| 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 | 48.4 | Very low | 84.3 | Confident | 174 Ų | 174 | 70.3 Ų | 70.3 | 86% | 0.857 | 43% | 0.43 | S | S | * | . | 0 | 16.3 | 0 | -67 | -165.2 | -80.1 | 0 | 0 | 114.1 | F134 | M1-F134 HydrophobicContact CE-CE2 4.01Å; M1-F134 HydrophobicContact CE-CZ 3.98Å; M1-F134 HydrophobicContact SD-CE1 4.22Å; M1-F134 HydrophobicContact SD-CE2 3.98Å; M1-F134 HydrophobicContact SD-CZ 3.31Å; M1-F134 WeakPolarHBondContact SD-CZ 3.39Å | |||
| 2 | A | 60.9 | Low | 85.2 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 63% | 0.628 | 40% | 0.395 | S | S | * | . | trans | -78.1 | -24.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112.7 | L5 S6 | A2-L5 PolarHBondContact O-N 3.15Å; A2-S6 WeakPolarHBondContact O-CB 3.46Å; A2-S6 PolarHBondContact O-N 3.39Å; A2-S6 PolarHBondContact O-OG 3.35Å; A2-S6 VanDerWaalsContact O-OG 3.08Å | ||
| 3 | A | 68.6 | Low | 86.1 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 58% | 0.579 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -50.5 | -46 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | S6 L7 | A3-S6 VanDerWaalsContact CA-OG 3.28Å; A3-S6 WeakPolarHBondContact CA-OG 3.49Å; A3-S6 PolarHBondContact O-OG 2.77Å; A3-L7 VanDerWaalsContact O-CB 3.31Å; A3-L7 WeakPolarHBondContact O-CB 3.02Å; A3-L7 PolarHBondContact O-N 3.45Å |
| 4 | P | 87.6 | Confident | 86.8 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.3 | -36.5 | -178.9 | 27.3 | -34 | 0 | 0 | 0 | 112.5 | L8 L138 | P4-L8 WeakPolarHBondContact O-CB 3.43Å; P4-L8 PolarHBondContact O-N 2.84Å; P4-L8 VanDerWaalsContact O-N 3.07Å; P4-L138 HydrophobicContact CB-CD1 4.44Å; P4-L138 HydrophobicContact CB-CD2 4.03Å |
| 5 | L | 91.4 | Very high | 87.4 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 175.6 | 180 | 64.8 | 0 | 0 | 0 | 110.6 | A2 L7 L8 L9 Y96 L138 A141 | A2-L5 PolarHBondContact O-N 3.15Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.24Å; L5-L8 WeakPolarHBondContact O-CB 3.49Å; L5-L8 PolarHBondContact O-N 3.29Å; L5-L9 HydrophobicContact CD1-CG 4.47Å; L5-L9 HydrophobicContact CG-CD1 4.29Å; L5-L9 HydrophobicContact CG-CG 4.47Å; L5-L9 VanDerWaalsContact O-CG 3.29Å; L5-L9 WeakPolarHBondContact O-CG 3.29Å; L5-L9 PolarHBondContact O-N 2.99Å; L5-Y96 HydrophobicContact CD1-CD2 4.2Å; L5-Y96 HydrophobicContact CD1-CG 4.38Å; L5-Y96 HydrophobicContact CD2-CD1 3.78Å; L5-Y96 HydrophobicContact CD2-CD2 4.3Å; L5-Y96 HydrophobicContact CD2-CE1 3.89Å; L5-Y96 HydrophobicContact CD2-CE2 4.43Å; L5-Y96 HydrophobicContact CD2-CG 4Å; L5-L138 HydrophobicContact CB-CD1 4.47Å; L5-A141 HydrophobicContact CD1-CB 4.07Å |
| 6 | S | 92.4 | Very high | 88 | Confident | 56 Ų | 56 | 60.2 Ų | 60.2 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 177.9 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | A2 A3 L9 V10 | A2-S6 WeakPolarHBondContact O-CB 3.46Å; A2-S6 PolarHBondContact O-N 3.39Å; A2-S6 PolarHBondContact O-OG 3.35Å; A2-S6 VanDerWaalsContact O-OG 3.08Å; A3-S6 VanDerWaalsContact CA-OG 3.28Å; A3-S6 WeakPolarHBondContact CA-OG 3.49Å; A3-S6 PolarHBondContact O-OG 2.77Å; S6-L9 PolarHBondContact O-N 2.9Å; S6-V10 WeakPolarHBondContact O-CG2 3.41Å; S6-V10 PolarHBondContact O-N 3.01Å |
| 7 | L | 94.5 | Very high | 88.4 | Confident | 115 Ų | 115 | 58.4 Ų | 58.4 | 60% | 0.602 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.7 | -46.6 | 174.6 | -180 | 63.8 | 0 | 0 | 0 | 111.2 | A3 L5 L9 V10 V11 | A3-L7 VanDerWaalsContact O-CB 3.31Å; A3-L7 WeakPolarHBondContact O-CB 3.02Å; A3-L7 PolarHBondContact O-N 3.45Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.24Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 3.26Å; L7-V10 PolarHBondContact O-N 3.43Å; L7-V11 HydrophobicContact CD1-CG2 4.4Å; L7-V11 WeakPolarHBondContact O-CG2 3.03Å; L7-V11 PolarHBondContact O-N 3.08Å |
| 8 | L | 94.9 | Very high | 88.8 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | 176.7 | 176.1 | 66 | 0 | 0 | 0 | 111.9 | P4 L5 V11 A12 L138 A141 M142 L145 L146 | P4-L8 WeakPolarHBondContact O-CB 3.43Å; P4-L8 PolarHBondContact O-N 2.84Å; P4-L8 VanDerWaalsContact O-N 3.07Å; L5-L8 WeakPolarHBondContact O-CB 3.49Å; L5-L8 PolarHBondContact O-N 3.29Å; L8-V11 PolarHBondContact O-N 3.38Å; L8-A12 VanDerWaalsContact O-CB 3.24Å; L8-A12 WeakPolarHBondContact O-CB 3.15Å; L8-A12 PolarHBondContact O-N 3.46Å; L8-L138 HydrophobicContact CD2-CD1 4.23Å; L8-A141 HydrophobicContact CD2-CB 4.05Å; L8-M142 HydrophobicContact CD1-CB 4.34Å; L8-M142 HydrophobicContact CD1-CG 4.21Å; L8-M142 HydrophobicContact CD2-CB 3.93Å; L8-L145 HydrophobicContact CD2-CD1 4.06Å; L8-L145 HydrophobicContact CG-CD1 3.93Å; L8-L146 HydrophobicContact CD1-CD1 4.01Å; L8-L146 HydrophobicContact CD1-CD2 4.23Å; L8-L146 HydrophobicContact CD1-CG 4.05Å |
| 9 | L | 95.8 | Very high | 89.1 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 177.1 | -69.3 | 175.4 | 0 | 0 | 0 | 111.6 | L5 S6 L7 A12 V13 V89 V93 L145 | L5-L9 HydrophobicContact CD1-CG 4.47Å; L5-L9 HydrophobicContact CG-CD1 4.29Å; L5-L9 HydrophobicContact CG-CG 4.47Å; L5-L9 VanDerWaalsContact O-CG 3.29Å; L5-L9 WeakPolarHBondContact O-CG 3.29Å; L5-L9 PolarHBondContact O-N 2.99Å; S6-L9 PolarHBondContact O-N 2.9Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 3.26Å; L9-A12 PolarHBondContact O-N 3.28Å; L9-V13 WeakPolarHBondContact O-CB 3.23Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 3.28Å; L9-V89 HydrophobicContact CD1-CG1 4.48Å; L9-V89 HydrophobicContact CD2-CB 4.49Å; L9-V89 HydrophobicContact CD2-CG1 4.06Å; L9-V89 HydrophobicContact CD2-CG2 4.24Å; L9-V93 HydrophobicContact CD1-CG2 4.06Å; L9-V93 HydrophobicContact CD2-CG2 4.35Å; L9-L145 HydrophobicContact CD2-CD1 3.71Å |
| 10 | V | 96.3 | Very high | 89.3 | Confident | 90 Ų | 90 | 56 Ų | 56 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 177.1 | 174 | 0 | 0 | 0 | 0 | 110.3 | S6 L7 A12 V13 T14 | S6-V10 WeakPolarHBondContact O-CG2 3.41Å; S6-V10 PolarHBondContact O-N 3.01Å; L7-V10 PolarHBondContact O-N 3.43Å; V10-A12 PolarHBondContact O-N 3.21Å; V10-V13 PolarHBondContact O-N 3.19Å; V10-T14 HydrophobicContact CG1-CG2 4.18Å; V10-T14 WeakPolarHBondContact O-CB 3.43Å; V10-T14 WeakPolarHBondContact O-CG2 3.48Å; V10-T14 PolarHBondContact O-N 2.95Å; V10-T14 PolarHBondContact O-OG1 3.07Å |
| 11 | V | 96.3 | Very high | 89.4 | Confident | 61 Ų | 61 | 63.9 Ų | 63.9 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L7 L8 V13 T14 I15 | L7-V11 HydrophobicContact CD1-CG2 4.4Å; L7-V11 WeakPolarHBondContact O-CG2 3.03Å; L7-V11 PolarHBondContact O-N 3.08Å; L8-V11 PolarHBondContact O-N 3.38Å; V11-V13 PolarHBondContact O-N 3.27Å; V11-T14 WeakPolarHBondContact CA-OG1 3.18Å; V11-T14 PolarHBondContact O-N 3.14Å; V11-T14 PolarHBondContact O-OG1 3.26Å; V11-I15 HydrophobicContact CG1-CD1 3.82Å; V11-I15 WeakPolarHBondContact O-CG1 3.45Å; V11-I15 PolarHBondContact O-N 3.21Å |
| 12 | A | 95.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L8 L9 V10 R16 L145 | L8-A12 VanDerWaalsContact O-CB 3.24Å; L8-A12 WeakPolarHBondContact O-CB 3.15Å; L8-A12 PolarHBondContact O-N 3.46Å; L9-A12 PolarHBondContact O-N 3.28Å; V10-A12 PolarHBondContact O-N 3.21Å; A12-R16 WeakPolarHBondContact O-CD 3.35Å; A12-R16 WeakPolarHBondContact O-CG 3.41Å; A12-R16 PolarHBondContact O-N 2.74Å; A12-R16 PolarHBondContact O-NH1 2.93Å; A12-R16 VanDerWaalsContact O-NH1 3.14Å; A12-L145 HydrophobicContact CB-CB 3.74Å; A12-L145 HydrophobicContact CB-CD1 4.09Å; A12-L145 HydrophobicContact CB-CD2 3.99Å; A12-L145 HydrophobicContact CB-CG 4.15Å |
| 13 | V | 96.3 | Very high | 93 | Very high | 50 Ų | 50 | 58.9 Ų | 58.9 | 30% | 0.303 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | L9 V10 V11 I15 R16 A17 M85 V89 | L9-V13 WeakPolarHBondContact O-CB 3.23Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 3.28Å; V10-V13 PolarHBondContact O-N 3.19Å; V11-V13 PolarHBondContact O-N 3.27Å; V13-I15 PolarHBondContact O-N 3.29Å; V13-R16 PolarHBondContact O-N 3.08Å; V13-A17 VanDerWaalsContact O-CB 3.32Å; V13-A17 WeakPolarHBondContact O-CB 3.35Å; V13-A17 PolarHBondContact O-N 3.05Å; V13-M85 HydrophobicContact CG1-SD 4.23Å; V13-V89 HydrophobicContact CG2-CG2 3.7Å |
| 14 | T | 96.1 | Very high | 94 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 47% | 0.466 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 177.5 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | V10 V11 A17 A18 | V10-T14 HydrophobicContact CG1-CG2 4.18Å; V10-T14 WeakPolarHBondContact O-CB 3.43Å; V10-T14 WeakPolarHBondContact O-CG2 3.48Å; V10-T14 PolarHBondContact O-N 2.95Å; V10-T14 PolarHBondContact O-OG1 3.07Å; V11-T14 WeakPolarHBondContact CA-OG1 3.18Å; V11-T14 PolarHBondContact O-N 3.14Å; V11-T14 PolarHBondContact O-OG1 3.26Å; T14-A17 PolarHBondContact O-N 3.45Å; T14-A18 VanDerWaalsContact O-CB 3.26Å; T14-A18 WeakPolarHBondContact O-CB 3.33Å; T14-A18 PolarHBondContact O-N 3.47Å |
| 15 | I | 95.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 175 | -68.6 | 166.9 | 0 | 0 | 0 | 110.7 | V11 V13 A18 L19 L146 I151 | V11-I15 HydrophobicContact CG1-CD1 3.82Å; V11-I15 WeakPolarHBondContact O-CG1 3.45Å; V11-I15 PolarHBondContact O-N 3.21Å; V13-I15 PolarHBondContact O-N 3.29Å; I15-A18 PolarHBondContact O-N 3.12Å; I15-L19 HydrophobicContact CG2-CD1 3.98Å; I15-L19 WeakPolarHBondContact O-CG 3.46Å; I15-L19 PolarHBondContact O-N 3.38Å; I15-L146 HydrophobicContact CD1-CD2 4.42Å; I15-I151 HydrophobicContact CG2-CD1 4.24Å; I15-I151 HydrophobicContact CG2-CG2 4.33Å |
| 16 | R | 96.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 178.3 | -72.9 | 164.4 | 173.2 | 66.8 | 3.8 | 111.9 | A12 V13 A18 L19 N20 M85 D88 L145 T150 C154 | A12-R16 WeakPolarHBondContact O-CD 3.35Å; A12-R16 WeakPolarHBondContact O-CG 3.41Å; A12-R16 PolarHBondContact O-N 2.74Å; A12-R16 PolarHBondContact O-NH1 2.93Å; A12-R16 VanDerWaalsContact O-NH1 3.14Å; V13-R16 PolarHBondContact O-N 3.08Å; R16-A18 VanDerWaalsContact C-N 3.34Å; R16-A18 PolarHBondContact O-N 2.99Å; R16-L19 PolarHBondContact O-N 3.41Å; R16-N20 WeakPolarHBondContact O-CB 3.28Å; R16-N20 PolarHBondContact O-N 3.47Å; R16-M85 HydrophobicContact CB-CG 3.99Å; R16-M85 HydrophobicContact CB-SD 3.94Å; R16-D88 IonicContact CZ-OD2 3.98Å; R16-D88 IonicContact NE-OD2 3.8Å; R16-D88 PolarHBondContact NE-OD2 3.38Å; R16-D88 IonicContact NH2-OD2 3.18Å; R16-D88 PolarHBondContact NH2-OD2 3.01Å; R16-L145 PolarHBondContact NH1-O 3.33Å; R16-L145 PolarHBondContact NH2-O 3.2Å; R16-L145 VanDerWaalsContact NH2-O 3.17Å; R16-T150 PolarHBondContact NH2-OG1 3.47Å; R16-T150 VanDerWaalsContact NH2-OG1 3.14Å; R16-C154 HydrophobicContact CG-CB 4.45Å |
| 17 | A | 95.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 65.2 Ų | 65.2 | 25% | 0.248 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V13 T14 R21 M85 | V13-A17 VanDerWaalsContact O-CB 3.32Å; V13-A17 WeakPolarHBondContact O-CB 3.35Å; V13-A17 PolarHBondContact O-N 3.05Å; T14-A17 PolarHBondContact O-N 3.45Å; A17-R21 WeakPolarHBondContact O-CG 3.28Å; A17-R21 PolarHBondContact O-N 3.31Å; A17-M85 HydrophobicContact CB-SD 4.1Å |
| 18 | A | 95.9 | Very high | 94 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T14 I15 R16 R21 S22 | T14-A18 VanDerWaalsContact O-CB 3.26Å; T14-A18 WeakPolarHBondContact O-CB 3.33Å; T14-A18 PolarHBondContact O-N 3.47Å; I15-A18 PolarHBondContact O-N 3.12Å; R16-A18 VanDerWaalsContact C-N 3.34Å; R16-A18 PolarHBondContact O-N 2.99Å; A18-R21 PolarHBondContact O-N 3.14Å; A18-S22 PolarHBondContact O-N 2.81Å |
| 19 | L | 94.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.2 | -39.4 | 178.4 | -71.7 | 172.1 | 0 | 0 | 0 | 112.7 | I15 R16 R21 S22 L24 I151 V155 | I15-L19 HydrophobicContact CG2-CD1 3.98Å; I15-L19 WeakPolarHBondContact O-CG 3.46Å; I15-L19 PolarHBondContact O-N 3.38Å; R16-L19 PolarHBondContact O-N 3.41Å; L19-R21 PolarHBondContact O-N 3.14Å; L19-S22 WeakPolarHBondContact O-CB 3.31Å; L19-S22 PolarHBondContact O-N 3Å; L19-S22 PolarHBondContact O-OG 3.33Å; L19-L24 HydrophobicContact CD2-CD1 4.33Å; L19-I151 HydrophobicContact CD1-CG2 3.4Å; L19-I151 VanDerWaalsContact CD1-CG2 3.4Å; L19-V155 HydrophobicContact CB-CG2 3.69Å; L19-V155 HydrophobicContact CD1-CG2 4.38Å |
| 20 | N | 91.7 | Very high | 93.6 | Very high | 13 Ų | 13 | 64.7 Ų | 64.7 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59 | -33.4 | 175.1 | -84.6 | -19.7 | 0 | 0 | 0 | 113 | R16 S22 V155 | R16-N20 WeakPolarHBondContact O-CB 3.28Å; R16-N20 PolarHBondContact O-N 3.47Å; N20-S22 VanDerWaalsContact C-N 3.3Å; N20-V155 WeakPolarHBondContact OD1-CA 3.31Å; N20-V155 PolarHBondContact OD1-O 3.01Å |
| 21 | R | 92.2 | Very high | 93.5 | Very high | 221 Ų | 221 | 62.7 Ų | 62.7 | 83% | 0.834 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -4.2 | 177.6 | -68.3 | -180 | -179.4 | -174.5 | 0.3 | 113.9 | A17 A18 L19 | A17-R21 WeakPolarHBondContact O-CG 3.28Å; A17-R21 PolarHBondContact O-N 3.31Å; A18-R21 PolarHBondContact O-N 3.14Å; L19-R21 PolarHBondContact O-N 3.14Å |
| 22 | S | 93.9 | Very high | 93.3 | Very high | 39 Ų | 39 | 60.8 Ų | 60.8 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -92.7 | 159.3 | -179.4 | 77.8 | 0 | 0 | 0 | 0 | 111.5 | A18 L19 N20 L24 A25 | A18-S22 PolarHBondContact O-N 2.81Å; L19-S22 WeakPolarHBondContact O-CB 3.31Å; L19-S22 PolarHBondContact O-N 3Å; L19-S22 PolarHBondContact O-OG 3.33Å; N20-S22 VanDerWaalsContact C-N 3.3Å; S22-L24 PolarHBondContact O-N 3.46Å; S22-L24 WeakPolarHBondContact OG-CB 3.36Å; S22-L24 PolarHBondContact OG-N 3.19Å; S22-A25 WeakPolarHBondContact O-CB 3.39Å; S22-A25 PolarHBondContact O-N 3.39Å; S22-A25 VanDerWaalsContact O-N 3.13Å |
| 23 | S | 91.3 | Very high | 93.2 | Very high | 107 Ų | 107 | 61.3 Ų | 61.3 | 75% | 0.748 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -13 | 173.1 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | A25 | S23-A25 VanDerWaalsContact C-N 3.26Å; S23-A25 PolarHBondContact O-N 3.34Å |
| 24 | L | 90.3 | Very high | 93.1 | Very high | 86 Ų | 86 | 59.1 Ų | 59.1 | 45% | 0.45 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70 | -24.1 | 176 | -60.7 | 173.1 | 0 | 0 | 0 | 112.2 | L19 S22 E26 L27 I28 | L19-L24 HydrophobicContact CD2-CD1 4.33Å; S22-L24 PolarHBondContact O-N 3.46Å; S22-L24 WeakPolarHBondContact OG-CB 3.36Å; S22-L24 PolarHBondContact OG-N 3.19Å; L24-E26 PolarHBondContact O-N 3.26Å; L24-L27 PolarHBondContact O-N 3.38Å; L24-I28 HydrophobicContact CB-CD1 3.99Å; L24-I28 WeakPolarHBondContact O-CB 2.84Å; L24-I28 WeakPolarHBondContact O-CD1 3.47Å; L24-I28 WeakPolarHBondContact O-CG1 3.25Å; L24-I28 PolarHBondContact O-N 3.37Å |
| 25 | A | 91.8 | Very high | 93 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 12% | 0.124 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S22 S23 I28 A29 V155 | S22-A25 WeakPolarHBondContact O-CB 3.39Å; S22-A25 PolarHBondContact O-N 3.39Å; S22-A25 VanDerWaalsContact O-N 3.13Å; S23-A25 VanDerWaalsContact C-N 3.26Å; S23-A25 PolarHBondContact O-N 3.34Å; A25-I28 PolarHBondContact O-N 2.95Å; A25-A29 WeakPolarHBondContact O-CB 3.31Å; A25-A29 PolarHBondContact O-N 3.12Å; A25-V155 HydrophobicContact CB-CG1 3.87Å |
| 26 | E | 90.1 | Very high | 92.8 | Very high | 156 Ų | 156 | 53.7 Ų | 53.7 | 73% | 0.729 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 177 | -67.3 | -179.4 | 175.9 | 0 | 0 | 111.4 | L24 I28 A29 E30 | L24-E26 PolarHBondContact O-N 3.26Å; E26-I28 VanDerWaalsContact C-N 3.32Å; E26-I28 PolarHBondContact O-N 3.29Å; E26-A29 PolarHBondContact O-N 2.94Å; E26-E30 PolarHBondContact O-N 2.87Å |
| 27 | L | 90.9 | Very high | 92.5 | Very high | 82 Ų | 82 | 53.9 Ų | 53.9 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 177.7 | 179.4 | 150.2 | 0 | 0 | 0 | 112 | L24 E30 R31 | L24-L27 PolarHBondContact O-N 3.38Å; L27-E30 PolarHBondContact O-N 2.93Å; L27-R31 WeakPolarHBondContact O-CG 3.1Å |
| 28 | I | 92.9 | Very high | 92.3 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 178.4 | -69.5 | 162.5 | 0 | 0 | 0 | 110.8 | L24 A25 E26 E30 R31 V34 L152 V155 A156 | L24-I28 HydrophobicContact CB-CD1 3.99Å; L24-I28 WeakPolarHBondContact O-CB 2.84Å; L24-I28 WeakPolarHBondContact O-CD1 3.47Å; L24-I28 WeakPolarHBondContact O-CG1 3.25Å; L24-I28 PolarHBondContact O-N 3.37Å; A25-I28 PolarHBondContact O-N 2.95Å; E26-I28 VanDerWaalsContact C-N 3.32Å; E26-I28 PolarHBondContact O-N 3.29Å; I28-E30 PolarHBondContact O-N 3.28Å; I28-R31 WeakPolarHBondContact O-CB 3.36Å; I28-R31 PolarHBondContact O-N 3.06Å; I28-R31 VanDerWaalsContact O-N 3.12Å; I28-V34 HydrophobicContact CG2-CG1 4.39Å; I28-V34 HydrophobicContact CG2-CG2 4.42Å; I28-L152 HydrophobicContact CD1-CD2 3.72Å; I28-L152 HydrophobicContact CG1-CD2 3.87Å; I28-L152 HydrophobicContact CG2-CB 4.27Å; I28-L152 HydrophobicContact CG2-CD2 3.87Å; I28-L152 WeakPolarHBondContact CG2-O 3.45Å; I28-V155 HydrophobicContact CB-CG1 4.38Å; I28-V155 HydrophobicContact CD1-CG1 3.89Å; I28-V155 HydrophobicContact CG2-CB 4.49Å; I28-V155 HydrophobicContact CG2-CG1 4.33Å; I28-A156 HydrophobicContact CG2-CB 4.13Å |
| 29 | A | 92.1 | Very high | 92.2 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -19.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A25 E26 A156 | A25-A29 WeakPolarHBondContact O-CB 3.31Å; A25-A29 PolarHBondContact O-N 3.12Å; E26-A29 PolarHBondContact O-N 2.94Å; A29-A156 HydrophobicContact CB-CB 4.47Å |
| 30 | E | 90.6 | Very high | 92.1 | Very high | 111 Ų | 111 | 48.4 Ų | 48.4 | 52% | 0.519 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -3.5 | 176.7 | -65.7 | -173.8 | 166.1 | 0 | 0 | 113.7 | E26 L27 I28 V32 K42 | E26-E30 PolarHBondContact O-N 2.87Å; L27-E30 PolarHBondContact O-N 2.93Å; I28-E30 PolarHBondContact O-N 3.28Å; E30-V32 PolarHBondContact O-N 3.06Å; E30-K42 IonicContact OE1-NZ 3.66Å; E30-K42 PolarHBondContact OE1-NZ 3.1Å |
| 31 | R | 92.9 | Very high | 92.3 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 18% | 0.181 | 25% | 0.251 | C | S | . | . | trans | -75.5 | 123.2 | -179.1 | -68.9 | -52.6 | -179.8 | 161.6 | -1.5 | 111.8 | L27 I28 E33 V34 V35 W373 | L27-R31 WeakPolarHBondContact O-CG 3.1Å; I28-R31 WeakPolarHBondContact O-CB 3.36Å; I28-R31 PolarHBondContact O-N 3.06Å; I28-R31 VanDerWaalsContact O-N 3.12Å; R31-E33 VanDerWaalsContact CB-OE2 3.31Å; R31-E33 WeakPolarHBondContact CB-OE2 3.49Å; R31-E33 PolarHBondContact O-N 3.39Å; R31-V34 HydrophobicContact CB-CB 4.27Å; R31-V34 HydrophobicContact CB-CG2 3.86Å; R31-V34 PolarHBondContact O-N 3.02Å; R31-V35 PolarHBondContact O-N 2.92Å; R31-V35 VanDerWaalsContact O-N 3.1Å; R31-W373 VanDerWaalsContact NH1-CD1 3.32Å | ||
| 32 | V | 93.1 | Very high | 92.4 | Very high | 21 Ų | 21 | 44 Ų | 44 | 13% | 0.127 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -18.4 | 177.1 | -71 | 0 | 0 | 0 | 0 | 113.9 | E30 P269 W373 Y387 | E30-V32 PolarHBondContact O-N 3.06Å; V32-P269 VanDerWaalsContact CB-O 3.28Å; V32-P269 WeakPolarHBondContact CB-O 3.27Å; V32-P269 WeakPolarHBondContact CG1-O 3.43Å; V32-W373 HydrophobicContact CB-CH2 4.29Å; V32-W373 HydrophobicContact CB-CZ3 4.31Å; V32-W373 HydrophobicContact CG1-CH2 3.41Å; V32-W373 VanDerWaalsContact CG1-CH2 3.41Å; V32-W373 HydrophobicContact CG1-CZ2 3.73Å; V32-W373 HydrophobicContact CG1-CZ3 3.88Å; V32-W373 HydrophobicContact CG2-CD2 3.81Å; V32-W373 HydrophobicContact CG2-CE3 3.49Å; V32-W373 VanDerWaalsContact CG2-CE3 3.49Å; V32-W373 HydrophobicContact CG2-CH2 3.9Å; V32-W373 HydrophobicContact CG2-CZ2 4.16Å; V32-W373 HydrophobicContact CG2-CZ3 3.57Å; V32-Y387 HydrophobicContact CG2-CE1 4.5Å; V32-Y387 WeakPolarHBondContact CG2-OH 3.06Å |
| 33 | E | 93.4 | Very high | 92.3 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -32.4 | 174.7 | -55 | 87.4 | 160.4 | 0 | 0 | 112.1 | R31 I271 V332 F369 Y387 | R31-E33 VanDerWaalsContact CB-OE2 3.31Å; R31-E33 WeakPolarHBondContact CB-OE2 3.49Å; R31-E33 PolarHBondContact O-N 3.39Å; E33-I271 HydrophobicContact CB-CG2 4Å; E33-I271 HydrophobicContact CG-CG2 4.07Å; E33-V332 HydrophobicContact CB-CG1 4.13Å; E33-V332 WeakPolarHBondContact O-CG1 3.44Å; E33-V332 PolarHBondContact O-N 2.96Å; E33-F369 HydrophobicContact CG-CB 3.88Å; E33-F369 HydrophobicContact CG-CG 4.12Å; E33-Y387 WeakPolarHBondContact CG-OH 3.48Å |
| 34 | V | 93.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -32.4 | -169.9 | -174 | 0 | 0 | 0 | 0 | 111.4 | I28 R31 L152 A156 V332 | I28-V34 HydrophobicContact CG2-CG1 4.39Å; I28-V34 HydrophobicContact CG2-CG2 4.42Å; R31-V34 HydrophobicContact CB-CB 4.27Å; R31-V34 HydrophobicContact CB-CG2 3.86Å; R31-V34 PolarHBondContact O-N 3.02Å; V34-L152 HydrophobicContact CG1-CB 4.23Å; V34-L152 WeakPolarHBondContact CG1-O 3.45Å; V34-L152 HydrophobicContact CG2-CB 3.99Å; V34-L152 HydrophobicContact CG2-CD1 4.47Å; V34-A156 HydrophobicContact CB-CB 4.42Å; V34-A156 HydrophobicContact CG1-CB 3.43Å; V34-A156 VanDerWaalsContact CG1-CB 3.43Å; V34-V332 HydrophobicContact CG2-CG2 4.25Å |
| 35 | V | 92.9 | Very high | 92.7 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 11% | 0.109 | 20% | 0.195 | C | C | . | . | trans | -128.5 | 144.3 | -170.9 | 179.4 | 0 | 0 | 0 | 0 | 110 | R31 A40 A156 | R31-V35 PolarHBondContact O-N 2.92Å; R31-V35 VanDerWaalsContact O-N 3.1Å; V35-A40 HydrophobicContact CG1-CB 3.23Å; V35-A156 HydrophobicContact CG2-CB 3.72Å | ||
| 36 | S | 92.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.035 | 21% | 0.21 | C | C | . | . | trans | -124.2 | 168.5 | 175.2 | 71.2 | 0 | 0 | 0 | 0 | 111.4 | I38 T39 A40 | S36-I38 PolarHBondContact O-N 2.88Å; S36-T39 PolarHBondContact N-OG1 3.07Å; S36-T39 PolarHBondContact O-N 2.97Å; S36-T39 PolarHBondContact OG-N 2.93Å; S36-T39 PolarHBondContact OG-OG1 3.04Å; S36-A40 WeakPolarHBondContact O-CB 3.29Å; S36-A40 PolarHBondContact O-N 3.11Å | ||
| 37 | P | 90.1 | Very high | 93 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -27 | 173.8 | -32.9 | 39.9 | 0 | 0 | 0 | 114.7 | R43 F260 D266 T268 Y329 | P37-R43 WeakPolarHBondContact O-CD 3.46Å; P37-R43 PolarHBondContact O-NH1 2.85Å; P37-F260 HydrophobicContact CB-CE1 3.93Å; P37-F260 HydrophobicContact CB-CZ 3.76Å; P37-D266 HydrophobicContact CB-CB 4.37Å; P37-D266 WeakPolarHBondContact CB-OD2 3.49Å; P37-D266 HydrophobicContact CG-CB 4.13Å; P37-D266 WeakPolarHBondContact CG-OD2 3.33Å; P37-T268 WeakPolarHBondContact CG-OG1 3.41Å; P37-Y329 HydrophobicContact CB-CE1 4.42Å; P37-Y329 HydrophobicContact CG-CD1 4.1Å; P37-Y329 HydrophobicContact CG-CE1 3.98Å |
| 38 | I | 91.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -36.6 | 177.7 | -53.8 | 179.4 | 0 | 0 | 0 | 110.3 | S36 H64 E65 F260 I261 Y329 | S36-I38 PolarHBondContact O-N 2.88Å; I38-H64 HydrophobicContact CG1-CB 4.48Å; I38-E65 WeakPolarHBondContact O-CG 3.41Å; I38-E65 VanDerWaalsContact O-OE1 3.07Å; I38-F260 HydrophobicContact CD1-CD1 4.15Å; I38-F260 HydrophobicContact CD1-CE1 4.31Å; I38-F260 HydrophobicContact CG1-CD1 3.96Å; I38-F260 HydrophobicContact CG1-CE1 3.8Å; I38-I261 HydrophobicContact CD1-CD1 4.32Å; I38-I261 HydrophobicContact CD1-CG1 3.47Å; I38-I261 VanDerWaalsContact CD1-CG1 3.47Å; I38-Y329 HydrophobicContact CD1-CD2 3.34Å; I38-Y329 HydrophobicContact CD1-CE2 3.96Å; I38-Y329 HydrophobicContact CD1-CG 3.97Å; I38-Y329 HydrophobicContact CG1-CD2 3.99Å; I38-Y329 HydrophobicContact CG1-CE2 4.46Å; I38-Y329 HydrophobicContact CG1-CG 4.3Å |
| 39 | T | 92.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 2.1 | -167.5 | 59.3 | 0 | 0 | 0 | 0 | 115.6 | S36 W41 S158 T159 C160 | S36-T39 PolarHBondContact N-OG1 3.07Å; S36-T39 PolarHBondContact O-N 2.97Å; S36-T39 PolarHBondContact OG-N 2.93Å; S36-T39 PolarHBondContact OG-OG1 3.04Å; T39-W41 PolarHBondContact O-N 3.1Å; T39-S158 WeakPolarHBondContact CB-OG 3.49Å; T39-S158 WeakPolarHBondContact O-CA 3.47Å; T39-T159 WeakPolarHBondContact CA-OG1 3.31Å; T39-T159 WeakPolarHBondContact CB-OG1 3.45Å; T39-T159 PolarHBondContact O-N 2.91Å; T39-C160 HydrophobicContact CG2-CB 4.25Å |
| 40 | A | 94.1 | Very high | 93.2 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 10% | 0.099 | 17% | 0.171 | C | C | . | . | trans | -71.5 | 125.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V35 S36 K42 R43 V44 | V35-A40 HydrophobicContact CG1-CB 3.23Å; S36-A40 WeakPolarHBondContact O-CB 3.29Å; S36-A40 PolarHBondContact O-N 3.11Å; A40-K42 VanDerWaalsContact C-N 3.29Å; A40-K42 PolarHBondContact O-N 3.45Å; A40-R43 HydrophobicContact CB-CB 4.21Å; A40-R43 HydrophobicContact CB-CG 4.03Å; A40-R43 PolarHBondContact O-N 3.15Å; A40-R43 VanDerWaalsContact O-N 3.13Å; A40-V44 PolarHBondContact O-N 3.3Å | ||
| 41 | W | 94.9 | Very high | 93.3 | Very high | 27 Ų | 27 | 30.8 Ų | 30.8 | 10% | 0.102 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -38.7 | 174.2 | -173.2 | -117.8 | 0 | 0 | 0 | 113 | T39 R43 V44 I45 F73 V77 A80 F84 K157 | T39-W41 PolarHBondContact O-N 3.1Å; W41-R43 VanDerWaalsContact C-N 3.28Å; W41-R43 PolarHBondContact O-N 3.2Å; W41-V44 HydrophobicContact CE3-CB 4.05Å; W41-V44 HydrophobicContact CE3-CG1 4.2Å; W41-V44 HydrophobicContact CE3-CG2 4.39Å; W41-V44 HydrophobicContact CH2-CG1 4.35Å; W41-V44 HydrophobicContact CZ3-CB 4.15Å; W41-V44 HydrophobicContact CZ3-CG1 3.77Å; W41-V44 WeakPolarHBondContact O-CB 3.47Å; W41-V44 PolarHBondContact O-N 3.14Å; W41-V44 VanDerWaalsContact O-N 3.11Å; W41-I45 HydrophobicContact CG-CD1 4.41Å; W41-I45 HydrophobicContact CZ2-CG1 4.29Å; W41-I45 VanDerWaalsContact NE1-CD1 3.34Å; W41-I45 PolarHBondContact O-N 2.85Å; W41-F73 HydrophobicContact CH2-CB 4.2Å; W41-F73 AromaticContact CH2-CD1 3.35Å; W41-F73 HydrophobicContact CH2-CD1 3.35Å; W41-F73 HydrophobicContact CH2-CD2 4.35Å; W41-F73 AromaticContact CH2-CE1 3.67Å; W41-F73 HydrophobicContact CH2-CE1 3.67Å; W41-F73 AromaticContact CH2-CG 3.72Å; W41-F73 HydrophobicContact CH2-CG 3.72Å; W41-F73 HydrophobicContact CH2-CZ 4.3Å; W41-F73 HydrophobicContact CZ3-CB 4.43Å; W41-F73 AromaticContact CZ3-CD1 3.57Å; W41-F73 HydrophobicContact CZ3-CD1 3.57Å; W41-F73 AromaticContact CZ3-CD2 3.83Å; W41-F73 HydrophobicContact CZ3-CD2 3.83Å; W41-F73 AromaticContact CZ3-CE1 3.58Å; W41-F73 HydrophobicContact CZ3-CE1 3.58Å; W41-F73 AromaticContact CZ3-CE2 3.85Å; W41-F73 HydrophobicContact CZ3-CE2 3.85Å; W41-F73 AromaticContact CZ3-CG 3.68Å; W41-F73 HydrophobicContact CZ3-CG 3.68Å; W41-F73 AromaticContact CZ3-CZ 3.72Å; W41-F73 HydrophobicContact CZ3-CZ 3.72Å; W41-V77 HydrophobicContact CZ2-CG2 4.12Å; W41-A80 HydrophobicContact CH2-CB 3.75Å; W41-A80 HydrophobicContact CZ2-CB 3.48Å; W41-A80 VanDerWaalsContact CZ2-CB 3.48Å; W41-F84 HydrophobicContact CD2-CE2 4.39Å; W41-F84 AromaticContact CE3-CE2 3.86Å; W41-F84 HydrophobicContact CE3-CE2 3.86Å; W41-F84 AromaticContact CE3-CZ 3.86Å; W41-F84 HydrophobicContact CE3-CZ 3.86Å; W41-F84 AromaticContact CZ3-CE2 3.97Å; W41-F84 HydrophobicContact CZ3-CE2 3.97Å; W41-F84 HydrophobicContact CZ3-CZ 4.01Å; W41-K157 HydrophobicContact CB-CB 3.84Å; W41-K157 WeakPolarHBondContact CB-O 3.26Å; W41-K157 HydrophobicContact CD2-CB 3.95Å; W41-K157 HydrophobicContact CE3-CB 4.45Å; W41-K157 HydrophobicContact CG-CB 3.63Å; W41-K157 HydrophobicContact CG-CD 4.25Å |
| 42 | K | 93.3 | Very high | 93.2 | Very high | 115 Ų | 115 | 33.8 Ų | 33.8 | 50% | 0.5 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.7 | -40.8 | 176.6 | -67.2 | -174.5 | -179.8 | -176.9 | 0 | 111.9 | E30 A40 I45 E46 | E30-K42 IonicContact OE1-NZ 3.66Å; E30-K42 PolarHBondContact OE1-NZ 3.1Å; A40-K42 VanDerWaalsContact C-N 3.29Å; A40-K42 PolarHBondContact O-N 3.45Å; K42-I45 PolarHBondContact O-N 3.37Å; K42-E46 PolarHBondContact O-N 3.39Å |
| 43 | R | 93.8 | Very high | 93.3 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.7 | -34.1 | 177.6 | -69 | 177.9 | 174 | -135.1 | 14.8 | 111.9 | P37 A40 W41 E46 G47 V62 F63 H64 D266 | P37-R43 WeakPolarHBondContact O-CD 3.46Å; P37-R43 PolarHBondContact O-NH1 2.85Å; A40-R43 HydrophobicContact CB-CB 4.21Å; A40-R43 HydrophobicContact CB-CG 4.03Å; A40-R43 PolarHBondContact O-N 3.15Å; A40-R43 VanDerWaalsContact O-N 3.13Å; W41-R43 VanDerWaalsContact C-N 3.28Å; W41-R43 PolarHBondContact O-N 3.2Å; R43-E46 PolarHBondContact O-N 2.97Å; R43-G47 PolarHBondContact O-N 3.27Å; R43-V62 HydrophobicContact CB-CG1 4.4Å; R43-V62 VanDerWaalsContact CD-O 3.22Å; R43-V62 WeakPolarHBondContact CD-O 3.24Å; R43-V62 HydrophobicContact CG-CG1 4.13Å; R43-V62 PolarHBondContact NH1-O 2.94Å; R43-F63 WeakPolarHBondContact O-CD2 3.28Å; R43-H64 PolarHBondContact NH1-CD2 3.06Å; R43-H64 VanDerWaalsContact NH1-CD2 3.34Å; R43-D266 IonicContact CZ-OD2 2.78Å; R43-D266 IonicContact NH1-OD2 2.69Å; R43-D266 IonicContact NH2-OD2 2.87Å; R43-D266 PolarHBondContact NH2-OD2 3.47Å |
| 44 | V | 94.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 172.3 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | A40 W41 E46 G47 L48 F63 F73 T159 | A40-V44 PolarHBondContact O-N 3.3Å; W41-V44 HydrophobicContact CE3-CB 4.05Å; W41-V44 HydrophobicContact CE3-CG1 4.2Å; W41-V44 HydrophobicContact CE3-CG2 4.39Å; W41-V44 HydrophobicContact CH2-CG1 4.35Å; W41-V44 HydrophobicContact CZ3-CB 4.15Å; W41-V44 HydrophobicContact CZ3-CG1 3.77Å; W41-V44 WeakPolarHBondContact O-CB 3.47Å; W41-V44 PolarHBondContact O-N 3.14Å; W41-V44 VanDerWaalsContact O-N 3.11Å; V44-E46 VanDerWaalsContact C-N 3.33Å; V44-E46 PolarHBondContact O-N 3.26Å; V44-G47 PolarHBondContact O-N 2.91Å; V44-L48 HydrophobicContact CG1-CD1 4.23Å; V44-L48 WeakPolarHBondContact O-CG 3.41Å; V44-L48 PolarHBondContact O-N 3.41Å; V44-F63 HydrophobicContact CG2-CE2 4.26Å; V44-F73 HydrophobicContact CG1-CB 4.26Å; V44-F73 HydrophobicContact CG1-CD2 4.2Å; V44-F73 HydrophobicContact CG1-CG 4.44Å; V44-T159 HydrophobicContact CG2-CG2 3.94Å |
| 45 | I | 94.9 | Very high | 93 | Very high | 79 Ų | 79 | 44.9 Ų | 44.9 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 176 | -66.9 | 166.6 | 0 | 0 | 0 | 110.9 | W41 K42 L48 A49 | W41-I45 HydrophobicContact CG-CD1 4.41Å; W41-I45 HydrophobicContact CZ2-CG1 4.29Å; W41-I45 VanDerWaalsContact NE1-CD1 3.34Å; W41-I45 PolarHBondContact O-N 2.85Å; K42-I45 PolarHBondContact O-N 3.37Å; I45-L48 WeakPolarHBondContact O-CB 3.38Å; I45-L48 PolarHBondContact O-N 3.15Å; I45-A49 PolarHBondContact O-N 2.84Å |
| 46 | E | 93.6 | Very high | 92.9 | Very high | 96 Ų | 96 | 45.7 Ų | 45.7 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 178.8 | -169.5 | 170.5 | 170.9 | 0 | 0 | 111.8 | K42 R43 V44 L48 A49 L50 V62 | K42-E46 PolarHBondContact O-N 3.39Å; R43-E46 PolarHBondContact O-N 2.97Å; V44-E46 VanDerWaalsContact C-N 3.33Å; V44-E46 PolarHBondContact O-N 3.26Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 3.02Å; E46-A49 PolarHBondContact O-N 2.8Å; E46-L50 WeakPolarHBondContact O-CG 3.3Å; E46-L50 PolarHBondContact O-N 3.29Å; E46-V62 HydrophobicContact CB-CG1 4.07Å; E46-V62 HydrophobicContact CG-CG1 3.93Å; E46-V62 WeakPolarHBondContact OE2-CG1 3.28Å |
| 47 | G | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R43 V44 L50 L51 I70 | R43-G47 PolarHBondContact O-N 3.27Å; V44-G47 PolarHBondContact O-N 2.91Å; G47-L50 PolarHBondContact O-N 3.28Å; G47-L51 PolarHBondContact O-N 3.07Å; G47-I70 WeakPolarHBondContact O-CD1 3.3Å |
| 48 | L | 94 | Very high | 92.9 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 175 | -74.7 | 170 | 0 | 0 | 0 | 111.7 | V44 I45 E46 L50 L51 D52 I70 F73 H74 V77 | V44-L48 HydrophobicContact CG1-CD1 4.23Å; V44-L48 WeakPolarHBondContact O-CG 3.41Å; V44-L48 PolarHBondContact O-N 3.41Å; I45-L48 WeakPolarHBondContact O-CB 3.38Å; I45-L48 PolarHBondContact O-N 3.15Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 3.02Å; L48-L50 VanDerWaalsContact C-N 3.29Å; L48-L50 PolarHBondContact O-N 2.83Å; L48-L51 WeakPolarHBondContact O-CB 3.32Å; L48-L51 PolarHBondContact O-N 3.38Å; L48-L51 VanDerWaalsContact O-N 3.09Å; L48-D52 PolarHBondContact O-N 3.25Å; L48-I70 HydrophobicContact CD2-CG1 3.63Å; L48-I70 WeakPolarHBondContact CD2-O 3.33Å; L48-I70 HydrophobicContact CG-CG1 4.06Å; L48-F73 HydrophobicContact CD1-CB 4.07Å; L48-H74 HydrophobicContact CD2-CB 3.85Å; L48-V77 HydrophobicContact CD1-CB 4.32Å; L48-V77 HydrophobicContact CD1-CG2 4.17Å |
| 49 | A | 93.8 | Very high | 92.6 | Very high | 47 Ų | 47 | 49 Ų | 49 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I45 E46 L53 | I45-A49 PolarHBondContact O-N 2.84Å; E46-A49 PolarHBondContact O-N 2.8Å; A49-L53 VanDerWaalsContact O-CG 3.3Å; A49-L53 WeakPolarHBondContact O-CG 3.18Å; A49-L53 PolarHBondContact O-N 3.04Å |
| 50 | L | 93.1 | Very high | 92.1 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 172.6 | -69.3 | 174.9 | 0 | 0 | 0 | 111.6 | E46 G47 L48 D52 L53 G54 V55 | E46-L50 WeakPolarHBondContact O-CG 3.3Å; E46-L50 PolarHBondContact O-N 3.29Å; G47-L50 PolarHBondContact O-N 3.28Å; L48-L50 VanDerWaalsContact C-N 3.29Å; L48-L50 PolarHBondContact O-N 2.83Å; L50-D52 VanDerWaalsContact C-N 3.34Å; L50-D52 PolarHBondContact O-N 3.09Å; L50-L53 PolarHBondContact O-N 3.3Å; L50-G54 PolarHBondContact O-N 3.09Å; L50-V55 CarbonylContact C-O 3.59Å; L50-V55 VanDerWaalsContact C-O 3.28Å; L50-V55 HydrophobicContact CD2-CB 4.49Å; L50-V55 HydrophobicContact CD2-CG1 4.39Å; L50-V55 PolarHBondContact O-N 3.18Å |
| 51 | L | 92.1 | Very high | 91.5 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 17% | 0.173 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.6 | -168.8 | 66.4 | 0 | 0 | 0 | 111.6 | G47 L48 L53 G54 P57 I70 Y71 | G47-L51 PolarHBondContact O-N 3.07Å; L48-L51 WeakPolarHBondContact O-CB 3.32Å; L48-L51 PolarHBondContact O-N 3.38Å; L48-L51 VanDerWaalsContact O-N 3.09Å; L51-L53 PolarHBondContact O-N 2.68Å; L51-G54 PolarHBondContact O-N 3.08Å; L51-P57 HydrophobicContact CB-CG 4Å; L51-P57 HydrophobicContact CD1-CG 3.95Å; L51-P57 HydrophobicContact CG-CG 4.5Å; L51-I70 HydrophobicContact CD2-CG1 4.3Å; L51-Y71 HydrophobicContact CD2-CD1 4.49Å; L51-Y71 HydrophobicContact CD2-CE1 4.11Å |
| 52 | D | 92.6 | Very high | 91.1 | Very high | 112 Ų | 112 | 56 Ų | 56 | 60% | 0.599 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.8 | -30.3 | 178.7 | -69 | -18.6 | 0 | 0 | 0 | 112.4 | L48 L50 G54 H74 | L48-D52 PolarHBondContact O-N 3.25Å; L50-D52 VanDerWaalsContact C-N 3.34Å; L50-D52 PolarHBondContact O-N 3.09Å; D52-G54 PolarHBondContact O-N 2.87Å; D52-H74 IonicContact OD1-CD2 2.84Å; D52-H74 IonicContact OD1-NE2 3.62Å |
| 53 | L | 93.6 | Very high | 91 | Very high | 136 Ų | 136 | 50.6 Ų | 50.6 | 71% | 0.712 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 0.5 | 174 | -68.1 | 170.4 | 0 | 0 | 0 | 113.2 | A49 L50 L51 V55 | A49-L53 VanDerWaalsContact O-CG 3.3Å; A49-L53 WeakPolarHBondContact O-CG 3.18Å; A49-L53 PolarHBondContact O-N 3.04Å; L50-L53 PolarHBondContact O-N 3.3Å; L51-L53 PolarHBondContact O-N 2.68Å; L53-V55 HydrophobicContact CB-CG2 4.34Å; L53-V55 PolarHBondContact O-N 3.38Å |
| 54 | G | 90 | Very high | 90.9 | Very high | 72 Ų | 72 | 48.2 Ų | 48.2 | 74% | 0.742 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 16.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L50 L51 D52 | L50-G54 PolarHBondContact O-N 3.09Å; L51-G54 PolarHBondContact O-N 3.08Å; D52-G54 PolarHBondContact O-N 2.87Å |
| 55 | V | 91.3 | Very high | 90.9 | Very high | 62 Ų | 62 | 48.3 Ų | 48.3 | 38% | 0.376 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -98 | 140.7 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | L50 L53 P57 S59 | L50-V55 CarbonylContact C-O 3.59Å; L50-V55 VanDerWaalsContact C-O 3.28Å; L50-V55 HydrophobicContact CD2-CB 4.49Å; L50-V55 HydrophobicContact CD2-CG1 4.39Å; L50-V55 PolarHBondContact O-N 3.18Å; L53-V55 HydrophobicContact CB-CG2 4.34Å; L53-V55 PolarHBondContact O-N 3.38Å; V55-P57 WeakPolarHBondContact O-CD 3.34Å; V55-S59 VanDerWaalsContact CG1-OG 3.31Å; V55-S59 WeakPolarHBondContact CG1-OG 3.2Å |
| 56 | S | 89.9 | Confident | 90.8 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 25% | 0.245 | 28% | 0.278 | C | S | . | . | trans | -58.6 | 127.7 | 175.8 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | Y58 S59 | S56-Y58 PolarHBondContact O-N 2.89Å; S56-Y58 PolarHBondContact OG-N 3.28Å; S56-S59 WeakPolarHBondContact O-CB 3.35Å; S56-S59 PolarHBondContact O-N 3.46Å; S56-S59 PolarHBondContact O-OG 2.99Å | ||
| 57 | P | 91.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.6 | 175.2 | -27.4 | 36.1 | 0 | 0 | 0 | 113.4 | L51 V55 F63 I70 | L51-P57 HydrophobicContact CB-CG 4Å; L51-P57 HydrophobicContact CD1-CG 3.95Å; L51-P57 HydrophobicContact CG-CG 4.5Å; V55-P57 WeakPolarHBondContact O-CD 3.34Å; P57-F63 HydrophobicContact CB-CD1 3.76Å; P57-F63 HydrophobicContact CB-CE1 4.25Å; P57-F63 HydrophobicContact CB-CG 4.36Å; P57-F63 WeakPolarHBondContact O-CB 3.35Å; P57-I70 HydrophobicContact CB-CD1 3.61Å; P57-I70 HydrophobicContact CG-CD1 3.51Å |
| 58 | Y | 92.8 | Very high | 90.9 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 4.1 | -178.4 | -55.6 | -73.7 | 0 | 0 | 0 | 114.1 | S56 G60 F63 E65 T66 P67 L248 F253 V257 | S56-Y58 PolarHBondContact O-N 2.89Å; S56-Y58 PolarHBondContact OG-N 3.28Å; Y58-G60 PolarHBondContact O-N 3.42Å; Y58-F63 AromaticContact CD1-CD1 3.92Å; Y58-F63 HydrophobicContact CD1-CD1 3.92Å; Y58-F63 WeakPolarHBondContact CD1-O 3.39Å; Y58-F63 AromaticContact CE1-CD1 3.43Å; Y58-F63 HydrophobicContact CE1-CD1 3.43Å; Y58-F63 VanDerWaalsContact CE1-CD1 3.43Å; Y58-F63 AromaticContact CE1-CE1 3.62Å; Y58-F63 HydrophobicContact CE1-CE1 3.62Å; Y58-F63 HydrophobicContact CE2-CE1 4.39Å; Y58-F63 AromaticContact CZ-CD1 3.77Å; Y58-F63 AromaticContact CZ-CE1 3.55Å; Y58-F63 WeakPolarHBondContact OH-CE1 3.49Å; Y58-E65 WeakPolarHBondContact CE1-O 3.47Å; Y58-E65 PolarHBondContact OH-O 2.95Å; Y58-T66 VanDerWaalsContact OH-C 3.31Å; Y58-P67 HydrophobicContact CE2-CG 4.18Å; Y58-P67 WeakPolarHBondContact OH-CD 3.46Å; Y58-P67 WeakPolarHBondContact OH-CG 3.38Å; Y58-L248 HydrophobicContact CD2-CD2 3.41Å; Y58-L248 VanDerWaalsContact CD2-CD2 3.41Å; Y58-L248 HydrophobicContact CE2-CD1 4.05Å; Y58-L248 HydrophobicContact CE2-CD2 3.42Å; Y58-L248 VanDerWaalsContact CE2-CD2 3.42Å; Y58-L248 HydrophobicContact CE2-CG 4.39Å; Y58-F253 HydrophobicContact CD1-CB 4.42Å; Y58-F253 HydrophobicContact CD2-CB 3.81Å; Y58-F253 HydrophobicContact CE1-CB 4.02Å; Y58-F253 HydrophobicContact CE2-CB 3.37Å; Y58-F253 HydrophobicContact CG-CB 4.3Å; Y58-F253 VanDerWaalsContact CZ-CB 3.48Å; Y58-V257 HydrophobicContact CE1-CG2 3.78Å |
| 59 | S | 85 | Confident | 90.8 | Very high | 83 Ų | 83 | 42 Ų | 42 | 58% | 0.58 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -69.9 | -17.5 | 178.9 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | V55 S56 | V55-S59 VanDerWaalsContact CG1-OG 3.31Å; V55-S59 WeakPolarHBondContact CG1-OG 3.2Å; S56-S59 WeakPolarHBondContact O-CB 3.35Å; S56-S59 PolarHBondContact O-N 3.46Å; S56-S59 PolarHBondContact O-OG 2.99Å |
| 60 | G | 81.9 | Confident | 90.8 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -117 | 179.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y58 V62 | Y58-G60 PolarHBondContact O-N 3.42Å; G60-V62 VanDerWaalsContact C-N 3.33Å; G60-V62 PolarHBondContact O-N 3.4Å |
| 61 | D | 81.4 | Confident | 90.8 | Very high | 115 Ų | 115 | 40.5 Ų | 40.5 | 62% | 0.615 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -97.5 | 30.8 | -177.1 | -161.3 | 33.3 | 0 | 0 | 0 | 113.1 | H64 | D61-H64 PolarHBondContact O-NE2 3.37Å; D61-H64 IonicContact OD1-CE1 2.76Å; D61-H64 PolarHBondContact OD1-CE1 3.48Å; D61-H64 VanDerWaalsContact OD1-CE1 3.23Å; D61-H64 IonicContact OD1-NE2 2.72Å |
| 62 | V | 86.3 | Confident | 90.9 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -101.2 | -48 | -174.8 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | R43 E46 G60 | R43-V62 HydrophobicContact CB-CG1 4.4Å; R43-V62 VanDerWaalsContact CD-O 3.22Å; R43-V62 WeakPolarHBondContact CD-O 3.24Å; R43-V62 HydrophobicContact CG-CG1 4.13Å; R43-V62 PolarHBondContact NH1-O 2.94Å; E46-V62 HydrophobicContact CB-CG1 4.07Å; E46-V62 HydrophobicContact CG-CG1 3.93Å; E46-V62 WeakPolarHBondContact OE2-CG1 3.28Å; G60-V62 VanDerWaalsContact C-N 3.33Å; G60-V62 PolarHBondContact O-N 3.4Å |
| 63 | F | 91.4 | Very high | 91 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | trans | -102.7 | 118.4 | -169.1 | -177.5 | -105.4 | 0 | 0 | 0 | 111.8 | R43 V44 P57 Y58 E65 I70 | R43-F63 WeakPolarHBondContact O-CD2 3.28Å; V44-F63 HydrophobicContact CG2-CE2 4.26Å; P57-F63 HydrophobicContact CB-CD1 3.76Å; P57-F63 HydrophobicContact CB-CE1 4.25Å; P57-F63 HydrophobicContact CB-CG 4.36Å; P57-F63 WeakPolarHBondContact O-CB 3.35Å; Y58-F63 AromaticContact CD1-CD1 3.92Å; Y58-F63 HydrophobicContact CD1-CD1 3.92Å; Y58-F63 WeakPolarHBondContact CD1-O 3.39Å; Y58-F63 AromaticContact CE1-CD1 3.43Å; Y58-F63 HydrophobicContact CE1-CD1 3.43Å; Y58-F63 VanDerWaalsContact CE1-CD1 3.43Å; Y58-F63 AromaticContact CE1-CE1 3.62Å; Y58-F63 HydrophobicContact CE1-CE1 3.62Å; Y58-F63 HydrophobicContact CE2-CE1 4.39Å; Y58-F63 AromaticContact CZ-CD1 3.77Å; Y58-F63 AromaticContact CZ-CE1 3.55Å; Y58-F63 WeakPolarHBondContact OH-CE1 3.49Å; F63-E65 HydrophobicContact CD2-CB 4.37Å; F63-E65 HydrophobicContact CE1-CB 4.24Å; F63-E65 WeakPolarHBondContact CE1-O 3.4Å; F63-E65 HydrophobicContact CE2-CB 3.51Å; F63-E65 HydrophobicContact CE2-CG 4.49Å; F63-E65 HydrophobicContact CZ-CB 3.39Å; F63-I70 HydrophobicContact CD1-CD1 4.34Å; F63-I70 HydrophobicContact CE1-CB 4.11Å; F63-I70 HydrophobicContact CE1-CD1 3.88Å; F63-I70 HydrophobicContact CE1-CG2 4.25Å; F63-I70 HydrophobicContact CE2-CB 4.41Å; F63-I70 HydrophobicContact CE2-CD1 4.17Å; F63-I70 HydrophobicContact CZ-CB 3.65Å; F63-I70 HydrophobicContact CZ-CD1 3.84Å; F63-I70 HydrophobicContact CZ-CG1 4.25Å; F63-I70 HydrophobicContact CZ-CG2 4.23Å | ||
| 64 | H | 92.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | trans | -125.8 | 19.3 | -178.2 | -53.6 | -68.5 | 0 | 0 | 0 | 113.1 | I38 R43 D61 S256 F260 | I38-H64 HydrophobicContact CG1-CB 4.48Å; R43-H64 PolarHBondContact NH1-CD2 3.06Å; R43-H64 VanDerWaalsContact NH1-CD2 3.34Å; D61-H64 PolarHBondContact O-NE2 3.37Å; D61-H64 IonicContact OD1-CE1 2.76Å; D61-H64 PolarHBondContact OD1-CE1 3.48Å; D61-H64 VanDerWaalsContact OD1-CE1 3.23Å; D61-H64 IonicContact OD1-NE2 2.72Å; H64-S256 PolarHBondContact ND1-O 3.32Å; H64-F260 HydrophobicContact CB-CD1 3.94Å; H64-F260 HydrophobicContact CB-CE1 4.28Å; H64-F260 HydrophobicContact CB-CG 4.14Å; H64-F260 AromaticContact CD2-CD2 3.8Å; H64-F260 AromaticContact CD2-CE1 3.87Å; H64-F260 AromaticContact CD2-CE2 3.48Å; H64-F260 VanDerWaalsContact CD2-CE2 3.48Å; H64-F260 WeakPolarHBondContact CD2-CE2 3.44Å; H64-F260 AromaticContact CD2-CZ 3.52Å; H64-F260 AromaticContact CE1-CD2 3.21Å; H64-F260 WeakPolarHBondContact CE1-CD2 3.48Å; H64-F260 AromaticContact CE1-CE2 3.41Å; H64-F260 VanDerWaalsContact CE1-CE2 3.41Å; H64-F260 WeakPolarHBondContact CE1-CE2 3.29Å; H64-F260 AromaticContact CE1-CG 3.9Å; H64-F260 AromaticContact CG-CD1 3.77Å; H64-F260 AromaticContact CG-CD2 3.67Å; H64-F260 AromaticContact CG-CE1 3.96Å; H64-F260 AromaticContact CG-CE2 3.85Å; H64-F260 AromaticContact CG-CG 3.62Å; H64-F260 AromaticContact CG-CZ 3.99Å; H64-F260 AromaticContact ND1-CD2 3.3Å; H64-F260 VanDerWaalsContact ND1-CD2 3.3Å; H64-F260 WeakPolarHBondContact ND1-CD2 3.24Å; H64-F260 AromaticContact ND1-CE2 3.8Å; H64-F260 AromaticContact ND1-CG 3.48Å; H64-F260 WeakPolarHBondContact ND1-CG 3.32Å; H64-F260 AromaticContact NE2-CD2 3.54Å; H64-F260 AromaticContact NE2-CE2 3.19Å; H64-F260 WeakPolarHBondContact NE2-CE2 3.37Å; H64-F260 AromaticContact NE2-CZ 3.7Å | ||
| 65 | E | 92.8 | Very high | 91 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -91.5 | 165.5 | 173.3 | -87.8 | -71 | -177.6 | 0 | 0 | 111.9 | I38 Y58 F63 I69 T159 V257 | I38-E65 WeakPolarHBondContact O-CG 3.41Å; I38-E65 VanDerWaalsContact O-OE1 3.07Å; Y58-E65 WeakPolarHBondContact CE1-O 3.47Å; Y58-E65 PolarHBondContact OH-O 2.95Å; F63-E65 HydrophobicContact CD2-CB 4.37Å; F63-E65 HydrophobicContact CE1-CB 4.24Å; F63-E65 WeakPolarHBondContact CE1-O 3.4Å; F63-E65 HydrophobicContact CE2-CB 3.51Å; F63-E65 HydrophobicContact CE2-CG 4.49Å; F63-E65 HydrophobicContact CZ-CB 3.39Å; E65-I69 HydrophobicContact CB-CG2 4.34Å; E65-T159 HydrophobicContact CG-CG2 4.31Å; E65-T159 VanDerWaalsContact OE1-CB 3.29Å; E65-T159 WeakPolarHBondContact OE1-CB 3.18Å; E65-T159 PolarHBondContact OE1-OG1 3.04Å; E65-V257 VanDerWaalsContact O-CG2 3.25Å; E65-V257 WeakPolarHBondContact O-CG2 3.35Å |
| 66 | T | 94.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | trans | -72.9 | 151.6 | -176.1 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | Y58 L68 I69 I70 Y191 V257 | Y58-T66 VanDerWaalsContact OH-C 3.31Å; T66-L68 VanDerWaalsContact C-N 3.26Å; T66-L68 PolarHBondContact O-N 3.26Å; T66-I69 WeakPolarHBondContact O-CB 3.33Å; T66-I69 PolarHBondContact O-N 2.92Å; T66-I69 VanDerWaalsContact OG1-CG1 3.27Å; T66-I69 WeakPolarHBondContact OG1-CG1 3.46Å; T66-I70 PolarHBondContact O-N 3.37Å; T66-Y191 HydrophobicContact CG2-CD1 3.91Å; T66-Y191 HydrophobicContact CG2-CE1 3.63Å; T66-Y191 WeakPolarHBondContact CG2-O 3.3Å; T66-V257 HydrophobicContact CG2-CG1 4.22Å | ||
| 67 | P | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -50.1 | -41.9 | 173.5 | -36.7 | 41.6 | 0 | 0 | 0 | 114.5 | Y58 I69 I70 Y71 Y191 L248 F253 | Y58-P67 HydrophobicContact CE2-CG 4.18Å; Y58-P67 WeakPolarHBondContact OH-CD 3.46Å; Y58-P67 WeakPolarHBondContact OH-CG 3.38Å; P67-I69 VanDerWaalsContact C-N 3.28Å; P67-I69 PolarHBondContact O-N 2.94Å; P67-I70 WeakPolarHBondContact O-CG2 3.42Å; P67-I70 PolarHBondContact O-N 3Å; P67-Y71 VanDerWaalsContact O-CD2 3.3Å; P67-Y71 WeakPolarHBondContact O-CD2 3.36Å; P67-Y71 PolarHBondContact O-N 3.37Å; P67-Y191 WeakPolarHBondContact CD-OH 3.5Å; P67-L248 HydrophobicContact CB-CD1 3.38Å; P67-L248 HydrophobicContact CG-CD1 3.52Å; P67-F253 HydrophobicContact CG-CB 3.62Å; P67-F253 HydrophobicContact CG-CD1 4.03Å; P67-F253 HydrophobicContact CG-CD2 3.73Å; P67-F253 HydrophobicContact CG-CE2 4.38Å; P67-F253 HydrophobicContact CG-CG 3.52Å |
| 68 | L | 93.7 | Very high | 91.5 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -33 | 179.5 | -66 | -177.4 | 0 | 0 | 0 | 112.8 | T66 L72 Y191 I240 L243 L247 | T66-L68 VanDerWaalsContact C-N 3.26Å; T66-L68 PolarHBondContact O-N 3.26Å; L68-L72 WeakPolarHBondContact O-CB 3.34Å; L68-L72 PolarHBondContact O-N 2.9Å; L68-Y191 HydrophobicContact CB-CE1 3.99Å; L68-Y191 HydrophobicContact CD1-CD1 4.23Å; L68-Y191 HydrophobicContact CD1-CE1 3.69Å; L68-Y191 HydrophobicContact CG-CE1 3.78Å; L68-Y191 PolarHBondContact N-OH 3.42Å; L68-I240 HydrophobicContact CD1-CG2 3.77Å; L68-L243 HydrophobicContact CD2-CD2 3.96Å; L68-L243 HydrophobicContact CD2-CG 4.41Å; L68-L247 HydrophobicContact CD2-CD1 3.87Å |
| 69 | I | 93.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.1 | -44.9 | 178.7 | -70.7 | -69.1 | 0 | 0 | 0 | 110.7 | E65 T66 P67 L72 F73 T159 L162 | E65-I69 HydrophobicContact CB-CG2 4.34Å; T66-I69 WeakPolarHBondContact O-CB 3.33Å; T66-I69 PolarHBondContact O-N 2.92Å; T66-I69 VanDerWaalsContact OG1-CG1 3.27Å; T66-I69 WeakPolarHBondContact OG1-CG1 3.46Å; P67-I69 VanDerWaalsContact C-N 3.28Å; P67-I69 PolarHBondContact O-N 2.94Å; I69-L72 WeakPolarHBondContact O-CB 3.41Å; I69-L72 PolarHBondContact O-N 3.34Å; I69-F73 HydrophobicContact CG2-CD2 3.86Å; I69-F73 HydrophobicContact CG2-CE2 4.05Å; I69-F73 VanDerWaalsContact O-CD2 3.32Å; I69-F73 WeakPolarHBondContact O-CD2 3.43Å; I69-F73 PolarHBondContact O-N 3.1Å; I69-T159 HydrophobicContact CG2-CG2 4.24Å; I69-L162 HydrophobicContact CD1-CD1 3.75Å |
| 70 | I | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 178.1 | -169.6 | 158.3 | 0 | 0 | 0 | 111.4 | G47 L48 L51 P57 F63 T66 P67 L72 F73 H74 | G47-I70 WeakPolarHBondContact O-CD1 3.3Å; L48-I70 HydrophobicContact CD2-CG1 3.63Å; L48-I70 WeakPolarHBondContact CD2-O 3.33Å; L48-I70 HydrophobicContact CG-CG1 4.06Å; L51-I70 HydrophobicContact CD2-CG1 4.3Å; P57-I70 HydrophobicContact CB-CD1 3.61Å; P57-I70 HydrophobicContact CG-CD1 3.51Å; F63-I70 HydrophobicContact CD1-CD1 4.34Å; F63-I70 HydrophobicContact CE1-CB 4.11Å; F63-I70 HydrophobicContact CE1-CD1 3.88Å; F63-I70 HydrophobicContact CE1-CG2 4.25Å; F63-I70 HydrophobicContact CE2-CB 4.41Å; F63-I70 HydrophobicContact CE2-CD1 4.17Å; F63-I70 HydrophobicContact CZ-CB 3.65Å; F63-I70 HydrophobicContact CZ-CD1 3.84Å; F63-I70 HydrophobicContact CZ-CG1 4.25Å; F63-I70 HydrophobicContact CZ-CG2 4.23Å; T66-I70 PolarHBondContact O-N 3.37Å; P67-I70 WeakPolarHBondContact O-CG2 3.42Å; P67-I70 PolarHBondContact O-N 3Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 2.95Å; I70-F73 PolarHBondContact O-N 3.43Å; I70-H74 PolarHBondContact O-N 3.22Å |
| 71 | Y | 93 | Very high | 92.4 | Very high | 58 Ų | 58 | 49.9 Ų | 49.9 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.1 | -32.3 | 176.7 | -83.9 | -74.2 | 0 | 0 | 0 | 113 | L51 P67 F75 L247 L248 | L51-Y71 HydrophobicContact CD2-CD1 4.49Å; L51-Y71 HydrophobicContact CD2-CE1 4.11Å; P67-Y71 VanDerWaalsContact O-CD2 3.3Å; P67-Y71 WeakPolarHBondContact O-CD2 3.36Å; P67-Y71 PolarHBondContact O-N 3.37Å; Y71-F75 WeakPolarHBondContact O-CD2 3.34Å; Y71-F75 WeakPolarHBondContact O-CE2 3.39Å; Y71-L247 HydrophobicContact CD2-CB 3.98Å; Y71-L247 HydrophobicContact CD2-CD1 4.12Å; Y71-L247 HydrophobicContact CD2-CG 4.48Å; Y71-L247 HydrophobicContact CE2-CB 3.64Å; Y71-L247 HydrophobicContact CG-CD1 4.44Å; Y71-L247 PolarHBondContact OH-O 3.24Å; Y71-L248 HydrophobicContact CE2-CD1 4.02Å; Y71-L248 HydrophobicContact CE2-CG 4.49Å |
| 72 | L | 93.6 | Very high | 93.1 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 37% | 0.372 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 171.3 | 176.6 | 68.4 | 0 | 0 | 0 | 110.8 | L68 I69 I70 F75 L76 L162 | L68-L72 WeakPolarHBondContact O-CB 3.34Å; L68-L72 PolarHBondContact O-N 2.9Å; I69-L72 WeakPolarHBondContact O-CB 3.41Å; I69-L72 PolarHBondContact O-N 3.34Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 2.95Å; L72-F75 PolarHBondContact O-N 3.43Å; L72-L76 HydrophobicContact CD1-CD1 3.58Å; L72-L76 HydrophobicContact CD1-CG 4.45Å; L72-L76 HydrophobicContact CG-CD1 3.95Å; L72-L76 PolarHBondContact O-N 2.84Å; L72-L162 HydrophobicContact CD2-CD1 4.42Å |
| 73 | F | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.8 | -19.2 | -178.7 | -78.2 | -66.9 | 0 | 0 | 0 | 114.1 | W41 V44 L48 I69 I70 F75 L76 V77 A80 T83 F84 L162 | W41-F73 HydrophobicContact CH2-CB 4.2Å; W41-F73 AromaticContact CH2-CD1 3.35Å; W41-F73 HydrophobicContact CH2-CD1 3.35Å; W41-F73 HydrophobicContact CH2-CD2 4.35Å; W41-F73 AromaticContact CH2-CE1 3.67Å; W41-F73 HydrophobicContact CH2-CE1 3.67Å; W41-F73 AromaticContact CH2-CG 3.72Å; W41-F73 HydrophobicContact CH2-CG 3.72Å; W41-F73 HydrophobicContact CH2-CZ 4.3Å; W41-F73 HydrophobicContact CZ3-CB 4.43Å; W41-F73 AromaticContact CZ3-CD1 3.57Å; W41-F73 HydrophobicContact CZ3-CD1 3.57Å; W41-F73 AromaticContact CZ3-CD2 3.83Å; W41-F73 HydrophobicContact CZ3-CD2 3.83Å; W41-F73 AromaticContact CZ3-CE1 3.58Å; W41-F73 HydrophobicContact CZ3-CE1 3.58Å; W41-F73 AromaticContact CZ3-CE2 3.85Å; W41-F73 HydrophobicContact CZ3-CE2 3.85Å; W41-F73 AromaticContact CZ3-CG 3.68Å; W41-F73 HydrophobicContact CZ3-CG 3.68Å; W41-F73 AromaticContact CZ3-CZ 3.72Å; W41-F73 HydrophobicContact CZ3-CZ 3.72Å; V44-F73 HydrophobicContact CG1-CB 4.26Å; V44-F73 HydrophobicContact CG1-CD2 4.2Å; V44-F73 HydrophobicContact CG1-CG 4.44Å; L48-F73 HydrophobicContact CD1-CB 4.07Å; I69-F73 HydrophobicContact CG2-CD2 3.86Å; I69-F73 HydrophobicContact CG2-CE2 4.05Å; I69-F73 VanDerWaalsContact O-CD2 3.32Å; I69-F73 WeakPolarHBondContact O-CD2 3.43Å; I69-F73 PolarHBondContact O-N 3.1Å; I70-F73 PolarHBondContact O-N 3.43Å; F73-F75 PolarHBondContact O-N 3.39Å; F73-F75 VanDerWaalsContact O-N 3.14Å; F73-L76 HydrophobicContact CD1-CB 4.21Å; F73-L76 PolarHBondContact O-N 2.91Å; F73-L76 VanDerWaalsContact O-N 3.14Å; F73-V77 WeakPolarHBondContact O-CA 3.42Å; F73-V77 VanDerWaalsContact O-CB 3.25Å; F73-V77 WeakPolarHBondContact O-CB 3.45Å; F73-V77 PolarHBondContact O-N 2.96Å; F73-A80 HydrophobicContact CE1-CB 4.4Å; F73-T83 HydrophobicContact CE1-CG2 4.11Å; F73-T83 HydrophobicContact CZ-CG2 4.3Å; F73-F84 HydrophobicContact CE1-CE2 4.03Å; F73-F84 HydrophobicContact CE1-CZ 4.06Å; F73-F84 HydrophobicContact CE2-CZ 4.1Å; F73-F84 HydrophobicContact CZ-CE1 4.01Å; F73-F84 AromaticContact CZ-CE2 3.81Å; F73-F84 HydrophobicContact CZ-CE2 3.81Å; F73-F84 AromaticContact CZ-CZ 3.36Å; F73-F84 HydrophobicContact CZ-CZ 3.36Å; F73-L162 HydrophobicContact CE2-CD1 3.54Å; F73-L162 HydrophobicContact CZ-CD1 3.69Å |
| 74 | H | 92.4 | Very high | 93.8 | Very high | 80 Ų | 80 | 48.4 Ų | 48.4 | 37% | 0.37 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.3 | -30.5 | 167.4 | -178.9 | -88.9 | 0 | 0 | 0 | 111.8 | L48 D52 I70 | L48-H74 HydrophobicContact CD2-CB 3.85Å; D52-H74 IonicContact OD1-CD2 2.84Å; D52-H74 IonicContact OD1-NE2 3.62Å; I70-H74 PolarHBondContact O-N 3.22Å |
| 75 | F | 92.7 | Very high | 94 | Very high | 154 Ų | 154 | 49.3 Ų | 49.3 | 68% | 0.675 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -96.6 | -23.4 | 174.4 | -58.2 | -73.1 | 0 | 0 | 0 | 114.6 | Y71 L72 F73 | Y71-F75 WeakPolarHBondContact O-CD2 3.34Å; Y71-F75 WeakPolarHBondContact O-CE2 3.39Å; L72-F75 PolarHBondContact O-N 3.43Å; F73-F75 PolarHBondContact O-N 3.39Å; F73-F75 VanDerWaalsContact O-N 3.14Å |
| 76 | L | 94.8 | Very high | 94.2 | Very high | 54 Ų | 54 | 53.8 Ų | 53.8 | 28% | 0.283 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -112 | 4.5 | -170.2 | -64.1 | -177.9 | 0 | 0 | 0 | 114.3 | L72 F73 D78 Y79 A80 T83 | L72-L76 HydrophobicContact CD1-CD1 3.58Å; L72-L76 HydrophobicContact CD1-CG 4.45Å; L72-L76 HydrophobicContact CG-CD1 3.95Å; L72-L76 PolarHBondContact O-N 2.84Å; F73-L76 HydrophobicContact CD1-CB 4.21Å; F73-L76 PolarHBondContact O-N 2.91Å; F73-L76 VanDerWaalsContact O-N 3.14Å; L76-D78 VanDerWaalsContact C-N 3.3Å; L76-D78 PolarHBondContact O-N 3.29Å; L76-Y79 CarbonylContact O-C 3.17Å; L76-Y79 VanDerWaalsContact O-C 3.29Å; L76-Y79 WeakPolarHBondContact O-CA 3.35Å; L76-Y79 PolarHBondContact O-N 3.46Å; L76-A80 PolarHBondContact O-N 3.08Å; L76-T83 HydrophobicContact CD1-CG2 4.2Å |
| 77 | V | 93.9 | Very high | 94.3 | Very high | 54 Ų | 54 | 53.9 Ų | 53.9 | 33% | 0.327 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -55.1 | -44.2 | -175.9 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | W41 L48 F73 Y79 A80 | W41-V77 HydrophobicContact CZ2-CG2 4.12Å; L48-V77 HydrophobicContact CD1-CB 4.32Å; L48-V77 HydrophobicContact CD1-CG2 4.17Å; F73-V77 WeakPolarHBondContact O-CA 3.42Å; F73-V77 VanDerWaalsContact O-CB 3.25Å; F73-V77 WeakPolarHBondContact O-CB 3.45Å; F73-V77 PolarHBondContact O-N 2.96Å; V77-Y79 PolarHBondContact O-N 3.08Å; V77-A80 VanDerWaalsContact O-CB 3.3Å; V77-A80 WeakPolarHBondContact O-CB 3.47Å; V77-A80 PolarHBondContact O-N 3.08Å |
| 78 | D | 92.8 | Very high | 94.5 | Very high | 143 Ų | 143 | 54 Ų | 54 | 77% | 0.765 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -66.2 | -23.6 | 178.9 | -64 | -32.2 | 0 | 0 | 0 | 112.9 | L76 | L76-D78 VanDerWaalsContact C-N 3.3Å; L76-D78 PolarHBondContact O-N 3.29Å |
| 79 | Y | 93.9 | Very high | 94.7 | Very high | 145 Ų | 145 | 53.4 Ų | 53.4 | 57% | 0.569 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -108 | 15.9 | -179.3 | -57.7 | -75.8 | 0 | 0 | 0 | 112.6 | L76 V77 E81 I82 T83 | L76-Y79 CarbonylContact O-C 3.17Å; L76-Y79 VanDerWaalsContact O-C 3.29Å; L76-Y79 WeakPolarHBondContact O-CA 3.35Å; L76-Y79 PolarHBondContact O-N 3.46Å; V77-Y79 PolarHBondContact O-N 3.08Å; Y79-E81 VanDerWaalsContact C-N 3.26Å; Y79-E81 PolarHBondContact O-N 2.97Å; Y79-E81 VanDerWaalsContact O-N 3.14Å; Y79-I82 HydrophobicContact CD1-CD1 4.31Å; Y79-I82 PolarHBondContact O-N 3.23Å; Y79-T83 PolarHBondContact O-N 3.31Å; Y79-T83 PolarHBondContact O-OG1 2.88Å |
| 80 | A | 92.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.7 | -42.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W41 F73 L76 V77 I82 T83 F84 | W41-A80 HydrophobicContact CH2-CB 3.75Å; W41-A80 HydrophobicContact CZ2-CB 3.48Å; W41-A80 VanDerWaalsContact CZ2-CB 3.48Å; F73-A80 HydrophobicContact CE1-CB 4.4Å; L76-A80 PolarHBondContact O-N 3.08Å; V77-A80 VanDerWaalsContact O-CB 3.3Å; V77-A80 WeakPolarHBondContact O-CB 3.47Å; V77-A80 PolarHBondContact O-N 3.08Å; A80-I82 VanDerWaalsContact C-N 3.33Å; A80-I82 PolarHBondContact O-N 2.77Å; A80-T83 WeakPolarHBondContact O-CB 3.47Å; A80-T83 PolarHBondContact O-N 3.42Å; A80-T83 VanDerWaalsContact O-N 3.16Å; A80-F84 HydrophobicContact CB-CD2 4.5Å; A80-F84 HydrophobicContact CB-CE2 4.25Å; A80-F84 WeakPolarHBondContact O-CD2 3.23Å; A80-F84 PolarHBondContact O-N 3.38Å |
| 81 | E | 93.6 | Very high | 95.1 | Very high | 74 Ų | 74 | 56.2 Ų | 56.2 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 178.1 | -69.8 | 176.5 | -165.2 | 0 | 0 | 112.7 | Y79 M85 K157 | Y79-E81 VanDerWaalsContact C-N 3.26Å; Y79-E81 PolarHBondContact O-N 2.97Å; Y79-E81 VanDerWaalsContact O-N 3.14Å; E81-M85 HydrophobicContact CB-CE 4.22Å; E81-M85 VanDerWaalsContact O-CE 3.25Å; E81-M85 WeakPolarHBondContact O-CE 3.2Å; E81-M85 WeakPolarHBondContact O-CG 3.34Å; E81-M85 PolarHBondContact O-N 3.31Å; E81-M85 VanDerWaalsContact O-N 3.12Å; E81-K157 HydrophobicContact CG-CD 4.41Å; E81-K157 IonicContact OE1-NZ 3.94Å; E81-K157 PolarHBondContact OE1-NZ 2.86Å |
| 82 | I | 94.9 | Very high | 95.3 | Very high | 102 Ų | 102 | 53.5 Ų | 53.5 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 178.7 | -58.5 | 176.6 | 0 | 0 | 0 | 109.6 | Y79 A80 F84 M85 L86 | Y79-I82 HydrophobicContact CD1-CD1 4.31Å; Y79-I82 PolarHBondContact O-N 3.23Å; A80-I82 VanDerWaalsContact C-N 3.33Å; A80-I82 PolarHBondContact O-N 2.77Å; I82-F84 PolarHBondContact O-N 3.04Å; I82-M85 HydrophobicContact CG1-CE 4.48Å; I82-M85 PolarHBondContact O-N 3Å; I82-L86 VanDerWaalsContact O-CB 3.23Å; I82-L86 WeakPolarHBondContact O-CB 3.43Å; I82-L86 PolarHBondContact O-N 3.44Å |
| 83 | T | 96 | Very high | 95.5 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 12% | 0.117 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | F73 L76 Y79 A80 L86 A87 L162 | F73-T83 HydrophobicContact CE1-CG2 4.11Å; F73-T83 HydrophobicContact CZ-CG2 4.3Å; L76-T83 HydrophobicContact CD1-CG2 4.2Å; Y79-T83 PolarHBondContact O-N 3.31Å; Y79-T83 PolarHBondContact O-OG1 2.88Å; A80-T83 WeakPolarHBondContact O-CB 3.47Å; A80-T83 PolarHBondContact O-N 3.42Å; A80-T83 VanDerWaalsContact O-N 3.16Å; T83-L86 PolarHBondContact O-N 2.95Å; T83-A87 WeakPolarHBondContact O-CB 3.34Å; T83-A87 PolarHBondContact O-N 2.92Å; T83-L162 HydrophobicContact CG2-CD2 4.35Å |
| 84 | F | 96.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.5 | -39.8 | 178.5 | -70 | -67.7 | 0 | 0 | 0 | 112.6 | W41 F73 A80 I82 L86 A87 D88 K157 S158 L162 | W41-F84 HydrophobicContact CD2-CE2 4.39Å; W41-F84 AromaticContact CE3-CE2 3.86Å; W41-F84 HydrophobicContact CE3-CE2 3.86Å; W41-F84 AromaticContact CE3-CZ 3.86Å; W41-F84 HydrophobicContact CE3-CZ 3.86Å; W41-F84 AromaticContact CZ3-CE2 3.97Å; W41-F84 HydrophobicContact CZ3-CE2 3.97Å; W41-F84 HydrophobicContact CZ3-CZ 4.01Å; F73-F84 HydrophobicContact CE1-CE2 4.03Å; F73-F84 HydrophobicContact CE1-CZ 4.06Å; F73-F84 HydrophobicContact CE2-CZ 4.1Å; F73-F84 HydrophobicContact CZ-CE1 4.01Å; F73-F84 AromaticContact CZ-CE2 3.81Å; F73-F84 HydrophobicContact CZ-CE2 3.81Å; F73-F84 AromaticContact CZ-CZ 3.36Å; F73-F84 HydrophobicContact CZ-CZ 3.36Å; A80-F84 HydrophobicContact CB-CD2 4.5Å; A80-F84 HydrophobicContact CB-CE2 4.25Å; A80-F84 WeakPolarHBondContact O-CD2 3.23Å; A80-F84 PolarHBondContact O-N 3.38Å; I82-F84 PolarHBondContact O-N 3.04Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 3.28Å; F84-A87 WeakPolarHBondContact O-CB 3.35Å; F84-A87 PolarHBondContact O-N 3.42Å; F84-D88 PolarHBondContact O-N 3.33Å; F84-D88 VanDerWaalsContact O-N 3.1Å; F84-K157 HydrophobicContact CD2-CB 3.64Å; F84-K157 HydrophobicContact CD2-CG 3.94Å; F84-K157 HydrophobicContact CE2-CB 3.48Å; F84-K157 VanDerWaalsContact CE2-CB 3.48Å; F84-K157 HydrophobicContact CE2-CG 4.19Å; F84-K157 WeakPolarHBondContact CE2-O 3.38Å; F84-K157 HydrophobicContact CZ-CB 4.22Å; F84-K157 WeakPolarHBondContact CZ-O 3.26Å; F84-S158 VanDerWaalsContact CE1-O 3.24Å; F84-S158 WeakPolarHBondContact CE1-O 3.39Å; F84-L162 HydrophobicContact CD1-CG 4.48Å; F84-L162 HydrophobicContact CE1-CD1 4.23Å; F84-L162 HydrophobicContact CE1-CG 4.14Å |
| 85 | M | 97.1 | Very high | 96 | Very high | 22 Ų | 22 | 49 Ų | 49 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 173.5 | -73 | -173.5 | -78.6 | 0 | 0 | 111.7 | V13 R16 A17 E81 I82 D88 V89 | V13-M85 HydrophobicContact CG1-SD 4.23Å; R16-M85 HydrophobicContact CB-CG 3.99Å; R16-M85 HydrophobicContact CB-SD 3.94Å; A17-M85 HydrophobicContact CB-SD 4.1Å; E81-M85 HydrophobicContact CB-CE 4.22Å; E81-M85 VanDerWaalsContact O-CE 3.25Å; E81-M85 WeakPolarHBondContact O-CE 3.2Å; E81-M85 WeakPolarHBondContact O-CG 3.34Å; E81-M85 PolarHBondContact O-N 3.31Å; E81-M85 VanDerWaalsContact O-N 3.12Å; I82-M85 HydrophobicContact CG1-CE 4.48Å; I82-M85 PolarHBondContact O-N 3Å; M85-D88 PolarHBondContact O-N 2.88Å; M85-V89 WeakPolarHBondContact O-CG2 3.43Å; M85-V89 PolarHBondContact O-N 3.35Å; M85-V89 VanDerWaalsContact O-N 3.08Å |
| 86 | L | 97 | Very high | 96.2 | Very high | 97 Ų | 97 | 43.7 Ų | 43.7 | 51% | 0.508 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 176 | -176.3 | 64.9 | 0 | 0 | 0 | 111.4 | I82 T83 F84 D88 V89 I90 | I82-L86 VanDerWaalsContact O-CB 3.23Å; I82-L86 WeakPolarHBondContact O-CB 3.43Å; I82-L86 PolarHBondContact O-N 3.44Å; T83-L86 PolarHBondContact O-N 2.95Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 3.28Å; L86-D88 VanDerWaalsContact C-N 3.33Å; L86-D88 PolarHBondContact O-N 3.42Å; L86-V89 PolarHBondContact O-N 2.89Å; L86-I90 HydrophobicContact CG-CD1 3.96Å; L86-I90 HydrophobicContact CG-CG1 4.4Å; L86-I90 WeakPolarHBondContact O-CB 3.49Å; L86-I90 VanDerWaalsContact O-CG1 3.26Å; L86-I90 WeakPolarHBondContact O-CG1 3.47Å; L86-I90 PolarHBondContact O-N 3.25Å |
| 87 | A | 97.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | T83 F84 I90 T91 L162 A165 | T83-A87 WeakPolarHBondContact O-CB 3.34Å; T83-A87 PolarHBondContact O-N 2.92Å; F84-A87 WeakPolarHBondContact O-CB 3.35Å; F84-A87 PolarHBondContact O-N 3.42Å; A87-I90 PolarHBondContact O-N 3.37Å; A87-T91 WeakPolarHBondContact O-CB 3.37Å; A87-T91 PolarHBondContact O-N 2.92Å; A87-T91 PolarHBondContact O-OG1 3.4Å; A87-L162 HydrophobicContact CB-CD2 3.8Å; A87-A165 HydrophobicContact CB-CB 4.24Å |
| 88 | D | 97.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 174.8 | -86.9 | 12.3 | 0 | 0 | 0 | 112.1 | R16 F84 M85 L86 T91 A92 Y144 C154 | R16-D88 IonicContact CZ-OD2 3.98Å; R16-D88 IonicContact NE-OD2 3.8Å; R16-D88 PolarHBondContact NE-OD2 3.38Å; R16-D88 IonicContact NH2-OD2 3.18Å; R16-D88 PolarHBondContact NH2-OD2 3.01Å; F84-D88 PolarHBondContact O-N 3.33Å; F84-D88 VanDerWaalsContact O-N 3.1Å; M85-D88 PolarHBondContact O-N 2.88Å; L86-D88 VanDerWaalsContact C-N 3.33Å; L86-D88 PolarHBondContact O-N 3.42Å; D88-T91 PolarHBondContact O-N 3.36Å; D88-A92 WeakPolarHBondContact O-CB 3.19Å; D88-A92 PolarHBondContact O-N 3.14Å; D88-Y144 HydrophobicContact CB-CE1 4.36Å; D88-Y144 PolarHBondContact OD1-OH 3.19Å; D88-C154 WeakPolarHBondContact OD2-CB 3.39Å |
| 89 | V | 97.6 | Very high | 96.6 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 19% | 0.188 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 175.2 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | L9 V13 M85 L86 T91 A92 V93 | L9-V89 HydrophobicContact CD1-CG1 4.48Å; L9-V89 HydrophobicContact CD2-CB 4.49Å; L9-V89 HydrophobicContact CD2-CG1 4.06Å; L9-V89 HydrophobicContact CD2-CG2 4.24Å; V13-V89 HydrophobicContact CG2-CG2 3.7Å; M85-V89 WeakPolarHBondContact O-CG2 3.43Å; M85-V89 PolarHBondContact O-N 3.35Å; M85-V89 VanDerWaalsContact O-N 3.08Å; L86-V89 PolarHBondContact O-N 2.89Å; V89-T91 VanDerWaalsContact C-N 3.28Å; V89-T91 PolarHBondContact O-N 3.45Å; V89-A92 PolarHBondContact O-N 3.36Å; V89-V93 HydrophobicContact CG1-CG2 4.27Å; V89-V93 WeakPolarHBondContact O-CB 3.42Å; V89-V93 VanDerWaalsContact O-CG2 3.27Å; V89-V93 WeakPolarHBondContact O-CG2 3.4Å; V89-V93 PolarHBondContact O-N 3Å |
| 90 | I | 98.2 | Very high | 96.7 | Very high | 65 Ų | 65 | 32.5 Ų | 32.5 | 33% | 0.333 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.3 | -46.3 | 175.3 | -71.4 | 166.6 | 0 | 0 | 0 | 109.4 | L86 A87 A92 V93 A94 A165 L169 | L86-I90 HydrophobicContact CG-CD1 3.96Å; L86-I90 HydrophobicContact CG-CG1 4.4Å; L86-I90 WeakPolarHBondContact O-CB 3.49Å; L86-I90 VanDerWaalsContact O-CG1 3.26Å; L86-I90 WeakPolarHBondContact O-CG1 3.47Å; L86-I90 PolarHBondContact O-N 3.25Å; A87-I90 PolarHBondContact O-N 3.37Å; I90-A92 PolarHBondContact O-N 3.3Å; I90-V93 PolarHBondContact O-N 3.44Å; I90-A94 WeakPolarHBondContact O-CB 3.39Å; I90-A94 PolarHBondContact O-N 3.38Å; I90-A165 HydrophobicContact CG2-CB 4.24Å; I90-L169 HydrophobicContact CG2-CD1 4.03Å; I90-L169 HydrophobicContact CG2-CD2 4.18Å; I90-L169 HydrophobicContact CG2-CG 4.11Å |
| 91 | T | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58 | -52.3 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | A87 D88 V89 V93 A94 L95 Y144 A165 S168 L337 | A87-T91 WeakPolarHBondContact O-CB 3.37Å; A87-T91 PolarHBondContact O-N 2.92Å; A87-T91 PolarHBondContact O-OG1 3.4Å; D88-T91 PolarHBondContact O-N 3.36Å; V89-T91 VanDerWaalsContact C-N 3.28Å; V89-T91 PolarHBondContact O-N 3.45Å; T91-V93 PolarHBondContact O-N 3.13Å; T91-A94 PolarHBondContact O-N 2.99Å; T91-L95 HydrophobicContact CG2-CD1 4.11Å; T91-L95 HydrophobicContact CG2-CG 4.48Å; T91-L95 WeakPolarHBondContact O-CB 3.43Å; T91-L95 VanDerWaalsContact O-CG 3.32Å; T91-L95 WeakPolarHBondContact O-CG 3.41Å; T91-L95 PolarHBondContact O-N 3.48Å; T91-Y144 HydrophobicContact CG2-CD1 4.11Å; T91-Y144 HydrophobicContact CG2-CD2 4.12Å; T91-Y144 HydrophobicContact CG2-CE1 3.54Å; T91-Y144 HydrophobicContact CG2-CE2 3.54Å; T91-Y144 HydrophobicContact CG2-CG 4.37Å; T91-Y144 WeakPolarHBondContact CG2-OH 3.33Å; T91-A165 WeakPolarHBondContact OG1-CA 3.35Å; T91-A165 WeakPolarHBondContact OG1-CB 3.32Å; T91-A165 PolarHBondContact OG1-N 3.32Å; T91-S168 WeakPolarHBondContact CA-OG 3.25Å; T91-L337 HydrophobicContact CG2-CD1 4.08Å |
| 92 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D88 V89 I90 Y96 A141 Y144 L145 | D88-A92 WeakPolarHBondContact O-CB 3.19Å; D88-A92 PolarHBondContact O-N 3.14Å; V89-A92 PolarHBondContact O-N 3.36Å; I90-A92 PolarHBondContact O-N 3.3Å; A92-Y96 VanDerWaalsContact O-CB 3.25Å; A92-Y96 WeakPolarHBondContact O-CB 3.35Å; A92-Y96 PolarHBondContact O-N 3.45Å; A92-A141 HydrophobicContact CB-CB 4.43Å; A92-Y144 HydrophobicContact CB-CD1 4.15Å; A92-L145 HydrophobicContact CB-CD1 3.57Å; A92-L145 HydrophobicContact CB-CD2 3.7Å; A92-L145 HydrophobicContact CB-CG 3.51Å |
| 93 | V | 97.8 | Very high | 96.7 | Very high | 53 Ų | 53 | 27.1 Ų | 27.1 | 32% | 0.321 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 178.4 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | L9 V89 I90 T91 Y96 V97 | L9-V93 HydrophobicContact CD1-CG2 4.06Å; L9-V93 HydrophobicContact CD2-CG2 4.35Å; V89-V93 HydrophobicContact CG1-CG2 4.27Å; V89-V93 WeakPolarHBondContact O-CB 3.42Å; V89-V93 VanDerWaalsContact O-CG2 3.27Å; V89-V93 WeakPolarHBondContact O-CG2 3.4Å; V89-V93 PolarHBondContact O-N 3Å; I90-V93 PolarHBondContact O-N 3.44Å; T91-V93 PolarHBondContact O-N 3.13Å; V93-Y96 PolarHBondContact O-N 3.37Å; V93-V97 HydrophobicContact CG1-CG2 4.4Å; V93-V97 WeakPolarHBondContact O-CG2 3.42Å; V93-V97 PolarHBondContact O-N 3.48Å |
| 94 | A | 98.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | I90 T91 Y96 V97 A98 S168 L169 L172 | I90-A94 WeakPolarHBondContact O-CB 3.39Å; I90-A94 PolarHBondContact O-N 3.38Å; T91-A94 PolarHBondContact O-N 2.99Å; A94-Y96 PolarHBondContact O-N 3Å; A94-V97 PolarHBondContact O-N 2.81Å; A94-A98 WeakPolarHBondContact O-CB 3.26Å; A94-A98 PolarHBondContact O-N 3.35Å; A94-S168 WeakPolarHBondContact CB-OG 3.42Å; A94-L169 HydrophobicContact CB-CD2 4.09Å; A94-L172 HydrophobicContact CB-CB 4.36Å; A94-L172 HydrophobicContact CB-CD2 4.17Å |
| 95 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.3 | -67.4 | -179.7 | 0 | 0 | 0 | 112.1 | T91 A98 M99 V140 Y144 L337 A340 F341 | T91-L95 HydrophobicContact CG2-CD1 4.11Å; T91-L95 HydrophobicContact CG2-CG 4.48Å; T91-L95 WeakPolarHBondContact O-CB 3.43Å; T91-L95 VanDerWaalsContact O-CG 3.32Å; T91-L95 WeakPolarHBondContact O-CG 3.41Å; T91-L95 PolarHBondContact O-N 3.48Å; L95-A98 PolarHBondContact O-N 3.26Å; L95-M99 WeakPolarHBondContact O-CB 3.41Å; L95-M99 VanDerWaalsContact O-CG 3.25Å; L95-M99 WeakPolarHBondContact O-CG 3.31Å; L95-M99 PolarHBondContact O-N 3.42Å; L95-V140 HydrophobicContact CB-CG1 3.88Å; L95-V140 HydrophobicContact CD1-CG1 4.39Å; L95-Y144 HydrophobicContact CD1-CD2 4.46Å; L95-L337 HydrophobicContact CD1-CD1 4.32Å; L95-A340 HydrophobicContact CD1-CB 4.25Å; L95-F341 HydrophobicContact CD1-CE2 4.5Å; L95-F341 HydrophobicContact CD2-CE1 4.29Å; L95-F341 HydrophobicContact CD2-CE2 3.83Å; L95-F341 HydrophobicContact CD2-CZ 3.47Å; L95-F341 VanDerWaalsContact CD2-CZ 3.47Å |
| 96 | Y | 97.1 | Very high | 95.9 | Very high | 43 Ų | 43 | 33.8 Ų | 33.8 | 17% | 0.169 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.8 | -51.5 | 176 | 175.7 | -91.5 | 0 | 0 | 0 | 111.8 | L5 A92 V93 A94 M99 K100 P137 L138 A141 | L5-Y96 HydrophobicContact CD1-CD2 4.2Å; L5-Y96 HydrophobicContact CD1-CG 4.38Å; L5-Y96 HydrophobicContact CD2-CD1 3.78Å; L5-Y96 HydrophobicContact CD2-CD2 4.3Å; L5-Y96 HydrophobicContact CD2-CE1 3.89Å; L5-Y96 HydrophobicContact CD2-CE2 4.43Å; L5-Y96 HydrophobicContact CD2-CG 4Å; A92-Y96 VanDerWaalsContact O-CB 3.25Å; A92-Y96 WeakPolarHBondContact O-CB 3.35Å; A92-Y96 PolarHBondContact O-N 3.45Å; V93-Y96 PolarHBondContact O-N 3.37Å; A94-Y96 PolarHBondContact O-N 3Å; Y96-M99 PolarHBondContact O-N 3.35Å; Y96-K100 HydrophobicContact CE1-CD 4.47Å; Y96-K100 WeakPolarHBondContact O-CB 3.24Å; Y96-K100 PolarHBondContact O-N 2.89Å; Y96-P137 VanDerWaalsContact CD2-C 3.44Å; Y96-P137 HydrophobicContact CD2-CB 3.67Å; Y96-P137 WeakPolarHBondContact CD2-O 3.22Å; Y96-P137 HydrophobicContact CE2-CB 3.77Å; Y96-P137 HydrophobicContact CG-CB 4.28Å; Y96-L138 HydrophobicContact CE2-CB 4.29Å; Y96-A141 HydrophobicContact CD2-CB 4.49Å |
| 97 | V | 97.2 | Very high | 95.5 | Very high | 41 Ų | 41 | 33.5 Ų | 33.5 | 25% | 0.248 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.1 | -42.4 | -179.3 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | V93 A94 M99 K100 D101 L172 | V93-V97 HydrophobicContact CG1-CG2 4.4Å; V93-V97 WeakPolarHBondContact O-CG2 3.42Å; V93-V97 PolarHBondContact O-N 3.48Å; A94-V97 PolarHBondContact O-N 2.81Å; V97-M99 PolarHBondContact O-N 2.94Å; V97-K100 WeakPolarHBondContact O-CB 3.43Å; V97-K100 PolarHBondContact O-N 3.06Å; V97-D101 PolarHBondContact O-N 2.92Å; V97-L172 HydrophobicContact CB-CD1 3.82Å; V97-L172 HydrophobicContact CG1-CD1 3.61Å |
| 98 | A | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A94 L95 K100 D101 F102 V171 L172 I175 | A94-A98 WeakPolarHBondContact O-CB 3.26Å; A94-A98 PolarHBondContact O-N 3.35Å; L95-A98 PolarHBondContact O-N 3.26Å; A98-K100 VanDerWaalsContact C-N 3.33Å; A98-K100 PolarHBondContact O-N 3.3Å; A98-D101 PolarHBondContact O-N 2.98Å; A98-F102 WeakPolarHBondContact O-CB 3.32Å; A98-F102 PolarHBondContact O-N 3.37Å; A98-V171 HydrophobicContact CB-CG1 4.25Å; A98-L172 HydrophobicContact CB-CB 4.15Å; A98-L172 HydrophobicContact CB-CD1 3.99Å; A98-I175 HydrophobicContact CB-CD1 3.89Å; A98-I175 WeakPolarHBondContact O-CG2 3.45Å |
| 99 | M | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.5 | -30.7 | -178.7 | -65.2 | -53.9 | 111.8 | 0 | 0 | 112.7 | L95 Y96 V97 F102 N103 P137 V140 V171 I175 F341 V344 | L95-M99 WeakPolarHBondContact O-CB 3.41Å; L95-M99 VanDerWaalsContact O-CG 3.25Å; L95-M99 WeakPolarHBondContact O-CG 3.31Å; L95-M99 PolarHBondContact O-N 3.42Å; Y96-M99 PolarHBondContact O-N 3.35Å; V97-M99 PolarHBondContact O-N 2.94Å; M99-F102 HydrophobicContact SD-CD1 4.38Å; M99-N103 WeakPolarHBondContact O-CB 3.49Å; M99-N103 PolarHBondContact O-N 3.49Å; M99-P137 HydrophobicContact CB-CB 4.34Å; M99-P137 HydrophobicContact CB-CG 4.35Å; M99-V140 HydrophobicContact CG-CG1 4.24Å; M99-V140 HydrophobicContact CG-CG2 4.19Å; M99-V171 HydrophobicContact CE-CG1 4.01Å; M99-I175 HydrophobicContact CE-CD1 3.45Å; M99-I175 VanDerWaalsContact CE-CD1 3.45Å; M99-F341 HydrophobicContact CE-CD1 4.39Å; M99-F341 HydrophobicContact CE-CE1 3.79Å; M99-F341 HydrophobicContact SD-CD1 4.47Å; M99-F341 HydrophobicContact SD-CE1 4.43Å; M99-V344 HydrophobicContact CG-CG2 3.89Å; M99-V344 HydrophobicContact SD-CB 4.44Å; M99-V344 HydrophobicContact SD-CG1 4.05Å; M99-V344 HydrophobicContact SD-CG2 3.47Å; M99-V344 WeakPolarHBondContact SD-CG2 3.48Å |
| 100 | K | 95.3 | Very high | 94 | Very high | 119 Ų | 119 | 44.7 Ų | 44.7 | 52% | 0.517 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 172.1 | -176.6 | -176.6 | 177.5 | -174.1 | 0 | 111.4 | Y96 V97 A98 N103 K104 P137 | Y96-K100 HydrophobicContact CE1-CD 4.47Å; Y96-K100 WeakPolarHBondContact O-CB 3.24Å; Y96-K100 PolarHBondContact O-N 2.89Å; V97-K100 WeakPolarHBondContact O-CB 3.43Å; V97-K100 PolarHBondContact O-N 3.06Å; A98-K100 VanDerWaalsContact C-N 3.33Å; A98-K100 PolarHBondContact O-N 3.3Å; K100-N103 PolarHBondContact O-N 3.17Å; K100-K104 PolarHBondContact O-N 3.43Å; K100-K104 VanDerWaalsContact O-N 3.13Å; K100-P137 HydrophobicContact CB-CB 4.26Å; K100-P137 HydrophobicContact CB-CG 3.97Å |
| 101 | D | 94.5 | Very high | 93.3 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.251 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68 | -41.1 | 178.8 | -74.9 | -18.2 | 0 | 0 | 0 | 111.4 | V97 A98 N103 K104 Q105 I175 | V97-D101 PolarHBondContact O-N 2.92Å; A98-D101 PolarHBondContact O-N 2.98Å; D101-N103 PolarHBondContact O-N 2.94Å; D101-K104 WeakPolarHBondContact O-CB 3.28Å; D101-K104 PolarHBondContact O-N 2.97Å; D101-Q105 WeakPolarHBondContact O-CG 3.26Å; D101-Q105 PolarHBondContact O-N 3.28Å; D101-Q105 VanDerWaalsContact O-N 3.1Å; D101-I175 HydrophobicContact CB-CG2 3.99Å |
| 102 | F | 94.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.4 | -48.4 | 173.8 | 173.6 | -115.1 | 0 | 0 | 0 | 112 | A98 M99 K104 Q105 V106 I175 V313 V344 W345 | A98-F102 WeakPolarHBondContact O-CB 3.32Å; A98-F102 PolarHBondContact O-N 3.37Å; M99-F102 HydrophobicContact SD-CD1 4.38Å; F102-K104 VanDerWaalsContact C-N 3.29Å; F102-K104 PolarHBondContact O-N 3.36Å; F102-Q105 WeakPolarHBondContact O-CB 3.32Å; F102-Q105 PolarHBondContact O-N 3.1Å; F102-V106 HydrophobicContact CD1-CG2 4.3Å; F102-V106 HydrophobicContact CD2-CG2 4.01Å; F102-V106 HydrophobicContact CE1-CG2 3.89Å; F102-V106 HydrophobicContact CE2-CG2 3.55Å; F102-V106 HydrophobicContact CG-CG2 4.37Å; F102-V106 HydrophobicContact CZ-CG2 3.5Å; F102-V106 VanDerWaalsContact CZ-CG2 3.5Å; F102-V106 WeakPolarHBondContact O-CG2 3.42Å; F102-V106 PolarHBondContact O-N 3.23Å; F102-I175 HydrophobicContact CB-CD1 4.24Å; F102-I175 HydrophobicContact CB-CG2 4.13Å; F102-V313 HydrophobicContact CD2-CB 4.3Å; F102-V313 HydrophobicContact CD2-CG1 4.29Å; F102-V313 HydrophobicContact CD2-CG2 3.72Å; F102-V313 HydrophobicContact CE1-CG1 4.27Å; F102-V313 HydrophobicContact CE2-CB 3.75Å; F102-V313 HydrophobicContact CE2-CG1 4.02Å; F102-V313 HydrophobicContact CE2-CG2 3.49Å; F102-V313 VanDerWaalsContact CE2-CG2 3.49Å; F102-V313 HydrophobicContact CZ-CB 3.98Å; F102-V313 HydrophobicContact CZ-CG1 4Å; F102-V313 HydrophobicContact CZ-CG2 4.24Å; F102-V344 HydrophobicContact CD1-CG1 4.28Å; F102-V344 HydrophobicContact CE1-CG1 3.94Å; F102-W345 HydrophobicContact CZ-CH2 4.48Å |
| 103 | N | 93.6 | Very high | 92 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -37.4 | 178.6 | -81 | -11.5 | 0 | 0 | 0 | 112.2 | M99 K100 D101 Q105 V106 F107 M133 I136 | M99-N103 WeakPolarHBondContact O-CB 3.49Å; M99-N103 PolarHBondContact O-N 3.49Å; K100-N103 PolarHBondContact O-N 3.17Å; D101-N103 PolarHBondContact O-N 2.94Å; N103-Q105 VanDerWaalsContact C-N 3.3Å; N103-Q105 PolarHBondContact O-N 3.22Å; N103-V106 PolarHBondContact O-N 3.14Å; N103-F107 VanDerWaalsContact O-CB 3.27Å; N103-F107 WeakPolarHBondContact O-CB 3.43Å; N103-F107 PolarHBondContact O-N 2.94Å; N103-M133 HydrophobicContact CB-CB 4.45Å; N103-M133 HydrophobicContact CB-CE 3.91Å; N103-M133 PolarHBondContact ND2-O 3.49Å; N103-M133 WeakPolarHBondContact O-CE 3.42Å; N103-I136 WeakPolarHBondContact ND2-CB 3.49Å |
| 104 | K | 91.4 | Very high | 91.2 | Very high | 118 Ų | 118 | 55.7 Ų | 55.7 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 173.8 | -174.6 | 179.2 | 179.4 | -178.7 | 0 | 111.8 | K100 D101 F102 R108 | K100-K104 PolarHBondContact O-N 3.43Å; K100-K104 VanDerWaalsContact O-N 3.13Å; D101-K104 WeakPolarHBondContact O-CB 3.28Å; D101-K104 PolarHBondContact O-N 2.97Å; F102-K104 VanDerWaalsContact C-N 3.29Å; F102-K104 PolarHBondContact O-N 3.36Å; K104-R108 WeakPolarHBondContact O-CG 3.27Å; K104-R108 PolarHBondContact O-N 3.3Å; K104-R108 VanDerWaalsContact O-N 3.17Å |
| 105 | Q | 90.4 | Very high | 90.5 | Very high | 43 Ų | 43 | 61.1 Ų | 61.1 | 20% | 0.201 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.3 | -44.7 | 176.6 | -65.7 | -179.1 | 28 | 0 | 0 | 112.1 | D101 F102 N103 F107 R108 K109 I175 Y206 | D101-Q105 WeakPolarHBondContact O-CG 3.26Å; D101-Q105 PolarHBondContact O-N 3.28Å; D101-Q105 VanDerWaalsContact O-N 3.1Å; F102-Q105 WeakPolarHBondContact O-CB 3.32Å; F102-Q105 PolarHBondContact O-N 3.1Å; N103-Q105 VanDerWaalsContact C-N 3.3Å; N103-Q105 PolarHBondContact O-N 3.22Å; Q105-F107 VanDerWaalsContact C-N 3.32Å; Q105-F107 PolarHBondContact O-N 2.96Å; Q105-R108 PolarHBondContact O-N 2.99Å; Q105-K109 WeakPolarHBondContact O-CG 3.35Å; Q105-K109 PolarHBondContact O-N 2.65Å; Q105-I175 PolarHBondContact NE2-O 2.86Å; Q105-Y206 PolarHBondContact NE2-OH 3.15Å; Q105-Y206 PolarHBondContact OE1-OH 2.92Å |
| 106 | V | 89.8 | Confident | 89.7 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | F102 N103 R108 K109 Q110 M133 | F102-V106 HydrophobicContact CD1-CG2 4.3Å; F102-V106 HydrophobicContact CD2-CG2 4.01Å; F102-V106 HydrophobicContact CE1-CG2 3.89Å; F102-V106 HydrophobicContact CE2-CG2 3.55Å; F102-V106 HydrophobicContact CG-CG2 4.37Å; F102-V106 HydrophobicContact CZ-CG2 3.5Å; F102-V106 VanDerWaalsContact CZ-CG2 3.5Å; F102-V106 WeakPolarHBondContact O-CG2 3.42Å; F102-V106 PolarHBondContact O-N 3.23Å; N103-V106 PolarHBondContact O-N 3.14Å; V106-R108 PolarHBondContact O-N 3.21Å; V106-K109 PolarHBondContact O-N 2.98Å; V106-Q110 HydrophobicContact CG1-CG 4.24Å; V106-Q110 WeakPolarHBondContact O-CB 3.37Å; V106-Q110 WeakPolarHBondContact O-CG 3.48Å; V106-Q110 PolarHBondContact O-N 3.43Å; V106-M133 HydrophobicContact CB-CE 3.82Å; V106-M133 HydrophobicContact CG1-CE 3.77Å |
| 107 | F | 89.7 | Confident | 88.8 | Confident | 91 Ų | 91 | 70.9 Ų | 70.9 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 178.6 | 178.7 | -102.9 | 0 | 0 | 0 | 111.8 | N103 Q105 Q110 K111 P130 M133 | N103-F107 VanDerWaalsContact O-CB 3.27Å; N103-F107 WeakPolarHBondContact O-CB 3.43Å; N103-F107 PolarHBondContact O-N 2.94Å; Q105-F107 VanDerWaalsContact C-N 3.32Å; Q105-F107 PolarHBondContact O-N 2.96Å; F107-Q110 PolarHBondContact O-N 2.85Å; F107-K111 WeakPolarHBondContact O-CB 3.39Å; F107-K111 PolarHBondContact O-N 3.46Å; F107-P130 HydrophobicContact CE2-CB 4.37Å; F107-P130 HydrophobicContact CE2-CG 4.04Å; F107-M133 HydrophobicContact CB-CE 3.99Å; F107-M133 HydrophobicContact CB-SD 4.35Å; F107-M133 HydrophobicContact CD2-SD 4.42Å |
| 108 | R | 87.6 | Confident | 87.7 | Confident | 140 Ų | 140 | 78.6 Ų | 78.6 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 174.4 | -73.5 | 172.3 | 174 | -172.9 | -6 | 111.6 | K104 Q105 V106 Q110 K111 F112 | K104-R108 WeakPolarHBondContact O-CG 3.27Å; K104-R108 PolarHBondContact O-N 3.3Å; K104-R108 VanDerWaalsContact O-N 3.17Å; Q105-R108 PolarHBondContact O-N 2.99Å; V106-R108 PolarHBondContact O-N 3.21Å; R108-Q110 VanDerWaalsContact C-N 3.31Å; R108-Q110 PolarHBondContact O-N 3.44Å; R108-K111 PolarHBondContact O-N 3.48Å; R108-F112 HydrophobicContact CB-CE2 4.49Å; R108-F112 WeakPolarHBondContact O-CD2 3.42Å; R108-F112 PolarHBondContact O-N 3.4Å |
| 109 | K | 86.2 | Confident | 86.7 | Confident | 117 Ų | 117 | 81.3 Ų | 81.3 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 178.2 | -73.3 | -179.1 | 176.9 | -178.1 | 0 | 112 | Q105 V106 S113 | Q105-K109 WeakPolarHBondContact O-CG 3.35Å; Q105-K109 PolarHBondContact O-N 2.65Å; V106-K109 PolarHBondContact O-N 2.98Å; K109-S113 WeakPolarHBondContact O-CB 3.38Å; K109-S113 PolarHBondContact O-N 3.41Å; K109-S113 VanDerWaalsContact O-N 3.08Å; K109-S113 PolarHBondContact O-OG 2.9Å |
| 110 | Q | 85 | Confident | 85.7 | Confident | 16 Ų | 16 | 83.3 Ų | 83.3 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 176.6 | -77.2 | 177 | -32.7 | 0 | 0 | 111.7 | V106 F107 R108 F112 S113 L114 | V106-Q110 HydrophobicContact CG1-CG 4.24Å; V106-Q110 WeakPolarHBondContact O-CB 3.37Å; V106-Q110 WeakPolarHBondContact O-CG 3.48Å; V106-Q110 PolarHBondContact O-N 3.43Å; F107-Q110 PolarHBondContact O-N 2.85Å; R108-Q110 VanDerWaalsContact C-N 3.31Å; R108-Q110 PolarHBondContact O-N 3.44Å; Q110-F112 PolarHBondContact O-N 3.32Å; Q110-S113 PolarHBondContact O-N 3.26Å; Q110-L114 WeakPolarHBondContact O-CG 3.17Å; Q110-L114 PolarHBondContact O-N 2.89Å |
| 111 | K | 85.1 | Confident | 84.5 | Confident | 109 Ų | 109 | 81.3 Ų | 81.3 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.4 | -49 | 177.3 | -177.4 | 177.4 | 171.5 | 177.9 | 0 | 111.8 | F107 R108 S113 L114 E115 | F107-K111 WeakPolarHBondContact O-CB 3.39Å; F107-K111 PolarHBondContact O-N 3.46Å; R108-K111 PolarHBondContact O-N 3.48Å; K111-S113 VanDerWaalsContact C-N 3.31Å; K111-S113 PolarHBondContact O-N 3.01Å; K111-L114 WeakPolarHBondContact O-CB 3.48Å; K111-L114 PolarHBondContact O-N 2.94Å; K111-E115 WeakPolarHBondContact CE-OE1 3.25Å; K111-E115 IonicContact NZ-OE1 3.15Å; K111-E115 WeakPolarHBondContact O-CG 3.38Å; K111-E115 PolarHBondContact O-N 3.28Å |
| 112 | F | 84.4 | Confident | 83.5 | Confident | 142 Ų | 142 | 83.3 Ų | 83.3 | 62% | 0.623 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62 | -38 | 176.8 | -73.3 | -59.2 | 0 | 0 | 0 | 113 | R108 Q110 L114 E115 A116 | R108-F112 HydrophobicContact CB-CE2 4.49Å; R108-F112 WeakPolarHBondContact O-CD2 3.42Å; R108-F112 PolarHBondContact O-N 3.4Å; Q110-F112 PolarHBondContact O-N 3.32Å; F112-L114 VanDerWaalsContact C-N 3.33Å; F112-E115 PolarHBondContact O-N 3.45Å; F112-A116 VanDerWaalsContact O-CB 3.29Å; F112-A116 WeakPolarHBondContact O-CB 3.26Å; F112-A116 PolarHBondContact O-N 2.87Å |
| 113 | S | 82.8 | Confident | 82.5 | Confident | 30 Ų | 30 | 82.7 Ų | 82.7 | 21% | 0.21 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -71.2 | -30.4 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | K109 Q110 K111 R118 | K109-S113 WeakPolarHBondContact O-CB 3.38Å; K109-S113 PolarHBondContact O-N 3.41Å; K109-S113 VanDerWaalsContact O-N 3.08Å; K109-S113 PolarHBondContact O-OG 2.9Å; Q110-S113 PolarHBondContact O-N 3.26Å; K111-S113 VanDerWaalsContact C-N 3.31Å; K111-S113 PolarHBondContact O-N 3.01Å; S113-R118 WeakPolarHBondContact O-CB 3.39Å; S113-R118 PolarHBondContact O-N 3.39Å; S113-R118 VanDerWaalsContact O-N 3.09Å |
| 114 | L | 82.1 | Confident | 81.6 | Confident | 67 Ų | 67 | 87.1 Ų | 87.1 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.7 | -47.2 | 171.7 | -80.7 | 166.2 | 0 | 0 | 0 | 111.8 | Q110 K111 F112 A116 E117 Y119 L124 I127 | Q110-L114 WeakPolarHBondContact O-CG 3.17Å; Q110-L114 PolarHBondContact O-N 2.89Å; K111-L114 WeakPolarHBondContact O-CB 3.48Å; K111-L114 PolarHBondContact O-N 2.94Å; F112-L114 VanDerWaalsContact C-N 3.33Å; L114-A116 PolarHBondContact O-N 2.9Å; L114-E117 PolarHBondContact O-N 3.42Å; L114-Y119 HydrophobicContact CD2-CD2 3.97Å; L114-Y119 HydrophobicContact CG-CD2 4.07Å; L114-Y119 HydrophobicContact CG-CE2 4.44Å; L114-L124 HydrophobicContact CD2-CD2 3.6Å; L114-I127 HydrophobicContact CD1-CD1 3.94Å; L114-I127 HydrophobicContact CD1-CG2 4.45Å; L114-I127 HydrophobicContact CD2-CD1 3.35Å; L114-I127 HydrophobicContact CG-CD1 3.9Å |
| 115 | E | 83.1 | Confident | 80.7 | Confident | 118 Ų | 118 | 88.3 Ų | 88.3 | 55% | 0.551 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63 | -29.8 | 177 | -71.8 | 171.7 | 176 | 0 | 0 | 112.3 | K111 F112 E117 | K111-E115 WeakPolarHBondContact CE-OE1 3.25Å; K111-E115 IonicContact NZ-OE1 3.15Å; K111-E115 WeakPolarHBondContact O-CG 3.38Å; K111-E115 PolarHBondContact O-N 3.28Å; F112-E115 PolarHBondContact O-N 3.45Å; E115-E117 VanDerWaalsContact C-N 3.26Å; E115-E117 PolarHBondContact O-N 3.22Å |
| 116 | A | 80.8 | Confident | 80.1 | Confident | 73 Ų | 73 | 86.8 Ų | 86.8 | 60% | 0.603 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 9.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F112 L114 R118 | F112-A116 VanDerWaalsContact O-CB 3.29Å; F112-A116 WeakPolarHBondContact O-CB 3.26Å; F112-A116 PolarHBondContact O-N 2.87Å; L114-A116 PolarHBondContact O-N 2.9Å; A116-R118 PolarHBondContact O-N 3.48Å |
| 117 | E | 77.3 | Confident | 79.5 | Confident | 176 Ų | 176 | 87.3 Ų | 87.3 | 82% | 0.822 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 29.8 | -179.4 | -62.2 | -176.1 | 176.1 | 0 | 0 | 114.1 | L114 E115 Y119 | L114-E117 PolarHBondContact O-N 3.42Å; E115-E117 VanDerWaalsContact C-N 3.26Å; E115-E117 PolarHBondContact O-N 3.22Å; E117-Y119 VanDerWaalsContact C-N 3.28Å; E117-Y119 PolarHBondContact O-N 2.74Å |
| 118 | R | 74.9 | Confident | 79.1 | Confident | 202 Ų | 202 | 84 Ų | 84 | 76% | 0.762 | 41% | 0.41 | S | S | * | . | trans | -78.5 | -15.2 | -175 | -161.4 | 170.1 | -174.7 | 161.8 | 2.2 | 113 | S113 A116 | S113-R118 WeakPolarHBondContact O-CB 3.39Å; S113-R118 PolarHBondContact O-N 3.39Å; S113-R118 VanDerWaalsContact O-N 3.09Å; A116-R118 PolarHBondContact O-N 3.48Å | ||
| 119 | Y | 75.9 | Confident | 78.8 | Confident | 58 Ų | 58 | 79 Ų | 79 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -99.8 | 133.5 | 178.5 | -66.4 | -58 | 0 | 0 | 0 | 111.1 | L114 E117 I127 L416 | L114-Y119 HydrophobicContact CD2-CD2 3.97Å; L114-Y119 HydrophobicContact CG-CD2 4.07Å; L114-Y119 HydrophobicContact CG-CE2 4.44Å; E117-Y119 VanDerWaalsContact C-N 3.28Å; E117-Y119 PolarHBondContact O-N 2.74Å; Y119-I127 HydrophobicContact CD2-CD1 4.19Å; Y119-L416 HydrophobicContact CD1-CB 4.49Å; Y119-L416 HydrophobicContact CD1-CD2 4.14Å; Y119-L416 HydrophobicContact CE1-CB 4.26Å; Y119-L416 HydrophobicContact CE1-CD2 4.06Å |
| 120 | P | 74.3 | Confident | 78.6 | Confident | 42 Ų | 42 | 77.4 Ų | 77.4 | 27% | 0.273 | 40% | 0.399 | S | S | . | . | trans | -57 | 142.8 | 168.3 | -22.1 | 32.7 | 0 | 0 | 0 | 111.1 | D122 C123 | P120-D122 PolarHBondContact O-N 2.88Å; P120-C123 WeakPolarHBondContact O-CB 3.5Å; P120-C123 PolarHBondContact O-N 2.89Å | ||
| 121 | A | 70.4 | Confident | 78.5 | Confident | 76 Ų | 76 | 81.2 Ų | 81.2 | 63% | 0.628 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -56.8 | -34.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C123 L124 | A121-C123 PolarHBondContact O-N 3.43Å; A121-L124 WeakPolarHBondContact O-CD1 3.38Å; A121-L124 VanDerWaalsContact O-CG 3.29Å; A121-L124 WeakPolarHBondContact O-CG 3.42Å; A121-L124 PolarHBondContact O-N 2.88Å |
| 122 | D | 73.7 | Confident | 78.4 | Confident | 89 Ų | 89 | 80.7 Ų | 80.7 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -65.7 | -20.7 | 178.5 | -54.9 | -12.2 | 0 | 0 | 0 | 112.7 | P120 L420 Y421 | P120-D122 PolarHBondContact O-N 2.88Å; D122-L420 WeakPolarHBondContact O-CD1 3.45Å; D122-Y421 HydrophobicContact CB-CD2 4.3Å |
| 123 | C | 74.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -93.8 | 4.5 | -174.6 | -66.8 | 0 | 0 | 0 | 0 | 114.6 | P120 A121 E125 L126 H415 L416 G419 | P120-C123 WeakPolarHBondContact O-CB 3.5Å; P120-C123 PolarHBondContact O-N 2.89Å; A121-C123 PolarHBondContact O-N 3.43Å; C123-E125 PolarHBondContact O-N 3.45Å; C123-L126 HydrophobicContact CB-CD1 4.46Å; C123-L126 WeakPolarHBondContact O-CB 3.47Å; C123-L126 PolarHBondContact O-N 3.45Å; C123-H415 PolarHBondContact SG-O 3.41Å; C123-L416 HydrophobicContact CB-CD2 4.48Å; C123-G419 VanDerWaalsContact SG-CA 3.56Å |
| 124 | L | 73.2 | Confident | 78.7 | Confident | 100 Ų | 100 | 78.3 Ų | 78.3 | 52% | 0.524 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -60.2 | -32 | 179.5 | -68.3 | 173.3 | 0 | 0 | 0 | 112.4 | L114 A121 L126 I127 | L114-L124 HydrophobicContact CD2-CD2 3.6Å; A121-L124 WeakPolarHBondContact O-CD1 3.38Å; A121-L124 VanDerWaalsContact O-CG 3.29Å; A121-L124 WeakPolarHBondContact O-CG 3.42Å; A121-L124 PolarHBondContact O-N 2.88Å; L124-L126 PolarHBondContact O-N 3.45Å; L124-I127 HydrophobicContact CD2-CD1 3.77Å; L124-I127 WeakPolarHBondContact O-CB 3.25Å; L124-I127 PolarHBondContact O-N 3.39Å |
| 125 | E | 73.7 | Confident | 79.1 | Confident | 143 Ų | 143 | 81.5 Ų | 81.5 | 67% | 0.668 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -65 | -22.7 | 174.5 | -65 | -171.6 | 176.6 | 0 | 0 | 114 | C123 I127 R350 | C123-E125 PolarHBondContact O-N 3.45Å; E125-I127 VanDerWaalsContact C-N 3.28Å; E125-R350 IonicContact OE2-NH1 3.76Å; E125-R350 PolarHBondContact OE2-NH1 2.84Å; E125-R350 VanDerWaalsContact OE2-NH1 3.15Å; E125-R350 IonicContact OE2-NH2 2.76Å |
| 126 | L | 76.4 | Confident | 79.6 | Confident | 12 Ų | 12 | 76 Ų | 76 | 6% | 0.063 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -85.7 | -4.9 | -179.3 | -61.1 | 178.2 | 0 | 0 | 0 | 112.7 | C123 L124 F351 R412 H415 L416 L420 | C123-L126 HydrophobicContact CB-CD1 4.46Å; C123-L126 WeakPolarHBondContact O-CB 3.47Å; C123-L126 PolarHBondContact O-N 3.45Å; L124-L126 PolarHBondContact O-N 3.45Å; L126-F351 HydrophobicContact CD1-CZ 4.35Å; L126-F351 HydrophobicContact CD2-CE2 3.88Å; L126-F351 HydrophobicContact CD2-CZ 3.57Å; L126-R412 PolarHBondContact O-NE 3.28Å; L126-R412 PolarHBondContact O-NH2 2.92Å; L126-H415 HydrophobicContact CD1-CB 3.76Å; L126-L416 HydrophobicContact CB-CD2 3.96Å; L126-L420 HydrophobicContact CD1-CD1 3.8Å; L126-L420 HydrophobicContact CD1-CG 4Å; L126-L420 HydrophobicContact CG-CD1 3.96Å |
| 127 | I | 79.1 | Confident | 80.3 | Confident | 33 Ų | 33 | 72.7 Ų | 72.7 | 17% | 0.169 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -78.4 | 141.3 | 177.7 | -56.9 | -179.1 | 0 | 0 | 0 | 108.7 | L114 Y119 L124 E125 S129 | L114-I127 HydrophobicContact CD1-CD1 3.94Å; L114-I127 HydrophobicContact CD1-CG2 4.45Å; L114-I127 HydrophobicContact CD2-CD1 3.35Å; L114-I127 HydrophobicContact CG-CD1 3.9Å; Y119-I127 HydrophobicContact CD2-CD1 4.19Å; L124-I127 HydrophobicContact CD2-CD1 3.77Å; L124-I127 WeakPolarHBondContact O-CB 3.25Å; L124-I127 PolarHBondContact O-N 3.39Å; E125-I127 VanDerWaalsContact C-N 3.28Å; I127-S129 PolarHBondContact O-N 3Å |
| 128 | R | 81.3 | Confident | 81.1 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 130.5 | -178.1 | -62.5 | -176.7 | -172.1 | 172.5 | 7.4 | 109.2 | M133 H347 | R128-M133 HydrophobicContact CB-CG 3.84Å; R128-M133 HydrophobicContact CB-SD 3.7Å; R128-H347 HydrophobicContact CG-CB 4.11Å; R128-H347 PolarHBondContact NE-CE1 3.34Å; R128-H347 PolarHBondContact NE-ND1 3.07Å; R128-H347 PolarHBondContact NH2-CE1 2.67Å; R128-H347 PolarHBondContact NH2-NE2 3.31Å |
| 129 | S | 80.2 | Confident | 82.1 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 145.1 | 177.8 | 68.6 | 0 | 0 | 0 | 0 | 111.1 | I127 T131 E132 M133 | I127-S129 PolarHBondContact O-N 3Å; S129-T131 PolarHBondContact O-N 2.72Å; S129-T131 PolarHBondContact OG-OG1 2.78Å; S129-E132 PolarHBondContact N-OE2 2.87Å; S129-E132 PolarHBondContact O-N 3.14Å; S129-E132 VanDerWaalsContact OG-CB 3.23Å; S129-E132 WeakPolarHBondContact OG-CB 3.34Å; S129-E132 WeakPolarHBondContact OG-CG 3.42Å; S129-E132 PolarHBondContact OG-N 3.33Å; S129-E132 PolarHBondContact OG-OE2 3.14Å; S129-M133 WeakPolarHBondContact O-CG 3.44Å; S129-M133 PolarHBondContact O-N 2.9Å; S129-M133 VanDerWaalsContact O-N 3.07Å |
| 130 | P | 82.3 | Confident | 83.1 | Confident | 85 Ų | 85 | 58.4 Ų | 58.4 | 55% | 0.552 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.2 | -34.8 | 179 | -23 | 32.4 | 0 | 0 | 0 | 113 | F107 F134 | F107-P130 HydrophobicContact CE2-CB 4.37Å; F107-P130 HydrophobicContact CE2-CG 4.04Å; P130-F134 WeakPolarHBondContact O-CB 3.46Å; P130-F134 PolarHBondContact O-N 2.84Å; P130-F134 VanDerWaalsContact O-N 3.08Å |
| 131 | T | 82.3 | Confident | 84.1 | Confident | 95 Ų | 95 | 56.4 Ų | 56.4 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67 | -45.5 | 178.5 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | S129 F134 Y135 | S129-T131 PolarHBondContact O-N 2.72Å; S129-T131 PolarHBondContact OG-OG1 2.78Å; T131-F134 WeakPolarHBondContact O-CB 3.36Å; T131-F134 PolarHBondContact O-N 3.25Å; T131-Y135 WeakPolarHBondContact O-CD2 3.34Å; T131-Y135 PolarHBondContact O-N 3.17Å |
| 132 | E | 83 | Confident | 85.3 | Confident | 99 Ų | 99 | 56.4 Ų | 56.4 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 174.9 | -73.6 | 166.4 | 154.3 | 0 | 0 | 111.4 | S129 F134 Y135 I136 | S129-E132 PolarHBondContact N-OE2 2.87Å; S129-E132 PolarHBondContact O-N 3.14Å; S129-E132 VanDerWaalsContact OG-CB 3.23Å; S129-E132 WeakPolarHBondContact OG-CB 3.34Å; S129-E132 WeakPolarHBondContact OG-CG 3.42Å; S129-E132 PolarHBondContact OG-N 3.33Å; S129-E132 PolarHBondContact OG-OE2 3.14Å; E132-F134 PolarHBondContact O-N 2.96Å; E132-Y135 PolarHBondContact O-N 2.94Å; E132-Y135 VanDerWaalsContact O-N 3.1Å; E132-I136 WeakPolarHBondContact O-CG1 3.41Å; E132-I136 PolarHBondContact O-N 3.42Å; E132-I136 VanDerWaalsContact O-N 3.14Å |
| 133 | M | 85.6 | Confident | 86.4 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -29.6 | 179.4 | -68.2 | -178 | 79.2 | 0 | 0 | 113 | N103 V106 F107 R128 S129 P137 | N103-M133 HydrophobicContact CB-CB 4.45Å; N103-M133 HydrophobicContact CB-CE 3.91Å; N103-M133 PolarHBondContact ND2-O 3.49Å; N103-M133 WeakPolarHBondContact O-CE 3.42Å; V106-M133 HydrophobicContact CB-CE 3.82Å; V106-M133 HydrophobicContact CG1-CE 3.77Å; F107-M133 HydrophobicContact CB-CE 3.99Å; F107-M133 HydrophobicContact CB-SD 4.35Å; F107-M133 HydrophobicContact CD2-SD 4.42Å; R128-M133 HydrophobicContact CB-CG 3.84Å; R128-M133 HydrophobicContact CB-SD 3.7Å; S129-M133 WeakPolarHBondContact O-CG 3.44Å; S129-M133 PolarHBondContact O-N 2.9Å; S129-M133 VanDerWaalsContact O-N 3.07Å; M133-P137 WeakPolarHBondContact O-CD 3.3Å |
| 134 | F | 87.6 | Confident | 87.4 | Confident | 110 Ų | 110 | 56.9 Ų | 56.9 | 48% | 0.482 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 176.5 | -179.1 | -95.2 | 0 | 0 | 0 | 112.8 | M1 P130 T131 E132 | M1-F134 HydrophobicContact CE-CE2 4.01Å; M1-F134 HydrophobicContact CE-CZ 3.98Å; M1-F134 HydrophobicContact SD-CE1 4.22Å; M1-F134 HydrophobicContact SD-CE2 3.98Å; M1-F134 HydrophobicContact SD-CZ 3.31Å; M1-F134 WeakPolarHBondContact SD-CZ 3.39Å; P130-F134 WeakPolarHBondContact O-CB 3.46Å; P130-F134 PolarHBondContact O-N 2.84Å; P130-F134 VanDerWaalsContact O-N 3.08Å; T131-F134 WeakPolarHBondContact O-CB 3.36Å; T131-F134 PolarHBondContact O-N 3.25Å; E132-F134 PolarHBondContact O-N 2.96Å |
| 135 | Y | 90.9 | Very high | 88.5 | Confident | 134 Ų | 134 | 52.2 Ų | 52.2 | 53% | 0.525 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -87.6 | -19.8 | -178.2 | -68.2 | -70.6 | 0 | 0 | 0 | 114.6 | T131 E132 L138 K139 | T131-Y135 WeakPolarHBondContact O-CD2 3.34Å; T131-Y135 PolarHBondContact O-N 3.17Å; E132-Y135 PolarHBondContact O-N 2.94Å; E132-Y135 VanDerWaalsContact O-N 3.1Å; Y135-L138 PolarHBondContact O-N 3.46Å; Y135-L138 VanDerWaalsContact O-N 3.15Å; Y135-K139 PolarHBondContact O-N 3.4Å |
| 136 | I | 93.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -50.2 | -48.1 | -179.5 | -76.7 | 170.3 | 0 | 0 | 0 | 113.2 | N103 E132 L138 K139 V140 V344 | N103-I136 WeakPolarHBondContact ND2-CB 3.49Å; E132-I136 WeakPolarHBondContact O-CG1 3.41Å; E132-I136 PolarHBondContact O-N 3.42Å; E132-I136 VanDerWaalsContact O-N 3.14Å; I136-L138 VanDerWaalsContact C-N 3.3Å; I136-L138 PolarHBondContact O-N 3.4Å; I136-K139 WeakPolarHBondContact O-CB 3.33Å; I136-K139 PolarHBondContact O-N 3.48Å; I136-K139 VanDerWaalsContact O-N 3.11Å; I136-V140 HydrophobicContact CG2-CG2 4.37Å; I136-V140 WeakPolarHBondContact O-CG2 3.26Å; I136-V140 PolarHBondContact O-N 3.31Å; I136-V344 HydrophobicContact CG2-CG2 4.37Å |
| 137 | P | 95.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.6 | -40.1 | -179.1 | -25.9 | 36.4 | 0 | 0 | 0 | 113.1 | Y96 M99 K100 M133 V140 A141 | Y96-P137 VanDerWaalsContact CD2-C 3.44Å; Y96-P137 HydrophobicContact CD2-CB 3.67Å; Y96-P137 WeakPolarHBondContact CD2-O 3.22Å; Y96-P137 HydrophobicContact CE2-CB 3.77Å; Y96-P137 HydrophobicContact CG-CB 4.28Å; M99-P137 HydrophobicContact CB-CB 4.34Å; M99-P137 HydrophobicContact CB-CG 4.35Å; K100-P137 HydrophobicContact CB-CB 4.26Å; K100-P137 HydrophobicContact CB-CG 3.97Å; M133-P137 WeakPolarHBondContact O-CD 3.3Å; P137-V140 PolarHBondContact O-N 2.92Å; P137-A141 PolarHBondContact O-N 2.88Å; P137-A141 VanDerWaalsContact O-N 3.14Å |
| 138 | L | 95.1 | Very high | 91.3 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.5 | -176.6 | 65.8 | 0 | 0 | 0 | 111.1 | P4 L5 L8 Y96 Y135 I136 V140 A141 M142 | P4-L138 HydrophobicContact CB-CD1 4.44Å; P4-L138 HydrophobicContact CB-CD2 4.03Å; L5-L138 HydrophobicContact CB-CD1 4.47Å; L8-L138 HydrophobicContact CD2-CD1 4.23Å; Y96-L138 HydrophobicContact CE2-CB 4.29Å; Y135-L138 PolarHBondContact O-N 3.46Å; Y135-L138 VanDerWaalsContact O-N 3.15Å; I136-L138 VanDerWaalsContact C-N 3.3Å; I136-L138 PolarHBondContact O-N 3.4Å; L138-V140 VanDerWaalsContact C-N 3.32Å; L138-V140 PolarHBondContact O-N 3.47Å; L138-A141 PolarHBondContact O-N 3.02Å; L138-M142 VanDerWaalsContact O-CB 3.31Å; L138-M142 WeakPolarHBondContact O-CB 3.34Å; L138-M142 PolarHBondContact O-N 3.18Å |
| 139 | K | 95.1 | Very high | 92 | Very high | 92 Ų | 92 | 51.7 Ų | 51.7 | 40% | 0.4 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 174.9 | -68.1 | -177.7 | -179.7 | -177.9 | 0 | 111.6 | Y135 I136 M142 F143 P343 | Y135-K139 PolarHBondContact O-N 3.4Å; I136-K139 WeakPolarHBondContact O-CB 3.33Å; I136-K139 PolarHBondContact O-N 3.48Å; I136-K139 VanDerWaalsContact O-N 3.11Å; K139-M142 PolarHBondContact O-N 3.18Å; K139-F143 WeakPolarHBondContact O-CB 3.48Å; K139-F143 VanDerWaalsContact O-CD2 3.25Å; K139-F143 WeakPolarHBondContact O-CD2 3.34Å; K139-F143 PolarHBondContact O-N 2.88Å; K139-P343 HydrophobicContact CB-CB 3.73Å; K139-P343 HydrophobicContact CB-CG 4.26Å |
| 140 | V | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 176.7 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | L95 M99 I136 P137 L138 M142 F143 Y144 A340 P343 V344 | L95-V140 HydrophobicContact CB-CG1 3.88Å; L95-V140 HydrophobicContact CD1-CG1 4.39Å; M99-V140 HydrophobicContact CG-CG1 4.24Å; M99-V140 HydrophobicContact CG-CG2 4.19Å; I136-V140 HydrophobicContact CG2-CG2 4.37Å; I136-V140 WeakPolarHBondContact O-CG2 3.26Å; I136-V140 PolarHBondContact O-N 3.31Å; P137-V140 PolarHBondContact O-N 2.92Å; L138-V140 VanDerWaalsContact C-N 3.32Å; L138-V140 PolarHBondContact O-N 3.47Å; V140-M142 VanDerWaalsContact C-N 3.31Å; V140-M142 PolarHBondContact O-N 3.14Å; V140-F143 PolarHBondContact O-N 2.89Å; V140-Y144 PolarHBondContact O-N 2.93Å; V140-A340 WeakPolarHBondContact CG1-O 3.16Å; V140-P343 HydrophobicContact CG2-CB 4.11Å; V140-P343 HydrophobicContact CG2-CG 4.44Å; V140-V344 HydrophobicContact CG2-CG2 3.51Å |
| 141 | A | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L5 L8 A92 Y96 P137 L138 Y144 L145 | L5-A141 HydrophobicContact CD1-CB 4.07Å; L8-A141 HydrophobicContact CD2-CB 4.05Å; A92-A141 HydrophobicContact CB-CB 4.43Å; Y96-A141 HydrophobicContact CD2-CB 4.49Å; P137-A141 PolarHBondContact O-N 2.88Å; P137-A141 VanDerWaalsContact O-N 3.14Å; L138-A141 PolarHBondContact O-N 3.02Å; A141-Y144 PolarHBondContact O-N 2.87Å; A141-L145 WeakPolarHBondContact O-CB 3.48Å; A141-L145 WeakPolarHBondContact O-CG 3.41Å; A141-L145 PolarHBondContact O-N 3.39Å |
| 142 | M | 95.8 | Very high | 94.1 | Very high | 76 Ų | 76 | 45.3 Ų | 45.3 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.3 | -46 | 177.7 | -175.5 | -177.1 | 77.8 | 0 | 0 | 111.9 | L8 L138 K139 V140 Y144 L145 L146 | L8-M142 HydrophobicContact CD1-CB 4.34Å; L8-M142 HydrophobicContact CD1-CG 4.21Å; L8-M142 HydrophobicContact CD2-CB 3.93Å; L138-M142 VanDerWaalsContact O-CB 3.31Å; L138-M142 WeakPolarHBondContact O-CB 3.34Å; L138-M142 PolarHBondContact O-N 3.18Å; K139-M142 PolarHBondContact O-N 3.18Å; V140-M142 VanDerWaalsContact C-N 3.31Å; V140-M142 PolarHBondContact O-N 3.14Å; M142-Y144 VanDerWaalsContact C-N 3.25Å; M142-Y144 PolarHBondContact O-N 2.99Å; M142-L145 PolarHBondContact O-N 2.65Å; M142-L146 HydrophobicContact CG-CD1 3.58Å; M142-L146 HydrophobicContact CG-CG 4.31Å; M142-L146 WeakPolarHBondContact O-CB 3.36Å; M142-L146 PolarHBondContact O-N 3.18Å |
| 143 | F | 95.3 | Very high | 94.7 | Very high | 99 Ų | 99 | 40.8 Ų | 40.8 | 43% | 0.434 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.2 | -31 | 176.6 | -95.1 | -109 | 0 | 0 | 0 | 112.3 | K139 V140 N147 P343 | K139-F143 WeakPolarHBondContact O-CB 3.48Å; K139-F143 VanDerWaalsContact O-CD2 3.25Å; K139-F143 WeakPolarHBondContact O-CD2 3.34Å; K139-F143 PolarHBondContact O-N 2.88Å; V140-F143 PolarHBondContact O-N 2.89Å; F143-N147 WeakPolarHBondContact O-CB 3.37Å; F143-P343 HydrophobicContact CB-CG 3.97Å; F143-P343 HydrophobicContact CD1-CG 3.92Å; F143-P343 HydrophobicContact CD2-CG 3.49Å; F143-P343 VanDerWaalsContact CD2-CG 3.49Å; F143-P343 HydrophobicContact CE1-CG 4.27Å; F143-P343 HydrophobicContact CE2-CG 3.87Å; F143-P343 HydrophobicContact CG-CG 3.5Å; F143-P343 HydrophobicContact CZ-CG 4.25Å |
| 144 | Y | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -75.9 | -53.7 | 173.7 | -175.5 | -97.1 | 0 | 0 | 0 | 111.8 | D88 T91 A92 L95 V140 A141 M142 L146 N147 T150 L337 A340 | D88-Y144 HydrophobicContact CB-CE1 4.36Å; D88-Y144 PolarHBondContact OD1-OH 3.19Å; T91-Y144 HydrophobicContact CG2-CD1 4.11Å; T91-Y144 HydrophobicContact CG2-CD2 4.12Å; T91-Y144 HydrophobicContact CG2-CE1 3.54Å; T91-Y144 HydrophobicContact CG2-CE2 3.54Å; T91-Y144 HydrophobicContact CG2-CG 4.37Å; T91-Y144 WeakPolarHBondContact CG2-OH 3.33Å; A92-Y144 HydrophobicContact CB-CD1 4.15Å; L95-Y144 HydrophobicContact CD1-CD2 4.46Å; V140-Y144 PolarHBondContact O-N 2.93Å; A141-Y144 PolarHBondContact O-N 2.87Å; M142-Y144 VanDerWaalsContact C-N 3.25Å; M142-Y144 PolarHBondContact O-N 2.99Å; Y144-L146 PolarHBondContact O-N 3.45Å; Y144-N147 WeakPolarHBondContact O-CB 3.37Å; Y144-N147 PolarHBondContact O-N 2.98Å; Y144-T150 HydrophobicContact CD1-CG2 4.42Å; Y144-T150 HydrophobicContact CD2-CG2 3.85Å; Y144-T150 HydrophobicContact CE1-CG2 4.2Å; Y144-T150 HydrophobicContact CE2-CG2 3.6Å; Y144-T150 HydrophobicContact CG-CG2 4.26Å; Y144-T150 WeakPolarHBondContact O-CB 3.36Å; Y144-T150 VanDerWaalsContact O-CG2 3.26Å; Y144-T150 WeakPolarHBondContact O-CG2 3.33Å; Y144-T150 PolarHBondContact O-OG1 3.41Å; Y144-L337 HydrophobicContact CE2-CD1 4.09Å; Y144-A340 HydrophobicContact CD2-CB 3.91Å; Y144-A340 HydrophobicContact CG-CB 4.31Å |
| 145 | L | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72 | -32 | -170 | -73.7 | 169.9 | 0 | 0 | 0 | 114.2 | L8 L9 A12 R16 A92 A141 M142 | L8-L145 HydrophobicContact CD2-CD1 4.06Å; L8-L145 HydrophobicContact CG-CD1 3.93Å; L9-L145 HydrophobicContact CD2-CD1 3.71Å; A12-L145 HydrophobicContact CB-CB 3.74Å; A12-L145 HydrophobicContact CB-CD1 4.09Å; A12-L145 HydrophobicContact CB-CD2 3.99Å; A12-L145 HydrophobicContact CB-CG 4.15Å; R16-L145 PolarHBondContact NH1-O 3.33Å; R16-L145 PolarHBondContact NH2-O 3.2Å; R16-L145 VanDerWaalsContact NH2-O 3.17Å; A92-L145 HydrophobicContact CB-CD1 3.57Å; A92-L145 HydrophobicContact CB-CD2 3.7Å; A92-L145 HydrophobicContact CB-CG 3.51Å; A141-L145 WeakPolarHBondContact O-CB 3.48Å; A141-L145 WeakPolarHBondContact O-CG 3.41Å; A141-L145 PolarHBondContact O-N 3.39Å; M142-L145 PolarHBondContact O-N 2.65Å |
| 146 | L | 96.1 | Very high | 95.9 | Very high | 75 Ų | 75 | 29 Ų | 29 | 39% | 0.393 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 4 | 179.5 | -53.5 | 179.2 | 0 | 0 | 0 | 112.5 | L8 I15 M142 Y144 | L8-L146 HydrophobicContact CD1-CD1 4.01Å; L8-L146 HydrophobicContact CD1-CD2 4.23Å; L8-L146 HydrophobicContact CD1-CG 4.05Å; I15-L146 HydrophobicContact CD1-CD2 4.42Å; M142-L146 HydrophobicContact CG-CD1 3.58Å; M142-L146 HydrophobicContact CG-CG 4.31Å; M142-L146 WeakPolarHBondContact O-CB 3.36Å; M142-L146 PolarHBondContact O-N 3.18Å; Y144-L146 PolarHBondContact O-N 3.45Å |
| 147 | N | 95.8 | Very high | 95.9 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | trans | -66 | 126.2 | 173.1 | -167.1 | -29.3 | 0 | 0 | 0 | 109.3 | F143 Y144 F149 T150 I151 | F143-N147 WeakPolarHBondContact O-CB 3.37Å; Y144-N147 WeakPolarHBondContact O-CB 3.37Å; Y144-N147 PolarHBondContact O-N 2.98Å; N147-F149 PolarHBondContact O-N 3.43Å; N147-F149 VanDerWaalsContact O-N 3.14Å; N147-F149 WeakPolarHBondContact OD1-CB 3.27Å; N147-F149 WeakPolarHBondContact OD1-CG 3.46Å; N147-F149 PolarHBondContact OD1-N 3.12Å; N147-T150 HydrophobicContact CB-CG2 4.15Å; N147-T150 PolarHBondContact O-N 3.46Å; N147-T150 PolarHBondContact O-OG1 3.3Å; N147-I151 WeakPolarHBondContact O-CG1 3.36Å; N147-I151 PolarHBondContact O-N 3.27Å | ||
| 148 | P | 95.3 | Very high | 95.9 | Very high | 80 Ų | 80 | 30.9 Ų | 30.9 | 52% | 0.519 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -54.7 | -33.8 | 174.4 | 22.6 | -34.3 | 0 | 0 | 0 | 112 | I151 L152 | P148-I151 PolarHBondContact O-N 2.99Å; P148-L152 WeakPolarHBondContact O-CB 3.46Å; P148-L152 WeakPolarHBondContact O-CG 3.27Å; P148-L152 PolarHBondContact O-N 3.04Å |
| 149 | F | 95.9 | Very high | 95.9 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 10% | 0.101 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 179.8 | -61.3 | -18.7 | 0 | 0 | 0 | 113.5 | N147 S153 V332 T335 A336 L339 S366 F394 | N147-F149 PolarHBondContact O-N 3.43Å; N147-F149 VanDerWaalsContact O-N 3.14Å; N147-F149 WeakPolarHBondContact OD1-CB 3.27Å; N147-F149 WeakPolarHBondContact OD1-CG 3.46Å; N147-F149 PolarHBondContact OD1-N 3.12Å; F149-S153 WeakPolarHBondContact O-CB 3.33Å; F149-S153 PolarHBondContact O-N 3.23Å; F149-S153 PolarHBondContact O-OG 3.25Å; F149-V332 HydrophobicContact CB-CB 3.87Å; F149-V332 HydrophobicContact CB-CG2 4.03Å; F149-V332 HydrophobicContact CD1-CB 3.81Å; F149-V332 HydrophobicContact CD1-CG1 4.12Å; F149-V332 HydrophobicContact CD1-CG2 4.2Å; F149-V332 HydrophobicContact CD2-CB 4.14Å; F149-V332 HydrophobicContact CE1-CB 4.35Å; F149-V332 HydrophobicContact CE1-CG1 4.19Å; F149-V332 HydrophobicContact CG-CB 3.7Å; F149-V332 HydrophobicContact CG-CG1 4.41Å; F149-V332 HydrophobicContact CG-CG2 4.24Å; F149-T335 WeakPolarHBondContact CD2-OG1 3.08Å; F149-A336 HydrophobicContact CB-CB 3.79Å; F149-L339 HydrophobicContact CD2-CD1 4.38Å; F149-L339 HydrophobicContact CE2-CD1 4.3Å; F149-S366 WeakPolarHBondContact CZ-OG 3.34Å; F149-F394 HydrophobicContact CE2-CZ 4.22Å; F149-F394 HydrophobicContact CZ-CE2 4.37Å; F149-F394 HydrophobicContact CZ-CZ 4.29Å |
| 150 | T | 96.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.7 | -38.7 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | R16 Y144 N147 S153 C154 A336 | R16-T150 PolarHBondContact NH2-OG1 3.47Å; R16-T150 VanDerWaalsContact NH2-OG1 3.14Å; Y144-T150 HydrophobicContact CD1-CG2 4.42Å; Y144-T150 HydrophobicContact CD2-CG2 3.85Å; Y144-T150 HydrophobicContact CE1-CG2 4.2Å; Y144-T150 HydrophobicContact CE2-CG2 3.6Å; Y144-T150 HydrophobicContact CG-CG2 4.26Å; Y144-T150 WeakPolarHBondContact O-CB 3.36Å; Y144-T150 VanDerWaalsContact O-CG2 3.26Å; Y144-T150 WeakPolarHBondContact O-CG2 3.33Å; Y144-T150 PolarHBondContact O-OG1 3.41Å; N147-T150 HydrophobicContact CB-CG2 4.15Å; N147-T150 PolarHBondContact O-N 3.46Å; N147-T150 PolarHBondContact O-OG1 3.3Å; T150-S153 PolarHBondContact O-N 3.18Å; T150-C154 VanDerWaalsContact O-CB 3.31Å; T150-C154 WeakPolarHBondContact O-CB 3.25Å; T150-C154 PolarHBondContact O-N 3.45Å; T150-A336 HydrophobicContact CG2-CB 3.48Å; T150-A336 VanDerWaalsContact CG2-CB 3.48Å |
| 151 | I | 96.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 24.6 Ų | 24.6 | 10% | 0.103 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -48.8 | 176.4 | -63.7 | 167.2 | 0 | 0 | 0 | 109.9 | I15 L19 N147 P148 C154 V155 | I15-I151 HydrophobicContact CG2-CD1 4.24Å; I15-I151 HydrophobicContact CG2-CG2 4.33Å; L19-I151 HydrophobicContact CD1-CG2 3.4Å; L19-I151 VanDerWaalsContact CD1-CG2 3.4Å; N147-I151 WeakPolarHBondContact O-CG1 3.36Å; N147-I151 PolarHBondContact O-N 3.27Å; P148-I151 PolarHBondContact O-N 2.99Å; I151-C154 PolarHBondContact O-N 3.23Å; I151-V155 HydrophobicContact CG2-CG2 4.44Å; I151-V155 WeakPolarHBondContact O-CB 3.34Å; I151-V155 VanDerWaalsContact O-CG2 3.23Å; I151-V155 WeakPolarHBondContact O-CG2 3.35Å; I151-V155 PolarHBondContact O-N 3.45Å |
| 152 | L | 95.9 | Very high | 95.8 | Very high | 58 Ų | 58 | 25.6 Ų | 25.6 | 30% | 0.304 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 178.2 | -69.6 | 173 | 0 | 0 | 0 | 111.8 | I28 V34 P148 C154 V155 A156 | I28-L152 HydrophobicContact CD1-CD2 3.72Å; I28-L152 HydrophobicContact CG1-CD2 3.87Å; I28-L152 HydrophobicContact CG2-CB 4.27Å; I28-L152 HydrophobicContact CG2-CD2 3.87Å; I28-L152 WeakPolarHBondContact CG2-O 3.45Å; V34-L152 HydrophobicContact CG1-CB 4.23Å; V34-L152 WeakPolarHBondContact CG1-O 3.45Å; V34-L152 HydrophobicContact CG2-CB 3.99Å; V34-L152 HydrophobicContact CG2-CD1 4.47Å; P148-L152 WeakPolarHBondContact O-CB 3.46Å; P148-L152 WeakPolarHBondContact O-CG 3.27Å; P148-L152 PolarHBondContact O-N 3.04Å; L152-C154 PolarHBondContact O-N 3.27Å; L152-V155 PolarHBondContact O-N 3.35Å; L152-A156 WeakPolarHBondContact O-CB 3.04Å; L152-A156 PolarHBondContact O-N 2.96Å |
| 153 | S | 95.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 178.1 | -68 | 0 | 0 | 0 | 0 | 113.1 | F149 T150 K157 S158 G333 | F149-S153 WeakPolarHBondContact O-CB 3.33Å; F149-S153 PolarHBondContact O-N 3.23Å; F149-S153 PolarHBondContact O-OG 3.25Å; T150-S153 PolarHBondContact O-N 3.18Å; S153-K157 PolarHBondContact O-N 3.13Å; S153-S158 WeakPolarHBondContact O-CB 3.25Å; S153-S158 PolarHBondContact O-N 3.41Å; S153-G333 WeakPolarHBondContact OG-CA 3.38Å; S153-G333 PolarHBondContact OG-N 3.48Å |
| 154 | C | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.2 | -41.8 | 174.8 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | R16 D88 T150 I151 L152 K157 | R16-C154 HydrophobicContact CG-CB 4.45Å; D88-C154 WeakPolarHBondContact OD2-CB 3.39Å; T150-C154 VanDerWaalsContact O-CB 3.31Å; T150-C154 WeakPolarHBondContact O-CB 3.25Å; T150-C154 PolarHBondContact O-N 3.45Å; I151-C154 PolarHBondContact O-N 3.23Å; L152-C154 PolarHBondContact O-N 3.27Å; C154-K157 PolarHBondContact O-N 3.18Å; C154-K157 VanDerWaalsContact O-N 3.1Å |
| 155 | V | 96.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.3 | -36.7 | 179.8 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | L19 N20 A25 I28 I151 L152 K157 | L19-V155 HydrophobicContact CB-CG2 3.69Å; L19-V155 HydrophobicContact CD1-CG2 4.38Å; N20-V155 WeakPolarHBondContact OD1-CA 3.31Å; N20-V155 PolarHBondContact OD1-O 3.01Å; A25-V155 HydrophobicContact CB-CG1 3.87Å; I28-V155 HydrophobicContact CB-CG1 4.38Å; I28-V155 HydrophobicContact CD1-CG1 3.89Å; I28-V155 HydrophobicContact CG2-CB 4.49Å; I28-V155 HydrophobicContact CG2-CG1 4.33Å; I151-V155 HydrophobicContact CG2-CG2 4.44Å; I151-V155 WeakPolarHBondContact O-CB 3.34Å; I151-V155 VanDerWaalsContact O-CG2 3.23Å; I151-V155 WeakPolarHBondContact O-CG2 3.35Å; I151-V155 PolarHBondContact O-N 3.45Å; L152-V155 PolarHBondContact O-N 3.35Å; V155-K157 PolarHBondContact O-N 3.19Å |
| 156 | A | 95.1 | Very high | 96 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 2% | 0.017 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -4.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114.3 | I28 A29 V34 V35 L152 S158 | I28-A156 HydrophobicContact CG2-CB 4.13Å; A29-A156 HydrophobicContact CB-CB 4.47Å; V34-A156 HydrophobicContact CB-CB 4.42Å; V34-A156 HydrophobicContact CG1-CB 3.43Å; V34-A156 VanDerWaalsContact CG1-CB 3.43Å; V35-A156 HydrophobicContact CG2-CB 3.72Å; L152-A156 WeakPolarHBondContact O-CB 3.04Å; L152-A156 PolarHBondContact O-N 2.96Å; A156-S158 PolarHBondContact O-N 3.42Å |
| 157 | K | 95.4 | Very high | 96.1 | Very high | 47 Ų | 47 | 16.8 Ų | 16.8 | 20% | 0.204 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 35.7 | -174.9 | -57.3 | 176 | -161.5 | -170.9 | 0 | 111.8 | W41 E81 F84 S153 C154 V155 | W41-K157 HydrophobicContact CB-CB 3.84Å; W41-K157 WeakPolarHBondContact CB-O 3.26Å; W41-K157 HydrophobicContact CD2-CB 3.95Å; W41-K157 HydrophobicContact CE3-CB 4.45Å; W41-K157 HydrophobicContact CG-CB 3.63Å; W41-K157 HydrophobicContact CG-CD 4.25Å; E81-K157 HydrophobicContact CG-CD 4.41Å; E81-K157 IonicContact OE1-NZ 3.94Å; E81-K157 PolarHBondContact OE1-NZ 2.86Å; F84-K157 HydrophobicContact CD2-CB 3.64Å; F84-K157 HydrophobicContact CD2-CG 3.94Å; F84-K157 HydrophobicContact CE2-CB 3.48Å; F84-K157 VanDerWaalsContact CE2-CB 3.48Å; F84-K157 HydrophobicContact CE2-CG 4.19Å; F84-K157 WeakPolarHBondContact CE2-O 3.38Å; F84-K157 HydrophobicContact CZ-CB 4.22Å; F84-K157 WeakPolarHBondContact CZ-O 3.26Å; S153-K157 PolarHBondContact O-N 3.13Å; C154-K157 PolarHBondContact O-N 3.18Å; C154-K157 VanDerWaalsContact O-N 3.1Å; V155-K157 PolarHBondContact O-N 3.19Å |
| 158 | S | 95.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -71.1 | 131.3 | -178.9 | 176 | 0 | 0 | 0 | 0 | 110.9 | T39 F84 S153 A156 C160 G161 | T39-S158 WeakPolarHBondContact CB-OG 3.49Å; T39-S158 WeakPolarHBondContact O-CA 3.47Å; F84-S158 VanDerWaalsContact CE1-O 3.24Å; F84-S158 WeakPolarHBondContact CE1-O 3.39Å; S153-S158 WeakPolarHBondContact O-CB 3.25Å; S153-S158 PolarHBondContact O-N 3.41Å; A156-S158 PolarHBondContact O-N 3.42Å; S158-C160 PolarHBondContact O-N 3.06Å; S158-C160 WeakPolarHBondContact OG-CB 3.23Å; S158-C160 PolarHBondContact OG-N 3.46Å; S158-G161 PolarHBondContact O-N 3.19Å; S158-G161 VanDerWaalsContact O-N 3.09Å | ||
| 159 | T | 94.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.1 | 176 | 61 | 0 | 0 | 0 | 0 | 112.9 | T39 V44 E65 I69 G161 L162 N163 | T39-T159 WeakPolarHBondContact CA-OG1 3.31Å; T39-T159 WeakPolarHBondContact CB-OG1 3.45Å; T39-T159 PolarHBondContact O-N 2.91Å; V44-T159 HydrophobicContact CG2-CG2 3.94Å; E65-T159 HydrophobicContact CG-CG2 4.31Å; E65-T159 VanDerWaalsContact OE1-CB 3.29Å; E65-T159 WeakPolarHBondContact OE1-CB 3.18Å; E65-T159 PolarHBondContact OE1-OG1 3.04Å; I69-T159 HydrophobicContact CG2-CG2 4.24Å; T159-G161 PolarHBondContact O-N 2.97Å; T159-G161 VanDerWaalsContact O-N 3.16Å; T159-L162 WeakPolarHBondContact O-CB 3.45Å; T159-L162 PolarHBondContact O-N 3Å; T159-N163 PolarHBondContact O-N 3.45Å |
| 160 | C | 94.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -51.9 | -35.6 | 170.6 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | T39 S158 L162 N163 N164 D334 | T39-C160 HydrophobicContact CG2-CB 4.25Å; S158-C160 PolarHBondContact O-N 3.06Å; S158-C160 WeakPolarHBondContact OG-CB 3.23Å; S158-C160 PolarHBondContact OG-N 3.46Å; C160-L162 VanDerWaalsContact C-N 3.31Å; C160-L162 PolarHBondContact O-N 3.34Å; C160-N163 PolarHBondContact O-N 2.9Å; C160-N164 WeakPolarHBondContact O-CB 3.46Å; C160-N164 VanDerWaalsContact O-CG 3.29Å; C160-N164 PolarHBondContact O-N 3.5Å; C160-D334 PolarHBondContact SG-N 3.22Å |
| 161 | G | 94.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 4% | 0.041 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S158 T159 A165 | S158-G161 PolarHBondContact O-N 3.19Å; S158-G161 VanDerWaalsContact O-N 3.09Å; T159-G161 PolarHBondContact O-N 2.97Å; T159-G161 VanDerWaalsContact O-N 3.16Å; G161-A165 PolarHBondContact O-N 3.38Å |
| 162 | L | 96.4 | Very high | 96.6 | Very high | 21 Ų | 21 | 13.3 Ų | 13.3 | 11% | 0.11 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.2 | -41.6 | 175.1 | -64.1 | 174.3 | 0 | 0 | 0 | 111.3 | I69 L72 F73 T83 F84 A87 T159 C160 N164 A165 V166 | I69-L162 HydrophobicContact CD1-CD1 3.75Å; L72-L162 HydrophobicContact CD2-CD1 4.42Å; F73-L162 HydrophobicContact CE2-CD1 3.54Å; F73-L162 HydrophobicContact CZ-CD1 3.69Å; T83-L162 HydrophobicContact CG2-CD2 4.35Å; F84-L162 HydrophobicContact CD1-CG 4.48Å; F84-L162 HydrophobicContact CE1-CD1 4.23Å; F84-L162 HydrophobicContact CE1-CG 4.14Å; A87-L162 HydrophobicContact CB-CD2 3.8Å; T159-L162 WeakPolarHBondContact O-CB 3.45Å; T159-L162 PolarHBondContact O-N 3Å; C160-L162 VanDerWaalsContact C-N 3.31Å; C160-L162 PolarHBondContact O-N 3.34Å; L162-N164 VanDerWaalsContact C-N 3.3Å; L162-N164 PolarHBondContact O-N 3.15Å; L162-A165 WeakPolarHBondContact O-CB 3.47Å; L162-A165 PolarHBondContact O-N 3.39Å; L162-A165 VanDerWaalsContact O-N 3.15Å; L162-V166 WeakPolarHBondContact O-CG2 3.37Å; L162-V166 PolarHBondContact O-N 3.49Å |
| 163 | N | 95.7 | Very high | 96.7 | Very high | 14 Ų | 14 | 11.1 Ų | 11.1 | 8% | 0.075 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 177 | -61 | -10.5 | 0 | 0 | 0 | 110.9 | T159 C160 A165 V166 L167 Q192 | T159-N163 PolarHBondContact O-N 3.45Å; C160-N163 PolarHBondContact O-N 2.9Å; N163-A165 VanDerWaalsContact C-N 3.34Å; N163-A165 PolarHBondContact O-N 2.71Å; N163-V166 PolarHBondContact O-N 3.26Å; N163-L167 WeakPolarHBondContact O-CB 3.46Å; N163-L167 WeakPolarHBondContact O-CG 3.16Å; N163-L167 PolarHBondContact O-N 3.08Å; N163-Q192 PolarHBondContact OD1-OE1 3.43Å |
| 164 | N | 96.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 10.9 Ų | 10.9 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 174.3 | -74.9 | -17.7 | 0 | 0 | 0 | 112.2 | C160 L162 L167 S168 G333 L337 | C160-N164 WeakPolarHBondContact O-CB 3.46Å; C160-N164 VanDerWaalsContact O-CG 3.29Å; C160-N164 PolarHBondContact O-N 3.5Å; L162-N164 VanDerWaalsContact C-N 3.3Å; L162-N164 PolarHBondContact O-N 3.15Å; N164-L167 PolarHBondContact O-N 3.49Å; N164-S168 WeakPolarHBondContact O-CB 3.43Å; N164-S168 PolarHBondContact O-N 2.94Å; N164-S168 PolarHBondContact O-OG 3.21Å; N164-G333 PolarHBondContact ND2-O 3.43Å; N164-L337 HydrophobicContact CB-CD1 4.22Å; N164-L337 WeakPolarHBondContact OD1-CD2 3.31Å |
| 165 | A | 97.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 10.8 Ų | 10.8 | 7% | 0.074 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A87 I90 T91 G161 L162 N163 L167 S168 L169 | A87-A165 HydrophobicContact CB-CB 4.24Å; I90-A165 HydrophobicContact CG2-CB 4.24Å; T91-A165 WeakPolarHBondContact OG1-CA 3.35Å; T91-A165 WeakPolarHBondContact OG1-CB 3.32Å; T91-A165 PolarHBondContact OG1-N 3.32Å; G161-A165 PolarHBondContact O-N 3.38Å; L162-A165 WeakPolarHBondContact O-CB 3.47Å; L162-A165 PolarHBondContact O-N 3.39Å; L162-A165 VanDerWaalsContact O-N 3.15Å; N163-A165 VanDerWaalsContact C-N 3.34Å; N163-A165 PolarHBondContact O-N 2.71Å; A165-L167 PolarHBondContact O-N 3.19Å; A165-S168 PolarHBondContact O-N 3.06Å; A165-S168 PolarHBondContact O-OG 3.15Å; A165-L169 WeakPolarHBondContact O-CG 3.47Å; A165-L169 PolarHBondContact O-N 3.11Å |
| 166 | V | 98 | Very high | 96.8 | Very high | 19 Ų | 19 | 16.2 Ų | 16.2 | 12% | 0.115 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | L162 N163 S168 L169 F170 F185 L188 A189 | L162-V166 WeakPolarHBondContact O-CG2 3.37Å; L162-V166 PolarHBondContact O-N 3.49Å; N163-V166 PolarHBondContact O-N 3.26Å; V166-S168 VanDerWaalsContact C-N 3.32Å; V166-S168 PolarHBondContact O-N 3.01Å; V166-L169 PolarHBondContact O-N 2.87Å; V166-F170 PolarHBondContact O-N 3.31Å; V166-F185 HydrophobicContact CG1-CD1 4.4Å; V166-F185 WeakPolarHBondContact CG1-O 3.31Å; V166-L188 HydrophobicContact CG1-CB 3.63Å; V166-A189 HydrophobicContact CG1-CB 3.96Å |
| 167 | L | 98.1 | Very high | 96.8 | Very high | 19 Ų | 19 | 16.8 Ų | 16.8 | 10% | 0.099 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.4 | -38.3 | 177.1 | -75.5 | 172.2 | 0 | 0 | 0 | 112.6 | N163 N164 A165 F170 V171 A189 P196 L199 L320 L337 | N163-L167 WeakPolarHBondContact O-CB 3.46Å; N163-L167 WeakPolarHBondContact O-CG 3.16Å; N163-L167 PolarHBondContact O-N 3.08Å; N164-L167 PolarHBondContact O-N 3.49Å; A165-L167 PolarHBondContact O-N 3.19Å; L167-F170 WeakPolarHBondContact O-CB 3.43Å; L167-F170 PolarHBondContact O-N 3.27Å; L167-V171 WeakPolarHBondContact O-CG2 3.16Å; L167-V171 PolarHBondContact O-N 3.13Å; L167-A189 HydrophobicContact CD2-CB 3.69Å; L167-A189 HydrophobicContact CG-CB 4.21Å; L167-P196 HydrophobicContact CD2-CB 4.16Å; L167-P196 HydrophobicContact CD2-CG 4.16Å; L167-L199 HydrophobicContact CD2-CD1 3.64Å; L167-L320 HydrophobicContact CD1-CD2 4.39Å; L167-L337 HydrophobicContact CB-CD2 3.9Å; L167-L337 HydrophobicContact CD1-CD2 3.65Å; L167-L337 HydrophobicContact CG-CD2 4.44Å |
| 168 | S | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.3 | -36.5 | 177.3 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | T91 A94 N164 A165 V166 V171 L172 | T91-S168 WeakPolarHBondContact CA-OG 3.25Å; A94-S168 WeakPolarHBondContact CB-OG 3.42Å; N164-S168 WeakPolarHBondContact O-CB 3.43Å; N164-S168 PolarHBondContact O-N 2.94Å; N164-S168 PolarHBondContact O-OG 3.21Å; A165-S168 PolarHBondContact O-N 3.06Å; A165-S168 PolarHBondContact O-OG 3.15Å; V166-S168 VanDerWaalsContact C-N 3.32Å; V166-S168 PolarHBondContact O-N 3.01Å; S168-V171 PolarHBondContact O-N 3.2Å; S168-L172 WeakPolarHBondContact O-CB 3.39Å; S168-L172 PolarHBondContact O-N 3.41Å |
| 169 | L | 98.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 18.5 Ų | 18.5 | 24% | 0.236 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.6 | -37.3 | 174 | -71.2 | 171.9 | 0 | 0 | 0 | 111.1 | I90 A94 A165 V166 L172 T173 F185 | I90-L169 HydrophobicContact CG2-CD1 4.03Å; I90-L169 HydrophobicContact CG2-CD2 4.18Å; I90-L169 HydrophobicContact CG2-CG 4.11Å; A94-L169 HydrophobicContact CB-CD2 4.09Å; A165-L169 WeakPolarHBondContact O-CG 3.47Å; A165-L169 PolarHBondContact O-N 3.11Å; V166-L169 PolarHBondContact O-N 2.87Å; L169-L172 HydrophobicContact CD2-CD2 4.37Å; L169-L172 PolarHBondContact O-N 2.98Å; L169-T173 WeakPolarHBondContact O-CB 3.41Å; L169-T173 WeakPolarHBondContact O-CG2 3.42Å; L169-T173 PolarHBondContact O-N 2.84Å; L169-T173 PolarHBondContact O-OG1 3.25Å; L169-F185 HydrophobicContact CB-CD1 3.74Å; L169-F185 HydrophobicContact CB-CD2 4.15Å; L169-F185 HydrophobicContact CB-CE1 3.73Å; L169-F185 HydrophobicContact CB-CE2 4.14Å; L169-F185 HydrophobicContact CB-CG 3.97Å; L169-F185 HydrophobicContact CB-CZ 3.94Å; L169-F185 HydrophobicContact CD1-CD1 4.23Å; L169-F185 HydrophobicContact CD1-CE1 3.54Å; L169-F185 HydrophobicContact CD1-CZ 3.92Å; L169-F185 HydrophobicContact CG-CE1 4.25Å; L169-F185 HydrophobicContact CG-CZ 4.41Å |
| 170 | F | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.8 | -49.9 | 168.9 | 161.4 | -107.9 | 0 | 0 | 0 | 111.5 | V166 L167 L172 T173 T174 S182 F185 L186 L199 A203 M316 | V166-F170 PolarHBondContact O-N 3.31Å; L167-F170 WeakPolarHBondContact O-CB 3.43Å; L167-F170 PolarHBondContact O-N 3.27Å; F170-L172 VanDerWaalsContact C-N 3.34Å; F170-L172 PolarHBondContact O-N 3.41Å; F170-T173 PolarHBondContact O-N 3.1Å; F170-T173 PolarHBondContact O-OG1 3.03Å; F170-T173 VanDerWaalsContact O-OG1 3.08Å; F170-T174 WeakPolarHBondContact CE2-OG1 3.45Å; F170-T174 VanDerWaalsContact O-CB 3.28Å; F170-T174 WeakPolarHBondContact O-CB 3.15Å; F170-T174 PolarHBondContact O-N 3.36Å; F170-T174 PolarHBondContact O-OG1 3.4Å; F170-S182 WeakPolarHBondContact CD2-O 3.37Å; F170-F185 HydrophobicContact CB-CB 3.72Å; F170-L186 HydrophobicContact CD2-CB 3.65Å; F170-L186 HydrophobicContact CD2-CD1 4.33Å; F170-L186 HydrophobicContact CD2-CG 4.48Å; F170-L186 HydrophobicContact CE1-CD1 4.32Å; F170-L186 HydrophobicContact CE2-CB 3.64Å; F170-L186 HydrophobicContact CE2-CD1 3.92Å; F170-L186 HydrophobicContact CE2-CD2 4.09Å; F170-L186 HydrophobicContact CE2-CG 4.08Å; F170-L186 HydrophobicContact CG-CB 4.47Å; F170-L186 HydrophobicContact CZ-CB 4.46Å; F170-L186 HydrophobicContact CZ-CD1 3.87Å; F170-L186 HydrophobicContact CZ-CD2 4.42Å; F170-L186 HydrophobicContact CZ-CG 4.48Å; F170-L199 HydrophobicContact CD1-CD1 4.42Å; F170-L199 HydrophobicContact CE1-CB 3.76Å; F170-L199 HydrophobicContact CE1-CD1 4.01Å; F170-L199 HydrophobicContact CE1-CG 4.39Å; F170-L199 HydrophobicContact CZ-CB 3.92Å; F170-A203 HydrophobicContact CE2-CB 3.7Å; F170-A203 HydrophobicContact CZ-CB 3.54Å; F170-M316 HydrophobicContact CE1-SD 4.41Å |
| 171 | V | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 177.4 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | A98 M99 L167 S168 I175 F341 | A98-V171 HydrophobicContact CB-CG1 4.25Å; M99-V171 HydrophobicContact CE-CG1 4.01Å; L167-V171 WeakPolarHBondContact O-CG2 3.16Å; L167-V171 PolarHBondContact O-N 3.13Å; S168-V171 PolarHBondContact O-N 3.2Å; V171-I175 HydrophobicContact CG1-CD1 3.74Å; V171-I175 WeakPolarHBondContact O-CB 3.46Å; V171-I175 WeakPolarHBondContact O-CG1 3.47Å; V171-I175 PolarHBondContact O-N 3.38Å; V171-F341 HydrophobicContact CG1-CE1 4.22Å; V171-F341 HydrophobicContact CG1-CZ 4.13Å; V171-F341 HydrophobicContact CG2-CZ 4.24Å |
| 172 | L | 98.3 | Very high | 97.2 | Very high | 23 Ų | 23 | 26 Ų | 26 | 12% | 0.12 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -50.2 | 177 | 173.5 | 64.3 | 0 | 0 | 0 | 112.5 | A94 V97 A98 S168 L169 F170 I175 K176 | A94-L172 HydrophobicContact CB-CB 4.36Å; A94-L172 HydrophobicContact CB-CD2 4.17Å; V97-L172 HydrophobicContact CB-CD1 3.82Å; V97-L172 HydrophobicContact CG1-CD1 3.61Å; A98-L172 HydrophobicContact CB-CB 4.15Å; A98-L172 HydrophobicContact CB-CD1 3.99Å; S168-L172 WeakPolarHBondContact O-CB 3.39Å; S168-L172 PolarHBondContact O-N 3.41Å; L169-L172 HydrophobicContact CD2-CD2 4.37Å; L169-L172 PolarHBondContact O-N 2.98Å; F170-L172 VanDerWaalsContact C-N 3.34Å; F170-L172 PolarHBondContact O-N 3.41Å; L172-I175 PolarHBondContact O-N 3.39Å; L172-K176 HydrophobicContact CD1-CD 4.32Å; L172-K176 HydrophobicContact CD1-CG 4.36Å; L172-K176 WeakPolarHBondContact O-CB 3.37Å; L172-K176 WeakPolarHBondContact O-CG 3.43Å; L172-K176 PolarHBondContact O-N 2.83Å |
| 173 | T | 97.9 | Very high | 97.3 | Very high | 11 Ų | 11 | 25 Ų | 25 | 7% | 0.067 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.8 | -35.9 | -177.1 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | L169 F170 K176 G177 N178 L181 S182 F185 | L169-T173 WeakPolarHBondContact O-CB 3.41Å; L169-T173 WeakPolarHBondContact O-CG2 3.42Å; L169-T173 PolarHBondContact O-N 2.84Å; L169-T173 PolarHBondContact O-OG1 3.25Å; F170-T173 PolarHBondContact O-N 3.1Å; F170-T173 PolarHBondContact O-OG1 3.03Å; F170-T173 VanDerWaalsContact O-OG1 3.08Å; T173-K176 PolarHBondContact O-N 2.91Å; T173-G177 PolarHBondContact O-N 3.44Å; T173-N178 PolarHBondContact O-N 3.47Å; T173-L181 HydrophobicContact CG2-CB 3.75Å; T173-L181 HydrophobicContact CG2-CD1 4.23Å; T173-S182 WeakPolarHBondContact OG1-CA 3.41Å; T173-F185 HydrophobicContact CG2-CD2 3.79Å; T173-F185 HydrophobicContact CG2-CE2 3.82Å |
| 174 | T | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58 | -52.2 | 169.6 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | F170 K176 G177 S182 A203 Y206 L207 M316 | F170-T174 WeakPolarHBondContact CE2-OG1 3.45Å; F170-T174 VanDerWaalsContact O-CB 3.28Å; F170-T174 WeakPolarHBondContact O-CB 3.15Å; F170-T174 PolarHBondContact O-N 3.36Å; F170-T174 PolarHBondContact O-OG1 3.4Å; T174-K176 VanDerWaalsContact C-N 3.33Å; T174-K176 PolarHBondContact O-N 2.85Å; T174-G177 WeakPolarHBondContact O-CA 3.44Å; T174-G177 PolarHBondContact O-N 3.41Å; T174-S182 PolarHBondContact OG1-OG 3.43Å; T174-A203 HydrophobicContact CG2-CB 4.03Å; T174-Y206 HydrophobicContact CG2-CD1 3.8Å; T174-Y206 HydrophobicContact CG2-CG 4.07Å; T174-Y206 VanDerWaalsContact O-CD1 3.28Å; T174-Y206 WeakPolarHBondContact O-CD1 3.13Å; T174-Y206 WeakPolarHBondContact O-CE1 3.38Å; T174-L207 HydrophobicContact CG2-CG 4.5Å; T174-M316 HydrophobicContact CG2-CE 4.37Å; T174-M316 HydrophobicContact CG2-SD 4.28Å |
| 175 | I | 97 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | -177.2 | -74.6 | 166.6 | 0 | 0 | 0 | 112.6 | A98 M99 D101 F102 Q105 V171 L172 G177 Y206 | A98-I175 HydrophobicContact CB-CD1 3.89Å; A98-I175 WeakPolarHBondContact O-CG2 3.45Å; M99-I175 HydrophobicContact CE-CD1 3.45Å; M99-I175 VanDerWaalsContact CE-CD1 3.45Å; D101-I175 HydrophobicContact CB-CG2 3.99Å; F102-I175 HydrophobicContact CB-CD1 4.24Å; F102-I175 HydrophobicContact CB-CG2 4.13Å; Q105-I175 PolarHBondContact NE2-O 2.86Å; V171-I175 HydrophobicContact CG1-CD1 3.74Å; V171-I175 WeakPolarHBondContact O-CB 3.46Å; V171-I175 WeakPolarHBondContact O-CG1 3.47Å; V171-I175 PolarHBondContact O-N 3.38Å; L172-I175 PolarHBondContact O-N 3.39Å; I175-G177 PolarHBondContact O-N 2.86Å; I175-Y206 WeakPolarHBondContact CA-OH 3.49Å; I175-Y206 HydrophobicContact CG1-CE2 4.43Å; I175-Y206 PolarHBondContact O-OH 3.49Å |
| 176 | K | 95.8 | Very high | 97.5 | Very high | 116 Ų | 116 | 28.4 Ų | 28.4 | 50% | 0.504 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.5 | 172.6 | -76.5 | -167.5 | 173.1 | -175.8 | 0 | 114 | L172 T173 T174 | L172-K176 HydrophobicContact CD1-CD 4.32Å; L172-K176 HydrophobicContact CD1-CG 4.36Å; L172-K176 WeakPolarHBondContact O-CB 3.37Å; L172-K176 WeakPolarHBondContact O-CG 3.43Å; L172-K176 PolarHBondContact O-N 2.83Å; T173-K176 PolarHBondContact O-N 2.91Å; T174-K176 VanDerWaalsContact C-N 3.33Å; T174-K176 PolarHBondContact O-N 2.85Å |
| 177 | G | 94.8 | Very high | 97.4 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 14.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T173 T174 I175 V179 | T173-G177 PolarHBondContact O-N 3.44Å; T174-G177 WeakPolarHBondContact O-CA 3.44Å; T174-G177 PolarHBondContact O-N 3.41Å; I175-G177 PolarHBondContact O-N 2.86Å; G177-V179 PolarHBondContact O-N 2.83Å |
| 178 | N | 96 | Very high | 97.4 | Very high | 68 Ų | 68 | 28.7 Ų | 28.7 | 36% | 0.364 | 15% | 0.148 | S | C | . | . | trans | -85.5 | 102.4 | 178 | -170.8 | -30.7 | 0 | 0 | 0 | 110.3 | T173 L180 L181 S182 | T173-N178 PolarHBondContact O-N 3.47Å; N178-L180 PolarHBondContact OD1-N 3.28Å; N178-L181 HydrophobicContact CB-CB 4.29Å; N178-L181 VanDerWaalsContact ND2-CD1 3.27Å; N178-L181 WeakPolarHBondContact ND2-CD1 3.28Å; N178-L181 WeakPolarHBondContact ND2-CG 3.04Å; N178-L181 PolarHBondContact OD1-N 3.31Å; N178-L181 VanDerWaalsContact OD1-N 3.15Å; N178-S182 WeakPolarHBondContact O-CB 3.44Å; N178-S182 PolarHBondContact O-N 3.02Å | ||
| 179 | V | 96.3 | Very high | 97.3 | Very high | 15 Ų | 15 | 28.7 Ų | 28.7 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | -175.7 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | G177 A183 L207 F225 Y229 M232 | G177-V179 PolarHBondContact O-N 2.83Å; V179-A183 WeakPolarHBondContact O-CB 3.39Å; V179-A183 PolarHBondContact O-N 3.41Å; V179-L207 HydrophobicContact CG1-CD1 4.41Å; V179-L207 HydrophobicContact CG2-CD1 4.42Å; V179-L207 HydrophobicContact CG2-CD2 4.39Å; V179-F225 HydrophobicContact CG1-CZ 4.3Å; V179-F225 HydrophobicContact CG2-CE2 4.3Å; V179-F225 HydrophobicContact CG2-CZ 4.3Å; V179-Y229 HydrophobicContact CG1-CD2 3.67Å; V179-Y229 HydrophobicContact CG1-CE2 4.26Å; V179-M232 HydrophobicContact CG1-SD 3.91Å |
| 180 | L | 96.5 | Very high | 97.3 | Very high | 92 Ų | 92 | 27 Ų | 27 | 48% | 0.482 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -68 | -50.1 | -176.3 | 178.3 | 64 | 0 | 0 | 0 | 111.4 | N178 S182 A183 I184 M232 | N178-L180 PolarHBondContact OD1-N 3.28Å; L180-S182 VanDerWaalsContact C-N 3.31Å; L180-S182 PolarHBondContact O-N 3.36Å; L180-A183 PolarHBondContact O-N 2.81Å; L180-I184 HydrophobicContact CD1-CD1 4.12Å; L180-I184 HydrophobicContact CD1-CG1 4.46Å; L180-I184 HydrophobicContact CG-CD1 3.94Å; L180-I184 WeakPolarHBondContact O-CG1 3.48Å; L180-I184 PolarHBondContact O-N 3.22Å; L180-M232 HydrophobicContact CD1-CG 4.38Å; L180-M232 HydrophobicContact CD1-SD 4.39Å |
| 181 | L | 97.3 | Very high | 97.1 | Very high | 69 Ų | 69 | 27 Ų | 27 | 36% | 0.361 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64.9 | -37.6 | 179.6 | -68.1 | -178.4 | 0 | 0 | 0 | 111.7 | T173 N178 A183 I184 F185 | T173-L181 HydrophobicContact CG2-CB 3.75Å; T173-L181 HydrophobicContact CG2-CD1 4.23Å; N178-L181 HydrophobicContact CB-CB 4.29Å; N178-L181 VanDerWaalsContact ND2-CD1 3.27Å; N178-L181 WeakPolarHBondContact ND2-CD1 3.28Å; N178-L181 WeakPolarHBondContact ND2-CG 3.04Å; N178-L181 PolarHBondContact OD1-N 3.31Å; N178-L181 VanDerWaalsContact OD1-N 3.15Å; L181-A183 VanDerWaalsContact C-N 3.33Å; L181-A183 PolarHBondContact O-N 2.81Å; L181-I184 HydrophobicContact CD2-CD1 4.45Å; L181-I184 PolarHBondContact O-N 3.46Å; L181-F185 HydrophobicContact CB-CD2 4.48Å; L181-F185 VanDerWaalsContact O-CD2 3.24Å; L181-F185 WeakPolarHBondContact O-CD2 3.49Å; L181-F185 PolarHBondContact O-N 3.1Å |
| 182 | S | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.9 | -47.2 | 172.2 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | F170 T173 T174 N178 L180 I184 L186 Y229 | F170-S182 WeakPolarHBondContact CD2-O 3.37Å; T173-S182 WeakPolarHBondContact OG1-CA 3.41Å; T174-S182 PolarHBondContact OG1-OG 3.43Å; N178-S182 WeakPolarHBondContact O-CB 3.44Å; N178-S182 PolarHBondContact O-N 3.02Å; L180-S182 VanDerWaalsContact C-N 3.31Å; L180-S182 PolarHBondContact O-N 3.36Å; S182-I184 PolarHBondContact O-N 3.13Å; S182-L186 VanDerWaalsContact O-CB 3.25Å; S182-L186 WeakPolarHBondContact O-CB 3.47Å; S182-L186 PolarHBondContact O-N 3.35Å; S182-Y229 PolarHBondContact OG-OH 3.08Å |
| 183 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V179 L180 L181 C187 Y229 M232 | V179-A183 WeakPolarHBondContact O-CB 3.39Å; V179-A183 PolarHBondContact O-N 3.41Å; L180-A183 PolarHBondContact O-N 2.81Å; L181-A183 VanDerWaalsContact C-N 3.33Å; L181-A183 PolarHBondContact O-N 2.81Å; A183-C187 WeakPolarHBondContact O-CB 3.39Å; A183-C187 PolarHBondContact O-N 3.49Å; A183-Y229 HydrophobicContact CB-CE2 4.06Å; A183-M232 HydrophobicContact CB-CB 3.9Å |
| 184 | I | 98.1 | Very high | 96.4 | Very high | 56 Ų | 56 | 28.6 Ų | 28.6 | 29% | 0.287 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.8 | -48.1 | 178.6 | -67.7 | 167.1 | 0 | 0 | 0 | 111.5 | L180 L181 S182 C187 L188 | L180-I184 HydrophobicContact CD1-CD1 4.12Å; L180-I184 HydrophobicContact CD1-CG1 4.46Å; L180-I184 HydrophobicContact CG-CD1 3.94Å; L180-I184 WeakPolarHBondContact O-CG1 3.48Å; L180-I184 PolarHBondContact O-N 3.22Å; L181-I184 HydrophobicContact CD2-CD1 4.45Å; L181-I184 PolarHBondContact O-N 3.46Å; S182-I184 PolarHBondContact O-N 3.13Å; I184-C187 WeakPolarHBondContact O-CB 3.36Å; I184-C187 PolarHBondContact O-N 3.45Å; I184-L188 HydrophobicContact CG2-CD1 4.24Å; I184-L188 WeakPolarHBondContact O-CG 3.42Å; I184-L188 PolarHBondContact O-N 3.43Å |
| 185 | F | 98.3 | Very high | 96.3 | Very high | 43 Ų | 43 | 28.6 Ų | 28.6 | 19% | 0.189 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70 | -35 | 179.6 | -75.9 | -65.3 | 0 | 0 | 0 | 112.5 | V166 L169 F170 T173 L181 C187 L188 A189 | V166-F185 HydrophobicContact CG1-CD1 4.4Å; V166-F185 WeakPolarHBondContact CG1-O 3.31Å; L169-F185 HydrophobicContact CB-CD1 3.74Å; L169-F185 HydrophobicContact CB-CD2 4.15Å; L169-F185 HydrophobicContact CB-CE1 3.73Å; L169-F185 HydrophobicContact CB-CE2 4.14Å; L169-F185 HydrophobicContact CB-CG 3.97Å; L169-F185 HydrophobicContact CB-CZ 3.94Å; L169-F185 HydrophobicContact CD1-CD1 4.23Å; L169-F185 HydrophobicContact CD1-CE1 3.54Å; L169-F185 HydrophobicContact CD1-CZ 3.92Å; L169-F185 HydrophobicContact CG-CE1 4.25Å; L169-F185 HydrophobicContact CG-CZ 4.41Å; F170-F185 HydrophobicContact CB-CB 3.72Å; T173-F185 HydrophobicContact CG2-CD2 3.79Å; T173-F185 HydrophobicContact CG2-CE2 3.82Å; L181-F185 HydrophobicContact CB-CD2 4.48Å; L181-F185 VanDerWaalsContact O-CD2 3.24Å; L181-F185 WeakPolarHBondContact O-CD2 3.49Å; L181-F185 PolarHBondContact O-N 3.1Å; F185-C187 VanDerWaalsContact C-N 3.3Å; F185-L188 HydrophobicContact CD1-CD1 4.16Å; F185-L188 HydrophobicContact CE1-CD1 4.49Å; F185-L188 PolarHBondContact O-N 3.1Å; F185-A189 WeakPolarHBondContact O-CB 3.34Å; F185-A189 PolarHBondContact O-N 3.24Å |
| 186 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 171.2 | -176.7 | 59.3 | 0 | 0 | 0 | 111.1 | F170 S182 A189 T190 P196 L199 C200 Y229 Y233 | F170-L186 HydrophobicContact CD2-CB 3.65Å; F170-L186 HydrophobicContact CD2-CD1 4.33Å; F170-L186 HydrophobicContact CD2-CG 4.48Å; F170-L186 HydrophobicContact CE1-CD1 4.32Å; F170-L186 HydrophobicContact CE2-CB 3.64Å; F170-L186 HydrophobicContact CE2-CD1 3.92Å; F170-L186 HydrophobicContact CE2-CD2 4.09Å; F170-L186 HydrophobicContact CE2-CG 4.08Å; F170-L186 HydrophobicContact CG-CB 4.47Å; F170-L186 HydrophobicContact CZ-CB 4.46Å; F170-L186 HydrophobicContact CZ-CD1 3.87Å; F170-L186 HydrophobicContact CZ-CD2 4.42Å; F170-L186 HydrophobicContact CZ-CG 4.48Å; S182-L186 VanDerWaalsContact O-CB 3.25Å; S182-L186 WeakPolarHBondContact O-CB 3.47Å; S182-L186 PolarHBondContact O-N 3.35Å; L186-A189 PolarHBondContact O-N 3.32Å; L186-T190 PolarHBondContact O-N 2.82Å; L186-T190 PolarHBondContact O-OG1 2.94Å; L186-T190 VanDerWaalsContact O-OG1 3.08Å; L186-P196 WeakPolarHBondContact CD1-O 3.34Å; L186-L199 HydrophobicContact CD1-CB 3.9Å; L186-C200 HydrophobicContact CD2-CB 3.77Å; L186-Y229 HydrophobicContact CD2-CE1 4.24Å; L186-Y233 HydrophobicContact CB-CD2 4.25Å; L186-Y233 HydrophobicContact CB-CE2 4.21Å; L186-Y233 HydrophobicContact CD2-CD2 4.02Å; L186-Y233 HydrophobicContact CD2-CE2 3.99Å; L186-Y233 HydrophobicContact CG-CD2 4.06Å; L186-Y233 HydrophobicContact CG-CE2 3.71Å |
| 187 | C | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 175.9 | 167.2 | 0 | 0 | 0 | 0 | 111.8 | A183 I184 F185 A189 T190 Y191 Y233 S236 L237 I240 | A183-C187 WeakPolarHBondContact O-CB 3.39Å; A183-C187 PolarHBondContact O-N 3.49Å; I184-C187 WeakPolarHBondContact O-CB 3.36Å; I184-C187 PolarHBondContact O-N 3.45Å; F185-C187 VanDerWaalsContact C-N 3.3Å; C187-A189 VanDerWaalsContact C-N 3.28Å; C187-A189 PolarHBondContact O-N 2.88Å; C187-T190 PolarHBondContact O-N 3.27Å; C187-Y191 VanDerWaalsContact O-CB 3.27Å; C187-Y191 WeakPolarHBondContact O-CB 3.42Å; C187-Y191 PolarHBondContact O-N 3.28Å; C187-Y233 HydrophobicContact CB-CD2 4Å; C187-Y233 HydrophobicContact CB-CE2 4.02Å; C187-S236 WeakPolarHBondContact CB-OG 3.26Å; C187-S236 PolarHBondContact SG-OG 3.16Å; C187-S236 VanDerWaalsContact SG-OG 3.39Å; C187-L237 WeakPolarHBondContact SG-CA 3.4Å; C187-L237 PolarHBondContact SG-N 3.42Å; C187-I240 WeakPolarHBondContact SG-CD1 3.48Å |
| 188 | L | 97.1 | Very high | 96.4 | Very high | 44 Ų | 44 | 26.4 Ų | 26.4 | 23% | 0.23 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58 | -41.4 | 175.5 | -73.4 | 168.6 | 0 | 0 | 0 | 111.7 | V166 I184 F185 Y191 Q192 I240 | V166-L188 HydrophobicContact CG1-CB 3.63Å; I184-L188 HydrophobicContact CG2-CD1 4.24Å; I184-L188 WeakPolarHBondContact O-CG 3.42Å; I184-L188 PolarHBondContact O-N 3.43Å; F185-L188 HydrophobicContact CD1-CD1 4.16Å; F185-L188 HydrophobicContact CE1-CD1 4.49Å; F185-L188 PolarHBondContact O-N 3.1Å; L188-Y191 PolarHBondContact O-N 3.34Å; L188-Q192 WeakPolarHBondContact O-CG 3.22Å; L188-Q192 PolarHBondContact O-N 3.41Å; L188-I240 HydrophobicContact CD2-CD1 3.54Å; L188-I240 HydrophobicContact CD2-CG1 4.44Å; L188-I240 HydrophobicContact CG-CD1 3.98Å |
| 189 | A | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V166 L167 F185 L186 C187 Y191 Q192 S193 P196 | V166-A189 HydrophobicContact CG1-CB 3.96Å; L167-A189 HydrophobicContact CD2-CB 3.69Å; L167-A189 HydrophobicContact CG-CB 4.21Å; F185-A189 WeakPolarHBondContact O-CB 3.34Å; F185-A189 PolarHBondContact O-N 3.24Å; L186-A189 PolarHBondContact O-N 3.32Å; C187-A189 VanDerWaalsContact C-N 3.28Å; C187-A189 PolarHBondContact O-N 2.88Å; A189-Y191 VanDerWaalsContact C-N 3.3Å; A189-Y191 PolarHBondContact O-N 3.39Å; A189-Q192 PolarHBondContact O-N 2.81Å; A189-S193 PolarHBondContact O-N 3.38Å; A189-P196 HydrophobicContact CB-CB 3.83Å; A189-P196 HydrophobicContact CB-CG 4.16Å |
| 190 | T | 96.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 6% | 0.055 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.5 | -33.8 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | L186 C187 S193 L197 Y233 | L186-T190 PolarHBondContact O-N 2.82Å; L186-T190 PolarHBondContact O-OG1 2.94Å; L186-T190 VanDerWaalsContact O-OG1 3.08Å; C187-T190 PolarHBondContact O-N 3.27Å; T190-S193 CarbonylContact C-O 3.35Å; T190-S193 VanDerWaalsContact C-O 3.28Å; T190-S193 WeakPolarHBondContact CA-O 3.21Å; T190-S193 CarbonylContact O-C 3.46Å; T190-S193 PolarHBondContact O-N 2.89Å; T190-L197 HydrophobicContact CG2-CB 4.08Å; T190-L197 PolarHBondContact OG1-N 2.9Å; T190-Y233 VanDerWaalsContact CB-OH 3.23Å; T190-Y233 WeakPolarHBondContact CB-OH 3.49Å; T190-Y233 VanDerWaalsContact CG2-OH 3.23Å; T190-Y233 WeakPolarHBondContact CG2-OH 3.36Å; T190-Y233 PolarHBondContact OG1-OH 2.97Å |
| 191 | Y | 96.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.9 | -40.7 | 176.9 | 172.3 | -97.3 | 0 | 0 | 0 | 111.2 | T66 P67 L68 C187 L188 A189 I240 V241 S244 Y258 | T66-Y191 HydrophobicContact CG2-CD1 3.91Å; T66-Y191 HydrophobicContact CG2-CE1 3.63Å; T66-Y191 WeakPolarHBondContact CG2-O 3.3Å; P67-Y191 WeakPolarHBondContact CD-OH 3.5Å; L68-Y191 HydrophobicContact CB-CE1 3.99Å; L68-Y191 HydrophobicContact CD1-CD1 4.23Å; L68-Y191 HydrophobicContact CD1-CE1 3.69Å; L68-Y191 HydrophobicContact CG-CE1 3.78Å; L68-Y191 PolarHBondContact N-OH 3.42Å; C187-Y191 VanDerWaalsContact O-CB 3.27Å; C187-Y191 WeakPolarHBondContact O-CB 3.42Å; C187-Y191 PolarHBondContact O-N 3.28Å; L188-Y191 PolarHBondContact O-N 3.34Å; A189-Y191 VanDerWaalsContact C-N 3.3Å; A189-Y191 PolarHBondContact O-N 3.39Å; Y191-I240 HydrophobicContact CD1-CG2 3.85Å; Y191-I240 HydrophobicContact CD2-CG2 3.45Å; Y191-I240 VanDerWaalsContact CD2-CG2 3.45Å; Y191-I240 HydrophobicContact CE1-CG2 4.01Å; Y191-I240 HydrophobicContact CE2-CG2 3.6Å; Y191-I240 HydrophobicContact CG-CG2 3.56Å; Y191-V241 HydrophobicContact CD2-CG2 4.29Å; Y191-V241 HydrophobicContact CE2-CG2 4.45Å; Y191-S244 WeakPolarHBondContact CE2-OG 3.35Å; Y191-S244 VanDerWaalsContact CZ-OG 3.28Å; Y191-S244 PolarHBondContact OH-OG 3.16Å; Y191-Y258 WeakPolarHBondContact CA-OH 3.46Å; Y191-Y258 WeakPolarHBondContact CD2-OH 3.5Å; Y191-Y258 PolarHBondContact O-OH 2.84Å |
| 192 | Q | 93.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 17 Ų | 17 | 9% | 0.093 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.7 | -38 | 173.8 | -73.5 | 172.3 | -24.5 | 0 | 0 | 112.9 | N163 L188 A189 | N163-Q192 PolarHBondContact OD1-OE1 3.43Å; L188-Q192 WeakPolarHBondContact O-CG 3.22Å; L188-Q192 PolarHBondContact O-N 3.41Å; A189-Q192 PolarHBondContact O-N 2.81Å |
| 193 | S | 91.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 17 Ų | 17 | 9% | 0.091 | 9% | 0.094 | C | C | . | . | trans | -151.4 | 137.7 | 177.1 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | A189 T190 Y195 P196 | A189-S193 PolarHBondContact O-N 3.38Å; T190-S193 CarbonylContact C-O 3.35Å; T190-S193 VanDerWaalsContact C-O 3.28Å; T190-S193 WeakPolarHBondContact CA-O 3.21Å; T190-S193 CarbonylContact O-C 3.46Å; T190-S193 PolarHBondContact O-N 2.89Å; S193-Y195 VanDerWaalsContact C-N 3.28Å; S193-Y195 PolarHBondContact O-N 3.21Å; S193-Y195 WeakPolarHBondContact OG-CD2 3.23Å; S193-P196 WeakPolarHBondContact O-CD 3.43Å | ||
| 194 | I | 93.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 18.1 Ų | 18.1 | 19% | 0.19 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -66.4 | -26.2 | -172.9 | -161.2 | 165.9 | 0 | 0 | 0 | 114.3 | L197 Y258 I261 L262 | I194-L197 VanDerWaalsContact O-CB 3.22Å; I194-L197 WeakPolarHBondContact O-CB 3.36Å; I194-L197 PolarHBondContact O-N 3.02Å; I194-Y258 HydrophobicContact CB-CD1 4.44Å; I194-I261 HydrophobicContact CG2-CG2 3.94Å; I194-L262 HydrophobicContact CD1-CD1 4.37Å |
| 195 | Y | 95.6 | Very high | 96 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -67.8 | -39.1 | -170.5 | -54.6 | -68.4 | 0 | 0 | 0 | 115.7 | S193 L197 T198 I261 Q294 V297 F298 K327 S328 | S193-Y195 VanDerWaalsContact C-N 3.28Å; S193-Y195 PolarHBondContact O-N 3.21Å; S193-Y195 WeakPolarHBondContact OG-CD2 3.23Å; Y195-L197 PolarHBondContact O-N 3.34Å; Y195-T198 PolarHBondContact O-N 3.23Å; Y195-T198 VanDerWaalsContact O-N 3.12Å; Y195-T198 PolarHBondContact O-OG1 3.42Å; Y195-I261 HydrophobicContact CE2-CG2 3.59Å; Y195-I261 WeakPolarHBondContact OH-CG2 3.36Å; Y195-Q294 PolarHBondContact OH-OE1 2.95Å; Y195-V297 HydrophobicContact CD1-CB 4.08Å; Y195-V297 HydrophobicContact CD1-CG1 3.73Å; Y195-V297 HydrophobicContact CD1-CG2 3.92Å; Y195-V297 HydrophobicContact CE1-CB 4.48Å; Y195-V297 HydrophobicContact CE1-CG2 3.97Å; Y195-V297 HydrophobicContact CG-CG1 4.35Å; Y195-F298 HydrophobicContact CD1-CZ 4.33Å; Y195-K327 HydrophobicContact CD2-CB 4.18Å; Y195-K327 HydrophobicContact CD2-CD 4.36Å; Y195-K327 HydrophobicContact CD2-CG 3.8Å; Y195-K327 HydrophobicContact CE2-CB 4.15Å; Y195-K327 HydrophobicContact CE2-CG 3.63Å; Y195-S328 VanDerWaalsContact OH-CB 3.32Å; Y195-S328 WeakPolarHBondContact OH-CB 3.14Å; Y195-S328 PolarHBondContact OH-N 2.95Å; Y195-S328 PolarHBondContact OH-OG 3.44Å |
| 196 | P | 96.3 | Very high | 95.9 | Very high | 7 Ų | 7 | 14.9 Ų | 14.9 | 5% | 0.045 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -46.5 | -20 | 168.6 | -34.9 | 32 | 0 | 0 | 0 | 116.6 | L167 L186 A189 S193 T198 L199 | L167-P196 HydrophobicContact CD2-CB 4.16Å; L167-P196 HydrophobicContact CD2-CG 4.16Å; L186-P196 WeakPolarHBondContact CD1-O 3.34Å; A189-P196 HydrophobicContact CB-CB 3.83Å; A189-P196 HydrophobicContact CB-CG 4.16Å; S193-P196 WeakPolarHBondContact O-CD 3.43Å; P196-T198 PolarHBondContact O-N 3.39Å; P196-L199 HydrophobicContact CB-CD1 4.4Å; P196-L199 VanDerWaalsContact O-CB 3.26Å; P196-L199 WeakPolarHBondContact O-CB 3.41Å; P196-L199 PolarHBondContact O-N 2.99Å |
| 197 | L | 96.2 | Very high | 95.8 | Very high | 69 Ų | 69 | 14.9 Ų | 14.9 | 36% | 0.361 | 8% | 0.084 | S | C | . | . | G | 310 helix | trans | -48.4 | -35.9 | 172.1 | 177.7 | 66.9 | 0 | 0 | 0 | 112.7 | T190 I194 Y195 L199 C200 Y233 F298 | T190-L197 HydrophobicContact CG2-CB 4.08Å; T190-L197 PolarHBondContact OG1-N 2.9Å; I194-L197 VanDerWaalsContact O-CB 3.22Å; I194-L197 WeakPolarHBondContact O-CB 3.36Å; I194-L197 PolarHBondContact O-N 3.02Å; Y195-L197 PolarHBondContact O-N 3.34Å; L197-L199 PolarHBondContact O-N 3.45Å; L197-C200 WeakPolarHBondContact O-CB 3.37Å; L197-C200 PolarHBondContact O-N 3.44Å; L197-Y233 HydrophobicContact CD1-CE1 3.84Å; L197-Y233 WeakPolarHBondContact CD1-OH 3.4Å; L197-F298 HydrophobicContact CD2-CE1 4.43Å |
| 198 | T | 96.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 15 Ų | 15 | 4% | 0.043 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -62.9 | -23.2 | 178.8 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | Y195 P196 C200 P202 F298 T301 Q319 I323 | Y195-T198 PolarHBondContact O-N 3.23Å; Y195-T198 VanDerWaalsContact O-N 3.12Å; Y195-T198 PolarHBondContact O-OG1 3.42Å; P196-T198 PolarHBondContact O-N 3.39Å; T198-C200 PolarHBondContact O-N 3.33Å; T198-P202 VanDerWaalsContact O-CD 3.3Å; T198-P202 WeakPolarHBondContact O-CD 3.31Å; T198-F298 HydrophobicContact CG2-CD1 3.49Å; T198-F298 VanDerWaalsContact CG2-CD1 3.49Å; T198-F298 HydrophobicContact CG2-CE1 3.96Å; T198-F298 HydrophobicContact CG2-CG 4.37Å; T198-T301 WeakPolarHBondContact CG2-OG1 3.42Å; T198-Q319 VanDerWaalsContact OG1-CG 3.28Å; T198-Q319 WeakPolarHBondContact OG1-CG 3.21Å; T198-Q319 PolarHBondContact OG1-NE2 3.43Å; T198-I323 WeakPolarHBondContact OG1-CD1 3.19Å |
| 199 | L | 97 | Very high | 95.5 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -73.4 | -10.1 | 175.4 | -61.2 | 168.7 | 0 | 0 | 0 | 113.2 | L167 F170 L186 P196 L197 A201 P202 A203 Q319 L320 I323 | L167-L199 HydrophobicContact CD2-CD1 3.64Å; F170-L199 HydrophobicContact CD1-CD1 4.42Å; F170-L199 HydrophobicContact CE1-CB 3.76Å; F170-L199 HydrophobicContact CE1-CD1 4.01Å; F170-L199 HydrophobicContact CE1-CG 4.39Å; F170-L199 HydrophobicContact CZ-CB 3.92Å; L186-L199 HydrophobicContact CD1-CB 3.9Å; P196-L199 HydrophobicContact CB-CD1 4.4Å; P196-L199 VanDerWaalsContact O-CB 3.26Å; P196-L199 WeakPolarHBondContact O-CB 3.41Å; P196-L199 PolarHBondContact O-N 2.99Å; L197-L199 PolarHBondContact O-N 3.45Å; L199-A201 VanDerWaalsContact C-N 3.3Å; L199-A201 PolarHBondContact O-N 3.22Å; L199-P202 HydrophobicContact CD2-CG 4.42Å; L199-P202 VanDerWaalsContact O-CD 3.3Å; L199-P202 WeakPolarHBondContact O-CD 3.45Å; L199-P202 WeakPolarHBondContact O-CG 3.27Å; L199-A203 WeakPolarHBondContact O-CB 3.41Å; L199-A203 PolarHBondContact O-N 2.69Å; L199-A203 VanDerWaalsContact O-N 3.14Å; L199-Q319 HydrophobicContact CD2-CB 3.78Å; L199-Q319 HydrophobicContact CD2-CG 3.86Å; L199-Q319 HydrophobicContact CG-CG 4.43Å; L199-L320 HydrophobicContact CD1-CD2 3.81Å; L199-L320 HydrophobicContact CD2-CD2 4.23Å; L199-L320 HydrophobicContact CD2-CG 4.18Å; L199-I323 HydrophobicContact CD1-CD1 4.31Å; L199-I323 HydrophobicContact CG-CD1 4.15Å |
| 200 | C | 96.7 | Very high | 95.2 | Very high | 13 Ų | 13 | 18.2 Ų | 18.2 | 9% | 0.088 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.1 | -45.6 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | L186 L197 T198 A203 M204 | L186-C200 HydrophobicContact CD2-CB 3.77Å; L197-C200 WeakPolarHBondContact O-CB 3.37Å; L197-C200 PolarHBondContact O-N 3.44Å; T198-C200 PolarHBondContact O-N 3.33Å; C200-A203 PolarHBondContact O-N 2.95Å; C200-M204 WeakPolarHBondContact O-CB 2.99Å; C200-M204 VanDerWaalsContact O-CG 3.28Å; C200-M204 WeakPolarHBondContact O-CG 3.43Å; C200-M204 PolarHBondContact O-N 3.29Å; C200-M204 VanDerWaalsContact SG-SD 3.67Å |
| 201 | A | 95.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 22 Ų | 22 | 26% | 0.264 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -62.7 | -52.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L199 A203 M204 L205 T301 C305 | L199-A201 VanDerWaalsContact C-N 3.3Å; L199-A201 PolarHBondContact O-N 3.22Å; A201-A203 PolarHBondContact O-N 2.9Å; A201-M204 PolarHBondContact O-N 3.32Å; A201-L205 WeakPolarHBondContact O-CG 3.16Å; A201-L205 PolarHBondContact O-N 2.91Å; A201-L205 VanDerWaalsContact O-N 3.08Å; A201-T301 HydrophobicContact CB-CG2 4.06Å; A201-C305 WeakPolarHBondContact CB-SG 3.26Å |
| 202 | P | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.3 | -35.7 | 176 | 18.5 | -28.3 | 0 | 0 | 0 | 114.1 | T198 L199 L205 Y206 L315 M316 | T198-P202 VanDerWaalsContact O-CD 3.3Å; T198-P202 WeakPolarHBondContact O-CD 3.31Å; L199-P202 HydrophobicContact CD2-CG 4.42Å; L199-P202 VanDerWaalsContact O-CD 3.3Å; L199-P202 WeakPolarHBondContact O-CD 3.45Å; L199-P202 WeakPolarHBondContact O-CG 3.27Å; P202-L205 PolarHBondContact O-N 3.41Å; P202-Y206 WeakPolarHBondContact O-CB 3.02Å; P202-Y206 PolarHBondContact O-N 3.38Å; P202-L315 HydrophobicContact CB-CB 4.17Å; P202-L315 HydrophobicContact CB-CD2 3.75Å; P202-L315 HydrophobicContact CB-CG 3.77Å; P202-L315 HydrophobicContact CG-CD2 4.49Å; P202-L315 HydrophobicContact CG-CG 4.3Å; P202-M316 HydrophobicContact CB-CB 4.49Å; P202-M316 HydrophobicContact CB-CG 3.54Å; P202-M316 HydrophobicContact CG-CG 3.89Å |
| 203 | A | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F170 T174 L199 C200 A201 L205 Y206 L207 | F170-A203 HydrophobicContact CE2-CB 3.7Å; F170-A203 HydrophobicContact CZ-CB 3.54Å; T174-A203 HydrophobicContact CG2-CB 4.03Å; L199-A203 WeakPolarHBondContact O-CB 3.41Å; L199-A203 PolarHBondContact O-N 2.69Å; L199-A203 VanDerWaalsContact O-N 3.14Å; C200-A203 PolarHBondContact O-N 2.95Å; A201-A203 PolarHBondContact O-N 2.9Å; A203-L205 VanDerWaalsContact C-N 3.35Å; A203-L205 PolarHBondContact O-N 3.39Å; A203-Y206 PolarHBondContact O-N 2.95Å; A203-L207 WeakPolarHBondContact O-CB 3.26Å; A203-L207 VanDerWaalsContact O-CG 3.26Å; A203-L207 WeakPolarHBondContact O-CG 3.36Å; A203-L207 PolarHBondContact O-N 3.48Å |
| 204 | M | 95.8 | Very high | 94 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 11% | 0.113 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 175 | -74.2 | 172.2 | 51.2 | 0 | 0 | 111.7 | C200 A201 Y206 L207 M208 V226 Y229 | C200-M204 WeakPolarHBondContact O-CB 2.99Å; C200-M204 VanDerWaalsContact O-CG 3.28Å; C200-M204 WeakPolarHBondContact O-CG 3.43Å; C200-M204 PolarHBondContact O-N 3.29Å; C200-M204 VanDerWaalsContact SG-SD 3.67Å; A201-M204 PolarHBondContact O-N 3.32Å; M204-Y206 VanDerWaalsContact C-N 3.34Å; M204-Y206 PolarHBondContact O-N 2.95Å; M204-L207 PolarHBondContact O-N 3.35Å; M204-M208 HydrophobicContact CE-CE 4.26Å; M204-M208 WeakPolarHBondContact O-CB 3.42Å; M204-M208 VanDerWaalsContact O-CG 3.24Å; M204-M208 WeakPolarHBondContact O-CG 3.13Å; M204-M208 PolarHBondContact O-N 3.13Å; M204-V226 HydrophobicContact CE-CB 3.91Å; M204-V226 HydrophobicContact CE-CG1 3.82Å; M204-V226 HydrophobicContact CE-CG2 3.56Å; M204-Y229 HydrophobicContact CG-CD1 3.23Å; M204-Y229 HydrophobicContact CG-CE1 3.65Å; M204-Y229 HydrophobicContact CG-CG 3.73Å; M204-Y229 HydrophobicContact SD-CD1 3.7Å; M204-Y229 HydrophobicContact SD-CE1 4.32Å; M204-Y229 HydrophobicContact SD-CG 4.47Å |
| 205 | L | 95.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 177.5 | -70.9 | 171.8 | 0 | 0 | 0 | 111.9 | A201 P202 A203 Q209 V215 C305 P312 L315 | A201-L205 WeakPolarHBondContact O-CG 3.16Å; A201-L205 PolarHBondContact O-N 2.91Å; A201-L205 VanDerWaalsContact O-N 3.08Å; P202-L205 PolarHBondContact O-N 3.41Å; A203-L205 VanDerWaalsContact C-N 3.35Å; A203-L205 PolarHBondContact O-N 3.39Å; L205-Q209 VanDerWaalsContact O-CG 3.3Å; L205-Q209 WeakPolarHBondContact O-CG 3.23Å; L205-Q209 PolarHBondContact O-N 3.46Å; L205-V215 HydrophobicContact CD2-CG1 3.61Å; L205-C305 HydrophobicContact CD1-CB 4.4Å; L205-P312 HydrophobicContact CB-CB 4.01Å; L205-L315 HydrophobicContact CD1-CD2 3.83Å |
| 206 | Y | 96.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 4% | 0.043 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -49.8 | 176.2 | -175.4 | -85 | 0 | 0 | 0 | 112 | Q105 T174 I175 P202 A203 M204 M208 Q209 H210 P312 V313 | Q105-Y206 PolarHBondContact NE2-OH 3.15Å; Q105-Y206 PolarHBondContact OE1-OH 2.92Å; T174-Y206 HydrophobicContact CG2-CD1 3.8Å; T174-Y206 HydrophobicContact CG2-CG 4.07Å; T174-Y206 VanDerWaalsContact O-CD1 3.28Å; T174-Y206 WeakPolarHBondContact O-CD1 3.13Å; T174-Y206 WeakPolarHBondContact O-CE1 3.38Å; I175-Y206 WeakPolarHBondContact CA-OH 3.49Å; I175-Y206 HydrophobicContact CG1-CE2 4.43Å; I175-Y206 PolarHBondContact O-OH 3.49Å; P202-Y206 WeakPolarHBondContact O-CB 3.02Å; P202-Y206 PolarHBondContact O-N 3.38Å; A203-Y206 PolarHBondContact O-N 2.95Å; M204-Y206 VanDerWaalsContact C-N 3.34Å; M204-Y206 PolarHBondContact O-N 2.95Å; Y206-M208 PolarHBondContact O-N 3.21Å; Y206-Q209 PolarHBondContact O-N 3.12Å; Y206-H210 HydrophobicContact CE1-CB 4.27Å; Y206-H210 WeakPolarHBondContact O-CB 3.42Å; Y206-H210 PolarHBondContact O-N 3.23Å; Y206-P312 HydrophobicContact CD2-CG 3.9Å; Y206-P312 HydrophobicContact CG-CG 4.31Å; Y206-V313 HydrophobicContact CD2-CG2 3.58Å; Y206-V313 HydrophobicContact CE2-CG2 3.52Å |
| 207 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -38.3 | -176 | -67.6 | 169.3 | 0 | 0 | 0 | 111.9 | T174 V179 A203 M204 Q209 H210 Q211 F225 Y229 | T174-L207 HydrophobicContact CG2-CG 4.5Å; V179-L207 HydrophobicContact CG1-CD1 4.41Å; V179-L207 HydrophobicContact CG2-CD1 4.42Å; V179-L207 HydrophobicContact CG2-CD2 4.39Å; A203-L207 WeakPolarHBondContact O-CB 3.26Å; A203-L207 VanDerWaalsContact O-CG 3.26Å; A203-L207 WeakPolarHBondContact O-CG 3.36Å; A203-L207 PolarHBondContact O-N 3.48Å; M204-L207 PolarHBondContact O-N 3.35Å; L207-Q209 PolarHBondContact O-N 2.99Å; L207-H210 PolarHBondContact O-N 3.22Å; L207-Q211 WeakPolarHBondContact O-CG 3.5Å; L207-Q211 PolarHBondContact O-N 3.48Å; L207-F225 HydrophobicContact CB-CE1 4.15Å; L207-F225 HydrophobicContact CB-CZ 3.63Å; L207-Y229 HydrophobicContact CD1-CD2 3.98Å; L207-Y229 HydrophobicContact CD1-CE2 3.5Å; L207-Y229 VanDerWaalsContact CD1-CE2 3.5Å |
| 208 | M | 94.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58 | -47.8 | 171.8 | -74.4 | 178.2 | -176.5 | 0 | 0 | 111.2 | M204 Y206 H210 Q211 Y212 V213 V215 F222 F225 V226 | M204-M208 HydrophobicContact CE-CE 4.26Å; M204-M208 WeakPolarHBondContact O-CB 3.42Å; M204-M208 VanDerWaalsContact O-CG 3.24Å; M204-M208 WeakPolarHBondContact O-CG 3.13Å; M204-M208 PolarHBondContact O-N 3.13Å; Y206-M208 PolarHBondContact O-N 3.21Å; M208-H210 VanDerWaalsContact C-N 3.33Å; M208-H210 PolarHBondContact O-N 2.68Å; M208-Q211 CarbonylContact O-C 3.28Å; M208-Q211 PolarHBondContact O-N 2.87Å; M208-Y212 PolarHBondContact O-N 3.21Å; M208-V213 HydrophobicContact CB-CB 4.19Å; M208-V213 HydrophobicContact CG-CB 4.47Å; M208-V213 PolarHBondContact O-N 3.42Å; M208-V215 HydrophobicContact CB-CG2 4.28Å; M208-F222 HydrophobicContact CE-CD2 3.63Å; M208-F222 HydrophobicContact CE-CE2 3.56Å; M208-F222 HydrophobicContact CE-CG 4.35Å; M208-F222 HydrophobicContact CE-CZ 4.22Å; M208-F222 HydrophobicContact SD-CD2 3.53Å; M208-F222 VanDerWaalsContact SD-CD2 3.53Å; M208-F222 HydrophobicContact SD-CE2 3.54Å; M208-F222 VanDerWaalsContact SD-CE2 3.54Å; M208-F225 HydrophobicContact CE-CB 4.2Å; M208-F225 HydrophobicContact CE-CD1 3.49Å; M208-F225 VanDerWaalsContact CE-CD1 3.49Å; M208-F225 HydrophobicContact CE-CE1 4.33Å; M208-F225 HydrophobicContact CE-CG 4.23Å; M208-F225 HydrophobicContact CG-CB 4.49Å; M208-F225 HydrophobicContact CG-CD1 3.34Å; M208-F225 HydrophobicContact CG-CE1 3.63Å; M208-F225 HydrophobicContact CG-CG 3.9Å; M208-F225 HydrophobicContact CG-CZ 4.42Å; M208-F225 HydrophobicContact SD-CD1 4.26Å; M208-V226 HydrophobicContact CE-CG2 3.5Å |
| 209 | Q | 92.1 | Very high | 92.2 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 19% | 0.187 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.9 | -71.9 | 174.6 | 9.4 | 0 | 0 | 112.5 | L205 Y206 L207 Q211 Y212 V215 K309 P312 | L205-Q209 VanDerWaalsContact O-CG 3.3Å; L205-Q209 WeakPolarHBondContact O-CG 3.23Å; L205-Q209 PolarHBondContact O-N 3.46Å; Y206-Q209 PolarHBondContact O-N 3.12Å; L207-Q209 PolarHBondContact O-N 2.99Å; Q209-Q211 VanDerWaalsContact C-N 3.32Å; Q209-Y212 PolarHBondContact O-N 3.26Å; Q209-V215 HydrophobicContact CG-CG2 4.07Å; Q209-K309 PolarHBondContact NE2-O 3.04Å; Q209-P312 VanDerWaalsContact OE1-CD 3.32Å |
| 210 | H | 91.5 | Very high | 91.9 | Very high | 73 Ų | 73 | 58 Ų | 58 | 34% | 0.338 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.4 | -34.2 | 178 | -172.5 | -84.7 | 0 | 0 | 0 | 112.2 | Y206 L207 M208 Y212 | Y206-H210 HydrophobicContact CE1-CB 4.27Å; Y206-H210 WeakPolarHBondContact O-CB 3.42Å; Y206-H210 PolarHBondContact O-N 3.23Å; L207-H210 PolarHBondContact O-N 3.22Å; M208-H210 VanDerWaalsContact C-N 3.33Å; M208-H210 PolarHBondContact O-N 2.68Å; H210-Y212 VanDerWaalsContact C-N 3.32Å |
| 211 | Q | 90.9 | Very high | 91.7 | Very high | 88 Ų | 88 | 59.7 Ų | 59.7 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 8.3 | 176 | -65.5 | -172.6 | -6.7 | 0 | 0 | 113.9 | L207 M208 Q209 V213 | L207-Q211 WeakPolarHBondContact O-CG 3.5Å; L207-Q211 PolarHBondContact O-N 3.48Å; M208-Q211 CarbonylContact O-C 3.28Å; M208-Q211 PolarHBondContact O-N 2.87Å; Q209-Q211 VanDerWaalsContact C-N 3.32Å; Q211-V213 HydrophobicContact CB-CG2 4.11Å; Q211-V213 PolarHBondContact O-N 3.17Å |
| 212 | Y | 87.3 | Confident | 91.6 | Very high | 216 Ų | 216 | 59.7 Ų | 59.7 | 85% | 0.847 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 25 | -176.7 | -54 | -84.5 | 0 | 0 | 0 | 114.3 | M208 Q209 H210 | M208-Y212 PolarHBondContact O-N 3.21Å; Q209-Y212 PolarHBondContact O-N 3.26Å; H210-Y212 VanDerWaalsContact C-N 3.32Å |
| 213 | V | 88.4 | Confident | 91.5 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | trans | -76.5 | 126.7 | 172.5 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | M208 Q211 V215 A221 | M208-V213 HydrophobicContact CB-CB 4.19Å; M208-V213 HydrophobicContact CG-CB 4.47Å; M208-V213 PolarHBondContact O-N 3.42Å; Q211-V213 HydrophobicContact CB-CG2 4.11Å; Q211-V213 PolarHBondContact O-N 3.17Å; V213-V215 PolarHBondContact O-N 2.97Å; V213-A221 HydrophobicContact CG1-CB 4.46Å | ||
| 214 | P | 86.3 | Confident | 91.4 | Very high | 41 Ų | 41 | 75.3 Ų | 75.3 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | trans | -66 | 122.4 | -179.2 | 28.5 | -37.7 | 0 | 0 | 0 | 110.9 | N216 R219 | P214-N216 PolarHBondContact O-N 3.31Å; P214-R219 VanDerWaalsContact CG-NH1 3.34Å | ||
| 215 | V | 87.3 | Confident | 91.4 | Very high | 47 Ų | 47 | 74.7 Ų | 74.7 | 29% | 0.285 | 35% | 0.348 | S | S | . | . | trans | -76.5 | 70.3 | 175.1 | -171 | 0 | 0 | 0 | 0 | 109.6 | L205 M208 Q209 V213 F222 | L205-V215 HydrophobicContact CD2-CG1 3.61Å; M208-V215 HydrophobicContact CB-CG2 4.28Å; Q209-V215 HydrophobicContact CG-CG2 4.07Å; V213-V215 PolarHBondContact O-N 2.97Å; V215-F222 HydrophobicContact CG1-CE2 4.33Å | ||
| 216 | N | 87.5 | Confident | 91.4 | Very high | 62 Ų | 62 | 74.4 Ų | 74.4 | 33% | 0.332 | 35% | 0.348 | S | S | . | . | trans | -136.9 | 117.9 | 177.2 | -172 | -18.6 | 0 | 0 | 0 | 109.7 | P214 R218 R219 F222 | P214-N216 PolarHBondContact O-N 3.31Å; N216-R218 PolarHBondContact O-N 3.46Å; N216-R218 WeakPolarHBondContact OD1-CB 3.32Å; N216-R218 PolarHBondContact OD1-N 3.49Å; N216-R218 VanDerWaalsContact OD1-N 3.1Å; N216-R219 PolarHBondContact O-N 3.28Å; N216-F222 WeakPolarHBondContact O-CB 3.38Å | ||
| 217 | P | 85.5 | Confident | 91.4 | Very high | 81 Ų | 81 | 77.9 Ų | 77.9 | 53% | 0.526 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.1 | -177.2 | 26.9 | -35.9 | 0 | 0 | 0 | 113.6 | R219 F222 W223 | P217-R219 VanDerWaalsContact C-N 3.33Å; P217-F222 HydrophobicContact CB-CE1 4.47Å; P217-W223 PolarHBondContact O-NE1 3.25Å |
| 218 | R | 88 | Confident | 91.4 | Very high | 229 Ų | 229 | 82.6 Ų | 82.6 | 86% | 0.864 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -17.2 | 175.7 | -63.3 | -174.8 | -179.6 | -179.7 | -0.4 | 113.8 | N216 | N216-R218 PolarHBondContact O-N 3.46Å; N216-R218 WeakPolarHBondContact OD1-CB 3.32Å; N216-R218 PolarHBondContact OD1-N 3.49Å; N216-R218 VanDerWaalsContact OD1-N 3.1Å |
| 219 | R | 90.8 | Very high | 91.5 | Very high | 143 Ų | 143 | 82.5 Ų | 82.5 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -94.3 | 134.2 | -176.6 | -69.3 | -175.5 | -178.1 | -167.2 | 5.6 | 110.6 | P214 N216 P217 A221 F222 | P214-R219 VanDerWaalsContact CG-NH1 3.34Å; N216-R219 PolarHBondContact O-N 3.28Å; P217-R219 VanDerWaalsContact C-N 3.33Å; R219-A221 VanDerWaalsContact C-N 3.25Å; R219-A221 PolarHBondContact O-N 3.06Å; R219-F222 WeakPolarHBondContact O-CB 3.24Å; R219-F222 PolarHBondContact O-N 3.21Å; R219-F222 VanDerWaalsContact O-N 3.14Å |
| 220 | A | 91.9 | Very high | 91.7 | Very high | 67 Ų | 67 | 83.5 Ų | 83.5 | 55% | 0.554 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.5 | -35.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | F222 W223 W224 | A220-F222 PolarHBondContact O-N 2.94Å; A220-W223 PolarHBondContact O-N 3.18Å; A220-W223 VanDerWaalsContact O-N 3.13Å; A220-W224 VanDerWaalsContact O-CD1 3.26Å; A220-W224 PolarHBondContact O-N 3.44Å |
| 221 | A | 92.3 | Very high | 92 | Very high | 50 Ų | 50 | 87.5 Ų | 87.5 | 41% | 0.413 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.7 | -32.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V213 R219 F225 | V213-A221 HydrophobicContact CG1-CB 4.46Å; R219-A221 VanDerWaalsContact C-N 3.25Å; R219-A221 PolarHBondContact O-N 3.06Å; A221-F225 PolarHBondContact O-N 2.99Å; A221-F225 VanDerWaalsContact O-N 3.15Å |
| 222 | F | 93.2 | Very high | 92.3 | Very high | 31 Ų | 31 | 85.6 Ų | 85.6 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.5 | -53.5 | 174.7 | 173.3 | -94 | 0 | 0 | 0 | 110.4 | M208 V215 N216 P217 R219 A220 W224 F225 V226 | M208-F222 HydrophobicContact CE-CD2 3.63Å; M208-F222 HydrophobicContact CE-CE2 3.56Å; M208-F222 HydrophobicContact CE-CG 4.35Å; M208-F222 HydrophobicContact CE-CZ 4.22Å; M208-F222 HydrophobicContact SD-CD2 3.53Å; M208-F222 VanDerWaalsContact SD-CD2 3.53Å; M208-F222 HydrophobicContact SD-CE2 3.54Å; M208-F222 VanDerWaalsContact SD-CE2 3.54Å; V215-F222 HydrophobicContact CG1-CE2 4.33Å; N216-F222 WeakPolarHBondContact O-CB 3.38Å; P217-F222 HydrophobicContact CB-CE1 4.47Å; R219-F222 WeakPolarHBondContact O-CB 3.24Å; R219-F222 PolarHBondContact O-N 3.21Å; R219-F222 VanDerWaalsContact O-N 3.14Å; A220-F222 PolarHBondContact O-N 2.94Å; F222-W224 VanDerWaalsContact C-N 3.35Å; F222-W224 PolarHBondContact O-N 3.47Å; F222-F225 PolarHBondContact O-N 3.4Å; F222-V226 HydrophobicContact CD1-CG2 4.11Å; F222-V226 HydrophobicContact CE1-CG2 3.77Å; F222-V226 HydrophobicContact CE2-CG2 4.46Å; F222-V226 HydrophobicContact CZ-CG2 3.96Å; F222-V226 VanDerWaalsContact O-CG2 3.3Å; F222-V226 WeakPolarHBondContact O-CG2 3.44Å; F222-V226 PolarHBondContact O-N 3.32Å |
| 223 | W | 94.3 | Very high | 92.7 | Very high | 142 Ų | 142 | 75.4 Ų | 75.4 | 54% | 0.538 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | -179.3 | -67.8 | 104.3 | 0 | 0 | 0 | 113.1 | P217 A220 F225 V226 V227 | P217-W223 PolarHBondContact O-NE1 3.25Å; A220-W223 PolarHBondContact O-N 3.18Å; A220-W223 VanDerWaalsContact O-N 3.13Å; W223-F225 VanDerWaalsContact C-N 3.35Å; W223-F225 PolarHBondContact O-N 3.28Å; W223-V226 WeakPolarHBondContact O-CB 3.5Å; W223-V226 PolarHBondContact O-N 2.91Å; W223-V227 WeakPolarHBondContact O-CG2 3.45Å; W223-V227 PolarHBondContact O-N 3.4Å |
| 224 | W | 94.6 | Very high | 93.2 | Very high | 187 Ų | 187 | 78.7 Ų | 78.7 | 71% | 0.708 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.4 | -45.5 | 173.3 | -81.1 | 121 | 0 | 0 | 0 | 112.1 | A220 F222 V227 Q228 | A220-W224 VanDerWaalsContact O-CD1 3.26Å; A220-W224 PolarHBondContact O-N 3.44Å; F222-W224 VanDerWaalsContact C-N 3.35Å; F222-W224 PolarHBondContact O-N 3.47Å; W224-V227 PolarHBondContact O-N 2.93Å; W224-Q228 VanDerWaalsContact O-CB 3.31Å; W224-Q228 WeakPolarHBondContact O-CB 3.38Å; W224-Q228 PolarHBondContact O-N 2.7Å |
| 225 | F | 94.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 78.1 Ų | 78.1 | 4% | 0.039 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 176.4 | -172.9 | -84.2 | 0 | 0 | 0 | 112 | V179 L207 M208 A221 F222 W223 Q228 Y229 | V179-F225 HydrophobicContact CG1-CZ 4.3Å; V179-F225 HydrophobicContact CG2-CE2 4.3Å; V179-F225 HydrophobicContact CG2-CZ 4.3Å; L207-F225 HydrophobicContact CB-CE1 4.15Å; L207-F225 HydrophobicContact CB-CZ 3.63Å; M208-F225 HydrophobicContact CE-CB 4.2Å; M208-F225 HydrophobicContact CE-CD1 3.49Å; M208-F225 VanDerWaalsContact CE-CD1 3.49Å; M208-F225 HydrophobicContact CE-CE1 4.33Å; M208-F225 HydrophobicContact CE-CG 4.23Å; M208-F225 HydrophobicContact CG-CB 4.49Å; M208-F225 HydrophobicContact CG-CD1 3.34Å; M208-F225 HydrophobicContact CG-CE1 3.63Å; M208-F225 HydrophobicContact CG-CG 3.9Å; M208-F225 HydrophobicContact CG-CZ 4.42Å; M208-F225 HydrophobicContact SD-CD1 4.26Å; A221-F225 PolarHBondContact O-N 2.99Å; A221-F225 VanDerWaalsContact O-N 3.15Å; F222-F225 PolarHBondContact O-N 3.4Å; W223-F225 VanDerWaalsContact C-N 3.35Å; W223-F225 PolarHBondContact O-N 3.28Å; F225-Q228 PolarHBondContact O-N 2.93Å; F225-Y229 WeakPolarHBondContact O-CB 3.38Å; F225-Y229 PolarHBondContact O-N 3.27Å |
| 226 | V | 95.4 | Very high | 94.2 | Very high | 16 Ų | 16 | 76.7 Ų | 76.7 | 10% | 0.097 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.5 | -53.1 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | M204 M208 F222 W223 Q228 Y229 L230 | M204-V226 HydrophobicContact CE-CB 3.91Å; M204-V226 HydrophobicContact CE-CG1 3.82Å; M204-V226 HydrophobicContact CE-CG2 3.56Å; M208-V226 HydrophobicContact CE-CG2 3.5Å; F222-V226 HydrophobicContact CD1-CG2 4.11Å; F222-V226 HydrophobicContact CE1-CG2 3.77Å; F222-V226 HydrophobicContact CE2-CG2 4.46Å; F222-V226 HydrophobicContact CZ-CG2 3.96Å; F222-V226 VanDerWaalsContact O-CG2 3.3Å; F222-V226 WeakPolarHBondContact O-CG2 3.44Å; F222-V226 PolarHBondContact O-N 3.32Å; W223-V226 WeakPolarHBondContact O-CB 3.5Å; W223-V226 PolarHBondContact O-N 2.91Å; V226-Q228 VanDerWaalsContact C-N 3.33Å; V226-Q228 PolarHBondContact O-N 3.43Å; V226-Y229 PolarHBondContact O-N 2.91Å; V226-L230 HydrophobicContact CG1-CD1 3.7Å; V226-L230 HydrophobicContact CG1-CG 4.33Å; V226-L230 WeakPolarHBondContact O-CB 3.47Å; V226-L230 VanDerWaalsContact O-CG 3.29Å; V226-L230 WeakPolarHBondContact O-CG 3.15Å; V226-L230 PolarHBondContact O-N 3.41Å |
| 227 | V | 96.4 | Very high | 94.6 | Very high | 84 Ų | 84 | 75.6 Ų | 75.6 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | -179.1 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | W223 W224 L230 F231 | W223-V227 WeakPolarHBondContact O-CG2 3.45Å; W223-V227 PolarHBondContact O-N 3.4Å; W224-V227 PolarHBondContact O-N 2.93Å; V227-L230 PolarHBondContact O-N 2.79Å; V227-F231 WeakPolarHBondContact O-CB 3.47Å; V227-F231 PolarHBondContact O-N 2.88Å |
| 228 | Q | 95.6 | Very high | 95.1 | Very high | 98 Ų | 98 | 78.7 Ų | 78.7 | 46% | 0.458 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 177.7 | -176.4 | -179.5 | 8.5 | 0 | 0 | 112.1 | W224 F225 V226 F231 M232 | W224-Q228 VanDerWaalsContact O-CB 3.31Å; W224-Q228 WeakPolarHBondContact O-CB 3.38Å; W224-Q228 PolarHBondContact O-N 2.7Å; F225-Q228 PolarHBondContact O-N 2.93Å; V226-Q228 VanDerWaalsContact C-N 3.33Å; V226-Q228 PolarHBondContact O-N 3.43Å; Q228-F231 PolarHBondContact O-N 3.04Å; Q228-M232 HydrophobicContact CG-CE 3.7Å; Q228-M232 HydrophobicContact CG-SD 4.48Å; Q228-M232 WeakPolarHBondContact O-CG 3.42Å; Q228-M232 PolarHBondContact O-N 3.45Å |
| 229 | Y | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 179.2 | -171.8 | -97.5 | 0 | 0 | 0 | 111.7 | V179 S182 A183 L186 M204 L207 F225 V226 F231 M232 Y233 | V179-Y229 HydrophobicContact CG1-CD2 3.67Å; V179-Y229 HydrophobicContact CG1-CE2 4.26Å; S182-Y229 PolarHBondContact OG-OH 3.08Å; A183-Y229 HydrophobicContact CB-CE2 4.06Å; L186-Y229 HydrophobicContact CD2-CE1 4.24Å; M204-Y229 HydrophobicContact CG-CD1 3.23Å; M204-Y229 HydrophobicContact CG-CE1 3.65Å; M204-Y229 HydrophobicContact CG-CG 3.73Å; M204-Y229 HydrophobicContact SD-CD1 3.7Å; M204-Y229 HydrophobicContact SD-CE1 4.32Å; M204-Y229 HydrophobicContact SD-CG 4.47Å; L207-Y229 HydrophobicContact CD1-CD2 3.98Å; L207-Y229 HydrophobicContact CD1-CE2 3.5Å; L207-Y229 VanDerWaalsContact CD1-CE2 3.5Å; F225-Y229 WeakPolarHBondContact O-CB 3.38Å; F225-Y229 PolarHBondContact O-N 3.27Å; V226-Y229 PolarHBondContact O-N 2.91Å; Y229-F231 VanDerWaalsContact C-N 3.3Å; Y229-F231 PolarHBondContact O-N 2.88Å; Y229-M232 PolarHBondContact O-N 3.34Å; Y229-Y233 VanDerWaalsContact O-CB 3.32Å; Y229-Y233 WeakPolarHBondContact O-CB 3.33Å; Y229-Y233 PolarHBondContact O-N 3.3Å |
| 230 | L | 96.9 | Very high | 95.8 | Very high | 61 Ų | 61 | 66.4 Ų | 66.4 | 32% | 0.319 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 176.8 | -72.1 | 177 | 0 | 0 | 0 | 111.8 | V226 V227 Y233 L234 | V226-L230 HydrophobicContact CG1-CD1 3.7Å; V226-L230 HydrophobicContact CG1-CG 4.33Å; V226-L230 WeakPolarHBondContact O-CB 3.47Å; V226-L230 VanDerWaalsContact O-CG 3.29Å; V226-L230 WeakPolarHBondContact O-CG 3.15Å; V226-L230 PolarHBondContact O-N 3.41Å; V227-L230 PolarHBondContact O-N 2.79Å; L230-Y233 PolarHBondContact O-N 3.47Å; L230-L234 VanDerWaalsContact O-CB 3.22Å; L230-L234 WeakPolarHBondContact O-CB 3.44Å; L230-L234 VanDerWaalsContact O-CG 3.27Å; L230-L234 WeakPolarHBondContact O-CG 3.28Å; L230-L234 PolarHBondContact O-N 3.3Å |
| 231 | F | 97.3 | Very high | 95.9 | Very high | 157 Ų | 157 | 64.4 Ų | 64.4 | 69% | 0.689 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 175.2 | 179.2 | -97.4 | 0 | 0 | 0 | 111.5 | V227 Q228 Y229 G235 | V227-F231 WeakPolarHBondContact O-CB 3.47Å; V227-F231 PolarHBondContact O-N 2.88Å; Q228-F231 PolarHBondContact O-N 3.04Å; Y229-F231 VanDerWaalsContact C-N 3.3Å; Y229-F231 PolarHBondContact O-N 2.88Å; F231-G235 WeakPolarHBondContact O-CA 3.41Å; F231-G235 PolarHBondContact O-N 2.94Å |
| 232 | M | 96.9 | Very high | 96.1 | Very high | 48 Ų | 48 | 63.5 Ų | 63.5 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.6 | -68.4 | 173.7 | -177.2 | 0 | 0 | 111.6 | V179 L180 A183 Q228 Y229 S236 | V179-M232 HydrophobicContact CG1-SD 3.91Å; L180-M232 HydrophobicContact CD1-CG 4.38Å; L180-M232 HydrophobicContact CD1-SD 4.39Å; A183-M232 HydrophobicContact CB-CB 3.9Å; Q228-M232 HydrophobicContact CG-CE 3.7Å; Q228-M232 HydrophobicContact CG-SD 4.48Å; Q228-M232 WeakPolarHBondContact O-CG 3.42Å; Q228-M232 PolarHBondContact O-N 3.45Å; Y229-M232 PolarHBondContact O-N 3.34Å; M232-S236 VanDerWaalsContact O-CB 3.31Å; M232-S236 WeakPolarHBondContact O-CB 3.41Å; M232-S236 PolarHBondContact O-N 3.01Å; M232-S236 PolarHBondContact O-OG 3.21Å |
| 233 | Y | 97.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 66 Ų | 66 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.5 | -57.7 | -179.7 | 170.8 | -107 | 0 | 0 | 0 | 112.1 | L186 C187 T190 L197 Y229 L230 G235 S236 L237 | L186-Y233 HydrophobicContact CB-CD2 4.25Å; L186-Y233 HydrophobicContact CB-CE2 4.21Å; L186-Y233 HydrophobicContact CD2-CD2 4.02Å; L186-Y233 HydrophobicContact CD2-CE2 3.99Å; L186-Y233 HydrophobicContact CG-CD2 4.06Å; L186-Y233 HydrophobicContact CG-CE2 3.71Å; C187-Y233 HydrophobicContact CB-CD2 4Å; C187-Y233 HydrophobicContact CB-CE2 4.02Å; T190-Y233 VanDerWaalsContact CB-OH 3.23Å; T190-Y233 WeakPolarHBondContact CB-OH 3.49Å; T190-Y233 VanDerWaalsContact CG2-OH 3.23Å; T190-Y233 WeakPolarHBondContact CG2-OH 3.36Å; T190-Y233 PolarHBondContact OG1-OH 2.97Å; L197-Y233 HydrophobicContact CD1-CE1 3.84Å; L197-Y233 WeakPolarHBondContact CD1-OH 3.4Å; Y229-Y233 VanDerWaalsContact O-CB 3.32Å; Y229-Y233 WeakPolarHBondContact O-CB 3.33Å; Y229-Y233 PolarHBondContact O-N 3.3Å; L230-Y233 PolarHBondContact O-N 3.47Å; Y233-G235 VanDerWaalsContact C-N 3.32Å; Y233-G235 PolarHBondContact O-N 3.19Å; Y233-S236 PolarHBondContact O-N 3.47Å; Y233-S236 PolarHBondContact O-OG 3.37Å; Y233-L237 PolarHBondContact O-N 2.88Å |
| 234 | L | 97.3 | Very high | 96.2 | Very high | 96 Ų | 96 | 59.2 Ų | 59.2 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 179.9 | -65 | 175.1 | 0 | 0 | 0 | 111.8 | L230 L237 F238 | L230-L234 VanDerWaalsContact O-CB 3.22Å; L230-L234 WeakPolarHBondContact O-CB 3.44Å; L230-L234 VanDerWaalsContact O-CG 3.27Å; L230-L234 WeakPolarHBondContact O-CG 3.28Å; L230-L234 PolarHBondContact O-N 3.3Å; L234-L237 PolarHBondContact O-N 2.91Å; L234-F238 WeakPolarHBondContact O-CB 3.48Å; L234-F238 PolarHBondContact O-N 3.32Å |
| 235 | G | 97.4 | Very high | 96.1 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F231 Y233 L237 F238 V239 | F231-G235 WeakPolarHBondContact O-CA 3.41Å; F231-G235 PolarHBondContact O-N 2.94Å; Y233-G235 VanDerWaalsContact C-N 3.32Å; Y233-G235 PolarHBondContact O-N 3.19Å; G235-L237 VanDerWaalsContact C-N 3.34Å; G235-L237 PolarHBondContact O-N 3.42Å; G235-F238 PolarHBondContact O-N 3.19Å; G235-V239 WeakPolarHBondContact O-CG2 3.46Å; G235-V239 PolarHBondContact O-N 2.91Å |
| 236 | S | 97.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 60.5 Ų | 60.5 | 12% | 0.119 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 175 | 69 | 0 | 0 | 0 | 0 | 112.7 | C187 M232 Y233 V239 I240 | C187-S236 WeakPolarHBondContact CB-OG 3.26Å; C187-S236 PolarHBondContact SG-OG 3.16Å; C187-S236 VanDerWaalsContact SG-OG 3.39Å; M232-S236 VanDerWaalsContact O-CB 3.31Å; M232-S236 WeakPolarHBondContact O-CB 3.41Å; M232-S236 PolarHBondContact O-N 3.01Å; M232-S236 PolarHBondContact O-OG 3.21Å; Y233-S236 PolarHBondContact O-N 3.47Å; Y233-S236 PolarHBondContact O-OG 3.37Å; S236-V239 PolarHBondContact O-N 3.5Å; S236-I240 PolarHBondContact O-N 2.99Å |
| 237 | L | 96.4 | Very high | 95.8 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 176.5 | -173.2 | 67.4 | 0 | 0 | 0 | 111.2 | C187 Y233 L234 G235 V239 I240 V241 | C187-L237 WeakPolarHBondContact SG-CA 3.4Å; C187-L237 PolarHBondContact SG-N 3.42Å; Y233-L237 PolarHBondContact O-N 2.88Å; L234-L237 PolarHBondContact O-N 2.91Å; G235-L237 VanDerWaalsContact C-N 3.34Å; G235-L237 PolarHBondContact O-N 3.42Å; L237-V239 VanDerWaalsContact C-N 3.34Å; L237-V239 PolarHBondContact O-N 3.33Å; L237-I240 PolarHBondContact O-N 3.45Å; L237-V241 HydrophobicContact CD1-CG2 4.47Å; L237-V241 HydrophobicContact CG-CG2 4.46Å; L237-V241 WeakPolarHBondContact O-CB 3.45Å; L237-V241 VanDerWaalsContact O-CG2 3.27Å; L237-V241 WeakPolarHBondContact O-CG2 3.28Å; L237-V241 PolarHBondContact O-N 2.9Å |
| 238 | F | 96.8 | Very high | 95.4 | Very high | 146 Ų | 146 | 60.3 Ų | 60.3 | 64% | 0.64 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57.4 | -47.4 | 173.5 | 179.8 | -100.1 | 0 | 0 | 0 | 111.2 | L234 G235 I240 V241 C242 | L234-F238 WeakPolarHBondContact O-CB 3.48Å; L234-F238 PolarHBondContact O-N 3.32Å; G235-F238 PolarHBondContact O-N 3.19Å; F238-I240 PolarHBondContact O-N 3.34Å; F238-V241 PolarHBondContact O-N 3.39Å; F238-C242 WeakPolarHBondContact CZ-SG 3.3Å; F238-C242 WeakPolarHBondContact O-CB 3.35Å; F238-C242 PolarHBondContact O-N 3.2Å; F238-C242 PolarHBondContact O-SG 2.87Å |
| 239 | V | 96.9 | Very high | 95.1 | Very high | 94 Ų | 94 | 58.3 Ų | 58.3 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.3 | -45.7 | 177.6 | 170.7 | 0 | 0 | 0 | 0 | 111.9 | G235 S236 L237 C242 L243 | G235-V239 WeakPolarHBondContact O-CG2 3.46Å; G235-V239 PolarHBondContact O-N 2.91Å; S236-V239 PolarHBondContact O-N 3.5Å; L237-V239 VanDerWaalsContact C-N 3.34Å; L237-V239 PolarHBondContact O-N 3.33Å; V239-C242 PolarHBondContact O-N 3.34Å; V239-L243 WeakPolarHBondContact O-CB 3.34Å; V239-L243 PolarHBondContact O-N 3.31Å |
| 240 | I | 95.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -40.7 | -179.7 | -77.4 | 160.2 | 0 | 0 | 0 | 111.9 | L68 C187 L188 Y191 S236 L237 F238 L243 S244 | L68-I240 HydrophobicContact CD1-CG2 3.77Å; C187-I240 WeakPolarHBondContact SG-CD1 3.48Å; L188-I240 HydrophobicContact CD2-CD1 3.54Å; L188-I240 HydrophobicContact CD2-CG1 4.44Å; L188-I240 HydrophobicContact CG-CD1 3.98Å; Y191-I240 HydrophobicContact CD1-CG2 3.85Å; Y191-I240 HydrophobicContact CD2-CG2 3.45Å; Y191-I240 VanDerWaalsContact CD2-CG2 3.45Å; Y191-I240 HydrophobicContact CE1-CG2 4.01Å; Y191-I240 HydrophobicContact CE2-CG2 3.6Å; Y191-I240 HydrophobicContact CG-CG2 3.56Å; S236-I240 PolarHBondContact O-N 2.99Å; L237-I240 PolarHBondContact O-N 3.45Å; F238-I240 PolarHBondContact O-N 3.34Å; I240-L243 PolarHBondContact O-N 3.1Å; I240-S244 PolarHBondContact O-N 3.24Å; I240-S244 PolarHBondContact O-OG 2.98Å |
| 241 | V | 95.2 | Very high | 94.5 | Very high | 26 Ų | 26 | 62.6 Ų | 62.6 | 16% | 0.158 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | Y191 L237 F238 S244 F245 W251 F253 | Y191-V241 HydrophobicContact CD2-CG2 4.29Å; Y191-V241 HydrophobicContact CE2-CG2 4.45Å; L237-V241 HydrophobicContact CD1-CG2 4.47Å; L237-V241 HydrophobicContact CG-CG2 4.46Å; L237-V241 WeakPolarHBondContact O-CB 3.45Å; L237-V241 VanDerWaalsContact O-CG2 3.27Å; L237-V241 WeakPolarHBondContact O-CG2 3.28Å; L237-V241 PolarHBondContact O-N 2.9Å; F238-V241 PolarHBondContact O-N 3.39Å; V241-S244 VanDerWaalsContact O-CB 3.31Å; V241-S244 WeakPolarHBondContact O-CB 3.26Å; V241-S244 PolarHBondContact O-N 2.87Å; V241-F245 PolarHBondContact O-N 3.37Å; V241-W251 HydrophobicContact CG1-CZ3 3.84Å; V241-F253 HydrophobicContact CG1-CZ 4.23Å |
| 242 | C | 95.6 | Very high | 94.2 | Very high | 30 Ų | 30 | 58.8 Ų | 58.8 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 173.8 | -73.3 | 0 | 0 | 0 | 0 | 111.9 | F238 V239 S244 F245 F246 | F238-C242 WeakPolarHBondContact CZ-SG 3.3Å; F238-C242 WeakPolarHBondContact O-CB 3.35Å; F238-C242 PolarHBondContact O-N 3.2Å; F238-C242 PolarHBondContact O-SG 2.87Å; V239-C242 PolarHBondContact O-N 3.34Å; C242-S244 VanDerWaalsContact C-N 3.25Å; C242-S244 PolarHBondContact O-N 2.96Å; C242-F245 WeakPolarHBondContact O-CB 3.47Å; C242-F245 PolarHBondContact O-N 3.12Å; C242-F246 HydrophobicContact CB-CE2 4.36Å; C242-F246 WeakPolarHBondContact O-CD2 3.3Å; C242-F246 PolarHBondContact O-N 2.6Å |
| 243 | L | 95.1 | Very high | 94 | Very high | 84 Ų | 84 | 56.5 Ų | 56.5 | 44% | 0.44 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 174.5 | 180 | 64.9 | 0 | 0 | 0 | 111 | L68 V239 I240 F245 F246 L247 | L68-L243 HydrophobicContact CD2-CD2 3.96Å; L68-L243 HydrophobicContact CD2-CG 4.41Å; V239-L243 WeakPolarHBondContact O-CB 3.34Å; V239-L243 PolarHBondContact O-N 3.31Å; I240-L243 PolarHBondContact O-N 3.1Å; L243-F245 PolarHBondContact O-N 3.14Å; L243-F246 PolarHBondContact O-N 3.04Å; L243-L247 HydrophobicContact CD1-CD1 4.48Å; L243-L247 HydrophobicContact CD1-CG 4.48Å; L243-L247 HydrophobicContact CG-CD1 4.12Å; L243-L247 WeakPolarHBondContact O-CB 3.28Å; L243-L247 VanDerWaalsContact O-CG 3.26Å; L243-L247 WeakPolarHBondContact O-CG 3.46Å; L243-L247 PolarHBondContact O-N 3.36Å |
| 244 | S | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.8 | -52.5 | 0 | 0 | 0 | 0 | 112.3 | Y191 I240 V241 C242 L247 L248 | Y191-S244 WeakPolarHBondContact CE2-OG 3.35Å; Y191-S244 VanDerWaalsContact CZ-OG 3.28Å; Y191-S244 PolarHBondContact OH-OG 3.16Å; I240-S244 PolarHBondContact O-N 3.24Å; I240-S244 PolarHBondContact O-OG 2.98Å; V241-S244 VanDerWaalsContact O-CB 3.31Å; V241-S244 WeakPolarHBondContact O-CB 3.26Å; V241-S244 PolarHBondContact O-N 2.87Å; C242-S244 VanDerWaalsContact C-N 3.25Å; C242-S244 PolarHBondContact O-N 2.96Å; S244-L247 PolarHBondContact O-N 3.48Å; S244-L248 PolarHBondContact O-N 2.91Å |
| 245 | F | 93.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 58.6 Ų | 58.6 | 25% | 0.254 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 174.7 | 175.6 | -99.5 | 0 | 0 | 0 | 111.8 | V241 C242 L243 L247 G249 W251 | V241-F245 PolarHBondContact O-N 3.37Å; C242-F245 WeakPolarHBondContact O-CB 3.47Å; C242-F245 PolarHBondContact O-N 3.12Å; L243-F245 PolarHBondContact O-N 3.14Å; F245-L247 VanDerWaalsContact C-N 3.31Å; F245-L247 PolarHBondContact O-N 2.98Å; F245-G249 VanDerWaalsContact O-CA 3.27Å; F245-G249 WeakPolarHBondContact O-CA 3.24Å; F245-G249 PolarHBondContact O-N 3.27Å; F245-W251 HydrophobicContact CB-CH2 4.25Å; F245-W251 HydrophobicContact CB-CZ2 4.37Å; F245-W251 HydrophobicContact CB-CZ3 4.4Å; F245-W251 HydrophobicContact CD1-CZ2 4.42Å; F245-W251 AromaticContact CD2-CD1 3.83Å; F245-W251 AromaticContact CD2-CD2 3.65Å; F245-W251 HydrophobicContact CD2-CD2 3.65Å; F245-W251 AromaticContact CD2-CE2 3.34Å; F245-W251 HydrophobicContact CD2-CE3 4.25Å; F245-W251 AromaticContact CD2-CG 3.96Å; F245-W251 HydrophobicContact CD2-CG 3.96Å; F245-W251 HydrophobicContact CD2-CH2 4.36Å; F245-W251 AromaticContact CD2-CZ2 3.74Å; F245-W251 HydrophobicContact CD2-CZ2 3.74Å; F245-W251 AromaticContact CD2-NE1 3.45Å; F245-W251 AromaticContact CE2-CD1 3.5Å; F245-W251 VanDerWaalsContact CE2-CD1 3.5Å; F245-W251 HydrophobicContact CE2-CD2 4.11Å; F245-W251 AromaticContact CE2-CE2 3.55Å; F245-W251 HydrophobicContact CE2-CG 4.09Å; F245-W251 HydrophobicContact CE2-CZ2 4.13Å; F245-W251 AromaticContact CE2-NE1 3.12Å; F245-W251 HydrophobicContact CG-CD2 4.46Å; F245-W251 HydrophobicContact CG-CH2 4.28Å; F245-W251 AromaticContact CG-CZ2 3.9Å; F245-W251 HydrophobicContact CG-CZ2 3.9Å; F245-W251 AromaticContact CZ-NE1 3.86Å |
| 246 | F | 93.1 | Very high | 93.4 | Very high | 164 Ų | 164 | 58.4 Ų | 58.4 | 72% | 0.719 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.6 | -31.1 | 176.6 | -73 | -62.1 | 0 | 0 | 0 | 113.2 | C242 L243 | C242-F246 HydrophobicContact CB-CE2 4.36Å; C242-F246 WeakPolarHBondContact O-CD2 3.3Å; C242-F246 PolarHBondContact O-N 2.6Å; L243-F246 PolarHBondContact O-N 3.04Å |
| 247 | L | 90 | Very high | 93.2 | Very high | 63 Ų | 63 | 57.6 Ų | 57.6 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -73.7 | -41.3 | 177.1 | -73 | 171.6 | 0 | 0 | 0 | 112.5 | L68 Y71 L243 S244 F245 | L68-L247 HydrophobicContact CD2-CD1 3.87Å; Y71-L247 HydrophobicContact CD2-CB 3.98Å; Y71-L247 HydrophobicContact CD2-CD1 4.12Å; Y71-L247 HydrophobicContact CD2-CG 4.48Å; Y71-L247 HydrophobicContact CE2-CB 3.64Å; Y71-L247 HydrophobicContact CG-CD1 4.44Å; Y71-L247 PolarHBondContact OH-O 3.24Å; L243-L247 HydrophobicContact CD1-CD1 4.48Å; L243-L247 HydrophobicContact CD1-CG 4.48Å; L243-L247 HydrophobicContact CG-CD1 4.12Å; L243-L247 WeakPolarHBondContact O-CB 3.28Å; L243-L247 VanDerWaalsContact O-CG 3.26Å; L243-L247 WeakPolarHBondContact O-CG 3.46Å; L243-L247 PolarHBondContact O-N 3.36Å; S244-L247 PolarHBondContact O-N 3.48Å; F245-L247 VanDerWaalsContact C-N 3.31Å; F245-L247 PolarHBondContact O-N 2.98Å |
| 248 | L | 88.8 | Confident | 93.1 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -91.4 | -26.2 | 179.8 | -97.9 | 104 | 0 | 0 | 0 | 114.8 | Y58 P67 Y71 S244 S250 | Y58-L248 HydrophobicContact CD2-CD2 3.41Å; Y58-L248 VanDerWaalsContact CD2-CD2 3.41Å; Y58-L248 HydrophobicContact CE2-CD1 4.05Å; Y58-L248 HydrophobicContact CE2-CD2 3.42Å; Y58-L248 VanDerWaalsContact CE2-CD2 3.42Å; Y58-L248 HydrophobicContact CE2-CG 4.39Å; P67-L248 HydrophobicContact CB-CD1 3.38Å; P67-L248 HydrophobicContact CG-CD1 3.52Å; Y71-L248 HydrophobicContact CE2-CD1 4.02Å; Y71-L248 HydrophobicContact CE2-CG 4.49Å; S244-L248 PolarHBondContact O-N 2.91Å; L248-S250 PolarHBondContact O-N 3.39Å |
| 249 | G | 88.3 | Confident | 92.9 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 59% | 0.588 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 71.9 | 7.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F245 | F245-G249 VanDerWaalsContact O-CA 3.27Å; F245-G249 WeakPolarHBondContact O-CA 3.24Å; F245-G249 PolarHBondContact O-N 3.27Å |
| 250 | S | 90.1 | Very high | 92.7 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -143.1 | 163.7 | 178.9 | 86.5 | 0 | 0 | 0 | 0 | 113.2 | L248 D252 | L248-S250 PolarHBondContact O-N 3.39Å; S250-D252 VanDerWaalsContact CB-OD2 3.26Å; S250-D252 WeakPolarHBondContact CB-OD2 3.41Å; S250-D252 VanDerWaalsContact OG-CG 3.27Å; S250-D252 PolarHBondContact OG-N 3.05Å; S250-D252 PolarHBondContact OG-OD2 3.09Å |
| 251 | W | 91.8 | Very high | 92.6 | Very high | 128 Ų | 128 | 46.9 Ų | 46.9 | 49% | 0.485 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -95.4 | 4.3 | 176.1 | -66.3 | 102.2 | 0 | 0 | 0 | 113 | V241 F245 F253 L254 P255 | V241-W251 HydrophobicContact CG1-CZ3 3.84Å; F245-W251 HydrophobicContact CB-CH2 4.25Å; F245-W251 HydrophobicContact CB-CZ2 4.37Å; F245-W251 HydrophobicContact CB-CZ3 4.4Å; F245-W251 HydrophobicContact CD1-CZ2 4.42Å; F245-W251 AromaticContact CD2-CD1 3.83Å; F245-W251 AromaticContact CD2-CD2 3.65Å; F245-W251 HydrophobicContact CD2-CD2 3.65Å; F245-W251 AromaticContact CD2-CE2 3.34Å; F245-W251 HydrophobicContact CD2-CE3 4.25Å; F245-W251 AromaticContact CD2-CG 3.96Å; F245-W251 HydrophobicContact CD2-CG 3.96Å; F245-W251 HydrophobicContact CD2-CH2 4.36Å; F245-W251 AromaticContact CD2-CZ2 3.74Å; F245-W251 HydrophobicContact CD2-CZ2 3.74Å; F245-W251 AromaticContact CD2-NE1 3.45Å; F245-W251 AromaticContact CE2-CD1 3.5Å; F245-W251 VanDerWaalsContact CE2-CD1 3.5Å; F245-W251 HydrophobicContact CE2-CD2 4.11Å; F245-W251 AromaticContact CE2-CE2 3.55Å; F245-W251 HydrophobicContact CE2-CG 4.09Å; F245-W251 HydrophobicContact CE2-CZ2 4.13Å; F245-W251 AromaticContact CE2-NE1 3.12Å; F245-W251 HydrophobicContact CG-CD2 4.46Å; F245-W251 HydrophobicContact CG-CH2 4.28Å; F245-W251 AromaticContact CG-CZ2 3.9Å; F245-W251 HydrophobicContact CG-CZ2 3.9Å; F245-W251 AromaticContact CZ-NE1 3.86Å; W251-F253 HydrophobicContact CE3-CE1 4.37Å; W251-F253 HydrophobicContact CE3-CZ 4.5Å; W251-F253 PolarHBondContact O-N 2.98Å; W251-F253 VanDerWaalsContact O-N 3.14Å; W251-L254 HydrophobicContact CE3-CD1 3.55Å; W251-L254 HydrophobicContact CE3-CG 4.29Å; W251-L254 HydrophobicContact CZ3-CD1 4.11Å; W251-L254 WeakPolarHBondContact O-CB 3.5Å; W251-L254 PolarHBondContact O-N 3.39Å; W251-P255 WeakPolarHBondContact O-CD 3.05Å |
| 252 | D | 91 | Very high | 92.5 | Very high | 76 Ų | 76 | 49 Ų | 49 | 41% | 0.406 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -24.9 | -170.6 | -53.3 | -35.5 | 0 | 0 | 0 | 112.6 | S250 L254 P255 S256 | S250-D252 VanDerWaalsContact CB-OD2 3.26Å; S250-D252 WeakPolarHBondContact CB-OD2 3.41Å; S250-D252 VanDerWaalsContact OG-CG 3.27Å; S250-D252 PolarHBondContact OG-N 3.05Å; S250-D252 PolarHBondContact OG-OD2 3.09Å; D252-L254 PolarHBondContact O-N 3.05Å; D252-P255 WeakPolarHBondContact O-CD 3.28Å; D252-P255 VanDerWaalsContact O-CG 3.32Å; D252-P255 WeakPolarHBondContact O-CG 3.48Å; D252-S256 WeakPolarHBondContact O-CB 3.41Å; D252-S256 PolarHBondContact O-N 2.99Å; D252-S256 PolarHBondContact O-OG 3.15Å; D252-S256 VanDerWaalsContact O-OG 3.1Å |
| 253 | F | 92.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -26.6 | 175.1 | 75.8 | -90 | 0 | 0 | 0 | 113.1 | Y58 P67 V241 W251 V257 | Y58-F253 HydrophobicContact CD1-CB 4.42Å; Y58-F253 HydrophobicContact CD2-CB 3.81Å; Y58-F253 HydrophobicContact CE1-CB 4.02Å; Y58-F253 HydrophobicContact CE2-CB 3.37Å; Y58-F253 HydrophobicContact CG-CB 4.3Å; Y58-F253 VanDerWaalsContact CZ-CB 3.48Å; P67-F253 HydrophobicContact CG-CB 3.62Å; P67-F253 HydrophobicContact CG-CD1 4.03Å; P67-F253 HydrophobicContact CG-CD2 3.73Å; P67-F253 HydrophobicContact CG-CE2 4.38Å; P67-F253 HydrophobicContact CG-CG 3.52Å; V241-F253 HydrophobicContact CG1-CZ 4.23Å; W251-F253 HydrophobicContact CE3-CE1 4.37Å; W251-F253 HydrophobicContact CE3-CZ 4.5Å; W251-F253 PolarHBondContact O-N 2.98Å; W251-F253 VanDerWaalsContact O-N 3.14Å; F253-V257 VanDerWaalsContact O-CB 3.24Å; F253-V257 WeakPolarHBondContact O-CB 3.27Å; F253-V257 WeakPolarHBondContact O-CG2 3.4Å; F253-V257 PolarHBondContact O-N 3.47Å |
| 254 | L | 93.4 | Very high | 92.2 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -64.2 | -57.5 | -179.4 | -72.4 | 178.9 | 0 | 0 | 0 | 112.3 | W251 D252 Y258 G259 | W251-L254 HydrophobicContact CE3-CD1 3.55Å; W251-L254 HydrophobicContact CE3-CG 4.29Å; W251-L254 HydrophobicContact CZ3-CD1 4.11Å; W251-L254 WeakPolarHBondContact O-CB 3.5Å; W251-L254 PolarHBondContact O-N 3.39Å; D252-L254 PolarHBondContact O-N 3.05Å; L254-Y258 HydrophobicContact CD2-CD2 3.8Å; L254-Y258 HydrophobicContact CD2-CE2 3.71Å; L254-Y258 WeakPolarHBondContact O-CB 3.34Å; L254-Y258 PolarHBondContact O-N 3.43Å; L254-G259 PolarHBondContact O-N 3.16Å |
| 255 | P | 93.8 | Very high | 92.1 | Very high | 83 Ų | 83 | 48.8 Ų | 48.8 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -65.4 | -38.2 | 175.2 | 25.9 | -34.2 | 0 | 0 | 0 | 112 | W251 D252 V257 G259 F260 | W251-P255 WeakPolarHBondContact O-CD 3.05Å; D252-P255 WeakPolarHBondContact O-CD 3.28Å; D252-P255 VanDerWaalsContact O-CG 3.32Å; D252-P255 WeakPolarHBondContact O-CG 3.48Å; P255-V257 PolarHBondContact O-N 2.91Å; P255-G259 CarbonylContact O-C 3.28Å; P255-G259 WeakPolarHBondContact O-CA 3.5Å; P255-G259 PolarHBondContact O-N 2.89Å; P255-F260 PolarHBondContact O-N 3.26Å; P255-F260 VanDerWaalsContact O-N 3.09Å |
| 256 | S | 91.5 | Very high | 92 | Very high | 25 Ų | 25 | 47.5 Ų | 47.5 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -71.4 | -26.2 | -176.4 | -60.1 | 0 | 0 | 0 | 0 | 114.1 | H64 D252 F260 | H64-S256 PolarHBondContact ND1-O 3.32Å; D252-S256 WeakPolarHBondContact O-CB 3.41Å; D252-S256 PolarHBondContact O-N 2.99Å; D252-S256 PolarHBondContact O-OG 3.15Å; D252-S256 VanDerWaalsContact O-OG 3.1Å; S256-F260 WeakPolarHBondContact O-CB 3.45Å |
| 257 | V | 92.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -97.5 | -62.8 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | Y58 E65 T66 F253 P255 I261 | Y58-V257 HydrophobicContact CE1-CG2 3.78Å; E65-V257 VanDerWaalsContact O-CG2 3.25Å; E65-V257 WeakPolarHBondContact O-CG2 3.35Å; T66-V257 HydrophobicContact CG2-CG1 4.22Å; F253-V257 VanDerWaalsContact O-CB 3.24Å; F253-V257 WeakPolarHBondContact O-CB 3.27Å; F253-V257 WeakPolarHBondContact O-CG2 3.4Å; F253-V257 PolarHBondContact O-N 3.47Å; P255-V257 PolarHBondContact O-N 2.91Å; V257-I261 HydrophobicContact CG1-CD1 4.4Å; V257-I261 WeakPolarHBondContact O-CD1 3.3Å; V257-I261 VanDerWaalsContact O-CG1 3.28Å; V257-I261 WeakPolarHBondContact O-CG1 3.44Å; V257-I261 PolarHBondContact O-N 3.43Å; V257-I261 VanDerWaalsContact O-N 3.14Å |
| 258 | Y | 94.3 | Very high | 92 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 14% | 0.137 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -78.9 | -37.5 | -173.2 | -56.7 | -77.5 | 0 | 0 | 0 | 112.2 | Y191 I194 L254 F260 I261 L262 | Y191-Y258 WeakPolarHBondContact CA-OH 3.46Å; Y191-Y258 WeakPolarHBondContact CD2-OH 3.5Å; Y191-Y258 PolarHBondContact O-OH 2.84Å; I194-Y258 HydrophobicContact CB-CD1 4.44Å; L254-Y258 HydrophobicContact CD2-CD2 3.8Å; L254-Y258 HydrophobicContact CD2-CE2 3.71Å; L254-Y258 WeakPolarHBondContact O-CB 3.34Å; L254-Y258 PolarHBondContact O-N 3.43Å; Y258-F260 VanDerWaalsContact C-N 3.33Å; Y258-I261 PolarHBondContact O-N 3.27Å; Y258-L262 WeakPolarHBondContact O-CG 3.37Å; Y258-L262 PolarHBondContact O-N 2.94Å; Y258-L262 VanDerWaalsContact O-N 3.1Å |
| 259 | G | 93.1 | Very high | 92.2 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -60.7 | -45.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L254 P255 I261 L262 S263 | L254-G259 PolarHBondContact O-N 3.16Å; P255-G259 CarbonylContact O-C 3.28Å; P255-G259 WeakPolarHBondContact O-CA 3.5Å; P255-G259 PolarHBondContact O-N 2.89Å; G259-I261 PolarHBondContact O-N 2.98Å; G259-L262 PolarHBondContact O-N 2.92Å; G259-L262 VanDerWaalsContact O-N 3.14Å; G259-S263 WeakPolarHBondContact O-CB 3.2Å; G259-S263 PolarHBondContact O-N 3.2Å; G259-S263 PolarHBondContact O-OG 3.21Å |
| 260 | F | 93.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 176.7 | -174.2 | -89 | 0 | 0 | 0 | 113.5 | P37 I38 H64 P255 S256 Y258 L262 V264 P265 D266 Y329 | P37-F260 HydrophobicContact CB-CE1 3.93Å; P37-F260 HydrophobicContact CB-CZ 3.76Å; I38-F260 HydrophobicContact CD1-CD1 4.15Å; I38-F260 HydrophobicContact CD1-CE1 4.31Å; I38-F260 HydrophobicContact CG1-CD1 3.96Å; I38-F260 HydrophobicContact CG1-CE1 3.8Å; H64-F260 HydrophobicContact CB-CD1 3.94Å; H64-F260 HydrophobicContact CB-CE1 4.28Å; H64-F260 HydrophobicContact CB-CG 4.14Å; H64-F260 AromaticContact CD2-CD2 3.8Å; H64-F260 AromaticContact CD2-CE1 3.87Å; H64-F260 AromaticContact CD2-CE2 3.48Å; H64-F260 VanDerWaalsContact CD2-CE2 3.48Å; H64-F260 WeakPolarHBondContact CD2-CE2 3.44Å; H64-F260 AromaticContact CD2-CZ 3.52Å; H64-F260 AromaticContact CE1-CD2 3.21Å; H64-F260 WeakPolarHBondContact CE1-CD2 3.48Å; H64-F260 AromaticContact CE1-CE2 3.41Å; H64-F260 VanDerWaalsContact CE1-CE2 3.41Å; H64-F260 WeakPolarHBondContact CE1-CE2 3.29Å; H64-F260 AromaticContact CE1-CG 3.9Å; H64-F260 AromaticContact CG-CD1 3.77Å; H64-F260 AromaticContact CG-CD2 3.67Å; H64-F260 AromaticContact CG-CE1 3.96Å; H64-F260 AromaticContact CG-CE2 3.85Å; H64-F260 AromaticContact CG-CG 3.62Å; H64-F260 AromaticContact CG-CZ 3.99Å; H64-F260 AromaticContact ND1-CD2 3.3Å; H64-F260 VanDerWaalsContact ND1-CD2 3.3Å; H64-F260 WeakPolarHBondContact ND1-CD2 3.24Å; H64-F260 AromaticContact ND1-CE2 3.8Å; H64-F260 AromaticContact ND1-CG 3.48Å; H64-F260 WeakPolarHBondContact ND1-CG 3.32Å; H64-F260 AromaticContact NE2-CD2 3.54Å; H64-F260 AromaticContact NE2-CE2 3.19Å; H64-F260 WeakPolarHBondContact NE2-CE2 3.37Å; H64-F260 AromaticContact NE2-CZ 3.7Å; P255-F260 PolarHBondContact O-N 3.26Å; P255-F260 VanDerWaalsContact O-N 3.09Å; S256-F260 WeakPolarHBondContact O-CB 3.45Å; Y258-F260 VanDerWaalsContact C-N 3.33Å; F260-L262 VanDerWaalsContact C-N 3.32Å; F260-L262 PolarHBondContact O-N 3.02Å; F260-V264 PolarHBondContact O-N 3.39Å; F260-V264 VanDerWaalsContact O-N 3.12Å; F260-P265 HydrophobicContact CD2-CG 3.31Å; F260-P265 HydrophobicContact CE2-CG 3.46Å; F260-P265 VanDerWaalsContact CE2-CG 3.46Å; F260-P265 HydrophobicContact CG-CG 4.15Å; F260-P265 HydrophobicContact CZ-CG 4.37Å; F260-P265 WeakPolarHBondContact O-CD 3.46Å; F260-D266 HydrophobicContact CE2-CB 3.95Å; F260-D266 HydrophobicContact CZ-CB 3.52Å; F260-Y329 AromaticContact CD1-CE2 3.79Å; F260-Y329 HydrophobicContact CD1-CE2 3.79Å; F260-Y329 HydrophobicContact CE1-CD2 4.31Å; F260-Y329 HydrophobicContact CE1-CE1 4.2Å; F260-Y329 AromaticContact CE1-CE2 3.51Å; F260-Y329 HydrophobicContact CE1-CE2 3.51Å; F260-Y329 AromaticContact CE1-CZ 3.42Å; F260-Y329 VanDerWaalsContact CE1-CZ 3.42Å; F260-Y329 VanDerWaalsContact CE1-OH 3.29Å; F260-Y329 WeakPolarHBondContact CE1-OH 3.46Å; F260-Y329 HydrophobicContact CZ-CE2 4.43Å; F260-Y329 AromaticContact CZ-CZ 3.93Å; F260-Y329 WeakPolarHBondContact CZ-OH 3.31Å |
| 261 | I | 93.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.7 | -70.6 | 164.1 | 0 | 0 | 0 | 111.3 | I38 I194 Y195 V257 Y258 G259 V264 Q294 S328 | I38-I261 HydrophobicContact CD1-CD1 4.32Å; I38-I261 HydrophobicContact CD1-CG1 3.47Å; I38-I261 VanDerWaalsContact CD1-CG1 3.47Å; I194-I261 HydrophobicContact CG2-CG2 3.94Å; Y195-I261 HydrophobicContact CE2-CG2 3.59Å; Y195-I261 WeakPolarHBondContact OH-CG2 3.36Å; V257-I261 HydrophobicContact CG1-CD1 4.4Å; V257-I261 WeakPolarHBondContact O-CD1 3.3Å; V257-I261 VanDerWaalsContact O-CG1 3.28Å; V257-I261 WeakPolarHBondContact O-CG1 3.44Å; V257-I261 PolarHBondContact O-N 3.43Å; V257-I261 VanDerWaalsContact O-N 3.14Å; Y258-I261 PolarHBondContact O-N 3.27Å; G259-I261 PolarHBondContact O-N 2.98Å; I261-V264 WeakPolarHBondContact O-CG2 3.49Å; I261-Q294 PolarHBondContact O-NE2 3.4Å; I261-S328 PolarHBondContact O-OG 3.49Å |
| 262 | L | 93 | Very high | 92.6 | Very high | 71 Ų | 71 | 31.3 Ų | 31.3 | 37% | 0.372 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -81.3 | -40.1 | -173.7 | -68.2 | 175.9 | 0 | 0 | 0 | 113.3 | I194 Y258 G259 F260 Q294 | I194-L262 HydrophobicContact CD1-CD1 4.37Å; Y258-L262 WeakPolarHBondContact O-CG 3.37Å; Y258-L262 PolarHBondContact O-N 2.94Å; Y258-L262 VanDerWaalsContact O-N 3.1Å; G259-L262 PolarHBondContact O-N 2.92Å; G259-L262 VanDerWaalsContact O-N 3.14Å; F260-L262 VanDerWaalsContact C-N 3.32Å; F260-L262 PolarHBondContact O-N 3.02Å; L262-Q294 HydrophobicContact CD2-CG 4.44Å; L262-Q294 PolarHBondContact O-NE2 3.03Å; L262-Q294 VanDerWaalsContact O-NE2 3.09Å |
| 263 | S | 91.6 | Very high | 92.7 | Very high | 53 Ų | 53 | 29 Ų | 29 | 37% | 0.371 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -86.4 | -16.5 | -175.9 | 68.2 | 0 | 0 | 0 | 0 | 114 | G259 P265 R286 | G259-S263 WeakPolarHBondContact O-CB 3.2Å; G259-S263 PolarHBondContact O-N 3.2Å; G259-S263 PolarHBondContact O-OG 3.21Å; S263-P265 WeakPolarHBondContact OG-CD 3.25Å; S263-R286 PolarHBondContact O-NH2 2.76Å |
| 264 | V | 93.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | trans | 46.3 | 59.4 | 177.4 | -165.7 | 0 | 0 | 0 | 0 | 111.9 | F260 I261 L267 F274 R286 L290 S328 Y329 | F260-V264 PolarHBondContact O-N 3.39Å; F260-V264 VanDerWaalsContact O-N 3.12Å; I261-V264 WeakPolarHBondContact O-CG2 3.49Å; V264-L267 HydrophobicContact CG1-CD2 4.25Å; V264-F274 HydrophobicContact CB-CD1 4.39Å; V264-F274 HydrophobicContact CG1-CB 4.19Å; V264-F274 HydrophobicContact CG1-CD1 4.25Å; V264-F274 HydrophobicContact CG2-CD1 3.77Å; V264-F274 HydrophobicContact CG2-CE1 4.03Å; V264-R286 PolarHBondContact O-NH2 3.06Å; V264-L290 HydrophobicContact CB-CD2 4.13Å; V264-L290 HydrophobicContact CG2-CD2 4.05Å; V264-S328 WeakPolarHBondContact CG2-OG 3.27Å; V264-Y329 WeakPolarHBondContact CA-OH 3.35Å; V264-Y329 HydrophobicContact CG1-CE1 4.2Å; V264-Y329 HydrophobicContact CG1-CE2 4.2Å | ||
| 265 | P | 91.4 | Very high | 92.8 | Very high | 54 Ų | 54 | 26.5 Ų | 26.5 | 35% | 0.351 | 16% | 0.162 | S | C | . | . | trans | -72.7 | -34.6 | -175.1 | 30.7 | -33.5 | 0 | 0 | 0 | 111.8 | F260 S263 Y329 | F260-P265 HydrophobicContact CD2-CG 3.31Å; F260-P265 HydrophobicContact CE2-CG 3.46Å; F260-P265 VanDerWaalsContact CE2-CG 3.46Å; F260-P265 HydrophobicContact CG-CG 4.15Å; F260-P265 HydrophobicContact CZ-CG 4.37Å; F260-P265 WeakPolarHBondContact O-CD 3.46Å; S263-P265 WeakPolarHBondContact OG-CD 3.25Å; P265-Y329 WeakPolarHBondContact CD-OH 3.36Å | ||
| 266 | D | 91.3 | Very high | 92.8 | Very high | 31 Ų | 31 | 23.5 Ų | 23.5 | 17% | 0.166 | 14% | 0.14 | C | C | . | . | trans | -84.9 | 119.2 | 178.3 | -169.7 | -24.9 | 0 | 0 | 0 | 110.1 | P37 R43 F260 T268 Y329 | P37-D266 HydrophobicContact CB-CB 4.37Å; P37-D266 WeakPolarHBondContact CB-OD2 3.49Å; P37-D266 HydrophobicContact CG-CB 4.13Å; P37-D266 WeakPolarHBondContact CG-OD2 3.33Å; R43-D266 IonicContact CZ-OD2 2.78Å; R43-D266 IonicContact NH1-OD2 2.69Å; R43-D266 IonicContact NH2-OD2 2.87Å; R43-D266 PolarHBondContact NH2-OD2 3.47Å; F260-D266 HydrophobicContact CE2-CB 3.95Å; F260-D266 HydrophobicContact CZ-CB 3.52Å; D266-T268 VanDerWaalsContact OD1-CB 3.23Å; D266-T268 WeakPolarHBondContact OD1-CB 3.33Å; D266-T268 WeakPolarHBondContact OD1-CG2 3.45Å; D266-T268 PolarHBondContact OD1-N 3.37Å; D266-T268 PolarHBondContact OD1-OG1 2.74Å; D266-Y329 HydrophobicContact CB-CE1 4.35Å; D266-Y329 PolarHBondContact N-OH 3.08Å; D266-Y329 VanDerWaalsContact O-CE1 3.26Å; D266-Y329 WeakPolarHBondContact O-CE1 3.26Å; D266-Y329 PolarHBondContact O-OH 2.81Å | ||
| 267 | L | 92.3 | Very high | 92.8 | Very high | 45 Ų | 45 | 25.3 Ų | 25.3 | 24% | 0.236 | 14% | 0.144 | C | C | . | . | trans | -107.5 | 24.2 | -179.7 | -58.4 | 178 | 0 | 0 | 0 | 111.9 | V264 F278 A279 | V264-L267 HydrophobicContact CG1-CD2 4.25Å; L267-F278 HydrophobicContact CD1-CB 4.12Å; L267-F278 HydrophobicContact CD2-CB 3.61Å; L267-A279 HydrophobicContact CD1-CB 4.21Å | ||
| 268 | T | 91.1 | Very high | 92.9 | Very high | 57 Ų | 57 | 25.6 Ų | 25.6 | 35% | 0.35 | 15% | 0.146 | S | C | . | . | trans | -52.3 | 135.6 | 170.5 | 41.5 | 0 | 0 | 0 | 0 | 110.4 | P37 D266 N270 W275 | P37-T268 WeakPolarHBondContact CG-OG1 3.41Å; D266-T268 VanDerWaalsContact OD1-CB 3.23Å; D266-T268 WeakPolarHBondContact OD1-CB 3.33Å; D266-T268 WeakPolarHBondContact OD1-CG2 3.45Å; D266-T268 PolarHBondContact OD1-N 3.37Å; D266-T268 PolarHBondContact OD1-OG1 2.74Å; T268-N270 PolarHBondContact O-N 2.9Å; T268-N270 PolarHBondContact O-ND2 2.9Å; T268-N270 VanDerWaalsContact O-ND2 3.12Å; T268-W275 WeakPolarHBondContact O-CB 3.3Å | ||
| 269 | P | 92.6 | Very high | 92.7 | Very high | 25 Ų | 25 | 26.9 Ų | 26.9 | 16% | 0.162 | 16% | 0.164 | C | C | . | . | trans | -54.6 | 141.6 | -179.5 | -26.9 | 35.3 | 0 | 0 | 0 | 111.6 | V32 W275 W373 W376 Y387 | V32-P269 VanDerWaalsContact CB-O 3.28Å; V32-P269 WeakPolarHBondContact CB-O 3.27Å; V32-P269 WeakPolarHBondContact CG1-O 3.43Å; P269-W275 HydrophobicContact CB-CD2 4.19Å; P269-W275 HydrophobicContact CB-CE3 4Å; P269-W275 HydrophobicContact CB-CH2 4.18Å; P269-W275 HydrophobicContact CB-CZ2 4.34Å; P269-W275 HydrophobicContact CB-CZ3 3.99Å; P269-W275 HydrophobicContact CG-CE3 4.03Å; P269-W275 HydrophobicContact CG-CH2 4.47Å; P269-W275 HydrophobicContact CG-CZ3 3.91Å; P269-W373 HydrophobicContact CB-CH2 4.36Å; P269-W373 HydrophobicContact CB-CZ3 3.71Å; P269-W373 HydrophobicContact CG-CH2 4.3Å; P269-W373 HydrophobicContact CG-CZ3 3.92Å; P269-W376 HydrophobicContact CB-CH2 4.44Å; P269-W376 HydrophobicContact CB-CZ3 4.14Å; P269-W376 HydrophobicContact CG-CH2 3.6Å; P269-W376 HydrophobicContact CG-CZ3 3.75Å; P269-Y387 HydrophobicContact CB-CD1 4.46Å; P269-Y387 HydrophobicContact CB-CE1 4.19Å | ||
| 270 | N | 93.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -154.8 | -174 | 175.3 | 57.1 | 63.1 | 0 | 0 | 0 | 109.4 | T268 G272 W275 | T268-N270 PolarHBondContact O-N 2.9Å; T268-N270 PolarHBondContact O-ND2 2.9Å; T268-N270 VanDerWaalsContact O-ND2 3.12Å; N270-G272 PolarHBondContact O-N 2.99Å; N270-G272 VanDerWaalsContact OD1-CA 3.22Å; N270-G272 WeakPolarHBondContact OD1-CA 3.07Å; N270-G272 PolarHBondContact OD1-N 2.69Å; N270-W275 PolarHBondContact O-NE1 3.07Å; N270-W275 VanDerWaalsContact OD1-CD1 3.29Å | ||
| 271 | I | 93.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -85.4 | 8.3 | 178.7 | 63.8 | 162.2 | 0 | 0 | 0 | 113.5 | E33 P330 V332 T335 F369 T391 F394 N395 | E33-I271 HydrophobicContact CB-CG2 4Å; E33-I271 HydrophobicContact CG-CG2 4.07Å; I271-P330 HydrophobicContact CG1-CB 4.42Å; I271-P330 HydrophobicContact CG1-CG 4.27Å; I271-P330 WeakPolarHBondContact CG1-O 3.13Å; I271-V332 HydrophobicContact CD1-CG1 3.95Å; I271-T335 HydrophobicContact CD1-CG2 4.15Å; I271-F369 HydrophobicContact CG2-CE1 4.18Å; I271-F369 HydrophobicContact CG2-CE2 4.29Å; I271-F369 HydrophobicContact CG2-CZ 4Å; I271-T391 WeakPolarHBondContact O-CG2 3.41Å; I271-F394 HydrophobicContact CD1-CE1 4.19Å; I271-N395 PolarHBondContact O-ND2 3.33Å |
| 272 | G | 92.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -91.9 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N270 W275 T391 | N270-G272 PolarHBondContact O-N 2.99Å; N270-G272 VanDerWaalsContact OD1-CA 3.22Å; N270-G272 WeakPolarHBondContact OD1-CA 3.07Å; N270-G272 PolarHBondContact OD1-N 2.69Å; G272-W275 VanDerWaalsContact O-CD1 3.26Å; G272-W275 PolarHBondContact O-NE1 3.1Å; G272-T391 WeakPolarHBondContact O-CG2 3.34Å |
| 273 | L | 93.2 | Very high | 92.2 | Very high | 26 Ų | 26 | 44.3 Ų | 44.3 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -80.7 | -22.4 | -178.1 | -60.2 | 176.2 | 0 | 0 | 0 | 113.3 | F293 F326 Y388 N395 | L273-F293 HydrophobicContact CB-CE1 4.1Å; L273-F326 HydrophobicContact CD1-CD1 3.97Å; L273-F326 HydrophobicContact CD1-CE1 4.05Å; L273-Y388 PolarHBondContact O-OH 3.3Å; L273-N395 HydrophobicContact CD2-CB 3.79Å |
| 274 | F | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.4 | -55.1 | -166.3 | -74.2 | -114.5 | 0 | 0 | 0 | 112.8 | V264 Y276 F277 F278 F293 F326 S328 | V264-F274 HydrophobicContact CB-CD1 4.39Å; V264-F274 HydrophobicContact CG1-CB 4.19Å; V264-F274 HydrophobicContact CG1-CD1 4.25Å; V264-F274 HydrophobicContact CG2-CD1 3.77Å; V264-F274 HydrophobicContact CG2-CE1 4.03Å; F274-Y276 PolarHBondContact O-N 3Å; F274-Y276 VanDerWaalsContact O-N 3.13Å; F274-F277 PolarHBondContact O-N 2.93Å; F274-F277 VanDerWaalsContact O-N 3.15Å; F274-F278 HydrophobicContact CB-CD2 3.91Å; F274-F278 HydrophobicContact CB-CE2 4.18Å; F274-F278 AromaticContact CD1-CD2 3.9Å; F274-F278 HydrophobicContact CD1-CD2 3.9Å; F274-F278 AromaticContact CD1-CE2 3.41Å; F274-F278 HydrophobicContact CD1-CE2 3.41Å; F274-F278 VanDerWaalsContact CD1-CE2 3.41Å; F274-F278 HydrophobicContact CD1-CZ 4.31Å; F274-F278 HydrophobicContact CE1-CE2 4.11Å; F274-F278 HydrophobicContact CG-CD2 4.26Å; F274-F278 HydrophobicContact CG-CE2 4.01Å; F274-F278 VanDerWaalsContact O-CD2 3.25Å; F274-F278 WeakPolarHBondContact O-CD2 3.43Å; F274-F278 PolarHBondContact O-N 3.35Å; F274-F293 HydrophobicContact CD1-CB 4.43Å; F274-F293 HydrophobicContact CD1-CD1 4.29Å; F274-F293 HydrophobicContact CD2-CD1 4.05Å; F274-F293 HydrophobicContact CE1-CB 3.63Å; F274-F293 HydrophobicContact CE1-CD1 4.2Å; F274-F293 HydrophobicContact CE1-CG 4.35Å; F274-F293 HydrophobicContact CE2-CB 4.24Å; F274-F293 AromaticContact CE2-CD1 3.92Å; F274-F293 HydrophobicContact CE2-CD1 3.92Å; F274-F293 HydrophobicContact CG-CD1 4.24Å; F274-F293 HydrophobicContact CZ-CB 3.53Å; F274-F293 HydrophobicContact CZ-CD1 4.03Å; F274-F293 HydrophobicContact CZ-CG 4.3Å; F274-F326 WeakPolarHBondContact CE2-O 3.47Å; F274-S328 VanDerWaalsContact CE1-OG 3.28Å; F274-S328 WeakPolarHBondContact CE1-OG 3.49Å; F274-S328 VanDerWaalsContact CZ-OG 3.28Å; F274-S328 WeakPolarHBondContact CZ-OG 3.48Å |
| 275 | W | 93.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -49.6 | -50.5 | -162 | 67.8 | -86.8 | 0 | 0 | 0 | 114.1 | T268 P269 N270 G272 A279 W376 Y387 Y388 | T268-W275 WeakPolarHBondContact O-CB 3.3Å; P269-W275 HydrophobicContact CB-CD2 4.19Å; P269-W275 HydrophobicContact CB-CE3 4Å; P269-W275 HydrophobicContact CB-CH2 4.18Å; P269-W275 HydrophobicContact CB-CZ2 4.34Å; P269-W275 HydrophobicContact CB-CZ3 3.99Å; P269-W275 HydrophobicContact CG-CE3 4.03Å; P269-W275 HydrophobicContact CG-CH2 4.47Å; P269-W275 HydrophobicContact CG-CZ3 3.91Å; N270-W275 PolarHBondContact O-NE1 3.07Å; N270-W275 VanDerWaalsContact OD1-CD1 3.29Å; G272-W275 VanDerWaalsContact O-CD1 3.26Å; G272-W275 PolarHBondContact O-NE1 3.1Å; W275-A279 VanDerWaalsContact O-CB 3.29Å; W275-A279 WeakPolarHBondContact O-CB 3.27Å; W275-A279 PolarHBondContact O-N 2.9Å; W275-A279 VanDerWaalsContact O-N 3.09Å; W275-W376 HydrophobicContact CH2-CH2 4.45Å; W275-W376 HydrophobicContact CH2-CZ3 4.31Å; W275-W376 HydrophobicContact CZ3-CH2 4.25Å; W275-Y387 AromaticContact CH2-CD1 3.98Å; W275-Y387 HydrophobicContact CH2-CD1 3.98Å; W275-Y387 AromaticContact CZ2-CD1 3.69Å; W275-Y387 HydrophobicContact CZ2-CD1 3.69Å; W275-Y387 HydrophobicContact CZ2-CE1 4.15Å; W275-Y388 AromaticContact CE2-CD2 3.75Å; W275-Y388 HydrophobicContact CH2-CD2 4.43Å; W275-Y388 AromaticContact CZ2-CD2 3.62Å; W275-Y388 HydrophobicContact CZ2-CD2 3.62Å; W275-Y388 HydrophobicContact CZ2-CG 4.11Å; W275-Y388 AromaticContact NE1-CD2 3.84Å |
| 276 | Y | 92.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 57 Ų | 57 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77.8 | -40.8 | -176.3 | -172.1 | -92.5 | 0 | 0 | 0 | 112.5 | F274 F278 A279 E280 N385 Y388 | F274-Y276 PolarHBondContact O-N 3Å; F274-Y276 VanDerWaalsContact O-N 3.13Å; Y276-F278 VanDerWaalsContact C-N 3.3Å; Y276-F278 PolarHBondContact O-N 3.44Å; Y276-A279 WeakPolarHBondContact O-CB 3.47Å; Y276-A279 PolarHBondContact O-N 3.26Å; Y276-A279 VanDerWaalsContact O-N 3.09Å; Y276-E280 HydrophobicContact CD1-CG 4.38Å; Y276-E280 HydrophobicContact CE1-CG 4.05Å; Y276-E280 WeakPolarHBondContact CE1-OE1 3.46Å; Y276-E280 WeakPolarHBondContact CE1-OE2 3.29Å; Y276-E280 PolarHBondContact O-N 2.89Å; Y276-E280 VanDerWaalsContact O-N 3.12Å; Y276-E280 PolarHBondContact OH-OE1 3.02Å; Y276-N385 PolarHBondContact OH-ND2 3.15Å; Y276-N385 PolarHBondContact OH-OD1 3.07Å; Y276-Y388 VanDerWaalsContact CB-CE2 3.49Å; Y276-Y388 VanDerWaalsContact CB-CG 3.41Å; Y276-Y388 AromaticContact CD1-CD1 3.09Å; Y276-Y388 HydrophobicContact CD1-CD1 3.09Å; Y276-Y388 HydrophobicContact CD1-CD2 4.16Å; Y276-Y388 AromaticContact CD1-CE1 3.42Å; Y276-Y388 HydrophobicContact CD1-CE1 3.42Å; Y276-Y388 VanDerWaalsContact CD1-CE1 3.42Å; Y276-Y388 HydrophobicContact CD1-CE2 4.41Å; Y276-Y388 AromaticContact CD1-CG 3.48Å; Y276-Y388 HydrophobicContact CD1-CG 3.48Å; Y276-Y388 VanDerWaalsContact CD1-CG 3.48Å; Y276-Y388 HydrophobicContact CD2-CD1 4.44Å; Y276-Y388 HydrophobicContact CD2-CG 4.06Å; Y276-Y388 AromaticContact CE1-CD1 3.6Å; Y276-Y388 HydrophobicContact CE1-CD1 3.6Å; Y276-Y388 HydrophobicContact CE1-CE1 4.14Å; Y276-Y388 HydrophobicContact CE1-CG 4.17Å; Y276-Y388 AromaticContact CG-CD1 3.57Å; Y276-Y388 HydrophobicContact CG-CD1 3.57Å; Y276-Y388 AromaticContact CG-CD2 3.81Å; Y276-Y388 HydrophobicContact CG-CD2 3.81Å; Y276-Y388 HydrophobicContact CG-CE1 4.07Å; Y276-Y388 HydrophobicContact CG-CE2 4.29Å; Y276-Y388 AromaticContact CG-CG 3.38Å; Y276-Y388 HydrophobicContact CG-CG 3.38Å |
| 277 | F | 93 | Very high | 92.2 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 28% | 0.276 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 177.8 | -178.8 | -90.6 | 0 | 0 | 0 | 111.2 | F274 A279 M281 F289 F293 | F274-F277 PolarHBondContact O-N 2.93Å; F274-F277 VanDerWaalsContact O-N 3.15Å; F277-A279 VanDerWaalsContact C-N 3.33Å; F277-M281 HydrophobicContact CD1-CE 4.26Å; F277-M281 HydrophobicContact CE1-CE 3.91Å; F277-M281 HydrophobicContact CE1-SD 3.77Å; F277-M281 HydrophobicContact CZ-SD 4.34Å; F277-M281 VanDerWaalsContact O-CB 3.3Å; F277-M281 WeakPolarHBondContact O-CB 3.42Å; F277-M281 PolarHBondContact O-N 3.34Å; F277-F289 HydrophobicContact CE1-CB 3.81Å; F277-F289 AromaticContact CE1-CD1 3.84Å; F277-F289 HydrophobicContact CE1-CD1 3.84Å; F277-F289 HydrophobicContact CE1-CD2 4.47Å; F277-F289 AromaticContact CE1-CG 3.8Å; F277-F289 HydrophobicContact CE1-CG 3.8Å; F277-F289 HydrophobicContact CZ-CB 4.48Å; F277-F289 AromaticContact CZ-CD1 3.66Å; F277-F289 HydrophobicContact CZ-CD1 3.66Å; F277-F289 AromaticContact CZ-CE1 3.92Å; F277-F289 HydrophobicContact CZ-CE1 3.92Å; F277-F289 AromaticContact CZ-CG 3.98Å; F277-F289 HydrophobicContact CZ-CG 3.98Å; F277-F289 HydrophobicContact CZ-CZ 4.43Å; F277-F293 HydrophobicContact CD1-CE1 4.5Å; F277-F293 HydrophobicContact CD1-CE2 4.13Å; F277-F293 AromaticContact CD1-CZ 3.84Å; F277-F293 HydrophobicContact CD1-CZ 3.84Å; F277-F293 HydrophobicContact CD2-CZ 4.33Å; F277-F293 AromaticContact CE1-CE2 4Å; F277-F293 HydrophobicContact CE1-CE2 4Å; F277-F293 HydrophobicContact CE1-CZ 4.13Å; F277-F293 AromaticContact CG-CZ 3.95Å; F277-F293 HydrophobicContact CG-CZ 3.95Å; F277-F293 HydrophobicContact CZ-CE2 4.35Å; F277-F293 HydrophobicContact CZ-CZ 4.49Å |
| 278 | F | 93.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -76.2 | -19.5 | 177.2 | -73.8 | -80.7 | 0 | 0 | 0 | 113.3 | L267 F274 Y276 M281 R286 F289 L290 F293 | L267-F278 HydrophobicContact CD1-CB 4.12Å; L267-F278 HydrophobicContact CD2-CB 3.61Å; F274-F278 HydrophobicContact CB-CD2 3.91Å; F274-F278 HydrophobicContact CB-CE2 4.18Å; F274-F278 AromaticContact CD1-CD2 3.9Å; F274-F278 HydrophobicContact CD1-CD2 3.9Å; F274-F278 AromaticContact CD1-CE2 3.41Å; F274-F278 HydrophobicContact CD1-CE2 3.41Å; F274-F278 VanDerWaalsContact CD1-CE2 3.41Å; F274-F278 HydrophobicContact CD1-CZ 4.31Å; F274-F278 HydrophobicContact CE1-CE2 4.11Å; F274-F278 HydrophobicContact CG-CD2 4.26Å; F274-F278 HydrophobicContact CG-CE2 4.01Å; F274-F278 VanDerWaalsContact O-CD2 3.25Å; F274-F278 WeakPolarHBondContact O-CD2 3.43Å; F274-F278 PolarHBondContact O-N 3.35Å; Y276-F278 VanDerWaalsContact C-N 3.3Å; Y276-F278 PolarHBondContact O-N 3.44Å; F278-M281 HydrophobicContact CD1-CE 3.04Å; F278-M281 HydrophobicContact CE1-CE 3.16Å; F278-M281 HydrophobicContact CG-CE 3.99Å; F278-M281 HydrophobicContact CZ-CE 4.18Å; F278-R286 HydrophobicContact CD1-CG 4.12Å; F278-R286 HydrophobicContact CE1-CG 4.39Å; F278-F289 HydrophobicContact CE1-CB 4.17Å; F278-F289 HydrophobicContact CZ-CB 4.22Å; F278-L290 HydrophobicContact CD1-CD2 4.13Å; F278-L290 HydrophobicContact CD1-CG 4.18Å; F278-L290 HydrophobicContact CE1-CB 4.19Å; F278-L290 HydrophobicContact CE1-CD2 3.55Å; F278-L290 HydrophobicContact CE1-CG 3.44Å; F278-L290 VanDerWaalsContact CE1-CG 3.44Å; F278-L290 HydrophobicContact CE2-CD2 4.15Å; F278-L290 HydrophobicContact CZ-CB 4.33Å; F278-L290 HydrophobicContact CZ-CD2 3.59Å; F278-L290 HydrophobicContact CZ-CG 3.85Å; F278-F293 HydrophobicContact CE2-CD1 4.13Å; F278-F293 HydrophobicContact CE2-CE1 4.44Å; F278-F293 HydrophobicContact CE2-CG 4.24Å; F278-F293 HydrophobicContact CZ-CG 4.38Å |
| 279 | A | 91.3 | Very high | 92.4 | Very high | 63 Ų | 63 | 66.2 Ų | 66.2 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.4 | -33.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L267 W275 Y276 F277 | L267-A279 HydrophobicContact CD1-CB 4.21Å; W275-A279 VanDerWaalsContact O-CB 3.29Å; W275-A279 WeakPolarHBondContact O-CB 3.27Å; W275-A279 PolarHBondContact O-N 2.9Å; W275-A279 VanDerWaalsContact O-N 3.09Å; Y276-A279 WeakPolarHBondContact O-CB 3.47Å; Y276-A279 PolarHBondContact O-N 3.26Å; Y276-A279 VanDerWaalsContact O-N 3.09Å; F277-A279 VanDerWaalsContact C-N 3.33Å |
| 280 | E | 90.6 | Very high | 92.5 | Very high | 124 Ų | 124 | 65.7 Ų | 65.7 | 58% | 0.579 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -89.2 | -17.1 | 179.1 | -63.4 | -165.5 | 143.4 | 0 | 0 | 113.8 | Y276 | Y276-E280 HydrophobicContact CD1-CG 4.38Å; Y276-E280 HydrophobicContact CE1-CG 4.05Å; Y276-E280 WeakPolarHBondContact CE1-OE1 3.46Å; Y276-E280 WeakPolarHBondContact CE1-OE2 3.29Å; Y276-E280 PolarHBondContact O-N 2.89Å; Y276-E280 VanDerWaalsContact O-N 3.12Å; Y276-E280 PolarHBondContact OH-OE1 3.02Å |
| 281 | M | 90.6 | Very high | 92.5 | Very high | 34 Ų | 34 | 68.7 Ų | 68.7 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -80.3 | 139.8 | -172.9 | 179.5 | 171.3 | 50.8 | 0 | 0 | 113 | F277 F278 F285 R286 F289 | F277-M281 HydrophobicContact CD1-CE 4.26Å; F277-M281 HydrophobicContact CE1-CE 3.91Å; F277-M281 HydrophobicContact CE1-SD 3.77Å; F277-M281 HydrophobicContact CZ-SD 4.34Å; F277-M281 VanDerWaalsContact O-CB 3.3Å; F277-M281 WeakPolarHBondContact O-CB 3.42Å; F277-M281 PolarHBondContact O-N 3.34Å; F278-M281 HydrophobicContact CD1-CE 3.04Å; F278-M281 HydrophobicContact CE1-CE 3.16Å; F278-M281 HydrophobicContact CG-CE 3.99Å; F278-M281 HydrophobicContact CZ-CE 4.18Å; M281-F285 HydrophobicContact CG-CB 4.38Å; M281-F285 HydrophobicContact SD-CB 4.15Å; M281-R286 HydrophobicContact CE-CB 4.21Å; M281-R286 HydrophobicContact CE-CG 4.36Å; M281-F289 HydrophobicContact CE-CB 3.87Å; M281-F289 HydrophobicContact CE-CD2 4.43Å; M281-F289 HydrophobicContact CE-CG 4.47Å; M281-F289 HydrophobicContact SD-CB 3.7Å; M281-F289 HydrophobicContact SD-CD2 3.19Å; M281-F289 WeakPolarHBondContact SD-CD2 3.34Å; M281-F289 HydrophobicContact SD-CE2 3.97Å; M281-F289 HydrophobicContact SD-CG 3.66Å |
| 282 | F | 90.8 | Very high | 92.6 | Very high | 152 Ų | 152 | 71.4 Ų | 71.4 | 67% | 0.667 | 35% | 0.348 | S | S | * | . | trans | -63.2 | 138 | 171.4 | -59.2 | -72.4 | 0 | 0 | 0 | 112.5 | H284 F285 R286 | F282-H284 PolarHBondContact O-N 2.99Å; F282-H284 VanDerWaalsContact O-N 3.15Å; F282-F285 HydrophobicContact CB-CD2 4.25Å; F282-F285 PolarHBondContact O-N 2.85Å; F282-R286 PolarHBondContact O-N 2.9Å | ||
| 283 | E | 88.9 | Confident | 92.6 | Very high | 165 Ų | 165 | 73.2 Ų | 73.2 | 77% | 0.771 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -54.6 | -38.1 | -177.4 | -169.7 | 171.9 | -168.3 | 0 | 0 | 113.4 | F285 R286 | E283-F285 PolarHBondContact O-N 3.21Å; E283-F285 VanDerWaalsContact O-N 3.16Å; E283-R286 WeakPolarHBondContact O-CB 3.48Å; E283-R286 PolarHBondContact O-N 2.84Å |
| 284 | H | 91.7 | Very high | 92.6 | Very high | 182 Ų | 182 | 72.6 Ų | 72.6 | 84% | 0.843 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -55.3 | -33.7 | 178 | -62 | 86.1 | 0 | 0 | 0 | 113.7 | F282 | F282-H284 PolarHBondContact O-N 2.99Å; F282-H284 VanDerWaalsContact O-N 3.15Å |
| 285 | F | 91.8 | Very high | 92.6 | Very high | 122 Ų | 122 | 77.2 Ų | 77.2 | 54% | 0.535 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -96.3 | -5.8 | -179.8 | -61.9 | -65.5 | 0 | 0 | 0 | 113.2 | M281 F282 E283 L287 F288 F289 | M281-F285 HydrophobicContact CG-CB 4.38Å; M281-F285 HydrophobicContact SD-CB 4.15Å; F282-F285 HydrophobicContact CB-CD2 4.25Å; F282-F285 PolarHBondContact O-N 2.85Å; E283-F285 PolarHBondContact O-N 3.21Å; E283-F285 VanDerWaalsContact O-N 3.16Å; F285-L287 PolarHBondContact O-N 3.33Å; F285-F288 PolarHBondContact O-N 3.14Å; F285-F289 HydrophobicContact CB-CD2 3.99Å; F285-F289 HydrophobicContact CB-CE2 4.02Å; F285-F289 WeakPolarHBondContact O-CD2 3.37Å; F285-F289 PolarHBondContact O-N 3.23Å |
| 286 | R | 92.6 | Very high | 92.5 | Very high | 70 Ų | 70 | 78.8 Ų | 78.8 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.4 | -48.9 | -171.4 | -179.5 | 175.9 | 171.6 | 138.4 | 4.4 | 112.9 | S263 V264 F278 M281 F282 E283 F288 F289 L290 | S263-R286 PolarHBondContact O-NH2 2.76Å; V264-R286 PolarHBondContact O-NH2 3.06Å; F278-R286 HydrophobicContact CD1-CG 4.12Å; F278-R286 HydrophobicContact CE1-CG 4.39Å; M281-R286 HydrophobicContact CE-CB 4.21Å; M281-R286 HydrophobicContact CE-CG 4.36Å; F282-R286 PolarHBondContact O-N 2.9Å; E283-R286 WeakPolarHBondContact O-CB 3.48Å; E283-R286 PolarHBondContact O-N 2.84Å; R286-F288 VanDerWaalsContact C-N 3.33Å; R286-F288 PolarHBondContact O-N 3.41Å; R286-F289 PolarHBondContact O-N 2.87Å; R286-L290 HydrophobicContact CG-CD1 3.92Å; R286-L290 HydrophobicContact CG-CG 4.26Å; R286-L290 WeakPolarHBondContact O-CB 3.5Å; R286-L290 WeakPolarHBondContact O-CG 3.44Å; R286-L290 PolarHBondContact O-N 3.42Å |
| 287 | L | 92.8 | Very high | 92.4 | Very high | 132 Ų | 132 | 77.9 Ų | 77.9 | 69% | 0.691 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | -177.4 | -176.8 | 65 | 0 | 0 | 0 | 112.1 | F285 L290 C291 | F285-L287 PolarHBondContact O-N 3.33Å; L287-L290 PolarHBondContact O-N 3.08Å; L287-C291 PolarHBondContact O-N 3.28Å; L287-C291 VanDerWaalsContact O-N 3.07Å; L287-C291 PolarHBondContact O-SG 2.92Å; L287-C291 VanDerWaalsContact O-SG 3.34Å |
| 288 | F | 94.2 | Very high | 92.5 | Very high | 130 Ų | 130 | 78.1 Ų | 78.1 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.6 | -51.7 | 179.2 | 172 | -100 | 0 | 0 | 0 | 111 | F285 R286 C291 V292 | F285-F288 PolarHBondContact O-N 3.14Å; R286-F288 VanDerWaalsContact C-N 3.33Å; R286-F288 PolarHBondContact O-N 3.41Å; F288-C291 PolarHBondContact O-N 2.92Å; F288-V292 HydrophobicContact CD1-CG2 4.46Å; F288-V292 HydrophobicContact CE1-CG2 4.05Å; F288-V292 HydrophobicContact CE2-CG2 4.25Å; F288-V292 HydrophobicContact CZ-CG2 3.94Å; F288-V292 WeakPolarHBondContact O-CG2 3.24Å; F288-V292 PolarHBondContact O-N 3.34Å |
| 289 | F | 93.6 | Very high | 92.5 | Very high | 65 Ų | 65 | 83.9 Ų | 83.9 | 29% | 0.285 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.3 | -32.1 | -178.9 | -75.1 | -79.9 | 0 | 0 | 0 | 113 | F277 F278 M281 F285 R286 C291 V292 F293 | F277-F289 HydrophobicContact CE1-CB 3.81Å; F277-F289 AromaticContact CE1-CD1 3.84Å; F277-F289 HydrophobicContact CE1-CD1 3.84Å; F277-F289 HydrophobicContact CE1-CD2 4.47Å; F277-F289 AromaticContact CE1-CG 3.8Å; F277-F289 HydrophobicContact CE1-CG 3.8Å; F277-F289 HydrophobicContact CZ-CB 4.48Å; F277-F289 AromaticContact CZ-CD1 3.66Å; F277-F289 HydrophobicContact CZ-CD1 3.66Å; F277-F289 AromaticContact CZ-CE1 3.92Å; F277-F289 HydrophobicContact CZ-CE1 3.92Å; F277-F289 AromaticContact CZ-CG 3.98Å; F277-F289 HydrophobicContact CZ-CG 3.98Å; F277-F289 HydrophobicContact CZ-CZ 4.43Å; F278-F289 HydrophobicContact CE1-CB 4.17Å; F278-F289 HydrophobicContact CZ-CB 4.22Å; M281-F289 HydrophobicContact CE-CB 3.87Å; M281-F289 HydrophobicContact CE-CD2 4.43Å; M281-F289 HydrophobicContact CE-CG 4.47Å; M281-F289 HydrophobicContact SD-CB 3.7Å; M281-F289 HydrophobicContact SD-CD2 3.19Å; M281-F289 WeakPolarHBondContact SD-CD2 3.34Å; M281-F289 HydrophobicContact SD-CE2 3.97Å; M281-F289 HydrophobicContact SD-CG 3.66Å; F285-F289 HydrophobicContact CB-CD2 3.99Å; F285-F289 HydrophobicContact CB-CE2 4.02Å; F285-F289 WeakPolarHBondContact O-CD2 3.37Å; F285-F289 PolarHBondContact O-N 3.23Å; R286-F289 PolarHBondContact O-N 2.87Å; F289-C291 VanDerWaalsContact C-N 3.34Å; F289-C291 PolarHBondContact O-N 3.41Å; F289-V292 PolarHBondContact O-N 2.97Å; F289-F293 HydrophobicContact CD1-CE2 4.47Å; F289-F293 WeakPolarHBondContact O-CB 3.43Å; F289-F293 VanDerWaalsContact O-CD2 3.26Å; F289-F293 WeakPolarHBondContact O-CD2 3.25Å; F289-F293 PolarHBondContact O-N 3.45Å |
| 290 | L | 94.1 | Very high | 92.5 | Very high | 14 Ų | 14 | 85 Ų | 85 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.1 | -50.4 | 170.3 | -84.3 | 175 | 0 | 0 | 0 | 110.4 | V264 F278 R286 L287 V292 F293 Q294 | V264-L290 HydrophobicContact CB-CD2 4.13Å; V264-L290 HydrophobicContact CG2-CD2 4.05Å; F278-L290 HydrophobicContact CD1-CD2 4.13Å; F278-L290 HydrophobicContact CD1-CG 4.18Å; F278-L290 HydrophobicContact CE1-CB 4.19Å; F278-L290 HydrophobicContact CE1-CD2 3.55Å; F278-L290 HydrophobicContact CE1-CG 3.44Å; F278-L290 VanDerWaalsContact CE1-CG 3.44Å; F278-L290 HydrophobicContact CE2-CD2 4.15Å; F278-L290 HydrophobicContact CZ-CB 4.33Å; F278-L290 HydrophobicContact CZ-CD2 3.59Å; F278-L290 HydrophobicContact CZ-CG 3.85Å; R286-L290 HydrophobicContact CG-CD1 3.92Å; R286-L290 HydrophobicContact CG-CG 4.26Å; R286-L290 WeakPolarHBondContact O-CB 3.5Å; R286-L290 WeakPolarHBondContact O-CG 3.44Å; R286-L290 PolarHBondContact O-N 3.42Å; L287-L290 PolarHBondContact O-N 3.08Å; L290-V292 PolarHBondContact O-N 2.84Å; L290-F293 PolarHBondContact O-N 3.45Å; L290-Q294 VanDerWaalsContact O-CG 3.27Å; L290-Q294 WeakPolarHBondContact O-CG 3.46Å; L290-Q294 PolarHBondContact O-N 3.12Å |
| 291 | C | 94.3 | Very high | 92.7 | Very high | 63 Ų | 63 | 79.8 Ų | 79.8 | 43% | 0.426 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 177.3 | -70.6 | 0 | 0 | 0 | 0 | 112 | L287 F288 F289 F293 Q294 I295 | L287-C291 PolarHBondContact O-N 3.28Å; L287-C291 VanDerWaalsContact O-N 3.07Å; L287-C291 PolarHBondContact O-SG 2.92Å; L287-C291 VanDerWaalsContact O-SG 3.34Å; F288-C291 PolarHBondContact O-N 2.92Å; F289-C291 VanDerWaalsContact C-N 3.34Å; F289-C291 PolarHBondContact O-N 3.41Å; C291-F293 PolarHBondContact O-N 3.41Å; C291-Q294 PolarHBondContact O-N 3.02Å; C291-I295 WeakPolarHBondContact O-CB 3.43Å; C291-I295 WeakPolarHBondContact O-CD1 3.02Å; C291-I295 WeakPolarHBondContact O-CG1 3.21Å; C291-I295 PolarHBondContact O-N 3.13Å |
| 292 | V | 93.7 | Very high | 92.8 | Very high | 58 Ų | 58 | 82.8 Ų | 82.8 | 35% | 0.352 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 178.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | F288 F289 L290 N296 | F288-V292 HydrophobicContact CD1-CG2 4.46Å; F288-V292 HydrophobicContact CE1-CG2 4.05Å; F288-V292 HydrophobicContact CE2-CG2 4.25Å; F288-V292 HydrophobicContact CZ-CG2 3.94Å; F288-V292 WeakPolarHBondContact O-CG2 3.24Å; F288-V292 PolarHBondContact O-N 3.34Å; F289-V292 PolarHBondContact O-N 2.97Å; L290-V292 PolarHBondContact O-N 2.84Å; V292-N296 PolarHBondContact O-N 3.36Å; V292-N296 PolarHBondContact O-ND2 3.36Å |
| 293 | F | 93.2 | Very high | 93 | Very high | 38 Ų | 38 | 78.5 Ų | 78.5 | 17% | 0.167 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.9 | -45 | -178.5 | -86.3 | -124.6 | 0 | 0 | 0 | 111.9 | L273 F274 F277 F278 F289 L290 C291 N296 | L273-F293 HydrophobicContact CB-CE1 4.1Å; F274-F293 HydrophobicContact CD1-CB 4.43Å; F274-F293 HydrophobicContact CD1-CD1 4.29Å; F274-F293 HydrophobicContact CD2-CD1 4.05Å; F274-F293 HydrophobicContact CE1-CB 3.63Å; F274-F293 HydrophobicContact CE1-CD1 4.2Å; F274-F293 HydrophobicContact CE1-CG 4.35Å; F274-F293 HydrophobicContact CE2-CB 4.24Å; F274-F293 AromaticContact CE2-CD1 3.92Å; F274-F293 HydrophobicContact CE2-CD1 3.92Å; F274-F293 HydrophobicContact CG-CD1 4.24Å; F274-F293 HydrophobicContact CZ-CB 3.53Å; F274-F293 HydrophobicContact CZ-CD1 4.03Å; F274-F293 HydrophobicContact CZ-CG 4.3Å; F277-F293 HydrophobicContact CD1-CE1 4.5Å; F277-F293 HydrophobicContact CD1-CE2 4.13Å; F277-F293 AromaticContact CD1-CZ 3.84Å; F277-F293 HydrophobicContact CD1-CZ 3.84Å; F277-F293 HydrophobicContact CD2-CZ 4.33Å; F277-F293 AromaticContact CE1-CE2 4Å; F277-F293 HydrophobicContact CE1-CE2 4Å; F277-F293 HydrophobicContact CE1-CZ 4.13Å; F277-F293 AromaticContact CG-CZ 3.95Å; F277-F293 HydrophobicContact CG-CZ 3.95Å; F277-F293 HydrophobicContact CZ-CE2 4.35Å; F277-F293 HydrophobicContact CZ-CZ 4.49Å; F278-F293 HydrophobicContact CE2-CD1 4.13Å; F278-F293 HydrophobicContact CE2-CE1 4.44Å; F278-F293 HydrophobicContact CE2-CG 4.24Å; F278-F293 HydrophobicContact CZ-CG 4.38Å; F289-F293 HydrophobicContact CD1-CE2 4.47Å; F289-F293 WeakPolarHBondContact O-CB 3.43Å; F289-F293 VanDerWaalsContact O-CD2 3.26Å; F289-F293 WeakPolarHBondContact O-CD2 3.25Å; F289-F293 PolarHBondContact O-N 3.45Å; L290-F293 PolarHBondContact O-N 3.45Å; C291-F293 PolarHBondContact O-N 3.41Å; F293-N296 WeakPolarHBondContact O-CB 3.4Å; F293-N296 PolarHBondContact O-N 2.88Å |
| 294 | Q | 94.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 71.6 Ų | 71.6 | 7% | 0.065 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 179.4 | -64.6 | -67.7 | 6.1 | 0 | 0 | 112.2 | Y195 I261 L262 L290 C291 N296 V297 F298 S328 | Y195-Q294 PolarHBondContact OH-OE1 2.95Å; I261-Q294 PolarHBondContact O-NE2 3.4Å; L262-Q294 HydrophobicContact CD2-CG 4.44Å; L262-Q294 PolarHBondContact O-NE2 3.03Å; L262-Q294 VanDerWaalsContact O-NE2 3.09Å; L290-Q294 VanDerWaalsContact O-CG 3.27Å; L290-Q294 WeakPolarHBondContact O-CG 3.46Å; L290-Q294 PolarHBondContact O-N 3.12Å; C291-Q294 PolarHBondContact O-N 3.02Å; Q294-N296 PolarHBondContact O-N 3.06Å; Q294-V297 PolarHBondContact O-N 2.8Å; Q294-F298 VanDerWaalsContact O-CD2 3.27Å; Q294-F298 WeakPolarHBondContact O-CD2 3.18Å; Q294-S328 PolarHBondContact NE2-OG 3.29Å; Q294-S328 PolarHBondContact OE1-OG 3.05Å |
| 295 | I | 93.9 | Very high | 93.3 | Very high | 98 Ų | 98 | 64 Ų | 64 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61 | -32.5 | 179.6 | -75.9 | 169.7 | 0 | 0 | 0 | 111.7 | C291 V297 F298 F299 | C291-I295 WeakPolarHBondContact O-CB 3.43Å; C291-I295 WeakPolarHBondContact O-CD1 3.02Å; C291-I295 WeakPolarHBondContact O-CG1 3.21Å; C291-I295 PolarHBondContact O-N 3.13Å; I295-V297 PolarHBondContact O-N 3.34Å; I295-F298 PolarHBondContact O-N 3Å; I295-F299 HydrophobicContact CG2-CB 4.08Å; I295-F299 WeakPolarHBondContact O-CB 3.18Å; I295-F299 PolarHBondContact O-N 3.34Å |
| 296 | N | 91.6 | Very high | 93.3 | Very high | 42 Ų | 42 | 64 Ų | 64 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.6 | -38.5 | -179 | -76.5 | -49.9 | 0 | 0 | 0 | 112.7 | V292 F293 Q294 F298 Y300 F326 | V292-N296 PolarHBondContact O-N 3.36Å; V292-N296 PolarHBondContact O-ND2 3.36Å; F293-N296 WeakPolarHBondContact O-CB 3.4Å; F293-N296 PolarHBondContact O-N 2.88Å; Q294-N296 PolarHBondContact O-N 3.06Å; N296-F298 VanDerWaalsContact C-N 3.28Å; N296-F298 PolarHBondContact O-N 3.2Å; N296-Y300 HydrophobicContact CB-CE2 4.32Å; N296-Y300 WeakPolarHBondContact O-CD2 3.22Å; N296-F326 HydrophobicContact CB-CD1 4.09Å; N296-F326 HydrophobicContact CB-CE1 4.36Å; N296-F326 HydrophobicContact CB-CG 4.32Å |
| 297 | V | 91.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -39.7 | 178.2 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | Y195 Q294 I295 Q319 I323 F326 | Y195-V297 HydrophobicContact CD1-CB 4.08Å; Y195-V297 HydrophobicContact CD1-CG1 3.73Å; Y195-V297 HydrophobicContact CD1-CG2 3.92Å; Y195-V297 HydrophobicContact CE1-CB 4.48Å; Y195-V297 HydrophobicContact CE1-CG2 3.97Å; Y195-V297 HydrophobicContact CG-CG1 4.35Å; Q294-V297 PolarHBondContact O-N 2.8Å; I295-V297 PolarHBondContact O-N 3.34Å; V297-Q319 PolarHBondContact O-NE2 3.13Å; V297-I323 HydrophobicContact CG1-CG1 4.17Å; V297-F326 HydrophobicContact CG2-CB 3.49Å; V297-F326 VanDerWaalsContact CG2-CB 3.49Å; V297-F326 WeakPolarHBondContact CG2-O 3.32Å |
| 298 | F | 94.1 | Very high | 93.4 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -85.5 | -37.7 | -175.7 | -58.1 | -75.4 | 0 | 0 | 0 | 112.4 | Y195 L197 T198 Q294 I295 N296 Y300 T301 | Y195-F298 HydrophobicContact CD1-CZ 4.33Å; L197-F298 HydrophobicContact CD2-CE1 4.43Å; T198-F298 HydrophobicContact CG2-CD1 3.49Å; T198-F298 VanDerWaalsContact CG2-CD1 3.49Å; T198-F298 HydrophobicContact CG2-CE1 3.96Å; T198-F298 HydrophobicContact CG2-CG 4.37Å; Q294-F298 VanDerWaalsContact O-CD2 3.27Å; Q294-F298 WeakPolarHBondContact O-CD2 3.18Å; I295-F298 PolarHBondContact O-N 3Å; N296-F298 VanDerWaalsContact C-N 3.28Å; N296-F298 PolarHBondContact O-N 3.2Å; F298-Y300 PolarHBondContact O-N 3.43Å; F298-T301 WeakPolarHBondContact O-CB 3.46Å; F298-T301 PolarHBondContact O-N 3.2Å; F298-T301 VanDerWaalsContact O-N 3.1Å; F298-T301 PolarHBondContact O-OG1 3.23Å |
| 299 | F | 93.2 | Very high | 93.2 | Very high | 128 Ų | 128 | 58.4 Ų | 58.4 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.9 | -43.9 | -172.9 | 178.7 | -99.3 | 0 | 0 | 0 | 112.4 | I295 T301 V302 P303 | I295-F299 HydrophobicContact CG2-CB 4.08Å; I295-F299 WeakPolarHBondContact O-CB 3.18Å; I295-F299 PolarHBondContact O-N 3.34Å; F299-T301 PolarHBondContact O-N 3.1Å; F299-V302 PolarHBondContact O-N 3.15Å; F299-P303 WeakPolarHBondContact O-CD 3.08Å |
| 300 | Y | 92.3 | Very high | 93 | Very high | 87 Ų | 87 | 59.6 Ų | 59.6 | 34% | 0.341 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.8 | -179.5 | -66.6 | -62.4 | 0 | 0 | 0 | 113.8 | N296 F298 V302 P303 L304 V322 F326 | N296-Y300 HydrophobicContact CB-CE2 4.32Å; N296-Y300 WeakPolarHBondContact O-CD2 3.22Å; F298-Y300 PolarHBondContact O-N 3.43Å; Y300-V302 VanDerWaalsContact C-N 3.3Å; Y300-V302 PolarHBondContact O-N 2.85Å; Y300-P303 VanDerWaalsContact O-CD 3.31Å; Y300-P303 WeakPolarHBondContact O-CD 3.43Å; Y300-P303 WeakPolarHBondContact O-CG 3.14Å; Y300-L304 VanDerWaalsContact O-CB 3.27Å; Y300-L304 WeakPolarHBondContact O-CB 3.49Å; Y300-L304 WeakPolarHBondContact O-CD1 3.11Å; Y300-L304 WeakPolarHBondContact O-CG 3.3Å; Y300-L304 PolarHBondContact O-N 3.1Å; Y300-V322 HydrophobicContact CD2-CG1 3.95Å; Y300-F326 HydrophobicContact CD2-CE2 4.34Å; Y300-F326 HydrophobicContact CE2-CD2 4.35Å; Y300-F326 AromaticContact CE2-CE2 3.73Å; Y300-F326 HydrophobicContact CE2-CE2 3.73Å; Y300-F326 HydrophobicContact CE2-CZ 4.09Å |
| 301 | T | 93.6 | Very high | 92.9 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 9% | 0.092 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.7 | -43.6 | -179.6 | -45.1 | 0 | 0 | 0 | 0 | 111.1 | T198 A201 F298 F299 C305 Q319 | T198-T301 WeakPolarHBondContact CG2-OG1 3.42Å; A201-T301 HydrophobicContact CB-CG2 4.06Å; F298-T301 WeakPolarHBondContact O-CB 3.46Å; F298-T301 PolarHBondContact O-N 3.2Å; F298-T301 VanDerWaalsContact O-N 3.1Å; F298-T301 PolarHBondContact O-OG1 3.23Å; F299-T301 PolarHBondContact O-N 3.1Å; T301-C305 VanDerWaalsContact O-CB 3.27Å; T301-C305 WeakPolarHBondContact O-CB 3.23Å; T301-C305 PolarHBondContact O-N 3.09Å; T301-C305 PolarHBondContact O-SG 2.97Å; T301-Q319 PolarHBondContact OG1-NE2 2.56Å; T301-Q319 PolarHBondContact OG1-OE1 3.04Å |
| 302 | V | 93.4 | Very high | 92.9 | Very high | 97 Ų | 97 | 60 Ų | 60 | 59% | 0.588 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.8 | -58.6 | -175.3 | 178.8 | 0 | 0 | 0 | 0 | 112.9 | F299 Y300 L304 C305 I306 | F299-V302 PolarHBondContact O-N 3.15Å; Y300-V302 VanDerWaalsContact C-N 3.3Å; Y300-V302 PolarHBondContact O-N 2.85Å; V302-L304 VanDerWaalsContact C-N 3.3Å; V302-L304 PolarHBondContact O-N 3.12Å; V302-C305 PolarHBondContact O-N 3.38Å; V302-I306 HydrophobicContact CG1-CD1 4.14Å; V302-I306 WeakPolarHBondContact O-CG1 3.13Å; V302-I306 PolarHBondContact O-N 3.03Å; V302-I306 VanDerWaalsContact O-N 3.1Å |
| 303 | P | 94.6 | Very high | 93 | Very high | 61 Ų | 61 | 57.4 Ų | 57.4 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | -180 | 25.4 | -34 | 0 | 0 | 0 | 112.1 | F299 Y300 I306 K307 | F299-P303 WeakPolarHBondContact O-CD 3.08Å; Y300-P303 VanDerWaalsContact O-CD 3.31Å; Y300-P303 WeakPolarHBondContact O-CD 3.43Å; Y300-P303 WeakPolarHBondContact O-CG 3.14Å; P303-I306 PolarHBondContact O-N 3.4Å; P303-K307 WeakPolarHBondContact O-CB 3.32Å; P303-K307 PolarHBondContact O-N 3.24Å |
| 304 | L | 93.9 | Very high | 93.1 | Very high | 20 Ų | 20 | 55.6 Ų | 55.6 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 176.4 | -68.8 | 174.8 | 0 | 0 | 0 | 111.5 | Y300 V302 I306 K307 L308 L315 M318 F406 | Y300-L304 VanDerWaalsContact O-CB 3.27Å; Y300-L304 WeakPolarHBondContact O-CB 3.49Å; Y300-L304 WeakPolarHBondContact O-CD1 3.11Å; Y300-L304 WeakPolarHBondContact O-CG 3.3Å; Y300-L304 PolarHBondContact O-N 3.1Å; V302-L304 VanDerWaalsContact C-N 3.3Å; V302-L304 PolarHBondContact O-N 3.12Å; L304-I306 VanDerWaalsContact C-N 3.34Å; L304-I306 PolarHBondContact O-N 3.2Å; L304-K307 PolarHBondContact O-N 3.14Å; L304-L308 HydrophobicContact CD2-CD1 4.37Å; L304-L308 WeakPolarHBondContact O-CB 3.37Å; L304-L308 PolarHBondContact O-N 3.01Å; L304-L315 HydrophobicContact CB-CD1 3.41Å; L304-L315 VanDerWaalsContact CB-CD1 3.41Å; L304-M318 HydrophobicContact CD1-CB 4.26Å; L304-F406 HydrophobicContact CD2-CD2 4.4Å; L304-F406 HydrophobicContact CD2-CE2 3.91Å; L304-F406 HydrophobicContact CD2-CZ 4.31Å |
| 305 | C | 93.5 | Very high | 93.2 | Very high | 22 Ų | 22 | 55 Ų | 55 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 174.9 | -74.6 | 0 | 0 | 0 | 0 | 112.4 | A201 L205 T301 V302 K309 L315 | A201-C305 WeakPolarHBondContact CB-SG 3.26Å; L205-C305 HydrophobicContact CD1-CB 4.4Å; T301-C305 VanDerWaalsContact O-CB 3.27Å; T301-C305 WeakPolarHBondContact O-CB 3.23Å; T301-C305 PolarHBondContact O-N 3.09Å; T301-C305 PolarHBondContact O-SG 2.97Å; V302-C305 PolarHBondContact O-N 3.38Å; C305-K309 WeakPolarHBondContact O-CA 3.22Å; C305-K309 WeakPolarHBondContact O-CB 3.34Å; C305-K309 PolarHBondContact O-N 3.3Å; C305-L315 HydrophobicContact CB-CD2 4.37Å |
| 306 | I | 92.1 | Very high | 93.4 | Very high | 124 Ų | 124 | 50.4 Ų | 50.4 | 64% | 0.636 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -65.5 | -46 | 178.4 | -65.6 | 167.2 | 0 | 0 | 0 | 110.2 | V302 P303 L304 | V302-I306 HydrophobicContact CG1-CD1 4.14Å; V302-I306 WeakPolarHBondContact O-CG1 3.13Å; V302-I306 PolarHBondContact O-N 3.03Å; V302-I306 VanDerWaalsContact O-N 3.1Å; P303-I306 PolarHBondContact O-N 3.4Å; L304-I306 VanDerWaalsContact C-N 3.34Å; L304-I306 PolarHBondContact O-N 3.2Å |
| 307 | K | 93.4 | Very high | 93.6 | Very high | 120 Ų | 120 | 48.4 Ų | 48.4 | 52% | 0.522 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -75.4 | -39 | -174.4 | -174.6 | 60.1 | -179 | 178.7 | 0 | 113.3 | P303 L304 F406 L410 | P303-K307 WeakPolarHBondContact O-CB 3.32Å; P303-K307 PolarHBondContact O-N 3.24Å; L304-K307 PolarHBondContact O-N 3.14Å; K307-F406 HydrophobicContact CG-CZ 4.18Å; K307-L410 HydrophobicContact CD-CD2 4.42Å; K307-L410 HydrophobicContact CG-CD2 4.28Å |
| 308 | L | 92.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 20.6 | -173.5 | -61 | 174.7 | 0 | 0 | 0 | 113.1 | L304 D310 Q311 F314 L315 M318 F406 F409 | L304-L308 HydrophobicContact CD2-CD1 4.37Å; L304-L308 WeakPolarHBondContact O-CB 3.37Å; L304-L308 PolarHBondContact O-N 3.01Å; L308-D310 PolarHBondContact O-N 2.96Å; L308-D310 VanDerWaalsContact O-N 3.08Å; L308-Q311 CarbonylContact O-C 3.29Å; L308-Q311 PolarHBondContact O-N 3.15Å; L308-F314 HydrophobicContact CD1-CD1 3.61Å; L308-F314 HydrophobicContact CD1-CE1 4.04Å; L308-F314 HydrophobicContact CD2-CD1 3.8Å; L308-F314 HydrophobicContact CD2-CE1 4.24Å; L308-F314 HydrophobicContact CG-CD1 4.32Å; L308-L315 HydrophobicContact CB-CB 4.1Å; L308-L315 HydrophobicContact CB-CD1 4.37Å; L308-L315 HydrophobicContact CD1-CB 4.33Å; L308-L315 HydrophobicContact CD1-CD1 4.2Å; L308-M318 HydrophobicContact CD1-CG 4.16Å; L308-F406 HydrophobicContact CD1-CD2 4.29Å; L308-F406 HydrophobicContact CD1-CE2 3.95Å; L308-F406 HydrophobicContact CD2-CE2 4.14Å; L308-F406 HydrophobicContact CG-CE2 4.11Å; L308-F409 HydrophobicContact CD2-CD1 3.96Å; L308-F409 HydrophobicContact CD2-CE1 3.82Å |
| 309 | K | 91.1 | Very high | 94 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 39% | 0.391 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -37.2 | -177.5 | 70.1 | -177.4 | -175.9 | 176 | 0 | 113.2 | Q209 C305 Q311 | Q209-K309 PolarHBondContact NE2-O 3.04Å; C305-K309 WeakPolarHBondContact O-CA 3.22Å; C305-K309 WeakPolarHBondContact O-CB 3.34Å; C305-K309 PolarHBondContact O-N 3.3Å; K309-Q311 VanDerWaalsContact C-N 3.28Å; K309-Q311 PolarHBondContact O-N 3.26Å |
| 310 | D | 88.1 | Confident | 94.2 | Very high | 91 Ų | 91 | 40.1 Ų | 40.1 | 49% | 0.487 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -10.5 | -176.1 | -61.8 | -51.9 | 0 | 0 | 0 | 112.5 | L308 P312 | L308-D310 PolarHBondContact O-N 2.96Å; L308-D310 VanDerWaalsContact O-N 3.08Å; D310-P312 VanDerWaalsContact C-CD 3.42Å |
| 311 | Q | 92.5 | Very high | 94.4 | Very high | 80 Ų | 80 | 36 Ų | 36 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | trans | -133 | 60.4 | -172.3 | -61.1 | -71.3 | -10.8 | 0 | 0 | 111.3 | L308 K309 V313 F314 L315 F409 | L308-Q311 CarbonylContact O-C 3.29Å; L308-Q311 PolarHBondContact O-N 3.15Å; K309-Q311 VanDerWaalsContact C-N 3.28Å; K309-Q311 PolarHBondContact O-N 3.26Å; Q311-V313 VanDerWaalsContact C-N 3.29Å; Q311-V313 PolarHBondContact O-N 3.33Å; Q311-F314 HydrophobicContact CB-CB 4.42Å; Q311-F314 WeakPolarHBondContact O-CB 3.28Å; Q311-F314 PolarHBondContact O-N 3.11Å; Q311-L315 PolarHBondContact O-N 3.48Å; Q311-F409 HydrophobicContact CB-CE1 4.27Å; Q311-F409 HydrophobicContact CB-CZ 3.75Å; Q311-F409 HydrophobicContact CG-CE1 4.21Å; Q311-F409 HydrophobicContact CG-CZ 3.65Å | ||
| 312 | P | 93.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -23.6 | -169.2 | 22.5 | -32.2 | 0 | 0 | 0 | 114.7 | L205 Y206 Q209 D310 L315 M316 | L205-P312 HydrophobicContact CB-CB 4.01Å; Y206-P312 HydrophobicContact CD2-CG 3.9Å; Y206-P312 HydrophobicContact CG-CG 4.31Å; Q209-P312 VanDerWaalsContact OE1-CD 3.32Å; D310-P312 VanDerWaalsContact C-CD 3.42Å; P312-L315 WeakPolarHBondContact O-CB 3.29Å; P312-L315 PolarHBondContact O-N 3.21Å; P312-M316 WeakPolarHBondContact O-CG 3.44Å; P312-M316 PolarHBondContact O-N 2.93Å |
| 313 | V | 95.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.6 | -36 | 174.3 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | F102 Y206 Q311 L315 M316 F317 W345 | F102-V313 HydrophobicContact CD2-CB 4.3Å; F102-V313 HydrophobicContact CD2-CG1 4.29Å; F102-V313 HydrophobicContact CD2-CG2 3.72Å; F102-V313 HydrophobicContact CE1-CG1 4.27Å; F102-V313 HydrophobicContact CE2-CB 3.75Å; F102-V313 HydrophobicContact CE2-CG1 4.02Å; F102-V313 HydrophobicContact CE2-CG2 3.49Å; F102-V313 VanDerWaalsContact CE2-CG2 3.49Å; F102-V313 HydrophobicContact CZ-CB 3.98Å; F102-V313 HydrophobicContact CZ-CG1 4Å; F102-V313 HydrophobicContact CZ-CG2 4.24Å; Y206-V313 HydrophobicContact CD2-CG2 3.58Å; Y206-V313 HydrophobicContact CE2-CG2 3.52Å; Q311-V313 VanDerWaalsContact C-N 3.29Å; Q311-V313 PolarHBondContact O-N 3.33Å; V313-L315 VanDerWaalsContact C-N 3.32Å; V313-M316 HydrophobicContact CB-CE 4.16Å; V313-M316 HydrophobicContact CG1-CE 4.25Å; V313-M316 HydrophobicContact CG2-CE 3.87Å; V313-M316 PolarHBondContact O-N 2.97Å; V313-F317 PolarHBondContact O-N 2.98Å; V313-W345 HydrophobicContact CG1-CZ2 4.34Å |
| 314 | F | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 172.4 | -171.1 | -114.3 | 0 | 0 | 0 | 110.7 | L308 Q311 F317 M318 W345 L348 F406 F409 | L308-F314 HydrophobicContact CD1-CD1 3.61Å; L308-F314 HydrophobicContact CD1-CE1 4.04Å; L308-F314 HydrophobicContact CD2-CD1 3.8Å; L308-F314 HydrophobicContact CD2-CE1 4.24Å; L308-F314 HydrophobicContact CG-CD1 4.32Å; Q311-F314 HydrophobicContact CB-CB 4.42Å; Q311-F314 WeakPolarHBondContact O-CB 3.28Å; Q311-F314 PolarHBondContact O-N 3.11Å; F314-F317 HydrophobicContact CD2-CD1 4.05Å; F314-F317 AromaticContact CE2-CD1 3.86Å; F314-F317 HydrophobicContact CE2-CD1 3.86Å; F314-F317 HydrophobicContact CE2-CE1 4.16Å; F314-F317 WeakPolarHBondContact O-CB 3.27Å; F314-F317 PolarHBondContact O-N 2.93Å; F314-M318 HydrophobicContact CD1-CG 4.23Å; F314-M318 HydrophobicContact CE1-CG 3.98Å; F314-M318 HydrophobicContact CE1-SD 4.15Å; F314-M318 HydrophobicContact CZ-CG 4.23Å; F314-M318 HydrophobicContact CZ-SD 3.92Å; F314-M318 WeakPolarHBondContact O-CG 3.28Å; F314-M318 PolarHBondContact O-N 3.33Å; F314-W345 HydrophobicContact CB-CH2 3.51Å; F314-W345 HydrophobicContact CB-CZ2 3.91Å; F314-W345 HydrophobicContact CB-CZ3 4.01Å; F314-W345 AromaticContact CD2-CD2 3.71Å; F314-W345 HydrophobicContact CD2-CD2 3.71Å; F314-W345 AromaticContact CD2-CE2 3.61Å; F314-W345 AromaticContact CD2-CE3 3.7Å; F314-W345 HydrophobicContact CD2-CE3 3.7Å; F314-W345 AromaticContact CD2-CH2 3.69Å; F314-W345 HydrophobicContact CD2-CH2 3.69Å; F314-W345 AromaticContact CD2-CZ2 3.63Å; F314-W345 HydrophobicContact CD2-CZ2 3.63Å; F314-W345 AromaticContact CD2-CZ3 3.7Å; F314-W345 HydrophobicContact CD2-CZ3 3.7Å; F314-W345 HydrophobicContact CE2-CD2 4.11Å; F314-W345 HydrophobicContact CE2-CE3 4.26Å; F314-W345 HydrophobicContact CG-CH2 4.07Å; F314-W345 HydrophobicContact CG-CZ2 4.27Å; F314-W345 HydrophobicContact CG-CZ3 4.23Å; F314-L348 HydrophobicContact CE2-CD1 4.28Å; F314-F406 HydrophobicContact CE1-CD2 4.06Å; F314-F409 HydrophobicContact CB-CE2 4.19Å; F314-F409 HydrophobicContact CB-CZ 4.36Å; F314-F409 HydrophobicContact CD1-CB 4.31Å; F314-F409 AromaticContact CD1-CD1 3.78Å; F314-F409 HydrophobicContact CD1-CD1 3.78Å; F314-F409 AromaticContact CD1-CD2 3.89Å; F314-F409 HydrophobicContact CD1-CD2 3.89Å; F314-F409 HydrophobicContact CD1-CE1 4.04Å; F314-F409 HydrophobicContact CD1-CE2 4.13Å; F314-F409 AromaticContact CD1-CG 3.7Å; F314-F409 HydrophobicContact CD1-CG 3.7Å; F314-F409 HydrophobicContact CD1-CZ 4.2Å; F314-F409 AromaticContact CD2-CD2 3.93Å; F314-F409 HydrophobicContact CD2-CD2 3.93Å; F314-F409 HydrophobicContact CD2-CE2 4.28Å; F314-F409 HydrophobicContact CD2-CG 4.4Å; F314-F409 HydrophobicContact CE1-CB 3.56Å; F314-F409 AromaticContact CE1-CD1 3.75Å; F314-F409 HydrophobicContact CE1-CD1 3.75Å; F314-F409 AromaticContact CE1-CD2 3.97Å; F314-F409 HydrophobicContact CE1-CD2 3.97Å; F314-F409 HydrophobicContact CE1-CE1 4.47Å; F314-F409 AromaticContact CE1-CG 3.46Å; F314-F409 HydrophobicContact CE1-CG 3.46Å; F314-F409 VanDerWaalsContact CE1-CG 3.46Å; F314-F409 HydrophobicContact CE2-CB 4.16Å; F314-F409 HydrophobicContact CE2-CD2 4.01Å; F314-F409 HydrophobicContact CE2-CG 4.21Å; F314-F409 AromaticContact CG-CD2 3.88Å; F314-F409 HydrophobicContact CG-CD2 3.88Å; F314-F409 AromaticContact CG-CE2 3.94Å; F314-F409 HydrophobicContact CG-CE2 3.94Å; F314-F409 HydrophobicContact CG-CG 4.18Å; F314-F409 HydrophobicContact CG-CZ 4.3Å; F314-F409 HydrophobicContact CZ-CB 3.49Å; F314-F409 VanDerWaalsContact CZ-CB 3.49Å; F314-F409 HydrophobicContact CZ-CD1 4.48Å; F314-F409 HydrophobicContact CZ-CD2 4.04Å; F314-F409 AromaticContact CZ-CG 3.75Å; F314-F409 HydrophobicContact CZ-CG 3.75Å |
| 315 | L | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 173.1 | -179.2 | 62.1 | 0 | 0 | 0 | 112.7 | P202 L205 L304 C305 L308 Q311 P312 V313 F317 M318 Q319 | P202-L315 HydrophobicContact CB-CB 4.17Å; P202-L315 HydrophobicContact CB-CD2 3.75Å; P202-L315 HydrophobicContact CB-CG 3.77Å; P202-L315 HydrophobicContact CG-CD2 4.49Å; P202-L315 HydrophobicContact CG-CG 4.3Å; L205-L315 HydrophobicContact CD1-CD2 3.83Å; L304-L315 HydrophobicContact CB-CD1 3.41Å; L304-L315 VanDerWaalsContact CB-CD1 3.41Å; C305-L315 HydrophobicContact CB-CD2 4.37Å; L308-L315 HydrophobicContact CB-CB 4.1Å; L308-L315 HydrophobicContact CB-CD1 4.37Å; L308-L315 HydrophobicContact CD1-CB 4.33Å; L308-L315 HydrophobicContact CD1-CD1 4.2Å; Q311-L315 PolarHBondContact O-N 3.48Å; P312-L315 WeakPolarHBondContact O-CB 3.29Å; P312-L315 PolarHBondContact O-N 3.21Å; V313-L315 VanDerWaalsContact C-N 3.32Å; L315-F317 VanDerWaalsContact C-N 3.33Å; L315-F317 PolarHBondContact O-N 3.29Å; L315-M318 PolarHBondContact O-N 3.18Å; L315-Q319 WeakPolarHBondContact O-CB 3.47Å; L315-Q319 PolarHBondContact O-N 3.02Å |
| 316 | M | 96.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 172.8 | -72.3 | -168.9 | -75.1 | 0 | 0 | 111.6 | F170 T174 P202 P312 V313 Q319 L320 | F170-M316 HydrophobicContact CE1-SD 4.41Å; T174-M316 HydrophobicContact CG2-CE 4.37Å; T174-M316 HydrophobicContact CG2-SD 4.28Å; P202-M316 HydrophobicContact CB-CB 4.49Å; P202-M316 HydrophobicContact CB-CG 3.54Å; P202-M316 HydrophobicContact CG-CG 3.89Å; P312-M316 WeakPolarHBondContact O-CG 3.44Å; P312-M316 PolarHBondContact O-N 2.93Å; V313-M316 HydrophobicContact CB-CE 4.16Å; V313-M316 HydrophobicContact CG1-CE 4.25Å; V313-M316 HydrophobicContact CG2-CE 3.87Å; V313-M316 PolarHBondContact O-N 2.97Å; M316-Q319 PolarHBondContact O-N 3.42Å; M316-L320 WeakPolarHBondContact O-CG 3.32Å; M316-L320 PolarHBondContact O-N 3.28Å |
| 317 | F | 97 | Very high | 94.9 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 176.5 | 164 | -107.5 | 0 | 0 | 0 | 112.1 | V313 F314 L315 Q319 L320 A321 Y338 F341 L342 W345 Y405 | V313-F317 PolarHBondContact O-N 2.98Å; F314-F317 HydrophobicContact CD2-CD1 4.05Å; F314-F317 AromaticContact CE2-CD1 3.86Å; F314-F317 HydrophobicContact CE2-CD1 3.86Å; F314-F317 HydrophobicContact CE2-CE1 4.16Å; F314-F317 WeakPolarHBondContact O-CB 3.27Å; F314-F317 PolarHBondContact O-N 2.93Å; L315-F317 VanDerWaalsContact C-N 3.33Å; L315-F317 PolarHBondContact O-N 3.29Å; F317-Q319 VanDerWaalsContact C-N 3.33Å; F317-Q319 PolarHBondContact O-N 3.49Å; F317-L320 PolarHBondContact O-N 2.97Å; F317-A321 PolarHBondContact O-N 3.47Å; F317-A321 VanDerWaalsContact O-N 3.13Å; F317-Y338 HydrophobicContact CE2-CD2 4.22Å; F317-Y338 WeakPolarHBondContact CE2-O 3.19Å; F317-F341 HydrophobicContact CD2-CB 3.48Å; F317-F341 VanDerWaalsContact CD2-CB 3.48Å; F317-F341 HydrophobicContact CD2-CG 4.26Å; F317-F341 HydrophobicContact CE2-CB 3.97Å; F317-F341 HydrophobicContact CG-CB 4.4Å; F317-L342 HydrophobicContact CE2-CD2 4.16Å; F317-L342 HydrophobicContact CZ-CD2 3.88Å; F317-W345 HydrophobicContact CB-CZ2 4.42Å; F317-W345 AromaticContact CD1-NE1 3.6Å; F317-W345 AromaticContact CD2-NE1 3.94Å; F317-W345 AromaticContact CG-NE1 3.47Å; F317-Y405 HydrophobicContact CE1-CG 4.5Å |
| 318 | M | 96.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 17.9 Ų | 17.9 | 4% | 0.044 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | 177.3 | -67 | -61.3 | -63.2 | 0 | 0 | 111.7 | L304 L308 F314 L315 A321 V322 V402 F406 | L304-M318 HydrophobicContact CD1-CB 4.26Å; L308-M318 HydrophobicContact CD1-CG 4.16Å; F314-M318 HydrophobicContact CD1-CG 4.23Å; F314-M318 HydrophobicContact CE1-CG 3.98Å; F314-M318 HydrophobicContact CE1-SD 4.15Å; F314-M318 HydrophobicContact CZ-CG 4.23Å; F314-M318 HydrophobicContact CZ-SD 3.92Å; F314-M318 WeakPolarHBondContact O-CG 3.28Å; F314-M318 PolarHBondContact O-N 3.33Å; L315-M318 PolarHBondContact O-N 3.18Å; M318-A321 PolarHBondContact O-N 3.36Å; M318-V322 WeakPolarHBondContact O-CG2 3.27Å; M318-V322 PolarHBondContact O-N 3.48Å; M318-V402 HydrophobicContact CE-CG1 3.24Å; M318-V402 HydrophobicContact SD-CG1 3.84Å; M318-F406 HydrophobicContact CE-CB 3.75Å; M318-F406 HydrophobicContact CE-CD2 4.01Å; M318-F406 HydrophobicContact CE-CG 4.12Å; M318-F406 HydrophobicContact SD-CB 4.26Å |
| 319 | Q | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.8 | -39.5 | -179.3 | -165.9 | 62.5 | 39.4 | 0 | 0 | 112.2 | T198 L199 V297 T301 L315 M316 F317 A321 V322 I323 | T198-Q319 VanDerWaalsContact OG1-CG 3.28Å; T198-Q319 WeakPolarHBondContact OG1-CG 3.21Å; T198-Q319 PolarHBondContact OG1-NE2 3.43Å; L199-Q319 HydrophobicContact CD2-CB 3.78Å; L199-Q319 HydrophobicContact CD2-CG 3.86Å; L199-Q319 HydrophobicContact CG-CG 4.43Å; V297-Q319 PolarHBondContact O-NE2 3.13Å; T301-Q319 PolarHBondContact OG1-NE2 2.56Å; T301-Q319 PolarHBondContact OG1-OE1 3.04Å; L315-Q319 WeakPolarHBondContact O-CB 3.47Å; L315-Q319 PolarHBondContact O-N 3.02Å; M316-Q319 PolarHBondContact O-N 3.42Å; F317-Q319 VanDerWaalsContact C-N 3.33Å; F317-Q319 PolarHBondContact O-N 3.49Å; Q319-A321 VanDerWaalsContact C-N 3.27Å; Q319-A321 PolarHBondContact O-N 2.97Å; Q319-V322 PolarHBondContact O-N 2.87Å; Q319-I323 HydrophobicContact CG-CD1 4.3Å; Q319-I323 VanDerWaalsContact O-CG1 3.23Å; Q319-I323 WeakPolarHBondContact O-CG1 3.49Å; Q319-I323 PolarHBondContact O-N 3.18Å |
| 320 | L | 96.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 13.5 Ų | 13.5 | 6% | 0.063 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59 | -40.5 | 172.7 | -73.9 | 173.6 | 0 | 0 | 0 | 111.6 | L167 L199 M316 F317 S324 L337 F341 | L167-L320 HydrophobicContact CD1-CD2 4.39Å; L199-L320 HydrophobicContact CD1-CD2 3.81Å; L199-L320 HydrophobicContact CD2-CD2 4.23Å; L199-L320 HydrophobicContact CD2-CG 4.18Å; M316-L320 WeakPolarHBondContact O-CG 3.32Å; M316-L320 PolarHBondContact O-N 3.28Å; F317-L320 PolarHBondContact O-N 2.97Å; L320-S324 WeakPolarHBondContact O-CB 3.45Å; L320-S324 PolarHBondContact O-N 2.93Å; L320-L337 HydrophobicContact CD2-CD2 4.26Å; L320-F341 HydrophobicContact CD1-CD2 4.35Å; L320-F341 HydrophobicContact CD1-CE2 3.79Å; L320-F341 HydrophobicContact CD1-CZ 4.12Å |
| 321 | A | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -68.7 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F317 M318 Q319 I323 S324 I325 Y338 V402 | F317-A321 PolarHBondContact O-N 3.47Å; F317-A321 VanDerWaalsContact O-N 3.13Å; M318-A321 PolarHBondContact O-N 3.36Å; Q319-A321 VanDerWaalsContact C-N 3.27Å; Q319-A321 PolarHBondContact O-N 2.97Å; A321-I323 PolarHBondContact O-N 3.3Å; A321-S324 PolarHBondContact O-N 3.36Å; A321-I325 WeakPolarHBondContact O-CD1 3.25Å; A321-I325 VanDerWaalsContact O-CG1 3.27Å; A321-I325 WeakPolarHBondContact O-CG1 3.38Å; A321-I325 PolarHBondContact O-N 2.9Å; A321-Y338 HydrophobicContact CB-CD1 4.37Å; A321-Y338 HydrophobicContact CB-CD2 3.84Å; A321-Y338 HydrophobicContact CB-CE2 4.26Å; A321-Y338 HydrophobicContact CB-CG 3.93Å; A321-V402 HydrophobicContact CB-CG1 4.28Å; A321-V402 HydrophobicContact CB-CG2 3.46Å; A321-V402 VanDerWaalsContact CB-CG2 3.46Å |
| 322 | V | 96.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 5.6 Ų | 5.6 | 7% | 0.073 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 174.3 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | Y300 M318 Q319 S324 I325 F326 | Y300-V322 HydrophobicContact CD2-CG1 3.95Å; M318-V322 WeakPolarHBondContact O-CG2 3.27Å; M318-V322 PolarHBondContact O-N 3.48Å; Q319-V322 PolarHBondContact O-N 2.87Å; V322-S324 VanDerWaalsContact C-N 3.34Å; V322-S324 PolarHBondContact O-N 3.08Å; V322-I325 PolarHBondContact O-N 2.95Å; V322-F326 HydrophobicContact CG1-CD2 4.11Å; V322-F326 PolarHBondContact O-N 3.23Å |
| 323 | I | 96.2 | Very high | 95.6 | Very high | 16 Ų | 16 | 5.4 Ų | 5.4 | 8% | 0.082 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -57.8 | -49.2 | 174.5 | -67.5 | 163.6 | 0 | 0 | 0 | 109.6 | T198 L199 V297 Q319 A321 I325 F326 K327 | T198-I323 WeakPolarHBondContact OG1-CD1 3.19Å; L199-I323 HydrophobicContact CD1-CD1 4.31Å; L199-I323 HydrophobicContact CG-CD1 4.15Å; V297-I323 HydrophobicContact CG1-CG1 4.17Å; Q319-I323 HydrophobicContact CG-CD1 4.3Å; Q319-I323 VanDerWaalsContact O-CG1 3.23Å; Q319-I323 WeakPolarHBondContact O-CG1 3.49Å; Q319-I323 PolarHBondContact O-N 3.18Å; A321-I323 PolarHBondContact O-N 3.3Å; I323-I325 VanDerWaalsContact C-N 3.29Å; I323-I325 PolarHBondContact O-N 3.01Å; I323-F326 PolarHBondContact O-N 3.5Å; I323-K327 WeakPolarHBondContact O-CB 3.47Å; I323-K327 PolarHBondContact O-N 3.42Å |
| 324 | S | 94.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 6.1 Ų | 6.1 | 2% | 0.021 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -62.9 | -31.9 | -177.7 | -173 | 0 | 0 | 0 | 0 | 114 | L320 A321 V322 T335 | L320-S324 WeakPolarHBondContact O-CB 3.45Å; L320-S324 PolarHBondContact O-N 2.93Å; A321-S324 PolarHBondContact O-N 3.36Å; V322-S324 VanDerWaalsContact C-N 3.34Å; V322-S324 PolarHBondContact O-N 3.08Å; S324-T335 VanDerWaalsContact OG-CA 3.26Å; S324-T335 WeakPolarHBondContact OG-CA 3.38Å; S324-T335 VanDerWaalsContact OG-CG2 3.3Å; S324-T335 WeakPolarHBondContact OG-CG2 3.22Å; S324-T335 PolarHBondContact OG-N 2.67Å |
| 325 | I | 95.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 6.2 Ų | 6.2 | 2% | 0.021 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -80.3 | -41.3 | -178.8 | -67.3 | 163 | 0 | 0 | 0 | 111.4 | A321 V322 I323 Q398 I399 V402 | A321-I325 WeakPolarHBondContact O-CD1 3.25Å; A321-I325 VanDerWaalsContact O-CG1 3.27Å; A321-I325 WeakPolarHBondContact O-CG1 3.38Å; A321-I325 PolarHBondContact O-N 2.9Å; V322-I325 PolarHBondContact O-N 2.95Å; I323-I325 VanDerWaalsContact C-N 3.29Å; I323-I325 PolarHBondContact O-N 3.01Å; I325-Q398 HydrophobicContact CD1-CB 3.97Å; I325-Q398 HydrophobicContact CG1-CB 3.89Å; I325-I399 HydrophobicContact CD1-CG1 3.99Å; I325-I399 HydrophobicContact CG2-CD1 4.12Å; I325-I399 HydrophobicContact CG2-CG1 3.89Å; I325-V402 HydrophobicContact CD1-CG2 4.22Å |
| 326 | F | 95.1 | Very high | 95.4 | Very high | 29 Ų | 29 | 6.2 Ų | 6.2 | 13% | 0.127 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -107.5 | 0.5 | -169.2 | -68.1 | -73.2 | 0 | 0 | 0 | 114.8 | L273 F274 N296 V297 Y300 V322 I323 I399 | L273-F326 HydrophobicContact CD1-CD1 3.97Å; L273-F326 HydrophobicContact CD1-CE1 4.05Å; F274-F326 WeakPolarHBondContact CE2-O 3.47Å; N296-F326 HydrophobicContact CB-CD1 4.09Å; N296-F326 HydrophobicContact CB-CE1 4.36Å; N296-F326 HydrophobicContact CB-CG 4.32Å; V297-F326 HydrophobicContact CG2-CB 3.49Å; V297-F326 VanDerWaalsContact CG2-CB 3.49Å; V297-F326 WeakPolarHBondContact CG2-O 3.32Å; Y300-F326 HydrophobicContact CD2-CE2 4.34Å; Y300-F326 HydrophobicContact CE2-CD2 4.35Å; Y300-F326 AromaticContact CE2-CE2 3.73Å; Y300-F326 HydrophobicContact CE2-CE2 3.73Å; Y300-F326 HydrophobicContact CE2-CZ 4.09Å; V322-F326 HydrophobicContact CG1-CD2 4.11Å; V322-F326 PolarHBondContact O-N 3.23Å; I323-F326 PolarHBondContact O-N 3.5Å; F326-I399 HydrophobicContact CZ-CD1 4.46Å |
| 327 | K | 94.1 | Very high | 95.3 | Very high | 14 Ų | 14 | 6.4 Ų | 6.4 | 6% | 0.061 | 3% | 0.032 | C | C | . | . | trans | -58.2 | 144.7 | 171.4 | 172.5 | 177.3 | -176.5 | -162.4 | 0 | 110.6 | Y195 I323 P330 D334 | Y195-K327 HydrophobicContact CD2-CB 4.18Å; Y195-K327 HydrophobicContact CD2-CD 4.36Å; Y195-K327 HydrophobicContact CD2-CG 3.8Å; Y195-K327 HydrophobicContact CE2-CB 4.15Å; Y195-K327 HydrophobicContact CE2-CG 3.63Å; I323-K327 WeakPolarHBondContact O-CB 3.47Å; I323-K327 PolarHBondContact O-N 3.42Å; K327-P330 HydrophobicContact CB-CB 4.44Å; K327-P330 WeakPolarHBondContact O-CD 3.22Å; K327-D334 IonicContact NZ-OD1 3.69Å; K327-D334 PolarHBondContact NZ-OD1 2.95Å; K327-D334 IonicContact NZ-OD2 3.23Å; K327-D334 PolarHBondContact NZ-OD2 3.13Å | ||
| 328 | S | 93.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -66.8 | -38.1 | -177.1 | -67.4 | 0 | 0 | 0 | 0 | 114.7 | Y195 I261 V264 F274 Q294 P330 | Y195-S328 VanDerWaalsContact OH-CB 3.32Å; Y195-S328 WeakPolarHBondContact OH-CB 3.14Å; Y195-S328 PolarHBondContact OH-N 2.95Å; Y195-S328 PolarHBondContact OH-OG 3.44Å; I261-S328 PolarHBondContact O-OG 3.49Å; V264-S328 WeakPolarHBondContact CG2-OG 3.27Å; F274-S328 VanDerWaalsContact CE1-OG 3.28Å; F274-S328 WeakPolarHBondContact CE1-OG 3.49Å; F274-S328 VanDerWaalsContact CZ-OG 3.28Å; F274-S328 WeakPolarHBondContact CZ-OG 3.48Å; Q294-S328 PolarHBondContact NE2-OG 3.29Å; Q294-S328 PolarHBondContact OE1-OG 3.05Å; S328-P330 WeakPolarHBondContact O-CD 2.99Å |
| 329 | Y | 94.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 0% | 0.004 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -125.8 | 70.6 | 178.6 | -61 | -81.7 | 0 | 0 | 0 | 110.5 | P37 I38 F260 V264 P265 D266 | P37-Y329 HydrophobicContact CB-CE1 4.42Å; P37-Y329 HydrophobicContact CG-CD1 4.1Å; P37-Y329 HydrophobicContact CG-CE1 3.98Å; I38-Y329 HydrophobicContact CD1-CD2 3.34Å; I38-Y329 HydrophobicContact CD1-CE2 3.96Å; I38-Y329 HydrophobicContact CD1-CG 3.97Å; I38-Y329 HydrophobicContact CG1-CD2 3.99Å; I38-Y329 HydrophobicContact CG1-CE2 4.46Å; I38-Y329 HydrophobicContact CG1-CG 4.3Å; F260-Y329 AromaticContact CD1-CE2 3.79Å; F260-Y329 HydrophobicContact CD1-CE2 3.79Å; F260-Y329 HydrophobicContact CE1-CD2 4.31Å; F260-Y329 HydrophobicContact CE1-CE1 4.2Å; F260-Y329 AromaticContact CE1-CE2 3.51Å; F260-Y329 HydrophobicContact CE1-CE2 3.51Å; F260-Y329 AromaticContact CE1-CZ 3.42Å; F260-Y329 VanDerWaalsContact CE1-CZ 3.42Å; F260-Y329 VanDerWaalsContact CE1-OH 3.29Å; F260-Y329 WeakPolarHBondContact CE1-OH 3.46Å; F260-Y329 HydrophobicContact CZ-CE2 4.43Å; F260-Y329 AromaticContact CZ-CZ 3.93Å; F260-Y329 WeakPolarHBondContact CZ-OH 3.31Å; V264-Y329 WeakPolarHBondContact CA-OH 3.35Å; V264-Y329 HydrophobicContact CG1-CE1 4.2Å; V264-Y329 HydrophobicContact CG1-CE2 4.2Å; P265-Y329 WeakPolarHBondContact CD-OH 3.36Å; D266-Y329 HydrophobicContact CB-CE1 4.35Å; D266-Y329 PolarHBondContact N-OH 3.08Å; D266-Y329 VanDerWaalsContact O-CE1 3.26Å; D266-Y329 WeakPolarHBondContact O-CE1 3.26Å; D266-Y329 PolarHBondContact O-OH 2.81Å |
| 330 | P | 95.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.006 | 4% | 0.037 | C | C | . | . | trans | -78.7 | 147.6 | -179.5 | 32.9 | -29.2 | 0 | 0 | 0 | 110.4 | I271 K327 S328 | I271-P330 HydrophobicContact CG1-CB 4.42Å; I271-P330 HydrophobicContact CG1-CG 4.27Å; I271-P330 WeakPolarHBondContact CG1-O 3.13Å; K327-P330 HydrophobicContact CB-CB 4.44Å; K327-P330 WeakPolarHBondContact O-CD 3.22Å; S328-P330 WeakPolarHBondContact O-CD 2.99Å | ||
| 331 | T | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | trans | -122.6 | 162.1 | 173.9 | 60.2 | 0 | 0 | 0 | 0 | 109.8 | G333 D334 T335 | T331-G333 PolarHBondContact O-N 3.15Å; T331-G333 VanDerWaalsContact O-N 3.13Å; T331-D334 PolarHBondContact N-OD2 2.84Å; T331-D334 WeakPolarHBondContact O-CB 3.14Å; T331-D334 PolarHBondContact O-N 3.14Å; T331-D334 PolarHBondContact OG1-OD2 3.37Å; T331-T335 PolarHBondContact O-N 2.85Å | ||
| 332 | V | 95 | Very high | 95 | Very high | 4 Ų | 4 | 8 Ų | 8 | 2% | 0.024 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.5 | -28 | 175.9 | -66 | 0 | 0 | 0 | 0 | 111.9 | E33 V34 F149 I271 D334 T335 A336 | E33-V332 HydrophobicContact CB-CG1 4.13Å; E33-V332 WeakPolarHBondContact O-CG1 3.44Å; E33-V332 PolarHBondContact O-N 2.96Å; V34-V332 HydrophobicContact CG2-CG2 4.25Å; F149-V332 HydrophobicContact CB-CB 3.87Å; F149-V332 HydrophobicContact CB-CG2 4.03Å; F149-V332 HydrophobicContact CD1-CB 3.81Å; F149-V332 HydrophobicContact CD1-CG1 4.12Å; F149-V332 HydrophobicContact CD1-CG2 4.2Å; F149-V332 HydrophobicContact CD2-CB 4.14Å; F149-V332 HydrophobicContact CE1-CB 4.35Å; F149-V332 HydrophobicContact CE1-CG1 4.19Å; F149-V332 HydrophobicContact CG-CB 3.7Å; F149-V332 HydrophobicContact CG-CG1 4.41Å; F149-V332 HydrophobicContact CG-CG2 4.24Å; I271-V332 HydrophobicContact CD1-CG1 3.95Å; V332-D334 VanDerWaalsContact C-N 3.33Å; V332-D334 PolarHBondContact O-N 3.27Å; V332-T335 PolarHBondContact O-N 3.27Å; V332-T335 PolarHBondContact O-OG1 3.22Å; V332-A336 PolarHBondContact O-N 2.78Å |
| 333 | G | 93.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62 | -34.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | S153 N164 T331 A336 | S153-G333 WeakPolarHBondContact OG-CA 3.38Å; S153-G333 PolarHBondContact OG-N 3.48Å; N164-G333 PolarHBondContact ND2-O 3.43Å; T331-G333 PolarHBondContact O-N 3.15Å; T331-G333 VanDerWaalsContact O-N 3.13Å; G333-A336 PolarHBondContact O-N 2.87Å |
| 334 | D | 93.9 | Very high | 94.8 | Very high | 21 Ų | 21 | 7 Ų | 7 | 11% | 0.112 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 175.2 | -64.1 | -64.1 | 0 | 0 | 0 | 110.3 | C160 K327 T331 V332 A336 L337 | C160-D334 PolarHBondContact SG-N 3.22Å; K327-D334 IonicContact NZ-OD1 3.69Å; K327-D334 PolarHBondContact NZ-OD1 2.95Å; K327-D334 IonicContact NZ-OD2 3.23Å; K327-D334 PolarHBondContact NZ-OD2 3.13Å; T331-D334 PolarHBondContact N-OD2 2.84Å; T331-D334 WeakPolarHBondContact O-CB 3.14Å; T331-D334 PolarHBondContact O-N 3.14Å; T331-D334 PolarHBondContact OG1-OD2 3.37Å; V332-D334 VanDerWaalsContact C-N 3.33Å; V332-D334 PolarHBondContact O-N 3.27Å; D334-A336 VanDerWaalsContact C-N 3.31Å; D334-A336 PolarHBondContact O-N 3.12Å; D334-L337 PolarHBondContact O-N 2.82Å |
| 335 | T | 94.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.006 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -66.2 | -36.1 | 178.2 | 69.2 | 0 | 0 | 0 | 0 | 112 | F149 I271 S324 T331 V332 L337 Y338 L339 F394 | F149-T335 WeakPolarHBondContact CD2-OG1 3.08Å; I271-T335 HydrophobicContact CD1-CG2 4.15Å; S324-T335 VanDerWaalsContact OG-CA 3.26Å; S324-T335 WeakPolarHBondContact OG-CA 3.38Å; S324-T335 VanDerWaalsContact OG-CG2 3.3Å; S324-T335 WeakPolarHBondContact OG-CG2 3.22Å; S324-T335 PolarHBondContact OG-N 2.67Å; T331-T335 PolarHBondContact O-N 2.85Å; V332-T335 PolarHBondContact O-N 3.27Å; V332-T335 PolarHBondContact O-OG1 3.22Å; T335-L337 VanDerWaalsContact C-N 3.25Å; T335-L337 PolarHBondContact O-N 3.09Å; T335-Y338 HydrophobicContact CG2-CE1 4.38Å; T335-Y338 WeakPolarHBondContact O-CD1 3.27Å; T335-Y338 WeakPolarHBondContact O-CE1 3.09Å; T335-Y338 PolarHBondContact O-N 2.88Å; T335-L339 WeakPolarHBondContact O-CG 3.28Å; T335-L339 PolarHBondContact O-N 3.22Å; T335-F394 HydrophobicContact CG2-CE1 4.13Å; T335-F394 HydrophobicContact CG2-CZ 4.42Å |
| 336 | A | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.2 | -32.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F149 T150 V332 G333 D334 A340 | F149-A336 HydrophobicContact CB-CB 3.79Å; T150-A336 HydrophobicContact CG2-CB 3.48Å; T150-A336 VanDerWaalsContact CG2-CB 3.48Å; V332-A336 PolarHBondContact O-N 2.78Å; G333-A336 PolarHBondContact O-N 2.87Å; D334-A336 VanDerWaalsContact C-N 3.31Å; D334-A336 PolarHBondContact O-N 3.12Å; A336-A340 PolarHBondContact O-N 3.27Å; A336-A340 VanDerWaalsContact O-N 3.12Å |
| 337 | L | 95.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 8.1 Ų | 8.1 | 3% | 0.031 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -65 | -50.3 | -178.8 | -175.4 | 68.5 | 0 | 0 | 0 | 111.7 | T91 L95 Y144 N164 L167 L320 D334 T335 A340 F341 | T91-L337 HydrophobicContact CG2-CD1 4.08Å; L95-L337 HydrophobicContact CD1-CD1 4.32Å; Y144-L337 HydrophobicContact CE2-CD1 4.09Å; N164-L337 HydrophobicContact CB-CD1 4.22Å; N164-L337 WeakPolarHBondContact OD1-CD2 3.31Å; L167-L337 HydrophobicContact CB-CD2 3.9Å; L167-L337 HydrophobicContact CD1-CD2 3.65Å; L167-L337 HydrophobicContact CG-CD2 4.44Å; L320-L337 HydrophobicContact CD2-CD2 4.26Å; D334-L337 PolarHBondContact O-N 2.82Å; T335-L337 VanDerWaalsContact C-N 3.25Å; T335-L337 PolarHBondContact O-N 3.09Å; L337-A340 WeakPolarHBondContact O-CB 3.23Å; L337-A340 PolarHBondContact O-N 2.98Å; L337-F341 WeakPolarHBondContact O-CD2 3.32Å |
| 338 | Y | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 7.4 Ų | 7.4 | 1% | 0.012 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -72.1 | -32.9 | -179.9 | 83.3 | -98.8 | 0 | 0 | 0 | 111.4 | F317 A321 T335 A340 F341 Q398 L401 | F317-Y338 HydrophobicContact CE2-CD2 4.22Å; F317-Y338 WeakPolarHBondContact CE2-O 3.19Å; A321-Y338 HydrophobicContact CB-CD1 4.37Å; A321-Y338 HydrophobicContact CB-CD2 3.84Å; A321-Y338 HydrophobicContact CB-CE2 4.26Å; A321-Y338 HydrophobicContact CB-CG 3.93Å; T335-Y338 HydrophobicContact CG2-CE1 4.38Å; T335-Y338 WeakPolarHBondContact O-CD1 3.27Å; T335-Y338 WeakPolarHBondContact O-CE1 3.09Å; T335-Y338 PolarHBondContact O-N 2.88Å; Y338-A340 PolarHBondContact O-N 3.34Å; Y338-F341 WeakPolarHBondContact O-CB 3.23Å; Y338-F341 PolarHBondContact O-N 3.44Å; Y338-Q398 VanDerWaalsContact OH-CG 3.27Å; Y338-Q398 WeakPolarHBondContact OH-CG 3.47Å; Y338-Q398 PolarHBondContact OH-OE1 3.4Å; Y338-L401 HydrophobicContact CE2-CD2 4.43Å |
| 339 | L | 95.4 | Very high | 93.6 | Very high | 25 Ų | 25 | 12 Ų | 12 | 13% | 0.131 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60 | -30.3 | 174.4 | -69.8 | 174.6 | 0 | 0 | 0 | 112 | F149 T335 F341 L342 L401 | F149-L339 HydrophobicContact CD2-CD1 4.38Å; F149-L339 HydrophobicContact CE2-CD1 4.3Å; T335-L339 WeakPolarHBondContact O-CG 3.28Å; T335-L339 PolarHBondContact O-N 3.22Å; L339-F341 PolarHBondContact O-N 3.48Å; L339-L342 HydrophobicContact CB-CD1 4.39Å; L339-L342 HydrophobicContact CD2-CD1 3.63Å; L339-L342 HydrophobicContact CD2-CG 4.4Å; L339-L342 WeakPolarHBondContact O-CB 3.48Å; L339-L342 VanDerWaalsContact O-CG 3.23Å; L339-L342 WeakPolarHBondContact O-CG 3.47Å; L339-L342 PolarHBondContact O-N 3.09Å; L339-L342 VanDerWaalsContact O-N 3.14Å; L339-L401 HydrophobicContact CD2-CD2 3.85Å |
| 340 | A | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L95 V140 Y144 A336 L337 Y338 P343 | L95-A340 HydrophobicContact CD1-CB 4.25Å; V140-A340 WeakPolarHBondContact CG1-O 3.16Å; Y144-A340 HydrophobicContact CD2-CB 3.91Å; Y144-A340 HydrophobicContact CG-CB 4.31Å; A336-A340 PolarHBondContact O-N 3.27Å; A336-A340 VanDerWaalsContact O-N 3.12Å; L337-A340 WeakPolarHBondContact O-CB 3.23Å; L337-A340 PolarHBondContact O-N 2.98Å; Y338-A340 PolarHBondContact O-N 3.34Å; A340-P343 VanDerWaalsContact O-CD 3.26Å; A340-P343 WeakPolarHBondContact O-CD 3.27Å |
| 341 | F | 95.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.018 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -12.9 | 176.4 | -74.4 | -99.5 | 0 | 0 | 0 | 113.4 | L95 M99 V171 F317 L320 L337 Y338 L339 P343 V344 W345 | L95-F341 HydrophobicContact CD1-CE2 4.5Å; L95-F341 HydrophobicContact CD2-CE1 4.29Å; L95-F341 HydrophobicContact CD2-CE2 3.83Å; L95-F341 HydrophobicContact CD2-CZ 3.47Å; L95-F341 VanDerWaalsContact CD2-CZ 3.47Å; M99-F341 HydrophobicContact CE-CD1 4.39Å; M99-F341 HydrophobicContact CE-CE1 3.79Å; M99-F341 HydrophobicContact SD-CD1 4.47Å; M99-F341 HydrophobicContact SD-CE1 4.43Å; V171-F341 HydrophobicContact CG1-CE1 4.22Å; V171-F341 HydrophobicContact CG1-CZ 4.13Å; V171-F341 HydrophobicContact CG2-CZ 4.24Å; F317-F341 HydrophobicContact CD2-CB 3.48Å; F317-F341 VanDerWaalsContact CD2-CB 3.48Å; F317-F341 HydrophobicContact CD2-CG 4.26Å; F317-F341 HydrophobicContact CE2-CB 3.97Å; F317-F341 HydrophobicContact CG-CB 4.4Å; L320-F341 HydrophobicContact CD1-CD2 4.35Å; L320-F341 HydrophobicContact CD1-CE2 3.79Å; L320-F341 HydrophobicContact CD1-CZ 4.12Å; L337-F341 WeakPolarHBondContact O-CD2 3.32Å; Y338-F341 WeakPolarHBondContact O-CB 3.23Å; Y338-F341 PolarHBondContact O-N 3.44Å; L339-F341 PolarHBondContact O-N 3.48Å; F341-P343 VanDerWaalsContact C-CD 3.4Å; F341-P343 VanDerWaalsContact C-N 3.32Å; F341-V344 HydrophobicContact CD1-CG2 4.41Å; F341-V344 WeakPolarHBondContact O-CB 3.22Å; F341-V344 WeakPolarHBondContact O-CG2 3.29Å; F341-V344 PolarHBondContact O-N 3.28Å; F341-W345 VanDerWaalsContact O-CD1 3.3Å |
| 342 | L | 94.5 | Very high | 92.4 | Very high | 24 Ų | 24 | 21.2 Ų | 21.2 | 13% | 0.126 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -53.1 | -40.5 | -178.9 | -63.3 | 175.6 | 0 | 0 | 0 | 113.9 | F317 L339 V344 W345 L401 Y405 | F317-L342 HydrophobicContact CE2-CD2 4.16Å; F317-L342 HydrophobicContact CZ-CD2 3.88Å; L339-L342 HydrophobicContact CB-CD1 4.39Å; L339-L342 HydrophobicContact CD2-CD1 3.63Å; L339-L342 HydrophobicContact CD2-CG 4.4Å; L339-L342 WeakPolarHBondContact O-CB 3.48Å; L339-L342 VanDerWaalsContact O-CG 3.23Å; L339-L342 WeakPolarHBondContact O-CG 3.47Å; L339-L342 PolarHBondContact O-N 3.09Å; L339-L342 VanDerWaalsContact O-N 3.14Å; L342-V344 PolarHBondContact O-N 3.46Å; L342-W345 PolarHBondContact O-N 2.89Å; L342-L401 HydrophobicContact CD1-CD2 4.41Å; L342-L401 HydrophobicContact CD2-CD2 4.4Å; L342-Y405 HydrophobicContact CD2-CD2 4.15Å; L342-Y405 HydrophobicContact CD2-CE1 4.34Å; L342-Y405 HydrophobicContact CD2-CE2 3.54Å |
| 343 | P | 94.3 | Very high | 92 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.039 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -64.5 | -23.8 | 177.5 | -22.5 | 35.3 | 0 | 0 | 0 | 114.4 | K139 V140 F143 A340 F341 W345 S346 | K139-P343 HydrophobicContact CB-CB 3.73Å; K139-P343 HydrophobicContact CB-CG 4.26Å; V140-P343 HydrophobicContact CG2-CB 4.11Å; V140-P343 HydrophobicContact CG2-CG 4.44Å; F143-P343 HydrophobicContact CB-CG 3.97Å; F143-P343 HydrophobicContact CD1-CG 3.92Å; F143-P343 HydrophobicContact CD2-CG 3.49Å; F143-P343 VanDerWaalsContact CD2-CG 3.49Å; F143-P343 HydrophobicContact CE1-CG 4.27Å; F143-P343 HydrophobicContact CE2-CG 3.87Å; F143-P343 HydrophobicContact CG-CG 3.5Å; F143-P343 HydrophobicContact CZ-CG 4.25Å; A340-P343 VanDerWaalsContact O-CD 3.26Å; A340-P343 WeakPolarHBondContact O-CD 3.27Å; F341-P343 VanDerWaalsContact C-CD 3.4Å; F341-P343 VanDerWaalsContact C-N 3.32Å; P343-W345 PolarHBondContact O-N 3.48Å; P343-S346 WeakPolarHBondContact O-CB 3.22Å; P343-S346 PolarHBondContact O-N 2.9Å |
| 344 | V | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -60.7 | -31.4 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | M99 F102 I136 V140 F341 L342 | M99-V344 HydrophobicContact CG-CG2 3.89Å; M99-V344 HydrophobicContact SD-CB 4.44Å; M99-V344 HydrophobicContact SD-CG1 4.05Å; M99-V344 HydrophobicContact SD-CG2 3.47Å; M99-V344 WeakPolarHBondContact SD-CG2 3.48Å; F102-V344 HydrophobicContact CD1-CG1 4.28Å; F102-V344 HydrophobicContact CE1-CG1 3.94Å; I136-V344 HydrophobicContact CG2-CG2 4.37Å; V140-V344 HydrophobicContact CG2-CG2 3.51Å; F341-V344 HydrophobicContact CD1-CG2 4.41Å; F341-V344 WeakPolarHBondContact O-CB 3.22Å; F341-V344 WeakPolarHBondContact O-CG2 3.29Å; F341-V344 PolarHBondContact O-N 3.28Å; L342-V344 PolarHBondContact O-N 3.46Å |
| 345 | W | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -101.3 | 21.3 | -175.5 | -50.9 | 112.2 | 0 | 0 | 0 | 112.9 | F102 V313 F314 F317 F341 L342 P343 H347 L348 Y405 F409 | F102-W345 HydrophobicContact CZ-CH2 4.48Å; V313-W345 HydrophobicContact CG1-CZ2 4.34Å; F314-W345 HydrophobicContact CB-CH2 3.51Å; F314-W345 HydrophobicContact CB-CZ2 3.91Å; F314-W345 HydrophobicContact CB-CZ3 4.01Å; F314-W345 AromaticContact CD2-CD2 3.71Å; F314-W345 HydrophobicContact CD2-CD2 3.71Å; F314-W345 AromaticContact CD2-CE2 3.61Å; F314-W345 AromaticContact CD2-CE3 3.7Å; F314-W345 HydrophobicContact CD2-CE3 3.7Å; F314-W345 AromaticContact CD2-CH2 3.69Å; F314-W345 HydrophobicContact CD2-CH2 3.69Å; F314-W345 AromaticContact CD2-CZ2 3.63Å; F314-W345 HydrophobicContact CD2-CZ2 3.63Å; F314-W345 AromaticContact CD2-CZ3 3.7Å; F314-W345 HydrophobicContact CD2-CZ3 3.7Å; F314-W345 HydrophobicContact CE2-CD2 4.11Å; F314-W345 HydrophobicContact CE2-CE3 4.26Å; F314-W345 HydrophobicContact CG-CH2 4.07Å; F314-W345 HydrophobicContact CG-CZ2 4.27Å; F314-W345 HydrophobicContact CG-CZ3 4.23Å; F317-W345 HydrophobicContact CB-CZ2 4.42Å; F317-W345 AromaticContact CD1-NE1 3.6Å; F317-W345 AromaticContact CD2-NE1 3.94Å; F317-W345 AromaticContact CG-NE1 3.47Å; F341-W345 VanDerWaalsContact O-CD1 3.3Å; L342-W345 PolarHBondContact O-N 2.89Å; P343-W345 PolarHBondContact O-N 3.48Å; W345-H347 AromaticContact CE3-CE1 3.67Å; W345-H347 PolarHBondContact O-N 3.48Å; W345-H347 VanDerWaalsContact O-N 3.15Å; W345-L348 HydrophobicContact CB-CD1 3.95Å; W345-L348 HydrophobicContact CB-CG 4.32Å; W345-L348 HydrophobicContact CE3-CD1 4.31Å; W345-L348 HydrophobicContact CG-CD1 4.49Å; W345-L348 VanDerWaalsContact O-CB 3.3Å; W345-L348 WeakPolarHBondContact O-CB 3.35Å; W345-L348 PolarHBondContact O-N 3.48Å; W345-Y405 HydrophobicContact CB-CD1 4Å; W345-Y405 HydrophobicContact CB-CE1 3.65Å; W345-F409 HydrophobicContact CZ3-CE2 4.18Å |
| 346 | S | 89.9 | Confident | 91.4 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -56 | -34 | -178.1 | 65 | 0 | 0 | 0 | 0 | 114 | P343 L348 H349 | P343-S346 WeakPolarHBondContact O-CB 3.22Å; P343-S346 PolarHBondContact O-N 2.9Å; S346-L348 PolarHBondContact O-N 2.98Å; S346-L348 VanDerWaalsContact O-N 3.14Å; S346-H349 WeakPolarHBondContact O-CB 3.34Å; S346-H349 PolarHBondContact O-N 3.05Å; S346-H349 PolarHBondContact O-ND1 3.24Å |
| 347 | H | 87.9 | Confident | 91.3 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 14% | 0.139 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -63.4 | -14 | 174.9 | 66.4 | -73.4 | 0 | 0 | 0 | 114.2 | R128 W345 R412 | R128-H347 HydrophobicContact CG-CB 4.11Å; R128-H347 PolarHBondContact NE-CE1 3.34Å; R128-H347 PolarHBondContact NE-ND1 3.07Å; R128-H347 PolarHBondContact NH2-CE1 2.67Å; R128-H347 PolarHBondContact NH2-NE2 3.31Å; W345-H347 AromaticContact CE3-CE1 3.67Å; W345-H347 PolarHBondContact O-N 3.48Å; W345-H347 VanDerWaalsContact O-N 3.15Å; H347-R412 VanDerWaalsContact CD2-CZ 3.4Å; H347-R412 PolarHBondContact CD2-NE 3.18Å |
| 348 | L | 89.9 | Confident | 91.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -85.1 | -12.6 | 173 | -58.4 | -177.7 | 0 | 0 | 0 | 112.5 | F314 W345 S346 R350 F351 L352 Y405 A408 F409 R412 | F314-L348 HydrophobicContact CE2-CD1 4.28Å; W345-L348 HydrophobicContact CB-CD1 3.95Å; W345-L348 HydrophobicContact CB-CG 4.32Å; W345-L348 HydrophobicContact CE3-CD1 4.31Å; W345-L348 HydrophobicContact CG-CD1 4.49Å; W345-L348 VanDerWaalsContact O-CB 3.3Å; W345-L348 WeakPolarHBondContact O-CB 3.35Å; W345-L348 PolarHBondContact O-N 3.48Å; S346-L348 PolarHBondContact O-N 2.98Å; S346-L348 VanDerWaalsContact O-N 3.14Å; L348-R350 PolarHBondContact O-N 2.83Å; L348-R350 VanDerWaalsContact O-N 3.12Å; L348-F351 PolarHBondContact O-N 3.14Å; L348-L352 PolarHBondContact O-N 3.22Å; L348-Y405 HydrophobicContact CD1-CD1 4.13Å; L348-A408 HydrophobicContact CB-CB 4.22Å; L348-F409 HydrophobicContact CD1-CB 3.99Å; L348-F409 HydrophobicContact CD1-CD2 4.03Å; L348-F409 HydrophobicContact CD2-CD2 4.38Å; L348-R412 HydrophobicContact CD2-CB 4.07Å; L348-R412 HydrophobicContact CD2-CG 4.47Å |
| 349 | H | 86.8 | Confident | 91.1 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 44% | 0.44 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -57.5 | -30.9 | -174.9 | -67.6 | 175.4 | 0 | 0 | 0 | 113.3 | S346 F351 L352 Y405 | S346-H349 WeakPolarHBondContact O-CB 3.34Å; S346-H349 PolarHBondContact O-N 3.05Å; S346-H349 PolarHBondContact O-ND1 3.24Å; H349-F351 PolarHBondContact O-N 3.39Å; H349-L352 PolarHBondContact O-N 3.3Å; H349-Y405 PolarHBondContact NE2-OH 2.83Å; H349-Y405 VanDerWaalsContact NE2-OH 3.09Å |
| 350 | R | 84.8 | Confident | 91.1 | Very high | 160 Ų | 160 | 52.3 Ų | 52.3 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -62.9 | -24 | 174.5 | -174.3 | 175.3 | 179.5 | 177 | 0.2 | 113.4 | E125 L348 | E125-R350 IonicContact OE2-NH1 3.76Å; E125-R350 PolarHBondContact OE2-NH1 2.84Å; E125-R350 VanDerWaalsContact OE2-NH1 3.15Å; E125-R350 IonicContact OE2-NH2 2.76Å; L348-R350 PolarHBondContact O-N 2.83Å; L348-R350 VanDerWaalsContact O-N 3.12Å |
| 351 | F | 86.6 | Confident | 91.1 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -105 | -6.7 | -176.8 | -61 | -71.7 | 0 | 0 | 0 | 113.8 | L126 L348 H349 A408 R411 R412 H415 | L126-F351 HydrophobicContact CD1-CZ 4.35Å; L126-F351 HydrophobicContact CD2-CE2 3.88Å; L126-F351 HydrophobicContact CD2-CZ 3.57Å; L348-F351 PolarHBondContact O-N 3.14Å; H349-F351 PolarHBondContact O-N 3.39Å; F351-A408 HydrophobicContact CB-CB 3.75Å; F351-R411 HydrophobicContact CD1-CG 4.09Å; F351-R411 HydrophobicContact CE1-CG 4.45Å; F351-R412 HydrophobicContact CD2-CB 3.95Å; F351-R412 HydrophobicContact CD2-CG 4.47Å; F351-R412 HydrophobicContact CE2-CB 3.73Å; F351-R412 HydrophobicContact CE2-CG 3.87Å; F351-R412 HydrophobicContact CZ-CB 4.41Å; F351-H415 AromaticContact CE1-CD2 3.68Å |
| 352 | L | 88.6 | Confident | 91 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | trans | -70.4 | 131.7 | 175.5 | -66.3 | 176.2 | 0 | 0 | 0 | 109.6 | L348 H349 I355 D404 Y405 A408 | L348-L352 PolarHBondContact O-N 3.22Å; H349-L352 PolarHBondContact O-N 3.3Å; L352-I355 HydrophobicContact CB-CB 3.99Å; L352-I355 HydrophobicContact CB-CG2 4.07Å; L352-I355 HydrophobicContact CD1-CB 3.95Å; L352-I355 HydrophobicContact CD1-CD1 4.08Å; L352-I355 HydrophobicContact CD1-CG1 3.9Å; L352-I355 HydrophobicContact CD1-CG2 4.42Å; L352-D404 HydrophobicContact CD2-CB 4.08Å; L352-Y405 HydrophobicContact CD1-CE1 4.33Å; L352-Y405 HydrophobicContact CD1-CE2 3.96Å; L352-Y405 HydrophobicContact CD2-CD1 4.38Å; L352-Y405 HydrophobicContact CD2-CD2 4.02Å; L352-Y405 HydrophobicContact CD2-CE2 4.24Å; L352-Y405 HydrophobicContact CD2-CG 4.11Å; L352-A408 HydrophobicContact CD2-CB 3.86Å; L352-A408 HydrophobicContact CG-CB 4.44Å | ||
| 353 | R | 86.3 | Confident | 91 | Very high | 214 Ų | 214 | 59.9 Ų | 59.9 | 81% | 0.808 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -96 | -39.7 | -176.6 | -172 | 179.4 | 174.9 | -179.2 | -1.8 | 112.4 | D404 | R353-D404 PolarHBondContact N-OD1 2.98Å; R353-D404 PolarHBondContact N-OD2 3.22Å; R353-D404 VanDerWaalsContact N-OD2 3.1Å |
| 354 | N | 88.6 | Confident | 91.1 | Very high | 71 Ų | 71 | 61.9 Ų | 61.9 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -116.4 | 10.5 | -166.6 | -64.7 | -26.1 | 0 | 0 | 0 | 112.9 | F356 L357 V358 D404 | N354-F356 VanDerWaalsContact C-N 3.29Å; N354-F356 PolarHBondContact O-N 2.9Å; N354-L357 PolarHBondContact O-N 3.35Å; N354-L357 VanDerWaalsContact O-N 3.14Å; N354-V358 HydrophobicContact CB-CG2 4.2Å; N354-V358 WeakPolarHBondContact O-CG2 3.5Å; N354-V358 PolarHBondContact O-N 2.9Å; N354-D404 PolarHBondContact N-OD2 3.31Å |
| 355 | I | 90.5 | Very high | 91.2 | Very high | 52 Ų | 52 | 61.9 Ų | 61.9 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.6 | -39.2 | -172.7 | -170.6 | 58.6 | 0 | 0 | 0 | 113.9 | L352 S359 L401 Y405 | L352-I355 HydrophobicContact CB-CB 3.99Å; L352-I355 HydrophobicContact CB-CG2 4.07Å; L352-I355 HydrophobicContact CD1-CB 3.95Å; L352-I355 HydrophobicContact CD1-CD1 4.08Å; L352-I355 HydrophobicContact CD1-CG1 3.9Å; L352-I355 HydrophobicContact CD1-CG2 4.42Å; I355-S359 VanDerWaalsContact O-CB 3.24Å; I355-S359 WeakPolarHBondContact O-CB 3.34Å; I355-S359 PolarHBondContact O-N 3.32Å; I355-S359 PolarHBondContact O-OG 3.41Å; I355-L401 HydrophobicContact CD1-CD1 3.52Å; I355-Y405 HydrophobicContact CD1-CE2 4.39Å |
| 356 | F | 91.1 | Very high | 91.2 | Very high | 164 Ų | 164 | 63.3 Ų | 63.3 | 72% | 0.719 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.9 | -52 | 177.7 | 175.8 | -103.1 | 0 | 0 | 0 | 111.2 | N354 V358 S359 C360 | N354-F356 VanDerWaalsContact C-N 3.29Å; N354-F356 PolarHBondContact O-N 2.9Å; F356-V358 PolarHBondContact O-N 3.47Å; F356-S359 PolarHBondContact O-N 3.02Å; F356-C360 PolarHBondContact O-N 3.44Å; F356-C360 PolarHBondContact O-SG 3.35Å |
| 357 | L | 93 | Very high | 91.4 | Very high | 107 Ų | 107 | 64.9 Ų | 64.9 | 56% | 0.56 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.4 | -49.7 | 178.2 | 178.5 | 68.6 | 0 | 0 | 0 | 111 | N354 S359 C360 V361 | N354-L357 PolarHBondContact O-N 3.35Å; N354-L357 VanDerWaalsContact O-N 3.14Å; L357-S359 VanDerWaalsContact C-N 3.33Å; L357-S359 PolarHBondContact O-N 3.2Å; L357-C360 PolarHBondContact O-N 3.26Å; L357-V361 HydrophobicContact CD1-CG2 4.45Å; L357-V361 VanDerWaalsContact O-CG2 3.32Å; L357-V361 WeakPolarHBondContact O-CG2 3.42Å; L357-V361 PolarHBondContact O-N 3Å |
| 358 | V | 93.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | -178.4 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | N354 F356 V361 L362 A397 L400 L401 | N354-V358 HydrophobicContact CB-CG2 4.2Å; N354-V358 WeakPolarHBondContact O-CG2 3.5Å; N354-V358 PolarHBondContact O-N 2.9Å; F356-V358 PolarHBondContact O-N 3.47Å; V358-V361 PolarHBondContact O-N 3.26Å; V358-L362 HydrophobicContact CG1-CD1 4.1Å; V358-L362 HydrophobicContact CG1-CG 4.49Å; V358-L362 WeakPolarHBondContact O-CG 3.29Å; V358-L362 PolarHBondContact O-N 3.03Å; V358-A397 VanDerWaalsContact CG1-O 3.3Å; V358-A397 WeakPolarHBondContact CG1-O 3.37Å; V358-L400 HydrophobicContact CG2-CB 3.9Å; V358-L401 HydrophobicContact CG1-CB 3.74Å; V358-L401 HydrophobicContact CG1-CD1 4.01Å; V358-L401 HydrophobicContact CG1-CG 4.42Å |
| 359 | S | 92.6 | Very high | 91.9 | Very high | 48 Ų | 48 | 67.1 Ų | 67.1 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 177 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | I355 F356 L357 V361 L362 L363 | I355-S359 VanDerWaalsContact O-CB 3.24Å; I355-S359 WeakPolarHBondContact O-CB 3.34Å; I355-S359 PolarHBondContact O-N 3.32Å; I355-S359 PolarHBondContact O-OG 3.41Å; F356-S359 PolarHBondContact O-N 3.02Å; L357-S359 VanDerWaalsContact C-N 3.33Å; L357-S359 PolarHBondContact O-N 3.2Å; S359-V361 VanDerWaalsContact C-N 3.35Å; S359-V361 PolarHBondContact O-N 2.92Å; S359-L362 PolarHBondContact O-N 2.9Å; S359-L363 WeakPolarHBondContact O-CB 3.49Å; S359-L363 VanDerWaalsContact O-CG 3.28Å; S359-L363 WeakPolarHBondContact O-CG 3.42Å; S359-L363 PolarHBondContact O-N 3.39Å |
| 360 | C | 94.9 | Very high | 92.2 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 38% | 0.378 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.2 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | F356 L357 L363 A364 | F356-C360 PolarHBondContact O-N 3.44Å; F356-C360 PolarHBondContact O-SG 3.35Å; L357-C360 PolarHBondContact O-N 3.26Å; C360-L363 PolarHBondContact O-N 2.8Å; C360-A364 VanDerWaalsContact O-CB 3.28Å; C360-A364 WeakPolarHBondContact O-CB 3.35Å; C360-A364 PolarHBondContact O-N 2.94Å |
| 361 | V | 95.6 | Very high | 92.7 | Very high | 38 Ų | 38 | 61 Ų | 61 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 177.7 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | L357 V358 S359 L363 A364 C365 L393 A397 | L357-V361 HydrophobicContact CD1-CG2 4.45Å; L357-V361 VanDerWaalsContact O-CG2 3.32Å; L357-V361 WeakPolarHBondContact O-CG2 3.42Å; L357-V361 PolarHBondContact O-N 3Å; V358-V361 PolarHBondContact O-N 3.26Å; S359-V361 VanDerWaalsContact C-N 3.35Å; S359-V361 PolarHBondContact O-N 2.92Å; V361-L363 VanDerWaalsContact C-N 3.34Å; V361-L363 PolarHBondContact O-N 2.71Å; V361-A364 PolarHBondContact O-N 3.22Å; V361-C365 WeakPolarHBondContact O-CB 3.4Å; V361-C365 PolarHBondContact O-N 3.42Å; V361-C365 PolarHBondContact O-SG 2.79Å; V361-L393 HydrophobicContact CG1-CD1 3.97Å; V361-L393 HydrophobicContact CG1-CD2 4.11Å; V361-L393 HydrophobicContact CG1-CG 3.76Å; V361-A397 HydrophobicContact CB-CB 4.24Å; V361-A397 HydrophobicContact CG1-CB 3.71Å |
| 362 | L | 94.4 | Very high | 93.1 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 177.6 | -73.5 | 171.9 | 0 | 0 | 0 | 112 | V358 S359 S366 F394 A397 Q398 L401 | V358-L362 HydrophobicContact CG1-CD1 4.1Å; V358-L362 HydrophobicContact CG1-CG 4.49Å; V358-L362 WeakPolarHBondContact O-CG 3.29Å; V358-L362 PolarHBondContact O-N 3.03Å; S359-L362 PolarHBondContact O-N 2.9Å; L362-S366 WeakPolarHBondContact O-CB 3.49Å; L362-S366 PolarHBondContact O-N 2.88Å; L362-S366 PolarHBondContact O-OG 2.95Å; L362-F394 HydrophobicContact CD2-CD2 3.63Å; L362-F394 HydrophobicContact CD2-CE2 3.59Å; L362-F394 HydrophobicContact CD2-CG 4.48Å; L362-F394 HydrophobicContact CD2-CZ 4.4Å; L362-A397 HydrophobicContact CD2-CB 3.63Å; L362-A397 HydrophobicContact CG-CB 3.83Å; L362-Q398 HydrophobicContact CD2-CG 3.94Å; L362-L401 HydrophobicContact CD1-CD2 4.14Å |
| 363 | L | 94.8 | Very high | 93.3 | Very high | 125 Ų | 125 | 61.9 Ų | 61.9 | 65% | 0.654 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 176.7 | -70.8 | 172.2 | 0 | 0 | 0 | 111.9 | S359 C360 V361 S366 A367 | S359-L363 WeakPolarHBondContact O-CB 3.49Å; S359-L363 VanDerWaalsContact O-CG 3.28Å; S359-L363 WeakPolarHBondContact O-CG 3.42Å; S359-L363 PolarHBondContact O-N 3.39Å; C360-L363 PolarHBondContact O-N 2.8Å; V361-L363 VanDerWaalsContact C-N 3.34Å; V361-L363 PolarHBondContact O-N 2.71Å; L363-S366 PolarHBondContact O-N 3.39Å; L363-A367 PolarHBondContact O-N 3.15Å |
| 364 | A | 95.9 | Very high | 93.6 | Very high | 48 Ų | 48 | 56.3 Ų | 56.3 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C360 V361 S366 A367 L368 | C360-A364 VanDerWaalsContact O-CB 3.28Å; C360-A364 WeakPolarHBondContact O-CB 3.35Å; C360-A364 PolarHBondContact O-N 2.94Å; V361-A364 PolarHBondContact O-N 3.22Å; A364-S366 VanDerWaalsContact C-N 3.32Å; A364-S366 PolarHBondContact O-N 3.43Å; A364-A367 PolarHBondContact O-N 3.27Å; A364-L368 WeakPolarHBondContact O-CB 3.36Å; A364-L368 VanDerWaalsContact O-CG 3.25Å; A364-L368 WeakPolarHBondContact O-CG 3.08Å; A364-L368 PolarHBondContact O-N 3.43Å |
| 365 | C | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.2 | -45.6 | 173.9 | -72.6 | 0 | 0 | 0 | 0 | 112 | V361 A367 L368 F369 I390 F394 | V361-C365 WeakPolarHBondContact O-CB 3.4Å; V361-C365 PolarHBondContact O-N 3.42Å; V361-C365 PolarHBondContact O-SG 2.79Å; C365-A367 VanDerWaalsContact C-N 3.3Å; C365-A367 PolarHBondContact O-N 3.04Å; C365-L368 PolarHBondContact O-N 3.4Å; C365-L368 VanDerWaalsContact O-N 3.15Å; C365-F369 HydrophobicContact CB-CE2 4.45Å; C365-F369 WeakPolarHBondContact O-CD2 3.19Å; C365-F369 WeakPolarHBondContact O-CG 3.39Å; C365-F369 PolarHBondContact O-N 3.22Å; C365-I390 HydrophobicContact CB-CD1 4.16Å; C365-I390 HydrophobicContact CB-CG1 4.11Å; C365-I390 VanDerWaalsContact SG-CD1 3.52Å; C365-F394 HydrophobicContact CB-CB 3.93Å; C365-F394 HydrophobicContact CB-CD2 3.74Å; C365-F394 HydrophobicContact CB-CG 4.29Å |
| 366 | S | 94.3 | Very high | 94.1 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 22% | 0.217 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 179.8 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | F149 L362 L363 A364 P370 | F149-S366 WeakPolarHBondContact CZ-OG 3.34Å; L362-S366 WeakPolarHBondContact O-CB 3.49Å; L362-S366 PolarHBondContact O-N 2.88Å; L362-S366 PolarHBondContact O-OG 2.95Å; L363-S366 PolarHBondContact O-N 3.39Å; A364-S366 VanDerWaalsContact C-N 3.32Å; A364-S366 PolarHBondContact O-N 3.43Å; S366-P370 WeakPolarHBondContact O-CD 3.13Å |
| 367 | A | 94.3 | Very high | 94.2 | Very high | 63 Ų | 63 | 52 Ų | 52 | 52% | 0.521 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -74.5 | -34.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | L363 A364 C365 P370 | L363-A367 PolarHBondContact O-N 3.15Å; A364-A367 PolarHBondContact O-N 3.27Å; C365-A367 VanDerWaalsContact C-N 3.3Å; C365-A367 PolarHBondContact O-N 3.04Å; A367-P370 WeakPolarHBondContact O-CD 3.47Å; A367-P370 WeakPolarHBondContact O-CG 3.35Å |
| 368 | L | 94.9 | Very high | 94.2 | Very high | 72 Ų | 72 | 53.9 Ų | 53.9 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -78.2 | -25.6 | -177.5 | -74.3 | 172.7 | 0 | 0 | 0 | 113.7 | A364 C365 V371 L372 I390 | A364-L368 WeakPolarHBondContact O-CB 3.36Å; A364-L368 VanDerWaalsContact O-CG 3.25Å; A364-L368 WeakPolarHBondContact O-CG 3.08Å; A364-L368 PolarHBondContact O-N 3.43Å; C365-L368 PolarHBondContact O-N 3.4Å; C365-L368 VanDerWaalsContact O-N 3.15Å; L368-V371 PolarHBondContact O-N 2.91Å; L368-L372 HydrophobicContact CB-CD1 4.27Å; L368-L372 WeakPolarHBondContact O-CB 3.41Å; L368-L372 WeakPolarHBondContact O-CG 3.46Å; L368-L372 PolarHBondContact O-N 2.81Å; L368-I390 HydrophobicContact CB-CD1 4.1Å; L368-I390 HydrophobicContact CB-CG1 3.98Å; L368-I390 HydrophobicContact CD1-CD1 3.74Å |
| 369 | F | 93.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 56.4 Ų | 56.4 | 2% | 0.022 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -49.5 | -59.8 | 176.8 | -78.7 | -51.7 | 0 | 0 | 0 | 113.6 | E33 I271 C365 V371 L372 W373 Y387 I390 F394 | E33-F369 HydrophobicContact CG-CB 3.88Å; E33-F369 HydrophobicContact CG-CG 4.12Å; I271-F369 HydrophobicContact CG2-CE1 4.18Å; I271-F369 HydrophobicContact CG2-CE2 4.29Å; I271-F369 HydrophobicContact CG2-CZ 4Å; C365-F369 HydrophobicContact CB-CE2 4.45Å; C365-F369 WeakPolarHBondContact O-CD2 3.19Å; C365-F369 WeakPolarHBondContact O-CG 3.39Å; C365-F369 PolarHBondContact O-N 3.22Å; F369-V371 VanDerWaalsContact C-N 3.26Å; F369-V371 PolarHBondContact O-N 3.2Å; F369-L372 PolarHBondContact O-N 2.76Å; F369-W373 WeakPolarHBondContact O-CB 3.41Å; F369-W373 PolarHBondContact O-N 3.34Å; F369-Y387 HydrophobicContact CD1-CE2 4Å; F369-I390 HydrophobicContact CD1-CG2 3.67Å; F369-I390 HydrophobicContact CE1-CG2 3.75Å; F369-F394 HydrophobicContact CE2-CB 4.15Å; F369-F394 HydrophobicContact CE2-CD1 4.08Å; F369-F394 AromaticContact CE2-CD2 3.87Å; F369-F394 HydrophobicContact CE2-CD2 3.87Å; F369-F394 HydrophobicContact CE2-CE1 4.45Å; F369-F394 HydrophobicContact CE2-CE2 4.26Å; F369-F394 AromaticContact CE2-CG 3.78Å; F369-F394 HydrophobicContact CE2-CG 3.78Å; F369-F394 HydrophobicContact CZ-CB 3.61Å; F369-F394 AromaticContact CZ-CD1 3.89Å; F369-F394 HydrophobicContact CZ-CD1 3.89Å; F369-F394 HydrophobicContact CZ-CD2 4.21Å; F369-F394 AromaticContact CZ-CG 3.65Å; F369-F394 HydrophobicContact CZ-CG 3.65Å |
| 370 | P | 92.9 | Very high | 94.1 | Very high | 52 Ų | 52 | 57 Ų | 57 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.2 | -29.3 | -178 | 25.8 | -35.9 | 0 | 0 | 0 | 112.9 | S366 A367 H374 | S366-P370 WeakPolarHBondContact O-CD 3.13Å; A367-P370 WeakPolarHBondContact O-CD 3.47Å; A367-P370 WeakPolarHBondContact O-CG 3.35Å; P370-H374 WeakPolarHBondContact O-CB 3.34Å; P370-H374 PolarHBondContact O-N 3.36Å |
| 371 | V | 94 | Very high | 93.9 | Very high | 73 Ų | 73 | 58.5 Ų | 58.5 | 44% | 0.442 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.5 | -52 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | L368 F369 W373 H374 L375 | L368-V371 PolarHBondContact O-N 2.91Å; F369-V371 VanDerWaalsContact C-N 3.26Å; F369-V371 PolarHBondContact O-N 3.2Å; V371-W373 VanDerWaalsContact C-N 3.34Å; V371-W373 PolarHBondContact O-N 3.03Å; V371-H374 PolarHBondContact O-N 3.44Å; V371-H374 VanDerWaalsContact O-N 3.15Å; V371-L375 HydrophobicContact CG1-CD1 4.08Å; V371-L375 HydrophobicContact CG1-CG 4.46Å; V371-L375 WeakPolarHBondContact O-CG 3.33Å; V371-L375 PolarHBondContact O-N 3.45Å |
| 372 | L | 94.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.9 | -35.6 | -179.3 | -68 | 176.2 | 0 | 0 | 0 | 111.6 | L368 F369 H374 L375 W376 F386 Y387 I390 | L368-L372 HydrophobicContact CB-CD1 4.27Å; L368-L372 WeakPolarHBondContact O-CB 3.41Å; L368-L372 WeakPolarHBondContact O-CG 3.46Å; L368-L372 PolarHBondContact O-N 2.81Å; F369-L372 PolarHBondContact O-N 2.76Å; L372-H374 VanDerWaalsContact C-N 3.33Å; L372-H374 PolarHBondContact O-N 3.14Å; L372-L375 HydrophobicContact CD2-CD1 4.32Å; L372-L375 PolarHBondContact O-N 2.93Å; L372-W376 WeakPolarHBondContact O-CB 3.19Å; L372-W376 PolarHBondContact O-N 2.89Å; L372-F386 HydrophobicContact CD2-CB 4.29Å; L372-Y387 HydrophobicContact CB-CD2 4.27Å; L372-I390 HydrophobicContact CD1-CB 3.72Å; L372-I390 HydrophobicContact CD1-CG1 4.24Å; L372-I390 HydrophobicContact CD1-CG2 3.61Å |
| 373 | W | 93.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 11% | 0.106 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 169.4 | -179.7 | -97.7 | 0 | 0 | 0 | 111.3 | R31 V32 P269 F369 V371 W376 I377 Y387 | R31-W373 VanDerWaalsContact NH1-CD1 3.32Å; V32-W373 HydrophobicContact CB-CH2 4.29Å; V32-W373 HydrophobicContact CB-CZ3 4.31Å; V32-W373 HydrophobicContact CG1-CH2 3.41Å; V32-W373 VanDerWaalsContact CG1-CH2 3.41Å; V32-W373 HydrophobicContact CG1-CZ2 3.73Å; V32-W373 HydrophobicContact CG1-CZ3 3.88Å; V32-W373 HydrophobicContact CG2-CD2 3.81Å; V32-W373 HydrophobicContact CG2-CE3 3.49Å; V32-W373 VanDerWaalsContact CG2-CE3 3.49Å; V32-W373 HydrophobicContact CG2-CH2 3.9Å; V32-W373 HydrophobicContact CG2-CZ2 4.16Å; V32-W373 HydrophobicContact CG2-CZ3 3.57Å; P269-W373 HydrophobicContact CB-CH2 4.36Å; P269-W373 HydrophobicContact CB-CZ3 3.71Å; P269-W373 HydrophobicContact CG-CH2 4.3Å; P269-W373 HydrophobicContact CG-CZ3 3.92Å; F369-W373 WeakPolarHBondContact O-CB 3.41Å; F369-W373 PolarHBondContact O-N 3.34Å; V371-W373 VanDerWaalsContact C-N 3.34Å; V371-W373 PolarHBondContact O-N 3.03Å; W373-W376 HydrophobicContact CE3-CE3 4.18Å; W373-W376 HydrophobicContact CE3-CZ3 4.27Å; W373-W376 HydrophobicContact CZ3-CE3 4.17Å; W373-W376 AromaticContact CZ3-CZ3 3.86Å; W373-W376 HydrophobicContact CZ3-CZ3 3.86Å; W373-W376 PolarHBondContact O-N 3.37Å; W373-I377 HydrophobicContact CD2-CG1 3.9Å; W373-I377 HydrophobicContact CE3-CG1 4.13Å; W373-I377 HydrophobicContact CH2-CD1 4.11Å; W373-I377 HydrophobicContact CH2-CG1 3.92Å; W373-I377 HydrophobicContact CZ2-CD1 4.29Å; W373-I377 HydrophobicContact CZ2-CG1 3.71Å; W373-I377 HydrophobicContact CZ3-CD1 4.36Å; W373-I377 HydrophobicContact CZ3-CG1 4.11Å; W373-I377 WeakPolarHBondContact O-CB 3.01Å; W373-I377 PolarHBondContact O-N 3.12Å; W373-Y387 HydrophobicContact CB-CD2 4.17Å; W373-Y387 HydrophobicContact CB-CE2 3.97Å; W373-Y387 HydrophobicContact CE3-CD2 4.34Å; W373-Y387 HydrophobicContact CE3-CE1 4.42Å; W373-Y387 HydrophobicContact CE3-CE2 4.13Å |
| 374 | H | 93.3 | Very high | 93.4 | Very high | 97 Ų | 97 | 55.3 Ų | 55.3 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | -179.6 | -178.5 | 71.6 | 0 | 0 | 0 | 112.7 | P370 V371 L372 W376 Y378 A379 | P370-H374 WeakPolarHBondContact O-CB 3.34Å; P370-H374 PolarHBondContact O-N 3.36Å; V371-H374 PolarHBondContact O-N 3.44Å; V371-H374 VanDerWaalsContact O-N 3.15Å; L372-H374 VanDerWaalsContact C-N 3.33Å; L372-H374 PolarHBondContact O-N 3.14Å; H374-W376 VanDerWaalsContact C-N 3.25Å; H374-W376 PolarHBondContact O-N 3.48Å; H374-Y378 AromaticContact ND1-CD2 3.42Å; H374-Y378 WeakPolarHBondContact ND1-CD2 3.47Å; H374-Y378 AromaticContact ND1-CG 3.73Å; H374-Y378 PolarHBondContact O-N 2.91Å; H374-A379 PolarHBondContact O-N 3.46Å |
| 375 | L | 94.4 | Very high | 93.3 | Very high | 57 Ų | 57 | 56.5 Ų | 56.5 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -33.8 | 178.1 | -68.9 | 174.8 | 0 | 0 | 0 | 112.4 | V371 L372 A379 G380 S381 A382 | V371-L375 HydrophobicContact CG1-CD1 4.08Å; V371-L375 HydrophobicContact CG1-CG 4.46Å; V371-L375 WeakPolarHBondContact O-CG 3.33Å; V371-L375 PolarHBondContact O-N 3.45Å; L372-L375 HydrophobicContact CD2-CD1 4.32Å; L372-L375 PolarHBondContact O-N 2.93Å; L375-A379 HydrophobicContact CD2-CB 4.21Å; L375-G380 PolarHBondContact O-N 3.45Å; L375-S381 WeakPolarHBondContact CD2-OG 3.47Å; L375-S381 PolarHBondContact O-N 3.1Å; L375-A382 HydrophobicContact CB-CB 3.84Å; L375-A382 PolarHBondContact O-N 3.32Å |
| 376 | W | 94.8 | Very high | 93.2 | Very high | 61 Ų | 61 | 62 Ų | 62 | 23% | 0.231 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -77.3 | -55.4 | 177.8 | 175.9 | 25.8 | 0 | 0 | 0 | 112.3 | P269 W275 L372 W373 H374 A382 Y387 | P269-W376 HydrophobicContact CB-CH2 4.44Å; P269-W376 HydrophobicContact CB-CZ3 4.14Å; P269-W376 HydrophobicContact CG-CH2 3.6Å; P269-W376 HydrophobicContact CG-CZ3 3.75Å; W275-W376 HydrophobicContact CH2-CH2 4.45Å; W275-W376 HydrophobicContact CH2-CZ3 4.31Å; W275-W376 HydrophobicContact CZ3-CH2 4.25Å; L372-W376 WeakPolarHBondContact O-CB 3.19Å; L372-W376 PolarHBondContact O-N 2.89Å; W373-W376 HydrophobicContact CE3-CE3 4.18Å; W373-W376 HydrophobicContact CE3-CZ3 4.27Å; W373-W376 HydrophobicContact CZ3-CE3 4.17Å; W373-W376 AromaticContact CZ3-CZ3 3.86Å; W373-W376 HydrophobicContact CZ3-CZ3 3.86Å; W373-W376 PolarHBondContact O-N 3.37Å; H374-W376 VanDerWaalsContact C-N 3.25Å; H374-W376 PolarHBondContact O-N 3.48Å; W376-A382 WeakPolarHBondContact CA-O 3.21Å; W376-A382 HydrophobicContact CB-CB 4.49Å; W376-Y387 HydrophobicContact CE3-CG 4.24Å; W376-Y387 HydrophobicContact CZ3-CD1 4.26Å; W376-Y387 HydrophobicContact CZ3-CG 4.4Å |
| 377 | I | 93.9 | Very high | 93.2 | Very high | 79 Ų | 79 | 60.6 Ų | 60.6 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -79.6 | -41.1 | -170.4 | -62.5 | -60.6 | 0 | 0 | 0 | 112.9 | W373 | W373-I377 HydrophobicContact CD2-CG1 3.9Å; W373-I377 HydrophobicContact CE3-CG1 4.13Å; W373-I377 HydrophobicContact CH2-CD1 4.11Å; W373-I377 HydrophobicContact CH2-CG1 3.92Å; W373-I377 HydrophobicContact CZ2-CD1 4.29Å; W373-I377 HydrophobicContact CZ2-CG1 3.71Å; W373-I377 HydrophobicContact CZ3-CD1 4.36Å; W373-I377 HydrophobicContact CZ3-CG1 4.11Å; W373-I377 WeakPolarHBondContact O-CB 3.01Å; W373-I377 PolarHBondContact O-N 3.12Å |
| 378 | Y | 92.7 | Very high | 93.2 | Very high | 145 Ų | 145 | 59 Ų | 59 | 57% | 0.569 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -44.1 | -171.3 | -60.7 | -85.6 | 0 | 0 | 0 | 112.7 | H374 | H374-Y378 AromaticContact ND1-CD2 3.42Å; H374-Y378 WeakPolarHBondContact ND1-CD2 3.47Å; H374-Y378 AromaticContact ND1-CG 3.73Å; H374-Y378 PolarHBondContact O-N 2.91Å |
| 379 | A | 92.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 58.3 Ų | 58.3 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -82.4 | -22.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H374 L375 S381 | H374-A379 PolarHBondContact O-N 3.46Å; L375-A379 HydrophobicContact CD2-CB 4.21Å; A379-S381 PolarHBondContact O-N 3.14Å; A379-S381 VanDerWaalsContact O-N 3.13Å |
| 380 | G | 90.7 | Very high | 93.3 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 63% | 0.629 | 33% | 0.333 | S | S | * | . | trans | 64 | 12 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L375 | L375-G380 PolarHBondContact O-N 3.45Š| ||
| 381 | S | 91.7 | Very high | 93.4 | Very high | 88 Ų | 88 | 56.2 Ų | 56.2 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -91.6 | -7.8 | -177.5 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | L375 A379 | L375-S381 WeakPolarHBondContact CD2-OG 3.47Å; L375-S381 PolarHBondContact O-N 3.1Å; A379-S381 PolarHBondContact O-N 3.14Å; A379-S381 VanDerWaalsContact O-N 3.13Å |
| 382 | A | 91.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -128.5 | 158.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L375 W376 F386 | L375-A382 HydrophobicContact CB-CB 3.84Å; L375-A382 PolarHBondContact O-N 3.32Å; W376-A382 WeakPolarHBondContact CA-O 3.21Å; W376-A382 HydrophobicContact CB-CB 4.49Å; A382-F386 HydrophobicContact CB-CB 4.42Å; A382-F386 HydrophobicContact CB-CD2 3.91Å; A382-F386 HydrophobicContact CB-CG 4.31Å |
| 383 | N | 92 | Very high | 93.5 | Very high | 71 Ų | 71 | 59 Ų | 59 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | trans | -105.4 | 174.7 | 172.2 | 69.2 | 7.1 | 0 | 0 | 0 | 111.8 | N385 F386 | N383-N385 PolarHBondContact O-N 3.02Å; N383-N385 VanDerWaalsContact O-N 3.16Å; N383-N385 VanDerWaalsContact OD1-CB 3.26Å; N383-N385 WeakPolarHBondContact OD1-CB 3.38Å; N383-N385 PolarHBondContact OD1-N 3.44Å; N383-F386 PolarHBondContact O-N 3.41Å; N383-F386 WeakPolarHBondContact OD1-CD2 3.19Å; N383-F386 WeakPolarHBondContact OD1-CE2 3.27Å; N383-F386 PolarHBondContact OD1-N 3.31Å | ||
| 384 | S | 91.4 | Very high | 93.6 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 22% | 0.217 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.6 | -32.1 | 177 | 47.2 | 0 | 0 | 0 | 0 | 113.4 | F386 Y387 Y388 | S384-F386 VanDerWaalsContact C-N 3.32Å; S384-F386 PolarHBondContact O-N 2.79Å; S384-Y387 PolarHBondContact O-N 3.15Å; S384-Y388 PolarHBondContact O-N 3Å |
| 385 | N | 93.6 | Very high | 93.7 | Very high | 73 Ų | 73 | 53.4 Ų | 53.4 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | -177.3 | -48.5 | 15 | 0 | 0 | 0 | 111.4 | Y276 N383 Y388 A389 | Y276-N385 PolarHBondContact OH-ND2 3.15Å; Y276-N385 PolarHBondContact OH-OD1 3.07Å; N383-N385 PolarHBondContact O-N 3.02Å; N383-N385 VanDerWaalsContact O-N 3.16Å; N383-N385 VanDerWaalsContact OD1-CB 3.26Å; N383-N385 WeakPolarHBondContact OD1-CB 3.38Å; N383-N385 PolarHBondContact OD1-N 3.44Å; N385-Y388 PolarHBondContact O-N 3.41Å; N385-A389 VanDerWaalsContact O-CB 3.25Å; N385-A389 WeakPolarHBondContact O-CB 3.25Å; N385-A389 PolarHBondContact O-N 3.34Å |
| 386 | F | 93.1 | Very high | 93.8 | Very high | 116 Ų | 116 | 53.5 Ų | 53.5 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 177.2 | -70.4 | -85.8 | 0 | 0 | 0 | 111.5 | L372 A382 N383 S384 A389 I390 | L372-F386 HydrophobicContact CD2-CB 4.29Å; A382-F386 HydrophobicContact CB-CB 4.42Å; A382-F386 HydrophobicContact CB-CD2 3.91Å; A382-F386 HydrophobicContact CB-CG 4.31Å; N383-F386 PolarHBondContact O-N 3.41Å; N383-F386 WeakPolarHBondContact OD1-CD2 3.19Å; N383-F386 WeakPolarHBondContact OD1-CE2 3.27Å; N383-F386 PolarHBondContact OD1-N 3.31Å; S384-F386 VanDerWaalsContact C-N 3.32Å; S384-F386 PolarHBondContact O-N 2.79Å; F386-A389 PolarHBondContact O-N 3.01Å; F386-I390 PolarHBondContact O-N 3.43Å |
| 387 | Y | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 177.3 | -172.9 | -97.2 | 0 | 0 | 0 | 111.1 | V32 E33 P269 W275 F369 L372 W373 W376 S384 A389 I390 T391 | V32-Y387 HydrophobicContact CG2-CE1 4.5Å; V32-Y387 WeakPolarHBondContact CG2-OH 3.06Å; E33-Y387 WeakPolarHBondContact CG-OH 3.48Å; P269-Y387 HydrophobicContact CB-CD1 4.46Å; P269-Y387 HydrophobicContact CB-CE1 4.19Å; W275-Y387 AromaticContact CH2-CD1 3.98Å; W275-Y387 HydrophobicContact CH2-CD1 3.98Å; W275-Y387 AromaticContact CZ2-CD1 3.69Å; W275-Y387 HydrophobicContact CZ2-CD1 3.69Å; W275-Y387 HydrophobicContact CZ2-CE1 4.15Å; F369-Y387 HydrophobicContact CD1-CE2 4Å; L372-Y387 HydrophobicContact CB-CD2 4.27Å; W373-Y387 HydrophobicContact CB-CD2 4.17Å; W373-Y387 HydrophobicContact CB-CE2 3.97Å; W373-Y387 HydrophobicContact CE3-CD2 4.34Å; W373-Y387 HydrophobicContact CE3-CE1 4.42Å; W373-Y387 HydrophobicContact CE3-CE2 4.13Å; W376-Y387 HydrophobicContact CE3-CG 4.24Å; W376-Y387 HydrophobicContact CZ3-CD1 4.26Å; W376-Y387 HydrophobicContact CZ3-CG 4.4Å; S384-Y387 PolarHBondContact O-N 3.15Å; Y387-A389 PolarHBondContact O-N 3.16Å; Y387-I390 WeakPolarHBondContact O-CG2 3.37Å; Y387-I390 PolarHBondContact O-N 3.09Å; Y387-T391 PolarHBondContact O-N 3.07Å; Y387-T391 VanDerWaalsContact O-N 3.11Å; Y387-T391 PolarHBondContact O-OG1 3.02Å; Y387-T391 VanDerWaalsContact O-OG1 3.1Å |
| 388 | Y | 94.9 | Very high | 93.9 | Very high | 30 Ų | 30 | 47 Ų | 47 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 175.7 | -173.5 | -117.4 | 0 | 0 | 0 | 113.3 | L273 W275 Y276 S384 N385 I390 T391 L392 | L273-Y388 PolarHBondContact O-OH 3.3Å; W275-Y388 AromaticContact CE2-CD2 3.75Å; W275-Y388 HydrophobicContact CH2-CD2 4.43Å; W275-Y388 AromaticContact CZ2-CD2 3.62Å; W275-Y388 HydrophobicContact CZ2-CD2 3.62Å; W275-Y388 HydrophobicContact CZ2-CG 4.11Å; W275-Y388 AromaticContact NE1-CD2 3.84Å; Y276-Y388 VanDerWaalsContact CB-CE2 3.49Å; Y276-Y388 VanDerWaalsContact CB-CG 3.41Å; Y276-Y388 AromaticContact CD1-CD1 3.09Å; Y276-Y388 HydrophobicContact CD1-CD1 3.09Å; Y276-Y388 HydrophobicContact CD1-CD2 4.16Å; Y276-Y388 AromaticContact CD1-CE1 3.42Å; Y276-Y388 HydrophobicContact CD1-CE1 3.42Å; Y276-Y388 VanDerWaalsContact CD1-CE1 3.42Å; Y276-Y388 HydrophobicContact CD1-CE2 4.41Å; Y276-Y388 AromaticContact CD1-CG 3.48Å; Y276-Y388 HydrophobicContact CD1-CG 3.48Å; Y276-Y388 VanDerWaalsContact CD1-CG 3.48Å; Y276-Y388 HydrophobicContact CD2-CD1 4.44Å; Y276-Y388 HydrophobicContact CD2-CG 4.06Å; Y276-Y388 AromaticContact CE1-CD1 3.6Å; Y276-Y388 HydrophobicContact CE1-CD1 3.6Å; Y276-Y388 HydrophobicContact CE1-CE1 4.14Å; Y276-Y388 HydrophobicContact CE1-CG 4.17Å; Y276-Y388 AromaticContact CG-CD1 3.57Å; Y276-Y388 HydrophobicContact CG-CD1 3.57Å; Y276-Y388 AromaticContact CG-CD2 3.81Å; Y276-Y388 HydrophobicContact CG-CD2 3.81Å; Y276-Y388 HydrophobicContact CG-CE1 4.07Å; Y276-Y388 HydrophobicContact CG-CE2 4.29Å; Y276-Y388 AromaticContact CG-CG 3.38Å; Y276-Y388 HydrophobicContact CG-CG 3.38Å; S384-Y388 PolarHBondContact O-N 3Å; N385-Y388 PolarHBondContact O-N 3.41Å; Y388-I390 VanDerWaalsContact C-N 3.31Å; Y388-I390 PolarHBondContact O-N 3.37Å; Y388-T391 WeakPolarHBondContact O-CB 3.41Å; Y388-T391 PolarHBondContact O-N 3.25Å; Y388-T391 VanDerWaalsContact O-N 3.15Å; Y388-L392 HydrophobicContact CE1-CD1 4.31Å; Y388-L392 PolarHBondContact O-N 3.18Å |
| 389 | A | 94.9 | Very high | 94.1 | Very high | 58 Ų | 58 | 43.1 Ų | 43.1 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N385 F386 Y387 L392 L393 | N385-A389 VanDerWaalsContact O-CB 3.25Å; N385-A389 WeakPolarHBondContact O-CB 3.25Å; N385-A389 PolarHBondContact O-N 3.34Å; F386-A389 PolarHBondContact O-N 3.01Å; Y387-A389 PolarHBondContact O-N 3.16Å; A389-L392 PolarHBondContact O-N 3.14Å; A389-L393 WeakPolarHBondContact O-CB 3.12Å; A389-L393 PolarHBondContact O-N 2.9Å |
| 390 | I | 95.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.9 | -35.5 | 175.6 | -160.2 | 67.1 | 0 | 0 | 0 | 111.9 | C365 L368 F369 L372 F386 Y387 Y388 L393 F394 | C365-I390 HydrophobicContact CB-CD1 4.16Å; C365-I390 HydrophobicContact CB-CG1 4.11Å; C365-I390 VanDerWaalsContact SG-CD1 3.52Å; L368-I390 HydrophobicContact CB-CD1 4.1Å; L368-I390 HydrophobicContact CB-CG1 3.98Å; L368-I390 HydrophobicContact CD1-CD1 3.74Å; F369-I390 HydrophobicContact CD1-CG2 3.67Å; F369-I390 HydrophobicContact CE1-CG2 3.75Å; L372-I390 HydrophobicContact CD1-CB 3.72Å; L372-I390 HydrophobicContact CD1-CG1 4.24Å; L372-I390 HydrophobicContact CD1-CG2 3.61Å; F386-I390 PolarHBondContact O-N 3.43Å; Y387-I390 WeakPolarHBondContact O-CG2 3.37Å; Y387-I390 PolarHBondContact O-N 3.09Å; Y388-I390 VanDerWaalsContact C-N 3.31Å; Y388-I390 PolarHBondContact O-N 3.37Å; I390-L393 HydrophobicContact CD1-CD2 4.14Å; I390-L393 PolarHBondContact O-N 2.84Å; I390-F394 WeakPolarHBondContact O-CB 3.41Å; I390-F394 PolarHBondContact O-N 3.43Å |
| 391 | T | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 172.8 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | I271 G272 Y387 Y388 F394 N395 | I271-T391 WeakPolarHBondContact O-CG2 3.41Å; G272-T391 WeakPolarHBondContact O-CG2 3.34Å; Y387-T391 PolarHBondContact O-N 3.07Å; Y387-T391 VanDerWaalsContact O-N 3.11Å; Y387-T391 PolarHBondContact O-OG1 3.02Å; Y387-T391 VanDerWaalsContact O-OG1 3.1Å; Y388-T391 WeakPolarHBondContact O-CB 3.41Å; Y388-T391 PolarHBondContact O-N 3.25Å; Y388-T391 VanDerWaalsContact O-N 3.15Å; T391-F394 PolarHBondContact O-N 3.34Å; T391-N395 PolarHBondContact O-N 3.22Å; T391-N395 PolarHBondContact O-ND2 2.91Å |
| 392 | L | 94.8 | Very high | 94.6 | Very high | 80 Ų | 80 | 38 Ų | 38 | 42% | 0.419 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 177 | -168.5 | 148.5 | 0 | 0 | 0 | 110.9 | Y388 A389 F394 N395 V396 | Y388-L392 HydrophobicContact CE1-CD1 4.31Å; Y388-L392 PolarHBondContact O-N 3.18Å; A389-L392 PolarHBondContact O-N 3.14Å; L392-F394 VanDerWaalsContact C-N 3.31Å; L392-F394 PolarHBondContact O-N 2.92Å; L392-N395 PolarHBondContact O-N 3.48Å; L392-V396 HydrophobicContact CD2-CG2 3.87Å; L392-V396 WeakPolarHBondContact O-CG2 3.18Å; L392-V396 PolarHBondContact O-N 3.45Å |
| 393 | L | 96.3 | Very high | 94.7 | Very high | 80 Ų | 80 | 40.1 Ų | 40.1 | 42% | 0.419 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 176.2 | -176.2 | 61.5 | 0 | 0 | 0 | 112 | V361 A389 I390 V396 A397 | V361-L393 HydrophobicContact CG1-CD1 3.97Å; V361-L393 HydrophobicContact CG1-CD2 4.11Å; V361-L393 HydrophobicContact CG1-CG 3.76Å; A389-L393 WeakPolarHBondContact O-CB 3.12Å; A389-L393 PolarHBondContact O-N 2.9Å; I390-L393 HydrophobicContact CD1-CD2 4.14Å; I390-L393 PolarHBondContact O-N 2.84Å; L393-V396 PolarHBondContact O-N 3.27Å; L393-A397 WeakPolarHBondContact O-CB 3.4Å; L393-A397 PolarHBondContact O-N 3.01Å |
| 394 | F | 96.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 175.6 | -177.6 | -108.1 | 0 | 0 | 0 | 111.4 | F149 I271 T335 L362 C365 F369 I390 T391 L392 A397 Q398 | F149-F394 HydrophobicContact CE2-CZ 4.22Å; F149-F394 HydrophobicContact CZ-CE2 4.37Å; F149-F394 HydrophobicContact CZ-CZ 4.29Å; I271-F394 HydrophobicContact CD1-CE1 4.19Å; T335-F394 HydrophobicContact CG2-CE1 4.13Å; T335-F394 HydrophobicContact CG2-CZ 4.42Å; L362-F394 HydrophobicContact CD2-CD2 3.63Å; L362-F394 HydrophobicContact CD2-CE2 3.59Å; L362-F394 HydrophobicContact CD2-CG 4.48Å; L362-F394 HydrophobicContact CD2-CZ 4.4Å; C365-F394 HydrophobicContact CB-CB 3.93Å; C365-F394 HydrophobicContact CB-CD2 3.74Å; C365-F394 HydrophobicContact CB-CG 4.29Å; F369-F394 HydrophobicContact CE2-CB 4.15Å; F369-F394 HydrophobicContact CE2-CD1 4.08Å; F369-F394 AromaticContact CE2-CD2 3.87Å; F369-F394 HydrophobicContact CE2-CD2 3.87Å; F369-F394 HydrophobicContact CE2-CE1 4.45Å; F369-F394 HydrophobicContact CE2-CE2 4.26Å; F369-F394 AromaticContact CE2-CG 3.78Å; F369-F394 HydrophobicContact CE2-CG 3.78Å; F369-F394 HydrophobicContact CZ-CB 3.61Å; F369-F394 AromaticContact CZ-CD1 3.89Å; F369-F394 HydrophobicContact CZ-CD1 3.89Å; F369-F394 HydrophobicContact CZ-CD2 4.21Å; F369-F394 AromaticContact CZ-CG 3.65Å; F369-F394 HydrophobicContact CZ-CG 3.65Å; I390-F394 WeakPolarHBondContact O-CB 3.41Å; I390-F394 PolarHBondContact O-N 3.43Å; T391-F394 PolarHBondContact O-N 3.34Å; L392-F394 VanDerWaalsContact C-N 3.31Å; L392-F394 PolarHBondContact O-N 2.92Å; F394-A397 PolarHBondContact O-N 3.01Å; F394-Q398 VanDerWaalsContact CD1-NE2 3.31Å; F394-Q398 HydrophobicContact CE1-CG 4.41Å; F394-Q398 WeakPolarHBondContact O-CG 3.38Å; F394-Q398 PolarHBondContact O-N 3Å |
| 395 | N | 95.4 | Very high | 95 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.8 | -77.8 | -72.9 | 0 | 0 | 0 | 112.6 | I271 L273 T391 L392 A397 Q398 I399 | I271-N395 PolarHBondContact O-ND2 3.33Å; L273-N395 HydrophobicContact CD2-CB 3.79Å; T391-N395 PolarHBondContact O-N 3.22Å; T391-N395 PolarHBondContact O-ND2 2.91Å; L392-N395 PolarHBondContact O-N 3.48Å; N395-A397 VanDerWaalsContact C-N 3.32Å; N395-A397 PolarHBondContact O-N 2.94Å; N395-Q398 WeakPolarHBondContact O-CB 3.22Å; N395-Q398 PolarHBondContact O-N 3.36Å; N395-Q398 PolarHBondContact OD1-NE2 3.46Å; N395-I399 WeakPolarHBondContact O-CG1 3.21Å; N395-I399 PolarHBondContact O-N 2.59Å |
| 396 | V | 95.7 | Very high | 95 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 173.2 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | L392 L393 Q398 I399 L400 | L392-V396 HydrophobicContact CD2-CG2 3.87Å; L392-V396 WeakPolarHBondContact O-CG2 3.18Å; L392-V396 PolarHBondContact O-N 3.45Å; L393-V396 PolarHBondContact O-N 3.27Å; V396-Q398 VanDerWaalsContact C-N 3.32Å; V396-Q398 PolarHBondContact O-N 2.6Å; V396-I399 PolarHBondContact O-N 2.72Å; V396-L400 HydrophobicContact CG1-CD1 4.01Å; V396-L400 HydrophobicContact CG1-CG 4.31Å; V396-L400 WeakPolarHBondContact O-CB 3.3Å; V396-L400 VanDerWaalsContact O-CG 3.31Å; V396-L400 WeakPolarHBondContact O-CG 3.48Å; V396-L400 PolarHBondContact O-N 3.38Å |
| 397 | A | 96.1 | Very high | 95 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V358 V361 L362 L393 F394 N395 L400 L401 | V358-A397 VanDerWaalsContact CG1-O 3.3Å; V358-A397 WeakPolarHBondContact CG1-O 3.37Å; V361-A397 HydrophobicContact CB-CB 4.24Å; V361-A397 HydrophobicContact CG1-CB 3.71Å; L362-A397 HydrophobicContact CD2-CB 3.63Å; L362-A397 HydrophobicContact CG-CB 3.83Å; L393-A397 WeakPolarHBondContact O-CB 3.4Å; L393-A397 PolarHBondContact O-N 3.01Å; F394-A397 PolarHBondContact O-N 3.01Å; N395-A397 VanDerWaalsContact C-N 3.32Å; N395-A397 PolarHBondContact O-N 2.94Å; A397-L400 PolarHBondContact O-N 3.3Å; A397-L401 WeakPolarHBondContact O-CB 3.3Å; A397-L401 PolarHBondContact O-N 3.43Å |
| 398 | Q | 95.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 172.3 | -66.1 | -173.7 | 76.7 | 0 | 0 | 112.2 | I325 Y338 L362 F394 N395 V396 L400 L401 V402 | I325-Q398 HydrophobicContact CD1-CB 3.97Å; I325-Q398 HydrophobicContact CG1-CB 3.89Å; Y338-Q398 VanDerWaalsContact OH-CG 3.27Å; Y338-Q398 WeakPolarHBondContact OH-CG 3.47Å; Y338-Q398 PolarHBondContact OH-OE1 3.4Å; L362-Q398 HydrophobicContact CD2-CG 3.94Å; F394-Q398 VanDerWaalsContact CD1-NE2 3.31Å; F394-Q398 HydrophobicContact CE1-CG 4.41Å; F394-Q398 WeakPolarHBondContact O-CG 3.38Å; F394-Q398 PolarHBondContact O-N 3Å; N395-Q398 WeakPolarHBondContact O-CB 3.22Å; N395-Q398 PolarHBondContact O-N 3.36Å; N395-Q398 PolarHBondContact OD1-NE2 3.46Å; V396-Q398 VanDerWaalsContact C-N 3.32Å; V396-Q398 PolarHBondContact O-N 2.6Å; Q398-L400 VanDerWaalsContact C-N 3.34Å; Q398-L400 PolarHBondContact O-N 2.9Å; Q398-L401 WeakPolarHBondContact O-CB 3.3Å; Q398-L401 PolarHBondContact O-N 3.36Å; Q398-V402 VanDerWaalsContact O-CG2 3.26Å; Q398-V402 WeakPolarHBondContact O-CG2 3.24Å; Q398-V402 PolarHBondContact O-N 2.85Å |
| 399 | I | 95.2 | Very high | 94.8 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 32% | 0.323 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.6 | -67.6 | 167.1 | 0 | 0 | 0 | 110.7 | I325 F326 N395 V396 V402 S403 | I325-I399 HydrophobicContact CD1-CG1 3.99Å; I325-I399 HydrophobicContact CG2-CD1 4.12Å; I325-I399 HydrophobicContact CG2-CG1 3.89Å; F326-I399 HydrophobicContact CZ-CD1 4.46Å; N395-I399 WeakPolarHBondContact O-CG1 3.21Å; N395-I399 PolarHBondContact O-N 2.59Å; V396-I399 PolarHBondContact O-N 2.72Å; I399-V402 PolarHBondContact O-N 3.23Å; I399-S403 VanDerWaalsContact O-CB 3.24Å; I399-S403 WeakPolarHBondContact O-CB 3.06Å; I399-S403 PolarHBondContact O-N 2.85Å; I399-S403 PolarHBondContact O-OG 3.47Å |
| 400 | L | 95.4 | Very high | 94.7 | Very high | 81 Ų | 81 | 31.5 Ų | 31.5 | 42% | 0.424 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 176.9 | -71.4 | 175.3 | 0 | 0 | 0 | 111.5 | V358 V396 A397 Q398 S403 D404 | V358-L400 HydrophobicContact CG2-CB 3.9Å; V396-L400 HydrophobicContact CG1-CD1 4.01Å; V396-L400 HydrophobicContact CG1-CG 4.31Å; V396-L400 WeakPolarHBondContact O-CB 3.3Å; V396-L400 VanDerWaalsContact O-CG 3.31Å; V396-L400 WeakPolarHBondContact O-CG 3.48Å; V396-L400 PolarHBondContact O-N 3.38Å; A397-L400 PolarHBondContact O-N 3.3Å; Q398-L400 VanDerWaalsContact C-N 3.34Å; Q398-L400 PolarHBondContact O-N 2.9Å; L400-S403 PolarHBondContact O-N 3.31Å; L400-D404 WeakPolarHBondContact O-CB 3.42Å; L400-D404 PolarHBondContact O-N 3.01Å |
| 401 | L | 95.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.8 | -54.5 | 174.8 | -174 | 64.5 | 0 | 0 | 0 | 110.7 | Y338 L339 L342 I355 V358 L362 A397 Q398 S403 D404 Y405 | Y338-L401 HydrophobicContact CE2-CD2 4.43Å; L339-L401 HydrophobicContact CD2-CD2 3.85Å; L342-L401 HydrophobicContact CD1-CD2 4.41Å; L342-L401 HydrophobicContact CD2-CD2 4.4Å; I355-L401 HydrophobicContact CD1-CD1 3.52Å; V358-L401 HydrophobicContact CG1-CB 3.74Å; V358-L401 HydrophobicContact CG1-CD1 4.01Å; V358-L401 HydrophobicContact CG1-CG 4.42Å; L362-L401 HydrophobicContact CD1-CD2 4.14Å; A397-L401 WeakPolarHBondContact O-CB 3.3Å; A397-L401 PolarHBondContact O-N 3.43Å; Q398-L401 WeakPolarHBondContact O-CB 3.3Å; Q398-L401 PolarHBondContact O-N 3.36Å; L401-S403 VanDerWaalsContact C-N 3.31Å; L401-S403 PolarHBondContact O-N 2.84Å; L401-D404 PolarHBondContact O-N 3.45Å; L401-Y405 HydrophobicContact CD1-CD2 4Å; L401-Y405 HydrophobicContact CD1-CE2 3.76Å; L401-Y405 HydrophobicContact CG-CD2 4.18Å; L401-Y405 HydrophobicContact CG-CE2 4.29Å; L401-Y405 WeakPolarHBondContact O-CD2 3.49Å; L401-Y405 PolarHBondContact O-N 3.34Å |
| 402 | V | 94.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 36 Ų | 36 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | -176.9 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | M318 A321 I325 Q398 I399 Y405 F406 | M318-V402 HydrophobicContact CE-CG1 3.24Å; M318-V402 HydrophobicContact SD-CG1 3.84Å; A321-V402 HydrophobicContact CB-CG1 4.28Å; A321-V402 HydrophobicContact CB-CG2 3.46Å; A321-V402 VanDerWaalsContact CB-CG2 3.46Å; I325-V402 HydrophobicContact CD1-CG2 4.22Å; Q398-V402 VanDerWaalsContact O-CG2 3.26Å; Q398-V402 WeakPolarHBondContact O-CG2 3.24Å; Q398-V402 PolarHBondContact O-N 2.85Å; I399-V402 PolarHBondContact O-N 3.23Å; V402-Y405 PolarHBondContact O-N 3.09Å; V402-F406 WeakPolarHBondContact O-CB 3.26Å; V402-F406 PolarHBondContact O-N 2.98Å |
| 403 | S | 94.1 | Very high | 93.7 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 42% | 0.42 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 176.8 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | I399 L400 L401 F406 Y407 | I399-S403 VanDerWaalsContact O-CB 3.24Å; I399-S403 WeakPolarHBondContact O-CB 3.06Å; I399-S403 PolarHBondContact O-N 2.85Å; I399-S403 PolarHBondContact O-OG 3.47Å; L400-S403 PolarHBondContact O-N 3.31Å; L401-S403 VanDerWaalsContact C-N 3.31Å; L401-S403 PolarHBondContact O-N 2.84Å; S403-F406 PolarHBondContact O-N 2.88Å; S403-Y407 WeakPolarHBondContact O-CB 3.35Å; S403-Y407 PolarHBondContact O-N 2.92Å |
| 404 | D | 93.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 176.7 | -161.2 | 17.6 | 0 | 0 | 0 | 110.4 | L352 R353 N354 L400 L401 Y407 A408 | L352-D404 HydrophobicContact CD2-CB 4.08Å; R353-D404 PolarHBondContact N-OD1 2.98Å; R353-D404 PolarHBondContact N-OD2 3.22Å; R353-D404 VanDerWaalsContact N-OD2 3.1Å; N354-D404 PolarHBondContact N-OD2 3.31Å; L400-D404 WeakPolarHBondContact O-CB 3.42Å; L400-D404 PolarHBondContact O-N 3.01Å; L401-D404 PolarHBondContact O-N 3.45Å; D404-Y407 PolarHBondContact O-N 3.43Å; D404-A408 WeakPolarHBondContact O-CB 3.46Å; D404-A408 PolarHBondContact O-N 3.23Å |
| 405 | Y | 95 | Very high | 92.6 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 173.2 | -92.2 | -85 | 0 | 0 | 0 | 112.9 | F317 L342 W345 L348 H349 L352 I355 L401 V402 F409 | F317-Y405 HydrophobicContact CE1-CG 4.5Å; L342-Y405 HydrophobicContact CD2-CD2 4.15Å; L342-Y405 HydrophobicContact CD2-CE1 4.34Å; L342-Y405 HydrophobicContact CD2-CE2 3.54Å; W345-Y405 HydrophobicContact CB-CD1 4Å; W345-Y405 HydrophobicContact CB-CE1 3.65Å; L348-Y405 HydrophobicContact CD1-CD1 4.13Å; H349-Y405 PolarHBondContact NE2-OH 2.83Å; H349-Y405 VanDerWaalsContact NE2-OH 3.09Å; L352-Y405 HydrophobicContact CD1-CE1 4.33Å; L352-Y405 HydrophobicContact CD1-CE2 3.96Å; L352-Y405 HydrophobicContact CD2-CD1 4.38Å; L352-Y405 HydrophobicContact CD2-CD2 4.02Å; L352-Y405 HydrophobicContact CD2-CE2 4.24Å; L352-Y405 HydrophobicContact CD2-CG 4.11Å; I355-Y405 HydrophobicContact CD1-CE2 4.39Å; L401-Y405 HydrophobicContact CD1-CD2 4Å; L401-Y405 HydrophobicContact CD1-CE2 3.76Å; L401-Y405 HydrophobicContact CG-CD2 4.18Å; L401-Y405 HydrophobicContact CG-CE2 4.29Å; L401-Y405 WeakPolarHBondContact O-CD2 3.49Å; L401-Y405 PolarHBondContact O-N 3.34Å; V402-Y405 PolarHBondContact O-N 3.09Å; Y405-F409 VanDerWaalsContact O-CB 3.32Å; Y405-F409 WeakPolarHBondContact O-CB 3.33Å; Y405-F409 PolarHBondContact O-N 3.23Å |
| 406 | F | 94.6 | Very high | 91.9 | Very high | 53 Ų | 53 | 35.6 Ų | 35.6 | 23% | 0.232 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -46 | 175.9 | -177.4 | -110.1 | 0 | 0 | 0 | 112 | L304 K307 L308 F314 M318 V402 S403 F409 L410 | L304-F406 HydrophobicContact CD2-CD2 4.4Å; L304-F406 HydrophobicContact CD2-CE2 3.91Å; L304-F406 HydrophobicContact CD2-CZ 4.31Å; K307-F406 HydrophobicContact CG-CZ 4.18Å; L308-F406 HydrophobicContact CD1-CD2 4.29Å; L308-F406 HydrophobicContact CD1-CE2 3.95Å; L308-F406 HydrophobicContact CD2-CE2 4.14Å; L308-F406 HydrophobicContact CG-CE2 4.11Å; F314-F406 HydrophobicContact CE1-CD2 4.06Å; M318-F406 HydrophobicContact CE-CB 3.75Å; M318-F406 HydrophobicContact CE-CD2 4.01Å; M318-F406 HydrophobicContact CE-CG 4.12Å; M318-F406 HydrophobicContact SD-CB 4.26Å; V402-F406 WeakPolarHBondContact O-CB 3.26Å; V402-F406 PolarHBondContact O-N 2.98Å; S403-F406 PolarHBondContact O-N 2.88Å; F406-F409 WeakPolarHBondContact O-CB 3.31Å; F406-F409 PolarHBondContact O-N 3.46Å; F406-L410 HydrophobicContact CD1-CD1 4.08Å; F406-L410 HydrophobicContact CE1-CD1 3.57Å; F406-L410 HydrophobicContact CE1-CG 4.49Å; F406-L410 HydrophobicContact CE2-CD1 4.35Å; F406-L410 HydrophobicContact CZ-CD1 3.73Å; F406-L410 HydrophobicContact CZ-CG 4.38Å; F406-L410 WeakPolarHBondContact O-CG 3.31Å; F406-L410 PolarHBondContact O-N 2.97Å; F406-L410 VanDerWaalsContact O-N 3.08Å |
| 407 | Y | 92.8 | Very high | 91.1 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 35% | 0.345 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.2 | -46.8 | 177.2 | -174.6 | -92.3 | 0 | 0 | 0 | 112 | S403 D404 F409 L410 R411 L434 | S403-Y407 WeakPolarHBondContact O-CB 3.35Å; S403-Y407 PolarHBondContact O-N 2.92Å; D404-Y407 PolarHBondContact O-N 3.43Å; Y407-F409 VanDerWaalsContact C-N 3.27Å; Y407-F409 PolarHBondContact O-N 2.96Å; Y407-L410 PolarHBondContact O-N 3.05Å; Y407-R411 WeakPolarHBondContact O-CB 3.04Å; Y407-R411 PolarHBondContact O-N 3.34Å; Y407-L434 HydrophobicContact CD2-CD1 4.22Å; Y407-L434 HydrophobicContact CE1-CD1 4.4Å; Y407-L434 HydrophobicContact CE2-CB 3.68Å; Y407-L434 HydrophobicContact CE2-CD1 3.66Å; Y407-L434 HydrophobicContact CE2-CG 4.28Å |
| 408 | A | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L348 F351 L352 D404 R412 | L348-A408 HydrophobicContact CB-CB 4.22Å; F351-A408 HydrophobicContact CB-CB 3.75Å; L352-A408 HydrophobicContact CD2-CB 3.86Å; L352-A408 HydrophobicContact CG-CB 4.44Å; D404-A408 WeakPolarHBondContact O-CB 3.46Å; D404-A408 PolarHBondContact O-N 3.23Å; A408-R412 WeakPolarHBondContact O-CB 3.34Å; A408-R412 PolarHBondContact O-N 3.18Å |
| 409 | F | 93.2 | Very high | 89.3 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -52.4 | 175.7 | -174.6 | -92.3 | 0 | 0 | 0 | 112 | L308 Q311 F314 W345 L348 Y405 F406 Y407 R411 R412 E413 | L308-F409 HydrophobicContact CD2-CD1 3.96Å; L308-F409 HydrophobicContact CD2-CE1 3.82Å; Q311-F409 HydrophobicContact CB-CE1 4.27Å; Q311-F409 HydrophobicContact CB-CZ 3.75Å; Q311-F409 HydrophobicContact CG-CE1 4.21Å; Q311-F409 HydrophobicContact CG-CZ 3.65Å; F314-F409 HydrophobicContact CB-CE2 4.19Å; F314-F409 HydrophobicContact CB-CZ 4.36Å; F314-F409 HydrophobicContact CD1-CB 4.31Å; F314-F409 AromaticContact CD1-CD1 3.78Å; F314-F409 HydrophobicContact CD1-CD1 3.78Å; F314-F409 AromaticContact CD1-CD2 3.89Å; F314-F409 HydrophobicContact CD1-CD2 3.89Å; F314-F409 HydrophobicContact CD1-CE1 4.04Å; F314-F409 HydrophobicContact CD1-CE2 4.13Å; F314-F409 AromaticContact CD1-CG 3.7Å; F314-F409 HydrophobicContact CD1-CG 3.7Å; F314-F409 HydrophobicContact CD1-CZ 4.2Å; F314-F409 AromaticContact CD2-CD2 3.93Å; F314-F409 HydrophobicContact CD2-CD2 3.93Å; F314-F409 HydrophobicContact CD2-CE2 4.28Å; F314-F409 HydrophobicContact CD2-CG 4.4Å; F314-F409 HydrophobicContact CE1-CB 3.56Å; F314-F409 AromaticContact CE1-CD1 3.75Å; F314-F409 HydrophobicContact CE1-CD1 3.75Å; F314-F409 AromaticContact CE1-CD2 3.97Å; F314-F409 HydrophobicContact CE1-CD2 3.97Å; F314-F409 HydrophobicContact CE1-CE1 4.47Å; F314-F409 AromaticContact CE1-CG 3.46Å; F314-F409 HydrophobicContact CE1-CG 3.46Å; F314-F409 VanDerWaalsContact CE1-CG 3.46Å; F314-F409 HydrophobicContact CE2-CB 4.16Å; F314-F409 HydrophobicContact CE2-CD2 4.01Å; F314-F409 HydrophobicContact CE2-CG 4.21Å; F314-F409 AromaticContact CG-CD2 3.88Å; F314-F409 HydrophobicContact CG-CD2 3.88Å; F314-F409 AromaticContact CG-CE2 3.94Å; F314-F409 HydrophobicContact CG-CE2 3.94Å; F314-F409 HydrophobicContact CG-CG 4.18Å; F314-F409 HydrophobicContact CG-CZ 4.3Å; F314-F409 HydrophobicContact CZ-CB 3.49Å; F314-F409 VanDerWaalsContact CZ-CB 3.49Å; F314-F409 HydrophobicContact CZ-CD1 4.48Å; F314-F409 HydrophobicContact CZ-CD2 4.04Å; F314-F409 AromaticContact CZ-CG 3.75Å; F314-F409 HydrophobicContact CZ-CG 3.75Å; W345-F409 HydrophobicContact CZ3-CE2 4.18Å; L348-F409 HydrophobicContact CD1-CB 3.99Å; L348-F409 HydrophobicContact CD1-CD2 4.03Å; L348-F409 HydrophobicContact CD2-CD2 4.38Å; Y405-F409 VanDerWaalsContact O-CB 3.32Å; Y405-F409 WeakPolarHBondContact O-CB 3.33Å; Y405-F409 PolarHBondContact O-N 3.23Å; F406-F409 WeakPolarHBondContact O-CB 3.31Å; F406-F409 PolarHBondContact O-N 3.46Å; Y407-F409 VanDerWaalsContact C-N 3.27Å; Y407-F409 PolarHBondContact O-N 2.96Å; F409-R411 VanDerWaalsContact C-N 3.33Å; F409-R411 PolarHBondContact O-N 2.72Å; F409-R412 PolarHBondContact O-N 3.46Å; F409-E413 PolarHBondContact O-N 3.21Å |
| 410 | L | 91.4 | Very high | 88.1 | Confident | 32 Ų | 32 | 39.3 Ų | 39.3 | 17% | 0.168 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 179.8 | -69 | -180 | 0 | 0 | 0 | 112.3 | K307 F406 Y407 E413 H414 | K307-L410 HydrophobicContact CD-CD2 4.42Å; K307-L410 HydrophobicContact CG-CD2 4.28Å; F406-L410 HydrophobicContact CD1-CD1 4.08Å; F406-L410 HydrophobicContact CE1-CD1 3.57Å; F406-L410 HydrophobicContact CE1-CG 4.49Å; F406-L410 HydrophobicContact CE2-CD1 4.35Å; F406-L410 HydrophobicContact CZ-CD1 3.73Å; F406-L410 HydrophobicContact CZ-CG 4.38Å; F406-L410 WeakPolarHBondContact O-CG 3.31Å; F406-L410 PolarHBondContact O-N 2.97Å; F406-L410 VanDerWaalsContact O-N 3.08Å; Y407-L410 PolarHBondContact O-N 3.05Å; L410-E413 PolarHBondContact O-N 3.36Å; L410-H414 WeakPolarHBondContact O-CB 3.45Å; L410-H414 PolarHBondContact O-N 3.01Å |
| 411 | R | 88.8 | Confident | 86.6 | Confident | 87 Ų | 87 | 42.3 Ų | 42.3 | 33% | 0.328 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62 | -44.7 | 176.5 | -177 | 172.4 | -179.3 | -176.7 | 4.3 | 111.4 | F351 Y407 F409 H414 H415 L432 L434 | F351-R411 HydrophobicContact CD1-CG 4.09Å; F351-R411 HydrophobicContact CE1-CG 4.45Å; Y407-R411 WeakPolarHBondContact O-CB 3.04Å; Y407-R411 PolarHBondContact O-N 3.34Å; F409-R411 VanDerWaalsContact C-N 3.33Å; F409-R411 PolarHBondContact O-N 2.72Å; R411-H414 PolarHBondContact O-N 3.32Å; R411-H415 PolarHBondContact O-CD2 3Å; R411-H415 PolarHBondContact O-N 2.94Å; R411-L432 HydrophobicContact CG-CD2 4.13Å; R411-L434 HydrophobicContact CB-CD1 4.14Å |
| 412 | R | 88.5 | Confident | 85 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 7% | 0.072 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 176.3 | -179 | 176.5 | 173.3 | -95.3 | 0.2 | 111.9 | L126 H347 L348 F351 A408 F409 H414 H415 L416 | L126-R412 PolarHBondContact O-NE 3.28Å; L126-R412 PolarHBondContact O-NH2 2.92Å; H347-R412 VanDerWaalsContact CD2-CZ 3.4Å; H347-R412 PolarHBondContact CD2-NE 3.18Å; L348-R412 HydrophobicContact CD2-CB 4.07Å; L348-R412 HydrophobicContact CD2-CG 4.47Å; F351-R412 HydrophobicContact CD2-CB 3.95Å; F351-R412 HydrophobicContact CD2-CG 4.47Å; F351-R412 HydrophobicContact CE2-CB 3.73Å; F351-R412 HydrophobicContact CE2-CG 3.87Å; F351-R412 HydrophobicContact CZ-CB 4.41Å; A408-R412 WeakPolarHBondContact O-CB 3.34Å; A408-R412 PolarHBondContact O-N 3.18Å; F409-R412 PolarHBondContact O-N 3.46Å; R412-H414 VanDerWaalsContact C-N 3.28Å; R412-H414 PolarHBondContact O-N 3.49Å; R412-H415 PolarHBondContact O-N 2.96Å; R412-L416 HydrophobicContact CG-CD1 4.24Å; R412-L416 HydrophobicContact CG-CG 4.44Å; R412-L416 WeakPolarHBondContact O-CG 3.32Å; R412-L416 PolarHBondContact O-N 2.99Å |
| 413 | E | 86 | Confident | 83.2 | Confident | 62 Ų | 62 | 51 Ų | 51 | 29% | 0.29 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.5 | -40.6 | 178.4 | -171.6 | 177.1 | -159.4 | 0 | 0 | 111.6 | F409 L410 L416 T417 | F409-E413 PolarHBondContact O-N 3.21Å; L410-E413 PolarHBondContact O-N 3.36Å; E413-L416 PolarHBondContact O-N 3.38Å; E413-T417 PolarHBondContact O-N 2.85Å; E413-T417 PolarHBondContact O-OG1 3.26Å; E413-T417 VanDerWaalsContact O-OG1 3.1Å |
| 414 | H | 84.9 | Confident | 81.6 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 30% | 0.296 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 173 | -173.4 | 74.3 | 0 | 0 | 0 | 112.2 | L410 R411 R412 L416 T417 A418 L432 | L410-H414 WeakPolarHBondContact O-CB 3.45Å; L410-H414 PolarHBondContact O-N 3.01Å; R411-H414 PolarHBondContact O-N 3.32Å; R412-H414 VanDerWaalsContact C-N 3.28Å; R412-H414 PolarHBondContact O-N 3.49Å; H414-L416 VanDerWaalsContact C-N 3.31Å; H414-L416 PolarHBondContact O-N 3.28Å; H414-T417 PolarHBondContact O-N 3.33Å; H414-T417 VanDerWaalsContact O-N 3.12Å; H414-T417 PolarHBondContact O-OG1 2.85Å; H414-A418 WeakPolarHBondContact O-CB 3.48Å; H414-A418 PolarHBondContact O-N 2.92Å; H414-L432 WeakPolarHBondContact CD2-CD1 3.22Å; H414-L432 VanDerWaalsContact NE2-CD1 3.28Å; H414-L432 WeakPolarHBondContact NE2-CD1 3.26Å |
| 415 | H | 84.8 | Confident | 79.8 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 177.4 | -72.2 | -55.4 | 0 | 0 | 0 | 113.1 | C123 L126 F351 R411 R412 T417 G419 | C123-H415 PolarHBondContact SG-O 3.41Å; L126-H415 HydrophobicContact CD1-CB 3.76Å; F351-H415 AromaticContact CE1-CD2 3.68Å; R411-H415 PolarHBondContact O-CD2 3Å; R411-H415 PolarHBondContact O-N 2.94Å; R412-H415 PolarHBondContact O-N 2.96Å; H415-T417 PolarHBondContact O-N 3.43Å; H415-G419 PolarHBondContact ND1-O 3.1Å; H415-G419 CarbonylContact O-C 3.43Å; H415-G419 WeakPolarHBondContact O-CA 3.36Å; H415-G419 PolarHBondContact O-N 2.99Å |
| 416 | L | 82 | Confident | 77.6 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.1 | -24.7 | 176.2 | -74.5 | 173.8 | 0 | 0 | 0 | 113.4 | Y119 C123 L126 R412 E413 H414 | Y119-L416 HydrophobicContact CD1-CB 4.49Å; Y119-L416 HydrophobicContact CD1-CD2 4.14Å; Y119-L416 HydrophobicContact CE1-CB 4.26Å; Y119-L416 HydrophobicContact CE1-CD2 4.06Å; C123-L416 HydrophobicContact CB-CD2 4.48Å; L126-L416 HydrophobicContact CB-CD2 3.96Å; R412-L416 HydrophobicContact CG-CD1 4.24Å; R412-L416 HydrophobicContact CG-CG 4.44Å; R412-L416 WeakPolarHBondContact O-CG 3.32Å; R412-L416 PolarHBondContact O-N 2.99Å; E413-L416 PolarHBondContact O-N 3.38Å; H414-L416 VanDerWaalsContact C-N 3.31Å; H414-L416 PolarHBondContact O-N 3.28Å |
| 417 | T | 78.9 | Confident | 75.9 | Confident | 107 Ų | 107 | 70.3 Ų | 70.3 | 66% | 0.656 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -97.7 | -37.7 | -179 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | E413 H414 H415 | E413-T417 PolarHBondContact O-N 2.85Å; E413-T417 PolarHBondContact O-OG1 3.26Å; E413-T417 VanDerWaalsContact O-OG1 3.1Å; H414-T417 PolarHBondContact O-N 3.33Å; H414-T417 VanDerWaalsContact O-N 3.12Å; H414-T417 PolarHBondContact O-OG1 2.85Å; H415-T417 PolarHBondContact O-N 3.43Å |
| 418 | A | 77.4 | Confident | 74.3 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 41% | 0.405 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -104.3 | -10.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | H414 L422 | H414-A418 WeakPolarHBondContact O-CB 3.48Å; H414-A418 PolarHBondContact O-N 2.92Å; A418-L422 HydrophobicContact CB-CD2 3.7Å |
| 419 | G | 74.9 | Confident | 72.6 | Confident | 4 Ų | 4 | 75.9 Ų | 75.9 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | trans | 97.8 | 161.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C123 H415 | C123-G419 VanDerWaalsContact SG-CA 3.56Å; H415-G419 PolarHBondContact ND1-O 3.1Å; H415-G419 CarbonylContact O-C 3.43Å; H415-G419 WeakPolarHBondContact O-CA 3.36Å; H415-G419 PolarHBondContact O-N 2.99Å | ||
| 420 | L | 69.9 | Low | 71 | Confident | 44 Ų | 44 | 77 Ų | 77 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -74.6 | -45.3 | 173.5 | -98.5 | 139.3 | 0 | 0 | 0 | 111.7 | D122 L126 L422 | D122-L420 WeakPolarHBondContact O-CD1 3.45Å; L126-L420 HydrophobicContact CD1-CD1 3.8Å; L126-L420 HydrophobicContact CD1-CG 4Å; L126-L420 HydrophobicContact CG-CD1 3.96Å; L420-L422 PolarHBondContact O-N 3Å |
| 421 | Y | 65.5 | Low | 69.4 | Low | 143 Ų | 143 | 81.6 Ų | 81.6 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -92.9 | 88.7 | 178.1 | -58.5 | -80.5 | 0 | 0 | 0 | 109.7 | D122 K423 | D122-Y421 HydrophobicContact CB-CD2 4.3Å; Y421-K423 PolarHBondContact O-N 3.27Å; Y421-K423 VanDerWaalsContact O-N 3.14Å |
| 422 | L | 61 | Low | 67.8 | Low | 31 Ų | 31 | 79.4 Ų | 79.4 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | trans | -66.6 | 114.1 | 172.9 | -65.5 | 169.2 | 0 | 0 | 0 | 108.3 | A418 L420 A430 L432 | A418-L422 HydrophobicContact CB-CD2 3.7Å; L420-L422 PolarHBondContact O-N 3Å; L422-A430 HydrophobicContact CB-CB 3.88Å; L422-A430 WeakPolarHBondContact O-CB 3.27Å; L422-A430 PolarHBondContact O-N 2.76Å; L422-L432 HydrophobicContact CD1-CB 3.99Å; L422-L432 HydrophobicContact CD1-CD1 3.85Å | ||
| 423 | K | 57.9 | Low | 66.3 | Low | 168 Ų | 168 | 83.8 Ų | 83.8 | 73% | 0.73 | 45% | 0.446 | S | S | * | . | B | Isolated β-bridge | trans | -90.5 | 128.6 | 173.1 | -66.5 | -179.6 | -179.5 | 177.5 | 0 | 109 | Y421 | Y421-K423 PolarHBondContact O-N 3.27Å; Y421-K423 VanDerWaalsContact O-N 3.14Å |
| 424 | K | 58.6 | Low | 64.7 | Low | 119 Ų | 119 | 83.8 Ų | 83.8 | 52% | 0.517 | 45% | 0.448 | S | S | . | . | trans | -61.6 | 164.8 | 164.2 | -71.9 | -174.1 | 179.3 | 167.6 | 0 | 109.4 | D426 G427 S428 A430 | K424-D426 PolarHBondContact O-N 3.14Å; K424-G427 PolarHBondContact O-N 3.41Å; K424-S428 PolarHBondContact N-O 3.42Å; K424-A430 HydrophobicContact CG-CB 3.86Å | ||
| 425 | K | 56.9 | Low | 62.5 | Low | 219 Ų | 219 | 93.4 Ų | 93.4 | 95% | 0.952 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -23.9 | 171.7 | -71.8 | -173.9 | 175.9 | -177.3 | 0 | 112.9 | ||
| 426 | D | 49.8 | Very low | 61.4 | Low | 146 Ų | 146 | 97.5 Ų | 97.5 | 78% | 0.781 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 5.3 | 179.2 | -49.7 | -33.8 | 0 | 0 | 0 | 113.9 | K424 S428 | K424-D426 PolarHBondContact O-N 3.14Å; D426-S428 VanDerWaalsContact C-N 3.33Å; D426-S428 PolarHBondContact O-N 3.37Å |
| 427 | G | 57.5 | Low | 60.3 | Low | 53 Ų | 53 | 101.5 Ų | 101.5 | 55% | 0.546 | 53% | 0.531 | S | S | . | . | S | Bend | trans | 81.9 | -2.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | K424 | K424-G427 PolarHBondContact O-N 3.41Š|
| 428 | S | 59.7 | Low | 59.2 | Low | 56 Ų | 56 | 101.2 Ų | 101.2 | 39% | 0.392 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 150 | 174.8 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | K424 D426 A430 | K424-S428 PolarHBondContact N-O 3.42Å; D426-S428 VanDerWaalsContact C-N 3.33Å; D426-S428 PolarHBondContact O-N 3.37Å; S428-A430 PolarHBondContact O-N 3.37Å |
| 429 | E | 56.4 | Low | 58.2 | Low | 149 Ų | 149 | 104.2 Ų | 104.2 | 70% | 0.696 | 53% | 0.531 | S | S | * | . | B | Isolated β-bridge | trans | -63.4 | 130 | 177.6 | -67.7 | -171.6 | 160.8 | 0 | 0 | 111.4 | ||
| 430 | A | 59.9 | Low | 57.1 | Low | 31 Ų | 31 | 110.5 Ų | 110.5 | 26% | 0.256 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -103.4 | 127.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L422 K424 S428 | L422-A430 HydrophobicContact CB-CB 3.88Å; L422-A430 WeakPolarHBondContact O-CB 3.27Å; L422-A430 PolarHBondContact O-N 2.76Å; K424-A430 HydrophobicContact CG-CB 3.86Å; S428-A430 PolarHBondContact O-N 3.37Å |
| 431 | T | 57.3 | Low | 56.3 | Low | 129 Ų | 129 | 114.9 Ų | 114.9 | 79% | 0.791 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 123.6 | 169.3 | 48.4 | 0 | 0 | 0 | 0 | 110.1 | V433 | T431-V433 PolarHBondContact O-N 3.43Š|
| 432 | L | 57 | Low | 55.6 | Low | 42 Ų | 42 | 112.9 Ų | 112.9 | 22% | 0.22 | 59% | 0.585 | C | S | . | * | trans | -66.1 | 114.6 | 174.5 | -169.7 | 81.5 | 0 | 0 | 0 | 110.2 | R411 H414 L422 L434 | R411-L432 HydrophobicContact CG-CD2 4.13Å; H414-L432 WeakPolarHBondContact CD2-CD1 3.22Å; H414-L432 VanDerWaalsContact NE2-CD1 3.28Å; H414-L432 WeakPolarHBondContact NE2-CD1 3.26Å; L422-L432 HydrophobicContact CD1-CB 3.99Å; L422-L432 HydrophobicContact CD1-CD1 3.85Å; L432-L434 HydrophobicContact CD2-CD1 4Å; L432-L434 HydrophobicContact CD2-CD2 4.11Å; L432-L434 HydrophobicContact CD2-CG 3.73Å; L432-L434 HydrophobicContact CG-CD2 4.48Å; L432-L434 HydrophobicContact CG-CG 4.15Å | ||
| 433 | V | 56.2 | Low | 55.2 | Low | 110 Ų | 110 | 119.2 Ų | 119.2 | 67% | 0.667 | 62% | 0.618 | S | S | * | * | trans | -108.6 | 98.2 | 165.1 | -175.9 | 0 | 0 | 0 | 0 | 106.7 | T431 K435 | T431-V433 PolarHBondContact O-N 3.43Å; V433-K435 HydrophobicContact CG1-CG 4.38Å; V433-K435 PolarHBondContact O-N 2.71Å; V433-K435 VanDerWaalsContact O-N 3.08Å | ||
| 434 | L | 52.6 | Low | 54.9 | Low | 63 Ų | 63 | 115.2 Ų | 115.2 | 33% | 0.33 | 61% | 0.608 | S | S | . | * | trans | -68.7 | 102.6 | 166.9 | -69.4 | 167.7 | 0 | 0 | 0 | 106.5 | Y407 R411 L432 | Y407-L434 HydrophobicContact CD2-CD1 4.22Å; Y407-L434 HydrophobicContact CE1-CD1 4.4Å; Y407-L434 HydrophobicContact CE2-CB 3.68Å; Y407-L434 HydrophobicContact CE2-CD1 3.66Å; Y407-L434 HydrophobicContact CE2-CG 4.28Å; R411-L434 HydrophobicContact CB-CD1 4.14Å; L432-L434 HydrophobicContact CD2-CD1 4Å; L432-L434 HydrophobicContact CD2-CD2 4.11Å; L432-L434 HydrophobicContact CD2-CG 3.73Å; L432-L434 HydrophobicContact CG-CD2 4.48Å; L432-L434 HydrophobicContact CG-CG 4.15Å | ||
| 435 | K | 37.5 | Very low | 54.6 | Low | 265 Ų | 265 | 114.8 Ų | 114.8 | 100% | 1.152 | 62% | 0.617 | S | S | * | * | trans | -75.7 | 0 | 171.9 | -83.3 | -169.9 | 175.8 | -176.3 | 0 | 110.9 | V433 | V433-K435 HydrophobicContact CG1-CG 4.38Å; V433-K435 PolarHBondContact O-N 2.71Å; V433-K435 VanDerWaalsContact O-N 3.08Å |
Retrieved 435 of 435 residues in 91.1 ms
(Link to these results)