| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 56.1 | Low | 227 Ų | 227 | 113.2 Ų | 113.2 | 100% | 1.118 | 64% | 0.639 | S | S | * | * | 0 | 113.4 | 0 | -64.2 | -176.1 | 176.4 | 0 | 0 | 106.9 | I3 | M1-I3 PolarHBondContact O-N 2.81Å; M1-I3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | P | 44.9 | Very low | 58.9 | Low | 129 Ų | 129 | 108.3 Ų | 108.3 | 84% | 0.838 | 61% | 0.605 | S | S | * | * | trans | -74.1 | 111.7 | 171.5 | 30.8 | -25.7 | 0 | 0 | 0 | 106.2 | V4 | P2-V4 PolarHBondContact O-N 3.17Å; P2-V4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | I | 43.3 | Very low | 61.3 | Low | 147 Ų | 147 | 110.5 Ų | 110.5 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | trans | -61.8 | 113.3 | 167.1 | -66.9 | 161.6 | 0 | 0 | 0 | 104.7 | M1 V5 | M1-I3 PolarHBondContact O-N 2.81Å; M1-I3 VanDerWaalsContact O-N 3.17Å; I3-V5 HydrophobicContact CG2-CG2 4.41Å; I3-V5 PolarHBondContact O-N 3.14Å | ||
| 4 | V | 49 | Very low | 63.6 | Low | 90 Ų | 90 | 104.6 Ų | 104.6 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | trans | -61 | 94.9 | 168.9 | 179.1 | 0 | 0 | 0 | 0 | 105.3 | P2 V6 L62 | P2-V4 PolarHBondContact O-N 3.17Å; P2-V4 VanDerWaalsContact O-N 3.14Å; V4-V6 HydrophobicContact CG1-CG2 3.74Å; V4-V6 PolarHBondContact O-N 2.84Å; V4-L62 HydrophobicContact CG1-CD2 4.42Å | ||
| 5 | V | 44 | Very low | 65.6 | Low | 103 Ų | 103 | 98.1 Ų | 98.1 | 62% | 0.624 | 53% | 0.532 | S | S | * | . | trans | -69.4 | 88.5 | 170.7 | -179.7 | 0 | 0 | 0 | 0 | 105 | I3 H7 | I3-V5 HydrophobicContact CG2-CG2 4.41Å; I3-V5 PolarHBondContact O-N 3.14Å; V5-H7 HydrophobicContact CG1-CB 3.94Å; V5-H7 VanDerWaalsContact CG1-ND1 3.3Å; V5-H7 WeakPolarHBondContact CG1-ND1 3.3Å; V5-H7 PolarHBondContact O-N 2.78Å | ||
| 6 | V | 47.5 | Very low | 67.4 | Low | 94 Ų | 94 | 95.5 Ų | 95.5 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | trans | -68.4 | 61 | 164.9 | -172.9 | 0 | 0 | 0 | 0 | 107.1 | V4 S8 | V4-V6 HydrophobicContact CG1-CG2 3.74Å; V4-V6 PolarHBondContact O-N 2.84Å; V6-S8 PolarHBondContact O-N 3.31Å | ||
| 7 | H | 44.9 | Very low | 69 | Low | 156 Ų | 156 | 93 Ų | 93 | 72% | 0.722 | 51% | 0.508 | S | S | * | . | trans | -72.4 | 113.9 | 162 | -109.5 | 61.9 | 0 | 0 | 0 | 105.6 | V5 N9 | V5-H7 HydrophobicContact CG1-CB 3.94Å; V5-H7 VanDerWaalsContact CG1-ND1 3.3Å; V5-H7 WeakPolarHBondContact CG1-ND1 3.3Å; V5-H7 PolarHBondContact O-N 2.78Å; H7-N9 PolarHBondContact O-N 2.65Å | ||
| 8 | S | 57.8 | Low | 70.4 | Confident | 103 Ų | 103 | 87.8 Ų | 87.8 | 72% | 0.72 | 48% | 0.479 | S | S | * | . | trans | -10.2 | 63.8 | 164.9 | -51 | 0 | 0 | 0 | 0 | 116.9 | V6 P10 | V6-S8 PolarHBondContact O-N 3.31Å; S8-P10 VanDerWaalsContact O-CD 3.27Å; S8-P10 WeakPolarHBondContact O-CD 3.27Å | ||
| 9 | N | 78.5 | Confident | 71.8 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 48% | 0.476 | 46% | 0.46 | S | S | . | . | trans | -85.1 | 110.8 | 175 | -169.9 | -10.8 | 0 | 0 | 0 | 106.6 | H7 L11 F12 W13 | H7-N9 PolarHBondContact O-N 2.65Å; N9-L11 PolarHBondContact O-N 3.43Å; N9-L11 VanDerWaalsContact O-N 3.08Å; N9-L11 WeakPolarHBondContact OD1-CB 3.2Å; N9-L11 PolarHBondContact OD1-N 3.16Å; N9-F12 HydrophobicContact CB-CB 4.35Å; N9-F12 WeakPolarHBondContact O-CB 3.3Å; N9-F12 PolarHBondContact O-N 3.18Å; N9-W13 PolarHBondContact O-N 3.49Å | ||
| 10 | P | 85.4 | Confident | 73 | Confident | 77 Ų | 77 | 83.6 Ų | 83.6 | 50% | 0.5 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -55.9 | -30 | -177.9 | 23 | -34.2 | 0 | 0 | 0 | 111.8 | S8 F12 W13 V14 | S8-P10 VanDerWaalsContact O-CD 3.27Å; S8-P10 WeakPolarHBondContact O-CD 3.27Å; P10-F12 PolarHBondContact O-N 3.25Å; P10-W13 PolarHBondContact O-N 3.02Å; P10-V14 VanDerWaalsContact O-CG2 3.3Å; P10-V14 WeakPolarHBondContact O-CG2 3.36Å; P10-V14 PolarHBondContact O-N 2.95Å |
| 11 | L | 87.5 | Confident | 74.1 | Confident | 30 Ų | 30 | 82 Ų | 82 | 16% | 0.157 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 177.5 | -171.7 | 65.1 | 0 | 0 | 0 | 112.9 | N9 V14 R15 E130 I133 S134 | N9-L11 PolarHBondContact O-N 3.43Å; N9-L11 VanDerWaalsContact O-N 3.08Å; N9-L11 WeakPolarHBondContact OD1-CB 3.2Å; N9-L11 PolarHBondContact OD1-N 3.16Å; L11-V14 PolarHBondContact O-N 3.08Å; L11-R15 WeakPolarHBondContact O-CG 3.48Å; L11-R15 PolarHBondContact O-N 3.06Å; L11-E130 HydrophobicContact CD1-CG 3.74Å; L11-I133 HydrophobicContact CD1-CG2 4.32Å; L11-S134 VanDerWaalsContact CD1-OG 3.23Å; L11-S134 WeakPolarHBondContact CD1-OG 3.49Å |
| 12 | F | 89.2 | Confident | 76.9 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 24% | 0.237 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 178.7 | 175.2 | -97.6 | 0 | 0 | 0 | 111.2 | N9 P10 V14 R15 L16 L58 L62 | N9-F12 HydrophobicContact CB-CB 4.35Å; N9-F12 WeakPolarHBondContact O-CB 3.3Å; N9-F12 PolarHBondContact O-N 3.18Å; P10-F12 PolarHBondContact O-N 3.25Å; F12-V14 PolarHBondContact O-N 3.41Å; F12-R15 PolarHBondContact O-N 3.49Å; F12-L16 WeakPolarHBondContact O-CB 3.42Å; F12-L16 PolarHBondContact O-N 3.2Å; F12-L58 HydrophobicContact CD2-CD2 3.82Å; F12-L58 HydrophobicContact CE2-CD2 3.89Å; F12-L62 HydrophobicContact CE2-CD2 4.06Å; F12-L62 HydrophobicContact CE2-CG 4.49Å |
| 13 | W | 90.7 | Very high | 79.3 | Confident | 138 Ų | 138 | 67.2 Ų | 67.2 | 52% | 0.523 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 178.5 | -74.5 | 107.6 | 0 | 0 | 0 | 112.4 | N9 P10 L16 C17 | N9-W13 PolarHBondContact O-N 3.49Å; P10-W13 PolarHBondContact O-N 3.02Å; W13-L16 HydrophobicContact CE3-CD2 4Å; W13-L16 HydrophobicContact CZ3-CD2 3.9Å; W13-L16 PolarHBondContact O-N 2.89Å; W13-C17 PolarHBondContact O-N 2.98Å; W13-C17 PolarHBondContact O-SG 2.88Å |
| 14 | V | 93.3 | Very high | 81.8 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 177 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | P10 L11 F12 L16 C17 A18 A126 C129 E130 I133 | P10-V14 VanDerWaalsContact O-CG2 3.3Å; P10-V14 WeakPolarHBondContact O-CG2 3.36Å; P10-V14 PolarHBondContact O-N 2.95Å; L11-V14 PolarHBondContact O-N 3.08Å; F12-V14 PolarHBondContact O-N 3.41Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.37Å; V14-C17 PolarHBondContact O-N 3.49Å; V14-A18 WeakPolarHBondContact O-CB 3.46Å; V14-A18 PolarHBondContact O-N 3.32Å; V14-A126 WeakPolarHBondContact CG1-O 3.27Å; V14-C129 HydrophobicContact CG1-CB 3.87Å; V14-C129 HydrophobicContact CG2-CB 4.47Å; V14-E130 HydrophobicContact CG1-CB 3.9Å; V14-I133 HydrophobicContact CG2-CD1 3.89Å |
| 15 | R | 93.8 | Very high | 83.9 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 173.8 | -75.8 | 173.6 | 173.6 | 160.2 | 1.9 | 112.5 | L11 F12 A18 L19 T54 L58 E61 E130 | L11-R15 WeakPolarHBondContact O-CG 3.48Å; L11-R15 PolarHBondContact O-N 3.06Å; F12-R15 PolarHBondContact O-N 3.49Å; R15-A18 PolarHBondContact O-N 3.29Å; R15-L19 WeakPolarHBondContact O-CB 3.02Å; R15-L19 PolarHBondContact O-N 3.35Å; R15-T54 HydrophobicContact CB-CG2 4.38Å; R15-T54 WeakPolarHBondContact O-CG2 3.49Å; R15-L58 HydrophobicContact CB-CD1 4.38Å; R15-L58 HydrophobicContact CB-CD2 3.75Å; R15-L58 HydrophobicContact CB-CG 4.22Å; R15-E61 IonicContact CZ-OE1 2.93Å; R15-E61 IonicContact CZ-OE2 3.15Å; R15-E61 IonicContact NH1-OE1 3.15Å; R15-E61 PolarHBondContact NH1-OE1 3.03Å; R15-E61 IonicContact NH1-OE2 2.68Å; R15-E61 PolarHBondContact NH1-OE2 2.95Å; R15-E61 IonicContact NH2-OE1 4Å; R15-E130 VanDerWaalsContact CG-CD 3.48Å; R15-E130 HydrophobicContact CG-CG 4.12Å; R15-E130 IonicContact CZ-OE1 3.76Å; R15-E130 IonicContact NE-OE1 2.66Å; R15-E130 PolarHBondContact NE-OE1 3.02Å; R15-E130 IonicContact NH2-OE1 3.9Å; R15-E130 PolarHBondContact NH2-OE1 3.43Å |
| 16 | L | 94.1 | Very high | 86.2 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 29% | 0.293 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.4 | -174.6 | 66.1 | 0 | 0 | 0 | 111.4 | F12 W13 V14 L19 V20 | F12-L16 WeakPolarHBondContact O-CB 3.42Å; F12-L16 PolarHBondContact O-N 3.2Å; W13-L16 HydrophobicContact CE3-CD2 4Å; W13-L16 HydrophobicContact CZ3-CD2 3.9Å; W13-L16 PolarHBondContact O-N 2.89Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.37Å; L16-L19 HydrophobicContact CD1-CD2 4.32Å; L16-L19 WeakPolarHBondContact O-CB 3.48Å; L16-L19 PolarHBondContact O-N 3.09Å; L16-V20 WeakPolarHBondContact O-CG2 3.36Å; L16-V20 PolarHBondContact O-N 3.44Å |
| 17 | C | 94.4 | Very high | 88.3 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 173.6 | -70.7 | 0 | 0 | 0 | 0 | 111.5 | W13 V14 L19 V20 F21 A126 | W13-C17 PolarHBondContact O-N 2.98Å; W13-C17 PolarHBondContact O-SG 2.88Å; V14-C17 PolarHBondContact O-N 3.49Å; C17-L19 VanDerWaalsContact C-N 3.33Å; C17-L19 PolarHBondContact O-N 3.33Å; C17-V20 PolarHBondContact O-N 2.95Å; C17-F21 HydrophobicContact CB-CD2 4.34Å; C17-F21 HydrophobicContact CB-CE2 3.9Å; C17-F21 HydrophobicContact CB-CZ 4.37Å; C17-F21 WeakPolarHBondContact O-CB 3.36Å; C17-F21 WeakPolarHBondContact O-CD2 3.45Å; C17-F21 WeakPolarHBondContact O-CG 3.34Å; C17-F21 PolarHBondContact O-N 3.29Å; C17-A126 HydrophobicContact CB-CB 4.47Å |
| 18 | A | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V14 R15 S22 A126 Y127 | V14-A18 WeakPolarHBondContact O-CB 3.46Å; V14-A18 PolarHBondContact O-N 3.32Å; R15-A18 PolarHBondContact O-N 3.29Å; A18-S22 WeakPolarHBondContact O-CB 3.46Å; A18-S22 PolarHBondContact O-N 2.9Å; A18-S22 PolarHBondContact O-OG 3.31Å; A18-A126 HydrophobicContact CB-CB 3.72Å; A18-Y127 HydrophobicContact CB-CD1 3.88Å; A18-Y127 HydrophobicContact CB-CD2 4.34Å; A18-Y127 HydrophobicContact CB-CE1 3.63Å; A18-Y127 HydrophobicContact CB-CE2 4.1Å; A18-Y127 HydrophobicContact CB-CG 4.22Å |
| 19 | L | 95.9 | Very high | 91.9 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 12% | 0.115 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -50.6 | 174.1 | -177.8 | 104.1 | 0 | 0 | 0 | 111.6 | R15 L16 C17 S22 C23 F51 T54 L55 L58 | R15-L19 WeakPolarHBondContact O-CB 3.02Å; R15-L19 PolarHBondContact O-N 3.35Å; L16-L19 HydrophobicContact CD1-CD2 4.32Å; L16-L19 WeakPolarHBondContact O-CB 3.48Å; L16-L19 PolarHBondContact O-N 3.09Å; C17-L19 VanDerWaalsContact C-N 3.33Å; C17-L19 PolarHBondContact O-N 3.33Å; L19-S22 PolarHBondContact O-OG 2.9Å; L19-S22 VanDerWaalsContact O-OG 3.04Å; L19-C23 WeakPolarHBondContact O-CB 3.38Å; L19-C23 PolarHBondContact O-N 3.37Å; L19-F51 HydrophobicContact CD1-CD2 3.87Å; L19-F51 HydrophobicContact CD1-CE2 3.85Å; L19-F51 HydrophobicContact CD2-CE2 4.39Å; L19-F51 HydrophobicContact CG-CD2 3.92Å; L19-F51 HydrophobicContact CG-CE2 3.86Å; L19-T54 HydrophobicContact CB-CG2 3.96Å; L19-T54 HydrophobicContact CD1-CG2 4.15Å; L19-L55 HydrophobicContact CD1-CB 3.64Å; L19-L55 HydrophobicContact CD1-CD1 4.11Å; L19-L55 HydrophobicContact CD1-CG 4.46Å; L19-L58 HydrophobicContact CB-CD1 4.44Å; L19-L58 HydrophobicContact CD1-CD1 4.33Å |
| 20 | V | 96.4 | Very high | 92.3 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 42% | 0.418 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.1 | -46 | -179 | 172 | 0 | 0 | 0 | 0 | 110.6 | L16 C17 C23 V24 | L16-V20 WeakPolarHBondContact O-CG2 3.36Å; L16-V20 PolarHBondContact O-N 3.44Å; C17-V20 PolarHBondContact O-N 2.95Å; V20-C23 WeakPolarHBondContact O-CB 3.48Å; V20-C23 PolarHBondContact O-N 3.48Å; V20-V24 HydrophobicContact CG1-CG2 4.32Å; V20-V24 VanDerWaalsContact O-CG2 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.04Å; V20-V24 PolarHBondContact O-N 3.35Å |
| 21 | F | 96.1 | Very high | 92.3 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 22% | 0.224 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.4 | -42.2 | -177.9 | -61.6 | -29 | 0 | 0 | 0 | 112.9 | C17 V24 A25 F119 L122 A123 A126 | C17-F21 HydrophobicContact CB-CD2 4.34Å; C17-F21 HydrophobicContact CB-CE2 3.9Å; C17-F21 HydrophobicContact CB-CZ 4.37Å; C17-F21 WeakPolarHBondContact O-CB 3.36Å; C17-F21 WeakPolarHBondContact O-CD2 3.45Å; C17-F21 WeakPolarHBondContact O-CG 3.34Å; C17-F21 PolarHBondContact O-N 3.29Å; F21-V24 PolarHBondContact O-N 3.49Å; F21-A25 WeakPolarHBondContact O-CB 3.45Å; F21-A25 PolarHBondContact O-N 2.92Å; F21-F119 HydrophobicContact CB-CD1 4.24Å; F21-F119 AromaticContact CD1-CD1 3.63Å; F21-F119 HydrophobicContact CD1-CD1 3.63Å; F21-F119 AromaticContact CD1-CE1 3.73Å; F21-F119 HydrophobicContact CD1-CE1 3.73Å; F21-F119 HydrophobicContact CE1-CD1 4.42Å; F21-F119 HydrophobicContact CE1-CE1 4.15Å; F21-F119 HydrophobicContact CG-CD1 4.27Å; F21-L122 HydrophobicContact CB-CB 4.42Å; F21-L122 HydrophobicContact CD1-CB 4.45Å; F21-L122 HydrophobicContact CD2-CB 3.66Å; F21-L122 HydrophobicContact CE1-CD1 4.41Å; F21-L122 HydrophobicContact CE2-CB 3.93Å; F21-L122 HydrophobicContact CG-CB 3.94Å; F21-L122 HydrophobicContact CZ-CB 4.43Å; F21-A123 HydrophobicContact CB-CB 3.79Å; F21-A126 HydrophobicContact CD2-CB 4.23Å |
| 22 | S | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -39.5 | 174.6 | 55 | 0 | 0 | 0 | 0 | 112.1 | A18 L19 A25 F26 | A18-S22 WeakPolarHBondContact O-CB 3.46Å; A18-S22 PolarHBondContact O-N 2.9Å; A18-S22 PolarHBondContact O-OG 3.31Å; L19-S22 PolarHBondContact O-OG 2.9Å; L19-S22 VanDerWaalsContact O-OG 3.04Å; S22-A25 PolarHBondContact O-N 2.66Å; S22-F26 WeakPolarHBondContact O-CB 3.23Å; S22-F26 PolarHBondContact O-N 3.42Å |
| 23 | C | 95 | Very high | 90.3 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 174.1 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | L19 V20 F26 A27 F51 | L19-C23 WeakPolarHBondContact O-CB 3.38Å; L19-C23 PolarHBondContact O-N 3.37Å; V20-C23 WeakPolarHBondContact O-CB 3.48Å; V20-C23 PolarHBondContact O-N 3.48Å; C23-F26 PolarHBondContact O-N 3.34Å; C23-A27 VanDerWaalsContact O-CB 3.32Å; C23-A27 WeakPolarHBondContact O-CB 3.41Å; C23-A27 PolarHBondContact O-N 3.3Å; C23-F51 HydrophobicContact CB-CD2 3.62Å; C23-F51 HydrophobicContact CB-CE2 3.79Å; C23-F51 HydrophobicContact CB-CG 4.36Å |
| 24 | V | 94.6 | Very high | 89.3 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | V20 F21 F26 A27 V28 F119 | V20-V24 HydrophobicContact CG1-CG2 4.32Å; V20-V24 VanDerWaalsContact O-CG2 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.04Å; V20-V24 PolarHBondContact O-N 3.35Å; F21-V24 PolarHBondContact O-N 3.49Å; V24-F26 VanDerWaalsContact C-N 3.32Å; V24-F26 PolarHBondContact O-N 2.74Å; V24-A27 PolarHBondContact O-N 2.91Å; V24-V28 HydrophobicContact CG1-CG2 4Å; V24-V28 VanDerWaalsContact O-CB 3.26Å; V24-V28 WeakPolarHBondContact O-CB 3.25Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.47Å; V24-V28 PolarHBondContact O-N 3.31Å; V24-F119 HydrophobicContact CB-CD1 3.88Å; V24-F119 HydrophobicContact CB-CD2 4.5Å; V24-F119 HydrophobicContact CB-CE1 4.18Å; V24-F119 HydrophobicContact CB-CG 4.04Å; V24-F119 HydrophobicContact CG1-CB 4.28Å; V24-F119 HydrophobicContact CG1-CD1 3.78Å; V24-F119 HydrophobicContact CG1-CD2 3.56Å; V24-F119 HydrophobicContact CG1-CE1 3.92Å; V24-F119 HydrophobicContact CG1-CE2 3.72Å; V24-F119 HydrophobicContact CG1-CG 3.59Å; V24-F119 HydrophobicContact CG1-CZ 3.89Å; V24-F119 HydrophobicContact CG2-CD1 4.47Å; V24-F119 HydrophobicContact CG2-CE1 4.34Å |
| 25 | A | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F21 S22 T29 W47 F119 | F21-A25 WeakPolarHBondContact O-CB 3.45Å; F21-A25 PolarHBondContact O-N 2.92Å; S22-A25 PolarHBondContact O-N 2.66Å; A25-T29 WeakPolarHBondContact O-CB 3.49Å; A25-T29 PolarHBondContact O-N 3.48Å; A25-T29 PolarHBondContact O-OG1 2.65Å; A25-W47 HydrophobicContact CB-CD2 3.97Å; A25-W47 HydrophobicContact CB-CG 4Å; A25-F119 HydrophobicContact CB-CB 4.09Å |
| 26 | F | 92.9 | Very high | 86.8 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 30% | 0.298 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -54.6 | 175.3 | 173.6 | -103 | 0 | 0 | 0 | 112.3 | S22 C23 V24 V28 T29 V30 V44 W47 A48 | S22-F26 WeakPolarHBondContact O-CB 3.23Å; S22-F26 PolarHBondContact O-N 3.42Å; C23-F26 PolarHBondContact O-N 3.34Å; V24-F26 VanDerWaalsContact C-N 3.32Å; V24-F26 PolarHBondContact O-N 2.74Å; F26-V28 PolarHBondContact O-N 3.25Å; F26-T29 PolarHBondContact O-N 2.91Å; F26-V30 HydrophobicContact CD2-CG2 4.19Å; F26-V30 HydrophobicContact CE1-CG2 4.37Å; F26-V30 HydrophobicContact CE2-CG2 3.82Å; F26-V30 HydrophobicContact CZ-CG2 3.92Å; F26-V30 WeakPolarHBondContact O-CG2 3.39Å; F26-V30 PolarHBondContact O-N 3.34Å; F26-V44 HydrophobicContact CD2-CG1 3.88Å; F26-V44 HydrophobicContact CE2-CG1 3.58Å; F26-W47 HydrophobicContact CB-CB 3.94Å; F26-A48 HydrophobicContact CD2-CB 3.84Å; F26-A48 HydrophobicContact CE2-CB 3.78Å |
| 27 | A | 92.4 | Very high | 85.5 | Confident | 49 Ų | 49 | 53.8 Ų | 53.8 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C23 V24 T29 V30 H31 | C23-A27 VanDerWaalsContact O-CB 3.32Å; C23-A27 WeakPolarHBondContact O-CB 3.41Å; C23-A27 PolarHBondContact O-N 3.3Å; V24-A27 PolarHBondContact O-N 2.91Å; A27-T29 VanDerWaalsContact C-N 3.28Å; A27-T29 PolarHBondContact O-N 3.43Å; A27-V30 PolarHBondContact O-N 3.03Å; A27-H31 VanDerWaalsContact O-CB 3.28Å; A27-H31 WeakPolarHBondContact O-CB 3.33Å; A27-H31 PolarHBondContact O-N 2.93Å |
| 28 | V | 90.8 | Very high | 84.4 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 177.7 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | V24 F26 G32 Y112 V115 A116 | V24-V28 HydrophobicContact CG1-CG2 4Å; V24-V28 VanDerWaalsContact O-CB 3.26Å; V24-V28 WeakPolarHBondContact O-CB 3.25Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.47Å; V24-V28 PolarHBondContact O-N 3.31Å; F26-V28 PolarHBondContact O-N 3.25Å; V28-G32 PolarHBondContact O-N 3.27Å; V28-Y112 HydrophobicContact CG1-CD1 3.88Å; V28-Y112 HydrophobicContact CG1-CG 4.39Å; V28-Y112 WeakPolarHBondContact CG1-O 3.42Å; V28-V115 HydrophobicContact CG1-CB 4.3Å; V28-V115 HydrophobicContact CG1-CG1 4.2Å; V28-V115 HydrophobicContact CG2-CG1 4.11Å; V28-A116 HydrophobicContact CG1-CB 4.24Å |
| 29 | T | 87.1 | Confident | 83.5 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.8 | -48.3 | -179.7 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | A25 F26 A27 H31 A33 L35 V44 W47 F95 A116 | A25-T29 WeakPolarHBondContact O-CB 3.49Å; A25-T29 PolarHBondContact O-N 3.48Å; A25-T29 PolarHBondContact O-OG1 2.65Å; F26-T29 PolarHBondContact O-N 2.91Å; A27-T29 VanDerWaalsContact C-N 3.28Å; A27-T29 PolarHBondContact O-N 3.43Å; T29-H31 VanDerWaalsContact C-N 3.28Å; T29-H31 PolarHBondContact O-N 3.44Å; T29-A33 HydrophobicContact CG2-CB 3.75Å; T29-A33 VanDerWaalsContact O-CB 3.26Å; T29-A33 WeakPolarHBondContact O-CB 3.17Å; T29-A33 PolarHBondContact O-N 3.18Å; T29-A33 VanDerWaalsContact O-N 3.1Å; T29-L35 HydrophobicContact CG2-CD1 3.37Å; T29-L35 HydrophobicContact CG2-CD2 4.19Å; T29-L35 HydrophobicContact CG2-CG 4.02Å; T29-V44 HydrophobicContact CG2-CG2 4.01Å; T29-W47 HydrophobicContact CG2-CZ3 3.72Å; T29-W47 WeakPolarHBondContact OG1-CZ3 3.42Å; T29-F95 HydrophobicContact CG2-CE2 3.94Å; T29-F95 HydrophobicContact CG2-CZ 4.19Å; T29-A116 VanDerWaalsContact OG1-CB 3.3Å; T29-A116 WeakPolarHBondContact OG1-CB 3.48Å |
| 30 | V | 86.8 | Confident | 82.8 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 58% | 0.582 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63 | -37.2 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | F26 A27 | F26-V30 HydrophobicContact CD2-CG2 4.19Å; F26-V30 HydrophobicContact CE1-CG2 4.37Å; F26-V30 HydrophobicContact CE2-CG2 3.82Å; F26-V30 HydrophobicContact CZ-CG2 3.92Å; F26-V30 WeakPolarHBondContact O-CG2 3.39Å; F26-V30 PolarHBondContact O-N 3.34Å; A27-V30 PolarHBondContact O-N 3.03Å |
| 31 | H | 84.3 | Confident | 82.2 | Confident | 157 Ų | 157 | 54.8 Ų | 54.8 | 73% | 0.727 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -80.1 | -39.6 | -176.1 | -165.3 | 60.7 | 0 | 0 | 0 | 113.8 | A27 T29 | A27-H31 VanDerWaalsContact O-CB 3.28Å; A27-H31 WeakPolarHBondContact O-CB 3.33Å; A27-H31 PolarHBondContact O-N 2.93Å; T29-H31 VanDerWaalsContact C-N 3.28Å; T29-H31 PolarHBondContact O-N 3.44Å |
| 32 | G | 72.5 | Confident | 81.8 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -132.2 | -6.9 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | V28 | V28-G32 PolarHBondContact O-N 3.27Å |
| 33 | A | 63.8 | Low | 81.5 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -85.7 | -15.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T29 L35 F95 R113 | T29-A33 HydrophobicContact CG2-CB 3.75Å; T29-A33 VanDerWaalsContact O-CB 3.26Å; T29-A33 WeakPolarHBondContact O-CB 3.17Å; T29-A33 PolarHBondContact O-N 3.18Å; T29-A33 VanDerWaalsContact O-N 3.1Å; A33-L35 HydrophobicContact CB-CD2 3.88Å; A33-L35 HydrophobicContact CB-CG 4.16Å; A33-F95 HydrophobicContact CB-CZ 4.22Å; A33-R113 HydrophobicContact CB-CG 4.02Å; A33-R113 PolarHBondContact O-NE 3.08Å; A33-R113 PolarHBondContact O-NH2 3.39Å | ||
| 34 | N | 69.4 | Low | 81.3 | Confident | 136 Ų | 136 | 55 Ų | 55 | 73% | 0.727 | 31% | 0.308 | S | S | * | . | trans | 39.8 | 76 | -177 | -166.5 | 12.7 | 0 | 0 | 0 | 112 | R113 | N34-R113 PolarHBondContact O-NH2 3.49Å; N34-R113 VanDerWaalsContact O-NH2 3.12Å | ||
| 35 | L | 71.1 | Confident | 81.2 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 138.4 | -171.7 | -59.9 | 175.2 | 0 | 0 | 0 | 111.3 | T29 A33 V44 F95 F99 | T29-L35 HydrophobicContact CG2-CD1 3.37Å; T29-L35 HydrophobicContact CG2-CD2 4.19Å; T29-L35 HydrophobicContact CG2-CG 4.02Å; A33-L35 HydrophobicContact CB-CD2 3.88Å; A33-L35 HydrophobicContact CB-CG 4.16Å; L35-V44 HydrophobicContact CD1-CG2 3.76Å; L35-F95 HydrophobicContact CD2-CE2 3.64Å; L35-F95 HydrophobicContact CD2-CZ 4.04Å; L35-F99 HydrophobicContact CB-CE1 4.41Å; L35-F99 HydrophobicContact CB-CZ 4.44Å; L35-F99 HydrophobicContact CD2-CD1 3.92Å; L35-F99 HydrophobicContact CD2-CD2 4.19Å; L35-F99 HydrophobicContact CD2-CE1 3.67Å; L35-F99 HydrophobicContact CD2-CE2 3.96Å; L35-F99 HydrophobicContact CD2-CG 4.18Å; L35-F99 HydrophobicContact CD2-CZ 3.69Å |
| 36 | S | 63.5 | Low | 81.2 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 58% | 0.58 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 137.6 | 161.4 | 53.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 37 | H | 65.6 | Low | 81.3 | Confident | 175 Ų | 175 | 54.9 Ų | 54.9 | 81% | 0.81 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | 147.5 | 177.1 | -71.6 | -74.1 | 0 | 0 | 0 | 113 | ||
| 38 | G | 72.9 | Confident | 81.4 | Confident | 44 Ų | 44 | 54 Ų | 54 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.7 | -107.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G40 D41 W42 | G38-G40 PolarHBondContact O-N 3.2Å; G38-G40 VanDerWaalsContact O-N 3.16Å; G38-D41 PolarHBondContact N-OD2 3.06Å; G38-D41 WeakPolarHBondContact O-CB 3.35Å; G38-D41 PolarHBondContact O-N 3.27Å; G38-W42 PolarHBondContact O-N 3.3Å |
| 39 | T | 74.8 | Confident | 81.5 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 23% | 0.233 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -26.6 | -174.1 | -49.4 | 0 | 0 | 0 | 0 | 113.7 | C43 I94 Y98 | T39-C43 PolarHBondContact O-N 3.44Å; T39-C43 PolarHBondContact O-SG 3.42Å; T39-C43 VanDerWaalsContact O-SG 3.32Å; T39-I94 HydrophobicContact CG2-CG2 3.16Å; T39-Y98 HydrophobicContact CG2-CD1 4.22Å; T39-Y98 HydrophobicContact CG2-CD2 3.76Å; T39-Y98 HydrophobicContact CG2-CE1 4.45Å; T39-Y98 HydrophobicContact CG2-CE2 3.99Å; T39-Y98 HydrophobicContact CG2-CG 3.87Å |
| 40 | G | 80.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | G38 W42 C43 V44 | G38-G40 PolarHBondContact O-N 3.2Å; G38-G40 VanDerWaalsContact O-N 3.16Å; G40-W42 VanDerWaalsContact C-N 3.32Å; G40-W42 PolarHBondContact O-N 3.43Å; G40-C43 PolarHBondContact O-N 2.89Å; G40-C43 VanDerWaalsContact O-N 3.15Å; G40-V44 WeakPolarHBondContact O-CG2 3.15Å; G40-V44 PolarHBondContact O-N 3.49Å |
| 41 | D | 84.9 | Confident | 82.3 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | -178.7 | -56.1 | -36.8 | 0 | 0 | 0 | 111.2 | G38 V44 F45 | G38-D41 PolarHBondContact N-OD2 3.06Å; G38-D41 WeakPolarHBondContact O-CB 3.35Å; G38-D41 PolarHBondContact O-N 3.27Å; D41-V44 PolarHBondContact O-N 2.97Å; D41-F45 VanDerWaalsContact O-CB 3.31Å; D41-F45 WeakPolarHBondContact O-CB 3.27Å; D41-F45 PolarHBondContact O-N 3.46Å |
| 42 | W | 86.4 | Confident | 82.8 | Confident | 69 Ų | 69 | 50 Ų | 50 | 26% | 0.261 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 172.7 | 177.3 | -99 | 0 | 0 | 0 | 112.4 | G38 G40 F45 C46 L87 V165 | G38-W42 PolarHBondContact O-N 3.3Å; G40-W42 VanDerWaalsContact C-N 3.32Å; G40-W42 PolarHBondContact O-N 3.43Å; W42-F45 PolarHBondContact O-N 2.92Å; W42-C46 PolarHBondContact NE1-SG 3Å; W42-C46 PolarHBondContact O-N 3.48Å; W42-C46 PolarHBondContact O-SG 3.5Å; W42-L87 HydrophobicContact CH2-CD2 4.43Å; W42-L87 HydrophobicContact CZ2-CD2 4.14Å; W42-V165 HydrophobicContact CZ3-CG2 4.38Å |
| 43 | C | 89.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -43 | -179.8 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | T39 G40 F45 C46 W47 A91 F95 | T39-C43 PolarHBondContact O-N 3.44Å; T39-C43 PolarHBondContact O-SG 3.42Å; T39-C43 VanDerWaalsContact O-SG 3.32Å; G40-C43 PolarHBondContact O-N 2.89Å; G40-C43 VanDerWaalsContact O-N 3.15Å; C43-F45 VanDerWaalsContact C-N 3.34Å; C43-F45 PolarHBondContact O-N 3.17Å; C43-C46 WeakPolarHBondContact O-CB 3.47Å; C43-C46 PolarHBondContact O-N 2.91Å; C43-W47 HydrophobicContact CB-CE3 4.46Å; C43-W47 HydrophobicContact CB-CH2 3.93Å; C43-W47 HydrophobicContact CB-CZ2 4.29Å; C43-W47 HydrophobicContact CB-CZ3 3.98Å; C43-W47 VanDerWaalsContact O-CD2 3.23Å; C43-W47 VanDerWaalsContact O-CE3 3.31Å; C43-W47 PolarHBondContact O-N 2.88Å; C43-W47 VanDerWaalsContact O-N 3.08Å; C43-A91 HydrophobicContact CB-CB 4.25Å; C43-F95 HydrophobicContact CB-CD2 3.92Å |
| 44 | V | 91.4 | Very high | 85.2 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.3 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | F26 T29 L35 G40 D41 W47 A48 | F26-V44 HydrophobicContact CD2-CG1 3.88Å; F26-V44 HydrophobicContact CE2-CG1 3.58Å; T29-V44 HydrophobicContact CG2-CG2 4.01Å; L35-V44 HydrophobicContact CD1-CG2 3.76Å; G40-V44 WeakPolarHBondContact O-CG2 3.15Å; G40-V44 PolarHBondContact O-N 3.49Å; D41-V44 PolarHBondContact O-N 2.97Å; V44-W47 PolarHBondContact O-N 2.94Å; V44-A48 WeakPolarHBondContact O-CB 3.18Å; V44-A48 PolarHBondContact O-N 3.34Å |
| 45 | F | 91.5 | Very high | 86.4 | Confident | 107 Ų | 107 | 46.8 Ų | 46.8 | 47% | 0.469 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 173.8 | 172.6 | -98.1 | 0 | 0 | 0 | 111.8 | D41 W42 C43 W47 A48 F49 | D41-F45 VanDerWaalsContact O-CB 3.31Å; D41-F45 WeakPolarHBondContact O-CB 3.27Å; D41-F45 PolarHBondContact O-N 3.46Å; W42-F45 PolarHBondContact O-N 2.92Å; C43-F45 VanDerWaalsContact C-N 3.34Å; C43-F45 PolarHBondContact O-N 3.17Å; F45-W47 PolarHBondContact O-N 2.98Å; F45-A48 PolarHBondContact O-N 3.27Å; F45-F49 HydrophobicContact CE2-CB 4.38Å; F45-F49 HydrophobicContact CZ-CB 4.28Å; F45-F49 HydrophobicContact CZ-CD2 4.27Å; F45-F49 HydrophobicContact CZ-CG 4.29Å; F45-F49 WeakPolarHBondContact O-CB 3.18Å; F45-F49 PolarHBondContact O-N 3.04Å |
| 46 | C | 92.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.6 | -49.5 | 178.3 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | W42 C43 S50 L87 A91 | W42-C46 PolarHBondContact NE1-SG 3Å; W42-C46 PolarHBondContact O-N 3.48Å; W42-C46 PolarHBondContact O-SG 3.5Å; C43-C46 WeakPolarHBondContact O-CB 3.47Å; C43-C46 PolarHBondContact O-N 2.91Å; C46-S50 VanDerWaalsContact O-CB 3.27Å; C46-S50 WeakPolarHBondContact O-CB 3.38Å; C46-S50 PolarHBondContact O-N 3.42Å; C46-S50 VanDerWaalsContact O-N 3.07Å; C46-S50 PolarHBondContact O-OG 2.74Å; C46-L87 HydrophobicContact CB-CB 4Å; C46-L87 HydrophobicContact CB-CD2 4.48Å; C46-L87 VanDerWaalsContact SG-CD2 3.57Å; C46-A91 HydrophobicContact CB-CB 4.04Å |
| 47 | W | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70 | -42.4 | -179.2 | -59 | -41.6 | 0 | 0 | 0 | 112.8 | A25 F26 T29 C43 V44 F45 F51 A91 F95 A116 S120 | A25-W47 HydrophobicContact CB-CD2 3.97Å; A25-W47 HydrophobicContact CB-CG 4Å; F26-W47 HydrophobicContact CB-CB 3.94Å; T29-W47 HydrophobicContact CG2-CZ3 3.72Å; T29-W47 WeakPolarHBondContact OG1-CZ3 3.42Å; C43-W47 HydrophobicContact CB-CE3 4.46Å; C43-W47 HydrophobicContact CB-CH2 3.93Å; C43-W47 HydrophobicContact CB-CZ2 4.29Å; C43-W47 HydrophobicContact CB-CZ3 3.98Å; C43-W47 VanDerWaalsContact O-CD2 3.23Å; C43-W47 VanDerWaalsContact O-CE3 3.31Å; C43-W47 PolarHBondContact O-N 2.88Å; C43-W47 VanDerWaalsContact O-N 3.08Å; V44-W47 PolarHBondContact O-N 2.94Å; F45-W47 PolarHBondContact O-N 2.98Å; W47-F51 VanDerWaalsContact O-CB 3.3Å; W47-F51 WeakPolarHBondContact O-CB 3.18Å; W47-F51 PolarHBondContact O-N 2.69Å; W47-A91 HydrophobicContact CZ2-CB 4.05Å; W47-F95 HydrophobicContact CH2-CB 4.44Å; W47-F95 HydrophobicContact CH2-CD1 4.43Å; W47-F95 AromaticContact CH2-CD2 3.56Å; W47-F95 HydrophobicContact CH2-CD2 3.56Å; W47-F95 AromaticContact CH2-CE2 3.74Å; W47-F95 HydrophobicContact CH2-CE2 3.74Å; W47-F95 AromaticContact CH2-CG 3.91Å; W47-F95 HydrophobicContact CH2-CG 3.91Å; W47-F95 HydrophobicContact CH2-CZ 4.26Å; W47-F95 HydrophobicContact CZ2-CD2 4.44Å; W47-F95 HydrophobicContact CZ2-CG 4.45Å; W47-F95 HydrophobicContact CZ3-CD2 4.27Å; W47-F95 HydrophobicContact CZ3-CE2 4.16Å; W47-A116 HydrophobicContact CH2-CB 4.29Å; W47-S120 VanDerWaalsContact NE1-CB 3.3Å; W47-S120 PolarHBondContact NE1-OG 3.34Å |
| 48 | A | 94.4 | Very high | 89.9 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F26 V44 F45 F51 A52 | F26-A48 HydrophobicContact CD2-CB 3.84Å; F26-A48 HydrophobicContact CE2-CB 3.78Å; V44-A48 WeakPolarHBondContact O-CB 3.18Å; V44-A48 PolarHBondContact O-N 3.34Å; F45-A48 PolarHBondContact O-N 3.27Å; A48-F51 PolarHBondContact O-N 2.97Å; A48-A52 VanDerWaalsContact O-CB 3.26Å; A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 3.41Å |
| 49 | F | 94.2 | Very high | 90.6 | Very high | 88 Ų | 88 | 38.7 Ų | 38.7 | 39% | 0.386 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.1 | -45.6 | 178.2 | -177.3 | -98.4 | 0 | 0 | 0 | 111.5 | F45 A52 G53 F80 L87 | F45-F49 HydrophobicContact CE2-CB 4.38Å; F45-F49 HydrophobicContact CZ-CB 4.28Å; F45-F49 HydrophobicContact CZ-CD2 4.27Å; F45-F49 HydrophobicContact CZ-CG 4.29Å; F45-F49 WeakPolarHBondContact O-CB 3.18Å; F45-F49 PolarHBondContact O-N 3.04Å; F49-A52 PolarHBondContact O-N 2.82Å; F49-G53 PolarHBondContact O-N 3.48Å; F49-F80 HydrophobicContact CD1-CE2 4.18Å; F49-F80 HydrophobicContact CE1-CD2 4.32Å; F49-F80 AromaticContact CE1-CE2 3.6Å; F49-F80 HydrophobicContact CE1-CE2 3.6Å; F49-F80 HydrophobicContact CE1-CZ 4.46Å; F49-F80 HydrophobicContact CZ-CE2 4.01Å; F49-L87 HydrophobicContact CD1-CD1 3.62Å; F49-L87 HydrophobicContact CE1-CD1 4.1Å |
| 50 | S | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -49.1 | 174.4 | -72.2 | 0 | 0 | 0 | 0 | 111.7 | C46 T54 A84 C88 Y127 | C46-S50 VanDerWaalsContact O-CB 3.27Å; C46-S50 WeakPolarHBondContact O-CB 3.38Å; C46-S50 PolarHBondContact O-N 3.42Å; C46-S50 VanDerWaalsContact O-N 3.07Å; C46-S50 PolarHBondContact O-OG 2.74Å; S50-T54 WeakPolarHBondContact O-CB 3.1Å; S50-T54 PolarHBondContact O-N 3.29Å; S50-T54 PolarHBondContact O-OG1 3.33Å; S50-A84 WeakPolarHBondContact OG-CA 3.1Å; S50-A84 WeakPolarHBondContact OG-CB 3.39Å; S50-C88 PolarHBondContact OG-SG 2.98Å; S50-Y127 WeakPolarHBondContact CB-OH 3.11Å; S50-Y127 PolarHBondContact O-OH 2.94Å; S50-Y127 VanDerWaalsContact O-OH 3.06Å |
| 51 | F | 94.9 | Very high | 91.5 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 25% | 0.25 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.7 | -53.7 | 176.9 | 167.8 | -107.1 | 0 | 0 | 0 | 112.1 | L19 C23 W47 A48 G53 T54 L55 | L19-F51 HydrophobicContact CD1-CD2 3.87Å; L19-F51 HydrophobicContact CD1-CE2 3.85Å; L19-F51 HydrophobicContact CD2-CE2 4.39Å; L19-F51 HydrophobicContact CG-CD2 3.92Å; L19-F51 HydrophobicContact CG-CE2 3.86Å; C23-F51 HydrophobicContact CB-CD2 3.62Å; C23-F51 HydrophobicContact CB-CE2 3.79Å; C23-F51 HydrophobicContact CB-CG 4.36Å; W47-F51 VanDerWaalsContact O-CB 3.3Å; W47-F51 WeakPolarHBondContact O-CB 3.18Å; W47-F51 PolarHBondContact O-N 2.69Å; A48-F51 PolarHBondContact O-N 2.97Å; F51-G53 PolarHBondContact O-N 3.12Å; F51-T54 PolarHBondContact O-N 2.58Å; F51-L55 HydrophobicContact CZ-CD2 4.22Å; F51-L55 WeakPolarHBondContact O-CB 3.38Å; F51-L55 PolarHBondContact O-N 3.46Å |
| 52 | A | 95.6 | Very high | 91.5 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 44% | 0.438 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.1 | -42.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A48 F49 L55 L56 | A48-A52 VanDerWaalsContact O-CB 3.26Å; A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 3.41Å; F49-A52 PolarHBondContact O-N 2.82Å; A52-L55 PolarHBondContact O-N 3.24Å; A52-L56 WeakPolarHBondContact O-CB 3.4Å; A52-L56 PolarHBondContact O-N 2.9Å |
| 53 | G | 92.9 | Very high | 91.5 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.1 | -36.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F49 F51 L55 L56 V57 F80 | F49-G53 PolarHBondContact O-N 3.48Å; F51-G53 PolarHBondContact O-N 3.12Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.19Å; G53-L56 PolarHBondContact O-N 3.25Å; G53-V57 WeakPolarHBondContact O-CG2 3.45Å; G53-V57 PolarHBondContact O-N 2.86Å; G53-F80 VanDerWaalsContact C-CE1 3.44Å; G53-F80 VanDerWaalsContact C-CZ 3.48Å |
| 54 | T | 93.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 172.3 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | R15 L19 S50 F51 L56 V57 L58 F80 Y127 | R15-T54 HydrophobicContact CB-CG2 4.38Å; R15-T54 WeakPolarHBondContact O-CG2 3.49Å; L19-T54 HydrophobicContact CB-CG2 3.96Å; L19-T54 HydrophobicContact CD1-CG2 4.15Å; S50-T54 WeakPolarHBondContact O-CB 3.1Å; S50-T54 PolarHBondContact O-N 3.29Å; S50-T54 PolarHBondContact O-OG1 3.33Å; F51-T54 PolarHBondContact O-N 2.58Å; T54-L56 VanDerWaalsContact C-N 3.33Å; T54-L56 PolarHBondContact O-N 3.45Å; T54-V57 PolarHBondContact O-N 2.9Å; T54-L58 HydrophobicContact CG2-CD1 4.25Å; T54-L58 HydrophobicContact CG2-CG 4.5Å; T54-L58 WeakPolarHBondContact O-CB 3.19Å; T54-L58 WeakPolarHBondContact O-CG 3.38Å; T54-L58 PolarHBondContact O-N 2.92Å; T54-F80 VanDerWaalsContact N-CE1 3.35Å; T54-Y127 WeakPolarHBondContact OG1-CE1 3.4Å; T54-Y127 PolarHBondContact OG1-OH 3.46Å |
| 55 | L | 93.7 | Very high | 90.6 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 34% | 0.335 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.2 | -47 | 173.5 | -176.1 | 59.9 | 0 | 0 | 0 | 110.7 | L19 F51 A52 G53 V57 L58 L59 | L19-L55 HydrophobicContact CD1-CB 3.64Å; L19-L55 HydrophobicContact CD1-CD1 4.11Å; L19-L55 HydrophobicContact CD1-CG 4.46Å; F51-L55 HydrophobicContact CZ-CD2 4.22Å; F51-L55 WeakPolarHBondContact O-CB 3.38Å; F51-L55 PolarHBondContact O-N 3.46Å; A52-L55 PolarHBondContact O-N 3.24Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.19Å; L55-V57 PolarHBondContact O-N 3.24Å; L55-L58 PolarHBondContact O-N 2.92Å; L55-L59 HydrophobicContact CD1-CD1 4.29Å; L55-L59 HydrophobicContact CD1-CG 4.23Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 HydrophobicContact CG-CG 4.37Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 VanDerWaalsContact O-CG 3.27Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 3.46Å |
| 56 | L | 91.9 | Very high | 90 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 47% | 0.466 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 177.5 | -174.8 | 155.6 | 0 | 0 | 0 | 111.4 | A52 G53 T54 L58 L59 V60 W73 | A52-L56 WeakPolarHBondContact O-CB 3.4Å; A52-L56 PolarHBondContact O-N 2.9Å; G53-L56 PolarHBondContact O-N 3.25Å; T54-L56 VanDerWaalsContact C-N 3.33Å; T54-L56 PolarHBondContact O-N 3.45Å; L56-L58 PolarHBondContact O-N 2.87Å; L56-L59 PolarHBondContact O-N 3.41Å; L56-V60 HydrophobicContact CD2-CG2 4.1Å; L56-V60 WeakPolarHBondContact O-CG2 3.3Å; L56-V60 PolarHBondContact O-N 2.73Å; L56-W73 HydrophobicContact CD2-CH2 4.34Å |
| 57 | V | 90.8 | Very high | 89 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | G53 T54 L55 L59 V60 E61 W73 F76 P77 F80 | G53-V57 WeakPolarHBondContact O-CG2 3.45Å; G53-V57 PolarHBondContact O-N 2.86Å; T54-V57 PolarHBondContact O-N 2.9Å; L55-V57 PolarHBondContact O-N 3.24Å; V57-L59 PolarHBondContact O-N 2.96Å; V57-V60 PolarHBondContact O-N 2.91Å; V57-E61 WeakPolarHBondContact O-CG 3.38Å; V57-E61 PolarHBondContact O-N 2.75Å; V57-E61 VanDerWaalsContact O-N 3.09Å; V57-W73 HydrophobicContact CG1-CZ2 4.26Å; V57-W73 HydrophobicContact CG2-CH2 4.5Å; V57-F76 HydrophobicContact CG2-CD1 4.49Å; V57-F76 HydrophobicContact CG2-CE1 3.99Å; V57-P77 HydrophobicContact CG1-CB 4.16Å; V57-F80 HydrophobicContact CG2-CD1 4.39Å |
| 58 | L | 90.2 | Very high | 88 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -44.1 | 178.7 | -75.7 | 175.3 | 0 | 0 | 0 | 112.3 | F12 R15 L19 T54 L55 L56 E61 L62 | F12-L58 HydrophobicContact CD2-CD2 3.82Å; F12-L58 HydrophobicContact CE2-CD2 3.89Å; R15-L58 HydrophobicContact CB-CD1 4.38Å; R15-L58 HydrophobicContact CB-CD2 3.75Å; R15-L58 HydrophobicContact CB-CG 4.22Å; L19-L58 HydrophobicContact CB-CD1 4.44Å; L19-L58 HydrophobicContact CD1-CD1 4.33Å; T54-L58 HydrophobicContact CG2-CD1 4.25Å; T54-L58 HydrophobicContact CG2-CG 4.5Å; T54-L58 WeakPolarHBondContact O-CB 3.19Å; T54-L58 WeakPolarHBondContact O-CG 3.38Å; T54-L58 PolarHBondContact O-N 2.92Å; L55-L58 PolarHBondContact O-N 2.92Å; L56-L58 PolarHBondContact O-N 2.87Å; L58-E61 PolarHBondContact O-N 2.84Å; L58-L62 WeakPolarHBondContact O-CB 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.11Å; L58-L62 PolarHBondContact O-N 3.43Å |
| 59 | L | 89.1 | Confident | 87.1 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 39% | 0.387 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 179.1 | -69.8 | 175.4 | 0 | 0 | 0 | 111.5 | L55 L56 V57 E61 L62 F63 | L55-L59 HydrophobicContact CD1-CD1 4.29Å; L55-L59 HydrophobicContact CD1-CG 4.23Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 HydrophobicContact CG-CG 4.37Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 VanDerWaalsContact O-CG 3.27Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 3.46Å; L56-L59 PolarHBondContact O-N 3.41Å; V57-L59 PolarHBondContact O-N 2.96Å; L59-E61 VanDerWaalsContact C-N 3.27Å; L59-E61 PolarHBondContact O-N 3.2Å; L59-L62 PolarHBondContact O-N 3.48Å; L59-F63 HydrophobicContact CB-CD2 4.3Å; L59-F63 HydrophobicContact CB-CE2 4.26Å; L59-F63 HydrophobicContact CD2-CE2 3.96Å; L59-F63 WeakPolarHBondContact O-CB 3.45Å; L59-F63 WeakPolarHBondContact O-CD2 3.23Å; L59-F63 PolarHBondContact O-N 3.4Å |
| 60 | V | 87.4 | Confident | 86 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 16% | 0.158 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 179 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | L56 V57 G64 L65 W73 | L56-V60 HydrophobicContact CD2-CG2 4.1Å; L56-V60 WeakPolarHBondContact O-CG2 3.3Å; L56-V60 PolarHBondContact O-N 2.73Å; V57-V60 PolarHBondContact O-N 2.91Å; V60-G64 PolarHBondContact O-N 3.31Å; V60-G64 VanDerWaalsContact O-N 3.16Å; V60-L65 HydrophobicContact CG1-CB 4.19Å; V60-L65 PolarHBondContact O-N 3.38Å; V60-W73 HydrophobicContact CB-CH2 3.5Å; V60-W73 VanDerWaalsContact CB-CH2 3.5Å; V60-W73 HydrophobicContact CB-CZ2 3.53Å; V60-W73 HydrophobicContact CB-CZ3 4.34Å; V60-W73 HydrophobicContact CG1-CD2 4.23Å; V60-W73 HydrophobicContact CG1-CE3 4.22Å; V60-W73 HydrophobicContact CG1-CH2 3.4Å; V60-W73 VanDerWaalsContact CG1-CH2 3.4Å; V60-W73 HydrophobicContact CG1-CZ2 3.39Å; V60-W73 HydrophobicContact CG1-CZ3 3.84Å; V60-W73 HydrophobicContact CG2-CH2 3.86Å; V60-W73 HydrophobicContact CG2-CZ2 4.4Å |
| 61 | E | 86.3 | Confident | 85.3 | Confident | 54 Ų | 54 | 68 Ų | 68 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.8 | -43.5 | 176.3 | -71.9 | -176.4 | 162.5 | 0 | 0 | 112.9 | R15 V57 L58 L59 F63 G64 W73 | R15-E61 IonicContact CZ-OE1 2.93Å; R15-E61 IonicContact CZ-OE2 3.15Å; R15-E61 IonicContact NH1-OE1 3.15Å; R15-E61 PolarHBondContact NH1-OE1 3.03Å; R15-E61 IonicContact NH1-OE2 2.68Å; R15-E61 PolarHBondContact NH1-OE2 2.95Å; R15-E61 IonicContact NH2-OE1 4Å; V57-E61 WeakPolarHBondContact O-CG 3.38Å; V57-E61 PolarHBondContact O-N 2.75Å; V57-E61 VanDerWaalsContact O-N 3.09Å; L58-E61 PolarHBondContact O-N 2.84Å; L59-E61 VanDerWaalsContact C-N 3.27Å; L59-E61 PolarHBondContact O-N 3.2Å; E61-F63 VanDerWaalsContact C-N 3.32Å; E61-F63 PolarHBondContact O-N 3.4Å; E61-G64 PolarHBondContact O-N 2.88Å; E61-W73 HydrophobicContact CG-CZ2 4.2Å; E61-W73 PolarHBondContact OE1-NE1 3.45Å |
| 62 | L | 84.8 | Confident | 84.5 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 178.4 | -73.7 | 170 | 0 | 0 | 0 | 112.5 | V4 F12 L58 L59 G64 | V4-L62 HydrophobicContact CG1-CD2 4.42Å; F12-L62 HydrophobicContact CE2-CD2 4.06Å; F12-L62 HydrophobicContact CE2-CG 4.49Å; L58-L62 WeakPolarHBondContact O-CB 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.11Å; L58-L62 PolarHBondContact O-N 3.43Å; L59-L62 PolarHBondContact O-N 3.48Å; L62-G64 VanDerWaalsContact C-N 3.34Å |
| 63 | F | 85.5 | Confident | 83.9 | Confident | 147 Ų | 147 | 64.9 Ų | 64.9 | 65% | 0.645 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -3 | 177.2 | -66.4 | -60 | 0 | 0 | 0 | 113.8 | L59 E61 L65 | L59-F63 HydrophobicContact CB-CD2 4.3Å; L59-F63 HydrophobicContact CB-CE2 4.26Å; L59-F63 HydrophobicContact CD2-CE2 3.96Å; L59-F63 WeakPolarHBondContact O-CB 3.45Å; L59-F63 WeakPolarHBondContact O-CD2 3.23Å; L59-F63 PolarHBondContact O-N 3.4Å; E61-F63 VanDerWaalsContact C-N 3.32Å; E61-F63 PolarHBondContact O-N 3.4Å; F63-L65 HydrophobicContact CB-CD1 3.74Å; F63-L65 HydrophobicContact CB-CG 3.82Å; F63-L65 HydrophobicContact CG-CD1 4.46Å; F63-L65 PolarHBondContact O-N 2.83Å |
| 64 | G | 81.3 | Confident | 83.3 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 47% | 0.474 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 26.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V60 E61 L62 Q66 | V60-G64 PolarHBondContact O-N 3.31Å; V60-G64 VanDerWaalsContact O-N 3.16Å; E61-G64 PolarHBondContact O-N 2.88Å; L62-G64 VanDerWaalsContact C-N 3.34Å; G64-Q66 PolarHBondContact O-N 3.47Å |
| 65 | L | 80.9 | Confident | 82.9 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 38% | 0.377 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -81 | 10.6 | -176 | -71.3 | 169 | 0 | 0 | 0 | 113.3 | V60 F63 T67 R68 A69 | V60-L65 HydrophobicContact CG1-CB 4.19Å; V60-L65 PolarHBondContact O-N 3.38Å; F63-L65 HydrophobicContact CB-CD1 3.74Å; F63-L65 HydrophobicContact CB-CG 3.82Å; F63-L65 HydrophobicContact CG-CD1 4.46Å; F63-L65 PolarHBondContact O-N 2.83Å; L65-T67 PolarHBondContact O-N 3.45Å; L65-R68 PolarHBondContact O-N 3.45Å; L65-A69 PolarHBondContact O-N 2.93Å |
| 66 | Q | 78.5 | Confident | 82.6 | Confident | 88 Ų | 88 | 70.6 Ų | 70.6 | 41% | 0.411 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -55.2 | -38.1 | -175.8 | -59.9 | 178.4 | -39.7 | 0 | 0 | 112.7 | G64 R68 A69 W73 | G64-Q66 PolarHBondContact O-N 3.47Å; Q66-R68 VanDerWaalsContact C-N 3.3Å; Q66-R68 PolarHBondContact O-N 2.98Å; Q66-A69 PolarHBondContact O-N 3.02Å; Q66-W73 HydrophobicContact CB-CB 4.37Å; Q66-W73 HydrophobicContact CB-CG 4.1Å; Q66-W73 HydrophobicContact CG-CD2 4.39Å; Q66-W73 HydrophobicContact CG-CG 3.95Å |
| 67 | T | 71.9 | Confident | 82.5 | Confident | 135 Ų | 135 | 66.7 Ų | 66.7 | 83% | 0.828 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -77.1 | -13.2 | -177.5 | 55.1 | 0 | 0 | 0 | 0 | 114 | L65 | L65-T67 PolarHBondContact O-N 3.45Š|
| 68 | R | 74.1 | Confident | 82.5 | Confident | 208 Ų | 208 | 66.9 Ų | 66.9 | 79% | 0.785 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -101.3 | -7.6 | 178 | -64.1 | -174.1 | -179.2 | 175.9 | 0.1 | 112.8 | L65 Q66 | L65-R68 PolarHBondContact O-N 3.45Å; Q66-R68 VanDerWaalsContact C-N 3.3Å; Q66-R68 PolarHBondContact O-N 2.98Å |
| 69 | A | 75.5 | Confident | 82.6 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | trans | -71.6 | 135.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L65 Q66 V71 W73 | L65-A69 PolarHBondContact O-N 2.93Å; Q66-A69 PolarHBondContact O-N 3.02Å; A69-V71 HydrophobicContact CB-CG2 4.3Å; A69-V71 PolarHBondContact O-N 3.12Å; A69-V71 VanDerWaalsContact O-N 3.17Å; A69-W73 HydrophobicContact CB-CE3 4.12Å; A69-W73 HydrophobicContact CB-CZ3 4.43Å | ||
| 70 | P | 72.4 | Confident | 82.8 | Confident | 129 Ų | 129 | 63.8 Ų | 63.8 | 84% | 0.838 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -71.9 | -3 | 177.3 | 30.4 | -35.7 | 0 | 0 | 0 | 113.3 | ||
| 71 | V | 78.9 | Confident | 83.1 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -116.6 | 150.6 | -175.3 | -66.6 | 0 | 0 | 0 | 0 | 111.1 | A69 W73 F76 I201 | A69-V71 HydrophobicContact CB-CG2 4.3Å; A69-V71 PolarHBondContact O-N 3.12Å; A69-V71 VanDerWaalsContact O-N 3.17Å; V71-W73 HydrophobicContact CG2-CE3 4.4Å; V71-W73 HydrophobicContact CG2-CZ3 4.47Å; V71-W73 PolarHBondContact O-N 3.48Å; V71-F76 HydrophobicContact CG2-CB 4.33Å; V71-F76 HydrophobicContact CG2-CD2 4.44Å; V71-F76 HydrophobicContact CG2-CG 4.23Å; V71-I201 HydrophobicContact CB-CG2 4.03Å; V71-I201 HydrophobicContact CG1-CG2 4.07Å |
| 72 | S | 78.4 | Confident | 83.5 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | trans | -63.9 | 107.9 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | K74 N75 F76 I201 E203 | S72-K74 PolarHBondContact O-N 2.94Å; S72-K74 VanDerWaalsContact O-N 3.12Å; S72-N75 PolarHBondContact O-N 3.41Å; S72-N75 VanDerWaalsContact O-N 3.15Å; S72-N75 PolarHBondContact OG-ND2 3.26Å; S72-F76 VanDerWaalsContact O-CB 3.29Å; S72-F76 WeakPolarHBondContact O-CB 3.32Å; S72-F76 PolarHBondContact O-N 3.49Å; S72-I201 WeakPolarHBondContact CB-O 3.4Å; S72-I201 PolarHBondContact N-O 3.41Å; S72-E203 WeakPolarHBondContact CB-OE1 3.3Å; S72-E203 PolarHBondContact OG-OE1 2.93Å | ||
| 73 | W | 83 | Confident | 84 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -8.4 | 176.7 | -147.9 | -101.3 | 0 | 0 | 0 | 113.3 | L56 V57 V60 E61 Q66 A69 V71 F76 P77 | L56-W73 HydrophobicContact CD2-CH2 4.34Å; V57-W73 HydrophobicContact CG1-CZ2 4.26Å; V57-W73 HydrophobicContact CG2-CH2 4.5Å; V60-W73 HydrophobicContact CB-CH2 3.5Å; V60-W73 VanDerWaalsContact CB-CH2 3.5Å; V60-W73 HydrophobicContact CB-CZ2 3.53Å; V60-W73 HydrophobicContact CB-CZ3 4.34Å; V60-W73 HydrophobicContact CG1-CD2 4.23Å; V60-W73 HydrophobicContact CG1-CE3 4.22Å; V60-W73 HydrophobicContact CG1-CH2 3.4Å; V60-W73 VanDerWaalsContact CG1-CH2 3.4Å; V60-W73 HydrophobicContact CG1-CZ2 3.39Å; V60-W73 HydrophobicContact CG1-CZ3 3.84Å; V60-W73 HydrophobicContact CG2-CH2 3.86Å; V60-W73 HydrophobicContact CG2-CZ2 4.4Å; E61-W73 HydrophobicContact CG-CZ2 4.2Å; E61-W73 PolarHBondContact OE1-NE1 3.45Å; Q66-W73 HydrophobicContact CB-CB 4.37Å; Q66-W73 HydrophobicContact CB-CG 4.1Å; Q66-W73 HydrophobicContact CG-CD2 4.39Å; Q66-W73 HydrophobicContact CG-CG 3.95Å; A69-W73 HydrophobicContact CB-CE3 4.12Å; A69-W73 HydrophobicContact CB-CZ3 4.43Å; V71-W73 HydrophobicContact CG2-CE3 4.4Å; V71-W73 HydrophobicContact CG2-CZ3 4.47Å; V71-W73 PolarHBondContact O-N 3.48Å; W73-F76 HydrophobicContact CE3-CD1 4.32Å; W73-F76 HydrophobicContact CH2-CD1 4.18Å; W73-F76 HydrophobicContact CH2-CE1 4.32Å; W73-F76 AromaticContact CZ3-CD1 3.83Å; W73-F76 HydrophobicContact CZ3-CD1 3.83Å; W73-F76 HydrophobicContact CZ3-CE1 4.2Å; W73-P77 HydrophobicContact CD2-CG 4.27Å; W73-P77 HydrophobicContact CG-CG 4.4Å; W73-P77 HydrophobicContact CZ2-CG 4.4Å; W73-P77 WeakPolarHBondContact O-CD 3.3Å; W73-P77 WeakPolarHBondContact O-CG 3.4Å |
| 74 | K | 80.6 | Confident | 84.4 | Confident | 140 Ų | 140 | 52.1 Ų | 52.1 | 61% | 0.609 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -36.6 | 171.9 | -65.1 | -176.1 | 179.3 | 179.6 | 0 | 112.5 | S72 | S72-K74 PolarHBondContact O-N 2.94Å; S72-K74 VanDerWaalsContact O-N 3.12Å |
| 75 | N | 85.1 | Confident | 85.1 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -38.7 | -177.5 | -70.5 | -51 | 0 | 0 | 0 | 112.2 | S72 I78 T79 G143 Y144 M145 C200 | S72-N75 PolarHBondContact O-N 3.41Å; S72-N75 VanDerWaalsContact O-N 3.15Å; S72-N75 PolarHBondContact OG-ND2 3.26Å; N75-I78 WeakPolarHBondContact O-CG2 3.36Å; N75-T79 WeakPolarHBondContact O-CB 3.47Å; N75-T79 PolarHBondContact O-N 2.69Å; N75-T79 VanDerWaalsContact O-N 3.11Å; N75-T79 PolarHBondContact O-OG1 3.06Å; N75-G143 WeakPolarHBondContact OD1-CA 3.26Å; N75-Y144 PolarHBondContact OD1-N 2.9Å; N75-M145 HydrophobicContact CB-CB 3.97Å; N75-M145 HydrophobicContact CB-CG 3.89Å; N75-M145 PolarHBondContact OD1-N 3.44Å; N75-M145 VanDerWaalsContact OD1-N 3.13Å; N75-C200 PolarHBondContact ND2-O 2.99Å |
| 76 | F | 88.4 | Confident | 85.8 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 23% | 0.232 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -50.9 | -170.4 | 177.1 | -97.5 | 0 | 0 | 0 | 114.1 | V57 V71 S72 W73 I78 T79 F80 I201 | V57-F76 HydrophobicContact CG2-CD1 4.49Å; V57-F76 HydrophobicContact CG2-CE1 3.99Å; V71-F76 HydrophobicContact CG2-CB 4.33Å; V71-F76 HydrophobicContact CG2-CD2 4.44Å; V71-F76 HydrophobicContact CG2-CG 4.23Å; S72-F76 VanDerWaalsContact O-CB 3.29Å; S72-F76 WeakPolarHBondContact O-CB 3.32Å; S72-F76 PolarHBondContact O-N 3.49Å; W73-F76 HydrophobicContact CE3-CD1 4.32Å; W73-F76 HydrophobicContact CH2-CD1 4.18Å; W73-F76 HydrophobicContact CH2-CE1 4.32Å; W73-F76 AromaticContact CZ3-CD1 3.83Å; W73-F76 HydrophobicContact CZ3-CD1 3.83Å; W73-F76 HydrophobicContact CZ3-CE1 4.2Å; F76-I78 PolarHBondContact O-N 3.38Å; F76-T79 PolarHBondContact O-N 3.41Å; F76-F80 WeakPolarHBondContact O-CB 3.2Å; F76-F80 PolarHBondContact O-N 2.98Å; F76-I201 HydrophobicContact CB-CG2 4.32Å; F76-I201 HydrophobicContact CD2-CG2 4.14Å |
| 77 | P | 90.5 | Very high | 86.5 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | -175.5 | -23.9 | 35.9 | 0 | 0 | 0 | 113.3 | V57 W73 F80 A81 | V57-P77 HydrophobicContact CG1-CB 4.16Å; W73-P77 HydrophobicContact CD2-CG 4.27Å; W73-P77 HydrophobicContact CG-CG 4.4Å; W73-P77 HydrophobicContact CZ2-CG 4.4Å; W73-P77 WeakPolarHBondContact O-CD 3.3Å; W73-P77 WeakPolarHBondContact O-CG 3.4Å; P77-F80 PolarHBondContact O-N 3.02Å; P77-A81 VanDerWaalsContact O-CB 3.3Å; P77-A81 WeakPolarHBondContact O-CB 3.41Å; P77-A81 PolarHBondContact O-N 3.41Å |
| 78 | I | 90.6 | Very high | 87.6 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.7 | -41.1 | 178.1 | -178.9 | 156.4 | 0 | 0 | 0 | 111.8 | N75 F76 F80 A81 C82 S134 M145 A146 L151 | N75-I78 WeakPolarHBondContact O-CG2 3.36Å; F76-I78 PolarHBondContact O-N 3.38Å; I78-F80 VanDerWaalsContact C-N 3.35Å; I78-A81 PolarHBondContact O-N 2.89Å; I78-C82 WeakPolarHBondContact O-CB 3.26Å; I78-C82 PolarHBondContact O-N 3.49Å; I78-S134 WeakPolarHBondContact CD1-O 3.1Å; I78-M145 HydrophobicContact CG2-CB 3.98Å; I78-A146 HydrophobicContact CD1-CB 3.84Å; I78-L151 HydrophobicContact CD1-CD2 4.46Å; I78-L151 HydrophobicContact CG1-CD2 4.2Å |
| 79 | T | 91.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 111 | N75 F76 C82 Y83 M145 V154 I197 I201 | N75-T79 WeakPolarHBondContact O-CB 3.47Å; N75-T79 PolarHBondContact O-N 2.69Å; N75-T79 VanDerWaalsContact O-N 3.11Å; N75-T79 PolarHBondContact O-OG1 3.06Å; F76-T79 PolarHBondContact O-N 3.41Å; T79-C82 PolarHBondContact O-N 3.47Å; T79-Y83 HydrophobicContact CG2-CD2 3.82Å; T79-Y83 HydrophobicContact CG2-CE2 3.69Å; T79-Y83 WeakPolarHBondContact O-CD2 3.3Å; T79-Y83 PolarHBondContact O-N 3.44Å; T79-M145 HydrophobicContact CG2-SD 4.46Å; T79-M145 VanDerWaalsContact OG1-CB 3.22Å; T79-M145 WeakPolarHBondContact OG1-CB 3.44Å; T79-M145 WeakPolarHBondContact OG1-CG 3.32Å; T79-M145 PolarHBondContact OG1-SD 2.9Å; T79-M145 VanDerWaalsContact OG1-SD 3.37Å; T79-V154 HydrophobicContact CG2-CG2 3.92Å; T79-I197 HydrophobicContact CG2-CG2 3.99Å; T79-I201 HydrophobicContact CG2-CD1 4Å |
| 80 | F | 93.4 | Very high | 89.4 | Confident | 17 Ų | 17 | 31 Ų | 31 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 176.7 | 178.3 | -93.7 | 0 | 0 | 0 | 111.4 | F49 G53 T54 V57 F76 P77 I78 C82 Y83 A84 | F49-F80 HydrophobicContact CD1-CE2 4.18Å; F49-F80 HydrophobicContact CE1-CD2 4.32Å; F49-F80 AromaticContact CE1-CE2 3.6Å; F49-F80 HydrophobicContact CE1-CE2 3.6Å; F49-F80 HydrophobicContact CE1-CZ 4.46Å; F49-F80 HydrophobicContact CZ-CE2 4.01Å; G53-F80 VanDerWaalsContact C-CE1 3.44Å; G53-F80 VanDerWaalsContact C-CZ 3.48Å; T54-F80 VanDerWaalsContact N-CE1 3.35Å; V57-F80 HydrophobicContact CG2-CD1 4.39Å; F76-F80 WeakPolarHBondContact O-CB 3.2Å; F76-F80 PolarHBondContact O-N 2.98Å; P77-F80 PolarHBondContact O-N 3.02Å; I78-F80 VanDerWaalsContact C-N 3.35Å; F80-C82 VanDerWaalsContact C-N 3.25Å; F80-C82 PolarHBondContact O-N 3.46Å; F80-Y83 PolarHBondContact O-N 2.86Å; F80-A84 HydrophobicContact CE1-CB 4.12Å; F80-A84 HydrophobicContact CZ-CB 4.34Å; F80-A84 WeakPolarHBondContact O-CB 3.5Å; F80-A84 PolarHBondContact O-N 3.33Å |
| 81 | A | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.4 | -37.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | P77 I78 A84 S85 Y127 E130 V131 | P77-A81 VanDerWaalsContact O-CB 3.3Å; P77-A81 WeakPolarHBondContact O-CB 3.41Å; P77-A81 PolarHBondContact O-N 3.41Å; I78-A81 PolarHBondContact O-N 2.89Å; A81-A84 PolarHBondContact O-N 2.85Å; A81-S85 WeakPolarHBondContact O-CB 3.44Å; A81-S85 PolarHBondContact O-N 3.33Å; A81-Y127 HydrophobicContact CB-CD1 4.45Å; A81-E130 HydrophobicContact CB-CB 4.27Å; A81-E130 HydrophobicContact CB-CG 3.97Å; A81-V131 HydrophobicContact CB-CG2 3.85Å |
| 82 | C | 94.3 | Very high | 91 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 5% | 0.054 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.4 | -48.4 | 175.1 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | I78 T79 F80 A84 S85 L86 V131 L151 V154 | I78-C82 WeakPolarHBondContact O-CB 3.26Å; I78-C82 PolarHBondContact O-N 3.49Å; T79-C82 PolarHBondContact O-N 3.47Å; F80-C82 VanDerWaalsContact C-N 3.25Å; F80-C82 PolarHBondContact O-N 3.46Å; C82-A84 PolarHBondContact O-N 3.22Å; C82-S85 PolarHBondContact O-N 2.92Å; C82-S85 PolarHBondContact O-OG 3.45Å; C82-L86 WeakPolarHBondContact O-CG 3.27Å; C82-L86 PolarHBondContact O-N 3.27Å; C82-L86 VanDerWaalsContact O-N 3.13Å; C82-V131 HydrophobicContact CB-CG2 3.98Å; C82-L151 HydrophobicContact CB-CD2 4.07Å; C82-V154 HydrophobicContact CB-CB 4.49Å; C82-V154 HydrophobicContact CB-CG1 3.9Å; C82-V154 WeakPolarHBondContact SG-CG1 3.43Å |
| 83 | Y | 94.7 | Very high | 91.5 | Very high | 55 Ų | 55 | 27.2 Ų | 27.2 | 22% | 0.216 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 173.6 | -82.1 | -63.8 | 0 | 0 | 0 | 112.5 | T79 F80 S85 L86 L87 V154 T157 F158 I197 | T79-Y83 HydrophobicContact CG2-CD2 3.82Å; T79-Y83 HydrophobicContact CG2-CE2 3.69Å; T79-Y83 WeakPolarHBondContact O-CD2 3.3Å; T79-Y83 PolarHBondContact O-N 3.44Å; F80-Y83 PolarHBondContact O-N 2.86Å; Y83-S85 VanDerWaalsContact C-N 3.31Å; Y83-S85 PolarHBondContact O-N 3.14Å; Y83-L86 PolarHBondContact O-N 3.15Å; Y83-L87 WeakPolarHBondContact O-CB 3.33Å; Y83-L87 VanDerWaalsContact O-CG 3.29Å; Y83-L87 WeakPolarHBondContact O-CG 3.29Å; Y83-L87 PolarHBondContact O-N 2.9Å; Y83-V154 HydrophobicContact CD1-CG1 3.8Å; Y83-V154 HydrophobicContact CD2-CG1 3.88Å; Y83-V154 HydrophobicContact CE1-CG1 3.75Å; Y83-V154 HydrophobicContact CE2-CG1 3.84Å; Y83-V154 HydrophobicContact CE2-CG2 4.31Å; Y83-V154 HydrophobicContact CG-CG1 3.86Å; Y83-T157 PolarHBondContact OH-OG1 2.94Å; Y83-F158 HydrophobicContact CE1-CB 4.49Å; Y83-I197 WeakPolarHBondContact OH-CD1 3.48Å |
| 84 | A | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | S50 F80 A81 C82 C88 Y127 | S50-A84 WeakPolarHBondContact OG-CA 3.1Å; S50-A84 WeakPolarHBondContact OG-CB 3.39Å; F80-A84 HydrophobicContact CE1-CB 4.12Å; F80-A84 HydrophobicContact CZ-CB 4.34Å; F80-A84 WeakPolarHBondContact O-CB 3.5Å; F80-A84 PolarHBondContact O-N 3.33Å; A81-A84 PolarHBondContact O-N 2.85Å; C82-A84 PolarHBondContact O-N 3.22Å; A84-C88 WeakPolarHBondContact O-CB 3.13Å; A84-C88 PolarHBondContact O-N 3.08Å; A84-C88 PolarHBondContact O-SG 2.79Å; A84-Y127 HydrophobicContact CB-CD1 3.78Å; A84-Y127 HydrophobicContact CB-CD2 3.93Å; A84-Y127 HydrophobicContact CB-CE1 3.64Å; A84-Y127 HydrophobicContact CB-CE2 3.82Å; A84-Y127 HydrophobicContact CB-CG 3.93Å |
| 85 | S | 95.8 | Very high | 92.1 | Very high | 11 Ų | 11 | 20 Ų | 20 | 8% | 0.077 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 173.7 | 78.2 | 0 | 0 | 0 | 0 | 111.9 | A81 C82 Y83 L89 Y127 | A81-S85 WeakPolarHBondContact O-CB 3.44Å; A81-S85 PolarHBondContact O-N 3.33Å; C82-S85 PolarHBondContact O-N 2.92Å; C82-S85 PolarHBondContact O-OG 3.45Å; Y83-S85 VanDerWaalsContact C-N 3.31Å; Y83-S85 PolarHBondContact O-N 3.14Å; S85-L89 WeakPolarHBondContact O-CB 3.41Å; S85-L89 PolarHBondContact O-N 3.35Å; S85-Y127 VanDerWaalsContact CB-CB 3.5Å |
| 86 | L | 94.7 | Very high | 92.1 | Very high | 26 Ų | 26 | 21.1 Ų | 21.1 | 14% | 0.136 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -71.5 | -40.8 | -178.2 | -69.1 | 172.3 | 0 | 0 | 0 | 111.8 | C82 Y83 L89 S90 V154 F158 | C82-L86 WeakPolarHBondContact O-CG 3.27Å; C82-L86 PolarHBondContact O-N 3.27Å; C82-L86 VanDerWaalsContact O-N 3.13Å; Y83-L86 PolarHBondContact O-N 3.15Å; L86-L89 PolarHBondContact O-N 3.22Å; L86-S90 WeakPolarHBondContact O-CB 3.24Å; L86-S90 PolarHBondContact O-N 2.87Å; L86-S90 PolarHBondContact O-OG 3.44Å; L86-V154 HydrophobicContact CD1-CG1 4.13Å; L86-F158 HydrophobicContact CB-CB 4.46Å; L86-F158 HydrophobicContact CB-CD1 3.66Å; L86-F158 HydrophobicContact CB-CD2 3.75Å; L86-F158 HydrophobicContact CB-CE1 3.73Å; L86-F158 HydrophobicContact CB-CE2 3.83Å; L86-F158 HydrophobicContact CB-CG 3.67Å; L86-F158 HydrophobicContact CB-CZ 3.82Å; L86-F158 HydrophobicContact CD1-CB 3.63Å; L86-F158 HydrophobicContact CD1-CD1 4.05Å; L86-F158 HydrophobicContact CD1-CD2 4.4Å; L86-F158 HydrophobicContact CD1-CG 3.76Å; L86-F158 HydrophobicContact CD2-CD1 4.23Å; L86-F158 HydrophobicContact CG-CD1 4.2Å; L86-F158 HydrophobicContact CG-CG 4.25Å; L86-F158 WeakPolarHBondContact O-CZ 3.23Å |
| 87 | L | 94.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 21.7 Ų | 21.7 | 7% | 0.068 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.8 | -50.4 | 172.8 | -74 | 167.4 | 0 | 0 | 0 | 110.8 | W42 C46 F49 Y83 L89 S90 A91 F158 | W42-L87 HydrophobicContact CH2-CD2 4.43Å; W42-L87 HydrophobicContact CZ2-CD2 4.14Å; C46-L87 HydrophobicContact CB-CB 4Å; C46-L87 HydrophobicContact CB-CD2 4.48Å; C46-L87 VanDerWaalsContact SG-CD2 3.57Å; F49-L87 HydrophobicContact CD1-CD1 3.62Å; F49-L87 HydrophobicContact CE1-CD1 4.1Å; Y83-L87 WeakPolarHBondContact O-CB 3.33Å; Y83-L87 VanDerWaalsContact O-CG 3.29Å; Y83-L87 WeakPolarHBondContact O-CG 3.29Å; Y83-L87 PolarHBondContact O-N 2.9Å; L87-L89 PolarHBondContact O-N 2.93Å; L87-S90 PolarHBondContact O-N 3.18Å; L87-S90 PolarHBondContact O-OG 3.36Å; L87-A91 PolarHBondContact O-N 2.94Å; L87-F158 HydrophobicContact CD2-CE2 3.83Å; L87-F158 HydrophobicContact CG-CE2 4Å |
| 88 | C | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 177.4 | -67.5 | 0 | 0 | 0 | 0 | 112 | S50 A84 S90 A91 S92 S120 A123 T124 | S50-C88 PolarHBondContact OG-SG 2.98Å; A84-C88 WeakPolarHBondContact O-CB 3.13Å; A84-C88 PolarHBondContact O-N 3.08Å; A84-C88 PolarHBondContact O-SG 2.79Å; C88-S90 VanDerWaalsContact C-N 3.35Å; C88-S90 PolarHBondContact O-N 2.93Å; C88-A91 PolarHBondContact O-N 3.25Å; C88-S92 WeakPolarHBondContact O-CB 3.49Å; C88-S92 PolarHBondContact O-N 3.32Å; C88-S92 PolarHBondContact O-OG 3.28Å; C88-S120 PolarHBondContact O-OG 3.34Å; C88-A123 HydrophobicContact CB-CB 4.49Å; C88-T124 VanDerWaalsContact CB-OG1 3.28Å; C88-T124 WeakPolarHBondContact CB-OG1 3.4Å; C88-T124 PolarHBondContact O-OG1 3.29Å |
| 89 | L | 94.9 | Very high | 90.8 | Very high | 75 Ų | 75 | 23.5 Ų | 23.5 | 39% | 0.393 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.2 | 179.5 | 57.9 | 0 | 0 | 0 | 110.6 | S85 L86 L87 S92 I93 T124 | S85-L89 WeakPolarHBondContact O-CB 3.41Å; S85-L89 PolarHBondContact O-N 3.35Å; L86-L89 PolarHBondContact O-N 3.22Å; L87-L89 PolarHBondContact O-N 2.93Å; L89-S92 WeakPolarHBondContact O-CB 3.34Å; L89-S92 PolarHBondContact O-N 3.29Å; L89-I93 HydrophobicContact CD1-CD1 4.08Å; L89-I93 HydrophobicContact CG-CD1 4.21Å; L89-I93 WeakPolarHBondContact O-CG1 3.42Å; L89-I93 PolarHBondContact O-N 3.43Å; L89-I93 VanDerWaalsContact O-N 3.14Å; L89-T124 HydrophobicContact CB-CG2 3.69Å; L89-T124 HydrophobicContact CD1-CG2 4.12Å; L89-T124 HydrophobicContact CG-CG2 4.4Å; L89-T124 PolarHBondContact N-OG1 3.24Å; L89-T124 VanDerWaalsContact N-OG1 3.16Å |
| 90 | S | 92.1 | Very high | 90.2 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 8% | 0.077 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 177.6 | 77 | 0 | 0 | 0 | 0 | 111.9 | L86 L87 C88 S92 I93 I94 | L86-S90 WeakPolarHBondContact O-CB 3.24Å; L86-S90 PolarHBondContact O-N 2.87Å; L86-S90 PolarHBondContact O-OG 3.44Å; L87-S90 PolarHBondContact O-N 3.18Å; L87-S90 PolarHBondContact O-OG 3.36Å; C88-S90 VanDerWaalsContact C-N 3.35Å; C88-S90 PolarHBondContact O-N 2.93Å; S90-S92 VanDerWaalsContact C-N 3.31Å; S90-S92 PolarHBondContact O-N 2.94Å; S90-I93 PolarHBondContact O-N 3.41Å; S90-I94 VanDerWaalsContact O-CB 3.31Å; S90-I94 WeakPolarHBondContact O-CB 3.34Å; S90-I94 VanDerWaalsContact O-CG1 3.22Å; S90-I94 WeakPolarHBondContact O-CG1 3.3Å; S90-I94 PolarHBondContact O-N 3.29Å |
| 91 | A | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C43 C46 W47 L87 C88 I93 I94 F95 | C43-A91 HydrophobicContact CB-CB 4.25Å; C46-A91 HydrophobicContact CB-CB 4.04Å; W47-A91 HydrophobicContact CZ2-CB 4.05Å; L87-A91 PolarHBondContact O-N 2.94Å; C88-A91 PolarHBondContact O-N 3.25Å; A91-I93 PolarHBondContact O-N 2.8Å; A91-I94 PolarHBondContact O-N 3.18Å; A91-F95 WeakPolarHBondContact O-CB 3.36Å; A91-F95 PolarHBondContact O-N 2.99Å |
| 92 | S | 92.8 | Very high | 87.7 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -26 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | C88 L89 S90 P96 S120 C121 T124 | C88-S92 WeakPolarHBondContact O-CB 3.49Å; C88-S92 PolarHBondContact O-N 3.32Å; C88-S92 PolarHBondContact O-OG 3.28Å; L89-S92 WeakPolarHBondContact O-CB 3.34Å; L89-S92 PolarHBondContact O-N 3.29Å; S90-S92 VanDerWaalsContact C-N 3.31Å; S90-S92 PolarHBondContact O-N 2.94Å; S92-P96 WeakPolarHBondContact O-CD 3.34Å; S92-P96 WeakPolarHBondContact O-CG 3.34Å; S92-S120 PolarHBondContact N-OG 3.37Å; S92-S120 WeakPolarHBondContact OG-CB 3.35Å; S92-S120 PolarHBondContact OG-O 2.91Å; S92-S120 PolarHBondContact OG-OG 3.1Å; S92-C121 PolarHBondContact OG-N 2.97Å; S92-T124 PolarHBondContact OG-OG1 3.38Å |
| 93 | I | 89.8 | Confident | 86.4 | Confident | 92 Ų | 92 | 34.7 Ų | 34.7 | 47% | 0.472 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -91.1 | -47.4 | 176.9 | -63.9 | 166.7 | 0 | 0 | 0 | 110.5 | L89 S90 A91 P96 L97 | L89-I93 HydrophobicContact CD1-CD1 4.08Å; L89-I93 HydrophobicContact CG-CD1 4.21Å; L89-I93 WeakPolarHBondContact O-CG1 3.42Å; L89-I93 PolarHBondContact O-N 3.43Å; L89-I93 VanDerWaalsContact O-N 3.14Å; S90-I93 PolarHBondContact O-N 3.41Å; A91-I93 PolarHBondContact O-N 2.8Å; I93-P96 WeakPolarHBondContact O-CD 3.22Å; I93-P96 WeakPolarHBondContact O-CG 3.08Å; I93-L97 HydrophobicContact CG2-CD1 3.91Å; I93-L97 WeakPolarHBondContact O-CD1 3.28Å; I93-L97 WeakPolarHBondContact O-CG 3.49Å |
| 94 | I | 87.4 | Confident | 84.7 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.6 | -44.6 | -172.6 | -67.6 | 169.3 | 0 | 0 | 0 | 111 | T39 S90 A91 L97 Y98 | T39-I94 HydrophobicContact CG2-CG2 3.16Å; S90-I94 VanDerWaalsContact O-CB 3.31Å; S90-I94 WeakPolarHBondContact O-CB 3.34Å; S90-I94 VanDerWaalsContact O-CG1 3.22Å; S90-I94 WeakPolarHBondContact O-CG1 3.3Å; S90-I94 PolarHBondContact O-N 3.29Å; A91-I94 PolarHBondContact O-N 3.18Å; I94-L97 PolarHBondContact O-N 2.88Å; I94-Y98 HydrophobicContact CG2-CD2 4.02Å; I94-Y98 HydrophobicContact CG2-CE2 4.3Å; I94-Y98 WeakPolarHBondContact O-CD2 3.43Å; I94-Y98 PolarHBondContact O-N 3.46Å; I94-Y98 VanDerWaalsContact O-N 3.17Å |
| 95 | F | 87.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -51.1 | -176 | -168.3 | -92.7 | 0 | 0 | 0 | 113.5 | T29 A33 L35 C43 W47 A91 L97 Y98 F99 R113 A116 T117 | T29-F95 HydrophobicContact CG2-CE2 3.94Å; T29-F95 HydrophobicContact CG2-CZ 4.19Å; A33-F95 HydrophobicContact CB-CZ 4.22Å; L35-F95 HydrophobicContact CD2-CE2 3.64Å; L35-F95 HydrophobicContact CD2-CZ 4.04Å; C43-F95 HydrophobicContact CB-CD2 3.92Å; W47-F95 HydrophobicContact CH2-CB 4.44Å; W47-F95 HydrophobicContact CH2-CD1 4.43Å; W47-F95 AromaticContact CH2-CD2 3.56Å; W47-F95 HydrophobicContact CH2-CD2 3.56Å; W47-F95 AromaticContact CH2-CE2 3.74Å; W47-F95 HydrophobicContact CH2-CE2 3.74Å; W47-F95 AromaticContact CH2-CG 3.91Å; W47-F95 HydrophobicContact CH2-CG 3.91Å; W47-F95 HydrophobicContact CH2-CZ 4.26Å; W47-F95 HydrophobicContact CZ2-CD2 4.44Å; W47-F95 HydrophobicContact CZ2-CG 4.45Å; W47-F95 HydrophobicContact CZ3-CD2 4.27Å; W47-F95 HydrophobicContact CZ3-CE2 4.16Å; A91-F95 WeakPolarHBondContact O-CB 3.36Å; A91-F95 PolarHBondContact O-N 2.99Å; F95-L97 VanDerWaalsContact C-N 3.32Å; F95-L97 PolarHBondContact O-N 3.11Å; F95-Y98 PolarHBondContact O-N 2.99Å; F95-F99 AromaticContact CD2-CD2 3.67Å; F95-F99 HydrophobicContact CD2-CD2 3.67Å; F95-F99 HydrophobicContact CD2-CE2 4.07Å; F95-F99 HydrophobicContact CE1-CB 4.42Å; F95-F99 AromaticContact CE2-CD2 3.84Å; F95-F99 HydrophobicContact CE2-CD2 3.84Å; F95-F99 HydrophobicContact CE2-CE2 4.24Å; F95-F99 HydrophobicContact CE2-CG 4.44Å; F95-F99 HydrophobicContact CG-CD2 4.09Å; F95-F99 HydrophobicContact CZ-CD2 4.36Å; F95-F99 WeakPolarHBondContact O-CB 3.18Å; F95-F99 WeakPolarHBondContact O-CD2 3.14Å; F95-F99 PolarHBondContact O-N 3.13Å; F95-R113 HydrophobicContact CE1-CB 3.77Å; F95-R113 HydrophobicContact CE1-CG 3.9Å; F95-R113 WeakPolarHBondContact CE1-O 3.38Å; F95-R113 HydrophobicContact CZ-CB 4.34Å; F95-R113 HydrophobicContact CZ-CG 3.98Å; F95-A116 HydrophobicContact CE1-CB 4.27Å; F95-A116 HydrophobicContact CZ-CB 4.44Å; F95-T117 WeakPolarHBondContact CD1-OG1 3.3Å |
| 96 | P | 86 | Confident | 82 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 21% | 0.208 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 177.1 | 24.1 | -34 | 0 | 0 | 0 | 113.2 | S92 I93 Y98 L100 K101 T117 | S92-P96 WeakPolarHBondContact O-CD 3.34Å; S92-P96 WeakPolarHBondContact O-CG 3.34Å; I93-P96 WeakPolarHBondContact O-CD 3.22Å; I93-P96 WeakPolarHBondContact O-CG 3.08Å; P96-Y98 VanDerWaalsContact C-N 3.28Å; P96-Y98 PolarHBondContact O-N 3.37Å; P96-L100 HydrophobicContact CB-CB 4.3Å; P96-L100 HydrophobicContact CB-CD1 3.87Å; P96-L100 WeakPolarHBondContact O-CA 3.31Å; P96-L100 WeakPolarHBondContact O-CB 3.3Å; P96-L100 PolarHBondContact O-N 3.19Å; P96-K101 PolarHBondContact O-N 2.98Å; P96-T117 HydrophobicContact CB-CG2 4.3Å; P96-T117 HydrophobicContact CG-CG2 4Å |
| 97 | L | 83.6 | Confident | 81.2 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 34% | 0.335 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.4 | -32.2 | 179 | -72.9 | 173.8 | 0 | 0 | 0 | 113.1 | I93 I94 F95 K101 G257 | I93-L97 HydrophobicContact CG2-CD1 3.91Å; I93-L97 WeakPolarHBondContact O-CD1 3.28Å; I93-L97 WeakPolarHBondContact O-CG 3.49Å; I94-L97 PolarHBondContact O-N 2.88Å; F95-L97 VanDerWaalsContact C-N 3.32Å; F95-L97 PolarHBondContact O-N 3.11Å; L97-K101 HydrophobicContact CD2-CD 4.33Å; L97-K101 WeakPolarHBondContact O-CB 3.36Å; L97-G257 PolarHBondContact O-N 3.48Å |
| 98 | Y | 79.9 | Confident | 80.6 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -97.1 | -31.1 | -179.2 | -82.6 | -96.9 | 0 | 0 | 0 | 113.8 | T39 I94 F95 P96 L258 R263 | T39-Y98 HydrophobicContact CG2-CD1 4.22Å; T39-Y98 HydrophobicContact CG2-CD2 3.76Å; T39-Y98 HydrophobicContact CG2-CE1 4.45Å; T39-Y98 HydrophobicContact CG2-CE2 3.99Å; T39-Y98 HydrophobicContact CG2-CG 3.87Å; I94-Y98 HydrophobicContact CG2-CD2 4.02Å; I94-Y98 HydrophobicContact CG2-CE2 4.3Å; I94-Y98 WeakPolarHBondContact O-CD2 3.43Å; I94-Y98 PolarHBondContact O-N 3.46Å; I94-Y98 VanDerWaalsContact O-N 3.17Å; F95-Y98 PolarHBondContact O-N 2.99Å; P96-Y98 VanDerWaalsContact C-N 3.28Å; P96-Y98 PolarHBondContact O-N 3.37Å; Y98-L258 HydrophobicContact CE2-CD1 3.83Å; Y98-L258 HydrophobicContact CE2-CG 4.23Å; Y98-L258 PolarHBondContact OH-N 2.96Å; Y98-R263 PolarHBondContact OH-NH2 3.03Å |
| 99 | F | 79.3 | Confident | 80 | Confident | 12 Ų | 12 | 66.5 Ų | 66.5 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -114.6 | -14.7 | -170.6 | -63.3 | -74.2 | 0 | 0 | 0 | 115 | L35 F95 Q103 R113 | L35-F99 HydrophobicContact CB-CE1 4.41Å; L35-F99 HydrophobicContact CB-CZ 4.44Å; L35-F99 HydrophobicContact CD2-CD1 3.92Å; L35-F99 HydrophobicContact CD2-CD2 4.19Å; L35-F99 HydrophobicContact CD2-CE1 3.67Å; L35-F99 HydrophobicContact CD2-CE2 3.96Å; L35-F99 HydrophobicContact CD2-CG 4.18Å; L35-F99 HydrophobicContact CD2-CZ 3.69Å; F95-F99 AromaticContact CD2-CD2 3.67Å; F95-F99 HydrophobicContact CD2-CD2 3.67Å; F95-F99 HydrophobicContact CD2-CE2 4.07Å; F95-F99 HydrophobicContact CE1-CB 4.42Å; F95-F99 AromaticContact CE2-CD2 3.84Å; F95-F99 HydrophobicContact CE2-CD2 3.84Å; F95-F99 HydrophobicContact CE2-CE2 4.24Å; F95-F99 HydrophobicContact CE2-CG 4.44Å; F95-F99 HydrophobicContact CG-CD2 4.09Å; F95-F99 HydrophobicContact CZ-CD2 4.36Å; F95-F99 WeakPolarHBondContact O-CB 3.18Å; F95-F99 WeakPolarHBondContact O-CD2 3.14Å; F95-F99 PolarHBondContact O-N 3.13Å; F99-Q103 PolarHBondContact O-OE1 2.68Å; F99-R113 HydrophobicContact CB-CG 4.48Å; F99-R113 PolarHBondContact O-NH1 2.84Å |
| 100 | L | 78.7 | Confident | 79.4 | Confident | 36 Ų | 36 | 64.6 Ų | 64.6 | 19% | 0.188 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -31.6 | 179 | -70 | 167.8 | 0 | 0 | 0 | 112.8 | P96 G102 Q103 Q110 R113 I114 | P96-L100 HydrophobicContact CB-CB 4.3Å; P96-L100 HydrophobicContact CB-CD1 3.87Å; P96-L100 WeakPolarHBondContact O-CA 3.31Å; P96-L100 WeakPolarHBondContact O-CB 3.3Å; P96-L100 PolarHBondContact O-N 3.19Å; L100-G102 PolarHBondContact O-N 3.48Å; L100-Q103 PolarHBondContact O-N 3.16Å; L100-Q110 HydrophobicContact CD2-CG 3.87Å; L100-R113 HydrophobicContact CD2-CB 3.78Å; L100-R113 HydrophobicContact CG-CB 4.14Å; L100-I114 HydrophobicContact CD1-CG1 4.21Å; L100-I114 HydrophobicContact CD2-CG1 3.81Å |
| 101 | K | 72.9 | Confident | 79.1 | Confident | 91 Ų | 91 | 68 Ų | 68 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 124.7 | 179.3 | -168.9 | 179.1 | 178.6 | -177.4 | 0 | 111.3 | P96 L97 | P96-K101 PolarHBondContact O-N 2.98Å; L97-K101 HydrophobicContact CD2-CD 4.33Å; L97-K101 WeakPolarHBondContact O-CB 3.36Å |
| 102 | G | 62.1 | Low | 78.9 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 2.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L100 | L100-G102 PolarHBondContact O-N 3.48Š|
| 103 | Q | 65.7 | Low | 78.7 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 33% | 0.332 | 36% | 0.364 | S | S | . | . | trans | -79.7 | 121.1 | 170.9 | -88.6 | -170.8 | -27 | 0 | 0 | 111.3 | F99 L100 R113 | F99-Q103 PolarHBondContact O-OE1 2.68Å; L100-Q103 PolarHBondContact O-N 3.16Å; Q103-R113 VanDerWaalsContact NE2-NH1 3.12Å | ||
| 104 | T | 60.9 | Low | 78.7 | Confident | 147 Ų | 147 | 72.2 Ų | 72.2 | 90% | 0.902 | 36% | 0.359 | S | S | * | . | trans | -98.8 | -14.3 | -179.5 | -30.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 105 | Y | 64.8 | Low | 78.9 | Confident | 192 Ų | 192 | 73.7 Ų | 73.7 | 75% | 0.753 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -110.7 | 133.4 | -175.9 | -164.3 | -94.8 | 0 | 0 | 0 | 112 | S107 | Y105-S107 PolarHBondContact O-N 3.26Š|
| 106 | R | 67.8 | Low | 79.2 | Confident | 207 Ų | 207 | 73.7 Ų | 73.7 | 78% | 0.781 | 37% | 0.369 | S | S | * | . | trans | -81.4 | 110.2 | 179.1 | -171.5 | 178.9 | -97.9 | 174.9 | -7.1 | 109.7 | ||||
| 107 | S | 78.9 | Confident | 79.5 | Confident | 33 Ų | 33 | 73 Ų | 73 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | trans | -121.1 | 158.7 | 177 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | Y105 T109 Q110 N111 | Y105-S107 PolarHBondContact O-N 3.26Å; S107-T109 WeakPolarHBondContact CB-OG1 3.43Å; S107-T109 PolarHBondContact O-N 2.95Å; S107-T109 PolarHBondContact OG-OG1 3.07Å; S107-Q110 VanDerWaalsContact O-CB 3.26Å; S107-Q110 WeakPolarHBondContact O-CB 3.4Å; S107-Q110 PolarHBondContact O-N 3.09Å; S107-Q110 PolarHBondContact OG-N 3.33Å; S107-N111 PolarHBondContact O-N 2.62Å | ||
| 108 | E | 80.8 | Confident | 80.1 | Confident | 147 Ų | 147 | 73.5 Ų | 73.5 | 69% | 0.687 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -57.8 | -34.5 | 173.1 | -64.5 | -163.5 | 146.9 | 0 | 0 | 112.1 | Q110 N111 Y112 | E108-Q110 VanDerWaalsContact C-N 3.26Å; E108-Q110 PolarHBondContact O-N 3.27Å; E108-N111 WeakPolarHBondContact O-CB 3.18Å; E108-N111 PolarHBondContact O-N 3.39Å; E108-N111 VanDerWaalsContact O-N 3.11Å; E108-Y112 HydrophobicContact CB-CE2 4.41Å; E108-Y112 WeakPolarHBondContact O-CD2 3.22Å; E108-Y112 PolarHBondContact O-N 3.01Å; E108-Y112 VanDerWaalsContact O-N 3.12Å |
| 109 | T | 82.1 | Confident | 80.8 | Confident | 46 Ų | 46 | 74.3 Ų | 74.3 | 28% | 0.282 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -32.9 | 173.2 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | S107 R113 | S107-T109 WeakPolarHBondContact CB-OG1 3.43Å; S107-T109 PolarHBondContact O-N 2.95Å; S107-T109 PolarHBondContact OG-OG1 3.07Å; T109-R113 WeakPolarHBondContact O-CD 3.22Å; T109-R113 VanDerWaalsContact O-CG 3.26Å; T109-R113 WeakPolarHBondContact O-CG 3.39Å; T109-R113 PolarHBondContact O-N 3.46Å; T109-R113 VanDerWaalsContact O-N 3.09Å |
| 110 | Q | 82.8 | Confident | 81.6 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 174.5 | -167.7 | -173.2 | 22.4 | 0 | 0 | 111 | L100 S107 E108 Y112 R113 I114 | L100-Q110 HydrophobicContact CD2-CG 3.87Å; S107-Q110 VanDerWaalsContact O-CB 3.26Å; S107-Q110 WeakPolarHBondContact O-CB 3.4Å; S107-Q110 PolarHBondContact O-N 3.09Å; S107-Q110 PolarHBondContact OG-N 3.33Å; E108-Q110 VanDerWaalsContact C-N 3.26Å; E108-Q110 PolarHBondContact O-N 3.27Å; Q110-Y112 PolarHBondContact O-N 3.2Å; Q110-R113 PolarHBondContact O-N 2.89Å; Q110-I114 HydrophobicContact CG-CD1 4.11Å; Q110-I114 VanDerWaalsContact O-CG1 3.3Å; Q110-I114 WeakPolarHBondContact O-CG1 3.49Å; Q110-I114 PolarHBondContact O-N 3Å |
| 111 | N | 86.6 | Confident | 82.4 | Confident | 83 Ų | 83 | 74.5 Ų | 74.5 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.1 | -66.9 | -24.9 | 0 | 0 | 0 | 110.9 | S107 E108 R113 I114 V115 | S107-N111 PolarHBondContact O-N 2.62Å; E108-N111 WeakPolarHBondContact O-CB 3.18Å; E108-N111 PolarHBondContact O-N 3.39Å; E108-N111 VanDerWaalsContact O-N 3.11Å; N111-R113 VanDerWaalsContact C-N 3.33Å; N111-R113 PolarHBondContact O-N 2.98Å; N111-I114 PolarHBondContact O-N 3.1Å; N111-V115 VanDerWaalsContact O-CG2 3.3Å; N111-V115 WeakPolarHBondContact O-CG2 3.26Å; N111-V115 PolarHBondContact O-N 2.98Å |
| 112 | Y | 87.8 | Confident | 83.5 | Confident | 90 Ų | 90 | 73.2 Ų | 73.2 | 35% | 0.353 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 174.5 | -68.9 | -61.6 | 0 | 0 | 0 | 112.3 | V28 E108 Q110 I114 V115 A116 | V28-Y112 HydrophobicContact CG1-CD1 3.88Å; V28-Y112 HydrophobicContact CG1-CG 4.39Å; V28-Y112 WeakPolarHBondContact CG1-O 3.42Å; E108-Y112 HydrophobicContact CB-CE2 4.41Å; E108-Y112 WeakPolarHBondContact O-CD2 3.22Å; E108-Y112 PolarHBondContact O-N 3.01Å; E108-Y112 VanDerWaalsContact O-N 3.12Å; Q110-Y112 PolarHBondContact O-N 3.2Å; Y112-I114 PolarHBondContact O-N 3.24Å; Y112-V115 PolarHBondContact O-N 3.4Å; Y112-A116 WeakPolarHBondContact O-CB 3.36Å; Y112-A116 PolarHBondContact O-N 2.96Å |
| 113 | R | 88.8 | Confident | 85.1 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 10% | 0.102 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 177.2 | -72.1 | 166.7 | -179.5 | -168.6 | 4 | 113.2 | A33 N34 F95 F99 L100 Q103 T109 Q110 N111 T117 | A33-R113 HydrophobicContact CB-CG 4.02Å; A33-R113 PolarHBondContact O-NE 3.08Å; A33-R113 PolarHBondContact O-NH2 3.39Å; N34-R113 PolarHBondContact O-NH2 3.49Å; N34-R113 VanDerWaalsContact O-NH2 3.12Å; F95-R113 HydrophobicContact CE1-CB 3.77Å; F95-R113 HydrophobicContact CE1-CG 3.9Å; F95-R113 WeakPolarHBondContact CE1-O 3.38Å; F95-R113 HydrophobicContact CZ-CB 4.34Å; F95-R113 HydrophobicContact CZ-CG 3.98Å; F99-R113 HydrophobicContact CB-CG 4.48Å; F99-R113 PolarHBondContact O-NH1 2.84Å; L100-R113 HydrophobicContact CD2-CB 3.78Å; L100-R113 HydrophobicContact CG-CB 4.14Å; Q103-R113 VanDerWaalsContact NE2-NH1 3.12Å; T109-R113 WeakPolarHBondContact O-CD 3.22Å; T109-R113 VanDerWaalsContact O-CG 3.26Å; T109-R113 WeakPolarHBondContact O-CG 3.39Å; T109-R113 PolarHBondContact O-N 3.46Å; T109-R113 VanDerWaalsContact O-N 3.09Å; Q110-R113 PolarHBondContact O-N 2.89Å; N111-R113 VanDerWaalsContact C-N 3.33Å; N111-R113 PolarHBondContact O-N 2.98Å; R113-T117 PolarHBondContact O-N 3.41Å; R113-T117 VanDerWaalsContact O-N 3.08Å; R113-T117 PolarHBondContact O-OG1 3.09Å |
| 114 | I | 89.3 | Confident | 86.6 | Confident | 72 Ų | 72 | 67.1 Ų | 67.1 | 37% | 0.369 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 175.4 | -67.4 | 165.6 | 0 | 0 | 0 | 109.8 | L100 Q110 N111 Y112 A116 T117 V118 | L100-I114 HydrophobicContact CD1-CG1 4.21Å; L100-I114 HydrophobicContact CD2-CG1 3.81Å; Q110-I114 HydrophobicContact CG-CD1 4.11Å; Q110-I114 VanDerWaalsContact O-CG1 3.3Å; Q110-I114 WeakPolarHBondContact O-CG1 3.49Å; Q110-I114 PolarHBondContact O-N 3Å; N111-I114 PolarHBondContact O-N 3.1Å; Y112-I114 PolarHBondContact O-N 3.24Å; I114-A116 VanDerWaalsContact C-N 3.35Å; I114-A116 PolarHBondContact O-N 3.25Å; I114-T117 WeakPolarHBondContact O-CB 3.15Å; I114-T117 PolarHBondContact O-N 3.38Å; I114-T117 VanDerWaalsContact O-N 3.14Å; I114-V118 HydrophobicContact CG2-CG2 4.37Å; I114-V118 WeakPolarHBondContact O-CG2 3.26Å; I114-V118 PolarHBondContact O-N 3.4Å |
| 115 | V | 92.1 | Very high | 88.3 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58 | -47.9 | 178.3 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | V28 N111 Y112 T117 V118 F119 | V28-V115 HydrophobicContact CG1-CB 4.3Å; V28-V115 HydrophobicContact CG1-CG1 4.2Å; V28-V115 HydrophobicContact CG2-CG1 4.11Å; N111-V115 VanDerWaalsContact O-CG2 3.3Å; N111-V115 WeakPolarHBondContact O-CG2 3.26Å; N111-V115 PolarHBondContact O-N 2.98Å; Y112-V115 PolarHBondContact O-N 3.4Å; V115-T117 VanDerWaalsContact C-N 3.29Å; V115-T117 PolarHBondContact O-N 2.69Å; V115-V118 PolarHBondContact O-N 3.3Å; V115-F119 HydrophobicContact CG1-CD2 3.63Å; V115-F119 HydrophobicContact CG1-CE2 3.8Å; V115-F119 WeakPolarHBondContact O-CD2 3.43Å; V115-F119 PolarHBondContact O-N 3.36Å |
| 116 | A | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.6 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V28 T29 W47 F95 Y112 I114 S120 | V28-A116 HydrophobicContact CG1-CB 4.24Å; T29-A116 VanDerWaalsContact OG1-CB 3.3Å; T29-A116 WeakPolarHBondContact OG1-CB 3.48Å; W47-A116 HydrophobicContact CH2-CB 4.29Å; F95-A116 HydrophobicContact CE1-CB 4.27Å; F95-A116 HydrophobicContact CZ-CB 4.44Å; Y112-A116 WeakPolarHBondContact O-CB 3.36Å; Y112-A116 PolarHBondContact O-N 2.96Å; I114-A116 VanDerWaalsContact C-N 3.35Å; I114-A116 PolarHBondContact O-N 3.25Å; A116-S120 VanDerWaalsContact O-CB 3.24Å; A116-S120 WeakPolarHBondContact O-CB 3.26Å; A116-S120 PolarHBondContact O-N 3.24Å |
| 117 | T | 92.9 | Very high | 91.1 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 178 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | F95 P96 R113 I114 V115 S120 C121 | F95-T117 WeakPolarHBondContact CD1-OG1 3.3Å; P96-T117 HydrophobicContact CB-CG2 4.3Å; P96-T117 HydrophobicContact CG-CG2 4Å; R113-T117 PolarHBondContact O-N 3.41Å; R113-T117 VanDerWaalsContact O-N 3.08Å; R113-T117 PolarHBondContact O-OG1 3.09Å; I114-T117 WeakPolarHBondContact O-CB 3.15Å; I114-T117 PolarHBondContact O-N 3.38Å; I114-T117 VanDerWaalsContact O-N 3.14Å; V115-T117 VanDerWaalsContact C-N 3.29Å; V115-T117 PolarHBondContact O-N 2.69Å; T117-S120 WeakPolarHBondContact O-CB 3.49Å; T117-S120 PolarHBondContact O-N 3.07Å; T117-C121 PolarHBondContact O-N 3.11Å; T117-C121 PolarHBondContact O-SG 3.32Å; T117-C121 VanDerWaalsContact O-SG 3.36Å |
| 118 | V | 95.4 | Very high | 91.8 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 178.9 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | I114 V115 S120 C121 L122 | I114-V118 HydrophobicContact CG2-CG2 4.37Å; I114-V118 WeakPolarHBondContact O-CG2 3.26Å; I114-V118 PolarHBondContact O-N 3.4Å; V115-V118 PolarHBondContact O-N 3.3Å; V118-S120 VanDerWaalsContact C-N 3.31Å; V118-S120 PolarHBondContact O-N 3.4Å; V118-C121 WeakPolarHBondContact O-CB 3.01Å; V118-C121 PolarHBondContact O-N 3.21Å; V118-L122 HydrophobicContact CG1-CD1 4.25Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 2.85Å |
| 119 | F | 95.4 | Very high | 92.4 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -32.9 | 177.5 | -84.6 | -81 | 0 | 0 | 0 | 112.6 | F21 V24 A25 V115 L122 A123 | F21-F119 HydrophobicContact CB-CD1 4.24Å; F21-F119 AromaticContact CD1-CD1 3.63Å; F21-F119 HydrophobicContact CD1-CD1 3.63Å; F21-F119 AromaticContact CD1-CE1 3.73Å; F21-F119 HydrophobicContact CD1-CE1 3.73Å; F21-F119 HydrophobicContact CE1-CD1 4.42Å; F21-F119 HydrophobicContact CE1-CE1 4.15Å; F21-F119 HydrophobicContact CG-CD1 4.27Å; V24-F119 HydrophobicContact CB-CD1 3.88Å; V24-F119 HydrophobicContact CB-CD2 4.5Å; V24-F119 HydrophobicContact CB-CE1 4.18Å; V24-F119 HydrophobicContact CB-CG 4.04Å; V24-F119 HydrophobicContact CG1-CB 4.28Å; V24-F119 HydrophobicContact CG1-CD1 3.78Å; V24-F119 HydrophobicContact CG1-CD2 3.56Å; V24-F119 HydrophobicContact CG1-CE1 3.92Å; V24-F119 HydrophobicContact CG1-CE2 3.72Å; V24-F119 HydrophobicContact CG1-CG 3.59Å; V24-F119 HydrophobicContact CG1-CZ 3.89Å; V24-F119 HydrophobicContact CG2-CD1 4.47Å; V24-F119 HydrophobicContact CG2-CE1 4.34Å; A25-F119 HydrophobicContact CB-CB 4.09Å; V115-F119 HydrophobicContact CG1-CD2 3.63Å; V115-F119 HydrophobicContact CG1-CE2 3.8Å; V115-F119 WeakPolarHBondContact O-CD2 3.43Å; V115-F119 PolarHBondContact O-N 3.36Å; F119-L122 HydrophobicContact CD1-CD1 4.37Å; F119-L122 PolarHBondContact O-N 3.08Å; F119-A123 WeakPolarHBondContact O-CB 3.41Å; F119-A123 PolarHBondContact O-N 2.83Å |
| 120 | S | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 170.7 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | W47 C88 S92 A116 T117 V118 A123 T124 | W47-S120 VanDerWaalsContact NE1-CB 3.3Å; W47-S120 PolarHBondContact NE1-OG 3.34Å; C88-S120 PolarHBondContact O-OG 3.34Å; S92-S120 PolarHBondContact N-OG 3.37Å; S92-S120 WeakPolarHBondContact OG-CB 3.35Å; S92-S120 PolarHBondContact OG-O 2.91Å; S92-S120 PolarHBondContact OG-OG 3.1Å; A116-S120 VanDerWaalsContact O-CB 3.24Å; A116-S120 WeakPolarHBondContact O-CB 3.26Å; A116-S120 PolarHBondContact O-N 3.24Å; T117-S120 WeakPolarHBondContact O-CB 3.49Å; T117-S120 PolarHBondContact O-N 3.07Å; V118-S120 VanDerWaalsContact C-N 3.31Å; V118-S120 PolarHBondContact O-N 3.4Å; S120-A123 PolarHBondContact O-N 3.47Å; S120-T124 PolarHBondContact O-N 2.87Å; S120-T124 PolarHBondContact O-OG1 3.22Å |
| 121 | C | 96.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 173.9 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | S92 T117 V118 T124 I125 | S92-C121 PolarHBondContact OG-N 2.97Å; T117-C121 PolarHBondContact O-N 3.11Å; T117-C121 PolarHBondContact O-SG 3.32Å; T117-C121 VanDerWaalsContact O-SG 3.36Å; V118-C121 WeakPolarHBondContact O-CB 3.01Å; V118-C121 PolarHBondContact O-N 3.21Å; C121-T124 VanDerWaalsContact O-CB 3.31Å; C121-T124 WeakPolarHBondContact O-CB 3.39Å; C121-T124 PolarHBondContact O-N 3.41Å; C121-I125 WeakPolarHBondContact O-CG1 3.29Å; C121-I125 PolarHBondContact O-N 3.2Å |
| 122 | L | 96.7 | Very high | 93.4 | Very high | 64 Ų | 64 | 40.5 Ų | 40.5 | 34% | 0.335 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.8 | -41 | 176.6 | -68.3 | 174.7 | 0 | 0 | 0 | 112 | F21 V118 F119 T124 I125 A126 | F21-L122 HydrophobicContact CB-CB 4.42Å; F21-L122 HydrophobicContact CD1-CB 4.45Å; F21-L122 HydrophobicContact CD2-CB 3.66Å; F21-L122 HydrophobicContact CE1-CD1 4.41Å; F21-L122 HydrophobicContact CE2-CB 3.93Å; F21-L122 HydrophobicContact CG-CB 3.94Å; F21-L122 HydrophobicContact CZ-CB 4.43Å; V118-L122 HydrophobicContact CG1-CD1 4.25Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 2.85Å; F119-L122 HydrophobicContact CD1-CD1 4.37Å; F119-L122 PolarHBondContact O-N 3.08Å; L122-T124 VanDerWaalsContact C-N 3.31Å; L122-T124 PolarHBondContact O-N 3.15Å; L122-I125 PolarHBondContact O-N 3.38Å; L122-A126 WeakPolarHBondContact O-CB 3.42Å; L122-A126 PolarHBondContact O-N 2.93Å |
| 123 | A | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | F21 C88 F119 S120 I125 A126 Y127 | F21-A123 HydrophobicContact CB-CB 3.79Å; C88-A123 HydrophobicContact CB-CB 4.49Å; F119-A123 WeakPolarHBondContact O-CB 3.41Å; F119-A123 PolarHBondContact O-N 2.83Å; S120-A123 PolarHBondContact O-N 3.47Å; A123-I125 PolarHBondContact O-N 3.15Å; A123-A126 PolarHBondContact O-N 2.73Å; A123-Y127 HydrophobicContact CB-CE2 4.48Å; A123-Y127 WeakPolarHBondContact O-CD2 3.35Å; A123-Y127 PolarHBondContact O-N 2.74Å |
| 124 | T | 95.9 | Very high | 93.3 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.1 | -49.6 | 175 | -56 | 0 | 0 | 0 | 0 | 111.4 | C88 L89 S92 S120 C121 L122 A126 Y127 I128 | C88-T124 VanDerWaalsContact CB-OG1 3.28Å; C88-T124 WeakPolarHBondContact CB-OG1 3.4Å; C88-T124 PolarHBondContact O-OG1 3.29Å; L89-T124 HydrophobicContact CB-CG2 3.69Å; L89-T124 HydrophobicContact CD1-CG2 4.12Å; L89-T124 HydrophobicContact CG-CG2 4.4Å; L89-T124 PolarHBondContact N-OG1 3.24Å; L89-T124 VanDerWaalsContact N-OG1 3.16Å; S92-T124 PolarHBondContact OG-OG1 3.38Å; S120-T124 PolarHBondContact O-N 2.87Å; S120-T124 PolarHBondContact O-OG1 3.22Å; C121-T124 VanDerWaalsContact O-CB 3.31Å; C121-T124 WeakPolarHBondContact O-CB 3.39Å; C121-T124 PolarHBondContact O-N 3.41Å; L122-T124 VanDerWaalsContact C-N 3.31Å; L122-T124 PolarHBondContact O-N 3.15Å; T124-A126 VanDerWaalsContact C-N 3.33Å; T124-A126 PolarHBondContact O-N 3.36Å; T124-Y127 PolarHBondContact O-N 3.27Å; T124-I128 HydrophobicContact CG2-CD1 3.92Å; T124-I128 VanDerWaalsContact O-CG1 3.3Å; T124-I128 WeakPolarHBondContact O-CG1 3.42Å; T124-I128 PolarHBondContact O-N 2.84Å |
| 125 | I | 96.4 | Very high | 93 | Very high | 96 Ų | 96 | 41.9 Ų | 41.9 | 49% | 0.492 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 178.5 | -66.6 | 166.2 | 0 | 0 | 0 | 110.3 | C121 L122 A123 Y127 I128 C129 | C121-I125 WeakPolarHBondContact O-CG1 3.29Å; C121-I125 PolarHBondContact O-N 3.2Å; L122-I125 PolarHBondContact O-N 3.38Å; A123-I125 PolarHBondContact O-N 3.15Å; I125-Y127 PolarHBondContact O-N 3.47Å; I125-I128 PolarHBondContact O-N 3.46Å; I125-C129 PolarHBondContact O-N 2.64Å; I125-C129 PolarHBondContact O-SG 3.5Å |
| 126 | A | 95.9 | Very high | 92.2 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | V14 C17 A18 F21 L122 A123 T124 C129 E130 | V14-A126 WeakPolarHBondContact CG1-O 3.27Å; C17-A126 HydrophobicContact CB-CB 4.47Å; A18-A126 HydrophobicContact CB-CB 3.72Å; F21-A126 HydrophobicContact CD2-CB 4.23Å; L122-A126 WeakPolarHBondContact O-CB 3.42Å; L122-A126 PolarHBondContact O-N 2.93Å; A123-A126 PolarHBondContact O-N 2.73Å; T124-A126 VanDerWaalsContact C-N 3.33Å; T124-A126 PolarHBondContact O-N 3.36Å; A126-C129 WeakPolarHBondContact O-CB 3.21Å; A126-C129 PolarHBondContact O-N 3.5Å; A126-E130 PolarHBondContact O-N 2.92Å |
| 127 | Y | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 175.2 | -73.1 | -59.7 | 0 | 0 | 0 | 113.1 | A18 S50 T54 A81 A84 S85 A123 T124 I125 C129 E130 V131 | A18-Y127 HydrophobicContact CB-CD1 3.88Å; A18-Y127 HydrophobicContact CB-CD2 4.34Å; A18-Y127 HydrophobicContact CB-CE1 3.63Å; A18-Y127 HydrophobicContact CB-CE2 4.1Å; A18-Y127 HydrophobicContact CB-CG 4.22Å; S50-Y127 WeakPolarHBondContact CB-OH 3.11Å; S50-Y127 PolarHBondContact O-OH 2.94Å; S50-Y127 VanDerWaalsContact O-OH 3.06Å; T54-Y127 WeakPolarHBondContact OG1-CE1 3.4Å; T54-Y127 PolarHBondContact OG1-OH 3.46Å; A81-Y127 HydrophobicContact CB-CD1 4.45Å; A84-Y127 HydrophobicContact CB-CD1 3.78Å; A84-Y127 HydrophobicContact CB-CD2 3.93Å; A84-Y127 HydrophobicContact CB-CE1 3.64Å; A84-Y127 HydrophobicContact CB-CE2 3.82Å; A84-Y127 HydrophobicContact CB-CG 3.93Å; S85-Y127 VanDerWaalsContact CB-CB 3.5Å; A123-Y127 HydrophobicContact CB-CE2 4.48Å; A123-Y127 WeakPolarHBondContact O-CD2 3.35Å; A123-Y127 PolarHBondContact O-N 2.74Å; T124-Y127 PolarHBondContact O-N 3.27Å; I125-Y127 PolarHBondContact O-N 3.47Å; Y127-C129 VanDerWaalsContact C-N 3.31Å; Y127-C129 PolarHBondContact O-N 2.97Å; Y127-E130 WeakPolarHBondContact O-CB 3.48Å; Y127-E130 PolarHBondContact O-N 3.13Å; Y127-V131 WeakPolarHBondContact O-CG2 3.16Å; Y127-V131 PolarHBondContact O-N 3.14Å |
| 128 | I | 93.9 | Very high | 89.3 | Confident | 81 Ų | 81 | 55 Ų | 55 | 42% | 0.415 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 173.1 | -70.2 | 170.4 | 0 | 0 | 0 | 110.4 | T124 I125 E130 V131 S132 | T124-I128 HydrophobicContact CG2-CD1 3.92Å; T124-I128 VanDerWaalsContact O-CG1 3.3Å; T124-I128 WeakPolarHBondContact O-CG1 3.42Å; T124-I128 PolarHBondContact O-N 2.84Å; I125-I128 PolarHBondContact O-N 3.46Å; I128-E130 VanDerWaalsContact C-N 3.33Å; I128-V131 PolarHBondContact O-N 2.85Å; I128-S132 VanDerWaalsContact O-CB 3.3Å; I128-S132 WeakPolarHBondContact O-CB 3.44Å; I128-S132 PolarHBondContact O-N 3.37Å; I128-S132 PolarHBondContact O-OG 3.17Å |
| 129 | C | 93.1 | Very high | 87.3 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 35% | 0.345 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 173.8 | -71.2 | 0 | 0 | 0 | 0 | 111.2 | V14 I125 A126 Y127 V131 S132 I133 | V14-C129 HydrophobicContact CG1-CB 3.87Å; V14-C129 HydrophobicContact CG2-CB 4.47Å; I125-C129 PolarHBondContact O-N 2.64Å; I125-C129 PolarHBondContact O-SG 3.5Å; A126-C129 WeakPolarHBondContact O-CB 3.21Å; A126-C129 PolarHBondContact O-N 3.5Å; Y127-C129 VanDerWaalsContact C-N 3.31Å; Y127-C129 PolarHBondContact O-N 2.97Å; C129-V131 PolarHBondContact O-N 3.25Å; C129-S132 PolarHBondContact O-N 3.04Å; C129-I133 WeakPolarHBondContact O-CB 3.42Å; C129-I133 VanDerWaalsContact O-CG1 3.25Å; C129-I133 WeakPolarHBondContact O-CG1 3.38Å; C129-I133 PolarHBondContact O-N 3.25Å |
| 130 | E | 93.2 | Very high | 85.8 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 176.5 | -171.3 | -175.9 | 163.7 | 0 | 0 | 111.2 | L11 V14 R15 A81 A126 Y127 I128 S132 I133 S134 | L11-E130 HydrophobicContact CD1-CG 3.74Å; V14-E130 HydrophobicContact CG1-CB 3.9Å; R15-E130 VanDerWaalsContact CG-CD 3.48Å; R15-E130 HydrophobicContact CG-CG 4.12Å; R15-E130 IonicContact CZ-OE1 3.76Å; R15-E130 IonicContact NE-OE1 2.66Å; R15-E130 PolarHBondContact NE-OE1 3.02Å; R15-E130 IonicContact NH2-OE1 3.9Å; R15-E130 PolarHBondContact NH2-OE1 3.43Å; A81-E130 HydrophobicContact CB-CB 4.27Å; A81-E130 HydrophobicContact CB-CG 3.97Å; A126-E130 PolarHBondContact O-N 2.92Å; Y127-E130 WeakPolarHBondContact O-CB 3.48Å; Y127-E130 PolarHBondContact O-N 3.13Å; I128-E130 VanDerWaalsContact C-N 3.33Å; E130-S132 VanDerWaalsContact C-N 3.33Å; E130-S132 PolarHBondContact O-N 2.83Å; E130-I133 PolarHBondContact O-N 3.13Å; E130-S134 WeakPolarHBondContact O-CB 3.3Å; E130-S134 PolarHBondContact O-N 3.28Å; E130-S134 PolarHBondContact O-OG 3.33Å |
| 131 | V | 91.6 | Very high | 84.1 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | A81 C82 Y127 I128 C129 S134 K135 L151 | A81-V131 HydrophobicContact CB-CG2 3.85Å; C82-V131 HydrophobicContact CB-CG2 3.98Å; Y127-V131 WeakPolarHBondContact O-CG2 3.16Å; Y127-V131 PolarHBondContact O-N 3.14Å; I128-V131 PolarHBondContact O-N 2.85Å; C129-V131 PolarHBondContact O-N 3.25Å; V131-S134 PolarHBondContact O-N 3.32Å; V131-K135 WeakPolarHBondContact O-CB 3.37Å; V131-K135 PolarHBondContact O-N 3.1Å; V131-L151 HydrophobicContact CG1-CD1 3.87Å; V131-L151 HydrophobicContact CG1-CD2 3.84Å |
| 132 | S | 89 | Confident | 82.7 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 54% | 0.538 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | -178.3 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | I128 C129 E130 | I128-S132 VanDerWaalsContact O-CB 3.3Å; I128-S132 WeakPolarHBondContact O-CB 3.44Å; I128-S132 PolarHBondContact O-N 3.37Å; I128-S132 PolarHBondContact O-OG 3.17Å; C129-S132 PolarHBondContact O-N 3.04Å; E130-S132 VanDerWaalsContact C-N 3.33Å; E130-S132 PolarHBondContact O-N 2.83Å |
| 133 | I | 88.8 | Confident | 81.6 | Confident | 85 Ų | 85 | 62.5 Ų | 62.5 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.8 | -37.1 | 176.1 | -65.9 | 165.4 | 0 | 0 | 0 | 110.6 | L11 V14 C129 E130 K135 | L11-I133 HydrophobicContact CD1-CG2 4.32Å; V14-I133 HydrophobicContact CG2-CD1 3.89Å; C129-I133 WeakPolarHBondContact O-CB 3.42Å; C129-I133 VanDerWaalsContact O-CG1 3.25Å; C129-I133 WeakPolarHBondContact O-CG1 3.38Å; C129-I133 PolarHBondContact O-N 3.25Å; E130-I133 PolarHBondContact O-N 3.13Å; I133-K135 VanDerWaalsContact C-N 3.31Å |
| 134 | S | 85.3 | Confident | 80.8 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 22% | 0.217 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -81.6 | -9.4 | -178.4 | -55.3 | 0 | 0 | 0 | 0 | 113.6 | L11 I78 E130 V131 | L11-S134 VanDerWaalsContact CD1-OG 3.23Å; L11-S134 WeakPolarHBondContact CD1-OG 3.49Å; I78-S134 WeakPolarHBondContact CD1-O 3.1Å; E130-S134 WeakPolarHBondContact O-CB 3.3Å; E130-S134 PolarHBondContact O-N 3.28Å; E130-S134 PolarHBondContact O-OG 3.33Å; V131-S134 PolarHBondContact O-N 3.32Å |
| 135 | K | 82.3 | Confident | 80.3 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -66.3 | 133.2 | -179.4 | -169 | 176.1 | -179.4 | 177.7 | 0 | 110.1 | V131 I133 A146 L151 | V131-K135 WeakPolarHBondContact O-CB 3.37Å; V131-K135 PolarHBondContact O-N 3.1Å; I133-K135 VanDerWaalsContact C-N 3.31Å; K135-A146 WeakPolarHBondContact CG-O 3.27Å; K135-L151 HydrophobicContact CD-CD1 4.32Å; K135-L151 HydrophobicContact CG-CD1 4.42Å |
| 136 | A | 76.7 | Confident | 79.7 | Confident | 25 Ų | 25 | 60 Ų | 60 | 21% | 0.207 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 136.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A142 A146 | A136-A142 HydrophobicContact CB-CB 3.32Å; A136-A146 HydrophobicContact CB-CB 3.95Å; A136-A146 PolarHBondContact N-O 3.03Å |
| 137 | R | 70.1 | Confident | 79.2 | Confident | 187 Ų | 187 | 61.6 Ų | 61.6 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 149.3 | 166.3 | -63.1 | -178.6 | 178.3 | -154.4 | 0.7 | 109.9 | G139 E140 | R137-G139 PolarHBondContact O-N 3.5Å; R137-G139 VanDerWaalsContact O-N 3.08Å; R137-E140 HydrophobicContact CB-CG 4.32Å; R137-E140 PolarHBondContact N-OE2 3.47Å; R137-E140 PolarHBondContact O-N 3.32Å |
| 138 | P | 53.9 | Low | 78.7 | Confident | 140 Ų | 140 | 62.8 Ų | 62.8 | 91% | 0.909 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 116.9 | 175 | -21.1 | 31.6 | 0 | 0 | 0 | 110.6 | ||
| 139 | G | 53.4 | Low | 78.3 | Confident | 84 Ų | 84 | 59.2 Ų | 59.2 | 87% | 0.866 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.8 | -4.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R137 | R137-G139 PolarHBondContact O-N 3.5Å; R137-G139 VanDerWaalsContact O-N 3.08Å |
| 140 | E | 63.2 | Low | 78 | Confident | 117 Ų | 117 | 56.8 Ų | 56.8 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -85.1 | 143 | 172.1 | -73.2 | 174.8 | 166.9 | 0 | 0 | 111.6 | R137 A142 | R137-E140 HydrophobicContact CB-CG 4.32Å; R137-E140 PolarHBondContact N-OE2 3.47Å; R137-E140 PolarHBondContact O-N 3.32Å; E140-A142 PolarHBondContact O-N 3.12Å |
| 141 | V | 59.7 | Low | 77.9 | Confident | 143 Ų | 143 | 57.7 Ų | 57.7 | 87% | 0.867 | 34% | 0.343 | S | S | * | . | trans | -75 | 75.1 | 174.9 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 142 | A | 66.7 | Low | 77.9 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | trans | -103.4 | 157.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A136 E140 A146 | A136-A142 HydrophobicContact CB-CB 3.32Å; E140-A142 PolarHBondContact O-N 3.12Å; A142-A146 HydrophobicContact CB-CB 4.12Å | ||
| 143 | G | 74.6 | Confident | 78.1 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | trans | -67 | 153.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | N75 M145 A146 | N75-G143 WeakPolarHBondContact OD1-CA 3.26Å; G143-M145 PolarHBondContact O-N 3.27Å; G143-M145 VanDerWaalsContact O-N 3.09Å; G143-A146 WeakPolarHBondContact O-CB 3.38Å; G143-A146 PolarHBondContact O-N 3.02Å | ||
| 144 | Y | 78 | Confident | 78.3 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -52.7 | -34.2 | -179.6 | 175.4 | -98.2 | 0 | 0 | 0 | 112.7 | N75 A146 T147 P149 I196 C200 F212 L216 | N75-Y144 PolarHBondContact OD1-N 2.9Å; Y144-A146 PolarHBondContact O-N 3.44Å; Y144-T147 WeakPolarHBondContact O-CB 3.4Å; Y144-T147 PolarHBondContact O-N 3.34Å; Y144-T147 PolarHBondContact O-OG1 3.5Å; Y144-P149 HydrophobicContact CE2-CG 4.27Å; Y144-I196 HydrophobicContact CE1-CG2 4.48Å; Y144-C200 HydrophobicContact CD1-CB 4.25Å; Y144-C200 WeakPolarHBondContact CD1-SG 3.41Å; Y144-F212 HydrophobicContact CD2-CE1 4.07Å; Y144-F212 HydrophobicContact CE2-CE1 4.1Å; Y144-F212 HydrophobicContact CG-CE1 4.37Å; Y144-L216 HydrophobicContact CE2-CD1 3.71Å |
| 145 | M | 85.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -69.9 | -16.7 | -179.8 | -70.9 | -66.5 | 163.2 | 0 | 0 | 114.5 | N75 I78 T79 G143 T147 V154 I197 C200 | N75-M145 HydrophobicContact CB-CB 3.97Å; N75-M145 HydrophobicContact CB-CG 3.89Å; N75-M145 PolarHBondContact OD1-N 3.44Å; N75-M145 VanDerWaalsContact OD1-N 3.13Å; I78-M145 HydrophobicContact CG2-CB 3.98Å; T79-M145 HydrophobicContact CG2-SD 4.46Å; T79-M145 VanDerWaalsContact OG1-CB 3.22Å; T79-M145 WeakPolarHBondContact OG1-CB 3.44Å; T79-M145 WeakPolarHBondContact OG1-CG 3.32Å; T79-M145 PolarHBondContact OG1-SD 2.9Å; T79-M145 VanDerWaalsContact OG1-SD 3.37Å; G143-M145 PolarHBondContact O-N 3.27Å; G143-M145 VanDerWaalsContact O-N 3.09Å; M145-T147 VanDerWaalsContact C-N 3.28Å; M145-V154 HydrophobicContact SD-CG2 4.41Å; M145-I197 VanDerWaalsContact CE-CA 3.44Å; M145-I197 HydrophobicContact CE-CB 3.89Å; M145-I197 HydrophobicContact CE-CG1 3.79Å; M145-I197 HydrophobicContact CE-CG2 3.91Å; M145-C200 HydrophobicContact CE-CB 3.45Å; M145-C200 VanDerWaalsContact CE-CB 3.45Å; M145-C200 HydrophobicContact CG-CB 4.29Å |
| 146 | A | 83.2 | Confident | 79.4 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 5% | 0.05 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -84.9 | -2.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I78 K135 A136 A142 G143 Y144 | I78-A146 HydrophobicContact CD1-CB 3.84Å; K135-A146 WeakPolarHBondContact CG-O 3.27Å; A136-A146 HydrophobicContact CB-CB 3.95Å; A136-A146 PolarHBondContact N-O 3.03Å; A142-A146 HydrophobicContact CB-CB 4.12Å; G143-A146 WeakPolarHBondContact O-CB 3.38Å; G143-A146 PolarHBondContact O-N 3.02Å; Y144-A146 PolarHBondContact O-N 3.44Å |
| 147 | T | 85.4 | Confident | 80.2 | Confident | 44 Ų | 44 | 44.7 Ų | 44.7 | 27% | 0.27 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -91 | 162.6 | 178.8 | 72.9 | 0 | 0 | 0 | 0 | 111.9 | Y144 M145 P149 G150 L151 | Y144-T147 WeakPolarHBondContact O-CB 3.4Å; Y144-T147 PolarHBondContact O-N 3.34Å; Y144-T147 PolarHBondContact O-OG1 3.5Å; M145-T147 VanDerWaalsContact C-N 3.28Å; T147-P149 WeakPolarHBondContact OG1-CD 3.31Å; T147-P149 WeakPolarHBondContact OG1-CG 3.35Å; T147-G150 PolarHBondContact O-N 3.15Å; T147-G150 PolarHBondContact OG1-N 2.83Å; T147-L151 PolarHBondContact O-N 2.93Å; T147-L151 VanDerWaalsContact O-N 3.12Å |
| 148 | A | 85.4 | Confident | 81.4 | Confident | 25 Ų | 25 | 36.7 Ų | 36.7 | 21% | 0.207 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.9 | -49.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G150 L151 L152 Y284 | A148-G150 VanDerWaalsContact C-N 3.35Å; A148-G150 PolarHBondContact O-N 3.34Å; A148-L151 PolarHBondContact O-N 3.12Å; A148-L152 WeakPolarHBondContact O-CG 3.37Å; A148-L152 PolarHBondContact O-N 3Å; A148-Y284 HydrophobicContact CB-CD1 4.32Å; A148-Y284 HydrophobicContact CB-CE1 4.16Å; A148-Y284 HydrophobicContact CB-CE2 4.48Å |
| 149 | P | 85.4 | Confident | 83.3 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -35 | 178.7 | 23.7 | -33.6 | 0 | 0 | 0 | 113.2 | Y144 T147 L151 L152 K153 D281 L288 | Y144-P149 HydrophobicContact CE2-CG 4.27Å; T147-P149 WeakPolarHBondContact OG1-CD 3.31Å; T147-P149 WeakPolarHBondContact OG1-CG 3.35Å; P149-L151 PolarHBondContact O-N 3.46Å; P149-L152 PolarHBondContact O-N 3.41Å; P149-K153 WeakPolarHBondContact O-CG 3.46Å; P149-K153 PolarHBondContact O-N 3.39Å; P149-D281 VanDerWaalsContact CB-OD1 3.3Å; P149-D281 WeakPolarHBondContact CB-OD1 3.42Å; P149-L288 HydrophobicContact CG-CD1 4.21Å |
| 150 | G | 87.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | T147 A148 L152 K153 V154 | T147-G150 PolarHBondContact O-N 3.15Å; T147-G150 PolarHBondContact OG1-N 2.83Å; A148-G150 VanDerWaalsContact C-N 3.35Å; A148-G150 PolarHBondContact O-N 3.34Å; G150-L152 VanDerWaalsContact C-N 3.35Å; G150-L152 PolarHBondContact O-N 3.04Å; G150-K153 PolarHBondContact O-N 3.38Å; G150-V154 PolarHBondContact O-N 2.89Å |
| 151 | L | 90.1 | Very high | 86.6 | Confident | 22 Ų | 22 | 23.3 Ų | 23.3 | 12% | 0.115 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.7 | -34.8 | 176.1 | -65.1 | 176.4 | 0 | 0 | 0 | 112.5 | I78 C82 V131 K135 T147 A148 P149 V154 C155 | I78-L151 HydrophobicContact CD1-CD2 4.46Å; I78-L151 HydrophobicContact CG1-CD2 4.2Å; C82-L151 HydrophobicContact CB-CD2 4.07Å; V131-L151 HydrophobicContact CG1-CD1 3.87Å; V131-L151 HydrophobicContact CG1-CD2 3.84Å; K135-L151 HydrophobicContact CD-CD1 4.32Å; K135-L151 HydrophobicContact CG-CD1 4.42Å; T147-L151 PolarHBondContact O-N 2.93Å; T147-L151 VanDerWaalsContact O-N 3.12Å; A148-L151 PolarHBondContact O-N 3.12Å; P149-L151 PolarHBondContact O-N 3.46Å; L151-V154 PolarHBondContact O-N 3.39Å; L151-C155 PolarHBondContact O-N 3.24Å; L151-C155 VanDerWaalsContact O-N 3.1Å; L151-C155 PolarHBondContact O-SG 3.32Å |
| 152 | L | 91.8 | Very high | 88 | Confident | 29 Ų | 29 | 17.4 Ų | 17.4 | 15% | 0.152 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 174.5 | -72.2 | 172.4 | 0 | 0 | 0 | 111.6 | A148 P149 G150 V154 C155 E156 L277 A280 D281 Y284 | A148-L152 WeakPolarHBondContact O-CG 3.37Å; A148-L152 PolarHBondContact O-N 3Å; P149-L152 PolarHBondContact O-N 3.41Å; G150-L152 VanDerWaalsContact C-N 3.35Å; G150-L152 PolarHBondContact O-N 3.04Å; L152-V154 VanDerWaalsContact C-N 3.28Å; L152-V154 PolarHBondContact O-N 3.12Å; L152-C155 WeakPolarHBondContact O-CB 3.06Å; L152-C155 PolarHBondContact O-N 2.94Å; L152-C155 VanDerWaalsContact O-N 3.11Å; L152-E156 VanDerWaalsContact O-CG 3.3Å; L152-E156 WeakPolarHBondContact O-CG 3.16Å; L152-E156 PolarHBondContact O-N 2.97Å; L152-L277 HydrophobicContact CD2-CD2 3.9Å; L152-A280 HydrophobicContact CD1-CB 4.03Å; L152-A280 HydrophobicContact CD2-CB 4.45Å; L152-D281 HydrophobicContact CB-CB 4.41Å; L152-D281 HydrophobicContact CD1-CB 4.16Å; L152-Y284 HydrophobicContact CD1-CD2 3.52Å; L152-Y284 HydrophobicContact CD1-CE2 3.86Å |
| 153 | K | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.2 | -38.6 | 175.1 | -70.4 | -87.9 | 163 | -104.4 | 0 | 112.6 | P149 G150 E156 T157 I196 I197 Y219 D281 | P149-K153 WeakPolarHBondContact O-CG 3.46Å; P149-K153 PolarHBondContact O-N 3.39Å; G150-K153 PolarHBondContact O-N 3.38Å; K153-E156 WeakPolarHBondContact CD-OE2 3.41Å; K153-E156 IonicContact NZ-OE1 3.4Å; K153-E156 PolarHBondContact NZ-OE1 2.87Å; K153-E156 VanDerWaalsContact NZ-OE1 3.15Å; K153-E156 IonicContact NZ-OE2 2.83Å; K153-E156 PolarHBondContact NZ-OE2 3.41Å; K153-E156 PolarHBondContact O-N 2.86Å; K153-T157 WeakPolarHBondContact O-CG2 3.4Å; K153-T157 PolarHBondContact O-N 2.97Å; K153-T157 PolarHBondContact O-OG1 3.42Å; K153-T157 VanDerWaalsContact O-OG1 3.13Å; K153-I196 HydrophobicContact CD-CD1 4.32Å; K153-I196 HydrophobicContact CD-CG2 4.46Å; K153-I197 HydrophobicContact CB-CD1 4.27Å; K153-I197 HydrophobicContact CB-CG1 4.2Å; K153-Y219 HydrophobicContact CD-CE1 4.31Å; K153-D281 VanDerWaalsContact CE-OD2 3.25Å; K153-D281 WeakPolarHBondContact CE-OD2 3.43Å; K153-D281 IonicContact NZ-OD2 3.61Å; K153-D281 PolarHBondContact NZ-OD2 3.08Å |
| 154 | V | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 175 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | T79 C82 Y83 L86 M145 G150 L151 L152 E156 T157 F158 I197 | T79-V154 HydrophobicContact CG2-CG2 3.92Å; C82-V154 HydrophobicContact CB-CB 4.49Å; C82-V154 HydrophobicContact CB-CG1 3.9Å; C82-V154 WeakPolarHBondContact SG-CG1 3.43Å; Y83-V154 HydrophobicContact CD1-CG1 3.8Å; Y83-V154 HydrophobicContact CD2-CG1 3.88Å; Y83-V154 HydrophobicContact CE1-CG1 3.75Å; Y83-V154 HydrophobicContact CE2-CG1 3.84Å; Y83-V154 HydrophobicContact CE2-CG2 4.31Å; Y83-V154 HydrophobicContact CG-CG1 3.86Å; L86-V154 HydrophobicContact CD1-CG1 4.13Å; M145-V154 HydrophobicContact SD-CG2 4.41Å; G150-V154 PolarHBondContact O-N 2.89Å; L151-V154 PolarHBondContact O-N 3.39Å; L152-V154 VanDerWaalsContact C-N 3.28Å; L152-V154 PolarHBondContact O-N 3.12Å; V154-E156 PolarHBondContact O-N 3.39Å; V154-T157 PolarHBondContact O-N 3.15Å; V154-T157 PolarHBondContact O-OG1 3.13Å; V154-F158 WeakPolarHBondContact O-CB 3.48Å; V154-F158 PolarHBondContact O-N 2.93Å; V154-I197 HydrophobicContact CG2-CD1 4.23Å |
| 155 | C | 94.6 | Very high | 90.3 | Very high | 32 Ų | 32 | 17.8 Ų | 17.8 | 22% | 0.216 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 174.6 | -67 | 0 | 0 | 0 | 0 | 112.3 | L151 L152 F158 V159 L277 | L151-C155 PolarHBondContact O-N 3.24Å; L151-C155 VanDerWaalsContact O-N 3.1Å; L151-C155 PolarHBondContact O-SG 3.32Å; L152-C155 WeakPolarHBondContact O-CB 3.06Å; L152-C155 PolarHBondContact O-N 2.94Å; L152-C155 VanDerWaalsContact O-N 3.11Å; C155-F158 PolarHBondContact O-N 3.48Å; C155-V159 WeakPolarHBondContact O-CB 3.45Å; C155-V159 VanDerWaalsContact O-CG2 3.31Å; C155-V159 WeakPolarHBondContact O-CG2 3.22Å; C155-V159 PolarHBondContact O-N 3.44Å; C155-L277 HydrophobicContact CB-CD1 3.83Å; C155-L277 HydrophobicContact CB-CD2 4.22Å |
| 156 | E | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | -179.7 | -72.3 | 164.8 | -174.5 | 0 | 0 | 112.1 | L152 K153 V154 F158 V159 A160 S193 N274 L277 Y278 D281 | L152-E156 VanDerWaalsContact O-CG 3.3Å; L152-E156 WeakPolarHBondContact O-CG 3.16Å; L152-E156 PolarHBondContact O-N 2.97Å; K153-E156 WeakPolarHBondContact CD-OE2 3.41Å; K153-E156 IonicContact NZ-OE1 3.4Å; K153-E156 PolarHBondContact NZ-OE1 2.87Å; K153-E156 VanDerWaalsContact NZ-OE1 3.15Å; K153-E156 IonicContact NZ-OE2 2.83Å; K153-E156 PolarHBondContact NZ-OE2 3.41Å; K153-E156 PolarHBondContact O-N 2.86Å; V154-E156 PolarHBondContact O-N 3.39Å; E156-F158 VanDerWaalsContact C-N 3.35Å; E156-V159 PolarHBondContact O-N 3.01Å; E156-A160 WeakPolarHBondContact O-CB 3.22Å; E156-A160 PolarHBondContact O-N 3.33Å; E156-S193 PolarHBondContact OE2-OG 2.99Å; E156-N274 VanDerWaalsContact CA-OD1 3.22Å; E156-N274 WeakPolarHBondContact CA-OD1 3.31Å; E156-N274 PolarHBondContact O-ND2 3.49Å; E156-N274 PolarHBondContact O-OD1 3.46Å; E156-L277 HydrophobicContact CG-CB 3.82Å; E156-Y278 HydrophobicContact CB-CE1 4.44Å; E156-Y278 HydrophobicContact CB-CE2 4.28Å; E156-Y278 VanDerWaalsContact CD-CD1 3.46Å; E156-Y278 HydrophobicContact CG-CD1 4.22Å; E156-Y278 HydrophobicContact CG-CD2 4.35Å; E156-Y278 HydrophobicContact CG-CE1 4.01Å; E156-Y278 HydrophobicContact CG-CE2 4.1Å; E156-Y278 HydrophobicContact CG-CG 4.39Å; E156-Y278 VanDerWaalsContact OE1-CD1 3.31Å; E156-Y278 WeakPolarHBondContact OE1-CD1 3.39Å; E156-Y278 WeakPolarHBondContact OE2-CE1 3.31Å; E156-D281 WeakPolarHBondContact OE1-CB 3.19Å |
| 157 | T | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.1 | -38.8 | 178.8 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | Y83 K153 V154 A160 C161 F190 A194 I197 | Y83-T157 PolarHBondContact OH-OG1 2.94Å; K153-T157 WeakPolarHBondContact O-CG2 3.4Å; K153-T157 PolarHBondContact O-N 2.97Å; K153-T157 PolarHBondContact O-OG1 3.42Å; K153-T157 VanDerWaalsContact O-OG1 3.13Å; V154-T157 PolarHBondContact O-N 3.15Å; V154-T157 PolarHBondContact O-OG1 3.13Å; T157-A160 PolarHBondContact O-N 3.39Å; T157-C161 PolarHBondContact O-N 3.17Å; T157-C161 PolarHBondContact O-SG 3.49Å; T157-F190 HydrophobicContact CG2-CD2 4.26Å; T157-F190 HydrophobicContact CG2-CE2 4.45Å; T157-A194 HydrophobicContact CG2-CB 4.46Å; T157-I197 HydrophobicContact CG2-CD1 3.82Å |
| 158 | F | 94.1 | Very high | 90 | Very high | 19 Ų | 19 | 20 Ų | 20 | 8% | 0.083 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.1 | -47 | 176.6 | -176.5 | -97.5 | 0 | 0 | 0 | 112.1 | Y83 L86 L87 V154 C155 E156 A160 C161 V162 | Y83-F158 HydrophobicContact CE1-CB 4.49Å; L86-F158 HydrophobicContact CB-CB 4.46Å; L86-F158 HydrophobicContact CB-CD1 3.66Å; L86-F158 HydrophobicContact CB-CD2 3.75Å; L86-F158 HydrophobicContact CB-CE1 3.73Å; L86-F158 HydrophobicContact CB-CE2 3.83Å; L86-F158 HydrophobicContact CB-CG 3.67Å; L86-F158 HydrophobicContact CB-CZ 3.82Å; L86-F158 HydrophobicContact CD1-CB 3.63Å; L86-F158 HydrophobicContact CD1-CD1 4.05Å; L86-F158 HydrophobicContact CD1-CD2 4.4Å; L86-F158 HydrophobicContact CD1-CG 3.76Å; L86-F158 HydrophobicContact CD2-CD1 4.23Å; L86-F158 HydrophobicContact CG-CD1 4.2Å; L86-F158 HydrophobicContact CG-CG 4.25Å; L86-F158 WeakPolarHBondContact O-CZ 3.23Å; L87-F158 HydrophobicContact CD2-CE2 3.83Å; L87-F158 HydrophobicContact CG-CE2 4Å; V154-F158 WeakPolarHBondContact O-CB 3.48Å; V154-F158 PolarHBondContact O-N 2.93Å; C155-F158 PolarHBondContact O-N 3.48Å; E156-F158 VanDerWaalsContact C-N 3.35Å; F158-A160 VanDerWaalsContact C-N 3.28Å; F158-A160 PolarHBondContact O-N 2.93Å; F158-C161 WeakPolarHBondContact O-CB 3.43Å; F158-C161 PolarHBondContact O-N 3.22Å; F158-C161 VanDerWaalsContact O-N 3.14Å; F158-V162 HydrophobicContact CD1-CG2 4.16Å; F158-V162 HydrophobicContact CE1-CG2 3.71Å; F158-V162 HydrophobicContact CZ-CG2 3.95Å; F158-V162 WeakPolarHBondContact O-CG2 3.38Å; F158-V162 PolarHBondContact O-N 2.72Å |
| 159 | V | 94.5 | Very high | 89.3 | Confident | 17 Ų | 17 | 24 Ų | 24 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | C155 E156 C161 V162 I163 L270 V273 N274 L277 | C155-V159 WeakPolarHBondContact O-CB 3.45Å; C155-V159 VanDerWaalsContact O-CG2 3.31Å; C155-V159 WeakPolarHBondContact O-CG2 3.22Å; C155-V159 PolarHBondContact O-N 3.44Å; E156-V159 PolarHBondContact O-N 3.01Å; V159-C161 PolarHBondContact O-N 3.48Å; V159-V162 PolarHBondContact O-N 2.9Å; V159-I163 HydrophobicContact CG1-CD1 4.08Å; V159-I163 WeakPolarHBondContact O-CG1 3.4Å; V159-I163 PolarHBondContact O-N 2.9Å; V159-L270 HydrophobicContact CG1-CB 4.12Å; V159-L270 HydrophobicContact CG1-CD2 4.2Å; V159-L270 WeakPolarHBondContact CG1-O 3.36Å; V159-V273 HydrophobicContact CG2-CG1 4.49Å; V159-N274 HydrophobicContact CG1-CB 3.8Å; V159-L277 HydrophobicContact CG2-CD1 3.98Å |
| 160 | A | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E156 T157 F158 V162 I163 F164 F190 | E156-A160 WeakPolarHBondContact O-CB 3.22Å; E156-A160 PolarHBondContact O-N 3.33Å; T157-A160 PolarHBondContact O-N 3.39Å; F158-A160 VanDerWaalsContact C-N 3.28Å; F158-A160 PolarHBondContact O-N 2.93Å; A160-V162 VanDerWaalsContact C-N 3.34Å; A160-V162 PolarHBondContact O-N 3.15Å; A160-I163 WeakPolarHBondContact O-CB 3.22Å; A160-I163 PolarHBondContact O-N 3.48Å; A160-F164 WeakPolarHBondContact O-CD2 3.41Å; A160-F164 WeakPolarHBondContact O-CG 3.35Å; A160-F164 PolarHBondContact O-N 2.98Å; A160-F190 HydrophobicContact CB-CB 4.13Å; A160-F190 HydrophobicContact CB-CD2 4.01Å; A160-F190 HydrophobicContact CB-CG 4.47Å |
| 161 | C | 91.1 | Very high | 88.1 | Confident | 42 Ų | 42 | 30.1 Ų | 30.1 | 28% | 0.284 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58 | -45.5 | 172.7 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | T157 F158 V159 I163 F164 V165 F190 | T157-C161 PolarHBondContact O-N 3.17Å; T157-C161 PolarHBondContact O-SG 3.49Å; F158-C161 WeakPolarHBondContact O-CB 3.43Å; F158-C161 PolarHBondContact O-N 3.22Å; F158-C161 VanDerWaalsContact O-N 3.14Å; V159-C161 PolarHBondContact O-N 3.48Å; C161-I163 VanDerWaalsContact C-N 3.31Å; C161-I163 PolarHBondContact O-N 3.28Å; C161-F164 WeakPolarHBondContact O-CB 3.39Å; C161-F164 PolarHBondContact O-N 3.19Å; C161-F164 VanDerWaalsContact O-N 3.16Å; C161-V165 WeakPolarHBondContact O-CG2 3.32Å; C161-V165 PolarHBondContact O-N 2.85Å; C161-F190 WeakPolarHBondContact SG-CE2 3.37Å |
| 162 | V | 90 | Very high | 87.1 | Confident | 19 Ų | 19 | 29.7 Ų | 29.7 | 12% | 0.115 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.5 | -38.1 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | F158 V159 A160 F164 V165 F166 L270 | F158-V162 HydrophobicContact CD1-CG2 4.16Å; F158-V162 HydrophobicContact CE1-CG2 3.71Å; F158-V162 HydrophobicContact CZ-CG2 3.95Å; F158-V162 WeakPolarHBondContact O-CG2 3.38Å; F158-V162 PolarHBondContact O-N 2.72Å; V159-V162 PolarHBondContact O-N 2.9Å; A160-V162 VanDerWaalsContact C-N 3.34Å; A160-V162 PolarHBondContact O-N 3.15Å; V162-F164 VanDerWaalsContact C-N 3.34Å; V162-F164 PolarHBondContact O-N 3.3Å; V162-V165 PolarHBondContact O-N 3.42Å; V162-F166 HydrophobicContact CG1-CD2 3.74Å; V162-F166 HydrophobicContact CG1-CE2 3.46Å; V162-F166 VanDerWaalsContact CG1-CE2 3.46Å; V162-F166 WeakPolarHBondContact O-CD2 3.45Å; V162-F166 PolarHBondContact O-N 3Å; V162-F166 VanDerWaalsContact O-N 3.13Å; V162-L270 HydrophobicContact CB-CD1 4.3Å; V162-L270 HydrophobicContact CG1-CD1 3.6Å |
| 163 | I | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.2 | -45.7 | 172 | -70.2 | 166.5 | 0 | 0 | 0 | 110.6 | V159 A160 C161 V165 F166 I167 F186 V267 L270 | V159-I163 HydrophobicContact CG1-CD1 4.08Å; V159-I163 WeakPolarHBondContact O-CG1 3.4Å; V159-I163 PolarHBondContact O-N 2.9Å; A160-I163 WeakPolarHBondContact O-CB 3.22Å; A160-I163 PolarHBondContact O-N 3.48Å; C161-I163 VanDerWaalsContact C-N 3.31Å; C161-I163 PolarHBondContact O-N 3.28Å; I163-V165 VanDerWaalsContact C-N 3.34Å; I163-V165 PolarHBondContact O-N 3.27Å; I163-F166 PolarHBondContact O-N 3.08Å; I163-I167 WeakPolarHBondContact O-CB 3.5Å; I163-I167 PolarHBondContact O-N 3.48Å; I163-F186 HydrophobicContact CG2-CD2 3.54Å; I163-F186 HydrophobicContact CG2-CE2 3.61Å; I163-F186 HydrophobicContact CG2-CG 4.14Å; I163-F186 HydrophobicContact CG2-CZ 4.26Å; I163-V267 HydrophobicContact CG2-CG1 4.08Å; I163-L270 HydrophobicContact CD1-CB 3.96Å; I163-L270 HydrophobicContact CG1-CB 3.56Å; I163-L270 HydrophobicContact CG1-CD1 4.16Å |
| 164 | F | 89.4 | Confident | 85.5 | Confident | 41 Ų | 41 | 35.6 Ų | 35.6 | 18% | 0.18 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 177.4 | -65.9 | -48.6 | 0 | 0 | 0 | 112.6 | A160 C161 V162 F166 I167 S168 L183 F186 C187 F190 | A160-F164 WeakPolarHBondContact O-CD2 3.41Å; A160-F164 WeakPolarHBondContact O-CG 3.35Å; A160-F164 PolarHBondContact O-N 2.98Å; C161-F164 WeakPolarHBondContact O-CB 3.39Å; C161-F164 PolarHBondContact O-N 3.19Å; C161-F164 VanDerWaalsContact O-N 3.16Å; V162-F164 VanDerWaalsContact C-N 3.34Å; V162-F164 PolarHBondContact O-N 3.3Å; F164-F166 VanDerWaalsContact C-N 3.3Å; F164-F166 PolarHBondContact O-N 2.94Å; F164-I167 HydrophobicContact CD1-CG2 4.41Å; F164-I167 WeakPolarHBondContact O-CG2 3.31Å; F164-I167 PolarHBondContact O-N 3.38Å; F164-S168 WeakPolarHBondContact O-CB 3.47Å; F164-S168 PolarHBondContact O-N 2.88Å; F164-S168 VanDerWaalsContact O-N 3.13Å; F164-S168 PolarHBondContact O-OG 3.35Å; F164-S168 VanDerWaalsContact O-OG 3.09Å; F164-L183 HydrophobicContact CD1-CD1 4.22Å; F164-L183 HydrophobicContact CE1-CD1 4Å; F164-F186 HydrophobicContact CE1-CB 3.77Å; F164-F186 HydrophobicContact CZ-CB 3.94Å; F164-C187 HydrophobicContact CZ-CB 4.49Å; F164-F190 HydrophobicContact CE2-CB 4Å; F164-F190 HydrophobicContact CE2-CD1 4.04Å; F164-F190 HydrophobicContact CE2-CD2 4.38Å; F164-F190 AromaticContact CE2-CG 3.87Å; F164-F190 HydrophobicContact CE2-CG 3.87Å; F164-F190 HydrophobicContact CZ-CB 4.25Å |
| 165 | V | 85.4 | Confident | 84.6 | Confident | 72 Ų | 72 | 39 Ų | 39 | 44% | 0.436 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.9 | -43.1 | 176.1 | 174 | 0 | 0 | 0 | 0 | 111.2 | W42 C161 V162 I163 | W42-V165 HydrophobicContact CZ3-CG2 4.38Å; C161-V165 WeakPolarHBondContact O-CG2 3.32Å; C161-V165 PolarHBondContact O-N 2.85Å; V162-V165 PolarHBondContact O-N 3.42Å; I163-V165 VanDerWaalsContact C-N 3.34Å; I163-V165 PolarHBondContact O-N 3.27Å |
| 166 | F | 84.7 | Confident | 84 | Confident | 28 Ų | 28 | 41 Ų | 41 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -76.9 | -25.1 | 179.7 | -73.5 | -61.3 | 0 | 0 | 0 | 114.4 | V162 I163 F164 L258 R263 A266 V267 L270 | V162-F166 HydrophobicContact CG1-CD2 3.74Å; V162-F166 HydrophobicContact CG1-CE2 3.46Å; V162-F166 VanDerWaalsContact CG1-CE2 3.46Å; V162-F166 WeakPolarHBondContact O-CD2 3.45Å; V162-F166 PolarHBondContact O-N 3Å; V162-F166 VanDerWaalsContact O-N 3.13Å; I163-F166 PolarHBondContact O-N 3.08Å; F164-F166 VanDerWaalsContact C-N 3.3Å; F164-F166 PolarHBondContact O-N 2.94Å; F166-L258 HydrophobicContact CE1-CD1 3.71Å; F166-L258 HydrophobicContact CZ-CD1 4.08Å; F166-R263 HydrophobicContact CD1-CB 4.27Å; F166-R263 HydrophobicContact CD1-CG 4.09Å; F166-R263 HydrophobicContact CE1-CG 4.49Å; F166-A266 HydrophobicContact CD2-CB 4.34Å; F166-A266 HydrophobicContact CE2-CB 4.35Å; F166-V267 HydrophobicContact CB-CG2 3.6Å; F166-L270 HydrophobicContact CD2-CD1 3.83Å; F166-L270 HydrophobicContact CE2-CD1 4.04Å |
| 167 | I | 85.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -85.1 | -27 | -176.3 | -146.7 | 179.4 | 0 | 0 | 0 | 113.2 | I163 F164 S172 Y173 L183 F186 W234 | I163-I167 WeakPolarHBondContact O-CB 3.5Å; I163-I167 PolarHBondContact O-N 3.48Å; F164-I167 HydrophobicContact CD1-CG2 4.41Å; F164-I167 WeakPolarHBondContact O-CG2 3.31Å; F164-I167 PolarHBondContact O-N 3.38Å; I167-S172 PolarHBondContact O-N 3.36Å; I167-S172 VanDerWaalsContact O-N 3.15Å; I167-Y173 HydrophobicContact CD1-CD1 4.2Å; I167-Y173 HydrophobicContact CG1-CD1 4.07Å; I167-Y173 HydrophobicContact CG2-CD1 4.33Å; I167-L183 HydrophobicContact CD1-CD1 4.25Å; I167-L183 HydrophobicContact CG2-CD1 4.3Å; I167-F186 HydrophobicContact CD1-CD2 4.33Å; I167-F186 HydrophobicContact CD1-CE2 4.17Å; I167-W234 HydrophobicContact CD1-CH2 3.66Å; I167-W234 HydrophobicContact CD1-CZ3 3.61Å; I167-W234 HydrophobicContact CG1-CH2 3.61Å; I167-W234 HydrophobicContact CG1-CZ3 4.11Å |
| 168 | S | 79.4 | Confident | 83.2 | Confident | 67 Ų | 67 | 47.9 Ų | 47.9 | 47% | 0.469 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -84.6 | -24.7 | -172.5 | -69.2 | 0 | 0 | 0 | 0 | 113.9 | F164 V171 | F164-S168 WeakPolarHBondContact O-CB 3.47Å; F164-S168 PolarHBondContact O-N 2.88Å; F164-S168 VanDerWaalsContact O-N 3.13Å; F164-S168 PolarHBondContact O-OG 3.35Å; F164-S168 VanDerWaalsContact O-OG 3.09Å; S168-V171 WeakPolarHBondContact O-CG2 3.47Å; S168-V171 PolarHBondContact O-N 3.47Å |
| 169 | D | 70.8 | Confident | 82.9 | Confident | 110 Ų | 110 | 47 Ų | 47 | 59% | 0.588 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | 105.3 | -177.7 | -172.7 | 9.8 | 0 | 0 | 0 | 111.3 | R263 | D169-R263 PolarHBondContact O-NH1 3.2Š|
| 170 | P | 70.4 | Confident | 82.7 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -73.5 | 151.9 | -9.8 | 31.1 | -34.6 | 0 | 0 | 0 | 112.1 | S172 | P170-S172 PolarHBondContact O-N 3.32Å; P170-S172 PolarHBondContact O-OG 2.9Å |
| 171 | V | 75.5 | Confident | 82.6 | Confident | 84 Ų | 84 | 57.5 Ų | 57.5 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -54.8 | 101.3 | 178.9 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | S168 Y173 D174 | S168-V171 WeakPolarHBondContact O-CG2 3.47Å; S168-V171 PolarHBondContact O-N 3.47Å; V171-Y173 HydrophobicContact CG1-CD1 4.05Å; V171-Y173 HydrophobicContact CG1-CE1 3.7Å; V171-Y173 HydrophobicContact CG1-CE2 4.19Å; V171-Y173 HydrophobicContact CG1-CG 4.45Å; V171-D174 HydrophobicContact CG1-CB 3.95Å |
| 172 | S | 69.9 | Low | 82.7 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | trans | -99.3 | -8.2 | -172 | -71.7 | 0 | 0 | 0 | 0 | 113.2 | I167 P170 K238 | I167-S172 PolarHBondContact O-N 3.36Å; I167-S172 VanDerWaalsContact O-N 3.15Å; P170-S172 PolarHBondContact O-N 3.32Å; P170-S172 PolarHBondContact O-OG 2.9Å; S172-K238 WeakPolarHBondContact O-CE 3.3Å; S172-K238 PolarHBondContact O-NZ 3.43Å | ||
| 173 | Y | 72.6 | Confident | 82.8 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 25% | 0.247 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -96.4 | -14.7 | -173.2 | 61.9 | -98.3 | 0 | 0 | 0 | 114.6 | I167 V171 S175 L179 L183 | I167-Y173 HydrophobicContact CD1-CD1 4.2Å; I167-Y173 HydrophobicContact CG1-CD1 4.07Å; I167-Y173 HydrophobicContact CG2-CD1 4.33Å; V171-Y173 HydrophobicContact CG1-CD1 4.05Å; V171-Y173 HydrophobicContact CG1-CE1 3.7Å; V171-Y173 HydrophobicContact CG1-CE2 4.19Å; V171-Y173 HydrophobicContact CG1-CG 4.45Å; Y173-S175 VanDerWaalsContact C-N 3.32Å; Y173-S175 PolarHBondContact O-N 3.03Å; Y173-L179 WeakPolarHBondContact O-CB 3.31Å; Y173-L183 HydrophobicContact CD1-CD2 4.06Å; Y173-L183 HydrophobicContact CD2-CD2 3.62Å; Y173-L183 HydrophobicContact CE1-CD2 4.03Å; Y173-L183 HydrophobicContact CE2-CD2 3.62Å; Y173-L183 HydrophobicContact CG-CD2 3.85Å |
| 174 | D | 78.4 | Confident | 82.9 | Confident | 90 Ų | 90 | 58 Ų | 58 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.3 | -168.7 | -158.7 | 37.7 | 0 | 0 | 0 | 114.4 | V171 H176 R180 | V171-D174 HydrophobicContact CG1-CB 3.95Å; D174-H176 PolarHBondContact O-N 3.13Å; D174-R180 IonicContact OD1-CZ 2.85Å; D174-R180 IonicContact OD1-NE 2.89Å; D174-R180 PolarHBondContact OD1-NE 2.96Å; D174-R180 VanDerWaalsContact OD1-NE 3.12Å; D174-R180 IonicContact OD1-NH2 3.4Å; D174-R180 PolarHBondContact OD1-NH2 2.74Å |
| 175 | S | 75.6 | Confident | 83.2 | Confident | 73 Ų | 73 | 56 Ų | 56 | 51% | 0.51 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -28.1 | -175.8 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | Y173 L179 | Y173-S175 VanDerWaalsContact C-N 3.32Å; Y173-S175 PolarHBondContact O-N 3.03Å; S175-L179 VanDerWaalsContact OG-CD1 3.29Å; S175-L179 WeakPolarHBondContact OG-CD1 3.42Å |
| 176 | H | 81.1 | Confident | 83.6 | Confident | 72 Ų | 72 | 52.6 Ų | 52.6 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | trans | -146.1 | 140.8 | -174.5 | -68.1 | 98.2 | 0 | 0 | 0 | 110.4 | D174 A178 L179 R180 F237 | D174-H176 PolarHBondContact O-N 3.13Å; H176-A178 PolarHBondContact O-N 3.5Å; H176-A178 VanDerWaalsContact O-N 3.17Å; H176-L179 HydrophobicContact CB-CD1 4.19Å; H176-L179 HydrophobicContact CB-CG 4.27Å; H176-L179 WeakPolarHBondContact O-CB 3.43Å; H176-L179 PolarHBondContact O-N 3.07Å; H176-R180 PolarHBondContact O-N 2.83Å; H176-F237 HydrophobicContact CB-CD1 4.12Å; H176-F237 HydrophobicContact CB-CE1 4.46Å; H176-F237 AromaticContact CG-CD1 3.87Å | ||
| 177 | D | 87.1 | Confident | 84 | Confident | 119 Ų | 119 | 53.4 Ų | 53.4 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.2 | -29.4 | 178.6 | -65.8 | -39 | 0 | 0 | 0 | 112.8 | L179 R180 W181 | D177-L179 VanDerWaalsContact C-N 3.29Å; D177-L179 PolarHBondContact O-N 3.46Å; D177-R180 WeakPolarHBondContact O-CB 3.41Å; D177-R180 PolarHBondContact O-N 3.11Å; D177-R180 IonicContact OD1-CZ 2.74Å; D177-R180 IonicContact OD1-NH1 3.19Å; D177-R180 PolarHBondContact OD1-NH1 3.23Å; D177-W181 PolarHBondContact O-N 3.15Å |
| 178 | A | 86.6 | Confident | 84.5 | Confident | 26 Ų | 26 | 57 Ų | 57 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -32.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H176 W181 C182 I233 F237 | H176-A178 PolarHBondContact O-N 3.5Å; H176-A178 VanDerWaalsContact O-N 3.17Å; A178-W181 WeakPolarHBondContact O-CB 3.45Å; A178-W181 PolarHBondContact O-N 2.68Å; A178-C182 PolarHBondContact O-N 3.08Å; A178-C182 PolarHBondContact O-SG 2.96Å; A178-I233 HydrophobicContact CB-CG2 3.7Å; A178-I233 WeakPolarHBondContact O-CG2 3.06Å; A178-F237 HydrophobicContact CB-CD1 4.41Å; A178-F237 HydrophobicContact CB-CD2 3.8Å; A178-F237 HydrophobicContact CB-CE1 4.1Å; A178-F237 HydrophobicContact CB-CE2 3.45Å; A178-F237 VanDerWaalsContact CB-CE2 3.45Å; A178-F237 HydrophobicContact CB-CG 4.27Å; A178-F237 HydrophobicContact CB-CZ 3.61Å |
| 179 | L | 86.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78.9 | -29.8 | 176.3 | -62.6 | 170.7 | 0 | 0 | 0 | 111.6 | Y173 S175 H176 D177 W181 C182 L183 W234 F237 K238 | Y173-L179 WeakPolarHBondContact O-CB 3.31Å; S175-L179 VanDerWaalsContact OG-CD1 3.29Å; S175-L179 WeakPolarHBondContact OG-CD1 3.42Å; H176-L179 HydrophobicContact CB-CD1 4.19Å; H176-L179 HydrophobicContact CB-CG 4.27Å; H176-L179 WeakPolarHBondContact O-CB 3.43Å; H176-L179 PolarHBondContact O-N 3.07Å; D177-L179 VanDerWaalsContact C-N 3.29Å; D177-L179 PolarHBondContact O-N 3.46Å; L179-W181 VanDerWaalsContact C-N 3.3Å; L179-C182 WeakPolarHBondContact O-CB 3.25Å; L179-C182 PolarHBondContact O-N 3.4Å; L179-L183 PolarHBondContact O-N 3.36Å; L179-W234 HydrophobicContact CD2-CD2 4.15Å; L179-W234 HydrophobicContact CD2-CE3 3.57Å; L179-W234 HydrophobicContact CD2-CZ3 3.82Å; L179-F237 HydrophobicContact CD2-CB 4Å; L179-F237 HydrophobicContact CG-CB 4.22Å; L179-K238 HydrophobicContact CD1-CD 4.2Å; L179-K238 HydrophobicContact CD2-CG 4.27Å |
| 180 | R | 90.3 | Very high | 86.3 | Confident | 114 Ų | 114 | 51.3 Ų | 51.3 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -36.2 | 169 | -62.7 | 178.5 | 174.9 | 162.6 | -9.4 | 111.4 | D174 H176 D177 L183 A184 | D174-R180 IonicContact OD1-CZ 2.85Å; D174-R180 IonicContact OD1-NE 2.89Å; D174-R180 PolarHBondContact OD1-NE 2.96Å; D174-R180 VanDerWaalsContact OD1-NE 3.12Å; D174-R180 IonicContact OD1-NH2 3.4Å; D174-R180 PolarHBondContact OD1-NH2 2.74Å; H176-R180 PolarHBondContact O-N 2.83Å; D177-R180 WeakPolarHBondContact O-CB 3.41Å; D177-R180 PolarHBondContact O-N 3.11Å; D177-R180 IonicContact OD1-CZ 2.74Å; D177-R180 IonicContact OD1-NH1 3.19Å; D177-R180 PolarHBondContact OD1-NH1 3.23Å; R180-L183 PolarHBondContact O-N 3.24Å; R180-A184 PolarHBondContact O-N 2.94Å |
| 181 | W | 93.4 | Very high | 87.5 | Confident | 125 Ų | 125 | 54 Ų | 54 | 47% | 0.473 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 169.9 | 173.5 | -101.5 | 0 | 0 | 0 | 112.2 | D177 A178 L179 L183 A184 V185 S229 | D177-W181 PolarHBondContact O-N 3.15Å; A178-W181 WeakPolarHBondContact O-CB 3.45Å; A178-W181 PolarHBondContact O-N 2.68Å; L179-W181 VanDerWaalsContact C-N 3.3Å; W181-L183 VanDerWaalsContact C-N 3.29Å; W181-L183 PolarHBondContact O-N 3.39Å; W181-A184 WeakPolarHBondContact O-CB 3.46Å; W181-A184 PolarHBondContact O-N 3.49Å; W181-A184 VanDerWaalsContact O-N 3.1Å; W181-V185 HydrophobicContact CD2-CG2 4.33Å; W181-V185 HydrophobicContact CZ2-CG2 4Å; W181-V185 WeakPolarHBondContact O-CG2 3.49Å; W181-V185 PolarHBondContact O-N 2.91Å; W181-S229 PolarHBondContact NE1-OG 3.44Å |
| 182 | C | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.4 | -43 | 175.2 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | A178 L179 A184 V185 F186 A230 W234 | A178-C182 PolarHBondContact O-N 3.08Å; A178-C182 PolarHBondContact O-SG 2.96Å; L179-C182 WeakPolarHBondContact O-CB 3.25Å; L179-C182 PolarHBondContact O-N 3.4Å; C182-A184 PolarHBondContact O-N 3.18Å; C182-V185 WeakPolarHBondContact O-CB 3.48Å; C182-V185 PolarHBondContact O-N 3.48Å; C182-F186 HydrophobicContact CB-CE2 4.2Å; C182-F186 HydrophobicContact CB-CZ 4.17Å; C182-F186 WeakPolarHBondContact O-CD1 3.47Å; C182-F186 VanDerWaalsContact O-CD2 3.25Å; C182-F186 WeakPolarHBondContact O-CD2 3.24Å; C182-F186 WeakPolarHBondContact O-CG 3.36Å; C182-F186 PolarHBondContact O-N 3.36Å; C182-A230 HydrophobicContact CB-CB 4.37Å; C182-W234 HydrophobicContact CB-CE3 3.99Å |
| 183 | L | 92.2 | Very high | 89.4 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 174.7 | -179.7 | 67.7 | 0 | 0 | 0 | 111.7 | F164 I167 Y173 L179 R180 W181 V185 F186 C187 | F164-L183 HydrophobicContact CD1-CD1 4.22Å; F164-L183 HydrophobicContact CE1-CD1 4Å; I167-L183 HydrophobicContact CD1-CD1 4.25Å; I167-L183 HydrophobicContact CG2-CD1 4.3Å; Y173-L183 HydrophobicContact CD1-CD2 4.06Å; Y173-L183 HydrophobicContact CD2-CD2 3.62Å; Y173-L183 HydrophobicContact CE1-CD2 4.03Å; Y173-L183 HydrophobicContact CE2-CD2 3.62Å; Y173-L183 HydrophobicContact CG-CD2 3.85Å; L179-L183 PolarHBondContact O-N 3.36Å; R180-L183 PolarHBondContact O-N 3.24Å; W181-L183 VanDerWaalsContact C-N 3.29Å; W181-L183 PolarHBondContact O-N 3.39Å; L183-V185 VanDerWaalsContact C-N 3.32Å; L183-V185 PolarHBondContact O-N 3.18Å; L183-F186 PolarHBondContact O-N 2.9Å; L183-C187 PolarHBondContact O-N 3.36Å; L183-C187 PolarHBondContact O-SG 3.41Å |
| 184 | A | 93.7 | Very high | 90.4 | Very high | 36 Ų | 36 | 50.4 Ų | 50.4 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | R180 W181 C182 F186 C187 I188 | R180-A184 PolarHBondContact O-N 2.94Å; W181-A184 WeakPolarHBondContact O-CB 3.46Å; W181-A184 PolarHBondContact O-N 3.49Å; W181-A184 VanDerWaalsContact O-N 3.1Å; C182-A184 PolarHBondContact O-N 3.18Å; A184-F186 PolarHBondContact O-N 3.44Å; A184-C187 PolarHBondContact O-N 3.46Å; A184-I188 WeakPolarHBondContact O-CB 3.28Å; A184-I188 VanDerWaalsContact O-CG1 3.25Å; A184-I188 WeakPolarHBondContact O-CG1 3.33Å; A184-I188 PolarHBondContact O-N 2.92Å |
| 185 | V | 94.8 | Very high | 91 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 174.3 | 166.6 | 0 | 0 | 0 | 0 | 111 | W181 C182 L183 C187 C189 M226 Y227 A230 | W181-V185 HydrophobicContact CD2-CG2 4.33Å; W181-V185 HydrophobicContact CZ2-CG2 4Å; W181-V185 WeakPolarHBondContact O-CG2 3.49Å; W181-V185 PolarHBondContact O-N 2.91Å; C182-V185 WeakPolarHBondContact O-CB 3.48Å; C182-V185 PolarHBondContact O-N 3.48Å; L183-V185 VanDerWaalsContact C-N 3.32Å; L183-V185 PolarHBondContact O-N 3.18Å; V185-C187 PolarHBondContact O-N 2.88Å; V185-C189 VanDerWaalsContact O-CB 3.31Å; V185-C189 WeakPolarHBondContact O-CB 3.49Å; V185-C189 PolarHBondContact O-N 3.49Å; V185-C189 PolarHBondContact O-SG 2.98Å; V185-M226 HydrophobicContact CB-CB 4.47Å; V185-M226 HydrophobicContact CG1-CB 3.77Å; V185-M226 HydrophobicContact CG2-CB 4.02Å; V185-Y227 HydrophobicContact CG1-CD2 4.17Å; V185-Y227 HydrophobicContact CG1-CE2 4.28Å; V185-Y227 HydrophobicContact CG1-CG 4.44Å; V185-A230 HydrophobicContact CB-CB 4.4Å; V185-A230 HydrophobicContact CG1-CB 4.08Å |
| 186 | F | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 179.2 | -55.8 | -26.6 | 0 | 0 | 0 | 111.6 | I163 F164 I167 C182 L183 A184 F190 Y227 A230 V267 T271 | I163-F186 HydrophobicContact CG2-CD2 3.54Å; I163-F186 HydrophobicContact CG2-CE2 3.61Å; I163-F186 HydrophobicContact CG2-CG 4.14Å; I163-F186 HydrophobicContact CG2-CZ 4.26Å; F164-F186 HydrophobicContact CE1-CB 3.77Å; F164-F186 HydrophobicContact CZ-CB 3.94Å; I167-F186 HydrophobicContact CD1-CD2 4.33Å; I167-F186 HydrophobicContact CD1-CE2 4.17Å; C182-F186 HydrophobicContact CB-CE2 4.2Å; C182-F186 HydrophobicContact CB-CZ 4.17Å; C182-F186 WeakPolarHBondContact O-CD1 3.47Å; C182-F186 VanDerWaalsContact O-CD2 3.25Å; C182-F186 WeakPolarHBondContact O-CD2 3.24Å; C182-F186 WeakPolarHBondContact O-CG 3.36Å; C182-F186 PolarHBondContact O-N 3.36Å; L183-F186 PolarHBondContact O-N 2.9Å; A184-F186 PolarHBondContact O-N 3.44Å; F186-F190 WeakPolarHBondContact O-CB 3.49Å; F186-F190 PolarHBondContact O-N 2.9Å; F186-Y227 AromaticContact CD1-CE1 3.69Å; F186-Y227 HydrophobicContact CD1-CE1 3.69Å; F186-Y227 AromaticContact CD1-CZ 3.75Å; F186-Y227 WeakPolarHBondContact CD1-OH 3.1Å; F186-Y227 HydrophobicContact CE1-CD1 4.4Å; F186-Y227 AromaticContact CE1-CE1 3.72Å; F186-Y227 HydrophobicContact CE1-CE1 3.72Å; F186-A230 HydrophobicContact CE1-CB 3.92Å; F186-A230 HydrophobicContact CZ-CB 4.37Å; F186-V267 HydrophobicContact CE2-CG1 4.4Å; F186-T271 HydrophobicContact CE1-CG2 3.78Å; F186-T271 HydrophobicContact CZ-CG2 4Å; F186-T271 VanDerWaalsContact CZ-OG1 3.29Å; F186-T271 WeakPolarHBondContact CZ-OG1 3Å |
| 187 | C | 94.1 | Very high | 92.2 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 30% | 0.297 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.2 | -50 | 178.9 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | F164 L183 A184 V185 C189 F190 I191 | F164-C187 HydrophobicContact CZ-CB 4.49Å; L183-C187 PolarHBondContact O-N 3.36Å; L183-C187 PolarHBondContact O-SG 3.41Å; A184-C187 PolarHBondContact O-N 3.46Å; V185-C187 PolarHBondContact O-N 2.88Å; C187-C189 PolarHBondContact O-N 3.16Å; C187-F190 PolarHBondContact O-N 3.19Å; C187-I191 WeakPolarHBondContact O-CB 3.36Å; C187-I191 VanDerWaalsContact O-CG1 3.25Å; C187-I191 WeakPolarHBondContact O-CG1 3.2Å; C187-I191 PolarHBondContact O-N 2.93Å |
| 188 | I | 94.9 | Very high | 92.3 | Very high | 77 Ų | 77 | 40.1 Ų | 40.1 | 40% | 0.395 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -48.4 | -178.6 | -68.9 | 166.3 | 0 | 0 | 0 | 109.9 | A184 F190 I191 L192 M226 | A184-I188 WeakPolarHBondContact O-CB 3.28Å; A184-I188 VanDerWaalsContact O-CG1 3.25Å; A184-I188 WeakPolarHBondContact O-CG1 3.33Å; A184-I188 PolarHBondContact O-N 2.92Å; I188-F190 PolarHBondContact O-N 2.98Å; I188-I191 PolarHBondContact O-N 3.16Å; I188-L192 HydrophobicContact CG2-CD1 3.84Å; I188-L192 WeakPolarHBondContact O-CB 3.26Å; I188-L192 VanDerWaalsContact O-CG 3.27Å; I188-L192 WeakPolarHBondContact O-CG 3.27Å; I188-L192 PolarHBondContact O-N 3.42Å; I188-M226 HydrophobicContact CG2-CE 3.98Å; I188-M226 HydrophobicContact CG2-SD 4.33Å |
| 189 | C | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | -179.7 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | V185 C187 L192 S193 Y219 M226 Y227 Y278 | V185-C189 VanDerWaalsContact O-CB 3.31Å; V185-C189 WeakPolarHBondContact O-CB 3.49Å; V185-C189 PolarHBondContact O-N 3.49Å; V185-C189 PolarHBondContact O-SG 2.98Å; C187-C189 PolarHBondContact O-N 3.16Å; C189-L192 PolarHBondContact O-N 3.32Å; C189-S193 PolarHBondContact O-N 3.37Å; C189-Y219 PolarHBondContact O-OH 3.02Å; C189-M226 VanDerWaalsContact SG-CE 3.53Å; C189-Y227 HydrophobicContact CB-CD2 4.29Å; C189-Y227 HydrophobicContact CB-CE2 3.52Å; C189-Y227 VanDerWaalsContact SG-CE2 3.57Å; C189-Y278 HydrophobicContact CB-CE2 4.45Å; C189-Y278 WeakPolarHBondContact CB-OH 3.35Å |
| 190 | F | 94.2 | Very high | 92.3 | Very high | 57 Ų | 57 | 41 Ų | 41 | 25% | 0.25 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.7 | -51.1 | 176.1 | 173.6 | -104.7 | 0 | 0 | 0 | 112.2 | T157 A160 C161 F164 F186 C187 I188 L192 S193 A194 | T157-F190 HydrophobicContact CG2-CD2 4.26Å; T157-F190 HydrophobicContact CG2-CE2 4.45Å; A160-F190 HydrophobicContact CB-CB 4.13Å; A160-F190 HydrophobicContact CB-CD2 4.01Å; A160-F190 HydrophobicContact CB-CG 4.47Å; C161-F190 WeakPolarHBondContact SG-CE2 3.37Å; F164-F190 HydrophobicContact CE2-CB 4Å; F164-F190 HydrophobicContact CE2-CD1 4.04Å; F164-F190 HydrophobicContact CE2-CD2 4.38Å; F164-F190 AromaticContact CE2-CG 3.87Å; F164-F190 HydrophobicContact CE2-CG 3.87Å; F164-F190 HydrophobicContact CZ-CB 4.25Å; F186-F190 WeakPolarHBondContact O-CB 3.49Å; F186-F190 PolarHBondContact O-N 2.9Å; C187-F190 PolarHBondContact O-N 3.19Å; I188-F190 PolarHBondContact O-N 2.98Å; F190-L192 VanDerWaalsContact C-N 3.32Å; F190-L192 PolarHBondContact O-N 2.82Å; F190-S193 PolarHBondContact O-N 2.89Å; F190-A194 WeakPolarHBondContact O-CB 3.34Å; F190-A194 PolarHBondContact O-N 3.16Å |
| 191 | I | 94.9 | Very high | 92.1 | Very high | 108 Ų | 108 | 36.8 Ų | 36.8 | 55% | 0.554 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -60.1 | -44.3 | -179.1 | -69.5 | 166.7 | 0 | 0 | 0 | 110.4 | C187 I188 A194 A195 | C187-I191 WeakPolarHBondContact O-CB 3.36Å; C187-I191 VanDerWaalsContact O-CG1 3.25Å; C187-I191 WeakPolarHBondContact O-CG1 3.2Å; C187-I191 PolarHBondContact O-N 2.93Å; I188-I191 PolarHBondContact O-N 3.16Å; I191-A194 PolarHBondContact O-N 3.46Å; I191-A195 VanDerWaalsContact O-CB 3.26Å; I191-A195 WeakPolarHBondContact O-CB 3.44Å; I191-A195 PolarHBondContact O-N 2.82Å |
| 192 | L | 92.8 | Very high | 91.7 | Very high | 55 Ų | 55 | 33.5 Ų | 33.5 | 29% | 0.288 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.1 | -45.9 | 179.9 | -68.8 | 174.2 | 0 | 0 | 0 | 112.3 | I188 C189 F190 A194 A195 I196 Y219 | I188-L192 HydrophobicContact CG2-CD1 3.84Å; I188-L192 WeakPolarHBondContact O-CB 3.26Å; I188-L192 VanDerWaalsContact O-CG 3.27Å; I188-L192 WeakPolarHBondContact O-CG 3.27Å; I188-L192 PolarHBondContact O-N 3.42Å; C189-L192 PolarHBondContact O-N 3.32Å; F190-L192 VanDerWaalsContact C-N 3.32Å; F190-L192 PolarHBondContact O-N 2.82Å; L192-A194 PolarHBondContact O-N 3.05Å; L192-A195 PolarHBondContact O-N 3.5Å; L192-I196 VanDerWaalsContact O-CG1 3.32Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 3.47Å; L192-Y219 HydrophobicContact CB-CD2 3.97Å; L192-Y219 HydrophobicContact CB-CE2 3.42Å; L192-Y219 VanDerWaalsContact CB-CE2 3.42Å; L192-Y219 HydrophobicContact CD1-CD2 3.82Å; L192-Y219 HydrophobicContact CD1-CE2 3.66Å; L192-Y219 HydrophobicContact CG-CE2 4.19Å |
| 193 | S | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 175 | -77.6 | 0 | 0 | 0 | 0 | 111.6 | E156 C189 F190 I196 I197 Y219 Y278 | E156-S193 PolarHBondContact OE2-OG 2.99Å; C189-S193 PolarHBondContact O-N 3.37Å; F190-S193 PolarHBondContact O-N 2.89Å; S193-I196 WeakPolarHBondContact O-CB 3.38Å; S193-I196 PolarHBondContact O-N 3.44Å; S193-I197 VanDerWaalsContact O-CG1 3.31Å; S193-I197 WeakPolarHBondContact O-CG1 3.16Å; S193-I197 PolarHBondContact O-N 3.22Å; S193-Y219 WeakPolarHBondContact OG-CE1 3.43Å; S193-Y219 PolarHBondContact OG-OH 3.25Å; S193-Y278 PolarHBondContact OG-OH 3.29Å |
| 194 | A | 93 | Very high | 90.6 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T157 F190 I191 L192 I196 I197 V198 | T157-A194 HydrophobicContact CG2-CB 4.46Å; F190-A194 WeakPolarHBondContact O-CB 3.34Å; F190-A194 PolarHBondContact O-N 3.16Å; I191-A194 PolarHBondContact O-N 3.46Å; L192-A194 PolarHBondContact O-N 3.05Å; A194-I196 PolarHBondContact O-N 3.48Å; A194-I197 PolarHBondContact O-N 3.14Å; A194-I197 VanDerWaalsContact O-N 3.15Å; A194-V198 WeakPolarHBondContact O-CG2 3.27Å; A194-V198 PolarHBondContact O-N 2.93Å |
| 195 | A | 91.8 | Very high | 89.9 | Confident | 45 Ų | 45 | 40.6 Ų | 40.6 | 37% | 0.372 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I191 L192 I197 V198 L199 | I191-A195 VanDerWaalsContact O-CB 3.26Å; I191-A195 WeakPolarHBondContact O-CB 3.44Å; I191-A195 PolarHBondContact O-N 2.82Å; L192-A195 PolarHBondContact O-N 3.5Å; A195-I197 VanDerWaalsContact C-N 3.3Å; A195-I197 PolarHBondContact O-N 3.4Å; A195-V198 PolarHBondContact O-N 2.85Å; A195-L199 WeakPolarHBondContact O-CB 3.35Å; A195-L199 VanDerWaalsContact O-CG 3.23Å; A195-L199 WeakPolarHBondContact O-CG 3.47Å; A195-L199 PolarHBondContact O-N 3.46Å |
| 196 | I | 90.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 173.4 | -69.4 | 160.9 | 0 | 0 | 0 | 110.3 | Y144 K153 L192 S193 A194 L199 C200 F212 F215 L216 Y219 | Y144-I196 HydrophobicContact CE1-CG2 4.48Å; K153-I196 HydrophobicContact CD-CD1 4.32Å; K153-I196 HydrophobicContact CD-CG2 4.46Å; L192-I196 VanDerWaalsContact O-CG1 3.32Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 3.47Å; S193-I196 WeakPolarHBondContact O-CB 3.38Å; S193-I196 PolarHBondContact O-N 3.44Å; A194-I196 PolarHBondContact O-N 3.48Å; I196-L199 PolarHBondContact O-N 3.24Å; I196-C200 PolarHBondContact O-N 3.4Å; I196-C200 PolarHBondContact O-SG 3.38Å; I196-F212 HydrophobicContact CG2-CZ 4.35Å; I196-F215 HydrophobicContact CD1-CE1 4.06Å; I196-F215 HydrophobicContact CG1-CE1 3.81Å; I196-L216 HydrophobicContact CD1-CD2 3.96Å; I196-L216 HydrophobicContact CG1-CD2 4.35Å; I196-L216 HydrophobicContact CG2-CD2 3.82Å; I196-Y219 HydrophobicContact CD1-CD1 3.52Å; I196-Y219 HydrophobicContact CD1-CE1 3.78Å; I196-Y219 HydrophobicContact CD1-CG 4.19Å |
| 197 | I | 90.9 | Very high | 87.7 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 180 | -66.9 | 167.5 | 0 | 0 | 0 | 111.5 | T79 Y83 M145 K153 V154 T157 S193 A194 A195 C200 I201 | T79-I197 HydrophobicContact CG2-CG2 3.99Å; Y83-I197 WeakPolarHBondContact OH-CD1 3.48Å; M145-I197 VanDerWaalsContact CE-CA 3.44Å; M145-I197 HydrophobicContact CE-CB 3.89Å; M145-I197 HydrophobicContact CE-CG1 3.79Å; M145-I197 HydrophobicContact CE-CG2 3.91Å; K153-I197 HydrophobicContact CB-CD1 4.27Å; K153-I197 HydrophobicContact CB-CG1 4.2Å; V154-I197 HydrophobicContact CG2-CD1 4.23Å; T157-I197 HydrophobicContact CG2-CD1 3.82Å; S193-I197 VanDerWaalsContact O-CG1 3.31Å; S193-I197 WeakPolarHBondContact O-CG1 3.16Å; S193-I197 PolarHBondContact O-N 3.22Å; A194-I197 PolarHBondContact O-N 3.14Å; A194-I197 VanDerWaalsContact O-N 3.15Å; A195-I197 VanDerWaalsContact C-N 3.3Å; A195-I197 PolarHBondContact O-N 3.4Å; I197-C200 PolarHBondContact O-N 3.36Å; I197-I201 HydrophobicContact CG2-CD1 3.74Å; I197-I201 HydrophobicContact CG2-CG1 4.43Å; I197-I201 WeakPolarHBondContact O-CG1 3.19Å; I197-I201 PolarHBondContact O-N 2.9Å |
| 198 | V | 90.1 | Very high | 86.8 | Confident | 85 Ų | 85 | 49 Ų | 49 | 52% | 0.515 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | A194 A195 C200 I201 C202 | A194-V198 WeakPolarHBondContact O-CG2 3.27Å; A194-V198 PolarHBondContact O-N 2.93Å; A195-V198 PolarHBondContact O-N 2.85Å; V198-C200 VanDerWaalsContact C-N 3.28Å; V198-C200 PolarHBondContact O-N 3.36Å; V198-I201 PolarHBondContact O-N 3.05Å; V198-C202 WeakPolarHBondContact O-CB 3.32Å; V198-C202 PolarHBondContact O-N 2.75Å; V198-C202 PolarHBondContact O-SG 2.82Å; V198-C202 VanDerWaalsContact O-SG 3.4Å |
| 199 | L | 87.7 | Confident | 85.9 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 176.9 | -73.7 | 172.2 | 0 | 0 | 0 | 112.1 | A195 I196 E203 C204 L208 | A195-L199 WeakPolarHBondContact O-CB 3.35Å; A195-L199 VanDerWaalsContact O-CG 3.23Å; A195-L199 WeakPolarHBondContact O-CG 3.47Å; A195-L199 PolarHBondContact O-N 3.46Å; I196-L199 PolarHBondContact O-N 3.24Å; L199-E203 PolarHBondContact O-N 2.98Å; L199-E203 VanDerWaalsContact O-N 3.15Å; L199-C204 HydrophobicContact CD2-CB 3.84Å; L199-C204 PolarHBondContact O-N 3.47Å; L199-L208 HydrophobicContact CD1-CD1 4.23Å |
| 200 | C | 85.9 | Confident | 85.2 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71 | -39.1 | 176.7 | -67.7 | 0 | 0 | 0 | 0 | 113 | N75 Y144 M145 I196 I197 V198 E203 | N75-C200 PolarHBondContact ND2-O 2.99Å; Y144-C200 HydrophobicContact CD1-CB 4.25Å; Y144-C200 WeakPolarHBondContact CD1-SG 3.41Å; M145-C200 HydrophobicContact CE-CB 3.45Å; M145-C200 VanDerWaalsContact CE-CB 3.45Å; M145-C200 HydrophobicContact CG-CB 4.29Å; I196-C200 PolarHBondContact O-N 3.4Å; I196-C200 PolarHBondContact O-SG 3.38Å; I197-C200 PolarHBondContact O-N 3.36Å; V198-C200 VanDerWaalsContact C-N 3.28Å; V198-C200 PolarHBondContact O-N 3.36Å; C200-E203 PolarHBondContact O-N 3.22Å |
| 201 | I | 86.1 | Confident | 84.6 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 13% | 0.128 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67 | -39.1 | 177.3 | -68.4 | 169.6 | 0 | 0 | 0 | 110.9 | V71 S72 F76 T79 I197 V198 E203 | V71-I201 HydrophobicContact CB-CG2 4.03Å; V71-I201 HydrophobicContact CG1-CG2 4.07Å; S72-I201 WeakPolarHBondContact CB-O 3.4Å; S72-I201 PolarHBondContact N-O 3.41Å; F76-I201 HydrophobicContact CB-CG2 4.32Å; F76-I201 HydrophobicContact CD2-CG2 4.14Å; T79-I201 HydrophobicContact CG2-CD1 4Å; I197-I201 HydrophobicContact CG2-CD1 3.74Å; I197-I201 HydrophobicContact CG2-CG1 4.43Å; I197-I201 WeakPolarHBondContact O-CG1 3.19Å; I197-I201 PolarHBondContact O-N 2.9Å; V198-I201 PolarHBondContact O-N 3.05Å; I201-E203 VanDerWaalsContact C-N 3.29Å; I201-E203 PolarHBondContact O-N 3.4Å |
| 202 | C | 84.5 | Confident | 84 | Confident | 56 Ų | 56 | 54.9 Ų | 54.9 | 38% | 0.378 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.3 | 179.1 | -62 | 0 | 0 | 0 | 0 | 113.7 | V198 C204 | V198-C202 WeakPolarHBondContact O-CB 3.32Å; V198-C202 PolarHBondContact O-N 2.75Å; V198-C202 PolarHBondContact O-SG 2.82Å; V198-C202 VanDerWaalsContact O-SG 3.4Å; C202-C204 HydrophobicContact CB-CB 4.45Å; C202-C204 VanDerWaalsContact CB-SG 3.56Å; C202-C204 PolarHBondContact O-N 2.83Å; C202-C204 VanDerWaalsContact O-N 3.1Å; C202-C204 PolarHBondContact O-SG 3.31Å; C202-C204 VanDerWaalsContact O-SG 3.37Å |
| 203 | E | 82.9 | Confident | 83.5 | Confident | 117 Ų | 117 | 54.9 Ų | 54.9 | 55% | 0.547 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 23 | -173.1 | -78.4 | 173.1 | -171.6 | 0 | 0 | 114.2 | S72 L199 C200 I201 T205 | S72-E203 WeakPolarHBondContact CB-OE1 3.3Å; S72-E203 PolarHBondContact OG-OE1 2.93Å; L199-E203 PolarHBondContact O-N 2.98Å; L199-E203 VanDerWaalsContact O-N 3.15Å; C200-E203 PolarHBondContact O-N 3.22Å; I201-E203 VanDerWaalsContact C-N 3.29Å; I201-E203 PolarHBondContact O-N 3.4Å; E203-T205 PolarHBondContact O-N 3.03Å |
| 204 | C | 78.2 | Confident | 83 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 32% | 0.324 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -84.8 | 21.5 | 179.8 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | L199 C202 G206 C207 | L199-C204 HydrophobicContact CD2-CB 3.84Å; L199-C204 PolarHBondContact O-N 3.47Å; C202-C204 HydrophobicContact CB-CB 4.45Å; C202-C204 VanDerWaalsContact CB-SG 3.56Å; C202-C204 PolarHBondContact O-N 2.83Å; C202-C204 VanDerWaalsContact O-N 3.1Å; C202-C204 PolarHBondContact O-SG 3.31Å; C202-C204 VanDerWaalsContact O-SG 3.37Å; C204-G206 PolarHBondContact O-N 3.38Å; C204-C207 WeakPolarHBondContact O-CB 3.46Å; C204-C207 PolarHBondContact O-N 2.83Å; C204-C207 VanDerWaalsContact O-N 3.13Å |
| 205 | T | 78 | Confident | 82.7 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 33% | 0.331 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -64.5 | -25.7 | -178.3 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | E203 C207 F212 | E203-T205 PolarHBondContact O-N 3.03Å; T205-C207 VanDerWaalsContact C-N 3.32Å; T205-C207 PolarHBondContact O-N 3.45Å; T205-F212 HydrophobicContact CG2-CD2 4.25Å; T205-F212 HydrophobicContact CG2-CE1 4.49Å; T205-F212 HydrophobicContact CG2-CE2 4.08Å; T205-F212 HydrophobicContact CG2-CZ 4.22Å |
| 206 | G | 70.4 | Confident | 82.5 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 74% | 0.742 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -77.1 | -8.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C204 L208 | C204-G206 PolarHBondContact O-N 3.38Å; G206-L208 PolarHBondContact O-N 2.88Å |
| 207 | C | 74.3 | Confident | 82.3 | Confident | 102 Ų | 102 | 65.1 Ų | 65.1 | 69% | 0.689 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -76 | -11.7 | 175.9 | -61 | 0 | 0 | 0 | 0 | 112.8 | C204 T205 | C204-C207 WeakPolarHBondContact O-CB 3.46Å; C204-C207 PolarHBondContact O-N 2.83Å; C204-C207 VanDerWaalsContact O-N 3.13Å; T205-C207 VanDerWaalsContact C-N 3.32Å; T205-C207 PolarHBondContact O-N 3.45Å |
| 208 | L | 75.1 | Confident | 82.2 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 25% | 0.246 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -78.6 | 132.9 | 179.3 | -73.2 | 162.9 | 0 | 0 | 0 | 110.3 | L199 G206 F210 F212 F215 | L199-L208 HydrophobicContact CD1-CD1 4.23Å; G206-L208 PolarHBondContact O-N 2.88Å; L208-F210 PolarHBondContact O-N 3.32Å; L208-F210 VanDerWaalsContact O-N 3.08Å; L208-F212 HydrophobicContact CD1-CD2 3.95Å; L208-F215 HydrophobicContact CD1-CD1 4.49Å |
| 209 | P | 75.5 | Confident | 82.2 | Confident | 108 Ų | 108 | 64 Ų | 64 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -70.4 | -2.1 | 178.7 | 27.4 | -33.1 | 0 | 0 | 0 | 113.8 | ||
| 210 | F | 78.6 | Confident | 82.4 | Confident | 144 Ų | 144 | 62 Ų | 62 | 63% | 0.632 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -129 | 157.7 | -176.7 | -48.5 | -69.7 | 0 | 0 | 0 | 111.4 | L208 F212 | L208-F210 PolarHBondContact O-N 3.32Å; L208-F210 VanDerWaalsContact O-N 3.08Å; F210-F212 PolarHBondContact O-N 2.8Å |
| 211 | P | 83 | Confident | 82.8 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | trans | -58.7 | 123.6 | 176.4 | -21.9 | 32.5 | 0 | 0 | 0 | 111.7 | A213 R214 F215 | P211-A213 PolarHBondContact O-N 2.93Å; P211-A213 VanDerWaalsContact O-N 3.15Å; P211-R214 HydrophobicContact CB-CB 4.45Å; P211-R214 HydrophobicContact CB-CG 4.24Å; P211-R214 PolarHBondContact O-N 3.08Å; P211-F215 PolarHBondContact O-N 3.45Å | ||
| 212 | F | 81.9 | Confident | 83.1 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 19% | 0.193 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -51.8 | -40.9 | -176.6 | -178.4 | -114.4 | 0 | 0 | 0 | 113.2 | Y144 I196 T205 L208 F210 R214 F215 L216 | Y144-F212 HydrophobicContact CD2-CE1 4.07Å; Y144-F212 HydrophobicContact CE2-CE1 4.1Å; Y144-F212 HydrophobicContact CG-CE1 4.37Å; I196-F212 HydrophobicContact CG2-CZ 4.35Å; T205-F212 HydrophobicContact CG2-CD2 4.25Å; T205-F212 HydrophobicContact CG2-CE1 4.49Å; T205-F212 HydrophobicContact CG2-CE2 4.08Å; T205-F212 HydrophobicContact CG2-CZ 4.22Å; L208-F212 HydrophobicContact CD1-CD2 3.95Å; F210-F212 PolarHBondContact O-N 2.8Å; F212-R214 VanDerWaalsContact C-N 3.34Å; F212-R214 PolarHBondContact O-N 3.2Å; F212-F215 PolarHBondContact O-N 3.41Å; F212-L216 HydrophobicContact CD1-CD1 3.73Å; F212-L216 HydrophobicContact CD1-CG 4.4Å; F212-L216 HydrophobicContact CE1-CD1 3.32Å; F212-L216 HydrophobicContact CE1-CG 4.06Å; F212-L216 HydrophobicContact CE2-CD1 4.35Å; F212-L216 HydrophobicContact CE2-CD2 4.36Å; F212-L216 HydrophobicContact CE2-CG 4.22Å; F212-L216 HydrophobicContact CG-CD1 4.42Å; F212-L216 HydrophobicContact CZ-CD1 3.66Å; F212-L216 HydrophobicContact CZ-CD2 4.04Å; F212-L216 HydrophobicContact CZ-CG 3.95Å; F212-L216 WeakPolarHBondContact O-CG 3.33Å; F212-L216 PolarHBondContact O-N 3.02Å |
| 213 | A | 81.6 | Confident | 83.6 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P211 S217 | P211-A213 PolarHBondContact O-N 2.93Å; P211-A213 VanDerWaalsContact O-N 3.15Å; A213-S217 PolarHBondContact O-N 2.84Å; A213-S217 VanDerWaalsContact O-N 3.08Å; A213-S217 PolarHBondContact O-OG 3.49Å |
| 214 | R | 83.6 | Confident | 84.2 | Confident | 178 Ų | 178 | 61.6 Ų | 61.6 | 67% | 0.672 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -72.7 | -36.5 | 176.3 | -68.7 | -175.8 | -175.5 | 165.7 | 1.2 | 111.7 | P211 F212 S217 A218 | P211-R214 HydrophobicContact CB-CB 4.45Å; P211-R214 HydrophobicContact CB-CG 4.24Å; P211-R214 PolarHBondContact O-N 3.08Å; F212-R214 VanDerWaalsContact C-N 3.34Å; F212-R214 PolarHBondContact O-N 3.2Å; R214-S217 PolarHBondContact O-OG 3.48Å; R214-S217 VanDerWaalsContact O-OG 3.07Å; R214-A218 VanDerWaalsContact O-CB 3.31Å; R214-A218 WeakPolarHBondContact O-CB 3.45Å; R214-A218 PolarHBondContact O-N 3.47Å |
| 215 | F | 86.2 | Confident | 85.1 | Confident | 67 Ų | 67 | 62 Ų | 62 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 174.5 | 175.9 | -104.8 | 0 | 0 | 0 | 111.2 | I196 L208 P211 F212 S217 A218 Y219 | I196-F215 HydrophobicContact CD1-CE1 4.06Å; I196-F215 HydrophobicContact CG1-CE1 3.81Å; L208-F215 HydrophobicContact CD1-CD1 4.49Å; P211-F215 PolarHBondContact O-N 3.45Å; F212-F215 PolarHBondContact O-N 3.41Å; F215-S217 PolarHBondContact O-N 3.15Å; F215-A218 PolarHBondContact O-N 3.03Å; F215-Y219 VanDerWaalsContact O-CB 3.3Å; F215-Y219 WeakPolarHBondContact O-CB 3.31Å; F215-Y219 PolarHBondContact O-N 2.93Å |
| 216 | L | 87 | Confident | 85.9 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 176.2 | -74.6 | 173.8 | 0 | 0 | 0 | 112.4 | Y144 I196 F212 Y219 A220 | Y144-L216 HydrophobicContact CE2-CD1 3.71Å; I196-L216 HydrophobicContact CD1-CD2 3.96Å; I196-L216 HydrophobicContact CG1-CD2 4.35Å; I196-L216 HydrophobicContact CG2-CD2 3.82Å; F212-L216 HydrophobicContact CD1-CD1 3.73Å; F212-L216 HydrophobicContact CD1-CG 4.4Å; F212-L216 HydrophobicContact CE1-CD1 3.32Å; F212-L216 HydrophobicContact CE1-CG 4.06Å; F212-L216 HydrophobicContact CE2-CD1 4.35Å; F212-L216 HydrophobicContact CE2-CD2 4.36Å; F212-L216 HydrophobicContact CE2-CG 4.22Å; F212-L216 HydrophobicContact CG-CD1 4.42Å; F212-L216 HydrophobicContact CZ-CD1 3.66Å; F212-L216 HydrophobicContact CZ-CD2 4.04Å; F212-L216 HydrophobicContact CZ-CG 3.95Å; F212-L216 WeakPolarHBondContact O-CG 3.33Å; F212-L216 PolarHBondContact O-N 3.02Å; L216-Y219 PolarHBondContact O-N 3.07Å; L216-A220 WeakPolarHBondContact O-CB 3.31Å; L216-A220 PolarHBondContact O-N 3.2Å |
| 217 | S | 86.8 | Confident | 87 | Confident | 33 Ų | 33 | 57 Ų | 57 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.2 | -42.9 | -179.6 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | A213 R214 F215 Y219 A220 V221 | A213-S217 PolarHBondContact O-N 2.84Å; A213-S217 VanDerWaalsContact O-N 3.08Å; A213-S217 PolarHBondContact O-OG 3.49Å; R214-S217 PolarHBondContact O-OG 3.48Å; R214-S217 VanDerWaalsContact O-OG 3.07Å; F215-S217 PolarHBondContact O-N 3.15Å; S217-Y219 VanDerWaalsContact C-N 3.34Å; S217-Y219 PolarHBondContact O-N 3.42Å; S217-A220 PolarHBondContact O-N 3.38Å; S217-V221 WeakPolarHBondContact O-CG2 3.32Å; S217-V221 PolarHBondContact O-N 3.2Å; S217-V221 VanDerWaalsContact O-N 3.11Å |
| 218 | A | 89.1 | Confident | 88.1 | Confident | 61 Ų | 61 | 56.4 Ų | 56.4 | 50% | 0.504 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R214 F215 V221 L222 | R214-A218 VanDerWaalsContact O-CB 3.31Å; R214-A218 WeakPolarHBondContact O-CB 3.45Å; R214-A218 PolarHBondContact O-N 3.47Å; F215-A218 PolarHBondContact O-N 3.03Å; A218-V221 PolarHBondContact O-N 3.29Å; A218-L222 WeakPolarHBondContact O-CB 3.44Å; A218-L222 PolarHBondContact O-N 3.36Å; A218-L222 VanDerWaalsContact O-N 3.08Å |
| 219 | Y | 90.8 | Very high | 89 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 175 | 170.9 | -115.3 | 0 | 0 | 0 | 112 | K153 C189 L192 S193 I196 F215 L216 S217 V221 L222 A223 Y278 | K153-Y219 HydrophobicContact CD-CE1 4.31Å; C189-Y219 PolarHBondContact O-OH 3.02Å; L192-Y219 HydrophobicContact CB-CD2 3.97Å; L192-Y219 HydrophobicContact CB-CE2 3.42Å; L192-Y219 VanDerWaalsContact CB-CE2 3.42Å; L192-Y219 HydrophobicContact CD1-CD2 3.82Å; L192-Y219 HydrophobicContact CD1-CE2 3.66Å; L192-Y219 HydrophobicContact CG-CE2 4.19Å; S193-Y219 WeakPolarHBondContact OG-CE1 3.43Å; S193-Y219 PolarHBondContact OG-OH 3.25Å; I196-Y219 HydrophobicContact CD1-CD1 3.52Å; I196-Y219 HydrophobicContact CD1-CE1 3.78Å; I196-Y219 HydrophobicContact CD1-CG 4.19Å; F215-Y219 VanDerWaalsContact O-CB 3.3Å; F215-Y219 WeakPolarHBondContact O-CB 3.31Å; F215-Y219 PolarHBondContact O-N 2.93Å; L216-Y219 PolarHBondContact O-N 3.07Å; S217-Y219 VanDerWaalsContact C-N 3.34Å; S217-Y219 PolarHBondContact O-N 3.42Å; Y219-V221 VanDerWaalsContact C-N 3.34Å; Y219-V221 PolarHBondContact O-N 2.87Å; Y219-L222 PolarHBondContact O-N 2.95Å; Y219-A223 HydrophobicContact CE2-CB 4.11Å; Y219-A223 WeakPolarHBondContact O-CB 3.45Å; Y219-A223 PolarHBondContact O-N 3.11Å; Y219-Y278 HydrophobicContact CE1-CE1 4.03Å; Y219-Y278 AromaticContact CZ-CE1 3.91Å; Y219-Y278 WeakPolarHBondContact OH-CE1 3.42Å; Y219-Y278 PolarHBondContact OH-OH 3.42Å |
| 220 | A | 91.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L216 S217 A223 V224 L282 | L216-A220 WeakPolarHBondContact O-CB 3.31Å; L216-A220 PolarHBondContact O-N 3.2Å; S217-A220 PolarHBondContact O-N 3.38Å; A220-A223 PolarHBondContact O-N 3.13Å; A220-V224 VanDerWaalsContact O-CG2 3.32Å; A220-V224 WeakPolarHBondContact O-CG2 3.48Å; A220-V224 PolarHBondContact O-N 3.37Å; A220-L282 HydrophobicContact CB-CB 4.09Å; A220-L282 HydrophobicContact CB-CD1 3.91Å |
| 221 | V | 93.1 | Very high | 90.7 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | S217 A218 Y219 V224 A225 L282 | S217-V221 WeakPolarHBondContact O-CG2 3.32Å; S217-V221 PolarHBondContact O-N 3.2Å; S217-V221 VanDerWaalsContact O-N 3.11Å; A218-V221 PolarHBondContact O-N 3.29Å; Y219-V221 VanDerWaalsContact C-N 3.34Å; Y219-V221 PolarHBondContact O-N 2.87Å; V221-V224 PolarHBondContact O-N 3.43Å; V221-A225 PolarHBondContact O-N 3.28Å; V221-A225 VanDerWaalsContact O-N 3.1Å; V221-L282 HydrophobicContact CG2-CD1 3.49Å; V221-L282 VanDerWaalsContact CG2-CD1 3.49Å; V221-L282 HydrophobicContact CG2-CD2 4.41Å |
| 222 | L | 94.2 | Very high | 91.2 | Very high | 89 Ų | 89 | 46.5 Ų | 46.5 | 47% | 0.466 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 179.6 | -179.1 | 67.2 | 0 | 0 | 0 | 111.5 | A218 Y219 A225 M226 | A218-L222 WeakPolarHBondContact O-CB 3.44Å; A218-L222 PolarHBondContact O-N 3.36Å; A218-L222 VanDerWaalsContact O-N 3.08Å; Y219-L222 PolarHBondContact O-N 2.95Å; L222-A225 PolarHBondContact O-N 3.13Å; L222-M226 HydrophobicContact CD1-CE 4.33Å; L222-M226 HydrophobicContact CD1-CG 4.45Å; L222-M226 HydrophobicContact CD2-CE 3.88Å; L222-M226 HydrophobicContact CG-CE 3.57Å; L222-M226 HydrophobicContact CG-SD 4.4Å; L222-M226 WeakPolarHBondContact O-CG 3.2Å; L222-M226 PolarHBondContact O-N 3.09Å |
| 223 | A | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y219 A220 A225 M226 Y227 Y278 | Y219-A223 HydrophobicContact CE2-CB 4.11Å; Y219-A223 WeakPolarHBondContact O-CB 3.45Å; Y219-A223 PolarHBondContact O-N 3.11Å; A220-A223 PolarHBondContact O-N 3.13Å; A223-A225 PolarHBondContact O-N 3.27Å; A223-M226 PolarHBondContact O-N 2.96Å; A223-Y227 WeakPolarHBondContact O-CB 3.49Å; A223-Y227 PolarHBondContact O-N 2.91Å; A223-Y278 HydrophobicContact CB-CD1 3.37Å; A223-Y278 HydrophobicContact CB-CD2 4.43Å; A223-Y278 HydrophobicContact CB-CE1 3.48Å; A223-Y278 VanDerWaalsContact CB-CE1 3.48Å; A223-Y278 HydrophobicContact CB-CG 3.89Å |
| 224 | V | 95.9 | Very high | 92.2 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 12% | 0.121 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 174 | 168.5 | 0 | 0 | 0 | 0 | 111 | A220 V221 M226 Y227 L228 L275 Y278 L279 L282 | A220-V224 VanDerWaalsContact O-CG2 3.32Å; A220-V224 WeakPolarHBondContact O-CG2 3.48Å; A220-V224 PolarHBondContact O-N 3.37Å; V221-V224 PolarHBondContact O-N 3.43Å; V224-M226 PolarHBondContact O-N 3.47Å; V224-Y227 PolarHBondContact O-N 3.47Å; V224-L228 WeakPolarHBondContact O-CB 3.37Å; V224-L228 PolarHBondContact O-N 3.43Å; V224-L275 HydrophobicContact CG1-CD1 4.27Å; V224-Y278 WeakPolarHBondContact CG2-O 3.39Å; V224-L279 HydrophobicContact CB-CD2 4.47Å; V224-L279 HydrophobicContact CG1-CD2 3.55Å; V224-L279 HydrophobicContact CG1-CG 4.21Å; V224-L279 HydrophobicContact CG2-CD2 3.99Å; V224-L279 HydrophobicContact CG2-CG 4.18Å; V224-L282 HydrophobicContact CG2-CB 4.24Å; V224-L282 HydrophobicContact CG2-CD2 4.04Å |
| 225 | A | 95.7 | Very high | 92.5 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 47% | 0.471 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | V221 L222 A223 L228 S229 | V221-A225 PolarHBondContact O-N 3.28Å; V221-A225 VanDerWaalsContact O-N 3.1Å; L222-A225 PolarHBondContact O-N 3.13Å; A223-A225 PolarHBondContact O-N 3.27Å; A225-L228 PolarHBondContact O-N 3.15Å; A225-S229 PolarHBondContact O-N 3.33Å |
| 226 | M | 94.7 | Very high | 92.6 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -48.6 | 177.9 | -71 | -167.1 | -73.8 | 0 | 0 | 111.8 | V185 I188 C189 L222 A223 V224 L228 S229 A230 | V185-M226 HydrophobicContact CB-CB 4.47Å; V185-M226 HydrophobicContact CG1-CB 3.77Å; V185-M226 HydrophobicContact CG2-CB 4.02Å; I188-M226 HydrophobicContact CG2-CE 3.98Å; I188-M226 HydrophobicContact CG2-SD 4.33Å; C189-M226 VanDerWaalsContact SG-CE 3.53Å; L222-M226 HydrophobicContact CD1-CE 4.33Å; L222-M226 HydrophobicContact CD1-CG 4.45Å; L222-M226 HydrophobicContact CD2-CE 3.88Å; L222-M226 HydrophobicContact CG-CE 3.57Å; L222-M226 HydrophobicContact CG-SD 4.4Å; L222-M226 WeakPolarHBondContact O-CG 3.2Å; L222-M226 PolarHBondContact O-N 3.09Å; A223-M226 PolarHBondContact O-N 2.96Å; V224-M226 PolarHBondContact O-N 3.47Å; M226-L228 VanDerWaalsContact C-N 3.32Å; M226-L228 PolarHBondContact O-N 2.97Å; M226-S229 WeakPolarHBondContact O-CB 3.45Å; M226-S229 PolarHBondContact O-N 3.43Å; M226-S229 PolarHBondContact O-OG 3.21Å; M226-A230 PolarHBondContact O-N 2.94Å; M226-A230 VanDerWaalsContact O-N 3.09Å |
| 227 | Y | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -30.9 | 178.9 | -96.5 | -84.6 | 0 | 0 | 0 | 113.3 | V185 F186 C189 A223 V224 S229 A230 T231 T271 N274 Y278 | V185-Y227 HydrophobicContact CG1-CD2 4.17Å; V185-Y227 HydrophobicContact CG1-CE2 4.28Å; V185-Y227 HydrophobicContact CG1-CG 4.44Å; F186-Y227 AromaticContact CD1-CE1 3.69Å; F186-Y227 HydrophobicContact CD1-CE1 3.69Å; F186-Y227 AromaticContact CD1-CZ 3.75Å; F186-Y227 WeakPolarHBondContact CD1-OH 3.1Å; F186-Y227 HydrophobicContact CE1-CD1 4.4Å; F186-Y227 AromaticContact CE1-CE1 3.72Å; F186-Y227 HydrophobicContact CE1-CE1 3.72Å; C189-Y227 HydrophobicContact CB-CD2 4.29Å; C189-Y227 HydrophobicContact CB-CE2 3.52Å; C189-Y227 VanDerWaalsContact SG-CE2 3.57Å; A223-Y227 WeakPolarHBondContact O-CB 3.49Å; A223-Y227 PolarHBondContact O-N 2.91Å; V224-Y227 PolarHBondContact O-N 3.47Å; Y227-S229 VanDerWaalsContact C-N 3.32Å; Y227-A230 PolarHBondContact O-N 3.37Å; Y227-T231 WeakPolarHBondContact O-CB 3.4Å; Y227-T231 PolarHBondContact O-N 3.49Å; Y227-T231 PolarHBondContact O-OG1 3.02Å; Y227-T271 HydrophobicContact CD1-CG2 4.02Å; Y227-T271 HydrophobicContact CE1-CG2 4.27Å; Y227-N274 HydrophobicContact CD1-CB 4.03Å; Y227-N274 HydrophobicContact CE1-CB 3.63Å; Y227-N274 PolarHBondContact OH-ND2 3.22Å; Y227-Y278 AromaticContact CD2-CD2 3.49Å; Y227-Y278 HydrophobicContact CD2-CD2 3.49Å; Y227-Y278 VanDerWaalsContact CD2-CD2 3.49Å; Y227-Y278 AromaticContact CD2-CE2 3.44Å; Y227-Y278 HydrophobicContact CD2-CE2 3.44Å; Y227-Y278 VanDerWaalsContact CD2-CE2 3.44Å; Y227-Y278 AromaticContact CE2-CD2 3.78Å; Y227-Y278 HydrophobicContact CE2-CD2 3.78Å; Y227-Y278 AromaticContact CE2-CE2 3.2Å; Y227-Y278 HydrophobicContact CE2-CE2 3.2Å; Y227-Y278 HydrophobicContact CG-CD2 4.04Å; Y227-Y278 HydrophobicContact CG-CE2 4.32Å; Y227-Y278 AromaticContact CZ-CE2 3.97Å |
| 228 | L | 96.1 | Very high | 92.6 | Very high | 89 Ų | 89 | 38.7 Ų | 38.7 | 47% | 0.466 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 172.7 | -177.6 | 64.1 | 0 | 0 | 0 | 110.4 | V224 A225 M226 T231 I232 L275 | V224-L228 WeakPolarHBondContact O-CB 3.37Å; V224-L228 PolarHBondContact O-N 3.43Å; A225-L228 PolarHBondContact O-N 3.15Å; M226-L228 VanDerWaalsContact C-N 3.32Å; M226-L228 PolarHBondContact O-N 2.97Å; L228-T231 PolarHBondContact O-N 2.93Å; L228-I232 HydrophobicContact CD1-CD1 4.37Å; L228-I232 HydrophobicContact CG-CD1 4.37Å; L228-I232 WeakPolarHBondContact O-CG1 3.25Å; L228-I232 PolarHBondContact O-N 2.87Å; L228-L275 HydrophobicContact CB-CD1 4.27Å; L228-L275 HydrophobicContact CD1-CD2 4.01Å |
| 229 | S | 95.1 | Very high | 92.6 | Very high | 34 Ų | 34 | 38 Ų | 38 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.3 | 78.9 | 0 | 0 | 0 | 0 | 112 | W181 A225 M226 Y227 T231 I232 I233 | W181-S229 PolarHBondContact NE1-OG 3.44Å; A225-S229 PolarHBondContact O-N 3.33Å; M226-S229 WeakPolarHBondContact O-CB 3.45Å; M226-S229 PolarHBondContact O-N 3.43Å; M226-S229 PolarHBondContact O-OG 3.21Å; Y227-S229 VanDerWaalsContact C-N 3.32Å; S229-T231 PolarHBondContact O-N 3.5Å; S229-I232 PolarHBondContact O-N 3.16Å; S229-I233 WeakPolarHBondContact O-CB 3.38Å; S229-I233 WeakPolarHBondContact O-CD1 3.37Å; S229-I233 VanDerWaalsContact O-CG1 3.23Å; S229-I233 WeakPolarHBondContact O-CG1 3.22Å; S229-I233 PolarHBondContact O-N 2.94Å |
| 230 | A | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -37.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C182 V185 F186 M226 Y227 I232 I233 W234 T271 | C182-A230 HydrophobicContact CB-CB 4.37Å; V185-A230 HydrophobicContact CB-CB 4.4Å; V185-A230 HydrophobicContact CG1-CB 4.08Å; F186-A230 HydrophobicContact CE1-CB 3.92Å; F186-A230 HydrophobicContact CZ-CB 4.37Å; M226-A230 PolarHBondContact O-N 2.94Å; M226-A230 VanDerWaalsContact O-N 3.09Å; Y227-A230 PolarHBondContact O-N 3.37Å; A230-I232 PolarHBondContact O-N 3.4Å; A230-I233 PolarHBondContact O-N 3.32Å; A230-W234 VanDerWaalsContact O-CB 3.27Å; A230-W234 WeakPolarHBondContact O-CB 3.27Å; A230-W234 PolarHBondContact O-N 3.47Å; A230-T271 HydrophobicContact CB-CG2 4.05Å |
| 231 | T | 94.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -29.7 | 178.2 | -56 | 0 | 0 | 0 | 0 | 112.1 | Y227 L228 S229 P235 A272 L275 | Y227-T231 WeakPolarHBondContact O-CB 3.4Å; Y227-T231 PolarHBondContact O-N 3.49Å; Y227-T231 PolarHBondContact O-OG1 3.02Å; L228-T231 PolarHBondContact O-N 2.93Å; S229-T231 PolarHBondContact O-N 3.5Å; T231-P235 WeakPolarHBondContact O-CD 3.29Å; T231-P235 WeakPolarHBondContact O-CG 3.42Å; T231-A272 HydrophobicContact CG2-CB 4.08Å; T231-L275 HydrophobicContact CG2-CD2 4.3Å |
| 232 | I | 94 | Very high | 91.2 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 48% | 0.482 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -86.4 | -46.6 | 177.5 | -64.1 | 168.1 | 0 | 0 | 0 | 110.7 | L228 S229 A230 P235 I236 | L228-I232 HydrophobicContact CD1-CD1 4.37Å; L228-I232 HydrophobicContact CG-CD1 4.37Å; L228-I232 WeakPolarHBondContact O-CG1 3.25Å; L228-I232 PolarHBondContact O-N 2.87Å; S229-I232 PolarHBondContact O-N 3.16Å; A230-I232 PolarHBondContact O-N 3.4Å; I232-P235 WeakPolarHBondContact O-CD 3.46Å; I232-I236 HydrophobicContact CG2-CD1 3.69Å; I232-I236 VanDerWaalsContact O-CD1 3.31Å; I232-I236 WeakPolarHBondContact O-CD1 3.31Å; I232-I236 VanDerWaalsContact O-CG1 3.24Å; I232-I236 WeakPolarHBondContact O-CG1 3.15Å |
| 233 | I | 92.4 | Very high | 90.3 | Very high | 41 Ų | 41 | 52 Ų | 52 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.5 | -45 | -174.4 | -69 | 167.1 | 0 | 0 | 0 | 111.2 | A178 S229 A230 I236 F237 | A178-I233 HydrophobicContact CB-CG2 3.7Å; A178-I233 WeakPolarHBondContact O-CG2 3.06Å; S229-I233 WeakPolarHBondContact O-CB 3.38Å; S229-I233 WeakPolarHBondContact O-CD1 3.37Å; S229-I233 VanDerWaalsContact O-CG1 3.23Å; S229-I233 WeakPolarHBondContact O-CG1 3.22Å; S229-I233 PolarHBondContact O-N 2.94Å; A230-I233 PolarHBondContact O-N 3.32Å; I233-I236 PolarHBondContact O-N 3.34Å; I233-F237 HydrophobicContact CG2-CD2 3.89Å; I233-F237 HydrophobicContact CG2-CE2 4.17Å; I233-F237 WeakPolarHBondContact O-CD2 3.47Å; I233-F237 PolarHBondContact O-N 3.15Å; I233-F237 VanDerWaalsContact O-N 3.17Å |
| 234 | W | 91.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.7 | -51.7 | -173.8 | -177.9 | -83.7 | 0 | 0 | 0 | 113.3 | I167 L179 C182 A230 I236 F237 K238 Q264 V267 | I167-W234 HydrophobicContact CD1-CH2 3.66Å; I167-W234 HydrophobicContact CD1-CZ3 3.61Å; I167-W234 HydrophobicContact CG1-CH2 3.61Å; I167-W234 HydrophobicContact CG1-CZ3 4.11Å; L179-W234 HydrophobicContact CD2-CD2 4.15Å; L179-W234 HydrophobicContact CD2-CE3 3.57Å; L179-W234 HydrophobicContact CD2-CZ3 3.82Å; C182-W234 HydrophobicContact CB-CE3 3.99Å; A230-W234 VanDerWaalsContact O-CB 3.27Å; A230-W234 WeakPolarHBondContact O-CB 3.27Å; A230-W234 PolarHBondContact O-N 3.47Å; W234-I236 VanDerWaalsContact C-N 3.34Å; W234-I236 PolarHBondContact O-N 2.93Å; W234-F237 PolarHBondContact O-N 3.11Å; W234-K238 HydrophobicContact CD2-CG 4.47Å; W234-K238 HydrophobicContact CZ2-CG 4.26Å; W234-K238 WeakPolarHBondContact O-CB 3.29Å; W234-K238 PolarHBondContact O-N 2.83Å; W234-K238 VanDerWaalsContact O-N 3.11Å; W234-Q264 PolarHBondContact NE1-O 3.49Å; W234-V267 HydrophobicContact CD2-CG1 3.89Å; W234-V267 VanDerWaalsContact CE2-CG1 3.4Å; W234-V267 HydrophobicContact CE3-CG1 4.33Å; W234-V267 HydrophobicContact CH2-CG1 3.99Å; W234-V267 HydrophobicContact CZ2-CB 3.76Å; W234-V267 HydrophobicContact CZ2-CG1 3.46Å; W234-V267 VanDerWaalsContact CZ2-CG1 3.46Å; W234-V267 HydrophobicContact CZ2-CG2 4.2Å; W234-V267 HydrophobicContact CZ3-CG1 4.39Å |
| 235 | P | 90.1 | Very high | 88.2 | Confident | 43 Ų | 43 | 54.8 Ų | 54.8 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 178.6 | -23.9 | 36.5 | 0 | 0 | 0 | 113.8 | T231 I232 K238 F239 A268 | T231-P235 WeakPolarHBondContact O-CD 3.29Å; T231-P235 WeakPolarHBondContact O-CG 3.42Å; I232-P235 WeakPolarHBondContact O-CD 3.46Å; P235-K238 PolarHBondContact O-N 3.32Å; P235-F239 HydrophobicContact CB-CD2 3.85Å; P235-F239 HydrophobicContact CB-CE2 4.25Å; P235-F239 WeakPolarHBondContact O-CB 3.33Å; P235-F239 WeakPolarHBondContact O-CD2 3.41Å; P235-F239 PolarHBondContact O-N 3.15Å; P235-A268 HydrophobicContact CG-CB 4.4Å |
| 236 | I | 89.8 | Confident | 87.4 | Confident | 66 Ų | 66 | 55.2 Ų | 55.2 | 34% | 0.338 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.4 | -52.5 | 179.1 | -69.3 | 170.8 | 0 | 0 | 0 | 109.7 | I232 I233 W234 K238 D240 | I232-I236 HydrophobicContact CG2-CD1 3.69Å; I232-I236 VanDerWaalsContact O-CD1 3.31Å; I232-I236 WeakPolarHBondContact O-CD1 3.31Å; I232-I236 VanDerWaalsContact O-CG1 3.24Å; I232-I236 WeakPolarHBondContact O-CG1 3.15Å; I233-I236 PolarHBondContact O-N 3.34Å; W234-I236 VanDerWaalsContact C-N 3.34Å; W234-I236 PolarHBondContact O-N 2.93Å; I236-K238 PolarHBondContact O-N 2.86Å; I236-D240 WeakPolarHBondContact O-CB 3.39Å; I236-D240 PolarHBondContact O-N 3.09Å |
| 237 | F | 87.2 | Confident | 86.8 | Confident | 51 Ų | 51 | 57.8 Ų | 57.8 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -76.5 | -20 | -175.8 | -78.4 | -90.9 | 0 | 0 | 0 | 114.1 | H176 A178 L179 I233 W234 H243 | H176-F237 HydrophobicContact CB-CD1 4.12Å; H176-F237 HydrophobicContact CB-CE1 4.46Å; H176-F237 AromaticContact CG-CD1 3.87Å; A178-F237 HydrophobicContact CB-CD1 4.41Å; A178-F237 HydrophobicContact CB-CD2 3.8Å; A178-F237 HydrophobicContact CB-CE1 4.1Å; A178-F237 HydrophobicContact CB-CE2 3.45Å; A178-F237 VanDerWaalsContact CB-CE2 3.45Å; A178-F237 HydrophobicContact CB-CG 4.27Å; A178-F237 HydrophobicContact CB-CZ 3.61Å; L179-F237 HydrophobicContact CD2-CB 4Å; L179-F237 HydrophobicContact CG-CB 4.22Å; I233-F237 HydrophobicContact CG2-CD2 3.89Å; I233-F237 HydrophobicContact CG2-CE2 4.17Å; I233-F237 WeakPolarHBondContact O-CD2 3.47Å; I233-F237 PolarHBondContact O-N 3.15Å; I233-F237 VanDerWaalsContact O-N 3.17Å; W234-F237 PolarHBondContact O-N 3.11Å; F237-H243 HydrophobicContact CD1-CB 4.24Å |
| 238 | K | 86.4 | Confident | 86.2 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 10% | 0.096 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -97.7 | -30.5 | 179.8 | -70.5 | -54.6 | -166.8 | -174.3 | 0 | 115 | S172 L179 W234 P235 I236 G245 S246 | S172-K238 WeakPolarHBondContact O-CE 3.3Å; S172-K238 PolarHBondContact O-NZ 3.43Å; L179-K238 HydrophobicContact CD1-CD 4.2Å; L179-K238 HydrophobicContact CD2-CG 4.27Å; W234-K238 HydrophobicContact CD2-CG 4.47Å; W234-K238 HydrophobicContact CZ2-CG 4.26Å; W234-K238 WeakPolarHBondContact O-CB 3.29Å; W234-K238 PolarHBondContact O-N 2.83Å; W234-K238 VanDerWaalsContact O-N 3.11Å; P235-K238 PolarHBondContact O-N 3.32Å; I236-K238 PolarHBondContact O-N 2.86Å; K238-G245 WeakPolarHBondContact O-CA 3.49Å; K238-S246 PolarHBondContact O-N 3.49Å |
| 239 | F | 87.7 | Confident | 85.5 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 20% | 0.197 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -115.4 | -20.2 | -173.7 | -52.5 | -57.1 | 0 | 0 | 0 | 114.3 | P235 W261 Q264 M265 A268 | P235-F239 HydrophobicContact CB-CD2 3.85Å; P235-F239 HydrophobicContact CB-CE2 4.25Å; P235-F239 WeakPolarHBondContact O-CB 3.33Å; P235-F239 WeakPolarHBondContact O-CD2 3.41Å; P235-F239 PolarHBondContact O-N 3.15Å; F239-W261 AromaticContact CD1-CE2 3.95Å; F239-W261 HydrophobicContact CD1-CZ2 4Å; F239-W261 AromaticContact CD1-NE1 3.73Å; F239-W261 HydrophobicContact CE1-CD2 4.5Å; F239-W261 AromaticContact CE1-CE2 3.86Å; F239-W261 HydrophobicContact CE1-CZ2 4.02Å; F239-W261 AromaticContact CE1-NE1 3.88Å; F239-Q264 HydrophobicContact CE1-CB 4.38Å; F239-Q264 HydrophobicContact CZ-CB 4.36Å; F239-M265 HydrophobicContact CE1-CE 4.08Å; F239-M265 HydrophobicContact CE2-CE 4.15Å; F239-M265 HydrophobicContact CE2-SD 4.35Å; F239-M265 HydrophobicContact CZ-CB 4.22Å; F239-M265 HydrophobicContact CZ-CE 3.88Å; F239-M265 HydrophobicContact CZ-SD 4.15Å; F239-A268 HydrophobicContact CE2-CB 3.9Å; F239-A268 HydrophobicContact CZ-CB 4.36Å |
| 240 | D | 85.3 | Confident | 84.5 | Confident | 58 Ų | 58 | 72.6 Ų | 72.6 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | trans | -80.4 | 124.1 | 178 | -173.6 | 13 | 0 | 0 | 0 | 111.5 | I236 K242 H243 G245 | I236-D240 WeakPolarHBondContact O-CB 3.39Å; I236-D240 PolarHBondContact O-N 3.09Å; D240-K242 PolarHBondContact O-N 2.67Å; D240-K242 PolarHBondContact OD1-N 3.36Å; D240-K242 WeakPolarHBondContact OD2-CB 3.22Å; D240-H243 PolarHBondContact O-N 2.85Å; D240-H243 IonicContact OD2-CE1 3.43Å; D240-H243 PolarHBondContact OD2-CE1 3.42Å; D240-H243 IonicContact OD2-ND1 2.74Å; D240-H243 PolarHBondContact OD2-ND1 3.35Å; D240-G245 VanDerWaalsContact O-CA 3.3Å; D240-G245 WeakPolarHBondContact O-CA 3.44Å; D240-G245 PolarHBondContact O-N 3.42Å | ||
| 241 | K | 79.7 | Confident | 83.4 | Confident | 157 Ų | 157 | 74.4 Ų | 74.4 | 68% | 0.683 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -59.9 | -28.7 | 178.2 | -67.5 | -176 | 179.3 | 179.6 | 0 | 112.4 | H243 G244 S247 | K241-H243 PolarHBondContact O-N 2.9Å; K241-G244 PolarHBondContact O-N 3.42Å; K241-S247 WeakPolarHBondContact CE-OG 3.06Å |
| 242 | K | 80.6 | Confident | 82.4 | Confident | 184 Ų | 184 | 73.6 Ų | 73.6 | 80% | 0.8 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -66.5 | -23.8 | 178.3 | -62.6 | -179.9 | 178.3 | 179.8 | 0 | 113 | D240 | D240-K242 PolarHBondContact O-N 2.67Å; D240-K242 PolarHBondContact OD1-N 3.36Å; D240-K242 WeakPolarHBondContact OD2-CB 3.22Å |
| 243 | H | 76.6 | Confident | 81.2 | Confident | 76 Ų | 76 | 70.7 Ų | 70.7 | 35% | 0.352 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -110.8 | 18.7 | -176.1 | -60.8 | 88.8 | 0 | 0 | 0 | 112.2 | F237 D240 K241 | F237-H243 HydrophobicContact CD1-CB 4.24Å; D240-H243 PolarHBondContact O-N 2.85Å; D240-H243 IonicContact OD2-CE1 3.43Å; D240-H243 PolarHBondContact OD2-CE1 3.42Å; D240-H243 IonicContact OD2-ND1 2.74Å; D240-H243 PolarHBondContact OD2-ND1 3.35Å; K241-H243 PolarHBondContact O-N 2.9Å |
| 244 | G | 70.6 | Confident | 79.9 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 10.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K241 | K241-G244 PolarHBondContact O-N 3.42Š|
| 245 | G | 76 | Confident | 78.7 | Confident | 12 Ų | 12 | 86.9 Ų | 86.9 | 12% | 0.124 | 44% | 0.441 | C | S | . | . | trans | -71.1 | 153.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K238 D240 | K238-G245 WeakPolarHBondContact O-CA 3.49Å; D240-G245 VanDerWaalsContact O-CA 3.3Å; D240-G245 WeakPolarHBondContact O-CA 3.44Å; D240-G245 PolarHBondContact O-N 3.42Å | ||
| 246 | S | 77.4 | Confident | 77.5 | Confident | 65 Ų | 65 | 88 Ų | 88 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | trans | -117 | 149.4 | -177.7 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | K238 W261 | K238-S246 PolarHBondContact O-N 3.49Å; S246-W261 PolarHBondContact O-NE1 2.95Å | ||
| 247 | S | 81.9 | Confident | 76.7 | Confident | 75 Ų | 75 | 85.3 Ų | 85.3 | 52% | 0.524 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 153.5 | 171.8 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | K241 P249 | K241-S247 WeakPolarHBondContact CE-OG 3.06Å; S247-P249 WeakPolarHBondContact O-CD 3.43Å |
| 248 | R | 82.3 | Confident | 76.2 | Confident | 129 Ų | 129 | 85 Ų | 85 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 119.6 | -178.4 | -169.1 | 176.3 | -168.1 | -135.1 | -1.7 | 111.2 | C252 W261 D262 | R248-C252 HydrophobicContact CG-CB 4.24Å; R248-W261 HydrophobicContact CB-CD2 3.69Å; R248-W261 HydrophobicContact CB-CE3 3.76Å; R248-W261 HydrophobicContact CB-CG 4.34Å; R248-W261 HydrophobicContact CB-CH2 3.86Å; R248-W261 HydrophobicContact CB-CZ2 3.83Å; R248-W261 HydrophobicContact CB-CZ3 3.85Å; R248-W261 VanDerWaalsContact CD-CZ3 3.5Å; R248-W261 HydrophobicContact CG-CD2 3.81Å; R248-W261 HydrophobicContact CG-CE3 3.48Å; R248-W261 VanDerWaalsContact CG-CE3 3.48Å; R248-W261 HydrophobicContact CG-CG 4.42Å; R248-W261 HydrophobicContact CG-CH2 4.28Å; R248-W261 HydrophobicContact CG-CZ3 3.75Å; R248-D262 IonicContact CZ-OD1 3.76Å; R248-D262 IonicContact CZ-OD2 3.36Å; R248-D262 IonicContact NE-OD1 3.12Å; R248-D262 PolarHBondContact NE-OD1 3.1Å; R248-D262 IonicContact NE-OD2 2.72Å; R248-D262 IonicContact NH2-OD1 3.97Å; R248-D262 PolarHBondContact NH2-OD1 3.45Å; R248-D262 VanDerWaalsContact NH2-OD1 3.15Å; R248-D262 IonicContact NH2-OD2 2.65Å; R248-D262 PolarHBondContact NH2-OD2 3.05Å |
| 249 | P | 82.1 | Confident | 76 | Confident | 72 Ų | 72 | 85.6 Ų | 85.6 | 47% | 0.468 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 140.9 | 178.1 | -20.8 | 31.8 | 0 | 0 | 0 | 111.6 | S247 G251 C252 | S247-P249 WeakPolarHBondContact O-CD 3.43Å; P249-G251 PolarHBondContact O-N 3.42Å; P249-G251 VanDerWaalsContact O-N 3.16Å; P249-C252 VanDerWaalsContact O-CB 3.25Å; P249-C252 WeakPolarHBondContact O-CB 3.25Å; P249-C252 PolarHBondContact O-N 3.5Å |
| 250 | Y | 74.5 | Confident | 75.8 | Confident | 233 Ų | 233 | 88 Ų | 88 | 91% | 0.914 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.1 | -178.2 | -174.1 | -95.2 | 0 | 0 | 0 | 113.8 | C252 | Y250-C252 VanDerWaalsContact C-N 3.3Å; Y250-C252 PolarHBondContact O-N 2.68Å |
| 251 | G | 71.6 | Confident | 75.8 | Confident | 39 Ų | 39 | 87.2 Ų | 87.2 | 40% | 0.402 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P249 G253 R254 | P249-G251 PolarHBondContact O-N 3.42Å; P249-G251 VanDerWaalsContact O-N 3.16Å; G251-G253 PolarHBondContact O-N 2.87Å; G251-R254 PolarHBondContact O-N 3.33Å |
| 252 | C | 74.1 | Confident | 76.1 | Confident | 15 Ų | 15 | 80.9 Ų | 80.9 | 10% | 0.101 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 118.2 | -176.9 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | R248 P249 Y250 C259 D262 | R248-C252 HydrophobicContact CG-CB 4.24Å; P249-C252 VanDerWaalsContact O-CB 3.25Å; P249-C252 WeakPolarHBondContact O-CB 3.25Å; P249-C252 PolarHBondContact O-N 3.5Å; Y250-C252 VanDerWaalsContact C-N 3.3Å; Y250-C252 PolarHBondContact O-N 2.68Å; C252-C259 HydrophobicContact CB-CB 3.92Å; C252-C259 WeakPolarHBondContact CB-SG 3.47Å; C252-C259 WeakPolarHBondContact SG-CB 3.42Å; C252-C259 CovalentContact SG-SG 2.01Å; C252-C259 PolarHBondContact SG-SG 2.88Å; C252-D262 PolarHBondContact SG-OD1 3.45Å; C252-D262 VanDerWaalsContact SG-OD1 3.32Å; C252-D262 PolarHBondContact SG-OD2 3.39Å |
| 253 | G | 67.1 | Low | 76.4 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 33% | 0.33 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.1 | -2.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G251 | G251-G253 PolarHBondContact O-N 2.87Š|
| 254 | R | 66.4 | Low | 76.9 | Confident | 198 Ų | 198 | 72.2 Ų | 72.2 | 75% | 0.747 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -83.5 | -22.4 | 177.8 | -145.5 | 175.1 | -169.2 | 177.3 | 2.5 | 113.6 | G251 | G251-R254 PolarHBondContact O-N 3.33Š|
| 255 | Y | 65.3 | Low | 77.9 | Confident | 185 Ų | 185 | 72 Ų | 72 | 73% | 0.725 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -110.4 | 164.1 | 179.2 | -58.1 | -75.5 | 0 | 0 | 0 | 111.3 | ||
| 256 | A | 65.8 | Low | 78.6 | Confident | 65 Ų | 65 | 72.5 Ų | 72.5 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -62.5 | 138.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 257 | G | 71.8 | Confident | 79.3 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 91.9 | -172.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L97 | L97-G257 PolarHBondContact O-N 3.48Š|
| 258 | L | 76.3 | Confident | 79.8 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | trans | -102.9 | 129.7 | -180 | -70.5 | 149.1 | 0 | 0 | 0 | 109.9 | Y98 F166 D262 R263 | Y98-L258 HydrophobicContact CE2-CD1 3.83Å; Y98-L258 HydrophobicContact CE2-CG 4.23Å; Y98-L258 PolarHBondContact OH-N 2.96Å; F166-L258 HydrophobicContact CE1-CD1 3.71Å; F166-L258 HydrophobicContact CZ-CD1 4.08Å; L258-D262 HydrophobicContact CB-CB 4.47Å; L258-D262 HydrophobicContact CD2-CB 3.8Å; L258-R263 HydrophobicContact CB-CG 3.92Å; L258-R263 PolarHBondContact O-NE 3.01Å | ||
| 259 | C | 83.9 | Confident | 80.4 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 24% | 0.243 | 33% | 0.334 | C | S | . | . | trans | -73.5 | 163 | 170.4 | 84.8 | 0 | 0 | 0 | 0 | 110.9 | C252 W261 D262 R263 | C252-C259 HydrophobicContact CB-CB 3.92Å; C252-C259 WeakPolarHBondContact CB-SG 3.47Å; C252-C259 WeakPolarHBondContact SG-CB 3.42Å; C252-C259 CovalentContact SG-SG 2.01Å; C252-C259 PolarHBondContact SG-SG 2.88Å; C259-W261 VanDerWaalsContact C-N 3.26Å; C259-W261 PolarHBondContact O-N 2.84Å; C259-D262 PolarHBondContact O-N 3.48Å; C259-D262 PolarHBondContact SG-N 3.47Å; C259-R263 PolarHBondContact O-N 2.67Å | ||
| 260 | D | 82 | Confident | 81 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.3 | -38.7 | -177 | -59.2 | -27.7 | 0 | 0 | 0 | 113.3 | R263 Q264 | D260-R263 PolarHBondContact O-N 3.15Å; D260-Q264 WeakPolarHBondContact O-CG 3.43Å; D260-Q264 PolarHBondContact O-N 3.35Å |
| 261 | W | 85.3 | Confident | 82 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 16% | 0.159 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 176.2 | -168.6 | 96.5 | 0 | 0 | 0 | 111.9 | F239 S246 R248 C259 R263 Q264 M265 | F239-W261 AromaticContact CD1-CE2 3.95Å; F239-W261 HydrophobicContact CD1-CZ2 4Å; F239-W261 AromaticContact CD1-NE1 3.73Å; F239-W261 HydrophobicContact CE1-CD2 4.5Å; F239-W261 AromaticContact CE1-CE2 3.86Å; F239-W261 HydrophobicContact CE1-CZ2 4.02Å; F239-W261 AromaticContact CE1-NE1 3.88Å; S246-W261 PolarHBondContact O-NE1 2.95Å; R248-W261 HydrophobicContact CB-CD2 3.69Å; R248-W261 HydrophobicContact CB-CE3 3.76Å; R248-W261 HydrophobicContact CB-CG 4.34Å; R248-W261 HydrophobicContact CB-CH2 3.86Å; R248-W261 HydrophobicContact CB-CZ2 3.83Å; R248-W261 HydrophobicContact CB-CZ3 3.85Å; R248-W261 VanDerWaalsContact CD-CZ3 3.5Å; R248-W261 HydrophobicContact CG-CD2 3.81Å; R248-W261 HydrophobicContact CG-CE3 3.48Å; R248-W261 VanDerWaalsContact CG-CE3 3.48Å; R248-W261 HydrophobicContact CG-CG 4.42Å; R248-W261 HydrophobicContact CG-CH2 4.28Å; R248-W261 HydrophobicContact CG-CZ3 3.75Å; C259-W261 VanDerWaalsContact C-N 3.26Å; C259-W261 PolarHBondContact O-N 2.84Å; W261-R263 VanDerWaalsContact C-N 3.28Å; W261-R263 PolarHBondContact O-N 2.9Å; W261-Q264 PolarHBondContact O-N 3.47Å; W261-M265 HydrophobicContact CE3-CB 4.26Å; W261-M265 HydrophobicContact CH2-CE 3.22Å; W261-M265 HydrophobicContact CZ2-CE 3.71Å; W261-M265 HydrophobicContact CZ3-CB 4Å; W261-M265 HydrophobicContact CZ3-CE 3.87Å; W261-M265 HydrophobicContact CZ3-CG 4.22Å; W261-M265 PolarHBondContact O-N 3.1Å |
| 262 | D | 86.4 | Confident | 83.2 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 13% | 0.128 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.4 | -32 | 177 | -76.6 | -2.5 | 0 | 0 | 0 | 111 | R248 C252 L258 C259 M265 A266 | R248-D262 IonicContact CZ-OD1 3.76Å; R248-D262 IonicContact CZ-OD2 3.36Å; R248-D262 IonicContact NE-OD1 3.12Å; R248-D262 PolarHBondContact NE-OD1 3.1Å; R248-D262 IonicContact NE-OD2 2.72Å; R248-D262 IonicContact NH2-OD1 3.97Å; R248-D262 PolarHBondContact NH2-OD1 3.45Å; R248-D262 VanDerWaalsContact NH2-OD1 3.15Å; R248-D262 IonicContact NH2-OD2 2.65Å; R248-D262 PolarHBondContact NH2-OD2 3.05Å; C252-D262 PolarHBondContact SG-OD1 3.45Å; C252-D262 VanDerWaalsContact SG-OD1 3.32Å; C252-D262 PolarHBondContact SG-OD2 3.39Å; L258-D262 HydrophobicContact CB-CB 4.47Å; L258-D262 HydrophobicContact CD2-CB 3.8Å; C259-D262 PolarHBondContact O-N 3.48Å; C259-D262 PolarHBondContact SG-N 3.47Å; D262-M265 PolarHBondContact O-N 3.29Å; D262-A266 WeakPolarHBondContact O-CB 3.25Å; D262-A266 PolarHBondContact O-N 3.43Å |
| 263 | R | 86.3 | Confident | 84.2 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 172 | -66.4 | -179.2 | 179.9 | -154.4 | -2.4 | 111.7 | Y98 F166 D169 L258 C259 D260 W261 M265 A266 V267 | Y98-R263 PolarHBondContact OH-NH2 3.03Å; F166-R263 HydrophobicContact CD1-CB 4.27Å; F166-R263 HydrophobicContact CD1-CG 4.09Å; F166-R263 HydrophobicContact CE1-CG 4.49Å; D169-R263 PolarHBondContact O-NH1 3.2Å; L258-R263 HydrophobicContact CB-CG 3.92Å; L258-R263 PolarHBondContact O-NE 3.01Å; C259-R263 PolarHBondContact O-N 2.67Å; D260-R263 PolarHBondContact O-N 3.15Å; W261-R263 VanDerWaalsContact C-N 3.28Å; W261-R263 PolarHBondContact O-N 2.9Å; R263-M265 VanDerWaalsContact C-N 3.3Å; R263-M265 PolarHBondContact O-N 3.31Å; R263-A266 WeakPolarHBondContact O-CB 3.47Å; R263-A266 PolarHBondContact O-N 2.99Å; R263-A266 VanDerWaalsContact O-N 3.15Å; R263-V267 PolarHBondContact O-N 3.2Å |
| 264 | Q | 88.5 | Confident | 85.6 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 176.4 | -69.8 | 175.7 | 10.2 | 0 | 0 | 112.3 | W234 F239 D260 W261 V267 A268 | W234-Q264 PolarHBondContact NE1-O 3.49Å; F239-Q264 HydrophobicContact CE1-CB 4.38Å; F239-Q264 HydrophobicContact CZ-CB 4.36Å; D260-Q264 WeakPolarHBondContact O-CG 3.43Å; D260-Q264 PolarHBondContact O-N 3.35Å; W261-Q264 PolarHBondContact O-N 3.47Å; Q264-V267 PolarHBondContact O-N 3.33Å; Q264-A268 PolarHBondContact O-N 3.16Å; Q264-A268 VanDerWaalsContact O-N 3.09Å |
| 265 | M | 90.1 | Very high | 87 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 32% | 0.315 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.6 | -42 | 172.1 | -175.3 | 58.5 | 75.5 | 0 | 0 | 111.4 | F239 W261 D262 R263 V267 A268 V269 | F239-M265 HydrophobicContact CE1-CE 4.08Å; F239-M265 HydrophobicContact CE2-CE 4.15Å; F239-M265 HydrophobicContact CE2-SD 4.35Å; F239-M265 HydrophobicContact CZ-CB 4.22Å; F239-M265 HydrophobicContact CZ-CE 3.88Å; F239-M265 HydrophobicContact CZ-SD 4.15Å; W261-M265 HydrophobicContact CE3-CB 4.26Å; W261-M265 HydrophobicContact CH2-CE 3.22Å; W261-M265 HydrophobicContact CZ2-CE 3.71Å; W261-M265 HydrophobicContact CZ3-CB 4Å; W261-M265 HydrophobicContact CZ3-CE 3.87Å; W261-M265 HydrophobicContact CZ3-CG 4.22Å; W261-M265 PolarHBondContact O-N 3.1Å; D262-M265 PolarHBondContact O-N 3.29Å; R263-M265 VanDerWaalsContact C-N 3.3Å; R263-M265 PolarHBondContact O-N 3.31Å; M265-V267 VanDerWaalsContact C-N 3.32Å; M265-V267 PolarHBondContact O-N 3.03Å; M265-A268 WeakPolarHBondContact O-CB 3.25Å; M265-A268 PolarHBondContact O-N 3.47Å; M265-A268 VanDerWaalsContact O-N 3.15Å; M265-V269 HydrophobicContact CG-CG2 4.43Å; M265-V269 WeakPolarHBondContact O-CG2 3.4Å; M265-V269 PolarHBondContact O-N 2.94Å; M265-V269 HydrophobicContact SD-CG2 4.29Å |
| 266 | A | 90.6 | Very high | 88.5 | Confident | 23 Ų | 23 | 39.3 Ų | 39.3 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.5 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | F166 D262 R263 A268 V269 L270 | F166-A266 HydrophobicContact CD2-CB 4.34Å; F166-A266 HydrophobicContact CE2-CB 4.35Å; D262-A266 WeakPolarHBondContact O-CB 3.25Å; D262-A266 PolarHBondContact O-N 3.43Å; R263-A266 WeakPolarHBondContact O-CB 3.47Å; R263-A266 PolarHBondContact O-N 2.99Å; R263-A266 VanDerWaalsContact O-N 3.15Å; A266-A268 VanDerWaalsContact C-N 3.34Å; A266-A268 PolarHBondContact O-N 2.01Å; A266-V269 PolarHBondContact O-N 3.35Å; A266-L270 VanDerWaalsContact O-CB 3.27Å; A266-L270 WeakPolarHBondContact O-CB 3.27Å; A266-L270 WeakPolarHBondContact O-CG 3.21Å; A266-L270 PolarHBondContact O-N 3.26Å |
| 267 | V | 92.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 174.4 | 176 | 0 | 0 | 0 | 0 | 111.5 | I163 F166 F186 W234 R263 Q264 M265 L270 T271 | I163-V267 HydrophobicContact CG2-CG1 4.08Å; F166-V267 HydrophobicContact CB-CG2 3.6Å; F186-V267 HydrophobicContact CE2-CG1 4.4Å; W234-V267 HydrophobicContact CD2-CG1 3.89Å; W234-V267 VanDerWaalsContact CE2-CG1 3.4Å; W234-V267 HydrophobicContact CE3-CG1 4.33Å; W234-V267 HydrophobicContact CH2-CG1 3.99Å; W234-V267 HydrophobicContact CZ2-CB 3.76Å; W234-V267 HydrophobicContact CZ2-CG1 3.46Å; W234-V267 VanDerWaalsContact CZ2-CG1 3.46Å; W234-V267 HydrophobicContact CZ2-CG2 4.2Å; W234-V267 HydrophobicContact CZ3-CG1 4.39Å; R263-V267 PolarHBondContact O-N 3.2Å; Q264-V267 PolarHBondContact O-N 3.33Å; M265-V267 VanDerWaalsContact C-N 3.32Å; M265-V267 PolarHBondContact O-N 3.03Å; V267-L270 PolarHBondContact O-N 3.19Å; V267-T271 VanDerWaalsContact O-CB 3.29Å; V267-T271 WeakPolarHBondContact O-CB 3.09Å; V267-T271 PolarHBondContact O-N 3.3Å; V267-T271 PolarHBondContact O-OG1 2.92Å |
| 268 | A | 93.3 | Very high | 91 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P235 F239 Q264 M265 A266 T271 A272 | P235-A268 HydrophobicContact CG-CB 4.4Å; F239-A268 HydrophobicContact CE2-CB 3.9Å; F239-A268 HydrophobicContact CZ-CB 4.36Å; Q264-A268 PolarHBondContact O-N 3.16Å; Q264-A268 VanDerWaalsContact O-N 3.09Å; M265-A268 WeakPolarHBondContact O-CB 3.25Å; M265-A268 PolarHBondContact O-N 3.47Å; M265-A268 VanDerWaalsContact O-N 3.15Å; A266-A268 VanDerWaalsContact C-N 3.34Å; A266-A268 PolarHBondContact O-N 2.01Å; A268-T271 PolarHBondContact O-N 3.25Å; A268-A272 PolarHBondContact O-N 3Å |
| 269 | V | 94.9 | Very high | 91.9 | Very high | 80 Ų | 80 | 38.4 Ų | 38.4 | 49% | 0.485 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | M265 A266 T271 A272 V273 | M265-V269 HydrophobicContact CG-CG2 4.43Å; M265-V269 WeakPolarHBondContact O-CG2 3.4Å; M265-V269 PolarHBondContact O-N 2.94Å; M265-V269 HydrophobicContact SD-CG2 4.29Å; A266-V269 PolarHBondContact O-N 3.35Å; V269-T271 VanDerWaalsContact C-N 3.3Å; V269-T271 PolarHBondContact O-N 3.27Å; V269-A272 PolarHBondContact O-N 3.45Å; V269-V273 HydrophobicContact CG1-CG2 4.37Å; V269-V273 WeakPolarHBondContact O-CG2 3.23Å; V269-V273 PolarHBondContact O-N 2.94Å |
| 270 | L | 94.8 | Very high | 92.3 | Very high | 36 Ų | 36 | 38 Ų | 38 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -35.5 | 178.3 | -70.2 | 169.5 | 0 | 0 | 0 | 111.9 | V159 V162 I163 F166 A266 V267 V273 N274 | V159-L270 HydrophobicContact CG1-CB 4.12Å; V159-L270 HydrophobicContact CG1-CD2 4.2Å; V159-L270 WeakPolarHBondContact CG1-O 3.36Å; V162-L270 HydrophobicContact CB-CD1 4.3Å; V162-L270 HydrophobicContact CG1-CD1 3.6Å; I163-L270 HydrophobicContact CD1-CB 3.96Å; I163-L270 HydrophobicContact CG1-CB 3.56Å; I163-L270 HydrophobicContact CG1-CD1 4.16Å; F166-L270 HydrophobicContact CD2-CD1 3.83Å; F166-L270 HydrophobicContact CE2-CD1 4.04Å; A266-L270 VanDerWaalsContact O-CB 3.27Å; A266-L270 WeakPolarHBondContact O-CB 3.27Å; A266-L270 WeakPolarHBondContact O-CG 3.21Å; A266-L270 PolarHBondContact O-N 3.26Å; V267-L270 PolarHBondContact O-N 3.19Å; L270-V273 PolarHBondContact O-N 3.35Å; L270-N274 WeakPolarHBondContact O-CB 3.48Å; L270-N274 PolarHBondContact O-N 3.09Å |
| 271 | T | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 173.7 | -59 | 0 | 0 | 0 | 0 | 110.9 | F186 Y227 A230 V267 A268 V269 N274 L275 | F186-T271 HydrophobicContact CE1-CG2 3.78Å; F186-T271 HydrophobicContact CZ-CG2 4Å; F186-T271 VanDerWaalsContact CZ-OG1 3.29Å; F186-T271 WeakPolarHBondContact CZ-OG1 3Å; Y227-T271 HydrophobicContact CD1-CG2 4.02Å; Y227-T271 HydrophobicContact CE1-CG2 4.27Å; A230-T271 HydrophobicContact CB-CG2 4.05Å; V267-T271 VanDerWaalsContact O-CB 3.29Å; V267-T271 WeakPolarHBondContact O-CB 3.09Å; V267-T271 PolarHBondContact O-N 3.3Å; V267-T271 PolarHBondContact O-OG1 2.92Å; A268-T271 PolarHBondContact O-N 3.25Å; V269-T271 VanDerWaalsContact C-N 3.3Å; V269-T271 PolarHBondContact O-N 3.27Å; T271-N274 PolarHBondContact O-N 2.93Å; T271-L275 PolarHBondContact O-N 2.64Å |
| 272 | A | 96 | Very high | 93 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 31% | 0.314 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.4 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T231 A268 V269 N274 L275 V276 | T231-A272 HydrophobicContact CG2-CB 4.08Å; A268-A272 PolarHBondContact O-N 3Å; V269-A272 PolarHBondContact O-N 3.45Å; A272-N274 VanDerWaalsContact C-N 3.29Å; A272-N274 PolarHBondContact O-N 3.17Å; A272-L275 WeakPolarHBondContact O-CB 3.45Å; A272-L275 PolarHBondContact O-N 2.99Å; A272-V276 WeakPolarHBondContact O-CG2 3.49Å; A272-V276 PolarHBondContact O-N 3.49Å |
| 273 | V | 96.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 173.3 | 169.6 | 0 | 0 | 0 | 0 | 110.1 | V159 V269 L270 L275 V276 L277 | V159-V273 HydrophobicContact CG2-CG1 4.49Å; V269-V273 HydrophobicContact CG1-CG2 4.37Å; V269-V273 WeakPolarHBondContact O-CG2 3.23Å; V269-V273 PolarHBondContact O-N 2.94Å; L270-V273 PolarHBondContact O-N 3.35Å; V273-L275 VanDerWaalsContact C-N 3.35Å; V273-L275 PolarHBondContact O-N 3.44Å; V273-V276 WeakPolarHBondContact O-CB 3.49Å; V273-V276 PolarHBondContact O-N 3.41Å; V273-V276 VanDerWaalsContact O-N 3.15Å; V273-L277 HydrophobicContact CG1-CD1 4.43Å; V273-L277 WeakPolarHBondContact O-CG 3.46Å; V273-L277 PolarHBondContact O-N 3.39Å |
| 274 | N | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.6 | -37.5 | 179.5 | -143.5 | 18.9 | 0 | 0 | 0 | 112.2 | E156 V159 Y227 L270 T271 A272 V276 L277 Y278 | E156-N274 VanDerWaalsContact CA-OD1 3.22Å; E156-N274 WeakPolarHBondContact CA-OD1 3.31Å; E156-N274 PolarHBondContact O-ND2 3.49Å; E156-N274 PolarHBondContact O-OD1 3.46Å; V159-N274 HydrophobicContact CG1-CB 3.8Å; Y227-N274 HydrophobicContact CD1-CB 4.03Å; Y227-N274 HydrophobicContact CE1-CB 3.63Å; Y227-N274 PolarHBondContact OH-ND2 3.22Å; L270-N274 WeakPolarHBondContact O-CB 3.48Å; L270-N274 PolarHBondContact O-N 3.09Å; T271-N274 PolarHBondContact O-N 2.93Å; A272-N274 VanDerWaalsContact C-N 3.29Å; A272-N274 PolarHBondContact O-N 3.17Å; N274-V276 VanDerWaalsContact C-N 3.3Å; N274-V276 PolarHBondContact O-N 2.92Å; N274-L277 WeakPolarHBondContact O-CB 3.12Å; N274-L277 PolarHBondContact O-N 2.99Å; N274-Y278 WeakPolarHBondContact O-CD2 3.42Å; N274-Y278 PolarHBondContact O-N 3.26Å |
| 275 | L | 96.4 | Very high | 92.8 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -43.7 | 171 | 175.6 | 61.3 | 0 | 0 | 0 | 111.6 | V224 L228 T231 T271 A272 V273 L277 Y278 L279 | V224-L275 HydrophobicContact CG1-CD1 4.27Å; L228-L275 HydrophobicContact CB-CD1 4.27Å; L228-L275 HydrophobicContact CD1-CD2 4.01Å; T231-L275 HydrophobicContact CG2-CD2 4.3Å; T271-L275 PolarHBondContact O-N 2.64Å; A272-L275 WeakPolarHBondContact O-CB 3.45Å; A272-L275 PolarHBondContact O-N 2.99Å; V273-L275 VanDerWaalsContact C-N 3.35Å; V273-L275 PolarHBondContact O-N 3.44Å; L275-L277 VanDerWaalsContact C-N 3.33Å; L275-L277 PolarHBondContact O-N 3.45Å; L275-Y278 PolarHBondContact O-N 3.38Å; L275-L279 HydrophobicContact CD1-CD1 4.33Å; L275-L279 HydrophobicContact CD1-CG 4.31Å; L275-L279 HydrophobicContact CG-CD1 4.1Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 VanDerWaalsContact O-CG 3.31Å; L275-L279 WeakPolarHBondContact O-CG 3.42Å; L275-L279 PolarHBondContact O-N 2.84Å |
| 276 | V | 96.9 | Very high | 92.4 | Very high | 94 Ų | 94 | 38.3 Ų | 38.3 | 57% | 0.57 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.7 | -39.2 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | A272 V273 N274 L279 A280 | A272-V276 WeakPolarHBondContact O-CG2 3.49Å; A272-V276 PolarHBondContact O-N 3.49Å; V273-V276 WeakPolarHBondContact O-CB 3.49Å; V273-V276 PolarHBondContact O-N 3.41Å; V273-V276 VanDerWaalsContact O-N 3.15Å; N274-V276 VanDerWaalsContact C-N 3.3Å; N274-V276 PolarHBondContact O-N 2.92Å; V276-L279 PolarHBondContact O-N 2.71Å; V276-A280 WeakPolarHBondContact O-CB 3.33Å; V276-A280 PolarHBondContact O-N 3.25Å |
| 277 | L | 95.3 | Very high | 91.7 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.9 | -48.1 | 174.9 | -67.3 | 174.2 | 0 | 0 | 0 | 111.4 | L152 C155 E156 V159 V273 N274 L275 L279 A280 D281 | L152-L277 HydrophobicContact CD2-CD2 3.9Å; C155-L277 HydrophobicContact CB-CD1 3.83Å; C155-L277 HydrophobicContact CB-CD2 4.22Å; E156-L277 HydrophobicContact CG-CB 3.82Å; V159-L277 HydrophobicContact CG2-CD1 3.98Å; V273-L277 HydrophobicContact CG1-CD1 4.43Å; V273-L277 WeakPolarHBondContact O-CG 3.46Å; V273-L277 PolarHBondContact O-N 3.39Å; N274-L277 WeakPolarHBondContact O-CB 3.12Å; N274-L277 PolarHBondContact O-N 2.99Å; L275-L277 VanDerWaalsContact C-N 3.33Å; L275-L277 PolarHBondContact O-N 3.45Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L277-L279 PolarHBondContact O-N 3.21Å; L277-A280 WeakPolarHBondContact O-CB 3.46Å; L277-A280 PolarHBondContact O-N 3.26Å; L277-D281 PolarHBondContact O-N 2.93Å |
| 278 | Y | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -35.8 | 176 | -80.1 | -65.3 | 0 | 0 | 0 | 112.8 | E156 C189 S193 Y219 A223 V224 Y227 N274 L275 D281 L282 | E156-Y278 HydrophobicContact CB-CE1 4.44Å; E156-Y278 HydrophobicContact CB-CE2 4.28Å; E156-Y278 VanDerWaalsContact CD-CD1 3.46Å; E156-Y278 HydrophobicContact CG-CD1 4.22Å; E156-Y278 HydrophobicContact CG-CD2 4.35Å; E156-Y278 HydrophobicContact CG-CE1 4.01Å; E156-Y278 HydrophobicContact CG-CE2 4.1Å; E156-Y278 HydrophobicContact CG-CG 4.39Å; E156-Y278 VanDerWaalsContact OE1-CD1 3.31Å; E156-Y278 WeakPolarHBondContact OE1-CD1 3.39Å; E156-Y278 WeakPolarHBondContact OE2-CE1 3.31Å; C189-Y278 HydrophobicContact CB-CE2 4.45Å; C189-Y278 WeakPolarHBondContact CB-OH 3.35Å; S193-Y278 PolarHBondContact OG-OH 3.29Å; Y219-Y278 HydrophobicContact CE1-CE1 4.03Å; Y219-Y278 AromaticContact CZ-CE1 3.91Å; Y219-Y278 WeakPolarHBondContact OH-CE1 3.42Å; Y219-Y278 PolarHBondContact OH-OH 3.42Å; A223-Y278 HydrophobicContact CB-CD1 3.37Å; A223-Y278 HydrophobicContact CB-CD2 4.43Å; A223-Y278 HydrophobicContact CB-CE1 3.48Å; A223-Y278 VanDerWaalsContact CB-CE1 3.48Å; A223-Y278 HydrophobicContact CB-CG 3.89Å; V224-Y278 WeakPolarHBondContact CG2-O 3.39Å; Y227-Y278 AromaticContact CD2-CD2 3.49Å; Y227-Y278 HydrophobicContact CD2-CD2 3.49Å; Y227-Y278 VanDerWaalsContact CD2-CD2 3.49Å; Y227-Y278 AromaticContact CD2-CE2 3.44Å; Y227-Y278 HydrophobicContact CD2-CE2 3.44Å; Y227-Y278 VanDerWaalsContact CD2-CE2 3.44Å; Y227-Y278 AromaticContact CE2-CD2 3.78Å; Y227-Y278 HydrophobicContact CE2-CD2 3.78Å; Y227-Y278 AromaticContact CE2-CE2 3.2Å; Y227-Y278 HydrophobicContact CE2-CE2 3.2Å; Y227-Y278 HydrophobicContact CG-CD2 4.04Å; Y227-Y278 HydrophobicContact CG-CE2 4.32Å; Y227-Y278 AromaticContact CZ-CE2 3.97Å; N274-Y278 WeakPolarHBondContact O-CD2 3.42Å; N274-Y278 PolarHBondContact O-N 3.26Å; L275-Y278 PolarHBondContact O-N 3.38Å; Y278-D281 PolarHBondContact O-N 3.33Å; Y278-L282 WeakPolarHBondContact O-CB 3.48Å; Y278-L282 PolarHBondContact O-N 2.88Å |
| 279 | L | 94.3 | Very high | 89.2 | Confident | 71 Ų | 71 | 52.3 Ų | 52.3 | 37% | 0.372 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 173.4 | -78.4 | 169.1 | 0 | 0 | 0 | 111.5 | V224 L275 V276 L277 L282 I283 | V224-L279 HydrophobicContact CB-CD2 4.47Å; V224-L279 HydrophobicContact CG1-CD2 3.55Å; V224-L279 HydrophobicContact CG1-CG 4.21Å; V224-L279 HydrophobicContact CG2-CD2 3.99Å; V224-L279 HydrophobicContact CG2-CG 4.18Å; L275-L279 HydrophobicContact CD1-CD1 4.33Å; L275-L279 HydrophobicContact CD1-CG 4.31Å; L275-L279 HydrophobicContact CG-CD1 4.1Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 VanDerWaalsContact O-CG 3.31Å; L275-L279 WeakPolarHBondContact O-CG 3.42Å; L275-L279 PolarHBondContact O-N 2.84Å; V276-L279 PolarHBondContact O-N 2.71Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L277-L279 PolarHBondContact O-N 3.21Å; L279-L282 PolarHBondContact O-N 3.43Å; L279-I283 VanDerWaalsContact O-CG1 3.28Å; L279-I283 WeakPolarHBondContact O-CG1 3.46Å; L279-I283 PolarHBondContact O-N 3.49Å |
| 280 | A | 93.6 | Very high | 87.5 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 22% | 0.223 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L152 V276 L277 L282 I283 Y284 | L152-A280 HydrophobicContact CD1-CB 4.03Å; L152-A280 HydrophobicContact CD2-CB 4.45Å; V276-A280 WeakPolarHBondContact O-CB 3.33Å; V276-A280 PolarHBondContact O-N 3.25Å; L277-A280 WeakPolarHBondContact O-CB 3.46Å; L277-A280 PolarHBondContact O-N 3.26Å; A280-L282 VanDerWaalsContact C-N 3.33Å; A280-L282 PolarHBondContact O-N 3.49Å; A280-I283 PolarHBondContact O-N 3.06Å; A280-I283 VanDerWaalsContact O-N 3.16Å; A280-Y284 WeakPolarHBondContact O-CD2 3.4Å; A280-Y284 PolarHBondContact O-N 3.46Å |
| 281 | D | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 177 | -176.1 | 49.6 | 0 | 0 | 0 | 112 | P149 L152 K153 E156 L277 Y278 I283 Y284 S285 | P149-D281 VanDerWaalsContact CB-OD1 3.3Å; P149-D281 WeakPolarHBondContact CB-OD1 3.42Å; L152-D281 HydrophobicContact CB-CB 4.41Å; L152-D281 HydrophobicContact CD1-CB 4.16Å; K153-D281 VanDerWaalsContact CE-OD2 3.25Å; K153-D281 WeakPolarHBondContact CE-OD2 3.43Å; K153-D281 IonicContact NZ-OD2 3.61Å; K153-D281 PolarHBondContact NZ-OD2 3.08Å; E156-D281 WeakPolarHBondContact OE1-CB 3.19Å; L277-D281 PolarHBondContact O-N 2.93Å; Y278-D281 PolarHBondContact O-N 3.33Å; D281-I283 PolarHBondContact O-N 3.18Å; D281-Y284 PolarHBondContact O-N 3.17Å; D281-S285 VanDerWaalsContact O-CB 3.24Å; D281-S285 WeakPolarHBondContact O-CB 3.15Å; D281-S285 PolarHBondContact O-N 2.72Å; D281-S285 PolarHBondContact O-OG 2.94Å |
| 282 | L | 90.7 | Very high | 83.5 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 23% | 0.225 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 173.2 | 179.2 | 60.9 | 0 | 0 | 0 | 111.9 | A220 V221 V224 Y278 L279 A280 S285 A286 | A220-L282 HydrophobicContact CB-CB 4.09Å; A220-L282 HydrophobicContact CB-CD1 3.91Å; V221-L282 HydrophobicContact CG2-CD1 3.49Å; V221-L282 VanDerWaalsContact CG2-CD1 3.49Å; V221-L282 HydrophobicContact CG2-CD2 4.41Å; V224-L282 HydrophobicContact CG2-CB 4.24Å; V224-L282 HydrophobicContact CG2-CD2 4.04Å; Y278-L282 WeakPolarHBondContact O-CB 3.48Å; Y278-L282 PolarHBondContact O-N 2.88Å; L279-L282 PolarHBondContact O-N 3.43Å; A280-L282 VanDerWaalsContact C-N 3.33Å; A280-L282 PolarHBondContact O-N 3.49Å; L282-S285 PolarHBondContact O-N 3.12Å; L282-A286 VanDerWaalsContact O-CB 3.27Å; L282-A286 WeakPolarHBondContact O-CB 3.12Å; L282-A286 PolarHBondContact O-N 3.17Å |
| 283 | I | 89.8 | Confident | 80.8 | Confident | 106 Ų | 106 | 71.8 Ų | 71.8 | 54% | 0.544 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 177.8 | -68.5 | 163.5 | 0 | 0 | 0 | 110.6 | L279 A280 D281 A286 R287 | L279-I283 VanDerWaalsContact O-CG1 3.28Å; L279-I283 WeakPolarHBondContact O-CG1 3.46Å; L279-I283 PolarHBondContact O-N 3.49Å; A280-I283 PolarHBondContact O-N 3.06Å; A280-I283 VanDerWaalsContact O-N 3.16Å; D281-I283 PolarHBondContact O-N 3.18Å; I283-A286 PolarHBondContact O-N 3.11Å; I283-R287 WeakPolarHBondContact O-CG 3.31Å; I283-R287 PolarHBondContact O-N 3.5Å |
| 284 | Y | 86.4 | Confident | 80 | Confident | 117 Ų | 117 | 72.2 Ų | 72.2 | 46% | 0.459 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 177.1 | -78 | -67.2 | 0 | 0 | 0 | 111.8 | A148 L152 A280 D281 R287 L288 | A148-Y284 HydrophobicContact CB-CD1 4.32Å; A148-Y284 HydrophobicContact CB-CE1 4.16Å; A148-Y284 HydrophobicContact CB-CE2 4.48Å; L152-Y284 HydrophobicContact CD1-CD2 3.52Å; L152-Y284 HydrophobicContact CD1-CE2 3.86Å; A280-Y284 WeakPolarHBondContact O-CD2 3.4Å; A280-Y284 PolarHBondContact O-N 3.46Å; D281-Y284 PolarHBondContact O-N 3.17Å; Y284-R287 PolarHBondContact O-N 3.41Å; Y284-L288 PolarHBondContact O-N 3.32Å |
| 285 | S | 81.3 | Confident | 79.2 | Confident | 8 Ų | 8 | 75.9 Ų | 75.9 | 6% | 0.056 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 177.4 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | D281 L282 L288 V289 | D281-S285 VanDerWaalsContact O-CB 3.24Å; D281-S285 WeakPolarHBondContact O-CB 3.15Å; D281-S285 PolarHBondContact O-N 2.72Å; D281-S285 PolarHBondContact O-OG 2.94Å; L282-S285 PolarHBondContact O-N 3.12Å; S285-L288 PolarHBondContact O-N 2.85Å; S285-V289 WeakPolarHBondContact O-CG2 3.24Å; S285-V289 PolarHBondContact O-N 3.19Å; S285-V289 VanDerWaalsContact O-N 3.12Å |
| 286 | A | 80.6 | Confident | 78.2 | Confident | 35 Ų | 35 | 79.2 Ų | 79.2 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L282 I283 L288 V289 F290 | L282-A286 VanDerWaalsContact O-CB 3.27Å; L282-A286 WeakPolarHBondContact O-CB 3.12Å; L282-A286 PolarHBondContact O-N 3.17Å; I283-A286 PolarHBondContact O-N 3.11Å; A286-L288 VanDerWaalsContact C-N 3.3Å; A286-L288 PolarHBondContact O-N 2.86Å; A286-V289 PolarHBondContact O-N 3.05Å; A286-F290 HydrophobicContact CB-CD2 4.2Å; A286-F290 WeakPolarHBondContact O-CB 3.49Å; A286-F290 VanDerWaalsContact O-CD2 3.27Å; A286-F290 WeakPolarHBondContact O-CD2 3.42Å; A286-F290 PolarHBondContact O-N 3.21Å |
| 287 | R | 76.3 | Confident | 77.1 | Confident | 171 Ų | 171 | 78.3 Ų | 78.3 | 65% | 0.645 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -59.7 | -41.4 | 175 | -70.6 | -68.5 | -173.9 | -171.2 | 0.3 | 111.9 | I283 Y284 V289 V291 | I283-R287 WeakPolarHBondContact O-CG 3.31Å; I283-R287 PolarHBondContact O-N 3.5Å; Y284-R287 PolarHBondContact O-N 3.41Å; R287-V289 VanDerWaalsContact C-N 3.34Å; R287-V289 PolarHBondContact O-N 3.33Å; R287-V291 WeakPolarHBondContact O-CB 3.29Å; R287-V291 VanDerWaalsContact O-CG2 3.22Å; R287-V291 WeakPolarHBondContact O-CG2 3.3Å; R287-V291 PolarHBondContact O-N 2.89Å; R287-V291 VanDerWaalsContact O-N 3.08Å |
| 288 | L | 68.1 | Low | 76 | Confident | 106 Ų | 106 | 81.4 Ų | 81.4 | 56% | 0.555 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.9 | -33.3 | 177.8 | -85.1 | 155.3 | 0 | 0 | 0 | 113.7 | P149 Y284 S285 A286 T292 | P149-L288 HydrophobicContact CG-CD1 4.21Å; Y284-L288 PolarHBondContact O-N 3.32Å; S285-L288 PolarHBondContact O-N 2.85Å; A286-L288 VanDerWaalsContact C-N 3.3Å; A286-L288 PolarHBondContact O-N 2.86Å; L288-T292 WeakPolarHBondContact O-CG2 3.49Å; L288-T292 PolarHBondContact O-OG1 3.43Å |
| 289 | V | 65.8 | Low | 74.8 | Confident | 54 Ų | 54 | 86.8 Ų | 86.8 | 33% | 0.327 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -88.5 | -36.4 | -178.1 | 175.2 | 0 | 0 | 0 | 0 | 112.4 | S285 A286 R287 T292 | S285-V289 WeakPolarHBondContact O-CG2 3.24Å; S285-V289 PolarHBondContact O-N 3.19Å; S285-V289 VanDerWaalsContact O-N 3.12Å; A286-V289 PolarHBondContact O-N 3.05Å; R287-V289 VanDerWaalsContact C-N 3.34Å; R287-V289 PolarHBondContact O-N 3.33Å; V289-T292 PolarHBondContact O-OG1 3.43Å |
| 290 | F | 59.3 | Low | 73.4 | Confident | 162 Ų | 162 | 87.9 Ų | 87.9 | 71% | 0.711 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -92.9 | -19.4 | -174.3 | -73.6 | -73.9 | 0 | 0 | 0 | 114.7 | A286 | A286-F290 HydrophobicContact CB-CD2 4.2Å; A286-F290 WeakPolarHBondContact O-CB 3.49Å; A286-F290 VanDerWaalsContact O-CD2 3.27Å; A286-F290 WeakPolarHBondContact O-CD2 3.42Å; A286-F290 PolarHBondContact O-N 3.21Å |
| 291 | V | 56 | Low | 71.8 | Confident | 105 Ų | 105 | 92.6 Ų | 92.6 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -90.3 | -10 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 112 | R287 V293 | R287-V291 WeakPolarHBondContact O-CB 3.29Å; R287-V291 VanDerWaalsContact O-CG2 3.22Å; R287-V291 WeakPolarHBondContact O-CG2 3.3Å; R287-V291 PolarHBondContact O-N 2.89Å; R287-V291 VanDerWaalsContact O-N 3.08Å; V291-V293 VanDerWaalsContact C-N 3.32Å |
| 292 | T | 49.5 | Very low | 70.2 | Confident | 113 Ų | 113 | 100.3 Ų | 100.3 | 69% | 0.693 | 52% | 0.521 | S | S | * | . | trans | -92 | 19.6 | 175.4 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | L288 V289 | L288-T292 WeakPolarHBondContact O-CG2 3.49Å; L288-T292 PolarHBondContact O-OG1 3.43Å; V289-T292 PolarHBondContact O-OG1 3.43Å | ||
| 293 | V | 38.8 | Very low | 68.3 | Low | 184 Ų | 184 | 105.5 Ų | 105.5 | 100% | 1.115 | 55% | 0.548 | S | S | * | . | trans | -107.5 | 0 | 173.5 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | V291 | V291-V293 VanDerWaalsContact C-N 3.32Š|
Retrieved 293 of 293 residues in 1334.9 ms
(Link to these results)