 | Very high | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 179.9 | -66.4 | 169.9 | 0 | 0 | 0 | 110.4 | L123 Y124 N129 N130 I131 A156 C221 V222 | L123-I127 HydrophobicContact CD1-CD1 4.08Å; L123-I127 HydrophobicContact CD1-CG1 4.31Å; L123-I127 HydrophobicContact CG-CD1 3.94Å; L123-I127 VanDerWaalsContact O-CG1 3.3Å; L123-I127 WeakPolarHBondContact O-CG1 3.36Å; L123-I127 PolarHBondContact O-N 2.91Å; Y124-I127 PolarHBondContact O-N 2.82Å; I127-N129 PolarHBondContact O-N 2.89Å; I127-N130 CarbonylContact O-C 3.42Å; I127-N130 WeakPolarHBondContact O-CB 3.37Å; I127-N130 PolarHBondContact O-N 3.39Å; I127-I131 HydrophobicContact CG2-CD1 3.74Å; I127-I131 HydrophobicContact CG2-CG1 4.23Å; I127-I131 VanDerWaalsContact O-CG1 3.31Å; I127-I131 WeakPolarHBondContact O-CG1 3.31Å; I127-I131 PolarHBondContact O-N 3.23Å; I127-A156 HydrophobicContact CB-CB 3.93Å; I127-A156 HydrophobicContact CG2-CB 3.68Å; I127-C221 HydrophobicContact CD1-CB 4.24Å; I127-V222 HydrophobicContact CD1-CG2 3.74Å |
| 128 | N | 93.2 | Very high | 90.2 | Very high | 9 Ų | 9 | 69 Ų | 69 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.8 | -37.2 | -179.5 | -84 | -4.3 | 0 | 0 | 0 | 113.9 | Y124 F125 F126 N130 I131 R132 A156 L164 | Y124-N128 WeakPolarHBondContact CE2-ND2 3.27Å; Y124-N128 WeakPolarHBondContact O-CB 3.25Å; Y124-N128 PolarHBondContact O-N 3.19Å; Y124-N128 PolarHBondContact OH-ND2 3Å; Y124-N128 VanDerWaalsContact OH-ND2 3.09Å; F125-N128 PolarHBondContact O-N 3.34Å; F126-N128 VanDerWaalsContact C-N 3.34Å; F126-N128 PolarHBondContact O-N 3.45Å; N128-N130 VanDerWaalsContact C-N 3.26Å; N128-N130 PolarHBondContact O-N 3.1Å; N128-I131 PolarHBondContact O-N 2.71Å; N128-R132 WeakPolarHBondContact O-CG 3.37Å; N128-R132 PolarHBondContact O-N 2.81Å; N128-A156 WeakPolarHBondContact OD1-CB 3.27Å; N128-L164 HydrophobicContact CB-CD1 3.65Å; N128-L164 WeakPolarHBondContact ND2-CD1 3.38Å |
| 129 | N | 89.5 | Confident | 89.6 | Confident | 37 Ų | 37 | 65 Ų | 65 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.3 | -161.1 | 52 | 0 | 0 | 0 | 110.8 | L56 F125 F126 I127 R132 A133 | L56-N129 WeakPolarHBondContact CD2-ND2 3.48Å; L56-N129 WeakPolarHBondContact CG-ND2 3.23Å; F125-N129 WeakPolarHBondContact O-CB 3.36Å; F125-N129 PolarHBondContact O-N 2.98Å; F126-N129 PolarHBondContact O-N 3.46Å; I127-N129 PolarHBondContact O-N 2.89Å; N129-R132 WeakPolarHBondContact O-CB 3.46Å; N129-R132 PolarHBondContact O-N 2.7Å; N129-A133 PolarHBondContact O-N 3.39Å |
| 130 | N | 87.7 | Confident | 89.4 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.3 | -38.2 | 174.9 | -79.1 | -29 | 0 | 0 | 0 | 112.6 | F126 I127 N128 R132 A133 Y134 L140 I144 | F126-N130 WeakPolarHBondContact CD1-ND2 3.31Å; F126-N130 WeakPolarHBondContact CE1-ND2 3.31Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.38Å; F126-N130 WeakPolarHBondContact CZ-ND2 3.37Å; F126-N130 VanDerWaalsContact O-CB 3.28Å; F126-N130 WeakPolarHBondContact O-CB 3.39Å; F126-N130 VanDerWaalsContact O-CG 3.26Å; F126-N130 PolarHBondContact O-N 3.02Å; F126-N130 PolarHBondContact O-ND2 3.44Å; I127-N130 CarbonylContact O-C 3.42Å; I127-N130 WeakPolarHBondContact O-CB 3.37Å; I127-N130 PolarHBondContact O-N 3.39Å; N128-N130 VanDerWaalsContact C-N 3.26Å; N128-N130 PolarHBondContact O-N 3.1Å; N130-R132 VanDerWaalsContact C-N 3.33Å; N130-R132 PolarHBondContact O-N 2.87Å; N130-A133 CarbonylContact O-C 3.47Å; N130-A133 PolarHBondContact O-N 3.03Å; N130-Y134 WeakPolarHBondContact O-CA 3.36Å; N130-Y134 PolarHBondContact O-N 3.01Å; N130-L140 HydrophobicContact CB-CD1 3.59Å; N130-L140 HydrophobicContact CB-CD2 4.41Å; N130-L140 HydrophobicContact CB-CG 4.46Å; N130-L140 WeakPolarHBondContact OD1-CD1 3.26Å; N130-I144 VanDerWaalsContact C-CD1 3.5Å; N130-I144 HydrophobicContact CB-CD1 3.9Å; N130-I144 HydrophobicContact CB-CG1 4.46Å; N130-I144 WeakPolarHBondContact O-CD1 3.37Å |
| 131 | I | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 173.4 | -74.1 | 168.2 | 0 | 0 | 0 | 110.7 | I127 N128 A133 Y134 I144 D161 W162 L164 N165 | I127-I131 HydrophobicContact CG2-CD1 3.74Å; I127-I131 HydrophobicContact CG2-CG1 4.23Å; I127-I131 VanDerWaalsContact O-CG1 3.31Å; I127-I131 WeakPolarHBondContact O-CG1 3.31Å; I127-I131 PolarHBondContact O-N 3.23Å; N128-I131 PolarHBondContact O-N 2.71Å; I131-A133 VanDerWaalsContact C-N 3.3Å; I131-A133 PolarHBondContact O-N 3.28Å; I131-Y134 VanDerWaalsContact O-CB 3.23Å; I131-Y134 WeakPolarHBondContact O-CB 3.11Å; I131-Y134 PolarHBondContact O-N 3.41Å; I131-I144 HydrophobicContact CG1-CD1 4.4Å; I131-D161 HydrophobicContact CD1-CB 4.14Å; I131-W162 HydrophobicContact CG1-CH2 4.29Å; I131-W162 HydrophobicContact CG1-CZ2 4.25Å; I131-W162 HydrophobicContact CG2-CD2 4.18Å; I131-W162 HydrophobicContact CG2-CE3 3.82Å; I131-W162 HydrophobicContact CG2-CH2 4.42Å; I131-W162 HydrophobicContact CG2-CZ3 3.97Å; I131-L164 HydrophobicContact CG2-CB 4.43Å; I131-N165 HydrophobicContact CG2-CB 4.19Å; I131-N165 WeakPolarHBondContact O-CB 3.4Å; I131-N165 PolarHBondContact O-ND2 2.9Å |
| 132 | R | 92.9 | Very high | 88.9 | Confident | 136 Ų | 136 | 60.8 Ų | 60.8 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 176.1 | -71.5 | 173 | -178.4 | -176.5 | 0.3 | 111.7 | N128 N129 N130 Y134 L164 N165 | N128-R132 WeakPolarHBondContact O-CG 3.37Å; N128-R132 PolarHBondContact O-N 2.81Å; N129-R132 WeakPolarHBondContact O-CB 3.46Å; N129-R132 PolarHBondContact O-N 2.7Å; N130-R132 VanDerWaalsContact C-N 3.33Å; N130-R132 PolarHBondContact O-N 2.87Å; R132-Y134 VanDerWaalsContact C-N 3.35Å; R132-L164 HydrophobicContact CG-CB 3.92Å; R132-N165 PolarHBondContact O-ND2 3.04Å |
| 133 | A | 89.9 | Confident | 88.8 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 13.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | N129 N130 I131 R135 D136 L140 | N129-A133 PolarHBondContact O-N 3.39Å; N130-A133 CarbonylContact O-C 3.47Å; N130-A133 PolarHBondContact O-N 3.03Å; I131-A133 VanDerWaalsContact C-N 3.3Å; I131-A133 PolarHBondContact O-N 3.28Å; A133-R135 PolarHBondContact O-N 3.17Å; A133-D136 WeakPolarHBondContact CA-OD2 3.24Å; A133-D136 HydrophobicContact CB-CB 4.3Å; A133-D136 WeakPolarHBondContact O-CB 3.37Å; A133-D136 PolarHBondContact O-N 3.35Å; A133-L140 HydrophobicContact CB-CD2 3.67Å; A133-L140 WeakPolarHBondContact O-CD2 3.44Å |
| 134 | Y | 90.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.5 | -170.3 | 170.9 | -100.7 | 0 | 0 | 0 | 115.3 | N130 I131 R132 Q141 I144 D145 W162 F168 P183 | N130-Y134 WeakPolarHBondContact O-CA 3.36Å; N130-Y134 PolarHBondContact O-N 3.01Å; I131-Y134 VanDerWaalsContact O-CB 3.23Å; I131-Y134 WeakPolarHBondContact O-CB 3.11Å; I131-Y134 PolarHBondContact O-N 3.41Å; R132-Y134 VanDerWaalsContact C-N 3.35Å; Y134-Q141 HydrophobicContact CD2-CB 4.47Å; Y134-Q141 HydrophobicContact CD2-CG 4.15Å; Y134-Q141 HydrophobicContact CE1-CG 4.18Å; Y134-Q141 HydrophobicContact CE2-CB 4.29Å; Y134-Q141 HydrophobicContact CE2-CG 3.56Å; Y134-Q141 WeakPolarHBondContact O-CB 3.42Å; Y134-Q141 PolarHBondContact OH-NE2 3.41Å; Y134-Q141 VanDerWaalsContact OH-NE2 3.12Å; Y134-I144 HydrophobicContact CD2-CB 4.02Å; Y134-I144 HydrophobicContact CD2-CD1 3.72Å; Y134-I144 HydrophobicContact CD2-CG1 4.46Å; Y134-I144 HydrophobicContact CD2-CG2 4.06Å; Y134-I144 HydrophobicContact CE2-CB 4.12Å; Y134-I144 HydrophobicContact CE2-CG2 4.03Å; Y134-I144 HydrophobicContact CG-CD1 4.5Å; Y134-D145 PolarHBondContact OH-OD1 2.85Å; Y134-D145 PolarHBondContact OH-OD2 3.44Å; Y134-D145 VanDerWaalsContact OH-OD2 3.08Å; Y134-W162 AromaticContact CD1-CH2 3.95Å; Y134-W162 HydrophobicContact CD1-CH2 3.95Å; Y134-W162 AromaticContact CD1-CZ3 3.74Å; Y134-W162 HydrophobicContact CD1-CZ3 3.74Å; Y134-W162 AromaticContact CD2-CH2 3.54Å; Y134-W162 HydrophobicContact CD2-CH2 3.54Å; Y134-W162 HydrophobicContact CD2-CZ3 4.12Å; Y134-W162 HydrophobicContact CE1-CH2 4.26Å; Y134-W162 HydrophobicContact CE1-CZ3 4.28Å; Y134-W162 AromaticContact CE2-CH2 3.84Å; Y134-W162 HydrophobicContact CE2-CH2 3.84Å; Y134-W162 AromaticContact CG-CH2 3.58Å; Y134-W162 HydrophobicContact CG-CH2 3.58Å; Y134-W162 AromaticContact CG-CZ3 3.65Å; Y134-W162 HydrophobicContact CG-CZ3 3.65Å; Y134-F168 AromaticContact CD1-CE2 3.85Å; Y134-F168 HydrophobicContact CD1-CE2 3.85Å; Y134-F168 AromaticContact CE1-CE2 3.93Å; Y134-F168 HydrophobicContact CE1-CE2 3.93Å; Y134-F168 HydrophobicContact CE1-CZ 4.14Å; Y134-P183 HydrophobicContact CE1-CB 4.35Å; Y134-P183 HydrophobicContact CE1-CG 3.88Å; Y134-P183 HydrophobicContact CE2-CG 4.2Å; Y134-P183 WeakPolarHBondContact OH-CB 3.39Å |
| 135 | R | 90.4 | Very high | 88.9 | Confident | 89 Ų | 89 | 54.4 Ų | 54.4 | 34% | 0.336 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -1.6 | 177.5 | -65.7 | -60.9 | -162.3 | 178.8 | 2.7 | 113.6 | A133 Y167 E178 | A133-R135 PolarHBondContact O-N 3.17Å; R135-Y167 HydrophobicContact CB-CD2 3.97Å; R135-Y167 HydrophobicContact CB-CE2 3.56Å; R135-Y167 HydrophobicContact CG-CD2 3.48Å; R135-Y167 VanDerWaalsContact CG-CD2 3.48Å; R135-Y167 HydrophobicContact CG-CE2 3.59Å; R135-Y167 HydrophobicContact CG-CG 4.29Å; R135-E178 IonicContact CZ-OE2 2.87Å; R135-E178 IonicContact NE-OE2 2.69Å; R135-E178 IonicContact NH2-OE1 3.7Å; R135-E178 PolarHBondContact NH2-OE1 3.48Å; R135-E178 IonicContact NH2-OE2 2.8Å; R135-E178 PolarHBondContact NH2-OE2 2.95Å |
| 136 | D | 87.3 | Confident | 89 | Confident | 120 Ų | 120 | 54.7 Ų | 54.7 | 64% | 0.642 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -30.3 | -173.9 | -60.2 | -16.1 | 0 | 0 | 0 | 111.3 | A133 | A133-D136 WeakPolarHBondContact CA-OD2 3.24Å; A133-D136 HydrophobicContact CB-CB 4.3Å; A133-D136 WeakPolarHBondContact O-CB 3.37Å; A133-D136 PolarHBondContact O-N 3.35Å |
| 137 | D | 81.8 | Confident | 89.2 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | trans | -136.7 | 131.1 | -178.3 | -174.3 | -60.6 | 0 | 0 | 0 | 110.9 | D139 L140 Q141 | D137-D139 WeakPolarHBondContact OD1-CA 3.28Å; D137-D139 VanDerWaalsContact OD1-CB 3.28Å; D137-D139 WeakPolarHBondContact OD1-CB 3.35Å; D137-D139 PolarHBondContact OD1-N 3.49Å; D137-L140 HydrophobicContact CB-CB 3.9Å; D137-L140 PolarHBondContact O-N 3.03Å; D137-L140 PolarHBondContact OD1-N 3.37Å; D137-L140 VanDerWaalsContact OD1-N 3.11Å; D137-Q141 WeakPolarHBondContact O-CB 3.48Å; D137-Q141 PolarHBondContact O-N 3.47Å | ||
| 138 | I | 84.6 | Confident | 89.4 | Confident | 118 Ų | 118 | 52.2 Ų | 52.2 | 61% | 0.605 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -71.9 | -31.7 | -176.7 | -166.6 | 161.4 | 0 | 0 | 0 | 113.1 | Q141 N142 | I138-Q141 PolarHBondContact O-N 3.36Å; I138-N142 WeakPolarHBondContact O-CB 3.39Å; I138-N142 PolarHBondContact O-N 2.91Å; I138-N142 PolarHBondContact O-ND2 2.96Å |
| 139 | D | 81.8 | Confident | 89.5 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 41% | 0.406 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 175.6 | -68.6 | -22 | 0 | 0 | 0 | 109.8 | K44 D137 N142 L143 | K44-D139 WeakPolarHBondContact CE-OD2 3.31Å; D137-D139 WeakPolarHBondContact OD1-CA 3.28Å; D137-D139 VanDerWaalsContact OD1-CB 3.28Å; D137-D139 WeakPolarHBondContact OD1-CB 3.35Å; D137-D139 PolarHBondContact OD1-N 3.49Å; D139-N142 PolarHBondContact O-N 3.13Å; D139-L143 VanDerWaalsContact O-CB 3.3Å; D139-L143 WeakPolarHBondContact O-CB 3.45Å; D139-L143 PolarHBondContact O-N 2.83Å |
| 140 | L | 84 | Confident | 89.7 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 174.9 | 178 | 55.4 | 0 | 0 | 0 | 111.6 | N130 A133 D137 L143 I144 | N130-L140 HydrophobicContact CB-CD1 3.59Å; N130-L140 HydrophobicContact CB-CD2 4.41Å; N130-L140 HydrophobicContact CB-CG 4.46Å; N130-L140 WeakPolarHBondContact OD1-CD1 3.26Å; A133-L140 HydrophobicContact CB-CD2 3.67Å; A133-L140 WeakPolarHBondContact O-CD2 3.44Å; D137-L140 HydrophobicContact CB-CB 3.9Å; D137-L140 PolarHBondContact O-N 3.03Å; D137-L140 PolarHBondContact OD1-N 3.37Å; D137-L140 VanDerWaalsContact OD1-N 3.11Å; L140-L143 PolarHBondContact O-N 3.44Å; L140-I144 HydrophobicContact CD1-CD1 4.17Å; L140-I144 HydrophobicContact CD1-CG1 4.41Å; L140-I144 HydrophobicContact CG-CD1 4.35Å; L140-I144 PolarHBondContact O-N 2.82Å |
| 141 | Q | 89.1 | Confident | 90 | Very high | 37 Ų | 37 | 62 Ų | 62 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.1 | -54.1 | 174.3 | -174.9 | 172.2 | 3.3 | 0 | 0 | 110.8 | Y134 D137 I138 L143 I144 D145 | Y134-Q141 HydrophobicContact CD2-CB 4.47Å; Y134-Q141 HydrophobicContact CD2-CG 4.15Å; Y134-Q141 HydrophobicContact CE1-CG 4.18Å; Y134-Q141 HydrophobicContact CE2-CB 4.29Å; Y134-Q141 HydrophobicContact CE2-CG 3.56Å; Y134-Q141 WeakPolarHBondContact O-CB 3.42Å; Y134-Q141 PolarHBondContact OH-NE2 3.41Å; Y134-Q141 VanDerWaalsContact OH-NE2 3.12Å; D137-Q141 WeakPolarHBondContact O-CB 3.48Å; D137-Q141 PolarHBondContact O-N 3.47Å; I138-Q141 PolarHBondContact O-N 3.36Å; Q141-L143 VanDerWaalsContact C-N 3.28Å; Q141-L143 PolarHBondContact O-N 3.39Å; Q141-I144 PolarHBondContact O-N 2.92Å; Q141-D145 WeakPolarHBondContact O-CB 3.29Å; Q141-D145 PolarHBondContact O-N 3.18Å |
| 142 | N | 88.4 | Confident | 90.2 | Very high | 88 Ų | 88 | 67.2 Ų | 67.2 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -35.9 | -179.9 | -73 | -33.7 | 0 | 0 | 0 | 112.4 | I138 D139 F146 | I138-N142 WeakPolarHBondContact O-CB 3.39Å; I138-N142 PolarHBondContact O-N 2.91Å; I138-N142 PolarHBondContact O-ND2 2.96Å; D139-N142 PolarHBondContact O-N 3.13Å; N142-F146 WeakPolarHBondContact O-CB 3.44Å; N142-F146 PolarHBondContact O-N 2.94Å |
| 143 | L | 87.9 | Confident | 90.3 | Very high | 72 Ų | 72 | 60.8 Ų | 60.8 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.5 | -46.6 | 177.4 | 177.7 | 64.2 | 0 | 0 | 0 | 111.7 | D139 L140 Q141 T147 | D139-L143 VanDerWaalsContact O-CB 3.3Å; D139-L143 WeakPolarHBondContact O-CB 3.45Å; D139-L143 PolarHBondContact O-N 2.83Å; L140-L143 PolarHBondContact O-N 3.44Å; Q141-L143 VanDerWaalsContact C-N 3.28Å; Q141-L143 PolarHBondContact O-N 3.39Å; L143-T147 VanDerWaalsContact O-CB 3.31Å; L143-T147 WeakPolarHBondContact O-CB 3.05Å; L143-T147 PolarHBondContact O-N 3.44Å; L143-T147 PolarHBondContact O-OG1 2.75Å |
| 144 | I | 91.5 | Very high | 90.7 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 175.5 | -71.3 | 169.2 | 0 | 0 | 0 | 109.7 | N130 I131 Y134 L140 Q141 F146 T147 Q148 W162 | N130-I144 VanDerWaalsContact C-CD1 3.5Å; N130-I144 HydrophobicContact CB-CD1 3.9Å; N130-I144 HydrophobicContact CB-CG1 4.46Å; N130-I144 WeakPolarHBondContact O-CD1 3.37Å; I131-I144 HydrophobicContact CG1-CD1 4.4Å; Y134-I144 HydrophobicContact CD2-CB 4.02Å; Y134-I144 HydrophobicContact CD2-CD1 3.72Å; Y134-I144 HydrophobicContact CD2-CG1 4.46Å; Y134-I144 HydrophobicContact CD2-CG2 4.06Å; Y134-I144 HydrophobicContact CE2-CB 4.12Å; Y134-I144 HydrophobicContact CE2-CG2 4.03Å; Y134-I144 HydrophobicContact CG-CD1 4.5Å; L140-I144 HydrophobicContact CD1-CD1 4.17Å; L140-I144 HydrophobicContact CD1-CG1 4.41Å; L140-I144 HydrophobicContact CG-CD1 4.35Å; L140-I144 PolarHBondContact O-N 2.82Å; Q141-I144 PolarHBondContact O-N 2.92Å; I144-F146 PolarHBondContact O-N 3.18Å; I144-T147 PolarHBondContact O-N 2.95Å; I144-T147 VanDerWaalsContact O-N 3.16Å; I144-Q148 HydrophobicContact CG2-CG 4.19Å; I144-Q148 WeakPolarHBondContact O-CG 3.44Å; I144-Q148 PolarHBondContact O-N 3.23Å; I144-W162 HydrophobicContact CG2-CH2 4.12Å; I144-W162 HydrophobicContact CG2-CZ2 3.98Å |
| 145 | D | 94.1 | Very high | 91 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -47.9 | -178.6 | -75.7 | -23.8 | 0 | 0 | 0 | 111.6 | Y134 Q141 T147 Q148 E149 F184 S185 | Y134-D145 PolarHBondContact OH-OD1 2.85Å; Y134-D145 PolarHBondContact OH-OD2 3.44Å; Y134-D145 VanDerWaalsContact OH-OD2 3.08Å; Q141-D145 WeakPolarHBondContact O-CB 3.29Å; Q141-D145 PolarHBondContact O-N 3.18Å; D145-T147 VanDerWaalsContact C-N 3.32Å; D145-T147 PolarHBondContact O-N 3.11Å; D145-Q148 PolarHBondContact O-N 2.97Å; D145-E149 WeakPolarHBondContact O-CB 3.35Å; D145-E149 WeakPolarHBondContact O-CG 3.27Å; D145-E149 PolarHBondContact O-N 3.5Å; D145-F184 HydrophobicContact CB-CZ 4.38Å; D145-F184 WeakPolarHBondContact OD2-CE1 3.3Å; D145-S185 VanDerWaalsContact CA-CB 3.42Å; D145-S185 WeakPolarHBondContact CA-OG 3.39Å; D145-S185 WeakPolarHBondContact O-CB 3.34Å; D145-S185 WeakPolarHBondContact OD1-CB 3.27Å; D145-S185 PolarHBondContact OD1-OG 3.32Å |
| 146 | F | 92.7 | Very high | 91.3 | Very high | 128 Ų | 128 | 56 Ų | 56 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.6 | -44.4 | 174.2 | 177.6 | -95.2 | 0 | 0 | 0 | 112 | N142 I144 Y150 | N142-F146 WeakPolarHBondContact O-CB 3.44Å; N142-F146 PolarHBondContact O-N 2.94Å; I144-F146 PolarHBondContact O-N 3.18Å; F146-Y150 HydrophobicContact CE1-CG 4.33Å; F146-Y150 HydrophobicContact CZ-CD2 4.03Å; F146-Y150 HydrophobicContact CZ-CG 4.2Å; F146-Y150 WeakPolarHBondContact O-CB 3.19Å; F146-Y150 PolarHBondContact O-N 2.88Å |
| 147 | T | 92.3 | Very high | 91.8 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | -179.3 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | L143 I144 D145 W151 | L143-T147 VanDerWaalsContact O-CB 3.31Å; L143-T147 WeakPolarHBondContact O-CB 3.05Å; L143-T147 PolarHBondContact O-N 3.44Å; L143-T147 PolarHBondContact O-OG1 2.75Å; I144-T147 PolarHBondContact O-N 2.95Å; I144-T147 VanDerWaalsContact O-N 3.16Å; D145-T147 VanDerWaalsContact C-N 3.32Å; D145-T147 PolarHBondContact O-N 3.11Å; T147-W151 VanDerWaalsContact O-CB 3.29Å; T147-W151 WeakPolarHBondContact O-CB 3.15Å; T147-W151 VanDerWaalsContact O-CD1 3.32Å; T147-W151 PolarHBondContact O-N 3.18Å |
| 148 | Q | 96.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | -179 | -71.2 | -171.9 | 154.8 | 0 | 0 | 112.1 | I144 D145 Q152 C153 S185 C186 | I144-Q148 HydrophobicContact CG2-CG 4.19Å; I144-Q148 WeakPolarHBondContact O-CG 3.44Å; I144-Q148 PolarHBondContact O-N 3.23Å; D145-Q148 PolarHBondContact O-N 2.97Å; Q148-Q152 VanDerWaalsContact O-CA 3.25Å; Q148-Q152 WeakPolarHBondContact O-CA 3.45Å; Q148-Q152 PolarHBondContact O-N 3.24Å; Q148-C153 WeakPolarHBondContact CA-O 3.37Å; Q148-C153 VanDerWaalsContact CB-O 3.23Å; Q148-C153 WeakPolarHBondContact CB-O 3.49Å; Q148-C153 WeakPolarHBondContact CG-O 3.39Å; Q148-C153 PolarHBondContact O-N 2.98Å; Q148-S185 PolarHBondContact NE2-OG 2.94Å; Q148-C186 PolarHBondContact NE2-SG 3.22Å |
| 149 | E | 94.4 | Very high | 93 | Very high | 63 Ų | 63 | 46 Ų | 46 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 176.9 | -74.7 | -175.2 | -141.9 | 0 | 0 | 112.6 | D145 F184 | D145-E149 WeakPolarHBondContact O-CB 3.35Å; D145-E149 WeakPolarHBondContact O-CG 3.27Å; D145-E149 PolarHBondContact O-N 3.5Å; E149-F184 VanDerWaalsContact OE1-CE2 3.25Å; E149-F184 WeakPolarHBondContact OE1-CE2 3.42Å |
| 150 | Y | 94.1 | Very high | 93.7 | Very high | 149 Ų | 149 | 47.2 Ų | 47.2 | 58% | 0.584 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -68.3 | -44.5 | -176 | -175.6 | -94.2 | 0 | 0 | 0 | 111.5 | F146 | F146-Y150 HydrophobicContact CE1-CG 4.33Å; F146-Y150 HydrophobicContact CZ-CD2 4.03Å; F146-Y150 HydrophobicContact CZ-CG 4.2Å; F146-Y150 WeakPolarHBondContact O-CB 3.19Å; F146-Y150 PolarHBondContact O-N 2.88Å |
| 151 | W | 94.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 19% | 0.193 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -87.9 | -6.3 | -179.1 | -68.5 | 106.4 | 0 | 0 | 0 | 113.8 | T147 C153 Q224 F225 W228 | T147-W151 VanDerWaalsContact O-CB 3.29Å; T147-W151 WeakPolarHBondContact O-CB 3.15Å; T147-W151 VanDerWaalsContact O-CD1 3.32Å; T147-W151 PolarHBondContact O-N 3.18Å; W151-C153 VanDerWaalsContact CB-SG 3.58Å; W151-Q224 HydrophobicContact CB-CG 4.35Å; W151-Q224 WeakPolarHBondContact O-CG 3.49Å; W151-Q224 PolarHBondContact O-NE2 2.83Å; W151-F225 HydrophobicContact CZ2-CD2 4.2Å; W151-W228 HydrophobicContact CE3-CB 4.3Å; W151-W228 HydrophobicContact CE3-CG 4.38Å; W151-W228 HydrophobicContact CH2-CB 4.09Å; W151-W228 AromaticContact CH2-CD1 3.79Å; W151-W228 AromaticContact CH2-CD2 3.39Å; W151-W228 HydrophobicContact CH2-CD2 3.39Å; W151-W228 AromaticContact CH2-CE2 3.65Å; W151-W228 AromaticContact CH2-CE3 3.84Å; W151-W228 HydrophobicContact CH2-CE3 3.84Å; W151-W228 AromaticContact CH2-CG 3.5Å; W151-W228 HydrophobicContact CH2-CG 3.5Å; W151-W228 VanDerWaalsContact CH2-CG 3.5Å; W151-W228 HydrophobicContact CH2-CZ2 4.3Å; W151-W228 HydrophobicContact CH2-CZ3 4.47Å; W151-W228 AromaticContact CH2-NE1 3.83Å; W151-W228 HydrophobicContact CZ3-CB 3.49Å; W151-W228 VanDerWaalsContact CZ3-CB 3.49Å; W151-W228 AromaticContact CZ3-CD1 3.38Å; W151-W228 AromaticContact CZ3-CD2 3.69Å; W151-W228 HydrophobicContact CZ3-CD2 3.69Å; W151-W228 HydrophobicContact CZ3-CE3 4.43Å; W151-W228 AromaticContact CZ3-CG 3.21Å; W151-W228 HydrophobicContact CZ3-CG 3.21Å; W151-W228 AromaticContact CZ3-NE1 3.87Å |
| 152 | Q | 95.1 | Very high | 94.7 | Very high | 111 Ų | 111 | 45.5 Ų | 45.5 | 52% | 0.519 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 51.1 | -177.7 | -57.2 | -176.2 | -43.1 | 0 | 0 | 111.6 | Q148 Y217 | Q148-Q152 VanDerWaalsContact O-CA 3.25Å; Q148-Q152 WeakPolarHBondContact O-CA 3.45Å; Q148-Q152 PolarHBondContact O-N 3.24Å; Q152-Y217 VanDerWaalsContact C-CG 3.41Å; Q152-Y217 HydrophobicContact CB-CD1 3.9Å; Q152-Y217 HydrophobicContact CB-CD2 4.44Å; Q152-Y217 HydrophobicContact CB-CE1 3.55Å; Q152-Y217 HydrophobicContact CB-CE2 4.14Å; Q152-Y217 HydrophobicContact CB-CG 4.35Å; Q152-Y217 HydrophobicContact CG-CE1 4.05Å; Q152-Y217 HydrophobicContact CG-CE2 4.44Å; Q152-Y217 WeakPolarHBondContact O-CD1 3.28Å |
| 153 | C | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -133.1 | 165.4 | -175.9 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | Q148 W151 K219 C221 Q224 | Q148-C153 WeakPolarHBondContact CA-O 3.37Å; Q148-C153 VanDerWaalsContact CB-O 3.23Å; Q148-C153 WeakPolarHBondContact CB-O 3.49Å; Q148-C153 WeakPolarHBondContact CG-O 3.39Å; Q148-C153 PolarHBondContact O-N 2.98Å; W151-C153 VanDerWaalsContact CB-SG 3.58Å; C153-K219 CarbonylContact C-O 3.27Å; C153-K219 WeakPolarHBondContact CA-O 3.39Å; C153-K219 VanDerWaalsContact CB-O 3.28Å; C153-K219 WeakPolarHBondContact CB-O 3.37Å; C153-C221 HydrophobicContact CB-CB 3.9Å; C153-C221 WeakPolarHBondContact CB-SG 3.29Å; C153-C221 WeakPolarHBondContact SG-CA 3.31Å; C153-C221 WeakPolarHBondContact SG-CB 3.28Å; C153-C221 CovalentContact SG-SG 2.04Å; C153-C221 PolarHBondContact SG-SG 2.86Å; C153-Q224 HydrophobicContact CB-CB 4.19Å; C153-Q224 HydrophobicContact CB-CG 4.31Å | ||
| 154 | C | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -140.6 | 125.2 | 175.4 | -167.2 | 0 | 0 | 0 | 0 | 110.5 | G158 A159 C186 Y217 K219 | C154-G158 CarbonylContact O-C 3.54Å; C154-G158 VanDerWaalsContact O-CA 3.28Å; C154-G158 WeakPolarHBondContact O-CA 3.45Å; C154-A159 HydrophobicContact CB-CB 4.47Å; C154-A159 PolarHBondContact O-N 3.48Å; C154-C186 WeakPolarHBondContact CA-SG 3.45Å; C154-C186 HydrophobicContact CB-CB 3.69Å; C154-C186 WeakPolarHBondContact CB-SG 3.37Å; C154-C186 WeakPolarHBondContact SG-CB 3.36Å; C154-C186 CovalentContact SG-SG 2.04Å; C154-C186 PolarHBondContact SG-SG 3.44Å; C154-Y217 WeakPolarHBondContact CB-O 3.49Å; C154-K219 PolarHBondContact N-O 3.36Å | ||
| 155 | G | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 68.7 | -174.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C221 | G155-C221 WeakPolarHBondContact O-CB 3.3Å; G155-C221 PolarHBondContact O-N 3.35Å; G155-C221 PolarHBondContact O-SG 3.36Å |
| 156 | A | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -76.4 | -56.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y124 I127 N128 D161 G220 C221 V222 P223 | Y124-A156 HydrophobicContact CD2-CB 3.64Å; Y124-A156 HydrophobicContact CE2-CB 4.1Å; I127-A156 HydrophobicContact CB-CB 3.93Å; I127-A156 HydrophobicContact CG2-CB 3.68Å; N128-A156 WeakPolarHBondContact OD1-CB 3.27Å; A156-D161 WeakPolarHBondContact CA-OD2 3.42Å; A156-D161 PolarHBondContact N-OD2 2.85Å; A156-G220 CarbonylContact O-C 3.57Å; A156-G220 VanDerWaalsContact O-C 3.27Å; A156-G220 VanDerWaalsContact O-CA 3.26Å; A156-G220 WeakPolarHBondContact O-CA 3.21Å; A156-C221 PolarHBondContact O-N 2.96Å; A156-V222 HydrophobicContact CB-CG2 4.21Å; A156-V222 WeakPolarHBondContact O-CB 2.99Å; A156-V222 WeakPolarHBondContact O-CG2 3.4Å; A156-V222 PolarHBondContact O-N 2.92Å; A156-P223 WeakPolarHBondContact O-CD 3.36Å |
| 157 | F | 97 | Very high | 95.8 | Very high | 85 Ų | 85 | 46.3 Ų | 46.3 | 37% | 0.373 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -106.9 | -20.1 | 172.1 | -77.9 | -62.3 | 0 | 0 | 0 | 113.3 | K120 Y124 D161 G220 V222 P223 | K120-F157 HydrophobicContact CG-CZ 4.44Å; Y124-F157 HydrophobicContact CD1-CE2 4.41Å; Y124-F157 AromaticContact CD2-CD2 3.15Å; Y124-F157 HydrophobicContact CD2-CD2 3.15Å; Y124-F157 AromaticContact CD2-CE2 3.15Å; Y124-F157 HydrophobicContact CD2-CE2 3.15Å; Y124-F157 HydrophobicContact CD2-CG 4.3Å; Y124-F157 HydrophobicContact CD2-CZ 4.32Å; Y124-F157 AromaticContact CE2-CD2 3.33Å; Y124-F157 HydrophobicContact CE2-CD2 3.33Å; Y124-F157 AromaticContact CE2-CE2 3.72Å; Y124-F157 HydrophobicContact CE2-CE2 3.72Å; Y124-F157 HydrophobicContact CE2-CG 4.49Å; Y124-F157 HydrophobicContact CG-CD2 4.03Å; Y124-F157 AromaticContact CG-CE2 3.54Å; Y124-F157 HydrophobicContact CG-CE2 3.54Å; F157-D161 PolarHBondContact N-OD2 3.13Å; F157-G220 WeakPolarHBondContact O-CA 3.25Å; F157-G220 PolarHBondContact O-N 2.97Å; F157-G220 VanDerWaalsContact O-N 3.07Å; F157-V222 HydrophobicContact CD1-CB 4.34Å; F157-V222 HydrophobicContact CE1-CB 3.98Å; F157-V222 HydrophobicContact CE1-CG1 3.78Å; F157-V222 HydrophobicContact CZ-CB 4.31Å; F157-V222 HydrophobicContact CZ-CG1 3.91Å; F157-P223 HydrophobicContact CD1-CG 4.15Å |
| 158 | G | 96.3 | Very high | 96 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -179.5 | -178.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C154 D160 D161 | C154-G158 CarbonylContact O-C 3.54Å; C154-G158 VanDerWaalsContact O-CA 3.28Å; C154-G158 WeakPolarHBondContact O-CA 3.45Å; G158-D160 PolarHBondContact O-N 3.33Å; G158-D160 VanDerWaalsContact O-N 3.09Å; G158-D161 PolarHBondContact N-OD2 3.33Å; G158-D161 VanDerWaalsContact N-OD2 3.08Å; G158-D161 PolarHBondContact O-N 3.32Å; G158-D161 VanDerWaalsContact O-N 3.12Å |
| 159 | A | 96.2 | Very high | 96 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -58.7 | -26 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | C154 D161 W162 V182 R205 I216 | C154-A159 HydrophobicContact CB-CB 4.47Å; C154-A159 PolarHBondContact O-N 3.48Å; A159-D161 VanDerWaalsContact C-N 3.28Å; A159-D161 PolarHBondContact O-N 3.46Å; A159-W162 WeakPolarHBondContact O-CB 3.5Å; A159-W162 PolarHBondContact O-N 2.85Å; A159-V182 HydrophobicContact CB-CG1 4.1Å; A159-R205 HydrophobicContact CB-CG 4.34Å; A159-R205 VanDerWaalsContact O-CD 3.27Å; A159-R205 WeakPolarHBondContact O-CD 3.28Å; A159-I216 HydrophobicContact CB-CD1 4.06Å |
| 160 | D | 96 | Very high | 96.1 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -72 | -15.5 | 180 | -75 | -35.1 | 0 | 0 | 0 | 114.9 | G158 W162 N163 R205 | G158-D160 PolarHBondContact O-N 3.33Å; G158-D160 VanDerWaalsContact O-N 3.09Å; D160-W162 PolarHBondContact O-N 3.34Å; D160-W162 VanDerWaalsContact O-N 3.15Å; D160-N163 VanDerWaalsContact O-CB 3.27Å; D160-N163 WeakPolarHBondContact O-CB 3.25Å; D160-N163 PolarHBondContact O-N 3.15Å; D160-N163 PolarHBondContact O-ND2 2.91Å; D160-N163 VanDerWaalsContact O-ND2 3.11Å; D160-R205 IonicContact OD1-NH1 2.71Å |
| 161 | D | 97 | Very high | 96.1 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -61.9 | -21.6 | 173.2 | -67.6 | -47.4 | 0 | 0 | 0 | 111.7 | I131 A156 F157 G158 A159 N163 L164 | I131-D161 HydrophobicContact CD1-CB 4.14Å; A156-D161 WeakPolarHBondContact CA-OD2 3.42Å; A156-D161 PolarHBondContact N-OD2 2.85Å; F157-D161 PolarHBondContact N-OD2 3.13Å; G158-D161 PolarHBondContact N-OD2 3.33Å; G158-D161 VanDerWaalsContact N-OD2 3.08Å; G158-D161 PolarHBondContact O-N 3.32Å; G158-D161 VanDerWaalsContact O-N 3.12Å; A159-D161 VanDerWaalsContact C-N 3.28Å; A159-D161 PolarHBondContact O-N 3.46Å; D161-N163 PolarHBondContact O-N 3.35Å; D161-N163 VanDerWaalsContact O-N 3.09Å; D161-L164 VanDerWaalsContact O-CB 3.29Å; D161-L164 WeakPolarHBondContact O-CB 3.46Å; D161-L164 VanDerWaalsContact O-CG 3.31Å; D161-L164 WeakPolarHBondContact O-CG 3.49Å; D161-L164 PolarHBondContact O-N 3.2Å |
| 162 | W | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -62.8 | -11.5 | 171.3 | -75 | 101.6 | 0 | 0 | 0 | 113.9 | I131 Y134 I144 A159 D160 L164 N165 F168 V182 P183 | I131-W162 HydrophobicContact CG1-CH2 4.29Å; I131-W162 HydrophobicContact CG1-CZ2 4.25Å; I131-W162 HydrophobicContact CG2-CD2 4.18Å; I131-W162 HydrophobicContact CG2-CE3 3.82Å; I131-W162 HydrophobicContact CG2-CH2 4.42Å; I131-W162 HydrophobicContact CG2-CZ3 3.97Å; Y134-W162 AromaticContact CD1-CH2 3.95Å; Y134-W162 HydrophobicContact CD1-CH2 3.95Å; Y134-W162 AromaticContact CD1-CZ3 3.74Å; Y134-W162 HydrophobicContact CD1-CZ3 3.74Å; Y134-W162 AromaticContact CD2-CH2 3.54Å; Y134-W162 HydrophobicContact CD2-CH2 3.54Å; Y134-W162 HydrophobicContact CD2-CZ3 4.12Å; Y134-W162 HydrophobicContact CE1-CH2 4.26Å; Y134-W162 HydrophobicContact CE1-CZ3 4.28Å; Y134-W162 AromaticContact CE2-CH2 3.84Å; Y134-W162 HydrophobicContact CE2-CH2 3.84Å; Y134-W162 AromaticContact CG-CH2 3.58Å; Y134-W162 HydrophobicContact CG-CH2 3.58Å; Y134-W162 AromaticContact CG-CZ3 3.65Å; Y134-W162 HydrophobicContact CG-CZ3 3.65Å; I144-W162 HydrophobicContact CG2-CH2 4.12Å; I144-W162 HydrophobicContact CG2-CZ2 3.98Å; A159-W162 WeakPolarHBondContact O-CB 3.5Å; A159-W162 PolarHBondContact O-N 2.85Å; D160-W162 PolarHBondContact O-N 3.34Å; D160-W162 VanDerWaalsContact O-N 3.15Å; W162-L164 PolarHBondContact O-N 2.94Å; W162-N165 HydrophobicContact CE3-CB 4.17Å; W162-N165 HydrophobicContact CZ3-CB 4.44Å; W162-N165 PolarHBondContact O-N 3.4Å; W162-F168 HydrophobicContact CB-CB 4.06Å; W162-F168 HydrophobicContact CD2-CD2 4.48Å; W162-F168 HydrophobicContact CE3-CB 4.33Å; W162-F168 AromaticContact CE3-CD2 3.44Å; W162-F168 HydrophobicContact CE3-CD2 3.44Å; W162-F168 VanDerWaalsContact CE3-CD2 3.44Å; W162-F168 AromaticContact CE3-CE2 3.87Å; W162-F168 HydrophobicContact CE3-CE2 3.87Å; W162-F168 AromaticContact CE3-CG 3.93Å; W162-F168 HydrophobicContact CE3-CG 3.93Å; W162-F168 AromaticContact CZ3-CD2 3.78Å; W162-F168 HydrophobicContact CZ3-CD2 3.78Å; W162-F168 AromaticContact CZ3-CE2 3.76Å; W162-F168 HydrophobicContact CZ3-CE2 3.76Å; W162-F168 WeakPolarHBondContact O-CB 3.36Å; W162-V182 HydrophobicContact CB-CG1 4.42Å; W162-V182 HydrophobicContact CG-CG1 4.11Å; W162-P183 HydrophobicContact CD2-CG 4.12Å; W162-P183 HydrophobicContact CE3-CG 4.06Å; W162-P183 HydrophobicContact CH2-CG 3.24Å; W162-P183 VanDerWaalsContact CZ2-CD 3.44Å; W162-P183 HydrophobicContact CZ2-CG 3.28Å; W162-P183 HydrophobicContact CZ3-CG 3.64Å |
| 163 | N | 96.7 | Very high | 95.8 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -63.7 | -19 | 168 | -73 | -41.1 | 0 | 0 | 0 | 113.6 | D160 D161 N165 N169 C170 R205 | D160-N163 VanDerWaalsContact O-CB 3.27Å; D160-N163 WeakPolarHBondContact O-CB 3.25Å; D160-N163 PolarHBondContact O-N 3.15Å; D160-N163 PolarHBondContact O-ND2 2.91Å; D160-N163 VanDerWaalsContact O-ND2 3.11Å; D161-N163 PolarHBondContact O-N 3.35Å; D161-N163 VanDerWaalsContact O-N 3.09Å; N163-N165 VanDerWaalsContact C-N 3.26Å; N163-N165 PolarHBondContact O-N 3.45Å; N163-N169 PolarHBondContact O-ND2 3.49Å; N163-C170 WeakPolarHBondContact OD1-CB 3.29Å; N163-C170 PolarHBondContact OD1-N 2.97Å; N163-C170 VanDerWaalsContact OD1-N 3.1Å; N163-R205 PolarHBondContact ND2-NH1 2.91Å; N163-R205 PolarHBondContact OD1-NH1 3.44Å |
| 164 | L | 95.9 | Very high | 95.7 | Very high | 63 Ų | 63 | 47.5 Ų | 47.5 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -72.5 | -20.3 | 176.3 | -62.4 | 176.9 | 0 | 0 | 0 | 113 | N128 I131 R132 D161 W162 | N128-L164 HydrophobicContact CB-CD1 3.65Å; N128-L164 WeakPolarHBondContact ND2-CD1 3.38Å; I131-L164 HydrophobicContact CG2-CB 4.43Å; R132-L164 HydrophobicContact CG-CB 3.92Å; D161-L164 VanDerWaalsContact O-CB 3.29Å; D161-L164 WeakPolarHBondContact O-CB 3.46Å; D161-L164 VanDerWaalsContact O-CG 3.31Å; D161-L164 WeakPolarHBondContact O-CG 3.49Å; D161-L164 PolarHBondContact O-N 3.2Å; W162-L164 PolarHBondContact O-N 2.94Å |
| 165 | N | 95.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -92.4 | 135.9 | 179.6 | -174 | -75.1 | 0 | 0 | 0 | 111.5 | I131 R132 W162 N163 Y167 F168 N169 | I131-N165 HydrophobicContact CG2-CB 4.19Å; I131-N165 WeakPolarHBondContact O-CB 3.4Å; I131-N165 PolarHBondContact O-ND2 2.9Å; R132-N165 PolarHBondContact O-ND2 3.04Å; W162-N165 HydrophobicContact CE3-CB 4.17Å; W162-N165 HydrophobicContact CZ3-CB 4.44Å; W162-N165 PolarHBondContact O-N 3.4Å; N163-N165 VanDerWaalsContact C-N 3.26Å; N163-N165 PolarHBondContact O-N 3.45Å; N165-Y167 VanDerWaalsContact C-N 3.26Å; N165-Y167 PolarHBondContact O-N 3.41Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.34Å; N165-Y167 VanDerWaalsContact OD1-CD2 3.32Å; N165-Y167 WeakPolarHBondContact OD1-CD2 2.94Å; N165-Y167 PolarHBondContact OD1-N 3.39Å; N165-F168 HydrophobicContact CB-CD2 4.01Å; N165-F168 PolarHBondContact O-N 3.46Å; N165-F168 WeakPolarHBondContact OD1-CD2 3.47Å; N165-N169 WeakPolarHBondContact O-CB 3.33Å; N165-N169 PolarHBondContact O-N 2.92Å |
| 166 | I | 95.1 | Very high | 95.4 | Very high | 116 Ų | 116 | 53.8 Ų | 53.8 | 60% | 0.595 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -30.9 | -176.8 | 63.5 | 176.1 | 0 | 0 | 0 | 113.9 | N174 | I166-N174 PolarHBondContact O-ND2 3.21Š|
| 167 | Y | 95.4 | Very high | 95.3 | Very high | 93 Ų | 93 | 61.6 Ų | 61.6 | 37% | 0.365 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -31.4 | -178.2 | -61.2 | -79.4 | 0 | 0 | 0 | 112.8 | R135 N165 S176 E178 R179 | R135-Y167 HydrophobicContact CB-CD2 3.97Å; R135-Y167 HydrophobicContact CB-CE2 3.56Å; R135-Y167 HydrophobicContact CG-CD2 3.48Å; R135-Y167 VanDerWaalsContact CG-CD2 3.48Å; R135-Y167 HydrophobicContact CG-CE2 3.59Å; R135-Y167 HydrophobicContact CG-CG 4.29Å; N165-Y167 VanDerWaalsContact C-N 3.26Å; N165-Y167 PolarHBondContact O-N 3.41Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.34Å; N165-Y167 VanDerWaalsContact OD1-CD2 3.32Å; N165-Y167 WeakPolarHBondContact OD1-CD2 2.94Å; N165-Y167 PolarHBondContact OD1-N 3.39Å; Y167-S176 WeakPolarHBondContact O-CB 3.44Å; Y167-S176 PolarHBondContact O-OG 3Å; Y167-E178 CarbonylContact O-C 3.55Å; Y167-R179 PolarHBondContact O-N 2.87Å |
| 168 | F | 97 | Very high | 95.1 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -13.2 | -174.9 | -60.9 | -81 | 0 | 0 | 0 | 113.2 | Y134 W162 N165 C170 E178 C180 P183 R205 | Y134-F168 AromaticContact CD1-CE2 3.85Å; Y134-F168 HydrophobicContact CD1-CE2 3.85Å; Y134-F168 AromaticContact CE1-CE2 3.93Å; Y134-F168 HydrophobicContact CE1-CE2 3.93Å; Y134-F168 HydrophobicContact CE1-CZ 4.14Å; W162-F168 HydrophobicContact CB-CB 4.06Å; W162-F168 HydrophobicContact CD2-CD2 4.48Å; W162-F168 HydrophobicContact CE3-CB 4.33Å; W162-F168 AromaticContact CE3-CD2 3.44Å; W162-F168 HydrophobicContact CE3-CD2 3.44Å; W162-F168 VanDerWaalsContact CE3-CD2 3.44Å; W162-F168 AromaticContact CE3-CE2 3.87Å; W162-F168 HydrophobicContact CE3-CE2 3.87Å; W162-F168 AromaticContact CE3-CG 3.93Å; W162-F168 HydrophobicContact CE3-CG 3.93Å; W162-F168 AromaticContact CZ3-CD2 3.78Å; W162-F168 HydrophobicContact CZ3-CD2 3.78Å; W162-F168 AromaticContact CZ3-CE2 3.76Å; W162-F168 HydrophobicContact CZ3-CE2 3.76Å; W162-F168 WeakPolarHBondContact O-CB 3.36Å; N165-F168 HydrophobicContact CB-CD2 4.01Å; N165-F168 PolarHBondContact O-N 3.46Å; N165-F168 WeakPolarHBondContact OD1-CD2 3.47Å; F168-C170 PolarHBondContact O-N 3.05Å; F168-E178 HydrophobicContact CD1-CB 3.88Å; F168-E178 WeakPolarHBondContact CD1-O 3.38Å; F168-E178 HydrophobicContact CE1-CB 3.77Å; F168-E178 HydrophobicContact CE1-CG 4.36Å; F168-C180 PolarHBondContact O-N 3.43Å; F168-P183 HydrophobicContact CE1-CG 4.33Å; F168-P183 HydrophobicContact CE2-CG 4.23Å; F168-P183 HydrophobicContact CZ-CG 3.86Å; F168-R205 PolarHBondContact O-NH2 3.39Å |
| 169 | N | 96.3 | Very high | 95.1 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | trans | -50.9 | 130.6 | -178.5 | -173.7 | -58.7 | 0 | 0 | 0 | 113.2 | N163 N165 T171 N174 | N163-N169 PolarHBondContact O-ND2 3.49Å; N165-N169 WeakPolarHBondContact O-CB 3.33Å; N165-N169 PolarHBondContact O-N 2.92Å; N169-T171 VanDerWaalsContact C-N 3.27Å; N169-T171 PolarHBondContact O-N 3.27Å; N169-T171 VanDerWaalsContact OD1-CB 3.25Å; N169-T171 WeakPolarHBondContact OD1-CB 3.21Å; N169-T171 PolarHBondContact OD1-N 3.24Å; N169-T171 PolarHBondContact OD1-OG1 3.49Å; N169-N174 PolarHBondContact O-ND2 2.99Å | ||
| 170 | C | 95.2 | Very high | 95.1 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 27% | 0.27 | 34% | 0.339 | S | S | . | . | trans | -76.4 | 2.2 | -176.3 | -96.6 | 0 | 0 | 0 | 0 | 116.4 | N163 F168 C180 | N163-C170 WeakPolarHBondContact OD1-CB 3.29Å; N163-C170 PolarHBondContact OD1-N 2.97Å; N163-C170 VanDerWaalsContact OD1-N 3.1Å; F168-C170 PolarHBondContact O-N 3.05Å; C170-C180 WeakPolarHBondContact CA-SG 3.31Å; C170-C180 HydrophobicContact CB-CB 4.34Å; C170-C180 WeakPolarHBondContact CB-SG 3.4Å; C170-C180 WeakPolarHBondContact SG-CA 3.37Å; C170-C180 WeakPolarHBondContact SG-CB 3.31Å; C170-C180 CovalentContact SG-SG 2.05Å; C170-C180 PolarHBondContact SG-SG 3.34Å | ||
| 171 | T | 94.6 | Very high | 95.1 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | trans | -63.4 | 138.9 | -178.6 | -54 | 0 | 0 | 0 | 0 | 110.5 | N169 S173 N174 | N169-T171 VanDerWaalsContact C-N 3.27Å; N169-T171 PolarHBondContact O-N 3.27Å; N169-T171 VanDerWaalsContact OD1-CB 3.25Å; N169-T171 WeakPolarHBondContact OD1-CB 3.21Å; N169-T171 PolarHBondContact OD1-N 3.24Å; N169-T171 PolarHBondContact OD1-OG1 3.49Å; T171-S173 VanDerWaalsContact CG2-OG 3.29Å; T171-S173 WeakPolarHBondContact CG2-OG 3.32Å; T171-S173 PolarHBondContact O-N 3.37Å; T171-S173 VanDerWaalsContact O-N 3.11Å; T171-N174 WeakPolarHBondContact O-CB 3.41Å; T171-N174 PolarHBondContact O-N 3.02Å | ||
| 172 | D | 90.9 | Very high | 95.1 | Very high | 149 Ų | 149 | 57 Ų | 57 | 80% | 0.797 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.2 | -179.6 | -67.7 | -40.7 | 0 | 0 | 0 | 113.8 | N174 | D172-N174 PolarHBondContact O-N 3.43Š|
| 173 | S | 93.2 | Very high | 95.1 | Very high | 107 Ų | 107 | 57 Ų | 57 | 75% | 0.748 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8.1 | 174.7 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | T171 A175 | T171-S173 VanDerWaalsContact CG2-OG 3.29Å; T171-S173 WeakPolarHBondContact CG2-OG 3.32Å; T171-S173 PolarHBondContact O-N 3.37Å; T171-S173 VanDerWaalsContact O-N 3.11Å; S173-A175 PolarHBondContact O-N 3.26Å |
| 174 | N | 93.3 | Very high | 95 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | trans | -76.2 | 112.8 | -179.8 | -167.7 | -8.6 | 0 | 0 | 0 | 110.7 | I166 N169 T171 D172 S176 R179 | I166-N174 PolarHBondContact O-ND2 3.21Å; N169-N174 PolarHBondContact O-ND2 2.99Å; T171-N174 WeakPolarHBondContact O-CB 3.41Å; T171-N174 PolarHBondContact O-N 3.02Å; D172-N174 PolarHBondContact O-N 3.43Å; N174-S176 VanDerWaalsContact C-N 3.26Å; N174-S176 PolarHBondContact O-N 3.05Å; N174-S176 WeakPolarHBondContact OD1-CB 3.23Å; N174-S176 PolarHBondContact OD1-N 2.91Å; N174-R179 HydrophobicContact CB-CB 4.23Å; N174-R179 VanDerWaalsContact O-CD 3.31Å; N174-R179 WeakPolarHBondContact O-CD 3.49Å | ||
| 175 | A | 93.4 | Very high | 94.9 | Very high | 107 Ų | 107 | 55.2 Ų | 55.2 | 88% | 0.884 | 30% | 0.297 | S | S | * | . | trans | -79.1 | -5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S173 | S173-A175 PolarHBondContact O-N 3.26Š| ||
| 176 | S | 94.3 | Very high | 95 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | trans | -63 | 137.6 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | Y167 N174 E178 R179 | Y167-S176 WeakPolarHBondContact O-CB 3.44Å; Y167-S176 PolarHBondContact O-OG 3Å; N174-S176 VanDerWaalsContact C-N 3.26Å; N174-S176 PolarHBondContact O-N 3.05Å; N174-S176 WeakPolarHBondContact OD1-CB 3.23Å; N174-S176 PolarHBondContact OD1-N 2.91Å; S176-E178 PolarHBondContact O-N 3.28Å; S176-E178 PolarHBondContact OG-N 3.29Å; S176-E178 VanDerWaalsContact OG-N 3.14Å; S176-R179 WeakPolarHBondContact O-CB 3.31Å; S176-R179 WeakPolarHBondContact O-CG 3.48Å; S176-R179 PolarHBondContact O-N 3.41Å | ||
| 177 | R | 94 | Very high | 94.9 | Very high | 164 Ų | 164 | 49.9 Ų | 49.9 | 62% | 0.619 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24 | 172 | -177.9 | 56.2 | -174.8 | 131.9 | 1.3 | 112.1 | R179 Y202 D203 | R177-R179 VanDerWaalsContact C-N 3.28Å; R177-Y202 HydrophobicContact CG-CD1 4.17Å; R177-Y202 HydrophobicContact CG-CE1 3.78Å; R177-Y202 WeakPolarHBondContact O-CD1 3.25Å; R177-D203 IonicContact CZ-OD2 3.69Å; R177-D203 IonicContact NH1-OD1 3.95Å; R177-D203 IonicContact NH1-OD2 2.9Å; R177-D203 PolarHBondContact NH1-OD2 2.87Å; R177-D203 IonicContact NH2-OD2 3.66Å |
| 178 | E | 94.3 | Very high | 94.8 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 5.5 | 178.6 | -57.5 | -174.6 | 110.7 | 0 | 0 | 112.7 | R135 Y167 F168 S176 G181 Y202 | R135-E178 IonicContact CZ-OE2 2.87Å; R135-E178 IonicContact NE-OE2 2.69Å; R135-E178 IonicContact NH2-OE1 3.7Å; R135-E178 PolarHBondContact NH2-OE1 3.48Å; R135-E178 IonicContact NH2-OE2 2.8Å; R135-E178 PolarHBondContact NH2-OE2 2.95Å; Y167-E178 CarbonylContact O-C 3.55Å; F168-E178 HydrophobicContact CD1-CB 3.88Å; F168-E178 WeakPolarHBondContact CD1-O 3.38Å; F168-E178 HydrophobicContact CE1-CB 3.77Å; F168-E178 HydrophobicContact CE1-CG 4.36Å; S176-E178 PolarHBondContact O-N 3.28Å; S176-E178 PolarHBondContact OG-N 3.29Å; S176-E178 VanDerWaalsContact OG-N 3.14Å; E178-G181 WeakPolarHBondContact O-CA 3.07Å; E178-G181 PolarHBondContact O-N 2.88Å; E178-Y202 HydrophobicContact CG-CE1 3.87Å |
| 179 | R | 95.7 | Very high | 94.2 | Very high | 77 Ų | 77 | 53.5 Ų | 53.5 | 29% | 0.291 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 140.8 | 177.1 | 75.5 | -177.8 | -167.3 | 105.7 | 6.7 | 110.8 | Y167 N174 S176 R177 G181 | Y167-R179 PolarHBondContact O-N 2.87Å; N174-R179 HydrophobicContact CB-CB 4.23Å; N174-R179 VanDerWaalsContact O-CD 3.31Å; N174-R179 WeakPolarHBondContact O-CD 3.49Å; S176-R179 WeakPolarHBondContact O-CB 3.31Å; S176-R179 WeakPolarHBondContact O-CG 3.48Å; S176-R179 PolarHBondContact O-N 3.41Å; R177-R179 VanDerWaalsContact C-N 3.28Å; R179-G181 PolarHBondContact O-N 3.32Å |
| 180 | C | 95.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 7% | 0.068 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 16.8 | -172.3 | -67.6 | 0 | 0 | 0 | 0 | 115.4 | F168 C170 D203 A204 R205 Q206 | F168-C180 PolarHBondContact O-N 3.43Å; C170-C180 WeakPolarHBondContact CA-SG 3.31Å; C170-C180 HydrophobicContact CB-CB 4.34Å; C170-C180 WeakPolarHBondContact CB-SG 3.4Å; C170-C180 WeakPolarHBondContact SG-CA 3.37Å; C170-C180 WeakPolarHBondContact SG-CB 3.31Å; C170-C180 CovalentContact SG-SG 2.05Å; C170-C180 PolarHBondContact SG-SG 3.34Å; C180-D203 CarbonylContact O-C 3.6Å; C180-A204 PolarHBondContact O-N 2.94Å; C180-R205 VanDerWaalsContact O-CB 3.29Å; C180-R205 WeakPolarHBondContact O-CB 3.04Å; C180-R205 PolarHBondContact O-N 3.01Å; C180-Q206 HydrophobicContact CB-CG 3.63Å |
| 181 | G | 96.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | trans | -96.6 | -175.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | E178 R179 G201 R205 | E178-G181 WeakPolarHBondContact O-CA 3.07Å; E178-G181 PolarHBondContact O-N 2.88Å; R179-G181 PolarHBondContact O-N 3.32Å; G181-G201 CarbonylContact C-O 3.53Å; G181-G201 WeakPolarHBondContact CA-O 3.2Å; G181-R205 PolarHBondContact O-NE 2.74Å; G181-R205 PolarHBondContact O-NH2 2.98Å | ||
| 182 | V | 96.9 | Very high | 91.4 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | trans | -136.6 | 160.4 | 167.8 | -64.5 | 0 | 0 | 0 | 0 | 108 | A159 W162 C186 G201 R205 I216 | A159-V182 HydrophobicContact CB-CG1 4.1Å; W162-V182 HydrophobicContact CB-CG1 4.42Å; W162-V182 HydrophobicContact CG-CG1 4.11Å; V182-C186 HydrophobicContact CB-CB 4Å; V182-C186 HydrophobicContact CG2-CB 3.57Å; V182-G201 PolarHBondContact N-O 3.41Å; V182-G201 VanDerWaalsContact N-O 3.15Å; V182-G201 WeakPolarHBondContact O-CA 3.34Å; V182-R205 HydrophobicContact CG1-CG 4.22Å; V182-I216 HydrophobicContact CG1-CD1 4.45Å; V182-I216 HydrophobicContact CG2-CB 4.36Å; V182-I216 HydrophobicContact CG2-CD1 4.07Å; V182-I216 HydrophobicContact CG2-CG2 3.76Å | ||
| 183 | P | 96.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.013 | 33% | 0.333 | C | S | . | . | trans | -60.2 | 160.9 | 174.3 | -24.2 | 34 | 0 | 0 | 0 | 113.3 | Y134 W162 F168 S185 C186 | Y134-P183 HydrophobicContact CE1-CB 4.35Å; Y134-P183 HydrophobicContact CE1-CG 3.88Å; Y134-P183 HydrophobicContact CE2-CG 4.2Å; Y134-P183 WeakPolarHBondContact OH-CB 3.39Å; W162-P183 HydrophobicContact CD2-CG 4.12Å; W162-P183 HydrophobicContact CE3-CG 4.06Å; W162-P183 HydrophobicContact CH2-CG 3.24Å; W162-P183 VanDerWaalsContact CZ2-CD 3.44Å; W162-P183 HydrophobicContact CZ2-CG 3.28Å; W162-P183 HydrophobicContact CZ3-CG 3.64Å; F168-P183 HydrophobicContact CE1-CG 4.33Å; F168-P183 HydrophobicContact CE2-CG 4.23Å; F168-P183 HydrophobicContact CZ-CG 3.86Å; P183-S185 PolarHBondContact O-N 2.91Å; P183-C186 WeakPolarHBondContact O-CB 3.38Å; P183-C186 PolarHBondContact O-N 3.38Å | ||
| 184 | F | 94.7 | Very high | 89.7 | Confident | 76 Ų | 76 | 63 Ų | 63 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -60.8 | -26.1 | 178.7 | 77.2 | -86.8 | 0 | 0 | 0 | 113 | D145 E149 C186 C187 | D145-F184 HydrophobicContact CB-CZ 4.38Å; D145-F184 WeakPolarHBondContact OD2-CE1 3.3Å; E149-F184 VanDerWaalsContact OE1-CE2 3.25Å; E149-F184 WeakPolarHBondContact OE1-CE2 3.42Å; F184-C186 PolarHBondContact O-N 3.06Å; F184-C187 WeakPolarHBondContact O-CB 3.26Å; F184-C187 PolarHBondContact O-N 2.95Å; F184-C187 PolarHBondContact O-SG 3.09Å |
| 185 | S | 95.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -67.3 | -16.8 | 177 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | D145 Q148 P183 C187 | D145-S185 VanDerWaalsContact CA-CB 3.42Å; D145-S185 WeakPolarHBondContact CA-OG 3.39Å; D145-S185 WeakPolarHBondContact O-CB 3.34Å; D145-S185 WeakPolarHBondContact OD1-CB 3.27Å; D145-S185 PolarHBondContact OD1-OG 3.32Å; Q148-S185 PolarHBondContact NE2-OG 2.94Å; P183-S185 PolarHBondContact O-N 2.91Å; S185-C187 VanDerWaalsContact C-N 3.29Å |
| 186 | C | 96.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -80 | -8.3 | 169.6 | -68.7 | 0 | 0 | 0 | 0 | 113.2 | Q148 C154 V182 P183 F184 I216 Y217 | Q148-C186 PolarHBondContact NE2-SG 3.22Å; C154-C186 WeakPolarHBondContact CA-SG 3.45Å; C154-C186 HydrophobicContact CB-CB 3.69Å; C154-C186 WeakPolarHBondContact CB-SG 3.37Å; C154-C186 WeakPolarHBondContact SG-CB 3.36Å; C154-C186 CovalentContact SG-SG 2.04Å; C154-C186 PolarHBondContact SG-SG 3.44Å; V182-C186 HydrophobicContact CB-CB 4Å; V182-C186 HydrophobicContact CG2-CB 3.57Å; P183-C186 WeakPolarHBondContact O-CB 3.38Å; P183-C186 PolarHBondContact O-N 3.38Å; F184-C186 PolarHBondContact O-N 3.06Å; C186-I216 CarbonylContact O-C 3.36Å; C186-I216 VanDerWaalsContact O-CA 3.25Å; C186-I216 WeakPolarHBondContact O-CA 3.45Å; C186-Y217 VanDerWaalsContact O-CD2 3.26Å; C186-Y217 WeakPolarHBondContact O-CD2 3.16Å; C186-Y217 PolarHBondContact O-N 3.14Å |
| 187 | C | 94.8 | Very high | 87.6 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.034 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -68.1 | 137 | -176.4 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | F184 S185 I196 N197 C200 Y217 | F184-C187 WeakPolarHBondContact O-CB 3.26Å; F184-C187 PolarHBondContact O-N 2.95Å; F184-C187 PolarHBondContact O-SG 3.09Å; S185-C187 VanDerWaalsContact C-N 3.29Å; C187-I196 HydrophobicContact CB-CG2 4Å; C187-N197 PolarHBondContact SG-O 2.96Å; C187-N197 VanDerWaalsContact SG-O 3.34Å; C187-C200 WeakPolarHBondContact CA-SG 3.46Å; C187-C200 HydrophobicContact CB-CB 3.95Å; C187-C200 WeakPolarHBondContact CB-SG 3.33Å; C187-C200 WeakPolarHBondContact SG-CB 3.4Å; C187-C200 CovalentContact SG-SG 2Å; C187-C200 PolarHBondContact SG-SG 3.42Å; C187-Y217 VanDerWaalsContact O-CE2 3.25Å; C187-Y217 WeakPolarHBondContact O-CE2 3.08Å |
| 188 | T | 92 | Very high | 87.2 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 141.2 | 169 | 52.7 | 0 | 0 | 0 | 0 | 109.9 | I214 V215 Y217 | T188-I214 PolarHBondContact OG1-O 3.05Å; T188-V215 PolarHBondContact N-O 2.69Å; T188-V215 VanDerWaalsContact OG1-C 3.23Å; T188-V215 PolarHBondContact OG1-O 2.85Å; T188-V215 VanDerWaalsContact OG1-O 3.05Å; T188-Y217 HydrophobicContact CG2-CD1 3.84Å; T188-Y217 HydrophobicContact CG2-CE1 3.77Å; T188-Y217 HydrophobicContact CG2-CG 4.46Å |
| 189 | K | 84.3 | Confident | 86.9 | Confident | 126 Ų | 126 | 68.6 Ų | 68.6 | 55% | 0.548 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 124.5 | 172 | -69 | 178.1 | 175.5 | 173.7 | 0 | 108.9 | I196 | K189-I196 HydrophobicContact CG-CD1 4.28Å; K189-I196 HydrophobicContact CG-CG1 4.12Å |
| 190 | D | 78.1 | Confident | 86.8 | Confident | 86 Ų | 86 | 65.5 Ų | 65.5 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 122.9 | 171.6 | -167.8 | -32.6 | 0 | 0 | 0 | 108.9 | A192 E193 | D190-A192 PolarHBondContact O-N 3.47Å; D190-A192 WeakPolarHBondContact OD1-CB 3.18Å; D190-A192 PolarHBondContact OD1-N 2.79Å; D190-E193 HydrophobicContact CB-CB 4.36Å; D190-E193 PolarHBondContact O-N 3.33Å |
| 191 | P | 74.6 | Confident | 86.6 | Confident | 134 Ų | 134 | 65.1 Ų | 65.1 | 87% | 0.87 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.1 | 176.6 | 26.1 | -34.8 | 0 | 0 | 0 | 114.1 | ||
| 192 | A | 75.8 | Confident | 86.5 | Confident | 89 Ų | 89 | 69 Ų | 69 | 74% | 0.736 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -15.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D190 | D190-A192 PolarHBondContact O-N 3.47Å; D190-A192 WeakPolarHBondContact OD1-CB 3.18Å; D190-A192 PolarHBondContact OD1-N 2.79Å |
| 193 | E | 72.3 | Confident | 86.4 | Confident | 123 Ų | 123 | 70.4 Ų | 70.4 | 58% | 0.575 | 38% | 0.383 | S | S | * | . | trans | -125.6 | 130 | -176.5 | -62 | -169.9 | 168 | 0 | 0 | 111.5 | D190 V195 | D190-E193 HydrophobicContact CB-CB 4.36Å; D190-E193 PolarHBondContact O-N 3.33Å; E193-V195 PolarHBondContact O-N 2.86Å | ||
| 194 | D | 74.4 | Confident | 86.2 | Confident | 181 Ų | 181 | 70.4 Ų | 70.4 | 97% | 0.968 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -73.9 | -5.7 | 177.3 | -78.7 | -26.7 | 0 | 0 | 0 | 113.4 | ||
| 195 | V | 77.9 | Confident | 86.2 | Confident | 114 Ų | 114 | 67.6 Ų | 67.6 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -116.9 | 123.9 | -174 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | E193 N197 | E193-V195 PolarHBondContact O-N 2.86Å; V195-N197 PolarHBondContact O-N 2.79Å |
| 196 | I | 76.3 | Confident | 86.1 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 25% | 0.251 | 39% | 0.393 | S | S | . | . | trans | -67.2 | 128.9 | 174.9 | -54.9 | 175.3 | 0 | 0 | 0 | 108.9 | C187 K189 T198 | C187-I196 HydrophobicContact CB-CG2 4Å; K189-I196 HydrophobicContact CG-CD1 4.28Å; K189-I196 HydrophobicContact CG-CG1 4.12Å; I196-T198 PolarHBondContact O-N 2.71Å | ||
| 197 | N | 83.5 | Confident | 85.9 | Confident | 91 Ų | 91 | 76.6 Ų | 76.6 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | trans | -68.1 | 95.9 | 168.2 | -178.7 | -1.3 | 0 | 0 | 0 | 109.7 | C187 V195 Q199 C200 | C187-N197 PolarHBondContact SG-O 2.96Å; C187-N197 VanDerWaalsContact SG-O 3.34Å; V195-N197 PolarHBondContact O-N 2.79Å; N197-Q199 PolarHBondContact O-N 3.2Å; N197-Q199 WeakPolarHBondContact OD1-CA 3.27Å; N197-Q199 WeakPolarHBondContact OD1-CB 3.31Å; N197-Q199 PolarHBondContact OD1-N 3.16Å; N197-C200 HydrophobicContact CB-CB 4.22Å; N197-C200 VanDerWaalsContact O-CB 3.32Å; N197-C200 WeakPolarHBondContact O-CB 3.19Å; N197-C200 PolarHBondContact O-N 3.4Å; N197-C200 PolarHBondContact OD1-N 3.47Å | ||
| 198 | T | 85.8 | Confident | 85.7 | Confident | 95 Ų | 95 | 80.3 Ų | 80.3 | 58% | 0.583 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.7 | 178.6 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | I196 | I196-T198 PolarHBondContact O-N 2.71Š|
| 199 | Q | 88.5 | Confident | 85.5 | Confident | 133 Ų | 133 | 84.3 Ų | 84.3 | 62% | 0.621 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 6.3 | 176 | -59.2 | -175.6 | -22.8 | 0 | 0 | 113 | N197 G201 Y202 | N197-Q199 PolarHBondContact O-N 3.2Å; N197-Q199 WeakPolarHBondContact OD1-CA 3.27Å; N197-Q199 WeakPolarHBondContact OD1-CB 3.31Å; N197-Q199 PolarHBondContact OD1-N 3.16Å; Q199-G201 PolarHBondContact O-N 2.97Å; Q199-G201 VanDerWaalsContact O-N 3.15Å; Q199-Y202 HydrophobicContact CB-CD2 3.83Å; Q199-Y202 HydrophobicContact CB-CE2 4.06Å; Q199-Y202 HydrophobicContact CG-CD2 4.32Å; Q199-Y202 HydrophobicContact CG-CE2 4.05Å; Q199-Y202 WeakPolarHBondContact O-CD2 3.35Å; Q199-Y202 PolarHBondContact O-N 2.87Å |
| 200 | C | 92.2 | Very high | 85.8 | Confident | 11 Ų | 11 | 83.4 Ų | 83.4 | 7% | 0.074 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.3 | -177.7 | 99.1 | 0 | 0 | 0 | 0 | 112.6 | C187 N197 Y202 V215 | C187-C200 WeakPolarHBondContact CA-SG 3.46Å; C187-C200 HydrophobicContact CB-CB 3.95Å; C187-C200 WeakPolarHBondContact CB-SG 3.33Å; C187-C200 WeakPolarHBondContact SG-CB 3.4Å; C187-C200 CovalentContact SG-SG 2Å; C187-C200 PolarHBondContact SG-SG 3.42Å; N197-C200 HydrophobicContact CB-CB 4.22Å; N197-C200 VanDerWaalsContact O-CB 3.32Å; N197-C200 WeakPolarHBondContact O-CB 3.19Å; N197-C200 PolarHBondContact O-N 3.4Å; N197-C200 PolarHBondContact OD1-N 3.47Å; C200-Y202 VanDerWaalsContact C-N 3.32Å; C200-Y202 PolarHBondContact O-N 2.88Å; C200-V215 HydrophobicContact CB-CG1 3.54Å; C200-V215 WeakPolarHBondContact O-CG1 3.32Å; C200-V215 PolarHBondContact SG-O 3.03Å |
| 201 | G | 92.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 82.9 Ų | 82.9 | 3% | 0.031 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G181 V182 Q199 D203 A204 | G181-G201 CarbonylContact C-O 3.53Å; G181-G201 WeakPolarHBondContact CA-O 3.2Å; V182-G201 PolarHBondContact N-O 3.41Å; V182-G201 VanDerWaalsContact N-O 3.15Å; V182-G201 WeakPolarHBondContact O-CA 3.34Å; Q199-G201 PolarHBondContact O-N 2.97Å; Q199-G201 VanDerWaalsContact O-N 3.15Å; G201-D203 PolarHBondContact O-N 2.89Å; G201-A204 WeakPolarHBondContact O-CB 3.45Å; G201-A204 PolarHBondContact O-N 3.08Å |
| 202 | Y | 94.2 | Very high | 87.2 | Confident | 81 Ų | 81 | 77.6 Ų | 77.6 | 32% | 0.318 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 131.4 | -179.7 | -75.6 | -82.3 | 0 | 0 | 0 | 111.8 | R177 E178 Q199 C200 A204 | R177-Y202 HydrophobicContact CG-CD1 4.17Å; R177-Y202 HydrophobicContact CG-CE1 3.78Å; R177-Y202 WeakPolarHBondContact O-CD1 3.25Å; E178-Y202 HydrophobicContact CG-CE1 3.87Å; Q199-Y202 HydrophobicContact CB-CD2 3.83Å; Q199-Y202 HydrophobicContact CB-CE2 4.06Å; Q199-Y202 HydrophobicContact CG-CD2 4.32Å; Q199-Y202 HydrophobicContact CG-CE2 4.05Å; Q199-Y202 WeakPolarHBondContact O-CD2 3.35Å; Q199-Y202 PolarHBondContact O-N 2.87Å; C200-Y202 VanDerWaalsContact C-N 3.32Å; C200-Y202 PolarHBondContact O-N 2.88Å; Y202-A204 PolarHBondContact O-N 3.12Å |
| 203 | D | 93.4 | Very high | 87.9 | Confident | 35 Ų | 35 | 78.3 Ų | 78.3 | 19% | 0.187 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 15.9 | 178.6 | -59.1 | -60.4 | 0 | 0 | 0 | 113.1 | R177 C180 G201 R205 Q206 | R177-D203 IonicContact CZ-OD2 3.69Å; R177-D203 IonicContact NH1-OD1 3.95Å; R177-D203 IonicContact NH1-OD2 2.9Å; R177-D203 PolarHBondContact NH1-OD2 2.87Å; R177-D203 IonicContact NH2-OD2 3.66Å; C180-D203 CarbonylContact O-C 3.6Å; G201-D203 PolarHBondContact O-N 2.89Å; D203-R205 VanDerWaalsContact C-N 3.3Å; D203-R205 PolarHBondContact O-N 3.26Å; D203-Q206 WeakPolarHBondContact O-CB 3.27Å; D203-Q206 PolarHBondContact O-N 3.28Å; D203-Q206 VanDerWaalsContact O-N 3.08Å; D203-Q206 PolarHBondContact OD1-NE2 2.88Å |
| 204 | A | 93.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 78.2 Ų | 78.2 | 2% | 0.017 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -61.1 | -40.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | C180 G201 Y202 Q206 K207 Q212 I216 | C180-A204 PolarHBondContact O-N 2.94Å; G201-A204 WeakPolarHBondContact O-CB 3.45Å; G201-A204 PolarHBondContact O-N 3.08Å; Y202-A204 PolarHBondContact O-N 3.12Å; A204-Q206 VanDerWaalsContact C-N 3.26Å; A204-Q206 PolarHBondContact O-N 3.5Å; A204-K207 WeakPolarHBondContact O-CB 3.1Å; A204-K207 PolarHBondContact O-N 3.47Å; A204-Q212 VanDerWaalsContact O-CG 3.31Å; A204-Q212 WeakPolarHBondContact O-CG 3.44Å; A204-I216 HydrophobicContact CB-CD1 4.08Å; A204-I216 HydrophobicContact CB-CG2 4.12Å |
| 205 | R | 94.8 | Very high | 89.6 | Confident | 18 Ų | 18 | 71.3 Ų | 71.3 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -78.7 | -2.8 | -179.1 | -60 | -176 | -74.3 | 127.8 | -2.4 | 114.3 | A159 D160 N163 F168 C180 G181 V182 D203 K207 | A159-R205 HydrophobicContact CB-CG 4.34Å; A159-R205 VanDerWaalsContact O-CD 3.27Å; A159-R205 WeakPolarHBondContact O-CD 3.28Å; D160-R205 IonicContact OD1-NH1 2.71Å; N163-R205 PolarHBondContact ND2-NH1 2.91Å; N163-R205 PolarHBondContact OD1-NH1 3.44Å; F168-R205 PolarHBondContact O-NH2 3.39Å; C180-R205 VanDerWaalsContact O-CB 3.29Å; C180-R205 WeakPolarHBondContact O-CB 3.04Å; C180-R205 PolarHBondContact O-N 3.01Å; G181-R205 PolarHBondContact O-NE 2.74Å; G181-R205 PolarHBondContact O-NH2 2.98Å; V182-R205 HydrophobicContact CG1-CG 4.22Å; D203-R205 VanDerWaalsContact C-N 3.3Å; D203-R205 PolarHBondContact O-N 3.26Å; R205-K207 VanDerWaalsContact C-N 3.34Å |
| 206 | Q | 93.1 | Very high | 90.4 | Very high | 99 Ų | 99 | 65.9 Ų | 65.9 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -81.2 | -19 | 169.1 | -64.1 | 174.5 | 13.3 | 0 | 0 | 112.1 | C180 D203 A204 | C180-Q206 HydrophobicContact CB-CG 3.63Å; D203-Q206 WeakPolarHBondContact O-CB 3.27Å; D203-Q206 PolarHBondContact O-N 3.28Å; D203-Q206 VanDerWaalsContact O-N 3.08Å; D203-Q206 PolarHBondContact OD1-NE2 2.88Å; A204-Q206 VanDerWaalsContact C-N 3.26Å; A204-Q206 PolarHBondContact O-N 3.5Å |
| 207 | K | 92.1 | Very high | 91.3 | Very high | 90 Ų | 90 | 65.1 Ų | 65.1 | 39% | 0.391 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -77.9 | 154.7 | 179.2 | -59.1 | 177.9 | -176.6 | 171.1 | 0 | 110.5 | A204 R205 D211 Q212 | A204-K207 WeakPolarHBondContact O-CB 3.1Å; A204-K207 PolarHBondContact O-N 3.47Å; R205-K207 VanDerWaalsContact C-N 3.34Å; K207-D211 HydrophobicContact CB-CB 4.09Å; K207-Q212 HydrophobicContact CB-CG 4.28Å; K207-Q212 PolarHBondContact O-NE2 3.38Å |
| 208 | P | 91.2 | Very high | 91.8 | Very high | 83 Ų | 83 | 62.7 Ų | 62.7 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | trans | -54.6 | 147.4 | 168 | -22.4 | 32.7 | 0 | 0 | 0 | 111.7 | V210 D211 Q212 | P208-V210 PolarHBondContact O-N 3.35Å; P208-V210 VanDerWaalsContact O-N 3.11Å; P208-D211 WeakPolarHBondContact CD-OD2 3.36Å; P208-D211 WeakPolarHBondContact O-CB 3.29Å; P208-D211 PolarHBondContact O-N 3.45Å; P208-Q212 PolarHBondContact O-N 3.37Å | ||
| 209 | E | 87.8 | Confident | 92.3 | Very high | 127 Ų | 127 | 63.6 Ų | 63.6 | 59% | 0.593 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -53 | -37.3 | -176.5 | -169.5 | -173.5 | 163.9 | 0 | 0 | 113.3 | D211 Q212 Q213 | E209-D211 VanDerWaalsContact C-N 3.29Å; E209-D211 PolarHBondContact O-N 3.2Å; E209-Q212 WeakPolarHBondContact O-CB 3.45Å; E209-Q212 PolarHBondContact O-N 3.47Å; E209-Q212 VanDerWaalsContact O-N 3.14Å; E209-Q213 WeakPolarHBondContact O-CG 3.34Å; E209-Q213 PolarHBondContact O-N 2.92Å; E209-Q213 VanDerWaalsContact O-N 3.08Å; E209-Q213 PolarHBondContact OE1-NE2 2.89Å |
| 210 | V | 90.1 | Very high | 92.7 | Very high | 107 Ų | 107 | 57.3 Ų | 57.3 | 65% | 0.648 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.4 | -40.8 | 177.2 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | P208 | P208-V210 PolarHBondContact O-N 3.35Å; P208-V210 VanDerWaalsContact O-N 3.11Å |
| 211 | D | 90.8 | Very high | 92.9 | Very high | 75 Ų | 75 | 57.1 Ų | 57.1 | 40% | 0.401 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -78.2 | -26.9 | 178.7 | -62.4 | -29.3 | 0 | 0 | 0 | 111.6 | K207 P208 E209 | K207-D211 HydrophobicContact CB-CB 4.09Å; P208-D211 WeakPolarHBondContact CD-OD2 3.36Å; P208-D211 WeakPolarHBondContact O-CB 3.29Å; P208-D211 PolarHBondContact O-N 3.45Å; E209-D211 VanDerWaalsContact C-N 3.29Å; E209-D211 PolarHBondContact O-N 3.2Å |
| 212 | Q | 91.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 57.1 Ų | 57.1 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 173.8 | -64.6 | -176.8 | 23 | 0 | 0 | 111.3 | A204 K207 P208 E209 I214 V215 I216 T218 | A204-Q212 VanDerWaalsContact O-CG 3.31Å; A204-Q212 WeakPolarHBondContact O-CG 3.44Å; K207-Q212 HydrophobicContact CB-CG 4.28Å; K207-Q212 PolarHBondContact O-NE2 3.38Å; P208-Q212 PolarHBondContact O-N 3.37Å; E209-Q212 WeakPolarHBondContact O-CB 3.45Å; E209-Q212 PolarHBondContact O-N 3.47Å; E209-Q212 VanDerWaalsContact O-N 3.14Å; Q212-I214 PolarHBondContact O-N 3.08Å; Q212-V215 PolarHBondContact O-N 2.97Å; Q212-I216 HydrophobicContact CB-CD1 4.37Å; Q212-I216 HydrophobicContact CB-CG1 4.16Å; Q212-I216 WeakPolarHBondContact O-CG1 3.47Å; Q212-I216 PolarHBondContact O-N 3.39Å; Q212-T218 HydrophobicContact CB-CG2 4.17Å |
| 213 | Q | 90.4 | Very high | 93.2 | Very high | 104 Ų | 104 | 55.4 Ų | 55.4 | 49% | 0.486 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -20.2 | -177.2 | -71 | 177.7 | 4.3 | 0 | 0 | 114 | E209 T218 | E209-Q213 WeakPolarHBondContact O-CG 3.34Å; E209-Q213 PolarHBondContact O-N 2.92Å; E209-Q213 VanDerWaalsContact O-N 3.08Å; E209-Q213 PolarHBondContact OE1-NE2 2.89Å; Q213-T218 HydrophobicContact CB-CG2 4.39Å; Q213-T218 HydrophobicContact CG-CG2 3.57Å |
| 214 | I | 89.5 | Confident | 93.3 | Very high | 120 Ų | 120 | 55.5 Ų | 55.5 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -76.9 | -34 | 176.8 | -58.4 | 171.4 | 0 | 0 | 0 | 110.7 | T188 Q212 | T188-I214 PolarHBondContact OG1-O 3.05Å; Q212-I214 PolarHBondContact O-N 3.08Å |
| 215 | V | 91.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 59.3 Ų | 59.3 | 22% | 0.218 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -107.6 | -32.2 | -166.5 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | T188 C200 Q212 | T188-V215 PolarHBondContact N-O 2.69Å; T188-V215 VanDerWaalsContact OG1-C 3.23Å; T188-V215 PolarHBondContact OG1-O 2.85Å; T188-V215 VanDerWaalsContact OG1-O 3.05Å; C200-V215 HydrophobicContact CB-CG1 3.54Å; C200-V215 WeakPolarHBondContact O-CG1 3.32Å; C200-V215 PolarHBondContact SG-O 3.03Å; Q212-V215 PolarHBondContact O-N 2.97Å |
| 216 | I | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -133.6 | 153.4 | -177 | 62.2 | 165.7 | 0 | 0 | 0 | 111.6 | A159 V182 C186 A204 Q212 T218 | A159-I216 HydrophobicContact CB-CD1 4.06Å; V182-I216 HydrophobicContact CG1-CD1 4.45Å; V182-I216 HydrophobicContact CG2-CB 4.36Å; V182-I216 HydrophobicContact CG2-CD1 4.07Å; V182-I216 HydrophobicContact CG2-CG2 3.76Å; C186-I216 CarbonylContact O-C 3.36Å; C186-I216 VanDerWaalsContact O-CA 3.25Å; C186-I216 WeakPolarHBondContact O-CA 3.45Å; A204-I216 HydrophobicContact CB-CD1 4.08Å; A204-I216 HydrophobicContact CB-CG2 4.12Å; Q212-I216 HydrophobicContact CB-CD1 4.37Å; Q212-I216 HydrophobicContact CB-CG1 4.16Å; Q212-I216 WeakPolarHBondContact O-CG1 3.47Å; Q212-I216 PolarHBondContact O-N 3.39Å; I216-T218 PolarHBondContact O-N 3.14Å |
| 217 | Y | 95.4 | Very high | 93.3 | Very high | 32 Ų | 32 | 61.6 Ų | 61.6 | 13% | 0.125 | 31% | 0.31 | C | S | . | . | trans | -65.4 | 125.5 | 166.3 | -57.9 | -57 | 0 | 0 | 0 | 109.4 | Q152 C154 C186 C187 T188 | Q152-Y217 VanDerWaalsContact C-CG 3.41Å; Q152-Y217 HydrophobicContact CB-CD1 3.9Å; Q152-Y217 HydrophobicContact CB-CD2 4.44Å; Q152-Y217 HydrophobicContact CB-CE1 3.55Å; Q152-Y217 HydrophobicContact CB-CE2 4.14Å; Q152-Y217 HydrophobicContact CB-CG 4.35Å; Q152-Y217 HydrophobicContact CG-CE1 4.05Å; Q152-Y217 HydrophobicContact CG-CE2 4.44Å; Q152-Y217 WeakPolarHBondContact O-CD1 3.28Å; C154-Y217 WeakPolarHBondContact CB-O 3.49Å; C186-Y217 VanDerWaalsContact O-CD2 3.26Å; C186-Y217 WeakPolarHBondContact O-CD2 3.16Å; C186-Y217 PolarHBondContact O-N 3.14Å; C187-Y217 VanDerWaalsContact O-CE2 3.25Å; C187-Y217 WeakPolarHBondContact O-CE2 3.08Å; T188-Y217 HydrophobicContact CG2-CD1 3.84Å; T188-Y217 HydrophobicContact CG2-CE1 3.77Å; T188-Y217 HydrophobicContact CG2-CG 4.46Å | ||
| 218 | T | 94.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 25% | 0.245 | 31% | 0.309 | C | S | . | . | trans | -98.6 | -15.3 | 178.7 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | Q212 Q213 I216 | Q212-T218 HydrophobicContact CB-CG2 4.17Å; Q213-T218 HydrophobicContact CB-CG2 4.39Å; Q213-T218 HydrophobicContact CG-CG2 3.57Å; I216-T218 PolarHBondContact O-N 3.14Å | ||
| 219 | K | 95.8 | Very high | 93.6 | Very high | 115 Ų | 115 | 61 Ų | 61 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -78.7 | 135.2 | 178 | -64.9 | -179 | -177.9 | 171.8 | 0 | 110.7 | C153 C154 | C153-K219 CarbonylContact C-O 3.27Å; C153-K219 WeakPolarHBondContact CA-O 3.39Å; C153-K219 VanDerWaalsContact CB-O 3.28Å; C153-K219 WeakPolarHBondContact CB-O 3.37Å; C154-K219 PolarHBondContact N-O 3.36Å |
| 220 | G | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -68.2 | 154.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | A156 F157 P223 Q224 | A156-G220 CarbonylContact O-C 3.57Å; A156-G220 VanDerWaalsContact O-C 3.27Å; A156-G220 VanDerWaalsContact O-CA 3.26Å; A156-G220 WeakPolarHBondContact O-CA 3.21Å; F157-G220 WeakPolarHBondContact O-CA 3.25Å; F157-G220 PolarHBondContact O-N 2.97Å; F157-G220 VanDerWaalsContact O-N 3.07Å; G220-P223 VanDerWaalsContact O-CD 3.27Å; G220-P223 WeakPolarHBondContact O-CD 2.95Å; G220-P223 VanDerWaalsContact O-CG 3.31Å; G220-P223 WeakPolarHBondContact O-CG 3.4Å; G220-Q224 WeakPolarHBondContact O-CB 3Å; G220-Q224 PolarHBondContact O-N 2.9Å; G220-Q224 VanDerWaalsContact O-N 3.14Å | ||
| 221 | C | 96.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 5% | 0.054 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.7 | -30.8 | 179.8 | -61 | 0 | 0 | 0 | 0 | 113.3 | I127 C153 G155 A156 F225 | I127-C221 HydrophobicContact CD1-CB 4.24Å; C153-C221 HydrophobicContact CB-CB 3.9Å; C153-C221 WeakPolarHBondContact CB-SG 3.29Å; C153-C221 WeakPolarHBondContact SG-CA 3.31Å; C153-C221 WeakPolarHBondContact SG-CB 3.28Å; C153-C221 CovalentContact SG-SG 2.04Å; C153-C221 PolarHBondContact SG-SG 2.86Å; G155-C221 WeakPolarHBondContact O-CB 3.3Å; G155-C221 PolarHBondContact O-N 3.35Å; G155-C221 PolarHBondContact O-SG 3.36Å; A156-C221 PolarHBondContact O-N 2.96Å; C221-F225 WeakPolarHBondContact O-CB 3.19Å; C221-F225 PolarHBondContact O-N 2.88Å |
| 222 | V | 96 | Very high | 94.4 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -57.7 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | K120 L123 I127 A156 F157 Q224 F225 E226 | K120-V222 HydrophobicContact CD-CG1 4.37Å; K120-V222 HydrophobicContact CG-CG1 3.56Å; L123-V222 HydrophobicContact CD2-CG1 4.4Å; L123-V222 HydrophobicContact CD2-CG2 4.18Å; L123-V222 HydrophobicContact CG-CG2 4.08Å; I127-V222 HydrophobicContact CD1-CG2 3.74Å; A156-V222 HydrophobicContact CB-CG2 4.21Å; A156-V222 WeakPolarHBondContact O-CB 2.99Å; A156-V222 WeakPolarHBondContact O-CG2 3.4Å; A156-V222 PolarHBondContact O-N 2.92Å; F157-V222 HydrophobicContact CD1-CB 4.34Å; F157-V222 HydrophobicContact CE1-CB 3.98Å; F157-V222 HydrophobicContact CE1-CG1 3.78Å; F157-V222 HydrophobicContact CZ-CB 4.31Å; F157-V222 HydrophobicContact CZ-CG1 3.91Å; V222-Q224 VanDerWaalsContact C-N 3.28Å; V222-Q224 PolarHBondContact O-N 2.61Å; V222-F225 PolarHBondContact O-N 3.26Å; V222-E226 PolarHBondContact O-N 2.96Å |
| 223 | P | 95.9 | Very high | 94.5 | Very high | 44 Ų | 44 | 63.2 Ų | 63.2 | 29% | 0.286 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.8 | -28.6 | 178.9 | 26.4 | -34.5 | 0 | 0 | 0 | 112.6 | A156 F157 G220 E226 K227 | A156-P223 WeakPolarHBondContact O-CD 3.36Å; F157-P223 HydrophobicContact CD1-CG 4.15Å; G220-P223 VanDerWaalsContact O-CD 3.27Å; G220-P223 WeakPolarHBondContact O-CD 2.95Å; G220-P223 VanDerWaalsContact O-CG 3.31Å; G220-P223 WeakPolarHBondContact O-CG 3.4Å; P223-E226 PolarHBondContact O-N 3.25Å; P223-K227 WeakPolarHBondContact O-CB 3.27Å; P223-K227 PolarHBondContact O-N 2.94Å |
| 224 | Q | 95.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 64.2 Ų | 64.2 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 175.6 | -174.9 | 65.2 | 13 | 0 | 0 | 111.8 | W151 C153 G220 V222 K227 W228 | W151-Q224 HydrophobicContact CB-CG 4.35Å; W151-Q224 WeakPolarHBondContact O-CG 3.49Å; W151-Q224 PolarHBondContact O-NE2 2.83Å; C153-Q224 HydrophobicContact CB-CB 4.19Å; C153-Q224 HydrophobicContact CB-CG 4.31Å; G220-Q224 WeakPolarHBondContact O-CB 3Å; G220-Q224 PolarHBondContact O-N 2.9Å; G220-Q224 VanDerWaalsContact O-N 3.14Å; V222-Q224 VanDerWaalsContact C-N 3.28Å; V222-Q224 PolarHBondContact O-N 2.61Å; Q224-K227 PolarHBondContact O-N 3.09Å; Q224-W228 PolarHBondContact O-N 3.15Å |
| 225 | F | 94 | Very high | 95.1 | Very high | 81 Ų | 81 | 63.5 Ų | 63.5 | 36% | 0.355 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 172.3 | 177.3 | -105.3 | 0 | 0 | 0 | 111.8 | L123 W151 C221 V222 K227 W228 L229 | L123-F225 HydrophobicContact CD2-CD1 4.03Å; W151-F225 HydrophobicContact CZ2-CD2 4.2Å; C221-F225 WeakPolarHBondContact O-CB 3.19Å; C221-F225 PolarHBondContact O-N 2.88Å; V222-F225 PolarHBondContact O-N 3.26Å; F225-K227 VanDerWaalsContact C-N 3.33Å; F225-K227 PolarHBondContact O-N 3.11Å; F225-W228 HydrophobicContact CD2-CE3 4.48Å; F225-W228 HydrophobicContact CE2-CE3 4.26Å; F225-W228 HydrophobicContact CE2-CZ3 4.35Å; F225-W228 PolarHBondContact O-N 3.31Å; F225-L229 WeakPolarHBondContact O-CB 3.25Å; F225-L229 PolarHBondContact O-N 3.31Å |
| 226 | E | 93.7 | Very high | 95.2 | Very high | 66 Ų | 66 | 63.1 Ų | 63.1 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.1 | -47.3 | 174.3 | -178.1 | -179.9 | 176.4 | 0 | 0 | 111.2 | K120 V222 P223 L229 Q230 | K120-E226 IonicContact NZ-OE2 3.78Å; K120-E226 PolarHBondContact NZ-OE2 3.47Å; V222-E226 PolarHBondContact O-N 2.96Å; P223-E226 PolarHBondContact O-N 3.25Å; E226-L229 PolarHBondContact O-N 2.8Å; E226-Q230 WeakPolarHBondContact O-CG 3.48Å; E226-Q230 PolarHBondContact O-N 3.25Å; E226-Q230 PolarHBondContact OE1-NE2 2.98Å |
| 227 | K | 95.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 65 Ų | 65 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 176.7 | 179.3 | 173.2 | -179.7 | 171.8 | 0 | 111.7 | P223 Q224 F225 L229 Q230 D231 | P223-K227 WeakPolarHBondContact O-CB 3.27Å; P223-K227 PolarHBondContact O-N 2.94Å; Q224-K227 PolarHBondContact O-N 3.09Å; F225-K227 VanDerWaalsContact C-N 3.33Å; F225-K227 PolarHBondContact O-N 3.11Å; K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L229 PolarHBondContact O-N 2.04Å; K227-Q230 PolarHBondContact O-N 2.92Å; K227-D231 VanDerWaalsContact CE-OD2 3.31Å; K227-D231 WeakPolarHBondContact CE-OD2 3.43Å; K227-D231 WeakPolarHBondContact O-CB 3.23Å; K227-D231 VanDerWaalsContact O-CG 3.32Å; K227-D231 PolarHBondContact O-N 3.22Å |
| 228 | W | 94.4 | Very high | 95.2 | Very high | 96 Ų | 96 | 65.4 Ų | 65.4 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 177.6 | 174.4 | 87.7 | 0 | 0 | 0 | 112 | W151 Q224 F225 Q230 D231 N232 V236 | W151-W228 HydrophobicContact CE3-CB 4.3Å; W151-W228 HydrophobicContact CE3-CG 4.38Å; W151-W228 HydrophobicContact CH2-CB 4.09Å; W151-W228 AromaticContact CH2-CD1 3.79Å; W151-W228 AromaticContact CH2-CD2 3.39Å; W151-W228 HydrophobicContact CH2-CD2 3.39Å; W151-W228 AromaticContact CH2-CE2 3.65Å; W151-W228 AromaticContact CH2-CE3 3.84Å; W151-W228 HydrophobicContact CH2-CE3 3.84Å; W151-W228 AromaticContact CH2-CG 3.5Å; W151-W228 HydrophobicContact CH2-CG 3.5Å; W151-W228 VanDerWaalsContact CH2-CG 3.5Å; W151-W228 HydrophobicContact CH2-CZ2 4.3Å; W151-W228 HydrophobicContact CH2-CZ3 4.47Å; W151-W228 AromaticContact CH2-NE1 3.83Å; W151-W228 HydrophobicContact CZ3-CB 3.49Å; W151-W228 VanDerWaalsContact CZ3-CB 3.49Å; W151-W228 AromaticContact CZ3-CD1 3.38Å; W151-W228 AromaticContact CZ3-CD2 3.69Å; W151-W228 HydrophobicContact CZ3-CD2 3.69Å; W151-W228 HydrophobicContact CZ3-CE3 4.43Å; W151-W228 AromaticContact CZ3-CG 3.21Å; W151-W228 HydrophobicContact CZ3-CG 3.21Å; W151-W228 AromaticContact CZ3-NE1 3.87Å; Q224-W228 PolarHBondContact O-N 3.15Å; F225-W228 HydrophobicContact CD2-CE3 4.48Å; F225-W228 HydrophobicContact CE2-CE3 4.26Å; F225-W228 HydrophobicContact CE2-CZ3 4.35Å; F225-W228 PolarHBondContact O-N 3.31Å; W228-Q230 VanDerWaalsContact C-N 3.32Å; W228-Q230 PolarHBondContact O-N 2.85Å; W228-D231 PolarHBondContact O-N 2.8Å; W228-N232 HydrophobicContact CZ2-CB 4.36Å; W228-N232 PolarHBondContact NE1-ND2 3.12Å; W228-N232 WeakPolarHBondContact O-CB 3.47Å; W228-N232 PolarHBondContact O-N 2.55Å; W228-N232 PolarHBondContact O-ND2 3.36Å; W228-V236 HydrophobicContact CH2-CG2 4.13Å; W228-V236 HydrophobicContact CZ3-CG2 4.28Å |
| 229 | L | 93.5 | Very high | 95.3 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 178.3 | -178 | 63.1 | 0 | 0 | 0 | 111.4 | F225 E226 K227 N232 L233 V236 | F225-L229 WeakPolarHBondContact O-CB 3.25Å; F225-L229 PolarHBondContact O-N 3.31Å; E226-L229 PolarHBondContact O-N 2.8Å; K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L229 PolarHBondContact O-N 2.04Å; L229-N232 CarbonylContact O-C 3.57Å; L229-L233 VanDerWaalsContact O-CA 3.25Å; L229-L233 WeakPolarHBondContact O-CA 3.21Å; L229-L233 WeakPolarHBondContact O-CB 3.29Å; L229-L233 PolarHBondContact O-N 2.96Å; L229-V236 HydrophobicContact CD1-CB 4.36Å; L229-V236 HydrophobicContact CD1-CG1 4.18Å; L229-V236 HydrophobicContact CD1-CG2 3.97Å |
| 230 | Q | 93.6 | Very high | 95.2 | Very high | 121 Ų | 121 | 68 Ų | 68 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.1 | -46.9 | 175 | -71.4 | 174.9 | -1.4 | 0 | 0 | 111.8 | E226 K227 W228 N232 L233 | E226-Q230 WeakPolarHBondContact O-CG 3.48Å; E226-Q230 PolarHBondContact O-N 3.25Å; E226-Q230 PolarHBondContact OE1-NE2 2.98Å; K227-Q230 PolarHBondContact O-N 2.92Å; W228-Q230 VanDerWaalsContact C-N 3.32Å; W228-Q230 PolarHBondContact O-N 2.85Å; Q230-N232 VanDerWaalsContact C-N 3.27Å; Q230-N232 PolarHBondContact O-N 2.96Å; Q230-L233 PolarHBondContact O-N 3.27Å |
| 231 | D | 95.8 | Very high | 95.2 | Very high | 112 Ų | 112 | 73 Ų | 73 | 60% | 0.599 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66 | -30.3 | -179.5 | -69.8 | -17.9 | 0 | 0 | 0 | 111.8 | K227 W228 | K227-D231 VanDerWaalsContact CE-OD2 3.31Å; K227-D231 WeakPolarHBondContact CE-OD2 3.43Å; K227-D231 WeakPolarHBondContact O-CB 3.23Å; K227-D231 VanDerWaalsContact O-CG 3.32Å; K227-D231 PolarHBondContact O-N 3.22Å; W228-D231 PolarHBondContact O-N 2.8Å |
| 232 | N | 96.2 | Very high | 95.2 | Very high | 46 Ų | 46 | 74.3 Ų | 74.3 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 15.9 | -177.7 | -63.5 | -88.4 | 0 | 0 | 0 | 113.9 | W228 L229 Q230 T234 I235 V236 | W228-N232 HydrophobicContact CZ2-CB 4.36Å; W228-N232 PolarHBondContact NE1-ND2 3.12Å; W228-N232 WeakPolarHBondContact O-CB 3.47Å; W228-N232 PolarHBondContact O-N 2.55Å; W228-N232 PolarHBondContact O-ND2 3.36Å; L229-N232 CarbonylContact O-C 3.57Å; Q230-N232 VanDerWaalsContact C-N 3.27Å; Q230-N232 PolarHBondContact O-N 2.96Å; N232-T234 PolarHBondContact O-N 3.34Å; N232-T234 VanDerWaalsContact O-N 3.14Å; N232-I235 WeakPolarHBondContact O-CB 3.2Å; N232-I235 PolarHBondContact O-N 3.13Å; N232-V236 PolarHBondContact O-N 3.31Å |
| 233 | L | 94.1 | Very high | 95.2 | Very high | 102 Ų | 102 | 77.4 Ų | 77.4 | 53% | 0.534 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -54.6 | -39.9 | -173.9 | -177.2 | 63.4 | 0 | 0 | 0 | 112.6 | L229 Q230 I235 V236 A237 | L229-L233 VanDerWaalsContact O-CA 3.25Å; L229-L233 WeakPolarHBondContact O-CA 3.21Å; L229-L233 WeakPolarHBondContact O-CB 3.29Å; L229-L233 PolarHBondContact O-N 2.96Å; Q230-L233 PolarHBondContact O-N 3.27Å; L233-I235 VanDerWaalsContact C-N 3.33Å; L233-I235 PolarHBondContact O-N 2.98Å; L233-V236 PolarHBondContact O-N 2.97Å; L233-A237 VanDerWaalsContact O-CB 3.27Å; L233-A237 WeakPolarHBondContact O-CB 2.91Å; L233-A237 PolarHBondContact O-N 2.72Å |
| 234 | T | 95.4 | Very high | 95.2 | Very high | 125 Ų | 125 | 76.5 Ų | 76.5 | 77% | 0.767 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 178 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | N232 G238 | N232-T234 PolarHBondContact O-N 3.34Å; N232-T234 VanDerWaalsContact O-N 3.14Å; T234-G238 PolarHBondContact O-N 3.14Å |
| 235 | I | 96.6 | Very high | 95.3 | Very high | 104 Ų | 104 | 79.9 Ų | 79.9 | 53% | 0.533 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69 | -47.8 | 179.3 | -63.6 | 171.3 | 0 | 0 | 0 | 109.3 | N232 L233 G238 I239 | N232-I235 WeakPolarHBondContact O-CB 3.2Å; N232-I235 PolarHBondContact O-N 3.13Å; L233-I235 VanDerWaalsContact C-N 3.33Å; L233-I235 PolarHBondContact O-N 2.98Å; I235-G238 PolarHBondContact O-N 3.35Å; I235-I239 HydrophobicContact CG2-CD1 4.14Å; I235-I239 WeakPolarHBondContact O-CG1 2.96Å; I235-I239 PolarHBondContact O-N 2.8Å |
| 236 | V | 94.5 | Very high | 95.3 | Very high | 28 Ų | 28 | 79.3 Ų | 79.3 | 17% | 0.17 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.6 | -50.4 | 179.1 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | W228 L229 N232 L233 G238 I239 F240 | W228-V236 HydrophobicContact CH2-CG2 4.13Å; W228-V236 HydrophobicContact CZ3-CG2 4.28Å; L229-V236 HydrophobicContact CD1-CB 4.36Å; L229-V236 HydrophobicContact CD1-CG1 4.18Å; L229-V236 HydrophobicContact CD1-CG2 3.97Å; N232-V236 PolarHBondContact O-N 3.31Å; L233-V236 PolarHBondContact O-N 2.97Å; V236-G238 VanDerWaalsContact C-N 3.29Å; V236-G238 PolarHBondContact O-N 3.43Å; V236-I239 PolarHBondContact O-N 2.87Å; V236-I239 VanDerWaalsContact O-N 3.15Å; V236-F240 HydrophobicContact CG1-CD2 3.96Å; V236-F240 HydrophobicContact CG1-CE2 3.85Å; V236-F240 WeakPolarHBondContact O-CD2 3.03Å; V236-F240 PolarHBondContact O-N 2.92Å; V236-F240 VanDerWaalsContact O-N 3.13Å |
| 237 | A | 94.1 | Very high | 95.4 | Very high | 41 Ų | 41 | 77.1 Ų | 77.1 | 34% | 0.339 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L233 I239 F240 I241 | L233-A237 VanDerWaalsContact O-CB 3.27Å; L233-A237 WeakPolarHBondContact O-CB 2.91Å; L233-A237 PolarHBondContact O-N 2.72Å; A237-I239 VanDerWaalsContact C-N 3.34Å; A237-I239 PolarHBondContact O-N 3.18Å; A237-F240 PolarHBondContact O-N 3.07Å; A237-I241 VanDerWaalsContact O-CG1 3.29Å; A237-I241 WeakPolarHBondContact O-CG1 3.26Å; A237-I241 PolarHBondContact O-N 3.29Å |
| 238 | G | 96.3 | Very high | 95.5 | Very high | 40 Ų | 40 | 75.9 Ų | 75.9 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T234 I235 V236 G242 | T234-G238 PolarHBondContact O-N 3.14Å; I235-G238 PolarHBondContact O-N 3.35Å; V236-G238 VanDerWaalsContact C-N 3.29Å; V236-G238 PolarHBondContact O-N 3.43Å; G238-G242 PolarHBondContact O-N 3.3Å |
| 239 | I | 96 | Very high | 95.5 | Very high | 98 Ų | 98 | 76 Ų | 76 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.4 | -48.9 | 175.7 | -67.2 | 165.6 | 0 | 0 | 0 | 110.5 | I235 V236 A237 I241 G242 I243 | I235-I239 HydrophobicContact CG2-CD1 4.14Å; I235-I239 WeakPolarHBondContact O-CG1 2.96Å; I235-I239 PolarHBondContact O-N 2.8Å; V236-I239 PolarHBondContact O-N 2.87Å; V236-I239 VanDerWaalsContact O-N 3.15Å; A237-I239 VanDerWaalsContact C-N 3.34Å; A237-I239 PolarHBondContact O-N 3.18Å; I239-I241 PolarHBondContact O-N 2.85Å; I239-G242 PolarHBondContact O-N 3.1Å; I239-I243 HydrophobicContact CG2-CD1 3.89Å; I239-I243 WeakPolarHBondContact O-CG1 3.38Å; I239-I243 PolarHBondContact O-N 3.09Å |
| 240 | F | 95.1 | Very high | 95.6 | Very high | 113 Ų | 113 | 73.2 Ų | 73.2 | 50% | 0.496 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 178.3 | -84.7 | -82.5 | 0 | 0 | 0 | 112.3 | V236 A237 G242 I243 A244 | V236-F240 HydrophobicContact CG1-CD2 3.96Å; V236-F240 HydrophobicContact CG1-CE2 3.85Å; V236-F240 WeakPolarHBondContact O-CD2 3.03Å; V236-F240 PolarHBondContact O-N 2.92Å; V236-F240 VanDerWaalsContact O-N 3.13Å; A237-F240 PolarHBondContact O-N 3.07Å; F240-G242 VanDerWaalsContact C-N 3.34Å; F240-I243 PolarHBondContact O-N 3.39Å; F240-A244 WeakPolarHBondContact O-CB 3.31Å; F240-A244 PolarHBondContact O-N 3.43Å |
| 241 | I | 96.1 | Very high | 95.8 | Very high | 103 Ų | 103 | 69.2 Ų | 69.2 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.7 | -67.6 | 167.5 | 0 | 0 | 0 | 110.7 | A237 I239 A244 L245 | A237-I241 VanDerWaalsContact O-CG1 3.29Å; A237-I241 WeakPolarHBondContact O-CG1 3.26Å; A237-I241 PolarHBondContact O-N 3.29Å; I239-I241 PolarHBondContact O-N 2.85Å; I241-A244 PolarHBondContact O-N 2.9Å; I241-L245 HydrophobicContact CG2-CD1 3.97Å; I241-L245 HydrophobicContact CG2-CG 4.26Å; I241-L245 WeakPolarHBondContact O-CB 3.42Å; I241-L245 VanDerWaalsContact O-CG 3.31Å; I241-L245 WeakPolarHBondContact O-CG 3.25Å; I241-L245 PolarHBondContact O-N 3.3Å |
| 242 | G | 97 | Very high | 95.8 | Very high | 37 Ų | 37 | 66.8 Ų | 66.8 | 38% | 0.381 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G238 I239 F240 L245 L246 | G238-G242 PolarHBondContact O-N 3.3Å; I239-G242 PolarHBondContact O-N 3.1Å; F240-G242 VanDerWaalsContact C-N 3.34Å; G242-L245 PolarHBondContact O-N 3.34Å; G242-L246 WeakPolarHBondContact O-CB 3.26Å; G242-L246 PolarHBondContact O-N 2.69Å |
| 243 | I | 95.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 65.6 Ų | 65.6 | 35% | 0.349 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 175.4 | -65.2 | 168.2 | 0 | 0 | 0 | 110 | E105 I239 F240 L245 L246 Q247 | E105-I243 VanDerWaalsContact OE2-CG2 3.29Å; E105-I243 WeakPolarHBondContact OE2-CG2 3.41Å; I239-I243 HydrophobicContact CG2-CD1 3.89Å; I239-I243 WeakPolarHBondContact O-CG1 3.38Å; I239-I243 PolarHBondContact O-N 3.09Å; F240-I243 PolarHBondContact O-N 3.39Å; I243-L245 PolarHBondContact O-N 2.83Å; I243-L246 WeakPolarHBondContact O-CB 3.25Å; I243-L246 PolarHBondContact O-N 3.05Å; I243-L246 VanDerWaalsContact O-N 3.11Å; I243-Q247 HydrophobicContact CG2-CG 4.44Å; I243-Q247 VanDerWaalsContact O-CG 3.31Å; I243-Q247 WeakPolarHBondContact O-CG 3.33Å; I243-Q247 PolarHBondContact O-N 2.91Å |
| 244 | A | 96.7 | Very high | 95.8 | Very high | 25 Ų | 25 | 60.8 Ų | 60.8 | 21% | 0.207 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F102 F240 I241 Q247 I248 | F102-A244 HydrophobicContact CD2-CB 4.33Å; F102-A244 HydrophobicContact CE2-CB 3.97Å; F240-A244 WeakPolarHBondContact O-CB 3.31Å; F240-A244 PolarHBondContact O-N 3.43Å; I241-A244 PolarHBondContact O-N 2.9Å; A244-Q247 PolarHBondContact O-N 3.11Å; A244-I248 WeakPolarHBondContact O-CG1 3.45Å; A244-I248 PolarHBondContact O-N 2.97Å |
| 245 | L | 96.5 | Very high | 95.8 | Very high | 108 Ų | 108 | 58.1 Ų | 58.1 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.9 | -39.6 | 176.2 | -72.3 | 176 | 0 | 0 | 0 | 112 | I241 G242 I243 Q247 I248 F249 | I241-L245 HydrophobicContact CG2-CD1 3.97Å; I241-L245 HydrophobicContact CG2-CG 4.26Å; I241-L245 WeakPolarHBondContact O-CB 3.42Å; I241-L245 VanDerWaalsContact O-CG 3.31Å; I241-L245 WeakPolarHBondContact O-CG 3.25Å; I241-L245 PolarHBondContact O-N 3.3Å; G242-L245 PolarHBondContact O-N 3.34Å; I243-L245 PolarHBondContact O-N 2.83Å; L245-Q247 VanDerWaalsContact C-N 3.29Å; L245-Q247 PolarHBondContact O-N 2.83Å; L245-I248 PolarHBondContact O-N 2.05Å; L245-F249 VanDerWaalsContact O-CB 3.27Å; L245-F249 WeakPolarHBondContact O-CB 3.35Å; L245-F249 PolarHBondContact O-N 2.94Å |
| 246 | L | 95.1 | Very high | 95.7 | Very high | 70 Ų | 70 | 57.1 Ų | 57.1 | 37% | 0.366 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 177.4 | -168.8 | 61.8 | 0 | 0 | 0 | 111.6 | F22 F26 G242 I243 G250 | F22-L246 HydrophobicContact CE2-CD1 3.54Å; F22-L246 HydrophobicContact CE2-CD2 4.05Å; F22-L246 HydrophobicContact CE2-CG 4.02Å; F22-L246 HydrophobicContact CZ-CD1 3.52Å; F22-L246 HydrophobicContact CZ-CD2 3.67Å; F22-L246 HydrophobicContact CZ-CG 3.52Å; F26-L246 HydrophobicContact CZ-CD2 3.94Å; G242-L246 WeakPolarHBondContact O-CB 3.26Å; G242-L246 PolarHBondContact O-N 2.69Å; I243-L246 WeakPolarHBondContact O-CB 3.25Å; I243-L246 PolarHBondContact O-N 3.05Å; I243-L246 VanDerWaalsContact O-N 3.11Å; L246-G250 PolarHBondContact O-N 2.04Å |
| 247 | Q | 96.4 | Very high | 95.7 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -49.4 | 176.6 | -69.7 | 176.1 | -18.5 | 0 | 0 | 112.4 | L98 F102 E105 I243 A244 L245 F249 G250 I251 | L98-Q247 VanDerWaalsContact CD2-CA 3.47Å; L98-Q247 HydrophobicContact CD2-CB 3.28Å; L98-Q247 HydrophobicContact CD2-CG 3.44Å; L98-Q247 VanDerWaalsContact CD2-CG 3.44Å; F102-Q247 VanDerWaalsContact CB-OE1 3.29Å; F102-Q247 HydrophobicContact CD2-CB 4.43Å; E105-Q247 PolarHBondContact OE1-NE2 2.98Å; E105-Q247 PolarHBondContact OE2-NE2 2.9Å; E105-Q247 PolarHBondContact OE2-OE1 3.41Å; I243-Q247 HydrophobicContact CG2-CG 4.44Å; I243-Q247 VanDerWaalsContact O-CG 3.31Å; I243-Q247 WeakPolarHBondContact O-CG 3.33Å; I243-Q247 PolarHBondContact O-N 2.91Å; A244-Q247 PolarHBondContact O-N 3.11Å; L245-Q247 VanDerWaalsContact C-N 3.29Å; L245-Q247 PolarHBondContact O-N 2.83Å; Q247-F249 VanDerWaalsContact C-N 3.26Å; Q247-F249 PolarHBondContact O-N 3.15Å; Q247-G250 PolarHBondContact O-N 3.06Å; Q247-I251 VanDerWaalsContact O-CG1 3.3Å; Q247-I251 WeakPolarHBondContact O-CG1 3.05Å; Q247-I251 PolarHBondContact O-N 2.96Å |
| 248 | I | 96.6 | Very high | 95.7 | Very high | 73 Ų | 73 | 54 Ų | 54 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.8 | -44.7 | 175.8 | -68.2 | 167 | 0 | 0 | 0 | 110 | F102 A244 L245 I251 C252 | F102-I248 HydrophobicContact CD2-CG1 4.22Å; F102-I248 HydrophobicContact CE2-CD1 3.74Å; F102-I248 HydrophobicContact CE2-CG1 3.85Å; F102-I248 HydrophobicContact CZ-CD1 4.06Å; F102-I248 HydrophobicContact CZ-CG1 4.32Å; A244-I248 WeakPolarHBondContact O-CG1 3.45Å; A244-I248 PolarHBondContact O-N 2.97Å; L245-I248 PolarHBondContact O-N 2.05Å; I248-I251 PolarHBondContact O-N 2.84Å; I248-C252 WeakPolarHBondContact O-CB 3.47Å; I248-C252 PolarHBondContact O-N 3.16Å; I248-C252 PolarHBondContact O-SG 2.87Å |
| 249 | F | 94.9 | Very high | 95.6 | Very high | 97 Ų | 97 | 55.1 Ų | 55.1 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 178 | -176.4 | -121.1 | 0 | 0 | 0 | 112.2 | F18 L245 Q247 I251 C252 L253 | F18-F249 HydrophobicContact CD1-CE1 4.44Å; F18-F249 HydrophobicContact CE1-CD1 4.45Å; F18-F249 AromaticContact CE1-CE1 3.4Å; F18-F249 HydrophobicContact CE1-CE1 3.4Å; F18-F249 VanDerWaalsContact CE1-CE1 3.4Å; F18-F249 AromaticContact CE1-CZ 3.89Å; F18-F249 HydrophobicContact CE1-CZ 3.89Å; F18-F249 AromaticContact CZ-CE1 3.76Å; F18-F249 HydrophobicContact CZ-CE1 3.76Å; F18-F249 HydrophobicContact CZ-CZ 4.2Å; L245-F249 VanDerWaalsContact O-CB 3.27Å; L245-F249 WeakPolarHBondContact O-CB 3.35Å; L245-F249 PolarHBondContact O-N 2.94Å; Q247-F249 VanDerWaalsContact C-N 3.26Å; Q247-F249 PolarHBondContact O-N 3.15Å; F249-I251 VanDerWaalsContact C-N 3.34Å; F249-I251 PolarHBondContact O-N 3.25Å; F249-C252 PolarHBondContact O-N 2.79Å; F249-L253 HydrophobicContact CD1-CD1 3.97Å; F249-L253 HydrophobicContact CD2-CD1 4.46Å; F249-L253 HydrophobicContact CD2-CG 4.36Å; F249-L253 HydrophobicContact CE1-CD1 3.6Å; F249-L253 HydrophobicContact CE1-CG 4.44Å; F249-L253 HydrophobicContact CE2-CD1 4.09Å; F249-L253 HydrophobicContact CE2-CD2 4.21Å; F249-L253 HydrophobicContact CE2-CG 4.09Å; F249-L253 HydrophobicContact CG-CD1 4.4Å; F249-L253 HydrophobicContact CZ-CD1 3.64Å; F249-L253 HydrophobicContact CZ-CD2 4.28Å; F249-L253 HydrophobicContact CZ-CG 4.14Å; F249-L253 VanDerWaalsContact O-CG 3.31Å; F249-L253 WeakPolarHBondContact O-CG 3.42Å; F249-L253 PolarHBondContact O-N 3.08Å |
| 250 | G | 95.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L246 Q247 A254 | L246-G250 PolarHBondContact O-N 2.04Å; Q247-G250 PolarHBondContact O-N 3.06Å; G250-A254 WeakPolarHBondContact O-CB 3.44Å; G250-A254 PolarHBondContact O-N 3.26Å |
| 251 | I | 96.6 | Very high | 95.4 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 19% | 0.185 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -51.9 | 174.9 | -69.9 | 163.1 | 0 | 0 | 0 | 110.5 | L98 Q247 I248 F249 L253 A254 Q255 | L98-I251 HydrophobicContact CB-CG1 4.1Å; L98-I251 HydrophobicContact CD1-CG1 4.37Å; L98-I251 HydrophobicContact CD2-CD1 4.16Å; L98-I251 HydrophobicContact CD2-CG1 4.16Å; L98-I251 HydrophobicContact CG-CG1 4.45Å; Q247-I251 VanDerWaalsContact O-CG1 3.3Å; Q247-I251 WeakPolarHBondContact O-CG1 3.05Å; Q247-I251 PolarHBondContact O-N 2.96Å; I248-I251 PolarHBondContact O-N 2.84Å; F249-I251 VanDerWaalsContact C-N 3.34Å; F249-I251 PolarHBondContact O-N 3.25Å; I251-L253 VanDerWaalsContact C-N 3.31Å; I251-L253 PolarHBondContact O-N 3.37Å; I251-A254 PolarHBondContact O-N 2Å; I251-Q255 HydrophobicContact CG2-CG 4.3Å; I251-Q255 VanDerWaalsContact O-CG 3.31Å; I251-Q255 WeakPolarHBondContact O-CG 3.41Å; I251-Q255 PolarHBondContact O-N 3.34Å |
| 252 | C | 95.8 | Very high | 95.2 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 179.8 | -72.3 | 0 | 0 | 0 | 0 | 111.7 | I248 F249 Q255 N256 | I248-C252 WeakPolarHBondContact O-CB 3.47Å; I248-C252 PolarHBondContact O-N 3.16Å; I248-C252 PolarHBondContact O-SG 2.87Å; F249-C252 PolarHBondContact O-N 2.79Å; C252-Q255 PolarHBondContact O-N 3.32Å; C252-N256 WeakPolarHBondContact O-CB 3.08Å; C252-N256 PolarHBondContact O-N 3.42Å; C252-N256 PolarHBondContact O-ND2 3.39Å |
| 253 | L | 94.8 | Very high | 95 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 177.7 | -70.4 | 177.9 | 0 | 0 | 0 | 112 | I15 F18 I19 F249 I251 Q255 N256 L257 | I15-L253 HydrophobicContact CG2-CD2 4.21Å; F18-L253 HydrophobicContact CD1-CD1 3.56Å; F18-L253 HydrophobicContact CE1-CD1 3.67Å; I19-L253 VanDerWaalsContact CD1-C 3.47Å; I19-L253 HydrophobicContact CD1-CB 3.68Å; I19-L253 VanDerWaalsContact CD1-O 3.31Å; I19-L253 WeakPolarHBondContact CD1-O 2.86Å; I19-L253 HydrophobicContact CG1-CB 3.62Å; I19-L253 HydrophobicContact CG1-CD1 4.1Å; I19-L253 HydrophobicContact CG1-CG 4.44Å; F249-L253 HydrophobicContact CD1-CD1 3.97Å; F249-L253 HydrophobicContact CD2-CD1 4.46Å; F249-L253 HydrophobicContact CD2-CG 4.36Å; F249-L253 HydrophobicContact CE1-CD1 3.6Å; F249-L253 HydrophobicContact CE1-CG 4.44Å; F249-L253 HydrophobicContact CE2-CD1 4.09Å; F249-L253 HydrophobicContact CE2-CD2 4.21Å; F249-L253 HydrophobicContact CE2-CG 4.09Å; F249-L253 HydrophobicContact CG-CD1 4.4Å; F249-L253 HydrophobicContact CZ-CD1 3.64Å; F249-L253 HydrophobicContact CZ-CD2 4.28Å; F249-L253 HydrophobicContact CZ-CG 4.14Å; F249-L253 VanDerWaalsContact O-CG 3.31Å; F249-L253 WeakPolarHBondContact O-CG 3.42Å; F249-L253 PolarHBondContact O-N 3.08Å; I251-L253 VanDerWaalsContact C-N 3.31Å; I251-L253 PolarHBondContact O-N 3.37Å; L253-Q255 PolarHBondContact O-N 3.3Å; L253-N256 PolarHBondContact O-N 3.23Å; L253-L257 WeakPolarHBondContact O-CB 3.29Å; L253-L257 PolarHBondContact O-N 2.88Å |
| 254 | A | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | F94 G250 I251 L257 V258 | F94-A254 HydrophobicContact CD1-CB 3.82Å; F94-A254 HydrophobicContact CE1-CB 3.97Å; G250-A254 WeakPolarHBondContact O-CB 3.44Å; G250-A254 PolarHBondContact O-N 3.26Å; I251-A254 PolarHBondContact O-N 2Å; A254-L257 PolarHBondContact O-N 3.4Å; A254-V258 VanDerWaalsContact O-CG2 3.26Å; A254-V258 WeakPolarHBondContact O-CG2 3.46Å; A254-V258 PolarHBondContact O-N 3.31Å |
| 255 | Q | 95.6 | Very high | 94.4 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 178.6 | -66 | -61.6 | -25.5 | 0 | 0 | 112.7 | S95 I251 C252 L253 V258 S259 | S95-Q255 VanDerWaalsContact CB-NE2 3.27Å; S95-Q255 PolarHBondContact OG-NE2 2.94Å; I251-Q255 HydrophobicContact CG2-CG 4.3Å; I251-Q255 VanDerWaalsContact O-CG 3.31Å; I251-Q255 WeakPolarHBondContact O-CG 3.41Å; I251-Q255 PolarHBondContact O-N 3.34Å; C252-Q255 PolarHBondContact O-N 3.32Å; L253-Q255 PolarHBondContact O-N 3.3Å; Q255-V258 PolarHBondContact O-N 3.05Å; Q255-S259 WeakPolarHBondContact O-CB 3.32Å; Q255-S259 PolarHBondContact O-N 3.43Å; Q255-S259 PolarHBondContact O-OG 3.42Å |
| 256 | N | 94.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 173 | -73 | -14.6 | 0 | 0 | 0 | 110.5 | C252 L253 V258 S259 D260 | C252-N256 WeakPolarHBondContact O-CB 3.08Å; C252-N256 PolarHBondContact O-N 3.42Å; C252-N256 PolarHBondContact O-ND2 3.39Å; L253-N256 PolarHBondContact O-N 3.23Å; N256-V258 VanDerWaalsContact C-N 3.35Å; N256-V258 PolarHBondContact O-N 3.01Å; N256-S259 PolarHBondContact O-N 3.32Å; N256-D260 PolarHBondContact O-N 3.15Å |
| 257 | L | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.7 | -178.9 | 58.7 | 0 | 0 | 0 | 111.9 | V11 I15 K16 I19 A83 L91 L253 A254 S259 D260 I261 | V11-L257 HydrophobicContact CG1-CD1 3.41Å; V11-L257 VanDerWaalsContact CG1-CD1 3.41Å; I15-L257 HydrophobicContact CG2-CB 4.26Å; K16-L257 HydrophobicContact CB-CD1 4.39Å; I19-L257 HydrophobicContact CD1-CB 3.93Å; I19-L257 HydrophobicContact CD1-CD2 3.83Å; A83-L257 HydrophobicContact CB-CD2 4.09Å; L91-L257 HydrophobicContact CD1-CB 4.42Å; L91-L257 HydrophobicContact CD1-CD2 3.71Å; L91-L257 HydrophobicContact CD1-CG 3.81Å; L91-L257 HydrophobicContact CD2-CD2 4.13Å; L253-L257 WeakPolarHBondContact O-CB 3.29Å; L253-L257 PolarHBondContact O-N 2.88Å; A254-L257 PolarHBondContact O-N 3.4Å; L257-S259 VanDerWaalsContact C-N 3.35Å; L257-D260 PolarHBondContact O-N 2.86Å; L257-I261 HydrophobicContact CD1-CD1 4.08Å; L257-I261 HydrophobicContact CD1-CG1 4.31Å; L257-I261 HydrophobicContact CG-CD1 3.9Å; L257-I261 WeakPolarHBondContact O-CD1 3.39Å; L257-I261 WeakPolarHBondContact O-CG1 3.34Å; L257-I261 PolarHBondContact O-N 3.35Å |
| 258 | V | 95.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.2 | 167.3 | 0 | 0 | 0 | 0 | 111.3 | T88 L91 K92 A254 Q255 N256 I261 E262 | T88-V258 HydrophobicContact CG2-CG1 4.39Å; L91-V258 HydrophobicContact CB-CG2 3.44Å; L91-V258 VanDerWaalsContact CB-CG2 3.44Å; L91-V258 HydrophobicContact CD1-CG2 3.99Å; L91-V258 HydrophobicContact CG-CG2 4.37Å; K92-V258 VanDerWaalsContact CE-CG1 3.46Å; K92-V258 HydrophobicContact CG-CG1 4.31Å; K92-V258 HydrophobicContact CG-CG2 4.28Å; A254-V258 VanDerWaalsContact O-CG2 3.26Å; A254-V258 WeakPolarHBondContact O-CG2 3.46Å; A254-V258 PolarHBondContact O-N 3.31Å; Q255-V258 PolarHBondContact O-N 3.05Å; N256-V258 VanDerWaalsContact C-N 3.35Å; N256-V258 PolarHBondContact O-N 3.01Å; V258-I261 PolarHBondContact O-N 2.88Å; V258-E262 HydrophobicContact CG1-CG 4.5Å; V258-E262 WeakPolarHBondContact O-CG 3.39Å; V258-E262 PolarHBondContact O-N 2.9Å |
| 259 | S | 94 | Very high | 92.5 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 179.9 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | Q255 N256 L257 E262 A263 | Q255-S259 WeakPolarHBondContact O-CB 3.32Å; Q255-S259 PolarHBondContact O-N 3.43Å; Q255-S259 PolarHBondContact O-OG 3.42Å; N256-S259 PolarHBondContact O-N 3.32Å; L257-S259 VanDerWaalsContact C-N 3.35Å; S259-E262 PolarHBondContact O-N 2.92Å; S259-A263 WeakPolarHBondContact O-CB 3.31Å; S259-A263 PolarHBondContact O-N 3.41Å |
| 260 | D | 92.9 | Very high | 92.4 | Very high | 46 Ų | 46 | 60.3 Ų | 60.3 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 175.7 | -75.3 | -3.8 | 0 | 0 | 0 | 111.3 | V11 S12 N256 L257 E262 A263 V264 | V11-D260 HydrophobicContact CG2-CB 4.42Å; S12-D260 PolarHBondContact N-OD2 3Å; N256-D260 PolarHBondContact O-N 3.15Å; L257-D260 PolarHBondContact O-N 2.86Å; D260-E262 PolarHBondContact O-N 2.93Å; D260-A263 PolarHBondContact O-N 3.24Å; D260-V264 WeakPolarHBondContact O-CG2 3.41Å; D260-V264 PolarHBondContact O-N 3.49Å |
| 261 | I | 92.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 179.5 | -65.9 | 160.7 | 0 | 0 | 0 | 111 | V11 E86 T88 L91 L257 V258 V264 R265 | V11-I261 HydrophobicContact CG2-CG1 4.17Å; E86-I261 HydrophobicContact CB-CD1 3.75Å; E86-I261 HydrophobicContact CB-CG1 4.04Å; E86-I261 HydrophobicContact CG-CD1 4.12Å; E86-I261 HydrophobicContact CG-CG1 4.27Å; T88-I261 HydrophobicContact CG2-CB 3.89Å; T88-I261 HydrophobicContact CG2-CD1 4.3Å; T88-I261 HydrophobicContact CG2-CG2 3.53Å; L91-I261 HydrophobicContact CD1-CD1 3.77Å; L257-I261 HydrophobicContact CD1-CD1 4.08Å; L257-I261 HydrophobicContact CD1-CG1 4.31Å; L257-I261 HydrophobicContact CG-CD1 3.9Å; L257-I261 WeakPolarHBondContact O-CD1 3.39Å; L257-I261 WeakPolarHBondContact O-CG1 3.34Å; L257-I261 PolarHBondContact O-N 3.35Å; V258-I261 PolarHBondContact O-N 2.88Å; I261-V264 PolarHBondContact O-N 3.05Å; I261-R265 WeakPolarHBondContact O-CB 3.41Å; I261-R265 PolarHBondContact O-N 3.05Å |
| 262 | E | 93.6 | Very high | 92 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 177.9 | -73 | -179.6 | 177.4 | 0 | 0 | 111.9 | T88 K92 V258 S259 D260 R265 A266 | T88-E262 HydrophobicContact CG2-CG 4.28Å; K92-E262 WeakPolarHBondContact CE-OE1 3.44Å; K92-E262 IonicContact NZ-OE1 2.7Å; K92-E262 PolarHBondContact NZ-OE1 3.31Å; V258-E262 HydrophobicContact CG1-CG 4.5Å; V258-E262 WeakPolarHBondContact O-CG 3.39Å; V258-E262 PolarHBondContact O-N 2.9Å; S259-E262 PolarHBondContact O-N 2.92Å; D260-E262 PolarHBondContact O-N 2.93Å; E262-R265 PolarHBondContact O-N 3.11Å; E262-A266 WeakPolarHBondContact O-CB 3.32Å; E262-A266 PolarHBondContact O-N 3.37Å |
| 263 | A | 91.6 | Very high | 91.7 | Very high | 42 Ų | 42 | 65.1 Ų | 65.1 | 35% | 0.347 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P9 S259 D260 A266 S267 | P9-A263 HydrophobicContact CB-CB 3.68Å; P9-A263 HydrophobicContact CG-CB 4.18Å; P9-A263 WeakPolarHBondContact CG-O 3.38Å; S259-A263 WeakPolarHBondContact O-CB 3.31Å; S259-A263 PolarHBondContact O-N 3.41Å; D260-A263 PolarHBondContact O-N 3.24Å; A263-A266 PolarHBondContact O-N 2.95Å; A263-S267 PolarHBondContact O-N 2.82Å |
| 264 | V | 90.7 | Very high | 91.5 | Very high | 32 Ų | 32 | 68 Ų | 68 | 19% | 0.194 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 172.5 | 172.3 | 0 | 0 | 0 | 0 | 109.8 | P9 V11 D260 I261 A266 S267 W268 | P9-V264 HydrophobicContact CB-CG2 4.2Å; P9-V264 VanDerWaalsContact O-CG2 3.29Å; P9-V264 WeakPolarHBondContact O-CG2 3.5Å; V11-V264 HydrophobicContact CG2-CG2 4.02Å; D260-V264 WeakPolarHBondContact O-CG2 3.41Å; D260-V264 PolarHBondContact O-N 3.49Å; I261-V264 PolarHBondContact O-N 3.05Å; V264-A266 VanDerWaalsContact C-N 3.28Å; V264-A266 PolarHBondContact O-N 3.06Å; V264-S267 WeakPolarHBondContact O-CB 3.46Å; V264-S267 PolarHBondContact O-N 3.26Å; V264-S267 PolarHBondContact O-OG 3.2Å; V264-W268 PolarHBondContact O-NE1 2.91Å |
| 265 | R | 89.9 | Confident | 91.2 | Very high | 166 Ų | 166 | 72.9 Ų | 72.9 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.3 | -37.8 | 179.1 | -107.4 | -177.5 | -177.5 | 167.6 | 3.3 | 113.7 | I261 E262 S267 W268 | I261-R265 WeakPolarHBondContact O-CB 3.41Å; I261-R265 PolarHBondContact O-N 3.05Å; E262-R265 PolarHBondContact O-N 3.11Å; R265-S267 PolarHBondContact O-N 3.08Å; R265-W268 PolarHBondContact O-N 3.14Å |
| 266 | A | 90 | Very high | 90.9 | Very high | 85 Ų | 85 | 73.1 Ų | 73.1 | 70% | 0.702 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -72 | -14.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E262 A263 V264 | E262-A266 WeakPolarHBondContact O-CB 3.32Å; E262-A266 PolarHBondContact O-N 3.37Å; A263-A266 PolarHBondContact O-N 2.95Å; V264-A266 VanDerWaalsContact C-N 3.28Å; V264-A266 PolarHBondContact O-N 3.06Å |
| 267 | S | 84.5 | Confident | 90.6 | Very high | 75 Ų | 75 | 72.3 Ų | 72.3 | 52% | 0.524 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -7 | 177.3 | 73 | 0 | 0 | 0 | 0 | 114.4 | A263 V264 R265 | A263-S267 PolarHBondContact O-N 2.82Å; V264-S267 WeakPolarHBondContact O-CB 3.46Å; V264-S267 PolarHBondContact O-N 3.26Å; V264-S267 PolarHBondContact O-OG 3.2Å; R265-S267 PolarHBondContact O-N 3.08Å |
| 268 | W | 77.7 | Confident | 90.3 | Very high | 264 Ų | 264 | 78.9 Ų | 78.9 | 100% | 1 | 41% | 0.412 | S | S | * | . | trans | -97.7 | 0 | 174.3 | -61.2 | 92.1 | 0 | 0 | 0 | 111.1 | V264 R265 | V264-W268 PolarHBondContact O-NE1 2.91Å; R265-W268 PolarHBondContact O-N 3.14Å |
Retrieved 268 of 268 residues in 77.6 ms
(Link to these results)