| 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 | 41.5 | Very low | 47.6 | Very low | 241 Ų | 241 | 128.5 Ų | 128.5 | 100% | 1.187 | 70% | 0.696 | S | S | * | * | 0 | 90 | 0 | -79.3 | 173.6 | 151.9 | 0 | 0 | 108.9 | K3 | M1-K3 PolarHBondContact O-N 3.48Å; M1-K3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | Q | 38.2 | Very low | 48.6 | Very low | 194 Ų | 194 | 122.6 Ų | 122.6 | 91% | 0.907 | 66% | 0.663 | S | S | * | * | trans | -66.4 | 111.2 | 169.8 | -94.6 | 168.9 | -30.7 | 0 | 0 | 107.4 | T4 | Q2-T4 PolarHBondContact O-N 3.17Š| ||
| 3 | K | 43.8 | Very low | 50.9 | Low | 206 Ų | 206 | 119.9 Ų | 119.9 | 90% | 0.896 | 65% | 0.649 | S | S | * | * | trans | -58.6 | 110.2 | 164.7 | -81.1 | -179.3 | 174.9 | 178.7 | 0 | 106.1 | M1 A5 | M1-K3 PolarHBondContact O-N 3.48Å; M1-K3 VanDerWaalsContact O-N 3.14Å; K3-A5 PolarHBondContact O-N 3.18Å | ||
| 4 | T | 44.3 | Very low | 53.2 | Low | 127 Ų | 127 | 117.9 Ų | 117.9 | 78% | 0.779 | 64% | 0.637 | S | S | * | * | trans | -51.5 | 105.8 | 175.2 | -34.5 | 0 | 0 | 0 | 0 | 107.4 | Q2 T6 | Q2-T4 PolarHBondContact O-N 3.17Å; T4-T6 PolarHBondContact O-N 3.5Å | ||
| 5 | A | 47.1 | Very low | 55.3 | Low | 89 Ų | 89 | 111.1 Ų | 111.1 | 74% | 0.736 | 60% | 0.6 | S | S | * | * | trans | -66.9 | 91.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | K3 T7 | K3-A5 PolarHBondContact O-N 3.18Å; A5-T7 PolarHBondContact O-N 2.98Å | ||
| 6 | T | 44.3 | Very low | 57 | Low | 89 Ų | 89 | 104.8 Ų | 104.8 | 55% | 0.546 | 57% | 0.568 | S | S | . | * | trans | -57.3 | 108.2 | 169.1 | 36.4 | 0 | 0 | 0 | 0 | 107 | T4 I11 | T4-T6 PolarHBondContact O-N 3.5Å; T6-I11 WeakPolarHBondContact O-CD1 3.5Å; T6-I11 WeakPolarHBondContact OG1-CD1 3.3Å | ||
| 7 | T | 42.3 | Very low | 58.8 | Low | 78 Ų | 78 | 101.6 Ų | 101.6 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | trans | -54.3 | 135.3 | -177.6 | -32.9 | 0 | 0 | 0 | 0 | 108.9 | A5 S9 K10 | A5-T7 PolarHBondContact O-N 2.98Å; T7-S9 PolarHBondContact O-N 3.05Å; T7-K10 PolarHBondContact O-N 2.87Å | ||
| 8 | P | 50 | Low | 60.5 | Low | 94 Ų | 94 | 96.3 Ų | 96.3 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -49.9 | -35.6 | -173.3 | -28.4 | 32.5 | 0 | 0 | 0 | 114.2 | K10 I11 L12 | P8-K10 PolarHBondContact O-N 2.79Å; P8-I11 PolarHBondContact O-N 2.77Å; P8-L12 WeakPolarHBondContact O-CB 3.46Å; P8-L12 VanDerWaalsContact O-CD1 3.27Å; P8-L12 WeakPolarHBondContact O-CD1 3.25Å; P8-L12 VanDerWaalsContact O-CG 3.26Å; P8-L12 WeakPolarHBondContact O-CG 3.03Å; P8-L12 PolarHBondContact O-N 3.48Å |
| 9 | S | 57.7 | Low | 61.9 | Low | 65 Ų | 65 | 91.3 Ų | 91.3 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | T7 I11 L12 D13 | T7-S9 PolarHBondContact O-N 3.05Å; S9-I11 PolarHBondContact O-N 2.76Å; S9-L12 PolarHBondContact O-N 3.24Å; S9-D13 PolarHBondContact O-N 3.28Å |
| 10 | K | 56.7 | Low | 63.2 | Low | 147 Ų | 147 | 89.1 Ų | 89.1 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.8 | -38.5 | 179.7 | -73.4 | -172.6 | 176.6 | -177.4 | 0 | 112.4 | T7 P8 L14 | T7-K10 PolarHBondContact O-N 2.87Å; P8-K10 PolarHBondContact O-N 2.79Å; K10-L14 WeakPolarHBondContact O-CB 3.47Å; K10-L14 PolarHBondContact O-N 3.18Å |
| 11 | I | 57.9 | Low | 64.6 | Low | 83 Ų | 83 | 88.7 Ų | 88.7 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 176.8 | -62.1 | 164.5 | 0 | 0 | 0 | 110.2 | T6 P8 S9 L14 T15 | T6-I11 WeakPolarHBondContact O-CD1 3.5Å; T6-I11 WeakPolarHBondContact OG1-CD1 3.3Å; P8-I11 PolarHBondContact O-N 2.77Å; S9-I11 PolarHBondContact O-N 2.76Å; I11-L14 PolarHBondContact O-N 3.44Å; I11-T15 PolarHBondContact O-N 2.84Å; I11-T15 PolarHBondContact O-OG1 2.96Å |
| 12 | L | 59.7 | Low | 66.9 | Low | 58 Ų | 58 | 77.2 Ų | 77.2 | 30% | 0.304 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177.8 | -75.4 | 157.7 | 0 | 0 | 0 | 111.7 | P8 S9 T15 A16 T136 | P8-L12 WeakPolarHBondContact O-CB 3.46Å; P8-L12 VanDerWaalsContact O-CD1 3.27Å; P8-L12 WeakPolarHBondContact O-CD1 3.25Å; P8-L12 VanDerWaalsContact O-CG 3.26Å; P8-L12 WeakPolarHBondContact O-CG 3.03Å; P8-L12 PolarHBondContact O-N 3.48Å; S9-L12 PolarHBondContact O-N 3.24Å; L12-T15 PolarHBondContact O-N 3.48Å; L12-A16 PolarHBondContact O-N 3.49Å; L12-A16 VanDerWaalsContact O-N 3.1Å; L12-T136 HydrophobicContact CD2-CG2 3.47Å; L12-T136 VanDerWaalsContact CD2-CG2 3.47Å |
| 13 | D | 77.8 | Confident | 69.4 | Low | 88 Ų | 88 | 68.2 Ų | 68.2 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 177.2 | -71 | -28.5 | 0 | 0 | 0 | 112.4 | S9 T15 A16 A17 R138 | S9-D13 PolarHBondContact O-N 3.28Å; D13-T15 VanDerWaalsContact C-N 3.33Å; D13-T15 PolarHBondContact O-N 3.43Å; D13-A16 PolarHBondContact O-N 3Å; D13-A17 WeakPolarHBondContact O-CB 3.11Å; D13-A17 PolarHBondContact O-N 2.83Å; D13-R138 IonicContact OD1-CZ 2.73Å; D13-R138 IonicContact OD1-NH2 3.24Å; D13-R138 PolarHBondContact OD1-NH2 3.37Å |
| 14 | L | 83.7 | Confident | 71.7 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 48% | 0.482 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 175.7 | -165.5 | 74.6 | 0 | 0 | 0 | 111.9 | K10 I11 A17 A18 F192 | K10-L14 WeakPolarHBondContact O-CB 3.47Å; K10-L14 PolarHBondContact O-N 3.18Å; I11-L14 PolarHBondContact O-N 3.44Å; L14-A17 PolarHBondContact O-N 3.41Å; L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 2.63Å; L14-F192 HydrophobicContact CD2-CD1 3.57Å; L14-F192 HydrophobicContact CD2-CE1 3.59Å; L14-F192 HydrophobicContact CG-CD1 4.03Å; L14-F192 HydrophobicContact CG-CE1 4.24Å |
| 15 | T | 84.2 | Confident | 74 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 9% | 0.092 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 178.2 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | I11 L12 D13 A17 A18 F19 P194 | I11-T15 PolarHBondContact O-N 2.84Å; I11-T15 PolarHBondContact O-OG1 2.96Å; L12-T15 PolarHBondContact O-N 3.48Å; D13-T15 VanDerWaalsContact C-N 3.33Å; D13-T15 PolarHBondContact O-N 3.43Å; T15-A17 PolarHBondContact O-N 3.49Å; T15-A18 WeakPolarHBondContact O-CB 3.38Å; T15-A18 PolarHBondContact O-N 2.92Å; T15-F19 HydrophobicContact CG2-CD2 3.98Å; T15-F19 HydrophobicContact CG2-CE2 3.68Å; T15-F19 WeakPolarHBondContact O-CD2 3.18Å; T15-F19 PolarHBondContact O-N 2.85Å; T15-P194 HydrophobicContact CG2-CG 4.42Å |
| 16 | A | 82.8 | Confident | 76.1 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L12 D13 A18 F19 L20 F143 | L12-A16 PolarHBondContact O-N 3.49Å; L12-A16 VanDerWaalsContact O-N 3.1Å; D13-A16 PolarHBondContact O-N 3Å; A16-A18 VanDerWaalsContact C-N 3.32Å; A16-A18 PolarHBondContact O-N 2.95Å; A16-F19 PolarHBondContact O-N 3.08Å; A16-L20 WeakPolarHBondContact O-CG 3.49Å; A16-L20 PolarHBondContact O-N 3.13Å; A16-L20 VanDerWaalsContact O-N 3.1Å; A16-F143 HydrophobicContact CB-CE2 3.97Å |
| 17 | A | 86.8 | Confident | 78.3 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D13 L14 T15 L20 L21 | D13-A17 WeakPolarHBondContact O-CB 3.11Å; D13-A17 PolarHBondContact O-N 2.83Å; L14-A17 PolarHBondContact O-N 3.41Å; T15-A17 PolarHBondContact O-N 3.49Å; A17-L20 PolarHBondContact O-N 2.83Å; A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 PolarHBondContact O-N 3.33Å |
| 18 | A | 89.5 | Confident | 80.7 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L14 T15 A16 L20 L21 V22 I188 F192 L193 | L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 2.63Å; T15-A18 WeakPolarHBondContact O-CB 3.38Å; T15-A18 PolarHBondContact O-N 2.92Å; A16-A18 VanDerWaalsContact C-N 3.32Å; A16-A18 PolarHBondContact O-N 2.95Å; A18-L20 PolarHBondContact O-N 3.12Å; A18-L21 PolarHBondContact O-N 3.48Å; A18-V22 WeakPolarHBondContact O-CB 3.11Å; A18-V22 WeakPolarHBondContact O-CG2 3.32Å; A18-V22 PolarHBondContact O-N 2.95Å; A18-I188 HydrophobicContact CB-CG2 3.87Å; A18-F192 HydrophobicContact CB-CB 3.61Å; A18-F192 HydrophobicContact CB-CG 4.35Å; A18-L193 HydrophobicContact CB-CD1 3.76Å |
| 19 | F | 88.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 174.1 | -83.8 | -70.4 | 0 | 0 | 0 | 112.4 | T15 A16 V22 A23 M125 L128 A129 H132 F143 L147 L193 | T15-F19 HydrophobicContact CG2-CD2 3.98Å; T15-F19 HydrophobicContact CG2-CE2 3.68Å; T15-F19 WeakPolarHBondContact O-CD2 3.18Å; T15-F19 PolarHBondContact O-N 2.85Å; A16-F19 PolarHBondContact O-N 3.08Å; F19-V22 PolarHBondContact O-N 3.15Å; F19-A23 WeakPolarHBondContact O-CB 3.09Å; F19-A23 PolarHBondContact O-N 3.42Å; F19-M125 HydrophobicContact CD1-CE 3.54Å; F19-M125 HydrophobicContact CE1-CE 4.08Å; F19-L128 HydrophobicContact CE1-CB 4.21Å; F19-L128 HydrophobicContact CE1-CD2 4.09Å; F19-L128 HydrophobicContact CE1-CG 3.9Å; F19-L128 HydrophobicContact CZ-CD2 4.24Å; F19-L128 HydrophobicContact CZ-CG 3.89Å; F19-A129 HydrophobicContact CD1-CB 3.86Å; F19-A129 HydrophobicContact CE1-CB 3.93Å; F19-A129 HydrophobicContact CG-CB 4.45Å; F19-H132 HydrophobicContact CE2-CB 3.93Å; F19-H132 AromaticContact CE2-CD2 3.8Å; F19-H132 AromaticContact CE2-CG 3.85Å; F19-H132 HydrophobicContact CZ-CB 4.05Å; F19-F143 HydrophobicContact CB-CE1 4.34Å; F19-F143 HydrophobicContact CB-CE2 4.25Å; F19-F143 HydrophobicContact CB-CZ 3.49Å; F19-F143 VanDerWaalsContact CB-CZ 3.49Å; F19-F143 HydrophobicContact CD2-CE1 4.12Å; F19-F143 AromaticContact CD2-CZ 3.61Å; F19-F143 HydrophobicContact CD2-CZ 3.61Å; F19-F143 HydrophobicContact CE2-CZ 4.48Å; F19-F143 HydrophobicContact CG-CE1 4.18Å; F19-F143 AromaticContact CG-CZ 3.67Å; F19-F143 HydrophobicContact CG-CZ 3.67Å; F19-L147 HydrophobicContact CB-CD2 4.03Å; F19-L147 VanDerWaalsContact O-CD2 3.31Å; F19-L147 WeakPolarHBondContact O-CD2 3.41Å; F19-L193 HydrophobicContact CD1-CD2 4.3Å; F19-L193 HydrophobicContact CD1-CG 4.44Å; F19-L193 HydrophobicContact CE1-CD2 3.99Å; F19-L193 HydrophobicContact CE1-CG 4.11Å; F19-L193 HydrophobicContact CZ-CG 4.23Å |
| 20 | L | 88.3 | Confident | 84.3 | Confident | 47 Ų | 47 | 38.2 Ų | 38.2 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -46.5 | 177.9 | -66.1 | 173.3 | 0 | 0 | 0 | 111.3 | A16 A17 A18 V22 A23 F24 F146 L147 Q150 | A16-L20 WeakPolarHBondContact O-CG 3.49Å; A16-L20 PolarHBondContact O-N 3.13Å; A16-L20 VanDerWaalsContact O-N 3.1Å; A17-L20 PolarHBondContact O-N 2.83Å; A18-L20 PolarHBondContact O-N 3.12Å; L20-V22 VanDerWaalsContact C-N 3.35Å; L20-V22 PolarHBondContact O-N 3.28Å; L20-A23 PolarHBondContact O-N 3.42Å; L20-F24 PolarHBondContact O-N 2.75Å; L20-F146 HydrophobicContact CD2-CB 3.66Å; L20-L147 HydrophobicContact CD2-CD2 3.93Å; L20-L147 HydrophobicContact CD2-CG 4.19Å; L20-Q150 HydrophobicContact CB-CG 4.14Å; L20-Q150 HydrophobicContact CD2-CG 3.98Å |
| 21 | L | 91.3 | Very high | 86 | Confident | 82 Ų | 82 | 31.2 Ų | 31.2 | 43% | 0.429 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 179 | -175 | 58.9 | 0 | 0 | 0 | 111.7 | A17 A18 F24 L25 I188 | A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 PolarHBondContact O-N 3.33Å; A18-L21 PolarHBondContact O-N 3.48Å; L21-F24 PolarHBondContact O-N 3.34Å; L21-L25 HydrophobicContact CD1-CD1 4.3Å; L21-L25 HydrophobicContact CD1-CG 4.31Å; L21-L25 HydrophobicContact CG-CD1 4.01Å; L21-L25 HydrophobicContact CG-CG 4.45Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 VanDerWaalsContact O-CG 3.25Å; L21-L25 WeakPolarHBondContact O-CG 3.26Å; L21-L25 PolarHBondContact O-N 2.98Å; L21-I188 HydrophobicContact CD2-CD1 3.49Å; L21-I188 VanDerWaalsContact CD2-CD1 3.49Å; L21-I188 HydrophobicContact CD2-CG1 4.48Å; L21-I188 HydrophobicContact CG-CD1 3.88Å |
| 22 | V | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 175 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | A18 F19 L20 F24 L25 T26 M125 C185 I188 V189 L193 | A18-V22 WeakPolarHBondContact O-CB 3.11Å; A18-V22 WeakPolarHBondContact O-CG2 3.32Å; A18-V22 PolarHBondContact O-N 2.95Å; F19-V22 PolarHBondContact O-N 3.15Å; L20-V22 VanDerWaalsContact C-N 3.35Å; L20-V22 PolarHBondContact O-N 3.28Å; V22-F24 VanDerWaalsContact C-N 3.28Å; V22-F24 PolarHBondContact O-N 2.96Å; V22-L25 PolarHBondContact O-N 3.37Å; V22-T26 HydrophobicContact CG1-CG2 4.15Å; V22-T26 WeakPolarHBondContact O-CG2 3.24Å; V22-T26 PolarHBondContact O-N 3.02Å; V22-T26 PolarHBondContact O-OG1 2.9Å; V22-T26 VanDerWaalsContact O-OG1 3.1Å; V22-M125 HydrophobicContact CB-CE 3.61Å; V22-M125 HydrophobicContact CB-SD 4.35Å; V22-M125 HydrophobicContact CG1-CE 3.25Å; V22-M125 HydrophobicContact CG1-CG 3.88Å; V22-M125 HydrophobicContact CG1-SD 3.41Å; V22-M125 WeakPolarHBondContact CG1-SD 3.47Å; V22-M125 HydrophobicContact CG2-CE 4.44Å; V22-C185 VanDerWaalsContact CG1-SG 3.59Å; V22-I188 HydrophobicContact CG2-CB 4.11Å; V22-I188 HydrophobicContact CG2-CG2 3.61Å; V22-V189 HydrophobicContact CG1-CG2 4.06Å; V22-V189 HydrophobicContact CG2-CG2 3.82Å; V22-L193 HydrophobicContact CG2-CD1 4.36Å |
| 23 | A | 89.4 | Confident | 89.3 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F19 L20 T26 G27 L147 Q150 | F19-A23 WeakPolarHBondContact O-CB 3.09Å; F19-A23 PolarHBondContact O-N 3.42Å; L20-A23 PolarHBondContact O-N 3.42Å; A23-T26 PolarHBondContact O-OG1 2.91Å; A23-G27 PolarHBondContact O-N 3.42Å; A23-L147 HydrophobicContact CB-CD2 3.68Å; A23-Q150 HydrophobicContact CB-CB 4.19Å |
| 24 | F | 91.9 | Very high | 89.9 | Confident | 42 Ų | 42 | 23.5 Ų | 23.5 | 18% | 0.184 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.2 | -48.2 | 173.2 | -179.4 | -104.4 | 0 | 0 | 0 | 111.8 | L20 L21 V22 G27 I28 Q150 L153 A154 I157 | L20-F24 PolarHBondContact O-N 2.75Å; L21-F24 PolarHBondContact O-N 3.34Å; V22-F24 VanDerWaalsContact C-N 3.28Å; V22-F24 PolarHBondContact O-N 2.96Å; F24-G27 PolarHBondContact O-N 3.28Å; F24-I28 HydrophobicContact CE1-CD1 4.22Å; F24-I28 HydrophobicContact CZ-CD1 4Å; F24-I28 PolarHBondContact O-N 2.89Å; F24-Q150 HydrophobicContact CB-CB 4.12Å; F24-L153 HydrophobicContact CD2-CD2 4.27Å; F24-L153 HydrophobicContact CD2-CG 4.41Å; F24-L153 HydrophobicContact CE2-CB 4.49Å; F24-L153 HydrophobicContact CE2-CD2 4.08Å; F24-L153 HydrophobicContact CE2-CG 3.99Å; F24-A154 HydrophobicContact CD2-CB 4.06Å; F24-A154 HydrophobicContact CE2-CB 4.15Å; F24-I157 HydrophobicContact CZ-CD1 4.48Å |
| 25 | L | 93.3 | Very high | 90.2 | Very high | 24 Ų | 24 | 19.1 Ų | 19.1 | 13% | 0.126 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | -178 | -73 | 172 | 0 | 0 | 0 | 113.3 | L21 V22 I28 A29 A181 V184 C185 I188 | L21-L25 HydrophobicContact CD1-CD1 4.3Å; L21-L25 HydrophobicContact CD1-CG 4.31Å; L21-L25 HydrophobicContact CG-CD1 4.01Å; L21-L25 HydrophobicContact CG-CG 4.45Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 VanDerWaalsContact O-CG 3.25Å; L21-L25 WeakPolarHBondContact O-CG 3.26Å; L21-L25 PolarHBondContact O-N 2.98Å; V22-L25 PolarHBondContact O-N 3.37Å; L25-I28 WeakPolarHBondContact O-CG2 3.47Å; L25-A29 WeakPolarHBondContact O-CB 3.29Å; L25-A29 PolarHBondContact O-N 2.89Å; L25-A29 VanDerWaalsContact O-N 3.11Å; L25-A181 HydrophobicContact CD2-CB 4.48Å; L25-V184 HydrophobicContact CD1-CB 4.44Å; L25-V184 HydrophobicContact CD1-CG1 3.86Å; L25-C185 HydrophobicContact CB-CB 4.13Å; L25-C185 HydrophobicContact CD1-CB 4.35Å; L25-I188 HydrophobicContact CD1-CD1 3.54Å |
| 26 | T | 90.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.8 | -36.4 | 173.9 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | V22 A23 G30 A121 N122 C185 | V22-T26 HydrophobicContact CG1-CG2 4.15Å; V22-T26 WeakPolarHBondContact O-CG2 3.24Å; V22-T26 PolarHBondContact O-N 3.02Å; V22-T26 PolarHBondContact O-OG1 2.9Å; V22-T26 VanDerWaalsContact O-OG1 3.1Å; A23-T26 PolarHBondContact O-OG1 2.91Å; T26-G30 PolarHBondContact O-N 2.94Å; T26-A121 HydrophobicContact CG2-CB 4.34Å; T26-N122 WeakPolarHBondContact CB-OD1 3.42Å; T26-N122 PolarHBondContact OG1-OD1 3.29Å; T26-C185 WeakPolarHBondContact CG2-SG 3.14Å |
| 27 | G | 90.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 4% | 0.041 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.9 | -49.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | A23 F24 A29 G30 A31 A154 | A23-G27 PolarHBondContact O-N 3.42Å; F24-G27 PolarHBondContact O-N 3.28Å; G27-A29 PolarHBondContact O-N 3.44Å; G27-G30 PolarHBondContact O-N 3.36Å; G27-A31 WeakPolarHBondContact O-CB 3.19Å; G27-A31 PolarHBondContact O-N 3.44Å; G27-A154 VanDerWaalsContact C-CB 3.5Å |
| 28 | I | 93.2 | Very high | 91.4 | Very high | 18 Ų | 18 | 16.3 Ų | 16.3 | 9% | 0.092 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69.4 | -37.6 | -175.5 | -154.9 | 172.9 | 0 | 0 | 0 | 110.8 | F24 L25 G30 A31 L32 A154 L161 A181 | F24-I28 HydrophobicContact CE1-CD1 4.22Å; F24-I28 HydrophobicContact CZ-CD1 4Å; F24-I28 PolarHBondContact O-N 2.89Å; L25-I28 WeakPolarHBondContact O-CG2 3.47Å; I28-G30 VanDerWaalsContact C-N 3.28Å; I28-G30 PolarHBondContact O-N 3.38Å; I28-A31 PolarHBondContact O-N 3.39Å; I28-L32 WeakPolarHBondContact O-CB 3.45Å; I28-L32 VanDerWaalsContact O-CG 3.25Å; I28-L32 WeakPolarHBondContact O-CG 3.31Å; I28-L32 PolarHBondContact O-N 2.84Å; I28-A154 HydrophobicContact CB-CB 4.13Å; I28-L161 HydrophobicContact CD1-CD2 4.17Å; I28-A181 HydrophobicContact CG2-CB 4.3Å |
| 29 | A | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L25 G27 Q33 A181 F182 | L25-A29 WeakPolarHBondContact O-CB 3.29Å; L25-A29 PolarHBondContact O-N 2.89Å; L25-A29 VanDerWaalsContact O-N 3.11Å; G27-A29 PolarHBondContact O-N 3.44Å; A29-Q33 WeakPolarHBondContact O-CG 3.42Å; A29-Q33 PolarHBondContact O-NE2 3.47Å; A29-A181 HydrophobicContact CB-CB 4.18Å; A29-F182 HydrophobicContact CB-CD2 3.84Å; A29-F182 HydrophobicContact CB-CE1 4.21Å; A29-F182 HydrophobicContact CB-CE2 3.49Å; A29-F182 VanDerWaalsContact CB-CE2 3.49Å; A29-F182 HydrophobicContact CB-CG 4.34Å; A29-F182 HydrophobicContact CB-CZ 3.69Å |
| 30 | G | 90.3 | Very high | 91.9 | Very high | 26 Ų | 26 | 16.5 Ų | 16.5 | 27% | 0.268 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -72.4 | -41.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T26 G27 I28 L32 Q33 T34 | T26-G30 PolarHBondContact O-N 2.94Å; G27-G30 PolarHBondContact O-N 3.36Å; I28-G30 VanDerWaalsContact C-N 3.28Å; I28-G30 PolarHBondContact O-N 3.38Å; G30-L32 VanDerWaalsContact C-N 3.3Å; G30-L32 PolarHBondContact O-N 3.21Å; G30-Q33 PolarHBondContact O-N 2.98Å; G30-T34 PolarHBondContact O-N 2.79Å; G30-T34 PolarHBondContact O-OG1 2.9Å |
| 31 | A | 91.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -70.6 | -23.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G27 I28 Q33 P35 A154 W155 | G27-A31 WeakPolarHBondContact O-CB 3.19Å; G27-A31 PolarHBondContact O-N 3.44Å; I28-A31 PolarHBondContact O-N 3.39Å; A31-Q33 VanDerWaalsContact C-N 3.31Å; A31-P35 WeakPolarHBondContact O-CD 3.29Å; A31-P35 VanDerWaalsContact O-CG 3.29Å; A31-P35 WeakPolarHBondContact O-CG 3.35Å; A31-A154 WeakPolarHBondContact CB-O 3.49Å; A31-W155 HydrophobicContact CB-CD2 4.31Å; A31-W155 HydrophobicContact CB-CG 4.37Å |
| 32 | L | 93.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -26.7 | 171.5 | -78.8 | 170.3 | 0 | 0 | 0 | 112.9 | I28 G30 T36 L161 A162 L165 T177 A178 | I28-L32 WeakPolarHBondContact O-CB 3.45Å; I28-L32 VanDerWaalsContact O-CG 3.25Å; I28-L32 WeakPolarHBondContact O-CG 3.31Å; I28-L32 PolarHBondContact O-N 2.84Å; G30-L32 VanDerWaalsContact C-N 3.3Å; G30-L32 PolarHBondContact O-N 3.21Å; L32-T36 PolarHBondContact O-OG1 3.32Å; L32-L161 HydrophobicContact CD2-CB 4.35Å; L32-L161 HydrophobicContact CD2-CD2 4.23Å; L32-L161 HydrophobicContact CD2-CG 4.05Å; L32-A162 HydrophobicContact CD2-CB 3.9Å; L32-A162 WeakPolarHBondContact O-CB 3.37Å; L32-L165 HydrophobicContact CD2-CD1 4.06Å; L32-T177 HydrophobicContact CD1-CG2 4.23Å; L32-A178 HydrophobicContact CB-CB 4.34Å; L32-A178 HydrophobicContact CD1-CB 4.13Å |
| 33 | Q | 92.9 | Very high | 92.1 | Very high | 24 Ų | 24 | 15.6 Ų | 15.6 | 11% | 0.112 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -45.1 | -171.5 | -64.6 | 176.9 | 73.2 | 0 | 0 | 112.3 | A29 G30 A31 T36 L37 C95 Y175 A178 | A29-Q33 WeakPolarHBondContact O-CG 3.42Å; A29-Q33 PolarHBondContact O-NE2 3.47Å; G30-Q33 PolarHBondContact O-N 2.98Å; A31-Q33 VanDerWaalsContact C-N 3.31Å; Q33-T36 PolarHBondContact O-N 2.92Å; Q33-T36 PolarHBondContact O-OG1 3.02Å; Q33-L37 WeakPolarHBondContact O-CB 3.49Å; Q33-L37 PolarHBondContact O-N 3.47Å; Q33-C95 PolarHBondContact NE2-SG 3.16Å; Q33-C95 VanDerWaalsContact NE2-SG 3.43Å; Q33-Y175 HydrophobicContact CB-CE1 4.22Å; Q33-Y175 HydrophobicContact CG-CD1 3.92Å; Q33-Y175 HydrophobicContact CG-CE1 3.67Å; Q33-A178 HydrophobicContact CG-CB 4.33Å |
| 34 | T | 90.7 | Very high | 92.3 | Very high | 40 Ų | 40 | 18.6 Ų | 18.6 | 25% | 0.245 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -48.6 | -170.1 | -48.8 | 0 | 0 | 0 | 0 | 112.9 | G30 T36 W155 M237 W354 | G30-T34 PolarHBondContact O-N 2.79Å; G30-T34 PolarHBondContact O-OG1 2.9Å; T34-T36 VanDerWaalsContact C-N 3.33Å; T34-T36 PolarHBondContact O-N 2.74Å; T34-W155 HydrophobicContact CG2-CH2 4.15Å; T34-M237 HydrophobicContact CG2-CE 4.26Å; T34-W354 HydrophobicContact CG2-CH2 4.2Å; T34-W354 HydrophobicContact CG2-CZ2 4.23Å |
| 35 | P | 90.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -26.2 | -176.4 | -22.6 | 37.4 | 0 | 0 | 0 | 114.7 | A31 W155 P159 Y163 I259 | A31-P35 WeakPolarHBondContact O-CD 3.29Å; A31-P35 VanDerWaalsContact O-CG 3.29Å; A31-P35 WeakPolarHBondContact O-CG 3.35Å; P35-W155 HydrophobicContact CG-CZ3 4.3Å; P35-P159 HydrophobicContact CB-CB 4.19Å; P35-P159 HydrophobicContact CG-CB 3.84Å; P35-P159 HydrophobicContact CG-CG 3.9Å; P35-Y163 HydrophobicContact CB-CE2 3.92Å; P35-Y163 PolarHBondContact O-OH 3.34Å; P35-I259 HydrophobicContact CB-CD1 3.69Å; P35-I259 HydrophobicContact CG-CD1 4.29Å |
| 36 | T | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -12.1 | -174.9 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | L32 Q33 T34 S38 I39 F40 A162 Y163 A166 M174 | L32-T36 PolarHBondContact O-OG1 3.32Å; Q33-T36 PolarHBondContact O-N 2.92Å; Q33-T36 PolarHBondContact O-OG1 3.02Å; T34-T36 VanDerWaalsContact C-N 3.33Å; T34-T36 PolarHBondContact O-N 2.74Å; T36-S38 VanDerWaalsContact C-N 3.31Å; T36-S38 PolarHBondContact O-N 2.89Å; T36-I39 PolarHBondContact O-N 3.21Å; T36-F40 WeakPolarHBondContact O-CB 3.36Å; T36-F40 PolarHBondContact O-N 2.88Å; T36-A162 HydrophobicContact CG2-CB 3.63Å; T36-Y163 HydrophobicContact CG2-CD2 3.94Å; T36-Y163 HydrophobicContact CG2-CE2 3.83Å; T36-Y163 HydrophobicContact CG2-CG 4.35Å; T36-A166 HydrophobicContact CG2-CB 4.46Å; T36-M174 HydrophobicContact CG2-SD 3.79Å; T36-M174 WeakPolarHBondContact OG1-CE 3.2Å; T36-M174 PolarHBondContact OG1-SD 3.38Å |
| 37 | L | 93.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 24 Ų | 24 | 9% | 0.094 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.1 | -40.5 | -176.7 | -177.8 | 60.7 | 0 | 0 | 0 | 112.4 | Q33 F40 L41 F55 F56 F98 | Q33-L37 WeakPolarHBondContact O-CB 3.49Å; Q33-L37 PolarHBondContact O-N 3.47Å; L37-F40 HydrophobicContact CD1-CD1 4.25Å; L37-F40 PolarHBondContact O-N 3.11Å; L37-L41 HydrophobicContact CD1-CD1 4.17Å; L37-L41 HydrophobicContact CD1-CD2 4.41Å; L37-L41 HydrophobicContact CD1-CG 4.03Å; L37-L41 HydrophobicContact CG-CD1 4.01Å; L37-L41 HydrophobicContact CG-CG 4.3Å; L37-L41 WeakPolarHBondContact O-CB 3.18Å; L37-L41 WeakPolarHBondContact O-CG 3.2Å; L37-L41 PolarHBondContact O-N 2.96Å; L37-F55 HydrophobicContact CD1-CE1 4.16Å; L37-F55 HydrophobicContact CD2-CD1 3.98Å; L37-F55 HydrophobicContact CD2-CE1 3.97Å; L37-F56 HydrophobicContact CB-CZ 4.05Å; L37-F56 HydrophobicContact CD2-CE1 3.92Å; L37-F56 HydrophobicContact CD2-CE2 4.45Å; L37-F56 HydrophobicContact CD2-CZ 3.86Å; L37-F56 HydrophobicContact CG-CZ 4.11Å; L37-F98 HydrophobicContact CD1-CD1 4.48Å; L37-F98 HydrophobicContact CD1-CE1 3.8Å |
| 38 | S | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 178.2 | -57.4 | 0 | 0 | 0 | 0 | 112 | T36 L41 A42 F56 I238 | T36-S38 VanDerWaalsContact C-N 3.31Å; T36-S38 PolarHBondContact O-N 2.89Å; S38-L41 PolarHBondContact O-N 3.29Å; S38-A42 WeakPolarHBondContact O-CB 3.4Å; S38-A42 PolarHBondContact O-N 2.73Å; S38-F56 WeakPolarHBondContact OG-CE2 3.2Å; S38-I238 WeakPolarHBondContact CB-O 3.25Å; S38-I238 PolarHBondContact OG-O 2.83Å |
| 39 | I | 92.2 | Very high | 92 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 177.8 | -55.9 | 175.2 | 0 | 0 | 0 | 110.3 | T36 L41 A42 D43 Y163 M167 F171 P241 L242 I245 | T36-I39 PolarHBondContact O-N 3.21Å; I39-L41 VanDerWaalsContact C-N 3.32Å; I39-L41 PolarHBondContact O-N 2.71Å; I39-A42 PolarHBondContact O-N 2.95Å; I39-D43 HydrophobicContact CG2-CB 4.33Å; I39-D43 WeakPolarHBondContact O-CB 3.22Å; I39-D43 PolarHBondContact O-N 3.08Å; I39-Y163 HydrophobicContact CD1-CE1 3.58Å; I39-M167 HydrophobicContact CB-CE 4.18Å; I39-M167 HydrophobicContact CD1-CE 3.45Å; I39-M167 VanDerWaalsContact CD1-CE 3.45Å; I39-M167 HydrophobicContact CG1-CE 4.43Å; I39-M167 HydrophobicContact CG2-CE 3.75Å; I39-F171 HydrophobicContact CB-CZ 4.22Å; I39-F171 HydrophobicContact CG2-CZ 3.88Å; I39-P241 HydrophobicContact CD1-CB 3.6Å; I39-P241 HydrophobicContact CG1-CB 3.69Å; I39-L242 HydrophobicContact CG1-CD2 4.36Å; I39-I245 HydrophobicContact CD1-CD1 3.59Å; I39-I245 HydrophobicContact CG1-CD1 4.15Å |
| 40 | F | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -57.3 | -45.7 | 175.8 | 173.7 | -102.2 | 0 | 0 | 0 | 111.9 | T36 L37 E44 L45 F98 L107 F171 Y175 | T36-F40 WeakPolarHBondContact O-CB 3.36Å; T36-F40 PolarHBondContact O-N 2.88Å; L37-F40 HydrophobicContact CD1-CD1 4.25Å; L37-F40 PolarHBondContact O-N 3.11Å; F40-E44 HydrophobicContact CD2-CB 3.85Å; F40-E44 HydrophobicContact CD2-CG 3.9Å; F40-E44 HydrophobicContact CE2-CB 3.82Å; F40-E44 HydrophobicContact CE2-CG 4.04Å; F40-E44 VanDerWaalsContact O-CB 3.29Å; F40-E44 WeakPolarHBondContact O-CB 3.39Å; F40-E44 PolarHBondContact O-N 2.62Å; F40-L45 HydrophobicContact CD1-CD1 4.17Å; F40-L45 HydrophobicContact CE1-CD1 3.53Å; F40-L45 HydrophobicContact CE2-CD1 4.32Å; F40-L45 HydrophobicContact CZ-CD1 3.64Å; F40-L45 PolarHBondContact O-N 2.99Å; F40-F98 HydrophobicContact CD1-CD1 4.33Å; F40-F98 AromaticContact CE1-CD1 3.78Å; F40-F98 HydrophobicContact CE1-CD1 3.78Å; F40-F98 HydrophobicContact CE1-CE1 4.35Å; F40-F98 HydrophobicContact CZ-CD1 4.43Å; F40-L107 HydrophobicContact CE1-CD1 3.62Å; F40-L107 HydrophobicContact CZ-CD1 4.06Å; F40-F171 HydrophobicContact CB-CD1 3.81Å; F40-F171 HydrophobicContact CB-CE1 3.69Å; F40-F171 HydrophobicContact CB-CG 4.42Å; F40-F171 HydrophobicContact CB-CZ 4.22Å; F40-F171 HydrophobicContact CD2-CB 3.75Å; F40-F171 AromaticContact CD2-CD1 3.79Å; F40-F171 HydrophobicContact CD2-CD1 3.79Å; F40-F171 HydrophobicContact CD2-CD2 4.14Å; F40-F171 HydrophobicContact CD2-CE1 4.42Å; F40-F171 AromaticContact CD2-CG 3.63Å; F40-F171 HydrophobicContact CD2-CG 3.63Å; F40-F171 HydrophobicContact CE2-CB 4.12Å; F40-F171 HydrophobicContact CE2-CG 4.45Å; F40-F171 HydrophobicContact CG-CD1 4.24Å; F40-F171 HydrophobicContact CG-CG 4.49Å; F40-Y175 HydrophobicContact CD1-CE2 4.27Å; F40-Y175 AromaticContact CD2-CE2 3.86Å; F40-Y175 HydrophobicContact CD2-CE2 3.86Å; F40-Y175 HydrophobicContact CE1-CE2 4.31Å; F40-Y175 AromaticContact CE2-CE2 3.9Å; F40-Y175 HydrophobicContact CE2-CE2 3.9Å; F40-Y175 HydrophobicContact CG-CE2 4.03Å; F40-Y175 HydrophobicContact CZ-CE2 4.12Å |
| 41 | L | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -65.5 | -43.1 | 177.3 | -67.5 | 174 | 0 | 0 | 0 | 111.4 | L37 S38 I39 L45 K46 A47 V52 F55 | L37-L41 HydrophobicContact CD1-CD1 4.17Å; L37-L41 HydrophobicContact CD1-CD2 4.41Å; L37-L41 HydrophobicContact CD1-CG 4.03Å; L37-L41 HydrophobicContact CG-CD1 4.01Å; L37-L41 HydrophobicContact CG-CG 4.3Å; L37-L41 WeakPolarHBondContact O-CB 3.18Å; L37-L41 WeakPolarHBondContact O-CG 3.2Å; L37-L41 PolarHBondContact O-N 2.96Å; S38-L41 PolarHBondContact O-N 3.29Å; I39-L41 VanDerWaalsContact C-N 3.32Å; I39-L41 PolarHBondContact O-N 2.71Å; L41-L45 HydrophobicContact CD2-CD2 3.89Å; L41-L45 CarbonylContact O-C 3.44Å; L41-L45 VanDerWaalsContact O-CB 3.24Å; L41-L45 WeakPolarHBondContact O-CB 3.36Å; L41-L45 PolarHBondContact O-N 3.01Å; L41-K46 PolarHBondContact O-N 3.08Å; L41-A47 HydrophobicContact CB-CB 4.18Å; L41-A47 WeakPolarHBondContact O-CB 3.31Å; L41-A47 PolarHBondContact O-N 2.95Å; L41-V52 HydrophobicContact CB-CG2 3.97Å; L41-V52 HydrophobicContact CD1-CG1 4.33Å; L41-F55 HydrophobicContact CD1-CB 3.59Å; L41-F55 HydrophobicContact CD1-CD1 3.85Å; L41-F55 HydrophobicContact CD1-CD2 3.93Å; L41-F55 HydrophobicContact CD1-CG 3.52Å; L41-F55 HydrophobicContact CD2-CD2 3.77Å; L41-F55 HydrophobicContact CD2-CE2 3.83Å; L41-F55 HydrophobicContact CD2-CG 4.21Å; L41-F55 HydrophobicContact CD2-CZ 4.32Å |
| 42 | A | 91.3 | Very high | 91.9 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 23% | 0.231 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -68.9 | -45.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S38 I39 K46 L242 | S38-A42 WeakPolarHBondContact O-CB 3.4Å; S38-A42 PolarHBondContact O-N 2.73Å; I39-A42 PolarHBondContact O-N 2.95Å; A42-K46 WeakPolarHBondContact O-CA 3.5Å; A42-K46 PolarHBondContact O-N 3.15Å; A42-L242 HydrophobicContact CB-CD2 3.74Å |
| 43 | D | 90.8 | Very high | 91.8 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 44% | 0.439 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -88.9 | -48.8 | -172.2 | -172.8 | 33.7 | 0 | 0 | 0 | 113.1 | I39 K46 | I39-D43 HydrophobicContact CG2-CB 4.33Å; I39-D43 WeakPolarHBondContact O-CB 3.22Å; I39-D43 PolarHBondContact O-N 3.08Å; D43-K46 VanDerWaalsContact O-CD 3.25Å; D43-K46 WeakPolarHBondContact O-CD 3.19Å; D43-K46 WeakPolarHBondContact O-CE 3.43Å; D43-K46 PolarHBondContact O-NZ 3.29Å; D43-K46 IonicContact OD1-NZ 2.79Å; D43-K46 PolarHBondContact OD1-NZ 2.82Å |
| 44 | E | 93.2 | Very high | 91.8 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -83.9 | -29.1 | -175 | -74.8 | -99.3 | -140 | 0 | 0 | 112.6 | F40 R102 F171 | F40-E44 HydrophobicContact CD2-CB 3.85Å; F40-E44 HydrophobicContact CD2-CG 3.9Å; F40-E44 HydrophobicContact CE2-CB 3.82Å; F40-E44 HydrophobicContact CE2-CG 4.04Å; F40-E44 VanDerWaalsContact O-CB 3.29Å; F40-E44 WeakPolarHBondContact O-CB 3.39Å; F40-E44 PolarHBondContact O-N 2.62Å; E44-R102 VanDerWaalsContact CD-NE 3.3Å; E44-R102 IonicContact OE1-CZ 3.54Å; E44-R102 IonicContact OE1-NE 3.66Å; E44-R102 IonicContact OE1-NH2 3.44Å; E44-R102 PolarHBondContact OE1-NH2 3.08Å; E44-R102 IonicContact OE2-CZ 3.94Å; E44-R102 IonicContact OE2-NE 2.76Å; E44-R102 PolarHBondContact OE2-NE 3.42Å; E44-R102 IonicContact OE2-NH2 2.9Å; E44-R102 PolarHBondContact OE2-NH2 3.27Å; E44-F171 HydrophobicContact CG-CD2 3.65Å; E44-F171 HydrophobicContact CG-CE2 4.1Å; E44-F171 HydrophobicContact CG-CG 4.41Å |
| 45 | L | 93.9 | Very high | 92 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 13% | 0.131 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -102.8 | -5.2 | 178.3 | -81.6 | 72.6 | 0 | 0 | 0 | 113.2 | F40 L41 A47 R102 Y104 L107 | F40-L45 HydrophobicContact CD1-CD1 4.17Å; F40-L45 HydrophobicContact CE1-CD1 3.53Å; F40-L45 HydrophobicContact CE2-CD1 4.32Å; F40-L45 HydrophobicContact CZ-CD1 3.64Å; F40-L45 PolarHBondContact O-N 2.99Å; L41-L45 HydrophobicContact CD2-CD2 3.89Å; L41-L45 CarbonylContact O-C 3.44Å; L41-L45 VanDerWaalsContact O-CB 3.24Å; L41-L45 WeakPolarHBondContact O-CB 3.36Å; L41-L45 PolarHBondContact O-N 3.01Å; L45-A47 HydrophobicContact CB-CB 4.44Å; L45-A47 PolarHBondContact O-N 3.22Å; L45-A47 VanDerWaalsContact O-N 3.13Å; L45-R102 WeakPolarHBondContact CG-O 3.31Å; L45-Y104 VanDerWaalsContact CD2-CA 3.48Å; L45-Y104 HydrophobicContact CD2-CD2 4.2Å; L45-L107 HydrophobicContact CD1-CD1 4.13Å; L45-L107 HydrophobicContact CD2-CD1 3.81Å |
| 46 | K | 91.1 | Very high | 92.1 | Very high | 151 Ų | 151 | 37.8 Ų | 37.8 | 66% | 0.657 | 18% | 0.182 | S | C | * | . | trans | 50.5 | 34.5 | -173.7 | -55 | -55 | 180 | -161 | 0 | 111.9 | L41 A42 D43 | L41-K46 PolarHBondContact O-N 3.08Å; A42-K46 WeakPolarHBondContact O-CA 3.5Å; A42-K46 PolarHBondContact O-N 3.15Å; D43-K46 VanDerWaalsContact O-CD 3.25Å; D43-K46 WeakPolarHBondContact O-CD 3.19Å; D43-K46 WeakPolarHBondContact O-CE 3.43Å; D43-K46 PolarHBondContact O-NZ 3.29Å; D43-K46 IonicContact OD1-NZ 2.79Å; D43-K46 PolarHBondContact OD1-NZ 2.82Å | ||
| 47 | A | 91.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | trans | -72.7 | 133.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L41 L45 M51 V52 Y104 | L41-A47 HydrophobicContact CB-CB 4.18Å; L41-A47 WeakPolarHBondContact O-CB 3.31Å; L41-A47 PolarHBondContact O-N 2.95Å; L45-A47 HydrophobicContact CB-CB 4.44Å; L45-A47 PolarHBondContact O-N 3.22Å; L45-A47 VanDerWaalsContact O-N 3.13Å; A47-M51 HydrophobicContact CB-CB 3.98Å; A47-V52 HydrophobicContact CB-CG2 4.3Å; A47-Y104 HydrophobicContact CB-CD2 4.38Å | ||
| 48 | R | 89.6 | Confident | 92.1 | Very high | 141 Ų | 141 | 38.4 Ų | 38.4 | 53% | 0.532 | 19% | 0.19 | S | C | . | . | trans | -68.3 | 156.2 | 172.9 | -58.6 | 177.5 | 78.1 | -137.8 | -2.2 | 109.5 | I50 M51 V52 E366 | R48-I50 HydrophobicContact CB-CG2 4.27Å; R48-I50 PolarHBondContact O-N 3.36Å; R48-I50 VanDerWaalsContact O-N 3.08Å; R48-M51 WeakPolarHBondContact O-CA 3.47Å; R48-M51 VanDerWaalsContact O-CB 3.31Å; R48-M51 WeakPolarHBondContact O-CB 3.19Å; R48-M51 PolarHBondContact O-N 3.11Å; R48-V52 PolarHBondContact O-N 3.09Å; R48-V52 VanDerWaalsContact O-N 3.15Å; R48-E366 IonicContact CZ-OE1 3.96Å; R48-E366 IonicContact NH1-OE1 2.72Å; R48-E366 PolarHBondContact NH1-OE1 2.84Å; R48-E366 IonicContact NH1-OE2 3.71Å; R48-E366 IonicContact NH2-OE1 3.88Å; R48-E366 PolarHBondContact NH2-OE1 3.44Å | ||
| 49 | P | 86.5 | Confident | 92.1 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 23% | 0.234 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -50.5 | -39 | 179.3 | -29.9 | 36 | 0 | 0 | 0 | 113.8 | M51 V52 G53 V365 | P49-M51 VanDerWaalsContact C-N 3.29Å; P49-M51 PolarHBondContact O-N 3.24Å; P49-V52 WeakPolarHBondContact O-CB 3.46Å; P49-V52 PolarHBondContact O-N 3.46Å; P49-V52 VanDerWaalsContact O-N 3.08Å; P49-G53 PolarHBondContact O-N 3.46Å; P49-V365 HydrophobicContact CB-CB 3.69Å; P49-V365 HydrophobicContact CB-CG1 3.52Å; P49-V365 HydrophobicContact CG-CB 4.3Å; P49-V365 HydrophobicContact CG-CG1 3.59Å |
| 50 | I | 89.5 | Confident | 92 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 21% | 0.21 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -36.9 | 175 | -161.2 | 169.3 | 0 | 0 | 0 | 114.2 | R48 F54 G362 E366 | R48-I50 HydrophobicContact CB-CG2 4.27Å; R48-I50 PolarHBondContact O-N 3.36Å; R48-I50 VanDerWaalsContact O-N 3.08Å; I50-F54 HydrophobicContact CD1-CE2 3.94Å; I50-F54 HydrophobicContact CG1-CD2 3.93Å; I50-F54 HydrophobicContact CG1-CE2 3.6Å; I50-F54 HydrophobicContact CG1-CZ 4.41Å; I50-F54 WeakPolarHBondContact O-CB 3.48Å; I50-F54 WeakPolarHBondContact O-CD2 3.36Å; I50-F54 WeakPolarHBondContact O-CG 3.42Å; I50-F54 PolarHBondContact O-N 3.32Å; I50-G362 VanDerWaalsContact CA-CA 3.47Å; I50-E366 WeakPolarHBondContact CB-OE2 3.13Å; I50-E366 WeakPolarHBondContact CD1-OE2 3.17Å; I50-E366 WeakPolarHBondContact CG2-OE2 3.46Å |
| 51 | M | 92.5 | Very high | 91.9 | Very high | 53 Ų | 53 | 43.7 Ų | 43.7 | 26% | 0.261 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.6 | -33.7 | 176.9 | -63.9 | 177.3 | 67.5 | 0 | 0 | 111.1 | A47 R48 P49 F55 Y104 | A47-M51 HydrophobicContact CB-CB 3.98Å; R48-M51 WeakPolarHBondContact O-CA 3.47Å; R48-M51 VanDerWaalsContact O-CB 3.31Å; R48-M51 WeakPolarHBondContact O-CB 3.19Å; R48-M51 PolarHBondContact O-N 3.11Å; P49-M51 VanDerWaalsContact C-N 3.29Å; P49-M51 PolarHBondContact O-N 3.24Å; M51-F55 WeakPolarHBondContact O-CB 3.39Å; M51-F55 PolarHBondContact O-N 2.88Å; M51-Y104 HydrophobicContact CB-CD2 4.45Å; M51-Y104 HydrophobicContact CB-CE2 3.71Å; M51-Y104 HydrophobicContact CE-CD1 3.5Å; M51-Y104 VanDerWaalsContact CE-CD1 3.5Å; M51-Y104 HydrophobicContact CE-CD2 3.67Å; M51-Y104 HydrophobicContact CE-CE1 3.77Å; M51-Y104 HydrophobicContact CE-CE2 3.93Å; M51-Y104 HydrophobicContact CE-CG 3.44Å; M51-Y104 VanDerWaalsContact CE-CG 3.44Å; M51-Y104 WeakPolarHBondContact O-CE2 3.5Å; M51-Y104 PolarHBondContact O-OH 3.13Å |
| 52 | V | 92.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -50.5 | 172.5 | 179.7 | 0 | 0 | 0 | 0 | 110 | L41 A47 R48 P49 F54 F55 F56 I238 | L41-V52 HydrophobicContact CB-CG2 3.97Å; L41-V52 HydrophobicContact CD1-CG1 4.33Å; A47-V52 HydrophobicContact CB-CG2 4.3Å; R48-V52 PolarHBondContact O-N 3.09Å; R48-V52 VanDerWaalsContact O-N 3.15Å; P49-V52 WeakPolarHBondContact O-CB 3.46Å; P49-V52 PolarHBondContact O-N 3.46Å; P49-V52 VanDerWaalsContact O-N 3.08Å; V52-F54 PolarHBondContact O-N 2.69Å; V52-F55 WeakPolarHBondContact O-CA 3.33Å; V52-F55 VanDerWaalsContact O-CB 3.26Å; V52-F55 WeakPolarHBondContact O-CB 3.41Å; V52-F55 PolarHBondContact O-N 3.34Å; V52-F56 HydrophobicContact CG1-CD2 4.07Å; V52-F56 HydrophobicContact CG1-CE2 3.92Å; V52-F56 WeakPolarHBondContact O-CD2 3.43Å; V52-F56 PolarHBondContact O-N 2.85Å; V52-F56 VanDerWaalsContact O-N 3.16Å; V52-I238 HydrophobicContact CG1-CG2 4.01Å |
| 53 | G | 92 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.6 | -47.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P49 F55 F56 T57 G358 | P49-G53 PolarHBondContact O-N 3.46Å; G53-F55 PolarHBondContact O-N 3.38Å; G53-F56 PolarHBondContact O-N 2.8Å; G53-T57 PolarHBondContact O-N 2.89Å; G53-T57 PolarHBondContact O-OG1 2.95Å; G53-G358 CarbonylContact C-O 3.36Å; G53-G358 WeakPolarHBondContact CA-O 3.43Å; G53-G358 CarbonylContact O-C 3.52Å; G53-G358 WeakPolarHBondContact O-CA 3.31Å |
| 54 | F | 92.6 | Very high | 91.6 | Very high | 118 Ų | 118 | 43.8 Ų | 43.8 | 52% | 0.518 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.1 | -32.7 | 174.2 | -80.6 | -49.9 | 0 | 0 | 0 | 113.2 | I50 V52 G58 | I50-F54 HydrophobicContact CD1-CE2 3.94Å; I50-F54 HydrophobicContact CG1-CD2 3.93Å; I50-F54 HydrophobicContact CG1-CE2 3.6Å; I50-F54 HydrophobicContact CG1-CZ 4.41Å; I50-F54 WeakPolarHBondContact O-CB 3.48Å; I50-F54 WeakPolarHBondContact O-CD2 3.36Å; I50-F54 WeakPolarHBondContact O-CG 3.42Å; I50-F54 PolarHBondContact O-N 3.32Å; V52-F54 PolarHBondContact O-N 2.69Å; F54-G58 PolarHBondContact O-N 2.85Å |
| 55 | F | 95 | Very high | 91.4 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.1 | -45.1 | 177.9 | -157.2 | -78.1 | 0 | 0 | 0 | 111.9 | L37 L41 M51 V52 G53 S59 F98 Y104 L107 L108 V112 | L37-F55 HydrophobicContact CD1-CE1 4.16Å; L37-F55 HydrophobicContact CD2-CD1 3.98Å; L37-F55 HydrophobicContact CD2-CE1 3.97Å; L41-F55 HydrophobicContact CD1-CB 3.59Å; L41-F55 HydrophobicContact CD1-CD1 3.85Å; L41-F55 HydrophobicContact CD1-CD2 3.93Å; L41-F55 HydrophobicContact CD1-CG 3.52Å; L41-F55 HydrophobicContact CD2-CD2 3.77Å; L41-F55 HydrophobicContact CD2-CE2 3.83Å; L41-F55 HydrophobicContact CD2-CG 4.21Å; L41-F55 HydrophobicContact CD2-CZ 4.32Å; M51-F55 WeakPolarHBondContact O-CB 3.39Å; M51-F55 PolarHBondContact O-N 2.88Å; V52-F55 WeakPolarHBondContact O-CA 3.33Å; V52-F55 VanDerWaalsContact O-CB 3.26Å; V52-F55 WeakPolarHBondContact O-CB 3.41Å; V52-F55 PolarHBondContact O-N 3.34Å; G53-F55 PolarHBondContact O-N 3.38Å; F55-S59 VanDerWaalsContact O-CB 3.31Å; F55-S59 WeakPolarHBondContact O-CB 3.46Å; F55-S59 PolarHBondContact O-N 3.43Å; F55-S59 PolarHBondContact O-OG 3.49Å; F55-F98 HydrophobicContact CE1-CE1 4.3Å; F55-F98 HydrophobicContact CE1-CZ 4.07Å; F55-F98 AromaticContact CZ-CE1 3.87Å; F55-F98 HydrophobicContact CZ-CE1 3.87Å; F55-F98 AromaticContact CZ-CZ 3.7Å; F55-F98 HydrophobicContact CZ-CZ 3.7Å; F55-Y104 HydrophobicContact CB-CE2 4.4Å; F55-Y104 HydrophobicContact CD2-CD2 4.27Å; F55-Y104 AromaticContact CD2-CE2 3.74Å; F55-Y104 HydrophobicContact CD2-CE2 3.74Å; F55-L107 HydrophobicContact CE2-CB 3.85Å; F55-L107 HydrophobicContact CZ-CB 3.98Å; F55-L108 HydrophobicContact CB-CD1 4.44Å; F55-L108 HydrophobicContact CD2-CB 4.04Å; F55-L108 HydrophobicContact CD2-CD1 3.92Å; F55-L108 HydrophobicContact CE2-CB 3.91Å; F55-L108 HydrophobicContact CE2-CD1 4.37Å; F55-L108 HydrophobicContact CG-CD1 4.15Å; F55-V112 HydrophobicContact CD1-CG2 4.25Å; F55-V112 HydrophobicContact CE1-CG2 3.62Å; F55-V112 HydrophobicContact CZ-CG2 3.78Å |
| 56 | F | 92.6 | Very high | 91.2 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.9 | -40 | 177 | -79.2 | -78.1 | 0 | 0 | 0 | 112.4 | L37 S38 V52 G53 S59 A60 I238 W354 | L37-F56 HydrophobicContact CB-CZ 4.05Å; L37-F56 HydrophobicContact CD2-CE1 3.92Å; L37-F56 HydrophobicContact CD2-CE2 4.45Å; L37-F56 HydrophobicContact CD2-CZ 3.86Å; L37-F56 HydrophobicContact CG-CZ 4.11Å; S38-F56 WeakPolarHBondContact OG-CE2 3.2Å; V52-F56 HydrophobicContact CG1-CD2 4.07Å; V52-F56 HydrophobicContact CG1-CE2 3.92Å; V52-F56 WeakPolarHBondContact O-CD2 3.43Å; V52-F56 PolarHBondContact O-N 2.85Å; V52-F56 VanDerWaalsContact O-N 3.16Å; G53-F56 PolarHBondContact O-N 2.8Å; F56-S59 WeakPolarHBondContact O-CB 3.39Å; F56-S59 PolarHBondContact O-N 3.13Å; F56-A60 PolarHBondContact O-N 2.89Å; F56-I238 HydrophobicContact CB-CD1 3.89Å; F56-I238 HydrophobicContact CB-CG1 4.44Å; F56-I238 HydrophobicContact CD1-CD1 4.5Å; F56-I238 HydrophobicContact CD1-CG1 4.22Å; F56-I238 HydrophobicContact CD2-CB 4.45Å; F56-I238 HydrophobicContact CD2-CD1 4Å; F56-I238 HydrophobicContact CD2-CG1 3.73Å; F56-I238 HydrophobicContact CD2-CG2 3.94Å; F56-I238 HydrophobicContact CE1-CG1 4.37Å; F56-I238 HydrophobicContact CE2-CB 4.4Å; F56-I238 HydrophobicContact CE2-CG1 3.92Å; F56-I238 HydrophobicContact CE2-CG2 3.94Å; F56-I238 HydrophobicContact CG-CD1 3.89Å; F56-I238 HydrophobicContact CG-CG1 3.88Å; F56-I238 HydrophobicContact CZ-CG1 4.22Å; F56-W354 HydrophobicContact CB-CE3 4.25Å; F56-W354 HydrophobicContact CB-CZ3 4.27Å; F56-W354 AromaticContact CD1-CE3 3.83Å; F56-W354 HydrophobicContact CD1-CE3 3.83Å; F56-W354 AromaticContact CD1-CH2 3.74Å; F56-W354 HydrophobicContact CD1-CH2 3.74Å; F56-W354 AromaticContact CD1-CZ3 3.17Å; F56-W354 HydrophobicContact CD1-CZ3 3.17Å; F56-W354 AromaticContact CE1-CH2 3.7Å; F56-W354 HydrophobicContact CE1-CH2 3.7Å; F56-W354 AromaticContact CE1-CZ3 3.57Å; F56-W354 HydrophobicContact CE1-CZ3 3.57Å; F56-W354 HydrophobicContact CG-CE3 4.35Å; F56-W354 AromaticContact CG-CZ3 3.88Å; F56-W354 HydrophobicContact CG-CZ3 3.88Å |
| 57 | T | 93 | Very high | 90.8 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | 173.4 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | G53 S59 A60 I61 I355 G358 S359 | G53-T57 PolarHBondContact O-N 2.89Å; G53-T57 PolarHBondContact O-OG1 2.95Å; T57-S59 VanDerWaalsContact C-N 3.27Å; T57-S59 PolarHBondContact O-N 3.23Å; T57-A60 PolarHBondContact O-N 3.32Å; T57-I61 HydrophobicContact CG2-CD1 3.84Å; T57-I61 HydrophobicContact CG2-CG1 4.49Å; T57-I61 WeakPolarHBondContact O-CG1 3.26Å; T57-I61 PolarHBondContact O-N 3.42Å; T57-I355 HydrophobicContact CG2-CG2 4.37Å; T57-I355 PolarHBondContact OG1-O 3.42Å; T57-G358 VanDerWaalsContact OG1-CA 3.29Å; T57-G358 WeakPolarHBondContact OG1-CA 3.22Å; T57-S359 WeakPolarHBondContact CG2-OG 3.36Å; T57-S359 PolarHBondContact OG1-N 3.46Å; T57-S359 PolarHBondContact OG1-OG 3.11Å |
| 58 | G | 93.1 | Very high | 90.4 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F54 A60 I61 M62 | F54-G58 PolarHBondContact O-N 2.85Å; G58-A60 PolarHBondContact O-N 3.26Å; G58-I61 PolarHBondContact O-N 3.32Å; G58-M62 VanDerWaalsContact O-CB 3.31Å; G58-M62 WeakPolarHBondContact O-CB 3.4Å; G58-M62 VanDerWaalsContact O-CG 3.27Å; G58-M62 WeakPolarHBondContact O-CG 3.23Å; G58-M62 PolarHBondContact O-N 2.92Å |
| 59 | S | 92.7 | Very high | 90.2 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 22% | 0.217 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | F55 F56 T57 G63 V112 | F55-S59 VanDerWaalsContact O-CB 3.31Å; F55-S59 WeakPolarHBondContact O-CB 3.46Å; F55-S59 PolarHBondContact O-N 3.43Å; F55-S59 PolarHBondContact O-OG 3.49Å; F56-S59 WeakPolarHBondContact O-CB 3.39Å; F56-S59 PolarHBondContact O-N 3.13Å; T57-S59 VanDerWaalsContact C-N 3.27Å; T57-S59 PolarHBondContact O-N 3.23Å; S59-G63 PolarHBondContact O-N 3.5Å; S59-V112 WeakPolarHBondContact OG-CG2 3.21Å |
| 60 | A | 90.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 39 Ų | 39 | 12% | 0.116 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.2 | -44.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F56 T57 G58 G63 I64 W354 I355 | F56-A60 PolarHBondContact O-N 2.89Å; T57-A60 PolarHBondContact O-N 3.32Å; G58-A60 PolarHBondContact O-N 3.26Å; A60-G63 PolarHBondContact O-N 3.37Å; A60-I64 WeakPolarHBondContact O-CG1 3.14Å; A60-I64 PolarHBondContact O-N 3.21Å; A60-W354 HydrophobicContact CB-CB 3.67Å; A60-I355 HydrophobicContact CB-CG1 3.66Å |
| 61 | I | 92.6 | Very high | 89 | Confident | 75 Ų | 75 | 38.8 Ų | 38.8 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.4 | -50.1 | 177.3 | -67.3 | 170.6 | 0 | 0 | 0 | 110 | T57 G58 G63 I64 L65 I355 | T57-I61 HydrophobicContact CG2-CD1 3.84Å; T57-I61 HydrophobicContact CG2-CG1 4.49Å; T57-I61 WeakPolarHBondContact O-CG1 3.26Å; T57-I61 PolarHBondContact O-N 3.42Å; G58-I61 PolarHBondContact O-N 3.32Å; I61-G63 VanDerWaalsContact C-N 3.34Å; I61-G63 PolarHBondContact O-N 2.91Å; I61-I64 PolarHBondContact O-N 2.91Å; I61-L65 HydrophobicContact CG2-CD1 4.02Å; I61-L65 HydrophobicContact CG2-CG 4.44Å; I61-L65 WeakPolarHBondContact O-CG 3.1Å; I61-L65 PolarHBondContact O-N 3.31Å; I61-I355 HydrophobicContact CG1-CD1 4.01Å; I61-I355 HydrophobicContact CG1-CG1 4.13Å |
| 62 | M | 93 | Very high | 88 | Confident | 55 Ų | 55 | 44.4 Ų | 44.4 | 27% | 0.271 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 178.6 | -71.7 | -56.1 | -61.9 | 0 | 0 | 112 | G58 I64 L65 V66 V112 L113 | G58-M62 VanDerWaalsContact O-CB 3.31Å; G58-M62 WeakPolarHBondContact O-CB 3.4Å; G58-M62 VanDerWaalsContact O-CG 3.27Å; G58-M62 WeakPolarHBondContact O-CG 3.23Å; G58-M62 PolarHBondContact O-N 2.92Å; M62-I64 VanDerWaalsContact C-N 3.33Å; M62-I64 PolarHBondContact O-N 3.11Å; M62-L65 PolarHBondContact O-N 2.88Å; M62-L65 HydrophobicContact SD-CD1 4.16Å; M62-V66 HydrophobicContact CE-CG2 4.46Å; M62-V66 WeakPolarHBondContact O-CB 3.46Å; M62-V66 WeakPolarHBondContact O-CG2 3.37Å; M62-V66 PolarHBondContact O-N 3.49Å; M62-V112 HydrophobicContact CB-CG1 3.59Å; M62-V112 HydrophobicContact CG-CG1 3.8Å; M62-L113 HydrophobicContact CE-CB 4.47Å; M62-L113 HydrophobicContact CE-CD1 3.44Å; M62-L113 VanDerWaalsContact CE-CD1 3.44Å |
| 63 | G | 89.1 | Confident | 87.1 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.8 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S59 A60 I61 S67 S116 | S59-G63 PolarHBondContact O-N 3.5Å; A60-G63 PolarHBondContact O-N 3.37Å; I61-G63 VanDerWaalsContact C-N 3.34Å; I61-G63 PolarHBondContact O-N 2.91Å; G63-S67 WeakPolarHBondContact O-CB 3.45Å; G63-S67 PolarHBondContact O-N 2.88Å; G63-S67 PolarHBondContact O-OG 3.48Å; G63-S116 PolarHBondContact N-OG 3.12Å |
| 64 | I | 86.9 | Confident | 85.9 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -52.5 | 173.4 | -67.7 | 167.2 | 0 | 0 | 0 | 110.4 | A60 I61 M62 V66 S67 Q68 R351 I355 | A60-I64 WeakPolarHBondContact O-CG1 3.14Å; A60-I64 PolarHBondContact O-N 3.21Å; I61-I64 PolarHBondContact O-N 2.91Å; M62-I64 VanDerWaalsContact C-N 3.33Å; M62-I64 PolarHBondContact O-N 3.11Å; I64-V66 PolarHBondContact O-N 3.21Å; I64-S67 PolarHBondContact O-N 3.29Å; I64-S67 PolarHBondContact O-OG 3.05Å; I64-Q68 HydrophobicContact CG2-CG 4.38Å; I64-Q68 WeakPolarHBondContact O-CB 3.45Å; I64-Q68 VanDerWaalsContact O-CG 3.27Å; I64-Q68 WeakPolarHBondContact O-CG 3.33Å; I64-Q68 PolarHBondContact O-N 2.93Å; I64-R351 HydrophobicContact CD1-CB 3.99Å; I64-R351 HydrophobicContact CG1-CB 4.05Å; I64-R351 HydrophobicContact CG1-CG 4.41Å; I64-I355 HydrophobicContact CD1-CD1 3.74Å |
| 65 | L | 89.9 | Confident | 84.5 | Confident | 104 Ų | 104 | 48.6 Ų | 48.6 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.6 | -48.7 | -176.4 | -67.9 | 175.1 | 0 | 0 | 0 | 112.1 | I61 M62 Q68 F69 | I61-L65 HydrophobicContact CG2-CD1 4.02Å; I61-L65 HydrophobicContact CG2-CG 4.44Å; I61-L65 WeakPolarHBondContact O-CG 3.1Å; I61-L65 PolarHBondContact O-N 3.31Å; M62-L65 PolarHBondContact O-N 2.88Å; M62-L65 HydrophobicContact SD-CD1 4.16Å; L65-Q68 PolarHBondContact O-N 3.29Å; L65-F69 WeakPolarHBondContact O-CB 3.44Å; L65-F69 PolarHBondContact O-N 3.02Å |
| 66 | V | 88.8 | Confident | 82.8 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 179.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | M62 I64 Q68 F69 L70 L113 F117 T120 | M62-V66 HydrophobicContact CE-CG2 4.46Å; M62-V66 WeakPolarHBondContact O-CB 3.46Å; M62-V66 WeakPolarHBondContact O-CG2 3.37Å; M62-V66 PolarHBondContact O-N 3.49Å; I64-V66 PolarHBondContact O-N 3.21Å; V66-Q68 VanDerWaalsContact C-N 3.32Å; V66-Q68 PolarHBondContact O-N 3.48Å; V66-F69 PolarHBondContact O-N 2.91Å; V66-L70 HydrophobicContact CG1-CD1 4.15Å; V66-L70 HydrophobicContact CG1-CG 4.44Å; V66-L70 WeakPolarHBondContact O-CB 3.01Å; V66-L70 PolarHBondContact O-N 2.81Å; V66-L113 HydrophobicContact CG2-CD1 4.08Å; V66-F117 HydrophobicContact CG1-CB 4.44Å; V66-F117 HydrophobicContact CG1-CD1 3.69Å; V66-F117 HydrophobicContact CG1-CD2 3.98Å; V66-F117 HydrophobicContact CG1-CE1 3.76Å; V66-F117 HydrophobicContact CG1-CE2 4.06Å; V66-F117 HydrophobicContact CG1-CG 3.77Å; V66-F117 HydrophobicContact CG1-CZ 3.94Å; V66-F117 HydrophobicContact CG2-CD2 4.38Å; V66-F117 HydrophobicContact CG2-CE2 4.09Å; V66-F117 HydrophobicContact CG2-CZ 4.4Å; V66-T120 HydrophobicContact CG1-CG2 4.32Å |
| 67 | S | 82.8 | Confident | 80.9 | Confident | 16 Ų | 16 | 65.7 Ų | 65.7 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 178.2 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | G63 I64 A71 R351 | G63-S67 WeakPolarHBondContact O-CB 3.45Å; G63-S67 PolarHBondContact O-N 2.88Å; G63-S67 PolarHBondContact O-OG 3.48Å; I64-S67 PolarHBondContact O-N 3.29Å; I64-S67 PolarHBondContact O-OG 3.05Å; S67-A71 WeakPolarHBondContact O-CB 3.48Å; S67-A71 PolarHBondContact O-N 2.71Å; S67-R351 PolarHBondContact OG-NH1 3.39Å; S67-R351 PolarHBondContact OG-NH2 3.4Å |
| 68 | Q | 83.1 | Confident | 79.7 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 36% | 0.36 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.5 | -42.3 | 174.8 | -70.3 | -66.8 | -35.3 | 0 | 0 | 111.9 | I64 L65 V66 R72 | I64-Q68 HydrophobicContact CG2-CG 4.38Å; I64-Q68 WeakPolarHBondContact O-CB 3.45Å; I64-Q68 VanDerWaalsContact O-CG 3.27Å; I64-Q68 WeakPolarHBondContact O-CG 3.33Å; I64-Q68 PolarHBondContact O-N 2.93Å; L65-Q68 PolarHBondContact O-N 3.29Å; V66-Q68 VanDerWaalsContact C-N 3.32Å; V66-Q68 PolarHBondContact O-N 3.48Å; Q68-R72 WeakPolarHBondContact O-CG 3.35Å; Q68-R72 PolarHBondContact O-N 2.91Å |
| 69 | F | 84.3 | Confident | 79 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 175.7 | 175.8 | -94.4 | 0 | 0 | 0 | 111.3 | L65 V66 R72 H73 | L65-F69 WeakPolarHBondContact O-CB 3.44Å; L65-F69 PolarHBondContact O-N 3.02Å; V66-F69 PolarHBondContact O-N 2.91Å; F69-R72 PolarHBondContact O-N 2.84Å; F69-H73 AromaticContact CD1-ND1 3.98Å; F69-H73 AromaticContact CD2-CE1 3.58Å; F69-H73 AromaticContact CD2-ND1 3.87Å; F69-H73 AromaticContact CE1-CE1 3.92Å; F69-H73 AromaticContact CE1-ND1 3.82Å; F69-H73 AromaticContact CE2-CE1 3.12Å; F69-H73 WeakPolarHBondContact CE2-CE1 3.32Å; F69-H73 AromaticContact CE2-ND1 3.73Å; F69-H73 AromaticContact CE2-NE2 3.91Å; F69-H73 AromaticContact CG-ND1 4Å; F69-H73 AromaticContact CZ-CE1 3.3Å; F69-H73 WeakPolarHBondContact CZ-CE1 3.49Å; F69-H73 AromaticContact CZ-ND1 3.69Å; F69-H73 AromaticContact CZ-NE2 3.81Å; F69-H73 PolarHBondContact O-N 3.18Å; F69-H73 PolarHBondContact O-ND1 2.95Å |
| 70 | L | 79.8 | Confident | 78.5 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 11% | 0.105 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.3 | -36.4 | -179.6 | -80.4 | -178.6 | 0 | 0 | 0 | 113.4 | V66 R72 H73 S74 F117 T120 | V66-L70 HydrophobicContact CG1-CD1 4.15Å; V66-L70 HydrophobicContact CG1-CG 4.44Å; V66-L70 WeakPolarHBondContact O-CB 3.01Å; V66-L70 PolarHBondContact O-N 2.81Å; L70-R72 VanDerWaalsContact C-N 3.3Å; L70-R72 PolarHBondContact O-N 3.37Å; L70-H73 PolarHBondContact O-N 2.86Å; L70-S74 WeakPolarHBondContact O-CB 3.15Å; L70-S74 PolarHBondContact O-N 2.88Å; L70-F117 HydrophobicContact CD1-CD1 3.68Å; L70-F117 HydrophobicContact CD1-CE1 3.97Å; L70-F117 HydrophobicContact CD2-CD1 4.45Å; L70-F117 HydrophobicContact CD2-CE1 4.08Å; L70-F117 HydrophobicContact CG-CD1 4.21Å; L70-F117 HydrophobicContact CG-CE1 3.98Å; L70-T120 HydrophobicContact CD1-CG2 3.92Å; L70-T120 WeakPolarHBondContact CD1-OG1 3.38Å |
| 71 | A | 71.3 | Confident | 78.4 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.7 | -46.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S67 H73 S74 D75 | S67-A71 WeakPolarHBondContact O-CB 3.48Å; S67-A71 PolarHBondContact O-N 2.71Å; A71-H73 VanDerWaalsContact C-N 3.35Å; A71-H73 PolarHBondContact O-N 3.46Å; A71-S74 PolarHBondContact O-N 2.85Å; A71-D75 WeakPolarHBondContact O-CB 3.29Å; A71-D75 PolarHBondContact O-N 3.13Å; A71-D75 VanDerWaalsContact O-N 3.08Å |
| 72 | R | 72.8 | Confident | 78.2 | Confident | 171 Ų | 171 | 68.2 Ų | 68.2 | 65% | 0.645 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.1 | -34.5 | 178 | -68.6 | 175.4 | -171.6 | 175.2 | 3.4 | 113.7 | Q68 F69 L70 K76 | Q68-R72 WeakPolarHBondContact O-CG 3.35Å; Q68-R72 PolarHBondContact O-N 2.91Å; F69-R72 PolarHBondContact O-N 2.84Å; L70-R72 VanDerWaalsContact C-N 3.3Å; L70-R72 PolarHBondContact O-N 3.37Å; R72-K76 WeakPolarHBondContact O-CG 3.44Å |
| 73 | H | 71.9 | Confident | 77.9 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -80.6 | -38 | 178.9 | -73.2 | 82.1 | 0 | 0 | 0 | 112.4 | F69 L70 A71 D75 K76 | F69-H73 AromaticContact CD1-ND1 3.98Å; F69-H73 AromaticContact CD2-CE1 3.58Å; F69-H73 AromaticContact CD2-ND1 3.87Å; F69-H73 AromaticContact CE1-CE1 3.92Å; F69-H73 AromaticContact CE1-ND1 3.82Å; F69-H73 AromaticContact CE2-CE1 3.12Å; F69-H73 WeakPolarHBondContact CE2-CE1 3.32Å; F69-H73 AromaticContact CE2-ND1 3.73Å; F69-H73 AromaticContact CE2-NE2 3.91Å; F69-H73 AromaticContact CG-ND1 4Å; F69-H73 AromaticContact CZ-CE1 3.3Å; F69-H73 WeakPolarHBondContact CZ-CE1 3.49Å; F69-H73 AromaticContact CZ-ND1 3.69Å; F69-H73 AromaticContact CZ-NE2 3.81Å; F69-H73 PolarHBondContact O-N 3.18Å; F69-H73 PolarHBondContact O-ND1 2.95Å; L70-H73 PolarHBondContact O-N 2.86Å; A71-H73 VanDerWaalsContact C-N 3.35Å; A71-H73 PolarHBondContact O-N 3.46Å; H73-D75 VanDerWaalsContact C-N 3.33Å; H73-D75 PolarHBondContact O-N 3.38Å; H73-K76 PolarHBondContact O-N 3.27Å |
| 74 | S | 67.1 | Low | 77.9 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | L70 A71 K76 R80 L83 Q124 | L70-S74 WeakPolarHBondContact O-CB 3.15Å; L70-S74 PolarHBondContact O-N 2.88Å; A71-S74 PolarHBondContact O-N 2.85Å; S74-K76 VanDerWaalsContact C-N 3.28Å; S74-K76 PolarHBondContact O-N 3.45Å; S74-R80 PolarHBondContact OG-NH1 3.3Å; S74-R80 VanDerWaalsContact OG-NH1 3.14Å; S74-L83 WeakPolarHBondContact OG-CD1 3.43Å; S74-Q124 PolarHBondContact OG-OE1 2.88Å |
| 75 | D | 63.3 | Low | 78.1 | Confident | 102 Ų | 102 | 66.4 Ų | 66.4 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.5 | -21.6 | 178.8 | -75 | -25 | 0 | 0 | 0 | 113.7 | A71 H73 R198 | A71-D75 WeakPolarHBondContact O-CB 3.29Å; A71-D75 PolarHBondContact O-N 3.13Å; A71-D75 VanDerWaalsContact O-N 3.08Å; H73-D75 VanDerWaalsContact C-N 3.33Å; H73-D75 PolarHBondContact O-N 3.38Å; D75-R198 IonicContact OD1-CZ 2.73Å; D75-R198 IonicContact OD1-NH1 2.85Å; D75-R198 PolarHBondContact OD1-NH1 3.26Å |
| 76 | K | 60.6 | Low | 78.3 | Confident | 171 Ų | 171 | 64.7 Ų | 64.7 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -79.8 | -59.1 | -173.5 | -76.7 | -178.6 | 179.6 | -174 | 0 | 112.9 | R72 H73 S74 | R72-K76 WeakPolarHBondContact O-CG 3.44Å; H73-K76 PolarHBondContact O-N 3.27Å; S74-K76 VanDerWaalsContact C-N 3.28Å; S74-K76 PolarHBondContact O-N 3.45Å |
| 77 | Q | 52.6 | Low | 78.4 | Confident | 199 Ų | 199 | 64.6 Ų | 64.6 | 93% | 0.93 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -161.7 | 34.3 | -178.4 | -69.2 | -162.7 | -23.1 | 0 | 0 | 114.4 | ||
| 78 | G | 66 | Low | 79 | Confident | 22 Ų | 22 | 64 Ų | 64 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | trans | -95.4 | 138.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R80 | G78-R80 PolarHBondContact O-N 3.17Š| ||
| 79 | D | 78.8 | Confident | 79.6 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | trans | -67.7 | 112.8 | 158.8 | -179.7 | 0.6 | 0 | 0 | 0 | 109.1 | K81 L82 L83 S195 | D79-K81 PolarHBondContact O-N 2.89Å; D79-K81 VanDerWaalsContact OD1-CB 3.26Å; D79-K81 WeakPolarHBondContact OD1-CB 3.38Å; D79-K81 PolarHBondContact OD1-N 3.03Å; D79-L82 HydrophobicContact CB-CB 4.12Å; D79-L82 WeakPolarHBondContact O-CB 3.36Å; D79-L82 PolarHBondContact O-N 3.2Å; D79-L82 VanDerWaalsContact O-N 3.11Å; D79-L83 PolarHBondContact O-N 3.38Å; D79-L83 VanDerWaalsContact O-N 3.09Å; D79-S195 PolarHBondContact OD1-OG 3.48Å; D79-S195 WeakPolarHBondContact OD2-CB 3.42Å; D79-S195 PolarHBondContact OD2-OG 3.12Å | ||
| 80 | R | 82.9 | Confident | 80.1 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.8 | -34.8 | 178.3 | -68.4 | -166.9 | -172.5 | -69.5 | -2.5 | 112.8 | S74 G78 L82 L83 I84 L128 E131 | S74-R80 PolarHBondContact OG-NH1 3.3Å; S74-R80 VanDerWaalsContact OG-NH1 3.14Å; G78-R80 PolarHBondContact O-N 3.17Å; R80-L82 VanDerWaalsContact C-N 3.32Å; R80-L82 PolarHBondContact O-N 3.37Å; R80-L83 PolarHBondContact O-N 3.27Å; R80-I84 WeakPolarHBondContact O-CD1 3.42Å; R80-I84 VanDerWaalsContact O-CG1 3.28Å; R80-I84 WeakPolarHBondContact O-CG1 3.48Å; R80-I84 PolarHBondContact O-N 2.99Å; R80-L128 HydrophobicContact CB-CB 4.32Å; R80-L128 HydrophobicContact CB-CD1 4.15Å; R80-E131 WeakPolarHBondContact CD-OE2 3.43Å; R80-E131 IonicContact CZ-OE1 3.57Å; R80-E131 VanDerWaalsContact CZ-OE1 3.31Å; R80-E131 IonicContact CZ-OE2 3.89Å; R80-E131 IonicContact NE-OE1 2.91Å; R80-E131 PolarHBondContact NE-OE1 2.67Å; R80-E131 IonicContact NE-OE2 3.92Å; R80-E131 PolarHBondContact NE-OE2 3Å; R80-E131 IonicContact NH2-OE1 3.35Å; R80-E131 PolarHBondContact NH2-OE1 3.19Å |
| 81 | K | 87.9 | Confident | 80.9 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 177.6 | 179.8 | 179.5 | 177.3 | 158.1 | 0 | 110.2 | D79 L83 I84 L85 V189 W190 L193 | D79-K81 PolarHBondContact O-N 2.89Å; D79-K81 VanDerWaalsContact OD1-CB 3.26Å; D79-K81 WeakPolarHBondContact OD1-CB 3.38Å; D79-K81 PolarHBondContact OD1-N 3.03Å; K81-L83 VanDerWaalsContact C-N 3.35Å; K81-L83 PolarHBondContact O-N 3.42Å; K81-I84 PolarHBondContact O-N 3.25Å; K81-L85 HydrophobicContact CG-CD1 4.33Å; K81-L85 WeakPolarHBondContact O-CG 3.31Å; K81-L85 PolarHBondContact O-N 3.05Å; K81-V189 WeakPolarHBondContact CE-O 3.18Å; K81-V189 HydrophobicContact CG-CG1 4.09Å; K81-V189 PolarHBondContact NZ-O 2.98Å; K81-W190 WeakPolarHBondContact CE-O 3.32Å; K81-W190 PolarHBondContact NZ-O 3.45Å; K81-L193 WeakPolarHBondContact CD-O 3.4Å; K81-L193 WeakPolarHBondContact CE-O 3.48Å; K81-L193 PolarHBondContact NZ-O 2.85Å |
| 82 | L | 88.4 | Confident | 82.2 | Confident | 96 Ų | 96 | 61.3 Ų | 61.3 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.1 | -179.5 | 61.9 | 0 | 0 | 0 | 111.5 | D79 R80 I84 L85 L86 | D79-L82 HydrophobicContact CB-CB 4.12Å; D79-L82 WeakPolarHBondContact O-CB 3.36Å; D79-L82 PolarHBondContact O-N 3.2Å; D79-L82 VanDerWaalsContact O-N 3.11Å; R80-L82 VanDerWaalsContact C-N 3.32Å; R80-L82 PolarHBondContact O-N 3.37Å; L82-I84 VanDerWaalsContact C-N 3.35Å; L82-I84 PolarHBondContact O-N 3.41Å; L82-L85 PolarHBondContact O-N 3.21Å; L82-L86 HydrophobicContact CD1-CG 4.46Å; L82-L86 HydrophobicContact CG-CD1 4.35Å; L82-L86 WeakPolarHBondContact O-CG 3.39Å; L82-L86 PolarHBondContact O-N 2.86Å |
| 83 | L | 87.3 | Confident | 83.4 | Confident | 31 Ų | 31 | 57 Ų | 57 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.5 | -68.1 | 174.7 | 0 | 0 | 0 | 112 | S74 D79 R80 K81 L86 C87 | S74-L83 WeakPolarHBondContact OG-CD1 3.43Å; D79-L83 PolarHBondContact O-N 3.38Å; D79-L83 VanDerWaalsContact O-N 3.09Å; R80-L83 PolarHBondContact O-N 3.27Å; K81-L83 VanDerWaalsContact C-N 3.35Å; K81-L83 PolarHBondContact O-N 3.42Å; L83-L86 PolarHBondContact O-N 2.92Å; L83-C87 PolarHBondContact O-N 2.87Å; L83-C87 PolarHBondContact O-SG 3.4Å |
| 84 | I | 88.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.7 | -65.5 | 155.3 | 0 | 0 | 0 | 110.3 | R80 K81 L82 L86 C87 C88 Q124 M125 L128 V189 | R80-I84 WeakPolarHBondContact O-CD1 3.42Å; R80-I84 VanDerWaalsContact O-CG1 3.28Å; R80-I84 WeakPolarHBondContact O-CG1 3.48Å; R80-I84 PolarHBondContact O-N 2.99Å; K81-I84 PolarHBondContact O-N 3.25Å; L82-I84 VanDerWaalsContact C-N 3.35Å; L82-I84 PolarHBondContact O-N 3.41Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 3.4Å; I84-C87 WeakPolarHBondContact O-CB 3.34Å; I84-C87 PolarHBondContact O-N 3.23Å; I84-C87 VanDerWaalsContact O-N 3.12Å; I84-C88 PolarHBondContact O-N 2.93Å; I84-C88 PolarHBondContact O-SG 3.16Å; I84-C88 VanDerWaalsContact O-SG 3.35Å; I84-Q124 HydrophobicContact CG1-CB 3.89Å; I84-M125 HydrophobicContact CD1-CG 4.2Å; I84-M125 HydrophobicContact CD1-SD 3.54Å; I84-M125 VanDerWaalsContact CD1-SD 3.54Å; I84-M125 HydrophobicContact CG1-CG 4.27Å; I84-M125 HydrophobicContact CG1-SD 4.08Å; I84-M125 HydrophobicContact CG2-CG 4.18Å; I84-M125 HydrophobicContact CG2-SD 3.74Å; I84-L128 HydrophobicContact CD1-CB 4.25Å; I84-L128 HydrophobicContact CD1-CD2 3.62Å; I84-V189 HydrophobicContact CB-CG1 4.19Å; I84-V189 HydrophobicContact CG2-CB 4.38Å; I84-V189 HydrophobicContact CG2-CG1 3.85Å; I84-V189 HydrophobicContact CG2-CG2 3.68Å |
| 85 | L | 92.5 | Very high | 86 | Confident | 42 Ų | 42 | 52.1 Ų | 52.1 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 176.2 | -71.5 | 171.2 | 0 | 0 | 0 | 112.3 | K81 L82 C87 C88 L89 G186 V189 W190 | K81-L85 HydrophobicContact CG-CD1 4.33Å; K81-L85 WeakPolarHBondContact O-CG 3.31Å; K81-L85 PolarHBondContact O-N 3.05Å; L82-L85 PolarHBondContact O-N 3.21Å; L85-C87 VanDerWaalsContact C-N 3.34Å; L85-C88 PolarHBondContact O-N 2.78Å; L85-L89 PolarHBondContact O-N 3.47Å; L85-G186 WeakPolarHBondContact CD2-O 3.47Å; L85-V189 HydrophobicContact CD2-CB 3.93Å; L85-V189 HydrophobicContact CD2-CG1 3.8Å; L85-V189 HydrophobicContact CG-CG1 3.86Å; L85-W190 HydrophobicContact CD1-CB 4.49Å; L85-W190 HydrophobicContact CD2-CB 3.96Å |
| 86 | L | 92.4 | Very high | 87.6 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 174.2 | -69.6 | 174 | 0 | 0 | 0 | 111.4 | L82 L83 I84 C88 L89 F90 | L82-L86 HydrophobicContact CD1-CG 4.46Å; L82-L86 HydrophobicContact CG-CD1 4.35Å; L82-L86 WeakPolarHBondContact O-CG 3.39Å; L82-L86 PolarHBondContact O-N 2.86Å; L83-L86 PolarHBondContact O-N 2.92Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 3.4Å; L86-C88 VanDerWaalsContact C-N 3.35Å; L86-C88 PolarHBondContact O-N 3.44Å; L86-L89 WeakPolarHBondContact O-CB 3.23Å; L86-L89 PolarHBondContact O-N 3.34Å; L86-F90 HydrophobicContact CB-CE2 4.32Å; L86-F90 WeakPolarHBondContact O-CD2 3.09Å; L86-F90 WeakPolarHBondContact O-CG 3.34Å; L86-F90 PolarHBondContact O-N 3.38Å |
| 87 | C | 92.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.034 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | L83 I84 L85 F90 G91 F117 A118 T120 A121 | L83-C87 PolarHBondContact O-N 2.87Å; L83-C87 PolarHBondContact O-SG 3.4Å; I84-C87 WeakPolarHBondContact O-CB 3.34Å; I84-C87 PolarHBondContact O-N 3.23Å; I84-C87 VanDerWaalsContact O-N 3.12Å; L85-C87 VanDerWaalsContact C-N 3.34Å; C87-F90 PolarHBondContact O-N 2.9Å; C87-G91 PolarHBondContact O-N 3.35Å; C87-F117 PolarHBondContact SG-O 2.93Å; C87-A118 WeakPolarHBondContact O-CA 3.23Å; C87-T120 PolarHBondContact SG-OG1 2.97Å; C87-A121 HydrophobicContact CB-CB 3.7Å |
| 88 | C | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.02 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.7 | -65.1 | 0 | 0 | 0 | 0 | 111.4 | I84 L85 L86 F90 G91 V92 C185 | I84-C88 PolarHBondContact O-N 2.93Å; I84-C88 PolarHBondContact O-SG 3.16Å; I84-C88 VanDerWaalsContact O-SG 3.35Å; L85-C88 PolarHBondContact O-N 2.78Å; L86-C88 VanDerWaalsContact C-N 3.35Å; L86-C88 PolarHBondContact O-N 3.44Å; C88-F90 PolarHBondContact O-N 2.72Å; C88-G91 WeakPolarHBondContact O-CA 3.38Å; C88-G91 PolarHBondContact O-N 2.78Å; C88-G91 VanDerWaalsContact O-N 3.11Å; C88-V92 WeakPolarHBondContact O-CG2 3.37Å; C88-V92 PolarHBondContact O-N 3.19Å; C88-C185 PolarHBondContact SG-SG 3.24Å |
| 89 | L | 96.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 32.9 Ų | 32.9 | 50% | 0.497 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 175.8 | 178.9 | 64 | 0 | 0 | 0 | 111.5 | L85 L86 G91 V92 L93 | L85-L89 PolarHBondContact O-N 3.47Å; L86-L89 WeakPolarHBondContact O-CB 3.23Å; L86-L89 PolarHBondContact O-N 3.34Å; L89-G91 VanDerWaalsContact C-N 3.26Å; L89-G91 PolarHBondContact O-N 3.49Å; L89-V92 PolarHBondContact O-N 2.9Å; L89-L93 HydrophobicContact CG-CD1 4.39Å; L89-L93 WeakPolarHBondContact O-CG 3.26Å; L89-L93 PolarHBondContact O-N 3.28Å |
| 90 | F | 96 | Very high | 93.8 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 25% | 0.254 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.8 | -34.6 | 174.5 | -70.2 | -55.2 | 0 | 0 | 0 | 112.1 | L86 C87 C88 L93 A94 L114 F117 | L86-F90 HydrophobicContact CB-CE2 4.32Å; L86-F90 WeakPolarHBondContact O-CD2 3.09Å; L86-F90 WeakPolarHBondContact O-CG 3.34Å; L86-F90 PolarHBondContact O-N 3.38Å; C87-F90 PolarHBondContact O-N 2.9Å; C88-F90 PolarHBondContact O-N 2.72Å; F90-L93 HydrophobicContact CD1-CD1 4.31Å; F90-L93 PolarHBondContact O-N 2.7Å; F90-A94 WeakPolarHBondContact O-CB 3.29Å; F90-A94 PolarHBondContact O-N 3.1Å; F90-L114 HydrophobicContact CD1-CD2 3.53Å; F90-L114 HydrophobicContact CE1-CD2 4.2Å; F90-L114 HydrophobicContact CG-CD2 4.44Å; F90-F117 HydrophobicContact CB-CB 3.81Å; F90-F117 HydrophobicContact CD2-CB 3.6Å; F90-F117 HydrophobicContact CD2-CD1 4.11Å; F90-F117 AromaticContact CD2-CG 3.92Å; F90-F117 HydrophobicContact CD2-CG 3.92Å; F90-F117 HydrophobicContact CE2-CB 4.34Å; F90-F117 HydrophobicContact CE2-CD1 4.05Å; F90-F117 HydrophobicContact CE2-CG 4.16Å; F90-F117 HydrophobicContact CG-CB 3.81Å; F90-F117 HydrophobicContact CG-CG 4.33Å |
| 91 | G | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C87 C88 L89 A94 C95 A118 | C87-G91 PolarHBondContact O-N 3.35Å; C88-G91 WeakPolarHBondContact O-CA 3.38Å; C88-G91 PolarHBondContact O-N 2.78Å; C88-G91 VanDerWaalsContact O-N 3.11Å; L89-G91 VanDerWaalsContact C-N 3.26Å; L89-G91 PolarHBondContact O-N 3.49Å; G91-A94 PolarHBondContact O-N 2.79Å; G91-C95 WeakPolarHBondContact O-CB 3.43Å; G91-C95 PolarHBondContact O-N 3.39Å; G91-C95 PolarHBondContact O-SG 3.42Å; G91-A118 VanDerWaalsContact CA-CB 3.43Å |
| 92 | V | 97.6 | Very high | 94.8 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 174.7 | 176.6 | 0 | 0 | 0 | 0 | 111 | C88 L89 C95 T96 F182 V183 | C88-V92 WeakPolarHBondContact O-CG2 3.37Å; C88-V92 PolarHBondContact O-N 3.19Å; L89-V92 PolarHBondContact O-N 2.9Å; V92-C95 PolarHBondContact O-N 3.32Å; V92-T96 WeakPolarHBondContact O-CB 3.34Å; V92-T96 PolarHBondContact O-N 2.96Å; V92-T96 PolarHBondContact O-OG1 3.12Å; V92-F182 HydrophobicContact CG2-CB 3.65Å; V92-V183 HydrophobicContact CG1-CG2 4.26Å; V92-V183 HydrophobicContact CG2-CG2 3.6Å |
| 93 | L | 97.7 | Very high | 95.2 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 42% | 0.424 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.2 | -43 | 178.1 | -69.2 | 174 | 0 | 0 | 0 | 111.5 | L89 F90 L97 L114 | L89-L93 HydrophobicContact CG-CD1 4.39Å; L89-L93 WeakPolarHBondContact O-CG 3.26Å; L89-L93 PolarHBondContact O-N 3.28Å; F90-L93 HydrophobicContact CD1-CD1 4.31Å; F90-L93 PolarHBondContact O-N 2.7Å; L93-L97 VanDerWaalsContact O-CB 3.29Å; L93-L97 WeakPolarHBondContact O-CB 3.37Å; L93-L97 PolarHBondContact O-N 3.11Å; L93-L114 HydrophobicContact CB-CD1 4.05Å; L93-L114 HydrophobicContact CB-CD2 4.31Å; L93-L114 HydrophobicContact CD1-CD2 4.47Å |
| 94 | A | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -55.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F90 G91 T96 L97 F98 L114 S115 | F90-A94 WeakPolarHBondContact O-CB 3.29Å; F90-A94 PolarHBondContact O-N 3.1Å; G91-A94 PolarHBondContact O-N 2.79Å; A94-T96 VanDerWaalsContact C-N 3.28Å; A94-T96 PolarHBondContact O-N 3.29Å; A94-L97 WeakPolarHBondContact O-CA 3.39Å; A94-L97 WeakPolarHBondContact O-CB 3.27Å; A94-L97 PolarHBondContact O-N 3.18Å; A94-F98 VanDerWaalsContact O-CD2 3.31Å; A94-F98 WeakPolarHBondContact O-CD2 3.4Å; A94-F98 PolarHBondContact O-N 3.49Å; A94-L114 HydrophobicContact CB-CB 3.7Å; A94-S115 WeakPolarHBondContact CB-OG 2.97Å |
| 95 | C | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -40.6 | -177.3 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | Q33 G91 V92 F98 A99 Y175 A179 | Q33-C95 PolarHBondContact NE2-SG 3.16Å; Q33-C95 VanDerWaalsContact NE2-SG 3.43Å; G91-C95 WeakPolarHBondContact O-CB 3.43Å; G91-C95 PolarHBondContact O-N 3.39Å; G91-C95 PolarHBondContact O-SG 3.42Å; V92-C95 PolarHBondContact O-N 3.32Å; C95-F98 PolarHBondContact O-N 2.86Å; C95-A99 WeakPolarHBondContact O-CB 3.44Å; C95-A99 PolarHBondContact O-N 3.21Å; C95-Y175 WeakPolarHBondContact CB-O 3.41Å; C95-A179 HydrophobicContact CB-CB 3.66Å |
| 96 | T | 97.4 | Very high | 96.1 | Very high | 51 Ų | 51 | 48 Ų | 48 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 174.4 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | V92 A94 F98 A99 W100 | V92-T96 WeakPolarHBondContact O-CB 3.34Å; V92-T96 PolarHBondContact O-N 2.96Å; V92-T96 PolarHBondContact O-OG1 3.12Å; A94-T96 VanDerWaalsContact C-N 3.28Å; A94-T96 PolarHBondContact O-N 3.29Å; T96-F98 PolarHBondContact O-N 3.35Å; T96-A99 WeakPolarHBondContact O-CB 3.12Å; T96-A99 PolarHBondContact O-N 3.13Å; T96-W100 HydrophobicContact CG2-CE3 3.67Å; T96-W100 HydrophobicContact CG2-CZ3 3.48Å; T96-W100 VanDerWaalsContact CG2-CZ3 3.48Å; T96-W100 VanDerWaalsContact O-CE3 3.23Å; T96-W100 PolarHBondContact O-N 2.73Å |
| 97 | L | 97.3 | Very high | 96.4 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 18% | 0.183 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.6 | -177.2 | 66.1 | 0 | 0 | 0 | 111.9 | L93 A94 A99 W100 N101 I106 L107 T110 L114 | L93-L97 VanDerWaalsContact O-CB 3.29Å; L93-L97 WeakPolarHBondContact O-CB 3.37Å; L93-L97 PolarHBondContact O-N 3.11Å; A94-L97 WeakPolarHBondContact O-CA 3.39Å; A94-L97 WeakPolarHBondContact O-CB 3.27Å; A94-L97 PolarHBondContact O-N 3.18Å; L97-A99 VanDerWaalsContact C-N 3.34Å; L97-A99 PolarHBondContact O-N 2.79Å; L97-W100 PolarHBondContact O-N 3.42Å; L97-N101 HydrophobicContact CD1-CB 3.78Å; L97-N101 HydrophobicContact CG-CB 4.32Å; L97-N101 WeakPolarHBondContact O-CA 3.31Å; L97-N101 WeakPolarHBondContact O-CB 3.44Å; L97-N101 PolarHBondContact O-N 3.03Å; L97-I106 HydrophobicContact CD1-CG2 4.09Å; L97-I106 HydrophobicContact CD2-CG2 4.31Å; L97-L107 HydrophobicContact CD2-CD2 4.33Å; L97-L107 HydrophobicContact CG-CD2 3.91Å; L97-T110 HydrophobicContact CD2-CG2 3.78Å; L97-L114 HydrophobicContact CD2-CD1 4.22Å |
| 98 | F | 97 | Very high | 96.5 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.9 | -33.6 | 176 | -84.7 | -92.5 | 0 | 0 | 0 | 112.8 | L37 F40 F55 A94 C95 T96 W100 R102 L107 Y175 | L37-F98 HydrophobicContact CD1-CD1 4.48Å; L37-F98 HydrophobicContact CD1-CE1 3.8Å; F40-F98 HydrophobicContact CD1-CD1 4.33Å; F40-F98 AromaticContact CE1-CD1 3.78Å; F40-F98 HydrophobicContact CE1-CD1 3.78Å; F40-F98 HydrophobicContact CE1-CE1 4.35Å; F40-F98 HydrophobicContact CZ-CD1 4.43Å; F55-F98 HydrophobicContact CE1-CE1 4.3Å; F55-F98 HydrophobicContact CE1-CZ 4.07Å; F55-F98 AromaticContact CZ-CE1 3.87Å; F55-F98 HydrophobicContact CZ-CE1 3.87Å; F55-F98 AromaticContact CZ-CZ 3.7Å; F55-F98 HydrophobicContact CZ-CZ 3.7Å; A94-F98 VanDerWaalsContact O-CD2 3.31Å; A94-F98 WeakPolarHBondContact O-CD2 3.4Å; A94-F98 PolarHBondContact O-N 3.49Å; C95-F98 PolarHBondContact O-N 2.86Å; T96-F98 PolarHBondContact O-N 3.35Å; F98-W100 PolarHBondContact O-N 3.38Å; F98-R102 PolarHBondContact O-NH1 2.82Å; F98-L107 HydrophobicContact CD1-CD1 3.94Å; F98-L107 HydrophobicContact CD1-CD2 4.2Å; F98-L107 HydrophobicContact CD2-CD2 4.36Å; F98-L107 HydrophobicContact CE1-CB 4.27Å; F98-L107 HydrophobicContact CE1-CD1 4.07Å; F98-L107 HydrophobicContact CE1-CD2 4.43Å; F98-L107 HydrophobicContact CG-CD2 4.17Å; F98-L107 HydrophobicContact CZ-CB 4.38Å; F98-Y175 HydrophobicContact CB-CD1 3.6Å; F98-Y175 HydrophobicContact CB-CD2 3.94Å; F98-Y175 HydrophobicContact CB-CE1 3.52Å; F98-Y175 HydrophobicContact CB-CE2 3.88Å; F98-Y175 HydrophobicContact CB-CG 3.83Å; F98-Y175 HydrophobicContact CD1-CE1 4Å; F98-Y175 HydrophobicContact CD1-CE2 4.34Å; F98-Y175 AromaticContact CD1-CZ 3.7Å; F98-Y175 WeakPolarHBondContact CD1-OH 3.35Å; F98-Y175 HydrophobicContact CG-CD1 4.37Å; F98-Y175 AromaticContact CG-CE1 3.85Å; F98-Y175 HydrophobicContact CG-CE1 3.85Å; F98-Y175 AromaticContact CG-CZ 3.96Å |
| 99 | A | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | C95 T96 L97 R102 K172 L176 | C95-A99 WeakPolarHBondContact O-CB 3.44Å; C95-A99 PolarHBondContact O-N 3.21Å; T96-A99 WeakPolarHBondContact O-CB 3.12Å; T96-A99 PolarHBondContact O-N 3.13Å; L97-A99 VanDerWaalsContact C-N 3.34Å; L97-A99 PolarHBondContact O-N 2.79Å; A99-R102 PolarHBondContact O-NH1 2.93Å; A99-R102 PolarHBondContact O-NH2 3.27Å; A99-K172 WeakPolarHBondContact O-CG 3.43Å; A99-L176 HydrophobicContact CB-CD2 4.39Å; A99-L176 HydrophobicContact CB-CG 4.28Å |
| 100 | W | 96.6 | Very high | 96.6 | Very high | 167 Ų | 167 | 48.1 Ų | 48.1 | 63% | 0.633 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -106.5 | -26.8 | -172.9 | -76.7 | -76.3 | 0 | 0 | 0 | 115.9 | T96 L97 F98 L176 | T96-W100 HydrophobicContact CG2-CE3 3.67Å; T96-W100 HydrophobicContact CG2-CZ3 3.48Å; T96-W100 VanDerWaalsContact CG2-CZ3 3.48Å; T96-W100 VanDerWaalsContact O-CE3 3.23Å; T96-W100 PolarHBondContact O-N 2.73Å; L97-W100 PolarHBondContact O-N 3.42Å; F98-W100 PolarHBondContact O-N 3.38Å; W100-L176 HydrophobicContact CH2-CD1 4.5Å; W100-L176 HydrophobicContact CH2-CD2 3.54Å; W100-L176 HydrophobicContact CZ2-CD2 4.35Å; W100-L176 HydrophobicContact CZ3-CD2 3.77Å |
| 101 | N | 96.1 | Very high | 96.7 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | trans | -90.8 | 141.7 | -176.5 | -154 | -60.7 | 0 | 0 | 0 | 110.9 | L97 N103 L107 | L97-N101 HydrophobicContact CD1-CB 3.78Å; L97-N101 HydrophobicContact CG-CB 4.32Å; L97-N101 WeakPolarHBondContact O-CA 3.31Å; L97-N101 WeakPolarHBondContact O-CB 3.44Å; L97-N101 PolarHBondContact O-N 3.03Å; N101-N103 VanDerWaalsContact OD1-CB 3.3Å; N101-N103 WeakPolarHBondContact OD1-CB 3.35Å; N101-N103 PolarHBondContact OD1-N 3.45Å; N101-L107 HydrophobicContact CB-CD2 4.07Å | ||
| 102 | R | 96.1 | Very high | 96.6 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 23% | 0.234 | 23% | 0.227 | C | C | . | . | trans | -126.4 | 11.8 | 178.7 | -61.9 | -65.1 | -176.6 | -92.1 | 6.4 | 112.3 | E44 L45 F98 A99 Y104 | E44-R102 VanDerWaalsContact CD-NE 3.3Å; E44-R102 IonicContact OE1-CZ 3.54Å; E44-R102 IonicContact OE1-NE 3.66Å; E44-R102 IonicContact OE1-NH2 3.44Å; E44-R102 PolarHBondContact OE1-NH2 3.08Å; E44-R102 IonicContact OE2-CZ 3.94Å; E44-R102 IonicContact OE2-NE 2.76Å; E44-R102 PolarHBondContact OE2-NE 3.42Å; E44-R102 IonicContact OE2-NH2 2.9Å; E44-R102 PolarHBondContact OE2-NH2 3.27Å; L45-R102 WeakPolarHBondContact CG-O 3.31Å; F98-R102 PolarHBondContact O-NH1 2.82Å; A99-R102 PolarHBondContact O-NH1 2.93Å; A99-R102 PolarHBondContact O-NH2 3.27Å; R102-Y104 PolarHBondContact O-N 2.99Å | ||
| 103 | N | 96.3 | Very high | 96.6 | Very high | 74 Ų | 74 | 47.1 Ų | 47.1 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | trans | -85.9 | 115.3 | 174.2 | -174.3 | -61.1 | 0 | 0 | 0 | 109.5 | N101 F105 I106 L107 | N101-N103 VanDerWaalsContact OD1-CB 3.3Å; N101-N103 WeakPolarHBondContact OD1-CB 3.35Å; N101-N103 PolarHBondContact OD1-N 3.45Å; N103-F105 VanDerWaalsContact C-N 3.31Å; N103-F105 PolarHBondContact O-N 2.66Å; N103-F105 PolarHBondContact OD1-N 2.86Å; N103-I106 HydrophobicContact CB-CB 4.09Å; N103-I106 HydrophobicContact CB-CD1 3.82Å; N103-I106 HydrophobicContact CB-CG1 3.92Å; N103-I106 PolarHBondContact O-N 3.27Å; N103-I106 PolarHBondContact OD1-N 3.12Å; N103-L107 WeakPolarHBondContact O-CG 3.19Å; N103-L107 PolarHBondContact O-N 3.35Å | ||
| 104 | Y | 96.2 | Very high | 96.5 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -50.2 | -47.5 | 179.6 | 177.6 | -93.3 | 0 | 0 | 0 | 113.3 | L45 A47 M51 F55 R102 I106 L107 L108 | L45-Y104 VanDerWaalsContact CD2-CA 3.48Å; L45-Y104 HydrophobicContact CD2-CD2 4.2Å; A47-Y104 HydrophobicContact CB-CD2 4.38Å; M51-Y104 HydrophobicContact CB-CD2 4.45Å; M51-Y104 HydrophobicContact CB-CE2 3.71Å; M51-Y104 HydrophobicContact CE-CD1 3.5Å; M51-Y104 VanDerWaalsContact CE-CD1 3.5Å; M51-Y104 HydrophobicContact CE-CD2 3.67Å; M51-Y104 HydrophobicContact CE-CE1 3.77Å; M51-Y104 HydrophobicContact CE-CE2 3.93Å; M51-Y104 HydrophobicContact CE-CG 3.44Å; M51-Y104 VanDerWaalsContact CE-CG 3.44Å; M51-Y104 WeakPolarHBondContact O-CE2 3.5Å; M51-Y104 PolarHBondContact O-OH 3.13Å; F55-Y104 HydrophobicContact CB-CE2 4.4Å; F55-Y104 HydrophobicContact CD2-CD2 4.27Å; F55-Y104 AromaticContact CD2-CE2 3.74Å; F55-Y104 HydrophobicContact CD2-CE2 3.74Å; R102-Y104 PolarHBondContact O-N 2.99Å; Y104-I106 PolarHBondContact O-N 2.85Å; Y104-L107 PolarHBondContact O-N 3.02Å; Y104-L108 HydrophobicContact CE1-CB 4.39Å; Y104-L108 HydrophobicContact CE1-CD2 3.66Å; Y104-L108 VanDerWaalsContact O-CB 3.26Å; Y104-L108 WeakPolarHBondContact O-CB 3.45Å; Y104-L108 PolarHBondContact O-N 3.01Å |
| 105 | F | 96 | Very high | 96.3 | Very high | 142 Ų | 142 | 46 Ų | 46 | 62% | 0.623 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -70.7 | -33.5 | -176.2 | -61.3 | -69.5 | 0 | 0 | 0 | 112.7 | N103 S109 | N103-F105 VanDerWaalsContact C-N 3.31Å; N103-F105 PolarHBondContact O-N 2.66Å; N103-F105 PolarHBondContact OD1-N 2.86Å; F105-S109 VanDerWaalsContact O-CB 3.29Å; F105-S109 WeakPolarHBondContact O-CB 3.47Å; F105-S109 PolarHBondContact O-N 3.41Å; F105-S109 PolarHBondContact O-OG 3.09Å |
| 106 | I | 96.7 | Very high | 96.1 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 33% | 0.328 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.2 | -43.5 | 174.7 | -63.1 | 179.1 | 0 | 0 | 0 | 110.1 | L97 N103 Y104 S109 T110 G111 | L97-I106 HydrophobicContact CD1-CG2 4.09Å; L97-I106 HydrophobicContact CD2-CG2 4.31Å; N103-I106 HydrophobicContact CB-CB 4.09Å; N103-I106 HydrophobicContact CB-CD1 3.82Å; N103-I106 HydrophobicContact CB-CG1 3.92Å; N103-I106 PolarHBondContact O-N 3.27Å; N103-I106 PolarHBondContact OD1-N 3.12Å; Y104-I106 PolarHBondContact O-N 2.85Å; I106-S109 PolarHBondContact O-OG 2.98Å; I106-T110 WeakPolarHBondContact O-CA 3.22Å; I106-T110 WeakPolarHBondContact O-CB 3.45Å; I106-T110 PolarHBondContact O-N 3.09Å; I106-G111 PolarHBondContact O-N 3.45Å; I106-G111 VanDerWaalsContact O-N 3.15Å |
| 107 | L | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -67.5 | -41.3 | 177.3 | -64 | -170.8 | 0 | 0 | 0 | 111.8 | F40 L45 F55 L97 F98 N101 N103 Y104 S109 G111 V112 | F40-L107 HydrophobicContact CE1-CD1 3.62Å; F40-L107 HydrophobicContact CZ-CD1 4.06Å; L45-L107 HydrophobicContact CD1-CD1 4.13Å; L45-L107 HydrophobicContact CD2-CD1 3.81Å; F55-L107 HydrophobicContact CE2-CB 3.85Å; F55-L107 HydrophobicContact CZ-CB 3.98Å; L97-L107 HydrophobicContact CD2-CD2 4.33Å; L97-L107 HydrophobicContact CG-CD2 3.91Å; F98-L107 HydrophobicContact CD1-CD1 3.94Å; F98-L107 HydrophobicContact CD1-CD2 4.2Å; F98-L107 HydrophobicContact CD2-CD2 4.36Å; F98-L107 HydrophobicContact CE1-CB 4.27Å; F98-L107 HydrophobicContact CE1-CD1 4.07Å; F98-L107 HydrophobicContact CE1-CD2 4.43Å; F98-L107 HydrophobicContact CG-CD2 4.17Å; F98-L107 HydrophobicContact CZ-CB 4.38Å; N101-L107 HydrophobicContact CB-CD2 4.07Å; N103-L107 WeakPolarHBondContact O-CG 3.19Å; N103-L107 PolarHBondContact O-N 3.35Å; Y104-L107 PolarHBondContact O-N 3.02Å; L107-S109 PolarHBondContact O-N 3.13Å; L107-G111 CarbonylContact O-C 3.39Å; L107-G111 WeakPolarHBondContact O-CA 3.3Å; L107-G111 PolarHBondContact O-N 3.2Å; L107-G111 VanDerWaalsContact O-N 3.08Å; L107-V112 PolarHBondContact O-N 3.2Å |
| 108 | L | 96 | Very high | 95.6 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -66.5 | -35.2 | 178.2 | 179.6 | 59.8 | 0 | 0 | 0 | 112.8 | F55 Y104 V112 | F55-L108 HydrophobicContact CB-CD1 4.44Å; F55-L108 HydrophobicContact CD2-CB 4.04Å; F55-L108 HydrophobicContact CD2-CD1 3.92Å; F55-L108 HydrophobicContact CE2-CB 3.91Å; F55-L108 HydrophobicContact CE2-CD1 4.37Å; F55-L108 HydrophobicContact CG-CD1 4.15Å; Y104-L108 HydrophobicContact CE1-CB 4.39Å; Y104-L108 HydrophobicContact CE1-CD2 3.66Å; Y104-L108 VanDerWaalsContact O-CB 3.26Å; Y104-L108 WeakPolarHBondContact O-CB 3.45Å; Y104-L108 PolarHBondContact O-N 3.01Å; L108-V112 HydrophobicContact CD1-CG2 4.28Å; L108-V112 WeakPolarHBondContact O-CB 3.17Å; L108-V112 WeakPolarHBondContact O-CG2 3.06Å |
| 109 | S | 95.9 | Very high | 95.1 | Very high | 69 Ų | 69 | 47 Ų | 47 | 48% | 0.483 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -88.1 | -68 | 179.4 | 57.4 | 0 | 0 | 0 | 0 | 111.2 | F105 I106 L107 L113 | F105-S109 VanDerWaalsContact O-CB 3.29Å; F105-S109 WeakPolarHBondContact O-CB 3.47Å; F105-S109 PolarHBondContact O-N 3.41Å; F105-S109 PolarHBondContact O-OG 3.09Å; I106-S109 PolarHBondContact O-OG 2.98Å; L107-S109 PolarHBondContact O-N 3.13Å; S109-L113 WeakPolarHBondContact O-CB 3.35Å; S109-L113 PolarHBondContact O-N 3.2Å; S109-L113 VanDerWaalsContact O-N 3.12Å |
| 110 | T | 96.6 | Very high | 94.5 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -76.7 | -45.7 | -172.8 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | L97 I106 L113 L114 | L97-T110 HydrophobicContact CD2-CG2 3.78Å; I106-T110 WeakPolarHBondContact O-CA 3.22Å; I106-T110 WeakPolarHBondContact O-CB 3.45Å; I106-T110 PolarHBondContact O-N 3.09Å; T110-L113 PolarHBondContact O-N 3.22Å; T110-L114 HydrophobicContact CG2-CD1 3.88Å; T110-L114 HydrophobicContact CG2-CG 4.34Å; T110-L114 WeakPolarHBondContact O-CB 3.08Å; T110-L114 WeakPolarHBondContact O-CG 3.46Å; T110-L114 PolarHBondContact O-N 3.49Å |
| 111 | G | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -60.1 | -51.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I106 L107 L113 L114 S115 | I106-G111 PolarHBondContact O-N 3.45Å; I106-G111 VanDerWaalsContact O-N 3.15Å; L107-G111 CarbonylContact O-C 3.39Å; L107-G111 WeakPolarHBondContact O-CA 3.3Å; L107-G111 PolarHBondContact O-N 3.2Å; L107-G111 VanDerWaalsContact O-N 3.08Å; G111-L113 PolarHBondContact O-N 3.12Å; G111-L114 PolarHBondContact O-N 2.89Å; G111-S115 WeakPolarHBondContact O-CB 3.49Å; G111-S115 PolarHBondContact O-N 3.32Å; G111-S115 PolarHBondContact O-OG 3.25Å; G111-S115 VanDerWaalsContact O-OG 3.09Å |
| 112 | V | 95.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 176.5 | 167.3 | 0 | 0 | 0 | 0 | 112.3 | F55 S59 M62 L107 L108 S115 S116 | F55-V112 HydrophobicContact CD1-CG2 4.25Å; F55-V112 HydrophobicContact CE1-CG2 3.62Å; F55-V112 HydrophobicContact CZ-CG2 3.78Å; S59-V112 WeakPolarHBondContact OG-CG2 3.21Å; M62-V112 HydrophobicContact CB-CG1 3.59Å; M62-V112 HydrophobicContact CG-CG1 3.8Å; L107-V112 PolarHBondContact O-N 3.2Å; L108-V112 HydrophobicContact CD1-CG2 4.28Å; L108-V112 WeakPolarHBondContact O-CB 3.17Å; L108-V112 WeakPolarHBondContact O-CG2 3.06Å; V112-S115 PolarHBondContact O-N 2.91Å; V112-S116 VanDerWaalsContact O-CB 3.23Å; V112-S116 WeakPolarHBondContact O-CB 3.39Å; V112-S116 PolarHBondContact O-N 3.25Å; V112-S116 PolarHBondContact O-OG 3.11Å |
| 113 | L | 96 | Very high | 92.5 | Very high | 66 Ų | 66 | 39.6 Ų | 39.6 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.8 | -50.9 | 176.9 | 179.8 | 68.4 | 0 | 0 | 0 | 110.5 | M62 V66 S109 T110 G111 S116 F117 | M62-L113 HydrophobicContact CE-CB 4.47Å; M62-L113 HydrophobicContact CE-CD1 3.44Å; M62-L113 VanDerWaalsContact CE-CD1 3.44Å; V66-L113 HydrophobicContact CG2-CD1 4.08Å; S109-L113 WeakPolarHBondContact O-CB 3.35Å; S109-L113 PolarHBondContact O-N 3.2Å; S109-L113 VanDerWaalsContact O-N 3.12Å; T110-L113 PolarHBondContact O-N 3.22Å; G111-L113 PolarHBondContact O-N 3.12Å; L113-S116 WeakPolarHBondContact O-CB 3.2Å; L113-S116 PolarHBondContact O-N 2.93Å; L113-F117 HydrophobicContact CD1-CD2 4.31Å; L113-F117 HydrophobicContact CD1-CE2 3.82Å; L113-F117 HydrophobicContact CG-CD2 4.33Å; L113-F117 HydrophobicContact CG-CE2 4.14Å; L113-F117 VanDerWaalsContact O-CD2 3.26Å; L113-F117 WeakPolarHBondContact O-CD2 3.29Å; L113-F117 PolarHBondContact O-N 3.35Å; L113-F117 VanDerWaalsContact O-N 3.11Å |
| 114 | L | 96 | Very high | 91.9 | Very high | 25 Ų | 25 | 37 Ų | 37 | 13% | 0.131 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 179 | -65.7 | 170.9 | 0 | 0 | 0 | 111.8 | F90 L93 A94 L97 T110 G111 S116 F117 A118 | F90-L114 HydrophobicContact CD1-CD2 3.53Å; F90-L114 HydrophobicContact CE1-CD2 4.2Å; F90-L114 HydrophobicContact CG-CD2 4.44Å; L93-L114 HydrophobicContact CB-CD1 4.05Å; L93-L114 HydrophobicContact CB-CD2 4.31Å; L93-L114 HydrophobicContact CD1-CD2 4.47Å; A94-L114 HydrophobicContact CB-CB 3.7Å; L97-L114 HydrophobicContact CD2-CD1 4.22Å; T110-L114 HydrophobicContact CG2-CD1 3.88Å; T110-L114 HydrophobicContact CG2-CG 4.34Å; T110-L114 WeakPolarHBondContact O-CB 3.08Å; T110-L114 WeakPolarHBondContact O-CG 3.46Å; T110-L114 PolarHBondContact O-N 3.49Å; G111-L114 PolarHBondContact O-N 2.89Å; L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 3.36Å; L114-F117 WeakPolarHBondContact O-CB 3.29Å; L114-F117 PolarHBondContact O-N 3.49Å; L114-A118 PolarHBondContact O-N 3.45Å |
| 115 | S | 93.9 | Very high | 91.3 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -35 | 176.1 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | A94 G111 V112 A118 S119 | A94-S115 WeakPolarHBondContact CB-OG 2.97Å; G111-S115 WeakPolarHBondContact O-CB 3.49Å; G111-S115 PolarHBondContact O-N 3.32Å; G111-S115 PolarHBondContact O-OG 3.25Å; G111-S115 VanDerWaalsContact O-OG 3.09Å; V112-S115 PolarHBondContact O-N 2.91Å; S115-A118 WeakPolarHBondContact O-CB 3Å; S115-A118 PolarHBondContact O-N 3.23Å; S115-S119 WeakPolarHBondContact O-CB 3.45Å; S115-S119 PolarHBondContact O-N 3.42Å |
| 116 | S | 92.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.7 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | G63 V112 L113 L114 S119 T120 | G63-S116 PolarHBondContact N-OG 3.12Å; V112-S116 VanDerWaalsContact O-CB 3.23Å; V112-S116 WeakPolarHBondContact O-CB 3.39Å; V112-S116 PolarHBondContact O-N 3.25Å; V112-S116 PolarHBondContact O-OG 3.11Å; L113-S116 WeakPolarHBondContact O-CB 3.2Å; L113-S116 PolarHBondContact O-N 2.93Å; L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 3.36Å; S116-S119 PolarHBondContact O-N 3.24Å; S116-S119 PolarHBondContact O-OG 3.23Å; S116-T120 WeakPolarHBondContact O-CG2 3.41Å |
| 117 | F | 91.9 | Very high | 89.7 | Confident | 36 Ų | 36 | 29.9 Ų | 29.9 | 16% | 0.158 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 171.9 | -82.7 | -79.7 | 0 | 0 | 0 | 111.6 | V66 L70 C87 F90 L113 L114 S119 T120 | V66-F117 HydrophobicContact CG1-CB 4.44Å; V66-F117 HydrophobicContact CG1-CD1 3.69Å; V66-F117 HydrophobicContact CG1-CD2 3.98Å; V66-F117 HydrophobicContact CG1-CE1 3.76Å; V66-F117 HydrophobicContact CG1-CE2 4.06Å; V66-F117 HydrophobicContact CG1-CG 3.77Å; V66-F117 HydrophobicContact CG1-CZ 3.94Å; V66-F117 HydrophobicContact CG2-CD2 4.38Å; V66-F117 HydrophobicContact CG2-CE2 4.09Å; V66-F117 HydrophobicContact CG2-CZ 4.4Å; L70-F117 HydrophobicContact CD1-CD1 3.68Å; L70-F117 HydrophobicContact CD1-CE1 3.97Å; L70-F117 HydrophobicContact CD2-CD1 4.45Å; L70-F117 HydrophobicContact CD2-CE1 4.08Å; L70-F117 HydrophobicContact CG-CD1 4.21Å; L70-F117 HydrophobicContact CG-CE1 3.98Å; C87-F117 PolarHBondContact SG-O 2.93Å; F90-F117 HydrophobicContact CB-CB 3.81Å; F90-F117 HydrophobicContact CD2-CB 3.6Å; F90-F117 HydrophobicContact CD2-CD1 4.11Å; F90-F117 AromaticContact CD2-CG 3.92Å; F90-F117 HydrophobicContact CD2-CG 3.92Å; F90-F117 HydrophobicContact CE2-CB 4.34Å; F90-F117 HydrophobicContact CE2-CD1 4.05Å; F90-F117 HydrophobicContact CE2-CG 4.16Å; F90-F117 HydrophobicContact CG-CB 3.81Å; F90-F117 HydrophobicContact CG-CG 4.33Å; L113-F117 HydrophobicContact CD1-CD2 4.31Å; L113-F117 HydrophobicContact CD1-CE2 3.82Å; L113-F117 HydrophobicContact CG-CD2 4.33Å; L113-F117 HydrophobicContact CG-CE2 4.14Å; L113-F117 VanDerWaalsContact O-CD2 3.26Å; L113-F117 WeakPolarHBondContact O-CD2 3.29Å; L113-F117 PolarHBondContact O-N 3.35Å; L113-F117 VanDerWaalsContact O-N 3.11Å; L114-F117 WeakPolarHBondContact O-CB 3.29Å; L114-F117 PolarHBondContact O-N 3.49Å; F117-S119 VanDerWaalsContact C-N 3.32Å; F117-S119 PolarHBondContact O-N 2.98Å; F117-T120 PolarHBondContact O-N 3.11Å; F117-T120 VanDerWaalsContact O-N 3.12Å; F117-T120 PolarHBondContact O-OG1 3.41Å |
| 118 | A | 91.5 | Very high | 88.9 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.8 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C87 G91 L114 S115 T120 A121 F182 | C87-A118 WeakPolarHBondContact O-CA 3.23Å; G91-A118 VanDerWaalsContact CA-CB 3.43Å; L114-A118 PolarHBondContact O-N 3.45Å; S115-A118 WeakPolarHBondContact O-CB 3Å; S115-A118 PolarHBondContact O-N 3.23Å; A118-T120 PolarHBondContact O-N 2.82Å; A118-T120 VanDerWaalsContact O-N 3.13Å; A118-A121 WeakPolarHBondContact O-CB 3.35Å; A118-A121 PolarHBondContact O-N 3Å; A118-F182 HydrophobicContact CB-CE1 4.48Å; A118-F182 HydrophobicContact CB-CZ 4.14Å |
| 119 | S | 86.7 | Confident | 88.2 | Confident | 64 Ų | 64 | 27.9 Ų | 27.9 | 45% | 0.448 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.3 | -23.8 | 179.8 | 77.8 | 0 | 0 | 0 | 0 | 113.4 | S115 S116 F117 A121 | S115-S119 WeakPolarHBondContact O-CB 3.45Å; S115-S119 PolarHBondContact O-N 3.42Å; S116-S119 PolarHBondContact O-N 3.24Å; S116-S119 PolarHBondContact O-OG 3.23Å; F117-S119 VanDerWaalsContact C-N 3.32Å; F117-S119 PolarHBondContact O-N 2.98Å; S119-A121 PolarHBondContact O-N 3.25Å |
| 120 | T | 85 | Confident | 87.2 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.4 | 176.5 | 70 | 0 | 0 | 0 | 0 | 113.8 | V66 L70 C87 S116 F117 A118 N122 P123 Q124 | V66-T120 HydrophobicContact CG1-CG2 4.32Å; L70-T120 HydrophobicContact CD1-CG2 3.92Å; L70-T120 WeakPolarHBondContact CD1-OG1 3.38Å; C87-T120 PolarHBondContact SG-OG1 2.97Å; S116-T120 WeakPolarHBondContact O-CG2 3.41Å; F117-T120 PolarHBondContact O-N 3.11Å; F117-T120 VanDerWaalsContact O-N 3.12Å; F117-T120 PolarHBondContact O-OG1 3.41Å; A118-T120 PolarHBondContact O-N 2.82Å; A118-T120 VanDerWaalsContact O-N 3.13Å; T120-N122 VanDerWaalsContact C-N 3.27Å; T120-N122 PolarHBondContact O-N 2.75Å; T120-P123 VanDerWaalsContact O-CD 3.24Å; T120-P123 WeakPolarHBondContact O-CD 3.38Å; T120-P123 VanDerWaalsContact O-CG 3.29Å; T120-P123 WeakPolarHBondContact O-CG 3.17Å; T120-Q124 WeakPolarHBondContact O-CG 3.39Å; T120-Q124 PolarHBondContact O-N 3.46Å |
| 121 | A | 85.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.2 | -43.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T26 C87 A118 S119 Q124 M125 | T26-A121 HydrophobicContact CG2-CB 4.34Å; C87-A121 HydrophobicContact CB-CB 3.7Å; A118-A121 WeakPolarHBondContact O-CB 3.35Å; A118-A121 PolarHBondContact O-N 3Å; S119-A121 PolarHBondContact O-N 3.25Å; A121-Q124 PolarHBondContact O-N 2.99Å; A121-M125 VanDerWaalsContact O-CB 3.27Å; A121-M125 WeakPolarHBondContact O-CB 3.26Å; A121-M125 WeakPolarHBondContact O-CG 3.47Å; A121-M125 PolarHBondContact O-N 2.97Å |
| 122 | N | 81.9 | Confident | 85.5 | Confident | 44 Ų | 44 | 28.7 Ų | 28.7 | 24% | 0.235 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.1 | -59 | -178.1 | -74.2 | -3.4 | 0 | 0 | 0 | 112.9 | T26 T120 Q124 M125 F126 | T26-N122 WeakPolarHBondContact CB-OD1 3.42Å; T26-N122 PolarHBondContact OG1-OD1 3.29Å; T120-N122 VanDerWaalsContact C-N 3.27Å; T120-N122 PolarHBondContact O-N 2.75Å; N122-Q124 VanDerWaalsContact C-N 3.31Å; N122-Q124 PolarHBondContact O-N 2.63Å; N122-M125 WeakPolarHBondContact O-CB 3.32Å; N122-M125 PolarHBondContact O-N 3.2Å; N122-F126 WeakPolarHBondContact O-CD2 3.22Å; N122-F126 PolarHBondContact O-N 3.48Å |
| 123 | P | 79.5 | Confident | 84.5 | Confident | 68 Ų | 68 | 28.7 Ų | 28.7 | 44% | 0.442 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.9 | -34.5 | 179.3 | 22.7 | -33.1 | 0 | 0 | 0 | 113.3 | T120 F126 A127 | T120-P123 VanDerWaalsContact O-CD 3.24Å; T120-P123 WeakPolarHBondContact O-CD 3.38Å; T120-P123 VanDerWaalsContact O-CG 3.29Å; T120-P123 WeakPolarHBondContact O-CG 3.17Å; P123-F126 PolarHBondContact O-N 3.1Å; P123-A127 WeakPolarHBondContact O-CB 3.26Å; P123-A127 PolarHBondContact O-N 2.76Å |
| 124 | Q | 82.9 | Confident | 83.4 | Confident | 20 Ų | 20 | 30.1 Ų | 30.1 | 9% | 0.093 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.2 | -36.3 | 176.1 | -64.4 | -58.6 | -42.3 | 0 | 0 | 112 | S74 I84 T120 A121 N122 A127 L128 | S74-Q124 PolarHBondContact OG-OE1 2.88Å; I84-Q124 HydrophobicContact CG1-CB 3.89Å; T120-Q124 WeakPolarHBondContact O-CG 3.39Å; T120-Q124 PolarHBondContact O-N 3.46Å; A121-Q124 PolarHBondContact O-N 2.99Å; N122-Q124 VanDerWaalsContact C-N 3.31Å; N122-Q124 PolarHBondContact O-N 2.63Å; Q124-A127 PolarHBondContact O-N 3.47Å; Q124-L128 WeakPolarHBondContact O-CB 3.25Å; Q124-L128 PolarHBondContact O-N 3.44Å |
| 125 | M | 83.2 | Confident | 82.3 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 173.3 | -80.9 | -62.8 | -52.3 | 0 | 0 | 111.7 | F19 V22 I84 A121 N122 A127 L128 A129 L193 | F19-M125 HydrophobicContact CD1-CE 3.54Å; F19-M125 HydrophobicContact CE1-CE 4.08Å; V22-M125 HydrophobicContact CB-CE 3.61Å; V22-M125 HydrophobicContact CB-SD 4.35Å; V22-M125 HydrophobicContact CG1-CE 3.25Å; V22-M125 HydrophobicContact CG1-CG 3.88Å; V22-M125 HydrophobicContact CG1-SD 3.41Å; V22-M125 WeakPolarHBondContact CG1-SD 3.47Å; V22-M125 HydrophobicContact CG2-CE 4.44Å; I84-M125 HydrophobicContact CD1-CG 4.2Å; I84-M125 HydrophobicContact CD1-SD 3.54Å; I84-M125 VanDerWaalsContact CD1-SD 3.54Å; I84-M125 HydrophobicContact CG1-CG 4.27Å; I84-M125 HydrophobicContact CG1-SD 4.08Å; I84-M125 HydrophobicContact CG2-CG 4.18Å; I84-M125 HydrophobicContact CG2-SD 3.74Å; A121-M125 VanDerWaalsContact O-CB 3.27Å; A121-M125 WeakPolarHBondContact O-CB 3.26Å; A121-M125 WeakPolarHBondContact O-CG 3.47Å; A121-M125 PolarHBondContact O-N 2.97Å; N122-M125 WeakPolarHBondContact O-CB 3.32Å; N122-M125 PolarHBondContact O-N 3.2Å; M125-A127 VanDerWaalsContact C-N 3.32Å; M125-A127 PolarHBondContact O-N 3.5Å; M125-L128 PolarHBondContact O-N 3.29Å; M125-A129 WeakPolarHBondContact O-CB 3.33Å; M125-A129 PolarHBondContact O-N 2.89Å; M125-L193 HydrophobicContact CE-CD2 3.77Å; M125-L193 HydrophobicContact SD-CD2 3.63Å |
| 126 | F | 81.2 | Confident | 81.4 | Confident | 54 Ų | 54 | 37.6 Ų | 37.6 | 24% | 0.237 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -39 | 173.9 | -79.7 | -78.5 | 0 | 0 | 0 | 112.4 | N122 P123 A129 R130 L147 R148 I151 | N122-F126 WeakPolarHBondContact O-CD2 3.22Å; N122-F126 PolarHBondContact O-N 3.48Å; P123-F126 PolarHBondContact O-N 3.1Å; F126-A129 PolarHBondContact O-N 2.88Å; F126-R130 PolarHBondContact O-N 2.81Å; F126-L147 HydrophobicContact CD1-CB 4.09Å; F126-L147 HydrophobicContact CD1-CD1 4.22Å; F126-L147 HydrophobicContact CE1-CB 3.4Å; F126-L147 HydrophobicContact CE1-CD1 4.36Å; F126-L147 HydrophobicContact CZ-CB 3.95Å; F126-R148 HydrophobicContact CE1-CG 3.79Å; F126-R148 HydrophobicContact CZ-CG 3.82Å; F126-I151 HydrophobicContact CE2-CD1 3.43Å; F126-I151 VanDerWaalsContact CE2-CD1 3.43Å; F126-I151 HydrophobicContact CZ-CD1 3.64Å |
| 127 | A | 78 | Confident | 80.1 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 15% | 0.149 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P123 Q124 M125 R130 E131 | P123-A127 WeakPolarHBondContact O-CB 3.26Å; P123-A127 PolarHBondContact O-N 2.76Å; Q124-A127 PolarHBondContact O-N 3.47Å; M125-A127 VanDerWaalsContact C-N 3.32Å; M125-A127 PolarHBondContact O-N 3.5Å; A127-R130 PolarHBondContact O-N 3.38Å; A127-E131 WeakPolarHBondContact O-CG 3.4Å; A127-E131 PolarHBondContact O-N 2.92Å; A127-E131 VanDerWaalsContact O-N 3.09Å |
| 128 | L | 81.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 177.3 | -178.1 | 61.6 | 0 | 0 | 0 | 111.7 | F19 R80 I84 Q124 M125 R130 E131 H132 L193 I196 | F19-L128 HydrophobicContact CE1-CB 4.21Å; F19-L128 HydrophobicContact CE1-CD2 4.09Å; F19-L128 HydrophobicContact CE1-CG 3.9Å; F19-L128 HydrophobicContact CZ-CD2 4.24Å; F19-L128 HydrophobicContact CZ-CG 3.89Å; R80-L128 HydrophobicContact CB-CB 4.32Å; R80-L128 HydrophobicContact CB-CD1 4.15Å; I84-L128 HydrophobicContact CD1-CB 4.25Å; I84-L128 HydrophobicContact CD1-CD2 3.62Å; Q124-L128 WeakPolarHBondContact O-CB 3.25Å; Q124-L128 PolarHBondContact O-N 3.44Å; M125-L128 PolarHBondContact O-N 3.29Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 2.87Å; L128-E131 PolarHBondContact O-N 3.24Å; L128-H132 WeakPolarHBondContact O-CB 3.15Å; L128-H132 PolarHBondContact O-N 3.43Å; L128-L193 HydrophobicContact CD2-CB 4.44Å; L128-L193 HydrophobicContact CD2-CD2 3.93Å; L128-L193 HydrophobicContact CD2-CG 4.43Å; L128-I196 HydrophobicContact CD1-CB 4.05Å; L128-I196 HydrophobicContact CD1-CD1 4Å; L128-I196 HydrophobicContact CD1-CG1 4.18Å |
| 129 | A | 80.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F19 M125 F126 H132 A133 F143 L147 | F19-A129 HydrophobicContact CD1-CB 3.86Å; F19-A129 HydrophobicContact CE1-CB 3.93Å; F19-A129 HydrophobicContact CG-CB 4.45Å; M125-A129 WeakPolarHBondContact O-CB 3.33Å; M125-A129 PolarHBondContact O-N 2.89Å; F126-A129 PolarHBondContact O-N 2.88Å; A129-H132 PolarHBondContact O-N 3.05Å; A129-A133 WeakPolarHBondContact O-CB 3.16Å; A129-A133 PolarHBondContact O-N 2.85Å; A129-F143 HydrophobicContact CB-CD1 4Å; A129-F143 HydrophobicContact CB-CE1 3.44Å; A129-F143 VanDerWaalsContact CB-CE1 3.44Å; A129-F143 HydrophobicContact CB-CZ 4.38Å; A129-L147 HydrophobicContact CB-CD1 3.35Å |
| 130 | R | 75.6 | Confident | 76.6 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 45% | 0.445 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 176.4 | -172.8 | 178.3 | 68.7 | -165.1 | -0.4 | 111.7 | F126 A127 L128 H132 A133 D134 | F126-R130 PolarHBondContact O-N 2.81Å; A127-R130 PolarHBondContact O-N 3.38Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 2.87Å; R130-H132 VanDerWaalsContact C-N 3.27Å; R130-H132 PolarHBondContact O-N 2.95Å; R130-A133 PolarHBondContact O-N 3.22Å; R130-A133 VanDerWaalsContact O-N 3.1Å; R130-D134 VanDerWaalsContact O-CG 3.3Å; R130-D134 PolarHBondContact O-N 2.93Å |
| 131 | E | 78.2 | Confident | 75.5 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -35.4 | 179 | -73.1 | 172.1 | -178.9 | 0 | 0 | 112.4 | R80 A127 L128 R135 I196 R198 | R80-E131 WeakPolarHBondContact CD-OE2 3.43Å; R80-E131 IonicContact CZ-OE1 3.57Å; R80-E131 VanDerWaalsContact CZ-OE1 3.31Å; R80-E131 IonicContact CZ-OE2 3.89Å; R80-E131 IonicContact NE-OE1 2.91Å; R80-E131 PolarHBondContact NE-OE1 2.67Å; R80-E131 IonicContact NE-OE2 3.92Å; R80-E131 PolarHBondContact NE-OE2 3Å; R80-E131 IonicContact NH2-OE1 3.35Å; R80-E131 PolarHBondContact NH2-OE1 3.19Å; A127-E131 WeakPolarHBondContact O-CG 3.4Å; A127-E131 PolarHBondContact O-N 2.92Å; A127-E131 VanDerWaalsContact O-N 3.09Å; L128-E131 PolarHBondContact O-N 3.24Å; E131-R135 WeakPolarHBondContact O-CG 3.09Å; E131-R135 PolarHBondContact O-N 3.14Å; E131-R135 VanDerWaalsContact O-N 3.16Å; E131-I196 HydrophobicContact CB-CD1 4.31Å; E131-I196 HydrophobicContact CB-CG2 4.47Å; E131-R198 IonicContact OE1-CZ 2.71Å; E131-R198 IonicContact OE1-NE 3.3Å; E131-R198 PolarHBondContact OE1-NE 2.83Å; E131-R198 IonicContact OE1-NH2 3.7Å |
| 132 | H | 78.3 | Confident | 74.3 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 11% | 0.106 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 172.4 | -178.1 | 71.8 | 0 | 0 | 0 | 112.1 | F19 L128 A129 R130 R135 T136 I196 | F19-H132 HydrophobicContact CE2-CB 3.93Å; F19-H132 AromaticContact CE2-CD2 3.8Å; F19-H132 AromaticContact CE2-CG 3.85Å; F19-H132 HydrophobicContact CZ-CB 4.05Å; L128-H132 WeakPolarHBondContact O-CB 3.15Å; L128-H132 PolarHBondContact O-N 3.43Å; A129-H132 PolarHBondContact O-N 3.05Å; R130-H132 VanDerWaalsContact C-N 3.27Å; R130-H132 PolarHBondContact O-N 2.95Å; H132-R135 PolarHBondContact O-N 3.36Å; H132-T136 WeakPolarHBondContact O-CB 3.39Å; H132-T136 VanDerWaalsContact O-CG2 3.3Å; H132-T136 WeakPolarHBondContact O-CG2 3.39Å; H132-T136 PolarHBondContact O-N 2.99Å; H132-T136 PolarHBondContact O-OG1 3.33Å; H132-I196 HydrophobicContact CB-CD1 4.25Å |
| 133 | A | 74.6 | Confident | 73.7 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A129 R130 R135 T136 G137 R138 T140 F143 | A129-A133 WeakPolarHBondContact O-CB 3.16Å; A129-A133 PolarHBondContact O-N 2.85Å; R130-A133 PolarHBondContact O-N 3.22Å; R130-A133 VanDerWaalsContact O-N 3.1Å; A133-R135 VanDerWaalsContact C-N 3.34Å; A133-R135 PolarHBondContact O-N 2.8Å; A133-T136 WeakPolarHBondContact CA-OG1 3.41Å; A133-T136 PolarHBondContact O-N 2.96Å; A133-T136 PolarHBondContact O-OG1 3.21Å; A133-G137 PolarHBondContact O-N 3.29Å; A133-R138 HydrophobicContact CB-CB 4.47Å; A133-R138 PolarHBondContact O-N 3.25Å; A133-T140 HydrophobicContact CB-CG2 3.52Å; A133-F143 HydrophobicContact CB-CD1 4.29Å |
| 134 | D | 73.4 | Confident | 73.2 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.8 | -69.7 | -28.3 | 0 | 0 | 0 | 111.6 | R130 T140 | R130-D134 VanDerWaalsContact O-CG 3.3Å; R130-D134 PolarHBondContact O-N 2.93Å; D134-T140 WeakPolarHBondContact OD1-CG2 3.26Å |
| 135 | R | 73.7 | Confident | 72.7 | Confident | 163 Ų | 163 | 58.4 Ų | 58.4 | 62% | 0.615 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.9 | -27.6 | 178.1 | -76.3 | -174.1 | 177 | -169.4 | -0.2 | 114 | E131 H132 A133 I196 Q197 | E131-R135 WeakPolarHBondContact O-CG 3.09Å; E131-R135 PolarHBondContact O-N 3.14Å; E131-R135 VanDerWaalsContact O-N 3.16Å; H132-R135 PolarHBondContact O-N 3.36Å; A133-R135 VanDerWaalsContact C-N 3.34Å; A133-R135 PolarHBondContact O-N 2.8Å; R135-I196 VanDerWaalsContact CZ-CG2 3.45Å; R135-Q197 PolarHBondContact NH2-O 3.43Å |
| 136 | T | 73.9 | Confident | 72.4 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 32% | 0.319 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -97.3 | -6 | -176.2 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | L12 H132 A133 R138 | L12-T136 HydrophobicContact CD2-CG2 3.47Å; L12-T136 VanDerWaalsContact CD2-CG2 3.47Å; H132-T136 WeakPolarHBondContact O-CB 3.39Å; H132-T136 VanDerWaalsContact O-CG2 3.3Å; H132-T136 WeakPolarHBondContact O-CG2 3.39Å; H132-T136 PolarHBondContact O-N 2.99Å; H132-T136 PolarHBondContact O-OG1 3.33Å; A133-T136 WeakPolarHBondContact CA-OG1 3.41Å; A133-T136 PolarHBondContact O-N 2.96Å; A133-T136 PolarHBondContact O-OG1 3.21Å; T136-R138 VanDerWaalsContact C-N 3.27Å; T136-R138 PolarHBondContact O-N 3.37Å |
| 137 | G | 66.5 | Low | 72.3 | Confident | 71 Ų | 71 | 61 Ų | 61 | 73% | 0.732 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 17.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A133 | A133-G137 PolarHBondContact O-N 3.29Š|
| 138 | R | 65.5 | Low | 72.2 | Confident | 106 Ų | 106 | 65.4 Ų | 65.4 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | trans | -75.2 | 155.6 | 172 | -79.8 | -166.4 | 175.6 | -158.1 | -0 | 110.7 | D13 A133 T136 T140 | D13-R138 IonicContact OD1-CZ 2.73Å; D13-R138 IonicContact OD1-NH2 3.24Å; D13-R138 PolarHBondContact OD1-NH2 3.37Å; A133-R138 HydrophobicContact CB-CB 4.47Å; A133-R138 PolarHBondContact O-N 3.25Å; T136-R138 VanDerWaalsContact C-N 3.27Å; T136-R138 PolarHBondContact O-N 3.37Å; R138-T140 PolarHBondContact O-N 3.38Å | ||
| 139 | E | 66.1 | Low | 72.2 | Confident | 147 Ų | 147 | 67.7 Ų | 67.7 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | trans | -61.3 | 99.6 | 168 | -74.6 | -170.7 | 159.5 | 0 | 0 | 110.6 | V141 M142 F143 | E139-V141 PolarHBondContact O-N 3.43Å; E139-M142 HydrophobicContact CB-CB 4.19Å; E139-M142 HydrophobicContact CB-CG 4.36Å; E139-M142 PolarHBondContact O-N 3.49Å; E139-M142 WeakPolarHBondContact OE2-CG 3.15Å; E139-F143 PolarHBondContact O-N 3.14Å | ||
| 140 | T | 63.7 | Low | 72.4 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.1 | -33 | -179.3 | 53.5 | 0 | 0 | 0 | 0 | 112.5 | A133 D134 R138 S144 | A133-T140 HydrophobicContact CB-CG2 3.52Å; D134-T140 WeakPolarHBondContact OD1-CG2 3.26Å; R138-T140 PolarHBondContact O-N 3.38Å; T140-S144 WeakPolarHBondContact O-CB 3.38Å; T140-S144 PolarHBondContact O-N 2.86Å; T140-S144 PolarHBondContact O-OG 2.99Å |
| 141 | V | 62 | Low | 72.9 | Confident | 105 Ų | 105 | 66 Ų | 66 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.9 | -53.9 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 111 | E139 F143 S144 T145 | E139-V141 PolarHBondContact O-N 3.43Å; V141-F143 VanDerWaalsContact C-N 3.31Å; V141-F143 PolarHBondContact O-N 3.14Å; V141-S144 PolarHBondContact O-N 3.3Å; V141-T145 PolarHBondContact O-N 3.39Å; V141-T145 PolarHBondContact O-OG1 2.95Å; V141-T145 VanDerWaalsContact O-OG1 3.05Å |
| 142 | M | 60 | Low | 73.1 | Confident | 87 Ų | 87 | 67.2 Ų | 67.2 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | -180 | -77.6 | -60.8 | -65.5 | 0 | 0 | 111.6 | E139 S144 T145 F146 | E139-M142 HydrophobicContact CB-CB 4.19Å; E139-M142 HydrophobicContact CB-CG 4.36Å; E139-M142 PolarHBondContact O-N 3.49Å; E139-M142 WeakPolarHBondContact OE2-CG 3.15Å; M142-S144 PolarHBondContact O-N 3.28Å; M142-T145 WeakPolarHBondContact O-CB 3.39Å; M142-T145 PolarHBondContact O-N 3.4Å; M142-F146 HydrophobicContact CB-CE2 4.49Å; M142-F146 HydrophobicContact CE-CE2 3.65Å; M142-F146 HydrophobicContact CE-CZ 3.85Å; M142-F146 WeakPolarHBondContact O-CD2 3.37Å; M142-F146 PolarHBondContact O-N 2.92Å |
| 143 | F | 70.3 | Confident | 73.6 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.5 | -172 | -123.4 | 0 | 0 | 0 | 112.6 | A16 F19 A129 A133 E139 V141 T145 F146 L147 | A16-F143 HydrophobicContact CB-CE2 3.97Å; F19-F143 HydrophobicContact CB-CE1 4.34Å; F19-F143 HydrophobicContact CB-CE2 4.25Å; F19-F143 HydrophobicContact CB-CZ 3.49Å; F19-F143 VanDerWaalsContact CB-CZ 3.49Å; F19-F143 HydrophobicContact CD2-CE1 4.12Å; F19-F143 AromaticContact CD2-CZ 3.61Å; F19-F143 HydrophobicContact CD2-CZ 3.61Å; F19-F143 HydrophobicContact CE2-CZ 4.48Å; F19-F143 HydrophobicContact CG-CE1 4.18Å; F19-F143 AromaticContact CG-CZ 3.67Å; F19-F143 HydrophobicContact CG-CZ 3.67Å; A129-F143 HydrophobicContact CB-CD1 4Å; A129-F143 HydrophobicContact CB-CE1 3.44Å; A129-F143 VanDerWaalsContact CB-CE1 3.44Å; A129-F143 HydrophobicContact CB-CZ 4.38Å; A133-F143 HydrophobicContact CB-CD1 4.29Å; E139-F143 PolarHBondContact O-N 3.14Å; V141-F143 VanDerWaalsContact C-N 3.31Å; V141-F143 PolarHBondContact O-N 3.14Å; F143-T145 VanDerWaalsContact C-N 3.31Å; F143-T145 PolarHBondContact O-N 2.9Å; F143-F146 PolarHBondContact O-N 2.82Å; F143-L147 HydrophobicContact CD1-CD1 4.06Å; F143-L147 HydrophobicContact CE1-CD1 3.92Å; F143-L147 HydrophobicContact CZ-CD1 4.26Å; F143-L147 WeakPolarHBondContact O-CG 3.31Å; F143-L147 PolarHBondContact O-N 2.65Å; F143-L147 VanDerWaalsContact O-N 3.09Å |
| 144 | S | 68.8 | Low | 74.4 | Confident | 34 Ų | 34 | 69.3 Ų | 69.3 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 175.5 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | T140 V141 M142 L147 R148 | T140-S144 WeakPolarHBondContact O-CB 3.38Å; T140-S144 PolarHBondContact O-N 2.86Å; T140-S144 PolarHBondContact O-OG 2.99Å; V141-S144 PolarHBondContact O-N 3.3Å; M142-S144 PolarHBondContact O-N 3.28Å; S144-L147 PolarHBondContact O-N 2.99Å; S144-R148 PolarHBondContact O-N 2.93Å; S144-R148 VanDerWaalsContact O-N 3.07Å |
| 145 | T | 71.8 | Confident | 75.3 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 175.6 | -60 | 0 | 0 | 0 | 0 | 111.6 | V141 M142 F143 L147 R148 A149 | V141-T145 PolarHBondContact O-N 3.39Å; V141-T145 PolarHBondContact O-OG1 2.95Å; V141-T145 VanDerWaalsContact O-OG1 3.05Å; M142-T145 WeakPolarHBondContact O-CB 3.39Å; M142-T145 PolarHBondContact O-N 3.4Å; F143-T145 VanDerWaalsContact C-N 3.31Å; F143-T145 PolarHBondContact O-N 2.9Å; T145-L147 VanDerWaalsContact C-N 3.31Å; T145-L147 PolarHBondContact O-N 3.49Å; T145-R148 PolarHBondContact O-N 3.19Å; T145-A149 PolarHBondContact O-N 3.36Å |
| 146 | F | 76.8 | Confident | 76.2 | Confident | 111 Ų | 111 | 62.2 Ų | 62.2 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 176.6 | -74 | -63.3 | 0 | 0 | 0 | 112.3 | L20 M142 F143 R148 A149 Q150 | L20-F146 HydrophobicContact CD2-CB 3.66Å; M142-F146 HydrophobicContact CB-CE2 4.49Å; M142-F146 HydrophobicContact CE-CE2 3.65Å; M142-F146 HydrophobicContact CE-CZ 3.85Å; M142-F146 WeakPolarHBondContact O-CD2 3.37Å; M142-F146 PolarHBondContact O-N 2.92Å; F143-F146 PolarHBondContact O-N 2.82Å; F146-R148 VanDerWaalsContact C-N 3.35Å; F146-R148 PolarHBondContact O-N 3.18Å; F146-A149 WeakPolarHBondContact O-CB 3.46Å; F146-A149 PolarHBondContact O-N 2.98Å; F146-Q150 WeakPolarHBondContact O-CG 3.44Å; F146-Q150 PolarHBondContact O-N 2.87Å; F146-Q150 VanDerWaalsContact O-N 3.1Å |
| 147 | L | 79 | Confident | 77.1 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.2 | -72.2 | 167.6 | 0 | 0 | 0 | 112.4 | F19 L20 A23 F126 A129 F143 S144 T145 A149 Q150 I151 | F19-L147 HydrophobicContact CB-CD2 4.03Å; F19-L147 VanDerWaalsContact O-CD2 3.31Å; F19-L147 WeakPolarHBondContact O-CD2 3.41Å; L20-L147 HydrophobicContact CD2-CD2 3.93Å; L20-L147 HydrophobicContact CD2-CG 4.19Å; A23-L147 HydrophobicContact CB-CD2 3.68Å; F126-L147 HydrophobicContact CD1-CB 4.09Å; F126-L147 HydrophobicContact CD1-CD1 4.22Å; F126-L147 HydrophobicContact CE1-CB 3.4Å; F126-L147 HydrophobicContact CE1-CD1 4.36Å; F126-L147 HydrophobicContact CZ-CB 3.95Å; A129-L147 HydrophobicContact CB-CD1 3.35Å; F143-L147 HydrophobicContact CD1-CD1 4.06Å; F143-L147 HydrophobicContact CE1-CD1 3.92Å; F143-L147 HydrophobicContact CZ-CD1 4.26Å; F143-L147 WeakPolarHBondContact O-CG 3.31Å; F143-L147 PolarHBondContact O-N 2.65Å; F143-L147 VanDerWaalsContact O-N 3.09Å; S144-L147 PolarHBondContact O-N 2.99Å; T145-L147 VanDerWaalsContact C-N 3.31Å; T145-L147 PolarHBondContact O-N 3.49Å; L147-A149 VanDerWaalsContact C-N 3.35Å; L147-Q150 PolarHBondContact O-N 3.44Å; L147-I151 PolarHBondContact O-N 3.46Å |
| 148 | R | 76.6 | Confident | 78.4 | Confident | 110 Ų | 110 | 60 Ų | 60 | 42% | 0.415 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 173.7 | -74.7 | -169.5 | 68.3 | 158.9 | -1 | 111.9 | F126 S144 T145 F146 Q150 I151 S152 M328 | F126-R148 HydrophobicContact CE1-CG 3.79Å; F126-R148 HydrophobicContact CZ-CG 3.82Å; S144-R148 PolarHBondContact O-N 2.93Å; S144-R148 VanDerWaalsContact O-N 3.07Å; T145-R148 PolarHBondContact O-N 3.19Å; F146-R148 VanDerWaalsContact C-N 3.35Å; F146-R148 PolarHBondContact O-N 3.18Å; R148-Q150 PolarHBondContact O-N 3.3Å; R148-I151 PolarHBondContact O-N 3.33Å; R148-I151 VanDerWaalsContact O-N 3.1Å; R148-S152 PolarHBondContact O-N 3.21Å; R148-S152 PolarHBondContact O-OG 3.23Å; R148-M328 PolarHBondContact NH1-SD 3.41Å |
| 149 | A | 80.7 | Confident | 79.8 | Confident | 49 Ų | 49 | 55 Ų | 55 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.7 | -35.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T145 F146 L147 S152 L153 | T145-A149 PolarHBondContact O-N 3.36Å; F146-A149 WeakPolarHBondContact O-CB 3.46Å; F146-A149 PolarHBondContact O-N 2.98Å; L147-A149 VanDerWaalsContact C-N 3.35Å; A149-S152 PolarHBondContact O-N 3.41Å; A149-L153 WeakPolarHBondContact O-CB 3.25Å; A149-L153 PolarHBondContact O-N 3.45Å |
| 150 | Q | 86.1 | Confident | 81.1 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 23% | 0.234 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 174.6 | -66.2 | -53.4 | -61.1 | 0 | 0 | 112.9 | L20 A23 F24 F146 L147 R148 L153 A154 | L20-Q150 HydrophobicContact CB-CG 4.14Å; L20-Q150 HydrophobicContact CD2-CG 3.98Å; A23-Q150 HydrophobicContact CB-CB 4.19Å; F24-Q150 HydrophobicContact CB-CB 4.12Å; F146-Q150 WeakPolarHBondContact O-CG 3.44Å; F146-Q150 PolarHBondContact O-N 2.87Å; F146-Q150 VanDerWaalsContact O-N 3.1Å; L147-Q150 PolarHBondContact O-N 3.44Å; R148-Q150 PolarHBondContact O-N 3.3Å; Q150-L153 PolarHBondContact O-N 2.86Å; Q150-A154 WeakPolarHBondContact O-CB 3.12Å; Q150-A154 PolarHBondContact O-N 2.74Å |
| 151 | I | 84.9 | Confident | 82.6 | Confident | 31 Ų | 31 | 51.3 Ų | 51.3 | 16% | 0.159 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 176.2 | -64.1 | 178.4 | 0 | 0 | 0 | 110.4 | F126 L147 R148 L153 A154 W155 | F126-I151 HydrophobicContact CE2-CD1 3.43Å; F126-I151 VanDerWaalsContact CE2-CD1 3.43Å; F126-I151 HydrophobicContact CZ-CD1 3.64Å; L147-I151 PolarHBondContact O-N 3.46Å; R148-I151 PolarHBondContact O-N 3.33Å; R148-I151 VanDerWaalsContact O-N 3.1Å; I151-L153 VanDerWaalsContact C-N 3.35Å; I151-L153 PolarHBondContact O-N 3Å; I151-A154 WeakPolarHBondContact O-CB 3.49Å; I151-A154 PolarHBondContact O-N 3.4Å; I151-W155 PolarHBondContact O-N 3.24Å; I151-W155 VanDerWaalsContact O-N 3.12Å |
| 152 | S | 82.7 | Confident | 84.2 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 175.1 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | R148 A149 A154 W155 V156 | R148-S152 PolarHBondContact O-N 3.21Å; R148-S152 PolarHBondContact O-OG 3.23Å; A149-S152 PolarHBondContact O-N 3.41Å; S152-A154 VanDerWaalsContact C-N 3.26Å; S152-A154 PolarHBondContact O-N 3.39Å; S152-W155 WeakPolarHBondContact O-CA 3.44Å; S152-W155 WeakPolarHBondContact O-CB 3.21Å; S152-W155 PolarHBondContact O-N 2.95Å; S152-V156 WeakPolarHBondContact O-CG2 3.28Å; S152-V156 PolarHBondContact O-N 3.39Å |
| 153 | L | 88 | Confident | 85.8 | Confident | 69 Ų | 69 | 42.2 Ų | 42.2 | 36% | 0.361 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.1 | -39.6 | 175 | -178.2 | 63.3 | 0 | 0 | 0 | 112 | F24 A149 Q150 I151 W155 V156 I157 | F24-L153 HydrophobicContact CD2-CD2 4.27Å; F24-L153 HydrophobicContact CD2-CG 4.41Å; F24-L153 HydrophobicContact CE2-CB 4.49Å; F24-L153 HydrophobicContact CE2-CD2 4.08Å; F24-L153 HydrophobicContact CE2-CG 3.99Å; A149-L153 WeakPolarHBondContact O-CB 3.25Å; A149-L153 PolarHBondContact O-N 3.45Å; Q150-L153 PolarHBondContact O-N 2.86Å; I151-L153 VanDerWaalsContact C-N 3.35Å; I151-L153 PolarHBondContact O-N 3Å; L153-W155 VanDerWaalsContact C-N 3.26Å; L153-W155 PolarHBondContact O-N 2.8Å; L153-V156 PolarHBondContact O-N 3.38Å; L153-V156 VanDerWaalsContact O-N 3.14Å; L153-I157 HydrophobicContact CD1-CD1 3.96Å; L153-I157 HydrophobicContact CD1-CG1 4.48Å; L153-I157 HydrophobicContact CG-CD1 4.13Å; L153-I157 PolarHBondContact O-N 3.08Å; L153-I157 VanDerWaalsContact O-N 3.15Å |
| 154 | A | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -30.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F24 G27 I28 A31 Q150 I151 S152 G158 | F24-A154 HydrophobicContact CD2-CB 4.06Å; F24-A154 HydrophobicContact CE2-CB 4.15Å; G27-A154 VanDerWaalsContact C-CB 3.5Å; I28-A154 HydrophobicContact CB-CB 4.13Å; A31-A154 WeakPolarHBondContact CB-O 3.49Å; Q150-A154 WeakPolarHBondContact O-CB 3.12Å; Q150-A154 PolarHBondContact O-N 2.74Å; I151-A154 WeakPolarHBondContact O-CB 3.49Å; I151-A154 PolarHBondContact O-N 3.4Å; S152-A154 VanDerWaalsContact C-N 3.26Å; S152-A154 PolarHBondContact O-N 3.39Å; A154-G158 WeakPolarHBondContact O-CA 3.31Å; A154-G158 PolarHBondContact O-N 3.28Å |
| 155 | W | 91 | Very high | 88.2 | Confident | 71 Ų | 71 | 44.9 Ų | 44.9 | 27% | 0.269 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -78.2 | -21.8 | 172.6 | -86.1 | 86.2 | 0 | 0 | 0 | 113.9 | A31 T34 P35 I151 S152 L153 P159 M237 I259 A263 | A31-W155 HydrophobicContact CB-CD2 4.31Å; A31-W155 HydrophobicContact CB-CG 4.37Å; T34-W155 HydrophobicContact CG2-CH2 4.15Å; P35-W155 HydrophobicContact CG-CZ3 4.3Å; I151-W155 PolarHBondContact O-N 3.24Å; I151-W155 VanDerWaalsContact O-N 3.12Å; S152-W155 WeakPolarHBondContact O-CA 3.44Å; S152-W155 WeakPolarHBondContact O-CB 3.21Å; S152-W155 PolarHBondContact O-N 2.95Å; L153-W155 VanDerWaalsContact C-N 3.26Å; L153-W155 PolarHBondContact O-N 2.8Å; W155-P159 HydrophobicContact CE3-CG 4.25Å; W155-P159 WeakPolarHBondContact O-CD 3.45Å; W155-P159 VanDerWaalsContact O-CG 3.26Å; W155-P159 WeakPolarHBondContact O-CG 3.23Å; W155-M237 HydrophobicContact CH2-CE 4.48Å; W155-M237 HydrophobicContact CH2-SD 4.08Å; W155-M237 HydrophobicContact CZ3-SD 4.03Å; W155-I259 HydrophobicContact CE3-CG2 4.2Å; W155-I259 HydrophobicContact CZ3-CG2 4.32Å; W155-A263 HydrophobicContact CB-CB 4.18Å |
| 156 | V | 93.3 | Very high | 89.2 | Confident | 39 Ų | 39 | 41.3 Ų | 41.3 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72 | -43.1 | 171.8 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | S152 L153 P160 G260 A263 I267 | S152-V156 WeakPolarHBondContact O-CG2 3.28Å; S152-V156 PolarHBondContact O-N 3.39Å; L153-V156 PolarHBondContact O-N 3.38Å; L153-V156 VanDerWaalsContact O-N 3.14Å; V156-P160 WeakPolarHBondContact O-CD 3.49Å; V156-G260 WeakPolarHBondContact O-CA 3.49Å; V156-A263 HydrophobicContact CG2-CB 4.05Å; V156-I267 HydrophobicContact CG2-CD1 4.32Å |
| 157 | I | 93.9 | Very high | 89.8 | Confident | 77 Ų | 77 | 38.6 Ų | 38.6 | 40% | 0.395 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -92.1 | -35.7 | -173.9 | -59.2 | 170.8 | 0 | 0 | 0 | 111.9 | F24 L153 P160 L161 | F24-I157 HydrophobicContact CZ-CD1 4.48Å; L153-I157 HydrophobicContact CD1-CD1 3.96Å; L153-I157 HydrophobicContact CD1-CG1 4.48Å; L153-I157 HydrophobicContact CG-CD1 4.13Å; L153-I157 PolarHBondContact O-N 3.08Å; L153-I157 VanDerWaalsContact O-N 3.15Å; I157-P160 WeakPolarHBondContact O-CD 3.46Å; I157-L161 VanDerWaalsContact O-CB 3.26Å; I157-L161 WeakPolarHBondContact O-CB 3.2Å; I157-L161 PolarHBondContact O-N 3.49Å; I157-L161 VanDerWaalsContact O-N 3.1Å |
| 158 | G | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -54.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A154 L161 A162 | A154-G158 WeakPolarHBondContact O-CA 3.31Å; A154-G158 PolarHBondContact O-N 3.28Å; G158-L161 CarbonylContact O-C 3.58Å; G158-L161 PolarHBondContact O-N 3.14Å; G158-A162 VanDerWaalsContact O-CB 3.32Å; G158-A162 WeakPolarHBondContact O-CB 3.38Å; G158-A162 PolarHBondContact O-N 3.37Å |
| 159 | P | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -52.1 | -179.8 | -17.6 | 28.9 | 0 | 0 | 0 | 112.9 | P35 W155 L161 A162 Y163 I259 | P35-P159 HydrophobicContact CB-CB 4.19Å; P35-P159 HydrophobicContact CG-CB 3.84Å; P35-P159 HydrophobicContact CG-CG 3.9Å; W155-P159 HydrophobicContact CE3-CG 4.25Å; W155-P159 WeakPolarHBondContact O-CD 3.45Å; W155-P159 VanDerWaalsContact O-CG 3.26Å; W155-P159 WeakPolarHBondContact O-CG 3.23Å; P159-L161 VanDerWaalsContact C-N 3.27Å; P159-L161 PolarHBondContact O-N 2.94Å; P159-A162 WeakPolarHBondContact O-CA 3.24Å; P159-A162 VanDerWaalsContact O-CB 3.26Å; P159-A162 WeakPolarHBondContact O-CB 3.37Å; P159-A162 PolarHBondContact O-N 3.3Å; P159-Y163 VanDerWaalsContact O-CD2 3.29Å; P159-Y163 WeakPolarHBondContact O-CD2 3.27Å; P159-Y163 PolarHBondContact O-N 3.12Å; P159-I259 HydrophobicContact CB-CB 3.92Å; P159-I259 HydrophobicContact CB-CD1 4.4Å; P159-I259 HydrophobicContact CB-CG2 3.87Å; P159-I259 HydrophobicContact CG-CB 4.13Å; P159-I259 HydrophobicContact CG-CG2 3.52Å |
| 160 | P | 94 | Very high | 91.7 | Very high | 46 Ų | 46 | 41.8 Ų | 41.8 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -53.1 | -44.4 | 174.2 | -25.6 | 32.5 | 0 | 0 | 0 | 113.1 | V156 I157 A162 Y163 E164 G256 | V156-P160 WeakPolarHBondContact O-CD 3.49Å; I157-P160 WeakPolarHBondContact O-CD 3.46Å; P160-A162 VanDerWaalsContact C-N 3.34Å; P160-A162 PolarHBondContact O-N 3.39Å; P160-Y163 PolarHBondContact O-N 3.11Å; P160-E164 PolarHBondContact O-N 2.83Å; P160-G256 WeakPolarHBondContact CD-O 2.94Å; P160-G256 WeakPolarHBondContact CG-O 3.44Å |
| 161 | L | 95.2 | Very high | 92.1 | Very high | 64 Ų | 64 | 39.8 Ų | 39.8 | 34% | 0.335 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.6 | -37.4 | 176.5 | -179.2 | 62.3 | 0 | 0 | 0 | 112.3 | I28 L32 I157 G158 P159 E164 L165 | I28-L161 HydrophobicContact CD1-CD2 4.17Å; L32-L161 HydrophobicContact CD2-CB 4.35Å; L32-L161 HydrophobicContact CD2-CD2 4.23Å; L32-L161 HydrophobicContact CD2-CG 4.05Å; I157-L161 VanDerWaalsContact O-CB 3.26Å; I157-L161 WeakPolarHBondContact O-CB 3.2Å; I157-L161 PolarHBondContact O-N 3.49Å; I157-L161 VanDerWaalsContact O-N 3.1Å; G158-L161 CarbonylContact O-C 3.58Å; G158-L161 PolarHBondContact O-N 3.14Å; P159-L161 VanDerWaalsContact C-N 3.27Å; P159-L161 PolarHBondContact O-N 2.94Å; L161-E164 PolarHBondContact O-N 3.38Å; L161-L165 HydrophobicContact CD1-CD1 4.02Å; L161-L165 HydrophobicContact CD1-CG 4.08Å; L161-L165 HydrophobicContact CG-CD1 3.89Å; L161-L165 HydrophobicContact CG-CG 4.37Å; L161-L165 WeakPolarHBondContact O-CB 3.35Å; L161-L165 VanDerWaalsContact O-CG 3.22Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 3.2Å |
| 162 | A | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | L32 T36 G158 P159 P160 L165 A166 M174 | L32-A162 HydrophobicContact CD2-CB 3.9Å; L32-A162 WeakPolarHBondContact O-CB 3.37Å; T36-A162 HydrophobicContact CG2-CB 3.63Å; G158-A162 VanDerWaalsContact O-CB 3.32Å; G158-A162 WeakPolarHBondContact O-CB 3.38Å; G158-A162 PolarHBondContact O-N 3.37Å; P159-A162 WeakPolarHBondContact O-CA 3.24Å; P159-A162 VanDerWaalsContact O-CB 3.26Å; P159-A162 WeakPolarHBondContact O-CB 3.37Å; P159-A162 PolarHBondContact O-N 3.3Å; P160-A162 VanDerWaalsContact C-N 3.34Å; P160-A162 PolarHBondContact O-N 3.39Å; A162-L165 PolarHBondContact O-N 3.12Å; A162-A166 WeakPolarHBondContact O-CB 3.46Å; A162-A166 PolarHBondContact O-N 3.48Å; A162-M174 HydrophobicContact CB-SD 4.27Å |
| 163 | Y | 93.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 178.5 | -82.3 | -92.1 | 0 | 0 | 0 | 111.7 | P35 T36 I39 P159 P160 L165 M167 P241 D252 A255 G256 | P35-Y163 HydrophobicContact CB-CE2 3.92Å; P35-Y163 PolarHBondContact O-OH 3.34Å; T36-Y163 HydrophobicContact CG2-CD2 3.94Å; T36-Y163 HydrophobicContact CG2-CE2 3.83Å; T36-Y163 HydrophobicContact CG2-CG 4.35Å; I39-Y163 HydrophobicContact CD1-CE1 3.58Å; P159-Y163 VanDerWaalsContact O-CD2 3.29Å; P159-Y163 WeakPolarHBondContact O-CD2 3.27Å; P159-Y163 PolarHBondContact O-N 3.12Å; P160-Y163 PolarHBondContact O-N 3.11Å; Y163-L165 PolarHBondContact O-N 3.28Å; Y163-M167 HydrophobicContact CD1-CE 4.13Å; Y163-M167 HydrophobicContact CD1-CG 4.34Å; Y163-M167 HydrophobicContact CE1-CE 4.18Å; Y163-M167 VanDerWaalsContact O-CB 3.29Å; Y163-M167 WeakPolarHBondContact O-CB 3.24Å; Y163-M167 WeakPolarHBondContact O-CG 3.08Å; Y163-M167 PolarHBondContact O-N 3.19Å; Y163-P241 WeakPolarHBondContact OH-CB 3.48Å; Y163-P241 WeakPolarHBondContact OH-CG 3.23Å; Y163-D252 HydrophobicContact CD1-CB 4.25Å; Y163-D252 WeakPolarHBondContact CD1-O 3.48Å; Y163-D252 HydrophobicContact CE1-CB 4.46Å; Y163-D252 VanDerWaalsContact CE1-O 3.23Å; Y163-D252 WeakPolarHBondContact CE1-O 3.3Å; Y163-A255 HydrophobicContact CD1-CB 4.41Å; Y163-A255 HydrophobicContact CE1-CB 3.66Å; Y163-A255 HydrophobicContact CE2-CB 4.17Å; Y163-G256 VanDerWaalsContact CD2-CA 3.45Å |
| 164 | E | 93.6 | Very high | 93.8 | Very high | 82 Ų | 82 | 40.5 Ų | 40.5 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 175 | -166.4 | 61.2 | -142.4 | 0 | 0 | 111.7 | P160 L161 G168 K253 | P160-E164 PolarHBondContact O-N 2.83Å; L161-E164 PolarHBondContact O-N 3.38Å; E164-G168 WeakPolarHBondContact O-CA 3.46Å; E164-G168 PolarHBondContact O-N 2.81Å; E164-K253 IonicContact OE1-NZ 3.89Å; E164-K253 PolarHBondContact OE1-NZ 3.5Å; E164-K253 WeakPolarHBondContact OE2-CE 3.31Å; E164-K253 IonicContact OE2-NZ 2.92Å; E164-K253 PolarHBondContact OE2-NZ 2.83Å |
| 165 | L | 95 | Very high | 94 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 12% | 0.12 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.3 | -42.7 | 178 | -68.5 | 171.4 | 0 | 0 | 0 | 112.5 | L32 L161 A162 Y163 F169 S170 V173 M174 T177 | L32-L165 HydrophobicContact CD2-CD1 4.06Å; L161-L165 HydrophobicContact CD1-CD1 4.02Å; L161-L165 HydrophobicContact CD1-CG 4.08Å; L161-L165 HydrophobicContact CG-CD1 3.89Å; L161-L165 HydrophobicContact CG-CG 4.37Å; L161-L165 WeakPolarHBondContact O-CB 3.35Å; L161-L165 VanDerWaalsContact O-CG 3.22Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 3.2Å; A162-L165 PolarHBondContact O-N 3.12Å; Y163-L165 PolarHBondContact O-N 3.28Å; L165-F169 HydrophobicContact CD2-CD2 4.4Å; L165-F169 WeakPolarHBondContact O-CB 3.14Å; L165-F169 PolarHBondContact O-N 3.34Å; L165-S170 PolarHBondContact O-N 3.29Å; L165-V173 HydrophobicContact CD2-CG1 4.15Å; L165-M174 HydrophobicContact CB-CB 3.97Å; L165-M174 HydrophobicContact CB-CG 4.36Å; L165-T177 HydrophobicContact CD1-CG2 3.94Å |
| 166 | A | 93.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 40 Ų | 40 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.6 | -49.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T36 A162 S170 F171 M174 | T36-A166 HydrophobicContact CG2-CB 4.46Å; A162-A166 WeakPolarHBondContact O-CB 3.46Å; A162-A166 PolarHBondContact O-N 3.48Å; A166-S170 CarbonylContact O-C 3.11Å; A166-S170 WeakPolarHBondContact O-CA 3.42Å; A166-S170 PolarHBondContact O-N 2.71Å; A166-F171 HydrophobicContact CB-CD1 3.82Å; A166-F171 HydrophobicContact CB-CE1 3.81Å; A166-F171 HydrophobicContact CB-CG 4.41Å; A166-F171 HydrophobicContact CB-CZ 4.37Å; A166-M174 HydrophobicContact CB-CB 4.41Å; A166-M174 HydrophobicContact CB-SD 3.87Å |
| 167 | M | 89.3 | Confident | 94.5 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 27% | 0.266 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -91 | -29.5 | -172.7 | -49.9 | -45.2 | -173.4 | 0 | 0 | 112.7 | I39 Y163 F171 D252 | I39-M167 HydrophobicContact CB-CE 4.18Å; I39-M167 HydrophobicContact CD1-CE 3.45Å; I39-M167 VanDerWaalsContact CD1-CE 3.45Å; I39-M167 HydrophobicContact CG1-CE 4.43Å; I39-M167 HydrophobicContact CG2-CE 3.75Å; Y163-M167 HydrophobicContact CD1-CE 4.13Å; Y163-M167 HydrophobicContact CD1-CG 4.34Å; Y163-M167 HydrophobicContact CE1-CE 4.18Å; Y163-M167 VanDerWaalsContact O-CB 3.29Å; Y163-M167 WeakPolarHBondContact O-CB 3.24Å; Y163-M167 WeakPolarHBondContact O-CG 3.08Å; Y163-M167 PolarHBondContact O-N 3.19Å; M167-F171 HydrophobicContact CE-CZ 3.99Å; M167-F171 HydrophobicContact SD-CZ 4.2Å; M167-D252 HydrophobicContact CE-CB 3.93Å; M167-D252 HydrophobicContact CG-CB 3.83Å; M167-D252 HydrophobicContact SD-CB 4.45Å |
| 168 | G | 89.5 | Confident | 94.6 | Very high | 43 Ų | 43 | 36.6 Ų | 36.6 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -79.9 | -29.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E164 | E164-G168 WeakPolarHBondContact O-CA 3.46Å; E164-G168 PolarHBondContact O-N 2.81Å |
| 169 | F | 92.9 | Very high | 94.8 | Very high | 148 Ų | 148 | 37 Ų | 37 | 65% | 0.649 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | -75.2 | 179.9 | -61.4 | -91.9 | 0 | 0 | 0 | 112.7 | L165 V173 | L165-F169 HydrophobicContact CD2-CD2 4.4Å; L165-F169 WeakPolarHBondContact O-CB 3.14Å; L165-F169 PolarHBondContact O-N 3.34Å; F169-V173 HydrophobicContact CB-CB 4.12Å; F169-V173 HydrophobicContact CB-CG1 4.24Å; F169-V173 HydrophobicContact CB-CG2 4.11Å |
| 170 | S | 94.6 | Very high | 94.9 | Very high | 38 Ų | 38 | 42 Ų | 42 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | trans | -177.8 | 157.3 | 172.9 | 58 | 0 | 0 | 0 | 0 | 110.4 | L165 A166 K172 V173 M174 | L165-S170 PolarHBondContact O-N 3.29Å; A166-S170 CarbonylContact O-C 3.11Å; A166-S170 WeakPolarHBondContact O-CA 3.42Å; A166-S170 PolarHBondContact O-N 2.71Å; S170-K172 PolarHBondContact O-N 2.9Å; S170-K172 VanDerWaalsContact O-N 3.11Å; S170-V173 PolarHBondContact O-N 3.26Å; S170-V173 WeakPolarHBondContact OG-CG2 3.3Å; S170-V173 PolarHBondContact OG-N 3.02Å; S170-M174 PolarHBondContact O-N 2.89Å; S170-M174 VanDerWaalsContact O-N 3.16Å | ||
| 171 | F | 94.8 | Very high | 95 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.6 | -31.8 | 168.8 | -69.9 | -76.5 | 0 | 0 | 0 | 113.1 | I39 F40 E44 A166 M167 M174 Y175 | I39-F171 HydrophobicContact CB-CZ 4.22Å; I39-F171 HydrophobicContact CG2-CZ 3.88Å; F40-F171 HydrophobicContact CB-CD1 3.81Å; F40-F171 HydrophobicContact CB-CE1 3.69Å; F40-F171 HydrophobicContact CB-CG 4.42Å; F40-F171 HydrophobicContact CB-CZ 4.22Å; F40-F171 HydrophobicContact CD2-CB 3.75Å; F40-F171 AromaticContact CD2-CD1 3.79Å; F40-F171 HydrophobicContact CD2-CD1 3.79Å; F40-F171 HydrophobicContact CD2-CD2 4.14Å; F40-F171 HydrophobicContact CD2-CE1 4.42Å; F40-F171 AromaticContact CD2-CG 3.63Å; F40-F171 HydrophobicContact CD2-CG 3.63Å; F40-F171 HydrophobicContact CE2-CB 4.12Å; F40-F171 HydrophobicContact CE2-CG 4.45Å; F40-F171 HydrophobicContact CG-CD1 4.24Å; F40-F171 HydrophobicContact CG-CG 4.49Å; E44-F171 HydrophobicContact CG-CD2 3.65Å; E44-F171 HydrophobicContact CG-CE2 4.1Å; E44-F171 HydrophobicContact CG-CG 4.41Å; A166-F171 HydrophobicContact CB-CD1 3.82Å; A166-F171 HydrophobicContact CB-CE1 3.81Å; A166-F171 HydrophobicContact CB-CG 4.41Å; A166-F171 HydrophobicContact CB-CZ 4.37Å; M167-F171 HydrophobicContact CE-CZ 3.99Å; M167-F171 HydrophobicContact SD-CZ 4.2Å; F171-M174 HydrophobicContact CD1-CE 4.2Å; F171-M174 HydrophobicContact CD1-SD 4.43Å; F171-M174 PolarHBondContact O-N 3.32Å; F171-Y175 HydrophobicContact CB-CD2 4.44Å; F171-Y175 HydrophobicContact CB-CE2 4.48Å; F171-Y175 WeakPolarHBondContact O-CD2 3.34Å; F171-Y175 PolarHBondContact O-N 3.1Å |
| 172 | K | 96.4 | Very high | 95 | Very high | 98 Ų | 98 | 37.7 Ų | 37.7 | 43% | 0.426 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 175.8 | -56.2 | -169.4 | 179.1 | 165.8 | 0 | 111.5 | A99 S170 Y175 L176 | A99-K172 WeakPolarHBondContact O-CG 3.43Å; S170-K172 PolarHBondContact O-N 2.9Å; S170-K172 VanDerWaalsContact O-N 3.11Å; K172-Y175 PolarHBondContact O-N 2.8Å; K172-L176 WeakPolarHBondContact O-CB 3.47Å; K172-L176 VanDerWaalsContact O-CG 3.22Å; K172-L176 WeakPolarHBondContact O-CG 3.38Å; K172-L176 PolarHBondContact O-N 3.39Å |
| 173 | V | 96.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 32% | 0.315 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.9 | -41 | 178.8 | 173 | 0 | 0 | 0 | 0 | 110.9 | L165 F169 S170 L176 T177 | L165-V173 HydrophobicContact CD2-CG1 4.15Å; F169-V173 HydrophobicContact CB-CB 4.12Å; F169-V173 HydrophobicContact CB-CG1 4.24Å; F169-V173 HydrophobicContact CB-CG2 4.11Å; S170-V173 PolarHBondContact O-N 3.26Å; S170-V173 WeakPolarHBondContact OG-CG2 3.3Å; S170-V173 PolarHBondContact OG-N 3.02Å; V173-L176 PolarHBondContact O-N 3.28Å; V173-T177 WeakPolarHBondContact O-CB 3.5Å; V173-T177 PolarHBondContact O-N 2.76Å; V173-T177 PolarHBondContact O-OG1 3.15Å |
| 174 | M | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.3 | -52.3 | 175.5 | -176.6 | -159.8 | 78.6 | 0 | 0 | 111.9 | T36 A162 L165 A166 S170 F171 L176 T177 A178 | T36-M174 HydrophobicContact CG2-SD 3.79Å; T36-M174 WeakPolarHBondContact OG1-CE 3.2Å; T36-M174 PolarHBondContact OG1-SD 3.38Å; A162-M174 HydrophobicContact CB-SD 4.27Å; L165-M174 HydrophobicContact CB-CB 3.97Å; L165-M174 HydrophobicContact CB-CG 4.36Å; A166-M174 HydrophobicContact CB-CB 4.41Å; A166-M174 HydrophobicContact CB-SD 3.87Å; S170-M174 PolarHBondContact O-N 2.89Å; S170-M174 VanDerWaalsContact O-N 3.16Å; F171-M174 HydrophobicContact CD1-CE 4.2Å; F171-M174 HydrophobicContact CD1-SD 4.43Å; F171-M174 PolarHBondContact O-N 3.32Å; M174-L176 PolarHBondContact O-N 2.96Å; M174-T177 WeakPolarHBondContact O-CB 3.15Å; M174-T177 PolarHBondContact O-N 2.86Å; M174-A178 PolarHBondContact O-N 2.88Å |
| 175 | Y | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -36.8 | 178.9 | -78.8 | -64.7 | 0 | 0 | 0 | 112.6 | Q33 F40 C95 F98 F171 K172 T177 A178 A179 | Q33-Y175 HydrophobicContact CB-CE1 4.22Å; Q33-Y175 HydrophobicContact CG-CD1 3.92Å; Q33-Y175 HydrophobicContact CG-CE1 3.67Å; F40-Y175 HydrophobicContact CD1-CE2 4.27Å; F40-Y175 AromaticContact CD2-CE2 3.86Å; F40-Y175 HydrophobicContact CD2-CE2 3.86Å; F40-Y175 HydrophobicContact CE1-CE2 4.31Å; F40-Y175 AromaticContact CE2-CE2 3.9Å; F40-Y175 HydrophobicContact CE2-CE2 3.9Å; F40-Y175 HydrophobicContact CG-CE2 4.03Å; F40-Y175 HydrophobicContact CZ-CE2 4.12Å; C95-Y175 WeakPolarHBondContact CB-O 3.41Å; F98-Y175 HydrophobicContact CB-CD1 3.6Å; F98-Y175 HydrophobicContact CB-CD2 3.94Å; F98-Y175 HydrophobicContact CB-CE1 3.52Å; F98-Y175 HydrophobicContact CB-CE2 3.88Å; F98-Y175 HydrophobicContact CB-CG 3.83Å; F98-Y175 HydrophobicContact CD1-CE1 4Å; F98-Y175 HydrophobicContact CD1-CE2 4.34Å; F98-Y175 AromaticContact CD1-CZ 3.7Å; F98-Y175 WeakPolarHBondContact CD1-OH 3.35Å; F98-Y175 HydrophobicContact CG-CD1 4.37Å; F98-Y175 AromaticContact CG-CE1 3.85Å; F98-Y175 HydrophobicContact CG-CE1 3.85Å; F98-Y175 AromaticContact CG-CZ 3.96Å; F171-Y175 HydrophobicContact CB-CD2 4.44Å; F171-Y175 HydrophobicContact CB-CE2 4.48Å; F171-Y175 WeakPolarHBondContact O-CD2 3.34Å; F171-Y175 PolarHBondContact O-N 3.1Å; K172-Y175 PolarHBondContact O-N 2.8Å; Y175-T177 VanDerWaalsContact C-N 3.32Å; Y175-T177 PolarHBondContact O-N 2.96Å; Y175-A178 PolarHBondContact O-N 3.4Å; Y175-A179 PolarHBondContact O-N 3.47Å |
| 176 | L | 97.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 40 Ų | 40 | 31% | 0.314 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.5 | -36.3 | 173.5 | -73.1 | 174.8 | 0 | 0 | 0 | 112.3 | A99 W100 K172 V173 M174 A178 A179 I180 | A99-L176 HydrophobicContact CB-CD2 4.39Å; A99-L176 HydrophobicContact CB-CG 4.28Å; W100-L176 HydrophobicContact CH2-CD1 4.5Å; W100-L176 HydrophobicContact CH2-CD2 3.54Å; W100-L176 HydrophobicContact CZ2-CD2 4.35Å; W100-L176 HydrophobicContact CZ3-CD2 3.77Å; K172-L176 WeakPolarHBondContact O-CB 3.47Å; K172-L176 VanDerWaalsContact O-CG 3.22Å; K172-L176 WeakPolarHBondContact O-CG 3.38Å; K172-L176 PolarHBondContact O-N 3.39Å; V173-L176 PolarHBondContact O-N 3.28Å; M174-L176 PolarHBondContact O-N 2.96Å; L176-A178 VanDerWaalsContact C-N 3.35Å; L176-A179 WeakPolarHBondContact O-CB 3.42Å; L176-A179 PolarHBondContact O-N 2.88Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.24Å; L176-I180 PolarHBondContact O-N 3.21Å |
| 177 | T | 97.3 | Very high | 95.4 | Very high | 46 Ų | 46 | 44.1 Ų | 44.1 | 28% | 0.282 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 173.9 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | L32 L165 V173 M174 Y175 A179 I180 A181 | L32-T177 HydrophobicContact CD1-CG2 4.23Å; L165-T177 HydrophobicContact CD1-CG2 3.94Å; V173-T177 WeakPolarHBondContact O-CB 3.5Å; V173-T177 PolarHBondContact O-N 2.76Å; V173-T177 PolarHBondContact O-OG1 3.15Å; M174-T177 WeakPolarHBondContact O-CB 3.15Å; M174-T177 PolarHBondContact O-N 2.86Å; Y175-T177 VanDerWaalsContact C-N 3.32Å; Y175-T177 PolarHBondContact O-N 2.96Å; T177-A179 VanDerWaalsContact C-N 3.34Å; T177-A179 PolarHBondContact O-N 3.02Å; T177-I180 PolarHBondContact O-N 3.25Å; T177-A181 PolarHBondContact O-N 3.49Å |
| 178 | A | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L32 Q33 M174 Y175 L176 A181 F182 | L32-A178 HydrophobicContact CB-CB 4.34Å; L32-A178 HydrophobicContact CD1-CB 4.13Å; Q33-A178 HydrophobicContact CG-CB 4.33Å; M174-A178 PolarHBondContact O-N 2.88Å; Y175-A178 PolarHBondContact O-N 3.4Å; L176-A178 VanDerWaalsContact C-N 3.35Å; A178-A181 WeakPolarHBondContact O-CB 3.41Å; A178-A181 PolarHBondContact O-N 3.49Å; A178-F182 WeakPolarHBondContact O-CD2 3.33Å; A178-F182 PolarHBondContact O-N 2.85Å |
| 179 | A | 97.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C95 Y175 L176 T177 A181 F182 V183 | C95-A179 HydrophobicContact CB-CB 3.66Å; Y175-A179 PolarHBondContact O-N 3.47Å; L176-A179 WeakPolarHBondContact O-CB 3.42Å; L176-A179 PolarHBondContact O-N 2.88Å; T177-A179 VanDerWaalsContact C-N 3.34Å; T177-A179 PolarHBondContact O-N 3.02Å; A179-A181 VanDerWaalsContact C-N 3.33Å; A179-A181 PolarHBondContact O-N 2.82Å; A179-F182 PolarHBondContact O-N 3.45Å; A179-V183 WeakPolarHBondContact O-CG2 3.26Å; A179-V183 PolarHBondContact O-N 3.3Å |
| 180 | I | 97.2 | Very high | 95.8 | Very high | 105 Ų | 105 | 41 Ų | 41 | 54% | 0.538 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 175.6 | -68.2 | 165 | 0 | 0 | 0 | 110.4 | L176 T177 F182 V183 V184 | L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.24Å; L176-I180 PolarHBondContact O-N 3.21Å; T177-I180 PolarHBondContact O-N 3.25Å; I180-F182 VanDerWaalsContact C-N 3.3Å; I180-F182 PolarHBondContact O-N 3.29Å; I180-V183 PolarHBondContact O-N 3.43Å; I180-V183 VanDerWaalsContact O-N 3.13Å; I180-V184 HydrophobicContact CG2-CG2 4.17Å; I180-V184 WeakPolarHBondContact O-CG2 3.33Å; I180-V184 PolarHBondContact O-N 3.25Å |
| 181 | A | 95.5 | Very high | 95.7 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L25 I28 A29 T177 A178 A179 C185 | L25-A181 HydrophobicContact CD2-CB 4.48Å; I28-A181 HydrophobicContact CG2-CB 4.3Å; A29-A181 HydrophobicContact CB-CB 4.18Å; T177-A181 PolarHBondContact O-N 3.49Å; A178-A181 WeakPolarHBondContact O-CB 3.41Å; A178-A181 PolarHBondContact O-N 3.49Å; A179-A181 VanDerWaalsContact C-N 3.33Å; A179-A181 PolarHBondContact O-N 2.82Å; A181-C185 WeakPolarHBondContact O-CB 3.25Å; A181-C185 PolarHBondContact O-N 2.96Å |
| 182 | F | 95.7 | Very high | 95.5 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -36.5 | 173.7 | -81 | -61.3 | 0 | 0 | 0 | 113.8 | A29 V92 A118 A178 A179 I180 C185 G186 | A29-F182 HydrophobicContact CB-CD2 3.84Å; A29-F182 HydrophobicContact CB-CE1 4.21Å; A29-F182 HydrophobicContact CB-CE2 3.49Å; A29-F182 VanDerWaalsContact CB-CE2 3.49Å; A29-F182 HydrophobicContact CB-CG 4.34Å; A29-F182 HydrophobicContact CB-CZ 3.69Å; V92-F182 HydrophobicContact CG2-CB 3.65Å; A118-F182 HydrophobicContact CB-CE1 4.48Å; A118-F182 HydrophobicContact CB-CZ 4.14Å; A178-F182 WeakPolarHBondContact O-CD2 3.33Å; A178-F182 PolarHBondContact O-N 2.85Å; A179-F182 PolarHBondContact O-N 3.45Å; I180-F182 VanDerWaalsContact C-N 3.3Å; I180-F182 PolarHBondContact O-N 3.29Å; F182-C185 WeakPolarHBondContact O-CB 3.29Å; F182-G186 PolarHBondContact O-N 3.07Å |
| 183 | V | 97.1 | Very high | 95 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 50% | 0.497 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64 | -49.8 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | V92 A179 I180 C185 G186 L187 | V92-V183 HydrophobicContact CG1-CG2 4.26Å; V92-V183 HydrophobicContact CG2-CG2 3.6Å; A179-V183 WeakPolarHBondContact O-CG2 3.26Å; A179-V183 PolarHBondContact O-N 3.3Å; I180-V183 PolarHBondContact O-N 3.43Å; I180-V183 VanDerWaalsContact O-N 3.13Å; V183-C185 VanDerWaalsContact C-N 3.31Å; V183-C185 PolarHBondContact O-N 2.9Å; V183-G186 PolarHBondContact O-N 2.84Å; V183-L187 PolarHBondContact O-N 3.37Å |
| 184 | V | 96.7 | Very high | 94.4 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 178.5 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | L25 I180 L187 I188 | L25-V184 HydrophobicContact CD1-CB 4.44Å; L25-V184 HydrophobicContact CD1-CG1 3.86Å; I180-V184 HydrophobicContact CG2-CG2 4.17Å; I180-V184 WeakPolarHBondContact O-CG2 3.33Å; I180-V184 PolarHBondContact O-N 3.25Å; V184-L187 PolarHBondContact O-N 2.83Å; V184-I188 HydrophobicContact CG1-CD1 3.78Å; V184-I188 HydrophobicContact CG1-CG1 4.49Å; V184-I188 WeakPolarHBondContact O-CD1 3.36Å; V184-I188 VanDerWaalsContact O-CG1 3.28Å; V184-I188 WeakPolarHBondContact O-CG1 3.27Å; V184-I188 PolarHBondContact O-N 3.46Å |
| 185 | C | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.2 | -51.3 | 172.6 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | V22 L25 T26 C88 A181 F182 V183 L187 I188 V189 | V22-C185 VanDerWaalsContact CG1-SG 3.59Å; L25-C185 HydrophobicContact CB-CB 4.13Å; L25-C185 HydrophobicContact CD1-CB 4.35Å; T26-C185 WeakPolarHBondContact CG2-SG 3.14Å; C88-C185 PolarHBondContact SG-SG 3.24Å; A181-C185 WeakPolarHBondContact O-CB 3.25Å; A181-C185 PolarHBondContact O-N 2.96Å; F182-C185 WeakPolarHBondContact O-CB 3.29Å; V183-C185 VanDerWaalsContact C-N 3.31Å; V183-C185 PolarHBondContact O-N 2.9Å; C185-L187 VanDerWaalsContact C-N 3.31Å; C185-L187 PolarHBondContact O-N 3.36Å; C185-I188 PolarHBondContact O-N 3.44Å; C185-V189 WeakPolarHBondContact O-CG2 3.2Å; C185-V189 PolarHBondContact O-N 2.88Å |
| 186 | G | 94.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L85 F182 V183 V189 W190 | L85-G186 WeakPolarHBondContact CD2-O 3.47Å; F182-G186 PolarHBondContact O-N 3.07Å; V183-G186 PolarHBondContact O-N 2.84Å; G186-V189 PolarHBondContact O-N 3.28Å; G186-W190 VanDerWaalsContact O-CB 3.31Å; G186-W190 WeakPolarHBondContact O-CB 3.43Å; G186-W190 PolarHBondContact O-N 3.44Å |
| 187 | L | 95.7 | Very high | 90.8 | Very high | 92 Ų | 92 | 50 Ų | 50 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 176.4 | -173 | 67.1 | 0 | 0 | 0 | 111.7 | V183 V184 C185 W190 L191 | V183-L187 PolarHBondContact O-N 3.37Å; V184-L187 PolarHBondContact O-N 2.83Å; C185-L187 VanDerWaalsContact C-N 3.31Å; C185-L187 PolarHBondContact O-N 3.36Å; L187-W190 HydrophobicContact CD1-CE3 4.13Å; L187-W190 PolarHBondContact O-N 2.93Å; L187-L191 HydrophobicContact CD1-CD1 4.07Å; L187-L191 HydrophobicContact CD1-CG 4.36Å; L187-L191 HydrophobicContact CG-CD1 3.91Å; L187-L191 HydrophobicContact CG-CG 4.49Å; L187-L191 WeakPolarHBondContact O-CB 3.43Å; L187-L191 VanDerWaalsContact O-CG 3.31Å; L187-L191 WeakPolarHBondContact O-CG 3.38Å; L187-L191 PolarHBondContact O-N 3.12Å |
| 188 | I | 93.9 | Very high | 89.1 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176.8 | -67.6 | 159.7 | 0 | 0 | 0 | 110.6 | A18 L21 V22 L25 V184 C185 W190 L191 F192 | A18-I188 HydrophobicContact CB-CG2 3.87Å; L21-I188 HydrophobicContact CD2-CD1 3.49Å; L21-I188 VanDerWaalsContact CD2-CD1 3.49Å; L21-I188 HydrophobicContact CD2-CG1 4.48Å; L21-I188 HydrophobicContact CG-CD1 3.88Å; V22-I188 HydrophobicContact CG2-CB 4.11Å; V22-I188 HydrophobicContact CG2-CG2 3.61Å; L25-I188 HydrophobicContact CD1-CD1 3.54Å; V184-I188 HydrophobicContact CG1-CD1 3.78Å; V184-I188 HydrophobicContact CG1-CG1 4.49Å; V184-I188 WeakPolarHBondContact O-CD1 3.36Å; V184-I188 VanDerWaalsContact O-CG1 3.28Å; V184-I188 WeakPolarHBondContact O-CG1 3.27Å; V184-I188 PolarHBondContact O-N 3.46Å; C185-I188 PolarHBondContact O-N 3.44Å; I188-W190 VanDerWaalsContact C-N 3.3Å; I188-W190 PolarHBondContact O-N 2.94Å; I188-L191 PolarHBondContact O-N 3.3Å; I188-F192 HydrophobicContact CB-CD2 4.44Å; I188-F192 HydrophobicContact CG2-CD2 4.02Å; I188-F192 WeakPolarHBondContact O-CB 3.28Å; I188-F192 PolarHBondContact O-N 3.33Å |
| 189 | V | 92.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | V22 K81 I84 L85 C185 G186 L191 L193 | V22-V189 HydrophobicContact CG1-CG2 4.06Å; V22-V189 HydrophobicContact CG2-CG2 3.82Å; K81-V189 WeakPolarHBondContact CE-O 3.18Å; K81-V189 HydrophobicContact CG-CG1 4.09Å; K81-V189 PolarHBondContact NZ-O 2.98Å; I84-V189 HydrophobicContact CB-CG1 4.19Å; I84-V189 HydrophobicContact CG2-CB 4.38Å; I84-V189 HydrophobicContact CG2-CG1 3.85Å; I84-V189 HydrophobicContact CG2-CG2 3.68Å; L85-V189 HydrophobicContact CD2-CB 3.93Å; L85-V189 HydrophobicContact CD2-CG1 3.8Å; L85-V189 HydrophobicContact CG-CG1 3.86Å; C185-V189 WeakPolarHBondContact O-CG2 3.2Å; C185-V189 PolarHBondContact O-N 2.88Å; G186-V189 PolarHBondContact O-N 3.28Å; V189-L191 PolarHBondContact O-N 3.12Å; V189-L193 HydrophobicContact CB-CD2 4.3Å; V189-L193 HydrophobicContact CG1-CB 4.32Å; V189-L193 HydrophobicContact CG1-CD2 4.04Å; V189-L193 HydrophobicContact CG2-CD2 4.01Å; V189-L193 WeakPolarHBondContact O-CB 3.19Å; V189-L193 PolarHBondContact O-N 3.27Å |
| 190 | W | 93.3 | Very high | 84.5 | Confident | 161 Ų | 161 | 63.3 Ų | 63.3 | 61% | 0.61 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | -179 | -177.2 | 68.8 | 0 | 0 | 0 | 112.5 | K81 L85 G186 L187 I188 | K81-W190 WeakPolarHBondContact CE-O 3.32Å; K81-W190 PolarHBondContact NZ-O 3.45Å; L85-W190 HydrophobicContact CD1-CB 4.49Å; L85-W190 HydrophobicContact CD2-CB 3.96Å; G186-W190 VanDerWaalsContact O-CB 3.31Å; G186-W190 WeakPolarHBondContact O-CB 3.43Å; G186-W190 PolarHBondContact O-N 3.44Å; L187-W190 HydrophobicContact CD1-CE3 4.13Å; L187-W190 PolarHBondContact O-N 2.93Å; I188-W190 VanDerWaalsContact C-N 3.3Å; I188-W190 PolarHBondContact O-N 2.94Å |
| 191 | L | 92.8 | Very high | 81.8 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -80.7 | -41.7 | -176.2 | -69 | 174.8 | 0 | 0 | 0 | 114 | L187 I188 V189 | L187-L191 HydrophobicContact CD1-CD1 4.07Å; L187-L191 HydrophobicContact CD1-CG 4.36Å; L187-L191 HydrophobicContact CG-CD1 3.91Å; L187-L191 HydrophobicContact CG-CG 4.49Å; L187-L191 WeakPolarHBondContact O-CB 3.43Å; L187-L191 VanDerWaalsContact O-CG 3.31Å; L187-L191 WeakPolarHBondContact O-CG 3.38Å; L187-L191 PolarHBondContact O-N 3.12Å; I188-L191 PolarHBondContact O-N 3.3Å; V189-L191 PolarHBondContact O-N 3.12Å |
| 192 | F | 90.7 | Very high | 79.4 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 38% | 0.382 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -115.6 | -23.8 | -163.9 | -59.5 | -71.9 | 0 | 0 | 0 | 114.6 | L14 A18 I188 | L14-F192 HydrophobicContact CD2-CD1 3.57Å; L14-F192 HydrophobicContact CD2-CE1 3.59Å; L14-F192 HydrophobicContact CG-CD1 4.03Å; L14-F192 HydrophobicContact CG-CE1 4.24Å; A18-F192 HydrophobicContact CB-CB 3.61Å; A18-F192 HydrophobicContact CB-CG 4.35Å; I188-F192 HydrophobicContact CB-CD2 4.44Å; I188-F192 HydrophobicContact CG2-CD2 4.02Å; I188-F192 WeakPolarHBondContact O-CB 3.28Å; I188-F192 PolarHBondContact O-N 3.33Å |
| 193 | L | 86.7 | Confident | 76.6 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -80.6 | 138.3 | -179.1 | -90.5 | 60.3 | 0 | 0 | 0 | 111.4 | A18 F19 V22 K81 M125 L128 V189 | A18-L193 HydrophobicContact CB-CD1 3.76Å; F19-L193 HydrophobicContact CD1-CD2 4.3Å; F19-L193 HydrophobicContact CD1-CG 4.44Å; F19-L193 HydrophobicContact CE1-CD2 3.99Å; F19-L193 HydrophobicContact CE1-CG 4.11Å; F19-L193 HydrophobicContact CZ-CG 4.23Å; V22-L193 HydrophobicContact CG2-CD1 4.36Å; K81-L193 WeakPolarHBondContact CD-O 3.4Å; K81-L193 WeakPolarHBondContact CE-O 3.48Å; K81-L193 PolarHBondContact NZ-O 2.85Å; M125-L193 HydrophobicContact CE-CD2 3.77Å; M125-L193 HydrophobicContact SD-CD2 3.63Å; L128-L193 HydrophobicContact CD2-CB 4.44Å; L128-L193 HydrophobicContact CD2-CD2 3.93Å; L128-L193 HydrophobicContact CD2-CG 4.43Å; V189-L193 HydrophobicContact CB-CD2 4.3Å; V189-L193 HydrophobicContact CG1-CB 4.32Å; V189-L193 HydrophobicContact CG1-CD2 4.04Å; V189-L193 HydrophobicContact CG2-CD2 4.01Å; V189-L193 WeakPolarHBondContact O-CB 3.19Å; V189-L193 PolarHBondContact O-N 3.27Å |
| 194 | P | 82.6 | Confident | 73.7 | Confident | 37 Ų | 37 | 75.9 Ų | 75.9 | 24% | 0.24 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 144.7 | 177.7 | 30.3 | -34.4 | 0 | 0 | 0 | 111.1 | T15 I196 | T15-P194 HydrophobicContact CG2-CG 4.42Å; P194-I196 HydrophobicContact CB-CG1 4.3Å; P194-I196 HydrophobicContact CG-CD1 4.2Å; P194-I196 HydrophobicContact CG-CG1 4.39Å |
| 195 | S | 80.8 | Confident | 70.6 | Confident | 64 Ų | 64 | 80.6 Ų | 80.6 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 116.3 | 164 | 176.9 | 0 | 0 | 0 | 0 | 108 | D79 | D79-S195 PolarHBondContact OD1-OG 3.48Å; D79-S195 WeakPolarHBondContact OD2-CB 3.42Å; D79-S195 PolarHBondContact OD2-OG 3.12Å |
| 196 | I | 72 | Confident | 67.8 | Low | 7 Ų | 7 | 86.8 Ų | 86.8 | 4% | 0.036 | 47% | 0.466 | C | S | . | . | trans | -116.4 | 106.7 | 177.6 | -66.1 | 177.1 | 0 | 0 | 0 | 107.3 | L128 E131 H132 R135 P194 | L128-I196 HydrophobicContact CD1-CB 4.05Å; L128-I196 HydrophobicContact CD1-CD1 4Å; L128-I196 HydrophobicContact CD1-CG1 4.18Å; E131-I196 HydrophobicContact CB-CD1 4.31Å; E131-I196 HydrophobicContact CB-CG2 4.47Å; H132-I196 HydrophobicContact CB-CD1 4.25Å; R135-I196 VanDerWaalsContact CZ-CG2 3.45Å; P194-I196 HydrophobicContact CB-CG1 4.3Å; P194-I196 HydrophobicContact CG-CD1 4.2Å; P194-I196 HydrophobicContact CG-CG1 4.39Å | ||
| 197 | Q | 64.4 | Low | 65.2 | Low | 155 Ų | 155 | 91.3 Ų | 91.3 | 72% | 0.724 | 49% | 0.491 | S | S | * | . | trans | -73.4 | 130.6 | 167.7 | -70.7 | -177.8 | -4.7 | 0 | 0 | 109.3 | R135 | R135-Q197 PolarHBondContact NH2-O 3.43Š| ||
| 198 | R | 61.5 | Low | 62.3 | Low | 77 Ų | 77 | 95.6 Ų | 95.6 | 29% | 0.291 | 51% | 0.508 | S | S | . | . | trans | -84.9 | 124.8 | -174.8 | -155.3 | -178.8 | -165.2 | 178.7 | -2.9 | 110.7 | D75 E131 I200 | D75-R198 IonicContact OD1-CZ 2.73Å; D75-R198 IonicContact OD1-NH1 2.85Å; D75-R198 PolarHBondContact OD1-NH1 3.26Å; E131-R198 IonicContact OE1-CZ 2.71Å; E131-R198 IonicContact OE1-NE 3.3Å; E131-R198 PolarHBondContact OE1-NE 2.83Å; E131-R198 IonicContact OE1-NH2 3.7Å; R198-I200 HydrophobicContact CG-CD1 4.14Å; R198-I200 HydrophobicContact CG-CG1 3.88Å | ||
| 199 | N | 45.5 | Very low | 59.8 | Low | 161 Ų | 161 | 102.2 Ų | 102.2 | 86% | 0.861 | 54% | 0.542 | S | S | * | . | trans | -128.2 | 97.6 | 152.3 | -82.6 | -21.2 | 0 | 0 | 0 | 105.6 | ||||
| 200 | I | 50.6 | Low | 57.7 | Low | 93 Ų | 93 | 108.4 Ų | 108.4 | 48% | 0.477 | 57% | 0.574 | S | S | . | * | trans | -122 | 112.3 | 170.4 | -57.4 | -178.6 | 0 | 0 | 0 | 107.5 | R198 | R198-I200 HydrophobicContact CG-CD1 4.14Å; R198-I200 HydrophobicContact CG-CG1 3.88Å | ||
| 201 | P | 40.2 | Very low | 55.5 | Low | 107 Ų | 107 | 105 Ų | 105 | 70% | 0.695 | 57% | 0.573 | S | S | * | * | trans | -66.2 | 130.5 | 163.5 | -10.4 | 25.7 | 0 | 0 | 0 | 108.8 | V203 | P201-V203 PolarHBondContact O-N 3.02Š| ||
| 202 | V | 45.1 | Very low | 54.2 | Low | 126 Ų | 126 | 103.3 Ų | 103.3 | 76% | 0.764 | 57% | 0.569 | S | S | * | * | trans | -68.9 | 100.1 | 170.6 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | T204 | V202-T204 PolarHBondContact O-N 3.39Š| ||
| 203 | V | 38.2 | Very low | 53.1 | Low | 119 Ų | 119 | 103.5 Ų | 103.5 | 72% | 0.721 | 58% | 0.578 | S | S | * | * | trans | -83.3 | 97 | 165.6 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | P201 Q205 | P201-V203 PolarHBondContact O-N 3.02Å; V203-Q205 HydrophobicContact CG1-CG 4.19Å | ||
| 204 | T | 35.8 | Very low | 52.4 | Low | 121 Ų | 121 | 108.2 Ų | 108.2 | 74% | 0.742 | 60% | 0.599 | S | S | * | * | trans | -83.2 | 107.9 | 164.6 | -7.7 | 0 | 0 | 0 | 0 | 107.4 | V202 | V202-T204 PolarHBondContact O-N 3.39Š| ||
| 205 | Q | 32.1 | Very low | 52.2 | Low | 160 Ų | 160 | 109.7 Ų | 109.7 | 75% | 0.748 | 60% | 0.6 | S | S | * | * | trans | -80.7 | 131.7 | 166.6 | -76.7 | -178.4 | -15.6 | 0 | 0 | 109.3 | V203 | V203-Q205 HydrophobicContact CG1-CG 4.19Š| ||
| 206 | P | 34.6 | Very low | 52.4 | Low | 130 Ų | 130 | 112.7 Ų | 112.7 | 84% | 0.844 | 61% | 0.605 | S | S | * | * | trans | -76.1 | 131.5 | 168 | -2 | 19.3 | 0 | 0 | 0 | 109.2 | ||||
| 207 | V | 39.8 | Very low | 53.2 | Low | 107 Ų | 107 | 117.5 Ų | 117.5 | 65% | 0.648 | 62% | 0.623 | S | S | * | * | trans | -119.3 | 139.5 | 168.7 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 208 | E | 35.6 | Very low | 54.5 | Low | 181 Ų | 181 | 110.5 Ų | 110.5 | 85% | 0.846 | 59% | 0.59 | S | S | * | * | trans | -71.7 | 167.1 | -174.5 | -80 | -177.8 | 143.4 | 0 | 0 | 115.3 | ||||
| 209 | I | 42 | Very low | 56 | Low | 156 Ų | 156 | 107.6 Ų | 107.6 | 80% | 0.8 | 58% | 0.581 | S | S | * | * | trans | -105.4 | 136.4 | -141.3 | -60.2 | 163 | 0 | 0 | 0 | 113.7 | ||||
| 210 | L | 47.1 | Very low | 58.2 | Low | 130 Ų | 130 | 108.1 Ų | 108.1 | 68% | 0.681 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -127 | 153 | 149.1 | -87.6 | 161.3 | 0 | 0 | 0 | 109.7 | S212 R215 | L210-S212 PolarHBondContact O-N 3.1Å; L210-R215 PolarHBondContact O-NH2 3.31Å |
| 211 | P | 47 | Very low | 60.3 | Low | 90 Ų | 90 | 105.2 Ų | 105.2 | 58% | 0.584 | 56% | 0.556 | S | S | * | * | trans | -61.1 | 122.6 | -157.2 | -21.5 | 31.2 | 0 | 0 | 0 | 114.4 | T213 | P211-T213 VanDerWaalsContact C-N 3.25Å; P211-T213 PolarHBondContact O-N 3.26Å; P211-T213 VanDerWaalsContact O-N 3.11Å | ||
| 212 | S | 67.1 | Low | 63 | Low | 57 Ų | 57 | 100.1 Ų | 100.1 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -13.5 | -168.1 | 72.4 | 0 | 0 | 0 | 0 | 116.5 | L210 K216 | L210-S212 PolarHBondContact O-N 3.1Å; S212-K216 WeakPolarHBondContact O-CB 3.4Å; S212-K216 WeakPolarHBondContact O-CD 3.47Å; S212-K216 WeakPolarHBondContact O-CG 3.48Å; S212-K216 PolarHBondContact O-N 3.05Å; S212-K216 PolarHBondContact OG-NZ 3.29Å |
| 213 | T | 66.9 | Low | 65.4 | Low | 92 Ų | 92 | 96.6 Ų | 96.6 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -76.1 | -44.4 | -168.3 | 47.4 | 0 | 0 | 0 | 0 | 113.3 | P211 K216 R217 | P211-T213 VanDerWaalsContact C-N 3.25Å; P211-T213 PolarHBondContact O-N 3.26Å; P211-T213 VanDerWaalsContact O-N 3.11Å; T213-K216 PolarHBondContact O-N 2.95Å; T213-R217 PolarHBondContact O-N 3.22Å; T213-R217 VanDerWaalsContact O-N 3.08Å |
| 214 | H | 70.8 | Confident | 68.2 | Low | 102 Ų | 102 | 93.4 Ų | 93.4 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67 | -47.6 | 179.6 | -72.2 | -63.8 | 0 | 0 | 0 | 111.8 | K216 R217 D218 | H214-K216 VanDerWaalsContact C-N 3.32Å; H214-K216 PolarHBondContact O-N 2.98Å; H214-R217 WeakPolarHBondContact O-CB 3.39Å; H214-R217 PolarHBondContact O-N 3.16Å; H214-D218 PolarHBondContact O-N 2.94Å |
| 215 | R | 78.9 | Confident | 71.2 | Confident | 68 Ų | 68 | 87.7 Ų | 87.7 | 26% | 0.257 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -56.1 | -45 | 175.4 | -72 | -170.8 | -82.4 | 163.2 | 0.7 | 111.6 | L210 R217 D218 T219 E337 | L210-R215 PolarHBondContact O-NH2 3.31Å; R215-R217 VanDerWaalsContact C-N 3.35Å; R215-R217 PolarHBondContact O-N 3.45Å; R215-D218 PolarHBondContact O-N 2.9Å; R215-T219 WeakPolarHBondContact O-CB 3.15Å; R215-T219 PolarHBondContact O-N 3.4Å; R215-T219 PolarHBondContact O-OG1 2.89Å; R215-E337 IonicContact CZ-OE1 2.55Å; R215-E337 IonicContact NH1-OE1 2.63Å; R215-E337 PolarHBondContact NH1-OE1 3.37Å; R215-E337 IonicContact NH2-OE1 3.2Å; R215-E337 PolarHBondContact NH2-OE1 3.26Å |
| 216 | K | 85.2 | Confident | 74.3 | Confident | 128 Ų | 128 | 80 Ų | 80 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.6 | -35.2 | 175.8 | -75.6 | 171.6 | -177.2 | 169.6 | 0 | 113.8 | S212 T213 H214 R220 | S212-K216 WeakPolarHBondContact O-CB 3.4Å; S212-K216 WeakPolarHBondContact O-CD 3.47Å; S212-K216 WeakPolarHBondContact O-CG 3.48Å; S212-K216 PolarHBondContact O-N 3.05Å; S212-K216 PolarHBondContact OG-NZ 3.29Å; T213-K216 PolarHBondContact O-N 2.95Å; H214-K216 VanDerWaalsContact C-N 3.32Å; H214-K216 PolarHBondContact O-N 2.98Å; K216-R220 VanDerWaalsContact O-CG 3.29Å; K216-R220 WeakPolarHBondContact O-CG 3.42Å; K216-R220 PolarHBondContact O-N 2.94Å; K216-R220 PolarHBondContact O-NE 2.73Å; K216-R220 VanDerWaalsContact O-NE 3.15Å |
| 217 | R | 90 | Very high | 77.3 | Confident | 107 Ų | 107 | 74 Ų | 74 | 40% | 0.404 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.6 | -48.8 | 174.4 | -179 | -173.3 | 176.6 | -135.5 | 4.5 | 110 | T213 H214 R215 T219 R220 L221 | T213-R217 PolarHBondContact O-N 3.22Å; T213-R217 VanDerWaalsContact O-N 3.08Å; H214-R217 WeakPolarHBondContact O-CB 3.39Å; H214-R217 PolarHBondContact O-N 3.16Å; R215-R217 VanDerWaalsContact C-N 3.35Å; R215-R217 PolarHBondContact O-N 3.45Å; R217-T219 PolarHBondContact O-N 3.23Å; R217-R220 WeakPolarHBondContact O-CB 3.41Å; R217-R220 PolarHBondContact O-N 2.73Å; R217-R220 VanDerWaalsContact O-N 3.12Å; R217-L221 HydrophobicContact CG-CD1 4.14Å; R217-L221 PolarHBondContact O-N 3.31Å |
| 218 | D | 91.3 | Very high | 80 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 4% | 0.043 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.9 | -37.6 | -175.5 | -66.7 | -2.1 | 0 | 0 | 0 | 111.4 | H214 R215 R220 L221 L222 L334 I391 | H214-D218 PolarHBondContact O-N 2.94Å; R215-D218 PolarHBondContact O-N 2.9Å; D218-R220 VanDerWaalsContact C-N 3.34Å; D218-R220 PolarHBondContact O-N 3.32Å; D218-L221 PolarHBondContact O-N 2.98Å; D218-L222 WeakPolarHBondContact O-CB 2.92Å; D218-L222 PolarHBondContact O-N 2.92Å; D218-L334 HydrophobicContact CB-CD1 4.45Å; D218-L334 HydrophobicContact CB-CD2 3.68Å; D218-I391 HydrophobicContact CB-CG2 4.1Å |
| 219 | T | 91.5 | Very high | 83 | Confident | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 170.5 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | R215 R217 F223 F331 M335 L345 | R215-T219 WeakPolarHBondContact O-CB 3.15Å; R215-T219 PolarHBondContact O-N 3.4Å; R215-T219 PolarHBondContact O-OG1 2.89Å; R217-T219 PolarHBondContact O-N 3.23Å; T219-F223 WeakPolarHBondContact O-CB 3.49Å; T219-F223 PolarHBondContact O-N 3.48Å; T219-F331 HydrophobicContact CG2-CD1 4.18Å; T219-F331 HydrophobicContact CG2-CE1 4.09Å; T219-M335 HydrophobicContact CG2-CG 4.2Å; T219-M335 HydrophobicContact CG2-SD 3.7Å; T219-L345 HydrophobicContact CG2-CD2 3.52Å |
| 220 | R | 93.1 | Very high | 85.6 | Confident | 172 Ų | 172 | 56.3 Ų | 56.3 | 65% | 0.649 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -69.1 | -41.6 | 177.2 | -76.4 | -177.8 | -65.9 | 163 | 0.7 | 111.7 | K216 R217 D218 F223 V224 | K216-R220 VanDerWaalsContact O-CG 3.29Å; K216-R220 WeakPolarHBondContact O-CG 3.42Å; K216-R220 PolarHBondContact O-N 2.94Å; K216-R220 PolarHBondContact O-NE 2.73Å; K216-R220 VanDerWaalsContact O-NE 3.15Å; R217-R220 WeakPolarHBondContact O-CB 3.41Å; R217-R220 PolarHBondContact O-N 2.73Å; R217-R220 VanDerWaalsContact O-N 3.12Å; D218-R220 VanDerWaalsContact C-N 3.34Å; D218-R220 PolarHBondContact O-N 3.32Å; R220-F223 WeakPolarHBondContact O-CB 3.45Å; R220-F223 PolarHBondContact O-N 3.02Å; R220-V224 PolarHBondContact O-N 3.24Å; R220-V224 VanDerWaalsContact O-N 3.11Å |
| 221 | L | 95.2 | Very high | 88 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 174.1 | -71.7 | 172.8 | 0 | 0 | 0 | 110.4 | R217 D218 F223 V224 V225 C387 F390 I391 | R217-L221 HydrophobicContact CG-CD1 4.14Å; R217-L221 PolarHBondContact O-N 3.31Å; D218-L221 PolarHBondContact O-N 2.98Å; L221-F223 VanDerWaalsContact C-N 3.27Å; L221-F223 PolarHBondContact O-N 3.09Å; L221-V224 WeakPolarHBondContact O-CA 3.37Å; L221-V224 WeakPolarHBondContact O-CB 3.2Å; L221-V224 PolarHBondContact O-N 3.29Å; L221-V225 VanDerWaalsContact O-CG2 3.3Å; L221-V225 WeakPolarHBondContact O-CG2 3.38Å; L221-V225 PolarHBondContact O-N 2.9Å; L221-C387 HydrophobicContact CD2-CB 4.39Å; L221-F390 HydrophobicContact CD1-CB 3.99Å; L221-I391 HydrophobicContact CB-CD1 3.9Å; L221-I391 HydrophobicContact CB-CG1 3.72Å; L221-I391 HydrophobicContact CD1-CG1 4.12Å |
| 222 | L | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -36.2 | 177.2 | -172.9 | 64.6 | 0 | 0 | 0 | 112 | D218 V224 V225 C226 Y330 F331 L334 I391 | D218-L222 WeakPolarHBondContact O-CB 2.92Å; D218-L222 PolarHBondContact O-N 2.92Å; L222-V224 VanDerWaalsContact C-N 3.35Å; L222-V224 PolarHBondContact O-N 3Å; L222-V225 PolarHBondContact O-N 3.4Å; L222-C226 WeakPolarHBondContact O-CB 3.41Å; L222-C226 PolarHBondContact O-N 3.37Å; L222-Y330 HydrophobicContact CD1-CD1 3.95Å; L222-Y330 HydrophobicContact CD1-CE1 4.46Å; L222-Y330 HydrophobicContact CD1-CG 4.26Å; L222-Y330 HydrophobicContact CD2-CD1 4.39Å; L222-Y330 HydrophobicContact CD2-CD2 4.23Å; L222-Y330 HydrophobicContact CD2-CG 3.86Å; L222-F331 HydrophobicContact CB-CE1 4.34Å; L222-F331 HydrophobicContact CB-CZ 4.12Å; L222-F331 HydrophobicContact CD2-CB 4.44Å; L222-F331 HydrophobicContact CD2-CD1 4.02Å; L222-F331 HydrophobicContact CD2-CD2 3.62Å; L222-F331 HydrophobicContact CD2-CE1 4.1Å; L222-F331 HydrophobicContact CD2-CE2 3.72Å; L222-F331 HydrophobicContact CD2-CG 3.77Å; L222-F331 HydrophobicContact CD2-CZ 3.95Å; L222-F331 HydrophobicContact CG-CD2 4.11Å; L222-F331 HydrophobicContact CG-CE1 4.22Å; L222-F331 HydrophobicContact CG-CE2 3.67Å; L222-F331 HydrophobicContact CG-CZ 3.73Å; L222-L334 HydrophobicContact CB-CD1 4.17Å; L222-L334 HydrophobicContact CD2-CD1 3.62Å; L222-I391 HydrophobicContact CB-CD1 3.95Å; L222-I391 HydrophobicContact CD1-CD1 4.31Å |
| 223 | F | 95.9 | Very high | 91.8 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 23% | 0.228 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 171.7 | -171.3 | -89.3 | 0 | 0 | 0 | 112.3 | T219 R220 L221 S227 F331 L345 N348 T349 V352 | T219-F223 WeakPolarHBondContact O-CB 3.49Å; T219-F223 PolarHBondContact O-N 3.48Å; R220-F223 WeakPolarHBondContact O-CB 3.45Å; R220-F223 PolarHBondContact O-N 3.02Å; L221-F223 VanDerWaalsContact C-N 3.27Å; L221-F223 PolarHBondContact O-N 3.09Å; F223-S227 WeakPolarHBondContact O-CB 3.37Å; F223-S227 PolarHBondContact O-N 3.06Å; F223-S227 PolarHBondContact O-OG 3.5Å; F223-F331 HydrophobicContact CB-CE1 4.41Å; F223-F331 HydrophobicContact CB-CZ 4.23Å; F223-L345 HydrophobicContact CD2-CD1 3.51Å; F223-L345 HydrophobicContact CD2-CG 3.8Å; F223-L345 HydrophobicContact CE2-CD1 3.59Å; F223-L345 HydrophobicContact CE2-CG 4.23Å; F223-N348 HydrophobicContact CE2-CB 4.26Å; F223-T349 HydrophobicContact CD2-CG2 3.38Å; F223-T349 HydrophobicContact CE2-CG2 3.55Å; F223-T349 HydrophobicContact CG-CG2 4.02Å; F223-T349 HydrophobicContact CZ-CG2 4.32Å; F223-V352 HydrophobicContact CE1-CG2 4.35Å; F223-V352 HydrophobicContact CZ-CG2 3.92Å |
| 224 | V | 97.2 | Very high | 93.1 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 32% | 0.321 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.2 | -47 | 174.6 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | R220 L221 L222 C226 S227 M228 | R220-V224 PolarHBondContact O-N 3.24Å; R220-V224 VanDerWaalsContact O-N 3.11Å; L221-V224 WeakPolarHBondContact O-CA 3.37Å; L221-V224 WeakPolarHBondContact O-CB 3.2Å; L221-V224 PolarHBondContact O-N 3.29Å; L222-V224 VanDerWaalsContact C-N 3.35Å; L222-V224 PolarHBondContact O-N 3Å; V224-C226 PolarHBondContact O-N 3.44Å; V224-S227 PolarHBondContact O-N 3.02Å; V224-M228 HydrophobicContact CG1-CG 4.27Å; V224-M228 WeakPolarHBondContact O-CB 3.41Å; V224-M228 VanDerWaalsContact O-CG 3.28Å; V224-M228 WeakPolarHBondContact O-CG 3.45Å; V224-M228 PolarHBondContact O-N 3.12Å |
| 225 | V | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53.9 | -58.1 | 178.4 | 173.1 | 0 | 0 | 0 | 0 | 111 | L221 L222 S227 M228 M229 M286 I290 A384 C387 L388 I391 | L221-V225 VanDerWaalsContact O-CG2 3.3Å; L221-V225 WeakPolarHBondContact O-CG2 3.38Å; L221-V225 PolarHBondContact O-N 2.9Å; L222-V225 PolarHBondContact O-N 3.4Å; V225-S227 VanDerWaalsContact C-N 3.34Å; V225-S227 PolarHBondContact O-N 3.4Å; V225-M228 PolarHBondContact O-N 3.06Å; V225-M229 HydrophobicContact CG1-SD 3.76Å; V225-M229 VanDerWaalsContact O-CG 3.29Å; V225-M229 WeakPolarHBondContact O-CG 3.45Å; V225-M229 PolarHBondContact O-N 2.98Å; V225-M286 HydrophobicContact CG1-CE 4.2Å; V225-I290 HydrophobicContact CG1-CD1 4.41Å; V225-A384 HydrophobicContact CG1-CB 4.23Å; V225-A384 WeakPolarHBondContact CG2-O 3.38Å; V225-C387 HydrophobicContact CG2-CB 3.61Å; V225-L388 HydrophobicContact CG1-CB 4.39Å; V225-L388 HydrophobicContact CG2-CB 3.97Å; V225-I391 HydrophobicContact CG2-CD1 4.41Å |
| 226 | C | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.5 | -35.6 | -178 | -71.2 | 0 | 0 | 0 | 0 | 112.2 | L222 V224 M228 M229 W230 L323 F331 T349 | L222-C226 WeakPolarHBondContact O-CB 3.41Å; L222-C226 PolarHBondContact O-N 3.37Å; V224-C226 PolarHBondContact O-N 3.44Å; C226-M228 VanDerWaalsContact C-N 3.34Å; C226-M228 PolarHBondContact O-N 3.14Å; C226-M229 PolarHBondContact O-N 3.39Å; C226-W230 WeakPolarHBondContact O-CB 3.39Å; C226-W230 PolarHBondContact O-N 3.45Å; C226-L323 HydrophobicContact CB-CD1 4.31Å; C226-F331 HydrophobicContact CB-CE2 4.18Å; C226-T349 HydrophobicContact CB-CG2 3.85Å |
| 227 | S | 97.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | 177.3 | -59 | 0 | 0 | 0 | 0 | 111.7 | F223 V224 V225 A231 T349 | F223-S227 WeakPolarHBondContact O-CB 3.37Å; F223-S227 PolarHBondContact O-N 3.06Å; F223-S227 PolarHBondContact O-OG 3.5Å; V224-S227 PolarHBondContact O-N 3.02Å; V225-S227 VanDerWaalsContact C-N 3.34Å; V225-S227 PolarHBondContact O-N 3.4Å; S227-A231 VanDerWaalsContact O-CB 3.25Å; S227-A231 WeakPolarHBondContact O-CB 3.48Å; S227-A231 PolarHBondContact O-N 3.2Å; S227-T349 WeakPolarHBondContact OG-CB 3.39Å |
| 228 | M | 97.7 | Very high | 95.2 | Very high | 37 Ų | 37 | 22.1 Ų | 22.1 | 18% | 0.182 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.2 | -39.3 | 176.5 | -69.1 | -61.9 | 143.4 | 0 | 0 | 112.2 | V224 V225 C226 A231 A232 I356 M380 I383 A384 | V224-M228 HydrophobicContact CG1-CG 4.27Å; V224-M228 WeakPolarHBondContact O-CB 3.41Å; V224-M228 VanDerWaalsContact O-CG 3.28Å; V224-M228 WeakPolarHBondContact O-CG 3.45Å; V224-M228 PolarHBondContact O-N 3.12Å; V225-M228 PolarHBondContact O-N 3.06Å; C226-M228 VanDerWaalsContact C-N 3.34Å; C226-M228 PolarHBondContact O-N 3.14Å; M228-A231 PolarHBondContact O-N 3.32Å; M228-A232 PolarHBondContact O-N 3.47Å; M228-I356 HydrophobicContact CE-CD1 3.74Å; M228-M380 HydrophobicContact CB-CB 4.43Å; M228-M380 HydrophobicContact SD-CB 4.41Å; M228-M380 HydrophobicContact SD-CG 4.32Å; M228-I383 HydrophobicContact CG-CG2 4.37Å; M228-A384 HydrophobicContact CB-CB 4.09Å |
| 229 | M | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 173.4 | -67.8 | 170.7 | 75.4 | 0 | 0 | 111.3 | V225 C226 A231 A232 N233 M286 A289 I290 F319 L323 L381 A384 | V225-M229 HydrophobicContact CG1-SD 3.76Å; V225-M229 VanDerWaalsContact O-CG 3.29Å; V225-M229 WeakPolarHBondContact O-CG 3.45Å; V225-M229 PolarHBondContact O-N 2.98Å; C226-M229 PolarHBondContact O-N 3.39Å; M229-A231 VanDerWaalsContact C-N 3.33Å; M229-A231 PolarHBondContact O-N 2.91Å; M229-A232 PolarHBondContact O-N 2.92Å; M229-N233 PolarHBondContact O-N 3.45Å; M229-M286 HydrophobicContact CE-CE 3.84Å; M229-M286 HydrophobicContact SD-CE 3.51Å; M229-M286 VanDerWaalsContact SD-CE 3.51Å; M229-A289 HydrophobicContact CE-CB 3.9Å; M229-I290 HydrophobicContact CE-CG1 3.93Å; M229-I290 HydrophobicContact CG-CG1 4.22Å; M229-I290 HydrophobicContact SD-CD1 4.22Å; M229-I290 HydrophobicContact SD-CG1 3.87Å; M229-F319 HydrophobicContact CB-CE2 3.9Å; M229-F319 HydrophobicContact CB-CZ 3.99Å; M229-F319 HydrophobicContact CE-CD2 3.94Å; M229-F319 HydrophobicContact CE-CE2 3.51Å; M229-F319 HydrophobicContact CG-CE2 4.06Å; M229-F319 WeakPolarHBondContact O-CZ 3.31Å; M229-L323 HydrophobicContact CB-CD1 4.06Å; M229-L323 HydrophobicContact CB-CD2 3.87Å; M229-L323 HydrophobicContact CE-CB 4.07Å; M229-L323 HydrophobicContact CE-CD1 3.87Å; M229-L323 HydrophobicContact CE-CG 4.36Å; M229-L323 HydrophobicContact SD-CD1 3.97Å; M229-L381 HydrophobicContact CB-CD2 4.36Å; M229-L381 HydrophobicContact CG-CD2 3.88Å; M229-A384 HydrophobicContact CG-CB 4.08Å |
| 230 | W | 97.1 | Very high | 95 | Very high | 36 Ų | 36 | 21.2 Ų | 21.2 | 14% | 0.136 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.7 | -36 | 174.1 | -82.3 | 116.5 | 0 | 0 | 0 | 112.5 | C226 N233 N234 L323 Y346 S350 | C226-W230 WeakPolarHBondContact O-CB 3.39Å; C226-W230 PolarHBondContact O-N 3.45Å; W230-N233 HydrophobicContact CE3-CB 4.5Å; W230-N233 PolarHBondContact O-N 3.32Å; W230-N234 VanDerWaalsContact O-CB 3.28Å; W230-N234 WeakPolarHBondContact O-CB 3.49Å; W230-N234 PolarHBondContact O-N 3.44Å; W230-N234 PolarHBondContact O-ND2 2.97Å; W230-N234 VanDerWaalsContact O-ND2 3.12Å; W230-L323 HydrophobicContact CD2-CD2 3.88Å; W230-L323 HydrophobicContact CE3-CD2 4.42Å; W230-L323 HydrophobicContact CG-CD2 4.09Å; W230-L323 HydrophobicContact CZ2-CD2 4.23Å; W230-L323 HydrophobicContact CZ2-CG 4.35Å; W230-Y346 WeakPolarHBondContact CZ2-OH 3.46Å; W230-Y346 AromaticContact NE1-CZ 3.88Å; W230-S350 VanDerWaalsContact CG-CA 3.48Å |
| 231 | A | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S227 M228 M229 N233 N234 L235 G353 I356 M380 | S227-A231 VanDerWaalsContact O-CB 3.25Å; S227-A231 WeakPolarHBondContact O-CB 3.48Å; S227-A231 PolarHBondContact O-N 3.2Å; M228-A231 PolarHBondContact O-N 3.32Å; M229-A231 VanDerWaalsContact C-N 3.33Å; M229-A231 PolarHBondContact O-N 2.91Å; A231-N233 PolarHBondContact O-N 2.83Å; A231-N234 PolarHBondContact O-N 3.32Å; A231-L235 VanDerWaalsContact O-CB 3.23Å; A231-L235 WeakPolarHBondContact O-CB 3.23Å; A231-L235 PolarHBondContact O-N 2.88Å; A231-G353 WeakPolarHBondContact CA-O 3.32Å; A231-I356 HydrophobicContact CB-CB 3.95Å; A231-I356 HydrophobicContact CB-CD1 4.49Å; A231-I356 HydrophobicContact CB-CG2 3.82Å; A231-M380 HydrophobicContact CB-CE 4.44Å; A231-M380 HydrophobicContact CB-SD 3.7Å |
| 232 | A | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | M228 M229 L235 Y236 Y297 A377 M380 L381 | M228-A232 PolarHBondContact O-N 3.47Å; M229-A232 PolarHBondContact O-N 2.92Å; A232-L235 WeakPolarHBondContact O-CB 3.28Å; A232-L235 PolarHBondContact O-N 3.46Å; A232-Y236 PolarHBondContact O-N 3.21Å; A232-Y236 VanDerWaalsContact O-N 3.1Å; A232-Y297 HydrophobicContact CB-CE2 3.9Å; A232-Y297 PolarHBondContact O-OH 3.33Å; A232-Y297 VanDerWaalsContact O-OH 3.05Å; A232-A377 HydrophobicContact CB-CB 3.98Å; A232-M380 HydrophobicContact CB-CB 4.46Å; A232-L381 HydrophobicContact CB-CD2 4.26Å; A232-L381 HydrophobicContact CB-CG 4.18Å |
| 233 | N | 96.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 12.1 Ų | 12.1 | 6% | 0.059 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.8 | -47 | 176.5 | 174.6 | -111.5 | 0 | 0 | 0 | 112.9 | M229 W230 A231 L235 Y236 M237 Y297 F319 L320 | M229-N233 PolarHBondContact O-N 3.45Å; W230-N233 HydrophobicContact CE3-CB 4.5Å; W230-N233 PolarHBondContact O-N 3.32Å; A231-N233 PolarHBondContact O-N 2.83Å; N233-L235 VanDerWaalsContact C-N 3.32Å; N233-L235 PolarHBondContact O-N 3.1Å; N233-Y236 WeakPolarHBondContact O-CB 3.36Å; N233-Y236 PolarHBondContact O-N 2.95Å; N233-M237 PolarHBondContact O-N 2.89Å; N233-Y297 WeakPolarHBondContact CA-OH 3.25Å; N233-Y297 PolarHBondContact N-OH 3.38Å; N233-F319 HydrophobicContact CB-CE1 4.04Å; N233-L320 HydrophobicContact CB-CD2 3.93Å; N233-L320 VanDerWaalsContact CG-CD2 3.48Å; N233-L320 WeakPolarHBondContact ND2-CD1 3.48Å; N233-L320 WeakPolarHBondContact ND2-CD2 3.49Å |
| 234 | N | 94.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.5 | -34.5 | -179.3 | -68.1 | -28.2 | 0 | 0 | 0 | 111.3 | W230 A231 Y236 M237 I238 S350 W354 A357 | W230-N234 VanDerWaalsContact O-CB 3.28Å; W230-N234 WeakPolarHBondContact O-CB 3.49Å; W230-N234 PolarHBondContact O-N 3.44Å; W230-N234 PolarHBondContact O-ND2 2.97Å; W230-N234 VanDerWaalsContact O-ND2 3.12Å; A231-N234 PolarHBondContact O-N 3.32Å; N234-Y236 VanDerWaalsContact C-N 3.3Å; N234-Y236 PolarHBondContact O-N 3.15Å; N234-M237 PolarHBondContact O-N 2.86Å; N234-I238 VanDerWaalsContact O-CG1 3.24Å; N234-I238 WeakPolarHBondContact O-CG1 3.34Å; N234-I238 PolarHBondContact O-N 3.29Å; N234-S350 PolarHBondContact ND2-O 3.08Å; N234-W354 HydrophobicContact CB-CD2 3.88Å; N234-W354 HydrophobicContact CB-CE3 3.85Å; N234-W354 HydrophobicContact CB-CG 4.38Å; N234-W354 HydrophobicContact CB-CZ3 4.24Å; N234-W354 VanDerWaalsContact ND2-CG 3.26Å; N234-W354 PolarHBondContact ND2-N 3.48Å; N234-W354 VanDerWaalsContact ND2-N 3.12Å; N234-W354 PolarHBondContact ND2-NE1 2.82Å; N234-W354 PolarHBondContact OD1-NE1 3.44Å; N234-A357 HydrophobicContact CB-CB 3.67Å |
| 235 | L | 93.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 9.2 Ų | 9.2 | 2% | 0.016 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -58.2 | -46.5 | 173.2 | -168.6 | 73 | 0 | 0 | 0 | 110.5 | A231 A232 N233 N239 A357 D361 L373 L376 A377 | A231-L235 VanDerWaalsContact O-CB 3.23Å; A231-L235 WeakPolarHBondContact O-CB 3.23Å; A231-L235 PolarHBondContact O-N 2.88Å; A232-L235 WeakPolarHBondContact O-CB 3.28Å; A232-L235 PolarHBondContact O-N 3.46Å; N233-L235 VanDerWaalsContact C-N 3.32Å; N233-L235 PolarHBondContact O-N 3.1Å; L235-N239 PolarHBondContact O-N 3.1Å; L235-N239 PolarHBondContact O-ND2 3.4Å; L235-A357 HydrophobicContact CB-CB 4.23Å; L235-A357 HydrophobicContact CD1-CB 4.46Å; L235-D361 HydrophobicContact CD1-CB 3.76Å; L235-L373 HydrophobicContact CD1-CD2 3.95Å; L235-L373 HydrophobicContact CD2-CB 4.09Å; L235-L373 HydrophobicContact CD2-CD2 4.19Å; L235-L373 WeakPolarHBondContact CD2-O 3.31Å; L235-L373 HydrophobicContact CG-CB 4.44Å; L235-L373 HydrophobicContact CG-CD2 4.21Å; L235-L376 HydrophobicContact CD2-CD2 3.96Å; L235-L376 HydrophobicContact CD2-CG 4.33Å; L235-A377 HydrophobicContact CD2-CB 4.33Å |
| 236 | Y | 93.3 | Very high | 91.9 | Very high | 15 Ų | 15 | 13.2 Ų | 13.2 | 6% | 0.059 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 172.9 | 172.8 | -104.9 | 0 | 0 | 0 | 112.1 | A232 N233 N234 I238 N239 M240 M258 F296 Y297 F374 | A232-Y236 PolarHBondContact O-N 3.21Å; A232-Y236 VanDerWaalsContact O-N 3.1Å; N233-Y236 WeakPolarHBondContact O-CB 3.36Å; N233-Y236 PolarHBondContact O-N 2.95Å; N234-Y236 VanDerWaalsContact C-N 3.3Å; N234-Y236 PolarHBondContact O-N 3.15Å; Y236-I238 VanDerWaalsContact C-N 3.3Å; Y236-I238 PolarHBondContact O-N 3.31Å; Y236-N239 PolarHBondContact O-N 3.39Å; Y236-M240 HydrophobicContact CD1-CB 4.42Å; Y236-M240 HydrophobicContact CD2-CB 3.96Å; Y236-M240 HydrophobicContact CE1-CB 4.12Å; Y236-M240 HydrophobicContact CE1-CG 4.11Å; Y236-M240 HydrophobicContact CE2-CB 3.65Å; Y236-M240 HydrophobicContact CE2-CG 3.72Å; Y236-M240 HydrophobicContact CG-CB 4.35Å; Y236-M240 VanDerWaalsContact CZ-CG 3.48Å; Y236-M240 WeakPolarHBondContact O-CA 3.4Å; Y236-M240 WeakPolarHBondContact O-CB 3.33Å; Y236-M240 PolarHBondContact O-N 3.49Å; Y236-M240 WeakPolarHBondContact OH-CG 3.22Å; Y236-M258 VanDerWaalsContact OH-CE 3.22Å; Y236-M258 WeakPolarHBondContact OH-CE 3.17Å; Y236-F296 HydrophobicContact CD1-CE1 4.27Å; Y236-F296 HydrophobicContact CD2-CE1 4.17Å; Y236-F296 HydrophobicContact CE1-CE1 4.07Å; Y236-F296 AromaticContact CE1-CZ 3.97Å; Y236-F296 HydrophobicContact CE1-CZ 3.97Å; Y236-F296 AromaticContact CE2-CE1 3.94Å; Y236-F296 HydrophobicContact CE2-CE1 3.94Å; Y236-F296 AromaticContact CE2-CZ 3.83Å; Y236-F296 HydrophobicContact CE2-CZ 3.83Å; Y236-F296 HydrophobicContact CG-CE1 4.31Å; Y236-F296 AromaticContact CZ-CE1 3.89Å; Y236-F296 AromaticContact CZ-CZ 3.52Å; Y236-Y297 HydrophobicContact CD2-CE1 4.11Å; Y236-Y297 AromaticContact CG-CE1 3.95Å; Y236-Y297 HydrophobicContact CG-CE1 3.95Å; Y236-F374 AromaticContact CD2-CE1 3.85Å; Y236-F374 HydrophobicContact CD2-CE1 3.85Å; Y236-F374 HydrophobicContact CE2-CE1 4.27Å |
| 237 | M | 90.9 | Very high | 91.1 | Very high | 25 Ų | 25 | 17.3 Ų | 17.3 | 12% | 0.123 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.1 | -32.5 | -177.2 | -168.7 | 163.4 | 66.5 | 0 | 0 | 113.5 | T34 W155 N233 N234 W354 | T34-M237 HydrophobicContact CG2-CE 4.26Å; W155-M237 HydrophobicContact CH2-CE 4.48Å; W155-M237 HydrophobicContact CH2-SD 4.08Å; W155-M237 HydrophobicContact CZ3-SD 4.03Å; N233-M237 PolarHBondContact O-N 2.89Å; N234-M237 PolarHBondContact O-N 2.86Å; M237-W354 HydrophobicContact CE-CH2 3.15Å; M237-W354 HydrophobicContact CE-CZ2 2.96Å; M237-W354 HydrophobicContact CE-CZ3 4.32Å |
| 238 | I | 90.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.6 | -43.3 | 174.6 | -66.8 | 166 | 0 | 0 | 0 | 110.6 | S38 V52 F56 N234 Y236 W354 A357 D361 | S38-I238 WeakPolarHBondContact CB-O 3.25Å; S38-I238 PolarHBondContact OG-O 2.83Å; V52-I238 HydrophobicContact CG1-CG2 4.01Å; F56-I238 HydrophobicContact CB-CD1 3.89Å; F56-I238 HydrophobicContact CB-CG1 4.44Å; F56-I238 HydrophobicContact CD1-CD1 4.5Å; F56-I238 HydrophobicContact CD1-CG1 4.22Å; F56-I238 HydrophobicContact CD2-CB 4.45Å; F56-I238 HydrophobicContact CD2-CD1 4Å; F56-I238 HydrophobicContact CD2-CG1 3.73Å; F56-I238 HydrophobicContact CD2-CG2 3.94Å; F56-I238 HydrophobicContact CE1-CG1 4.37Å; F56-I238 HydrophobicContact CE2-CB 4.4Å; F56-I238 HydrophobicContact CE2-CG1 3.92Å; F56-I238 HydrophobicContact CE2-CG2 3.94Å; F56-I238 HydrophobicContact CG-CD1 3.89Å; F56-I238 HydrophobicContact CG-CG1 3.88Å; F56-I238 HydrophobicContact CZ-CG1 4.22Å; N234-I238 VanDerWaalsContact O-CG1 3.24Å; N234-I238 WeakPolarHBondContact O-CG1 3.34Å; N234-I238 PolarHBondContact O-N 3.29Å; Y236-I238 VanDerWaalsContact C-N 3.3Å; Y236-I238 PolarHBondContact O-N 3.31Å; I238-W354 HydrophobicContact CD1-CE3 4.08Å; I238-W354 HydrophobicContact CD1-CZ3 3.79Å; I238-W354 HydrophobicContact CG1-CE3 4.37Å; I238-W354 HydrophobicContact CG1-CH2 4.47Å; I238-W354 HydrophobicContact CG1-CZ3 3.59Å; I238-A357 HydrophobicContact CD1-CB 4.1Å; I238-D361 WeakPolarHBondContact CG2-OD2 3.47Å |
| 239 | N | 89.7 | Confident | 89.5 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -99.8 | -25 | -166.8 | -71.9 | -78.5 | 0 | 0 | 0 | 115.2 | L235 Y236 P241 L242 F243 D361 L373 | L235-N239 PolarHBondContact O-N 3.1Å; L235-N239 PolarHBondContact O-ND2 3.4Å; Y236-N239 PolarHBondContact O-N 3.39Å; N239-P241 VanDerWaalsContact C-N 3.26Å; N239-L242 CarbonylContact O-C 3.57Å; N239-L242 WeakPolarHBondContact O-CA 3.27Å; N239-L242 PolarHBondContact O-N 3.45Å; N239-F243 WeakPolarHBondContact O-CB 3.4Å; N239-F243 PolarHBondContact O-N 3.39Å; N239-D361 VanDerWaalsContact CG-OD1 3.22Å; N239-D361 VanDerWaalsContact ND2-CG 3.35Å; N239-D361 PolarHBondContact ND2-OD1 3.35Å; N239-D361 PolarHBondContact OD1-OD1 3.02Å; N239-D361 VanDerWaalsContact OD1-OD1 3.05Å; N239-L373 HydrophobicContact CB-CD1 3.73Å; N239-L373 WeakPolarHBondContact ND2-CD1 3.47Å; N239-L373 WeakPolarHBondContact OD1-CD1 3.38Å |
| 240 | M | 89.9 | Confident | 88.8 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -48.9 | -46.1 | -177.1 | 171.8 | -80.1 | -71.2 | 0 | 0 | 112.1 | Y236 L242 F243 I244 A255 M258 I259 | Y236-M240 HydrophobicContact CD1-CB 4.42Å; Y236-M240 HydrophobicContact CD2-CB 3.96Å; Y236-M240 HydrophobicContact CE1-CB 4.12Å; Y236-M240 HydrophobicContact CE1-CG 4.11Å; Y236-M240 HydrophobicContact CE2-CB 3.65Å; Y236-M240 HydrophobicContact CE2-CG 3.72Å; Y236-M240 HydrophobicContact CG-CB 4.35Å; Y236-M240 VanDerWaalsContact CZ-CG 3.48Å; Y236-M240 WeakPolarHBondContact O-CA 3.4Å; Y236-M240 WeakPolarHBondContact O-CB 3.33Å; Y236-M240 PolarHBondContact O-N 3.49Å; Y236-M240 WeakPolarHBondContact OH-CG 3.22Å; M240-L242 PolarHBondContact O-N 2.93Å; M240-F243 PolarHBondContact O-N 3.46Å; M240-I244 HydrophobicContact CG-CD1 3.99Å; M240-I244 VanDerWaalsContact O-CG1 3.3Å; M240-I244 WeakPolarHBondContact O-CG1 3.49Å; M240-I244 PolarHBondContact O-N 2.89Å; M240-I244 HydrophobicContact SD-CD1 3.34Å; M240-I244 WeakPolarHBondContact SD-CD1 3.18Å; M240-I244 HydrophobicContact SD-CG1 4.3Å; M240-A255 HydrophobicContact CE-CB 3.84Å; M240-A255 HydrophobicContact SD-CB 3.41Å; M240-A255 WeakPolarHBondContact SD-CB 3.26Å; M240-M258 HydrophobicContact CG-CE 4.34Å; M240-I259 HydrophobicContact CE-CD1 3.38Å; M240-I259 HydrophobicContact CE-CG1 3.38Å |
| 241 | P | 86.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.8 | -39.4 | 179.2 | -20.7 | 33.7 | 0 | 0 | 0 | 113 | I39 Y163 N239 I245 A255 | I39-P241 HydrophobicContact CD1-CB 3.6Å; I39-P241 HydrophobicContact CG1-CB 3.69Å; Y163-P241 WeakPolarHBondContact OH-CB 3.48Å; Y163-P241 WeakPolarHBondContact OH-CG 3.23Å; N239-P241 VanDerWaalsContact C-N 3.26Å; P241-I245 WeakPolarHBondContact O-CD1 3.48Å; P241-I245 WeakPolarHBondContact O-CG1 3.34Å; P241-I245 PolarHBondContact O-N 3.47Å; P241-A255 HydrophobicContact CB-CB 4.25Å; P241-A255 HydrophobicContact CG-CB 4.42Å |
| 242 | L | 85.8 | Confident | 87.5 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.9 | -38.3 | 178.4 | -61 | 175.3 | 0 | 0 | 0 | 111.4 | I39 A42 N239 M240 I245 D246 Y370 | I39-L242 HydrophobicContact CG1-CD2 4.36Å; A42-L242 HydrophobicContact CB-CD2 3.74Å; N239-L242 CarbonylContact O-C 3.57Å; N239-L242 WeakPolarHBondContact O-CA 3.27Å; N239-L242 PolarHBondContact O-N 3.45Å; M240-L242 PolarHBondContact O-N 2.93Å; L242-I245 PolarHBondContact O-N 3.34Å; L242-D246 WeakPolarHBondContact O-CB 3.18Å; L242-D246 PolarHBondContact O-N 2.82Å; L242-Y370 HydrophobicContact CB-CE1 4.06Å |
| 243 | F | 86.9 | Confident | 86.9 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.4 | 175.1 | -108.2 | 0 | 0 | 0 | 112.4 | N239 M240 I245 E247 L248 V300 F374 | N239-F243 WeakPolarHBondContact O-CB 3.4Å; N239-F243 PolarHBondContact O-N 3.39Å; M240-F243 PolarHBondContact O-N 3.46Å; F243-I245 VanDerWaalsContact C-N 3.28Å; F243-I245 PolarHBondContact O-N 3.06Å; F243-E247 HydrophobicContact CD2-CB 3.82Å; F243-E247 HydrophobicContact CD2-CG 4.26Å; F243-E247 HydrophobicContact CE2-CB 3.94Å; F243-E247 HydrophobicContact CE2-CG 3.92Å; F243-E247 WeakPolarHBondContact O-CB 3.46Å; F243-E247 PolarHBondContact O-N 3.28Å; F243-E247 VanDerWaalsContact O-N 3.1Å; F243-L248 HydrophobicContact CD1-CD1 4.08Å; F243-L248 HydrophobicContact CD1-CG 4.35Å; F243-L248 HydrophobicContact CE1-CD1 3.6Å; F243-L248 HydrophobicContact CE1-CD2 4.36Å; F243-L248 HydrophobicContact CE1-CG 3.88Å; F243-L248 HydrophobicContact CZ-CD1 4.26Å; F243-L248 HydrophobicContact CZ-CD2 4.2Å; F243-L248 HydrophobicContact CZ-CG 4.09Å; F243-L248 PolarHBondContact O-N 3.3Å; F243-L248 VanDerWaalsContact O-N 3.13Å; F243-V300 HydrophobicContact CD1-CG1 4.41Å; F243-V300 HydrophobicContact CE1-CG1 3.71Å; F243-V300 HydrophobicContact CZ-CG1 4.32Å; F243-F374 HydrophobicContact CD1-CE2 4.17Å; F243-F374 AromaticContact CD1-CZ 3.81Å; F243-F374 HydrophobicContact CD1-CZ 3.81Å; F243-F374 AromaticContact CD2-CE2 3.83Å; F243-F374 HydrophobicContact CD2-CE2 3.83Å; F243-F374 HydrophobicContact CD2-CZ 4.23Å; F243-F374 HydrophobicContact CE1-CE2 4.1Å; F243-F374 AromaticContact CE1-CZ 3.95Å; F243-F374 HydrophobicContact CE1-CZ 3.95Å; F243-F374 AromaticContact CE2-CE2 3.75Å; F243-F374 HydrophobicContact CE2-CE2 3.75Å; F243-F374 HydrophobicContact CE2-CZ 4.36Å; F243-F374 HydrophobicContact CG-CE2 4.03Å; F243-F374 AromaticContact CG-CZ 3.94Å; F243-F374 HydrophobicContact CG-CZ 3.94Å; F243-F374 AromaticContact CZ-CE2 3.89Å; F243-F374 HydrophobicContact CZ-CE2 3.89Å; F243-F374 HydrophobicContact CZ-CZ 4.23Å |
| 244 | I | 85.6 | Confident | 86.6 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 176.6 | -73.8 | 177.2 | 0 | 0 | 0 | 111.4 | M240 L248 H249 L250 L254 A255 M258 | M240-I244 HydrophobicContact CG-CD1 3.99Å; M240-I244 VanDerWaalsContact O-CG1 3.3Å; M240-I244 WeakPolarHBondContact O-CG1 3.49Å; M240-I244 PolarHBondContact O-N 2.89Å; M240-I244 HydrophobicContact SD-CD1 3.34Å; M240-I244 WeakPolarHBondContact SD-CD1 3.18Å; M240-I244 HydrophobicContact SD-CG1 4.3Å; I244-L248 CarbonylContact O-C 3.55Å; I244-H249 PolarHBondContact O-N 3.45Å; I244-H249 VanDerWaalsContact O-N 3.11Å; I244-L250 HydrophobicContact CG2-CB 3.74Å; I244-L250 PolarHBondContact O-N 3.02Å; I244-L254 HydrophobicContact CD1-CD2 4.47Å; I244-L254 HydrophobicContact CD1-CG 4.5Å; I244-L254 HydrophobicContact CG2-CB 4.48Å; I244-L254 HydrophobicContact CG2-CD2 4.43Å; I244-A255 HydrophobicContact CD1-CB 4.07Å; I244-M258 HydrophobicContact CD1-CE 4.17Å; I244-M258 HydrophobicContact CD1-SD 3.41Å; I244-M258 WeakPolarHBondContact CD1-SD 3.44Å |
| 245 | I | 83.1 | Confident | 86.4 | Confident | 43 Ų | 43 | 33.9 Ų | 33.9 | 22% | 0.221 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -82.8 | -54.6 | -175.6 | -63.6 | 172.6 | 0 | 0 | 0 | 111.3 | I39 P241 L242 F243 H249 D252 | I39-I245 HydrophobicContact CD1-CD1 3.59Å; I39-I245 HydrophobicContact CG1-CD1 4.15Å; P241-I245 WeakPolarHBondContact O-CD1 3.48Å; P241-I245 WeakPolarHBondContact O-CG1 3.34Å; P241-I245 PolarHBondContact O-N 3.47Å; L242-I245 PolarHBondContact O-N 3.34Å; F243-I245 VanDerWaalsContact C-N 3.28Å; F243-I245 PolarHBondContact O-N 3.06Å; I245-H249 WeakPolarHBondContact O-CA 3.48Å; I245-H249 PolarHBondContact O-N 2.84Å; I245-H249 PolarHBondContact O-ND1 2.95Å; I245-D252 HydrophobicContact CD1-CB 4.14Å; I245-D252 WeakPolarHBondContact CD1-OD1 3.42Å; I245-D252 WeakPolarHBondContact CG1-OD1 3.18Å |
| 246 | D | 80.5 | Confident | 86.2 | Confident | 84 Ų | 84 | 33.7 Ų | 33.7 | 45% | 0.449 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -75.9 | -36.6 | -169.9 | -67.4 | -17.8 | 0 | 0 | 0 | 112 | L242 H249 Y370 | L242-D246 WeakPolarHBondContact O-CB 3.18Å; L242-D246 PolarHBondContact O-N 2.82Å; D246-H249 PolarHBondContact O-CE1 2.91Å; D246-Y370 HydrophobicContact CB-CE2 3.95Å; D246-Y370 PolarHBondContact OD2-OH 2.86Å |
| 247 | E | 81.3 | Confident | 86.1 | Confident | 87 Ų | 87 | 37.5 Ų | 37.5 | 41% | 0.407 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -48.5 | -171.9 | -161 | 81.3 | -150.8 | 0 | 0 | 112.4 | F243 H371 | F243-E247 HydrophobicContact CD2-CB 3.82Å; F243-E247 HydrophobicContact CD2-CG 4.26Å; F243-E247 HydrophobicContact CE2-CB 3.94Å; F243-E247 HydrophobicContact CE2-CG 3.92Å; F243-E247 WeakPolarHBondContact O-CB 3.46Å; F243-E247 PolarHBondContact O-N 3.28Å; F243-E247 VanDerWaalsContact O-N 3.1Å; E247-H371 VanDerWaalsContact CD-CE1 3.49Å; E247-H371 IonicContact OE1-CE1 3.07Å; E247-H371 PolarHBondContact OE1-CE1 3.14Å; E247-H371 VanDerWaalsContact OE1-CE1 3.3Å; E247-H371 IonicContact OE1-ND1 2.71Å |
| 248 | L | 81.3 | Confident | 86.2 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 17% | 0.173 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -83.6 | -13.9 | -178.9 | -60.7 | -179.8 | 0 | 0 | 0 | 113.1 | F243 I244 L250 A303 E309 | F243-L248 HydrophobicContact CD1-CD1 4.08Å; F243-L248 HydrophobicContact CD1-CG 4.35Å; F243-L248 HydrophobicContact CE1-CD1 3.6Å; F243-L248 HydrophobicContact CE1-CD2 4.36Å; F243-L248 HydrophobicContact CE1-CG 3.88Å; F243-L248 HydrophobicContact CZ-CD1 4.26Å; F243-L248 HydrophobicContact CZ-CD2 4.2Å; F243-L248 HydrophobicContact CZ-CG 4.09Å; F243-L248 PolarHBondContact O-N 3.3Å; F243-L248 VanDerWaalsContact O-N 3.13Å; I244-L248 CarbonylContact O-C 3.55Å; L248-L250 HydrophobicContact CB-CB 4.47Å; L248-L250 HydrophobicContact CB-CD1 3.87Å; L248-L250 HydrophobicContact CB-CG 3.78Å; L248-L250 HydrophobicContact CD1-CD1 4.02Å; L248-L250 PolarHBondContact O-N 3.08Å; L248-A303 WeakPolarHBondContact CD2-O 3.47Å; L248-E309 HydrophobicContact CD1-CG 4.35Å |
| 249 | H | 80.2 | Confident | 86.3 | Confident | 154 Ų | 154 | 37.2 Ų | 37.2 | 71% | 0.713 | 19% | 0.187 | S | C | * | . | trans | 51.6 | 34.7 | -175.8 | -56.4 | -45.6 | 0 | 0 | 0 | 113.5 | I244 I245 D246 | I244-H249 PolarHBondContact O-N 3.45Å; I244-H249 VanDerWaalsContact O-N 3.11Å; I245-H249 WeakPolarHBondContact O-CA 3.48Å; I245-H249 PolarHBondContact O-N 2.84Å; I245-H249 PolarHBondContact O-ND1 2.95Å; D246-H249 PolarHBondContact O-CE1 2.91Å | ||
| 250 | L | 83.7 | Confident | 86.4 | Confident | 38 Ų | 38 | 37.3 Ų | 37.3 | 20% | 0.199 | 19% | 0.188 | C | C | . | . | trans | -93.9 | 169 | 178.2 | -62.9 | 179.2 | 0 | 0 | 0 | 110.5 | I244 L248 L254 P306 | I244-L250 HydrophobicContact CG2-CB 3.74Å; I244-L250 PolarHBondContact O-N 3.02Å; L248-L250 HydrophobicContact CB-CB 4.47Å; L248-L250 HydrophobicContact CB-CD1 3.87Å; L248-L250 HydrophobicContact CB-CG 3.78Å; L248-L250 HydrophobicContact CD1-CD1 4.02Å; L248-L250 PolarHBondContact O-N 3.08Å; L250-L254 HydrophobicContact CB-CD2 4.16Å; L250-L254 HydrophobicContact CD1-CD2 3.64Å; L250-P306 HydrophobicContact CD1-CG 4Å; L250-P306 HydrophobicContact CD2-CG 3.75Å; L250-P306 HydrophobicContact CG-CG 4.43Å | ||
| 251 | T | 86.3 | Confident | 86.6 | Confident | 87 Ų | 87 | 40.5 Ų | 40.5 | 53% | 0.534 | 20% | 0.204 | S | C | . | . | trans | -69.9 | 137.2 | -179.3 | -174.7 | 0 | 0 | 0 | 0 | 112 | K253 L254 | T251-K253 HydrophobicContact CG2-CB 4.28Å; T251-K253 PolarHBondContact O-N 3.3Å; T251-K253 VanDerWaalsContact O-N 3.09Å; T251-L254 HydrophobicContact CG2-CB 4.09Å; T251-L254 WeakPolarHBondContact O-CB 3.46Å; T251-L254 PolarHBondContact O-N 3.46Å | ||
| 252 | D | 79.9 | Confident | 86.9 | Confident | 47 Ų | 47 | 40.7 Ų | 40.7 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -52.7 | -32.9 | 174.6 | -46.5 | -8.2 | 0 | 0 | 0 | 112.4 | Y163 M167 I245 L254 A255 | Y163-D252 HydrophobicContact CD1-CB 4.25Å; Y163-D252 WeakPolarHBondContact CD1-O 3.48Å; Y163-D252 HydrophobicContact CE1-CB 4.46Å; Y163-D252 VanDerWaalsContact CE1-O 3.23Å; Y163-D252 WeakPolarHBondContact CE1-O 3.3Å; M167-D252 HydrophobicContact CE-CB 3.93Å; M167-D252 HydrophobicContact CG-CB 3.83Å; M167-D252 HydrophobicContact SD-CB 4.45Å; I245-D252 HydrophobicContact CD1-CB 4.14Å; I245-D252 WeakPolarHBondContact CD1-OD1 3.42Å; I245-D252 WeakPolarHBondContact CG1-OD1 3.18Å; D252-L254 PolarHBondContact O-N 3.37Å; D252-A255 WeakPolarHBondContact O-CB 3.35Å; D252-A255 PolarHBondContact O-N 2.65Å; D252-A255 VanDerWaalsContact O-N 3.13Å |
| 253 | K | 85.1 | Confident | 87.1 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.4 | -28.8 | 179.9 | -64.5 | -168.3 | 178.2 | -159.6 | 0 | 112.6 | E164 T251 A255 G256 E257 | E164-K253 IonicContact OE1-NZ 3.89Å; E164-K253 PolarHBondContact OE1-NZ 3.5Å; E164-K253 WeakPolarHBondContact OE2-CE 3.31Å; E164-K253 IonicContact OE2-NZ 2.92Å; E164-K253 PolarHBondContact OE2-NZ 2.83Å; T251-K253 HydrophobicContact CG2-CB 4.28Å; T251-K253 PolarHBondContact O-N 3.3Å; T251-K253 VanDerWaalsContact O-N 3.09Å; K253-A255 VanDerWaalsContact C-N 3.26Å; K253-A255 PolarHBondContact O-N 2.96Å; K253-G256 PolarHBondContact O-N 3.36Å; K253-G256 VanDerWaalsContact O-N 3.12Å; K253-E257 PolarHBondContact O-N 2.93Å; K253-E257 VanDerWaalsContact O-N 3.12Å |
| 254 | L | 88.7 | Confident | 87.4 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -36.8 | 178.3 | -175.7 | 64.4 | 0 | 0 | 0 | 111.4 | I244 L250 T251 D252 G256 E257 M258 P306 L310 | I244-L254 HydrophobicContact CD1-CD2 4.47Å; I244-L254 HydrophobicContact CD1-CG 4.5Å; I244-L254 HydrophobicContact CG2-CB 4.48Å; I244-L254 HydrophobicContact CG2-CD2 4.43Å; L250-L254 HydrophobicContact CB-CD2 4.16Å; L250-L254 HydrophobicContact CD1-CD2 3.64Å; T251-L254 HydrophobicContact CG2-CB 4.09Å; T251-L254 WeakPolarHBondContact O-CB 3.46Å; T251-L254 PolarHBondContact O-N 3.46Å; D252-L254 PolarHBondContact O-N 3.37Å; L254-G256 VanDerWaalsContact C-N 3.29Å; L254-G256 PolarHBondContact O-N 3.31Å; L254-E257 PolarHBondContact O-N 3.43Å; L254-M258 HydrophobicContact CD1-CG 4.34Å; L254-M258 HydrophobicContact CD1-SD 4.43Å; L254-M258 HydrophobicContact CD2-SD 4.19Å; L254-M258 HydrophobicContact CG-CG 4.22Å; L254-M258 HydrophobicContact CG-SD 3.76Å; L254-M258 WeakPolarHBondContact O-CB 3.46Å; L254-M258 VanDerWaalsContact O-CG 3.25Å; L254-M258 WeakPolarHBondContact O-CG 3.47Å; L254-M258 PolarHBondContact O-N 3.3Å; L254-P306 HydrophobicContact CD1-CB 4.1Å; L254-P306 HydrophobicContact CD2-CB 3.91Å; L254-P306 HydrophobicContact CD2-CG 4.37Å; L254-L310 HydrophobicContact CD1-CD1 4.12Å; L254-L310 HydrophobicContact CD1-CD2 3.91Å; L254-L310 HydrophobicContact CD1-CG 3.92Å |
| 255 | A | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y163 M240 P241 I244 D252 K253 I259 | Y163-A255 HydrophobicContact CD1-CB 4.41Å; Y163-A255 HydrophobicContact CE1-CB 3.66Å; Y163-A255 HydrophobicContact CE2-CB 4.17Å; M240-A255 HydrophobicContact CE-CB 3.84Å; M240-A255 HydrophobicContact SD-CB 3.41Å; M240-A255 WeakPolarHBondContact SD-CB 3.26Å; P241-A255 HydrophobicContact CB-CB 4.25Å; P241-A255 HydrophobicContact CG-CB 4.42Å; I244-A255 HydrophobicContact CD1-CB 4.07Å; D252-A255 WeakPolarHBondContact O-CB 3.35Å; D252-A255 PolarHBondContact O-N 2.65Å; D252-A255 VanDerWaalsContact O-N 3.13Å; K253-A255 VanDerWaalsContact C-N 3.26Å; K253-A255 PolarHBondContact O-N 2.96Å; A255-I259 WeakPolarHBondContact O-CG1 3.48Å; A255-I259 PolarHBondContact O-N 2.96Å; A255-I259 VanDerWaalsContact O-N 3.11Å |
| 256 | G | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P160 Y163 K253 L254 I259 G260 | P160-G256 WeakPolarHBondContact CD-O 2.94Å; P160-G256 WeakPolarHBondContact CG-O 3.44Å; Y163-G256 VanDerWaalsContact CD2-CA 3.45Å; K253-G256 PolarHBondContact O-N 3.36Å; K253-G256 VanDerWaalsContact O-N 3.12Å; L254-G256 VanDerWaalsContact C-N 3.29Å; L254-G256 PolarHBondContact O-N 3.31Å; G256-I259 PolarHBondContact O-N 2.98Å; G256-G260 PolarHBondContact O-N 2.94Å |
| 257 | E | 91.8 | Very high | 88.5 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 177.6 | -68.1 | 177 | -173.4 | 0 | 0 | 112.1 | K253 L254 G260 I261 L310 | K253-E257 PolarHBondContact O-N 2.93Å; K253-E257 VanDerWaalsContact O-N 3.12Å; L254-E257 PolarHBondContact O-N 3.43Å; E257-G260 PolarHBondContact O-N 3.37Å; E257-I261 WeakPolarHBondContact O-CB 3.38Å; E257-I261 VanDerWaalsContact O-CG1 3.3Å; E257-I261 WeakPolarHBondContact O-CG1 3.42Å; E257-I261 PolarHBondContact O-N 3.4Å; E257-L310 HydrophobicContact CB-CD2 4.17Å |
| 258 | M | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 179.1 | -73 | 167.3 | 71.8 | 0 | 0 | 111.8 | Y236 M240 I244 L254 A262 E309 L310 Q313 | Y236-M258 VanDerWaalsContact OH-CE 3.22Å; Y236-M258 WeakPolarHBondContact OH-CE 3.17Å; M240-M258 HydrophobicContact CG-CE 4.34Å; I244-M258 HydrophobicContact CD1-CE 4.17Å; I244-M258 HydrophobicContact CD1-SD 3.41Å; I244-M258 WeakPolarHBondContact CD1-SD 3.44Å; L254-M258 HydrophobicContact CD1-CG 4.34Å; L254-M258 HydrophobicContact CD1-SD 4.43Å; L254-M258 HydrophobicContact CD2-SD 4.19Å; L254-M258 HydrophobicContact CG-CG 4.22Å; L254-M258 HydrophobicContact CG-SD 3.76Å; L254-M258 WeakPolarHBondContact O-CB 3.46Å; L254-M258 VanDerWaalsContact O-CG 3.25Å; L254-M258 WeakPolarHBondContact O-CG 3.47Å; L254-M258 PolarHBondContact O-N 3.3Å; M258-A262 VanDerWaalsContact O-CB 3.23Å; M258-A262 WeakPolarHBondContact O-CB 3.33Å; M258-A262 PolarHBondContact O-N 3.48Å; M258-E309 HydrophobicContact CE-CB 3.82Å; M258-E309 HydrophobicContact CE-CG 4.32Å; M258-E309 WeakPolarHBondContact CE-OE2 3.39Å; M258-E309 HydrophobicContact SD-CB 3.95Å; M258-L310 HydrophobicContact CG-CD2 3.95Å; M258-Q313 HydrophobicContact CB-CG 4.14Å; M258-Q313 HydrophobicContact CG-CG 4.34Å |
| 259 | I | 92.1 | Very high | 89.6 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 177.6 | -61.1 | 169.9 | 0 | 0 | 0 | 110.4 | P35 W155 P159 M240 A255 G256 A262 A263 | P35-I259 HydrophobicContact CB-CD1 3.69Å; P35-I259 HydrophobicContact CG-CD1 4.29Å; W155-I259 HydrophobicContact CE3-CG2 4.2Å; W155-I259 HydrophobicContact CZ3-CG2 4.32Å; P159-I259 HydrophobicContact CB-CB 3.92Å; P159-I259 HydrophobicContact CB-CD1 4.4Å; P159-I259 HydrophobicContact CB-CG2 3.87Å; P159-I259 HydrophobicContact CG-CB 4.13Å; P159-I259 HydrophobicContact CG-CG2 3.52Å; M240-I259 HydrophobicContact CE-CD1 3.38Å; M240-I259 HydrophobicContact CE-CG1 3.38Å; A255-I259 WeakPolarHBondContact O-CG1 3.48Å; A255-I259 PolarHBondContact O-N 2.96Å; A255-I259 VanDerWaalsContact O-N 3.11Å; G256-I259 PolarHBondContact O-N 2.98Å; I259-A262 PolarHBondContact O-N 3.43Å; I259-A263 WeakPolarHBondContact O-CB 3.4Å; I259-A263 PolarHBondContact O-N 2.94Å |
| 260 | G | 92.2 | Very high | 90.1 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V156 G256 E257 G264 | V156-G260 WeakPolarHBondContact O-CA 3.49Å; G256-G260 PolarHBondContact O-N 2.94Å; E257-G260 PolarHBondContact O-N 3.37Å; G260-G264 PolarHBondContact O-N 2.92Å |
| 261 | I | 94 | Very high | 90.4 | Very high | 68 Ų | 68 | 42 Ų | 42 | 35% | 0.349 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.6 | -45.2 | 176.5 | -72.3 | 163 | 0 | 0 | 0 | 110.7 | E257 A263 G264 L265 L310 Q313 | E257-I261 WeakPolarHBondContact O-CB 3.38Å; E257-I261 VanDerWaalsContact O-CG1 3.3Å; E257-I261 WeakPolarHBondContact O-CG1 3.42Å; E257-I261 PolarHBondContact O-N 3.4Å; I261-A263 PolarHBondContact O-N 3.41Å; I261-G264 PolarHBondContact O-N 3.18Å; I261-L265 HydrophobicContact CG2-CD1 3.73Å; I261-L265 HydrophobicContact CG2-CG 4.23Å; I261-L265 WeakPolarHBondContact O-CB 3.28Å; I261-L265 WeakPolarHBondContact O-CG 3.42Å; I261-L265 PolarHBondContact O-N 2.9Å; I261-L310 HydrophobicContact CD1-CD2 3.57Å; I261-Q313 HydrophobicContact CG2-CB 4Å |
| 262 | A | 92.7 | Very high | 90.7 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -49.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M258 I259 G264 L265 E266 Q313 | M258-A262 VanDerWaalsContact O-CB 3.23Å; M258-A262 WeakPolarHBondContact O-CB 3.33Å; M258-A262 PolarHBondContact O-N 3.48Å; I259-A262 PolarHBondContact O-N 3.43Å; A262-G264 VanDerWaalsContact C-N 3.31Å; A262-G264 PolarHBondContact O-N 2.97Å; A262-L265 PolarHBondContact O-N 3.14Å; A262-E266 VanDerWaalsContact O-CB 3.31Å; A262-E266 WeakPolarHBondContact O-CB 3.19Å; A262-E266 PolarHBondContact O-N 3.23Å; A262-Q313 HydrophobicContact CB-CB 4.28Å |
| 263 | A | 91 | Very high | 91.3 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W155 V156 I259 I261 E266 | W155-A263 HydrophobicContact CB-CB 4.18Å; V156-A263 HydrophobicContact CG2-CB 4.05Å; I259-A263 WeakPolarHBondContact O-CB 3.4Å; I259-A263 PolarHBondContact O-N 2.94Å; I261-A263 PolarHBondContact O-N 3.41Å; A263-E266 WeakPolarHBondContact O-CB 3.46Å; A263-E266 PolarHBondContact O-N 3.2Å |
| 264 | G | 92 | Very high | 91.4 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.4 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G260 I261 A262 P268 | G260-G264 PolarHBondContact O-N 2.92Å; I261-G264 PolarHBondContact O-N 3.18Å; A262-G264 VanDerWaalsContact C-N 3.31Å; A262-G264 PolarHBondContact O-N 2.97Å; G264-P268 WeakPolarHBondContact O-CD 3.49Å |
| 265 | L | 93.9 | Very high | 91.6 | Very high | 67 Ų | 67 | 44 Ų | 44 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75.4 | -27.3 | 177.8 | -68 | 176.7 | 0 | 0 | 0 | 112.9 | I261 A262 I267 P268 M269 I314 A317 | I261-L265 HydrophobicContact CG2-CD1 3.73Å; I261-L265 HydrophobicContact CG2-CG 4.23Å; I261-L265 WeakPolarHBondContact O-CB 3.28Å; I261-L265 WeakPolarHBondContact O-CG 3.42Å; I261-L265 PolarHBondContact O-N 2.9Å; A262-L265 PolarHBondContact O-N 3.14Å; L265-I267 VanDerWaalsContact C-N 3.26Å; L265-I267 PolarHBondContact O-N 2.8Å; L265-P268 WeakPolarHBondContact O-CD 3.01Å; L265-M269 VanDerWaalsContact O-CB 3.27Å; L265-M269 WeakPolarHBondContact O-CB 3.3Å; L265-M269 PolarHBondContact O-N 2.93Å; L265-M269 VanDerWaalsContact O-N 3.14Å; L265-I314 HydrophobicContact CD1-CG1 3.96Å; L265-A317 HydrophobicContact CB-CB 3.43Å; L265-A317 VanDerWaalsContact CB-CB 3.43Å |
| 266 | E | 91.5 | Very high | 91.7 | Very high | 40 Ų | 40 | 49 Ų | 49 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.2 | -39.9 | 175.6 | -171.8 | -170.1 | 147.3 | 0 | 0 | 111.4 | A262 A263 M269 M270 L320 C324 | A262-E266 VanDerWaalsContact O-CB 3.31Å; A262-E266 WeakPolarHBondContact O-CB 3.19Å; A262-E266 PolarHBondContact O-N 3.23Å; A263-E266 WeakPolarHBondContact O-CB 3.46Å; A263-E266 PolarHBondContact O-N 3.2Å; E266-M269 PolarHBondContact O-N 3.26Å; E266-M270 WeakPolarHBondContact O-CB 3.44Å; E266-M270 PolarHBondContact O-N 2.93Å; E266-L320 HydrophobicContact CG-CB 4.2Å; E266-C324 WeakPolarHBondContact OE1-CB 3.37Å; E266-C324 PolarHBondContact OE1-SG 3.13Å |
| 267 | I | 88.3 | Confident | 91.7 | Very high | 59 Ų | 59 | 50.7 Ų | 50.7 | 30% | 0.303 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.5 | -56.9 | -176.9 | -62.3 | 166.5 | 0 | 0 | 0 | 111.6 | V156 L265 M269 M270 L271 | V156-I267 HydrophobicContact CG2-CD1 4.32Å; L265-I267 VanDerWaalsContact C-N 3.26Å; L265-I267 PolarHBondContact O-N 2.8Å; I267-M269 PolarHBondContact O-N 3.32Å; I267-M270 PolarHBondContact O-N 3.17Å; I267-L271 PolarHBondContact O-N 2.59Å |
| 268 | P | 91.2 | Very high | 91.5 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.1 | -41.1 | 172.1 | -25.9 | 32 | 0 | 0 | 0 | 112.9 | G264 L265 M270 L271 I272 | G264-P268 WeakPolarHBondContact O-CD 3.49Å; L265-P268 WeakPolarHBondContact O-CD 3.01Å; P268-M270 VanDerWaalsContact C-N 3.34Å; P268-M270 PolarHBondContact O-N 2.85Å; P268-L271 WeakPolarHBondContact O-CB 3.35Å; P268-L271 PolarHBondContact O-N 2.81Å; P268-L271 VanDerWaalsContact O-N 3.13Å; P268-I272 VanDerWaalsContact O-CG1 3.31Å; P268-I272 WeakPolarHBondContact O-CG1 3.47Å; P268-I272 PolarHBondContact O-N 3.02Å |
| 269 | M | 93.5 | Very high | 91.4 | Very high | 40 Ų | 40 | 63.6 Ų | 63.6 | 20% | 0.197 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.1 | -37.8 | -176 | -168.2 | 54.3 | 63.7 | 0 | 0 | 112.6 | L265 E266 I267 L271 I272 A273 A317 I318 | L265-M269 VanDerWaalsContact O-CB 3.27Å; L265-M269 WeakPolarHBondContact O-CB 3.3Å; L265-M269 PolarHBondContact O-N 2.93Å; L265-M269 VanDerWaalsContact O-N 3.14Å; E266-M269 PolarHBondContact O-N 3.26Å; I267-M269 PolarHBondContact O-N 3.32Å; M269-L271 VanDerWaalsContact C-N 3.33Å; M269-L271 PolarHBondContact O-N 2.88Å; M269-I272 PolarHBondContact O-N 2.99Å; M269-A273 VanDerWaalsContact O-CB 3.24Å; M269-A273 WeakPolarHBondContact O-CB 3.46Å; M269-A273 PolarHBondContact O-N 3.4Å; M269-A317 WeakPolarHBondContact CG-O 3.44Å; M269-I318 HydrophobicContact CE-CD1 4.34Å; M269-I318 HydrophobicContact CE-CG1 3.42Å; M269-I318 VanDerWaalsContact CE-CG1 3.42Å; M269-I318 HydrophobicContact CG-CB 4.43Å; M269-I318 HydrophobicContact CG-CG1 4.25Å; M269-I318 HydrophobicContact SD-CB 4.39Å; M269-I318 HydrophobicContact SD-CG1 3.77Å |
| 270 | M | 89.9 | Confident | 91.4 | Very high | 60 Ų | 60 | 65.9 Ų | 65.9 | 30% | 0.296 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 172 | -175.6 | -178 | 60.7 | 0 | 0 | 111.7 | E266 I267 P268 G274 | E266-M270 WeakPolarHBondContact O-CB 3.44Å; E266-M270 PolarHBondContact O-N 2.93Å; I267-M270 PolarHBondContact O-N 3.17Å; P268-M270 VanDerWaalsContact C-N 3.34Å; P268-M270 PolarHBondContact O-N 2.85Å; M270-G274 PolarHBondContact O-N 3.26Å |
| 271 | L | 90.1 | Very high | 91.3 | Very high | 117 Ų | 117 | 67 Ų | 67 | 61% | 0.613 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.3 | -45 | 177.4 | -63.2 | 176.3 | 0 | 0 | 0 | 112 | I267 P268 M269 G274 Y275 | I267-L271 PolarHBondContact O-N 2.59Å; P268-L271 WeakPolarHBondContact O-CB 3.35Å; P268-L271 PolarHBondContact O-N 2.81Å; P268-L271 VanDerWaalsContact O-N 3.13Å; M269-L271 VanDerWaalsContact C-N 3.33Å; M269-L271 PolarHBondContact O-N 2.88Å; L271-G274 PolarHBondContact O-N 2.89Å; L271-Y275 PolarHBondContact O-N 3.46Å |
| 272 | I | 92.8 | Very high | 91.2 | Very high | 81 Ų | 81 | 65.5 Ų | 65.5 | 42% | 0.415 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60 | -48.4 | 176.2 | -69.2 | 167.7 | 0 | 0 | 0 | 109.8 | P268 M269 G274 Y275 Y276 | P268-I272 VanDerWaalsContact O-CG1 3.31Å; P268-I272 WeakPolarHBondContact O-CG1 3.47Å; P268-I272 PolarHBondContact O-N 3.02Å; M269-I272 PolarHBondContact O-N 2.99Å; I272-G274 VanDerWaalsContact C-N 3.32Å; I272-G274 PolarHBondContact O-N 3.16Å; I272-Y275 WeakPolarHBondContact O-CB 3.38Å; I272-Y275 PolarHBondContact O-N 2.91Å; I272-Y275 VanDerWaalsContact O-N 3.13Å; I272-Y276 HydrophobicContact CG2-CD2 3.68Å; I272-Y276 HydrophobicContact CG2-CE2 3.83Å; I272-Y276 VanDerWaalsContact O-CD2 3.31Å; I272-Y276 WeakPolarHBondContact O-CD2 3.44Å; I272-Y276 PolarHBondContact O-N 3.21Å |
| 273 | A | 92.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 68.4 Ų | 68.4 | 3% | 0.033 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M269 Y275 Y276 M277 L285 I322 I326 | M269-A273 VanDerWaalsContact O-CB 3.24Å; M269-A273 WeakPolarHBondContact O-CB 3.46Å; M269-A273 PolarHBondContact O-N 3.4Å; A273-Y275 VanDerWaalsContact C-N 3.32Å; A273-Y275 PolarHBondContact O-N 3.15Å; A273-Y276 PolarHBondContact O-N 3Å; A273-M277 WeakPolarHBondContact O-CB 3.28Å; A273-M277 PolarHBondContact O-N 3.13Å; A273-L285 HydrophobicContact CB-CD2 4.42Å; A273-L285 WeakPolarHBondContact O-CD1 3.48Å; A273-I322 HydrophobicContact CB-CG1 3.76Å; A273-I326 HydrophobicContact CB-CD1 4.2Å; A273-I326 HydrophobicContact CB-CG1 3.96Å |
| 274 | G | 88.8 | Confident | 91.4 | Very high | 29 Ų | 29 | 72 Ų | 72 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M270 L271 I272 M277 | M270-G274 PolarHBondContact O-N 3.26Å; L271-G274 PolarHBondContact O-N 2.89Å; I272-G274 VanDerWaalsContact C-N 3.32Å; I272-G274 PolarHBondContact O-N 3.16Å; G274-M277 WeakPolarHBondContact O-CB 3.3Å |
| 275 | Y | 91.1 | Very high | 91.5 | Very high | 137 Ų | 137 | 71.1 Ų | 71.1 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.3 | -48.4 | 175.1 | 178.9 | -96.6 | 0 | 0 | 0 | 112.2 | L271 I272 A273 M277 R279 | L271-Y275 PolarHBondContact O-N 3.46Å; I272-Y275 WeakPolarHBondContact O-CB 3.38Å; I272-Y275 PolarHBondContact O-N 2.91Å; I272-Y275 VanDerWaalsContact O-N 3.13Å; A273-Y275 VanDerWaalsContact C-N 3.32Å; A273-Y275 PolarHBondContact O-N 3.15Å; Y275-M277 VanDerWaalsContact C-N 3.29Å; Y275-M277 PolarHBondContact O-N 2.92Å; Y275-R279 PolarHBondContact OH-NH2 3.16Å |
| 276 | Y | 92.9 | Very high | 91.7 | Very high | 106 Ų | 106 | 68 Ų | 68 | 42% | 0.416 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -74 | -17.6 | -179.3 | -79 | -77.1 | 0 | 0 | 0 | 113.7 | I272 A273 K278 R279 I280 | I272-Y276 HydrophobicContact CG2-CD2 3.68Å; I272-Y276 HydrophobicContact CG2-CE2 3.83Å; I272-Y276 VanDerWaalsContact O-CD2 3.31Å; I272-Y276 WeakPolarHBondContact O-CD2 3.44Å; I272-Y276 PolarHBondContact O-N 3.21Å; A273-Y276 PolarHBondContact O-N 3Å; Y276-K278 PolarHBondContact O-N 3.32Å; Y276-K278 VanDerWaalsContact O-N 3.13Å; Y276-R279 PolarHBondContact O-N 2.83Å; Y276-I280 WeakPolarHBondContact O-CG1 3.49Å; Y276-I280 PolarHBondContact O-N 3.5Å |
| 277 | M | 90.1 | Very high | 91.9 | Very high | 35 Ų | 35 | 67.7 Ų | 67.7 | 17% | 0.172 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -51.6 | -39.2 | 179 | -175.4 | -177.2 | 62.3 | 0 | 0 | 113.2 | A273 G274 Y275 R279 G281 K282 L285 I326 L329 | A273-M277 WeakPolarHBondContact O-CB 3.28Å; A273-M277 PolarHBondContact O-N 3.13Å; G274-M277 WeakPolarHBondContact O-CB 3.3Å; Y275-M277 VanDerWaalsContact C-N 3.29Å; Y275-M277 PolarHBondContact O-N 2.92Å; M277-R279 VanDerWaalsContact C-N 3.29Å; M277-R279 PolarHBondContact O-N 3.45Å; M277-G281 WeakPolarHBondContact O-CA 3.39Å; M277-G281 PolarHBondContact O-N 3.2Å; M277-K282 HydrophobicContact CG-CG 3.84Å; M277-K282 HydrophobicContact SD-CG 4.07Å; M277-K282 PolarHBondContact SD-NZ 3.35Å; M277-L285 VanDerWaalsContact CA-CD1 3.43Å; M277-L285 HydrophobicContact CB-CD1 3.81Å; M277-L285 HydrophobicContact CG-CD1 4.29Å; M277-I326 HydrophobicContact CB-CD1 3.93Å; M277-I326 HydrophobicContact CG-CD1 4Å; M277-I326 HydrophobicContact SD-CD1 3.76Å; M277-L329 HydrophobicContact CE-CD1 3.92Å; M277-L329 HydrophobicContact SD-CB 4.36Å; M277-L329 HydrophobicContact SD-CD1 3.63Å |
| 278 | K | 87.6 | Confident | 92.3 | Very high | 194 Ų | 194 | 68.1 Ų | 68.1 | 84% | 0.843 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -71.2 | -22.1 | 178.7 | -67.3 | -174 | 178.3 | -178.2 | 0 | 113.7 | Y276 | Y276-K278 PolarHBondContact O-N 3.32Å; Y276-K278 VanDerWaalsContact O-N 3.13Å |
| 279 | R | 90.9 | Very high | 92.7 | Very high | 170 Ų | 170 | 65.2 Ų | 65.2 | 64% | 0.642 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -96 | -44.1 | -174.8 | -65.3 | -172.7 | -178.6 | -163 | 1.7 | 112.8 | Y275 Y276 M277 | Y275-R279 PolarHBondContact OH-NH2 3.16Å; Y276-R279 PolarHBondContact O-N 2.83Å; M277-R279 VanDerWaalsContact C-N 3.29Å; M277-R279 PolarHBondContact O-N 3.45Å |
| 280 | I | 91.8 | Very high | 92.9 | Very high | 69 Ų | 69 | 63.3 Ų | 63.3 | 35% | 0.354 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -111.2 | -6.7 | -171.1 | 63.8 | 165 | 0 | 0 | 0 | 114 | Y276 L284 L285 I288 | Y276-I280 WeakPolarHBondContact O-CG1 3.49Å; Y276-I280 PolarHBondContact O-N 3.5Å; I280-L284 HydrophobicContact CB-CD2 4.18Å; I280-L284 WeakPolarHBondContact O-CB 3.22Å; I280-L285 HydrophobicContact CD1-CD2 3.65Å; I280-L285 HydrophobicContact CD1-CG 3.74Å; I280-L285 HydrophobicContact CG1-CD1 4.4Å; I280-L285 HydrophobicContact CG1-CD2 4.31Å; I280-L285 HydrophobicContact CG1-CG 3.97Å; I280-I288 HydrophobicContact CD1-CD1 3.99Å |
| 281 | G | 91.4 | Very high | 93.3 | Very high | 29 Ų | 29 | 63.9 Ų | 63.9 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | trans | 80.9 | 161.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M277 L285 | M277-G281 WeakPolarHBondContact O-CA 3.39Å; M277-G281 PolarHBondContact O-N 3.2Å; G281-L285 WeakPolarHBondContact O-CG 3.5Å; G281-L285 PolarHBondContact O-N 3.08Å | ||
| 282 | K | 90.9 | Very high | 93.6 | Very high | 36 Ų | 36 | 58.7 Ų | 58.7 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.5 | -39.3 | -173.4 | -63 | 161.6 | -163.6 | -86.7 | 0 | 112.1 | M277 L285 M286 I326 Y330 D333 | M277-K282 HydrophobicContact CG-CG 3.84Å; M277-K282 HydrophobicContact SD-CG 4.07Å; M277-K282 PolarHBondContact SD-NZ 3.35Å; K282-L285 PolarHBondContact O-N 3.46Å; K282-M286 WeakPolarHBondContact O-CB 3.31Å; K282-M286 VanDerWaalsContact O-CG 3.3Å; K282-M286 WeakPolarHBondContact O-CG 3.48Å; K282-M286 PolarHBondContact O-N 3.49Å; K282-I326 HydrophobicContact CB-CG2 3.99Å; K282-I326 HydrophobicContact CG-CG2 4.15Å; K282-Y330 HydrophobicContact CB-CD1 3.86Å; K282-Y330 HydrophobicContact CB-CE1 3.93Å; K282-Y330 HydrophobicContact CB-CG 4.17Å; K282-Y330 HydrophobicContact CD-CD2 4.22Å; K282-Y330 HydrophobicContact CD-CG 4.3Å; K282-D333 WeakPolarHBondContact CE-OD2 3.47Å; K282-D333 IonicContact NZ-OD2 3.31Å; K282-D333 PolarHBondContact NZ-OD2 3.07Å |
| 283 | R | 93.8 | Very high | 93.9 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 25% | 0.249 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | -179.5 | -169.7 | 170.6 | 64.5 | 154.7 | 6 | 111.4 | M286 L287 L388 I391 D393 | R283-M286 PolarHBondContact O-N 3.41Å; R283-L287 WeakPolarHBondContact O-CG 3.32Å; R283-L287 PolarHBondContact O-N 3.17Å; R283-L388 HydrophobicContact CG-CD1 4.13Å; R283-L388 HydrophobicContact CG-CG 4.13Å; R283-I391 PolarHBondContact NH1-O 3.03Å; R283-D393 WeakPolarHBondContact CB-OD1 3.5Å; R283-D393 WeakPolarHBondContact CD-OD1 3.43Å; R283-D393 VanDerWaalsContact CZ-CG 3.46Å; R283-D393 IonicContact CZ-OD1 3.31Å; R283-D393 IonicContact CZ-OD2 3.38Å; R283-D393 IonicContact NE-OD1 2.98Å; R283-D393 PolarHBondContact NE-OD1 3.41Å; R283-D393 IonicContact NE-OD2 2.7Å; R283-D393 PolarHBondContact NE-OD2 2.87Å; R283-D393 VanDerWaalsContact NH2-CG 3.35Å; R283-D393 IonicContact NH2-OD1 2.73Å; R283-D393 IonicContact NH2-OD2 3.62Å; R283-D393 PolarHBondContact NH2-OD2 2.99Å |
| 284 | L | 94.6 | Very high | 94.1 | Very high | 86 Ų | 86 | 56.3 Ų | 56.3 | 45% | 0.45 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 177.1 | -171.8 | 60.5 | 0 | 0 | 0 | 111.7 | I280 M286 L287 I288 | I280-L284 HydrophobicContact CB-CD2 4.18Å; I280-L284 WeakPolarHBondContact O-CB 3.22Å; L284-M286 VanDerWaalsContact C-N 3.35Å; L284-M286 PolarHBondContact O-N 3.31Å; L284-L287 WeakPolarHBondContact O-CB 3.22Å; L284-L287 PolarHBondContact O-N 3.34Å; L284-I288 HydrophobicContact CG-CD1 4.25Å; L284-I288 VanDerWaalsContact O-CG1 3.29Å; L284-I288 WeakPolarHBondContact O-CG1 3.48Å; L284-I288 PolarHBondContact O-N 3.16Å |
| 285 | L | 95.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 173.2 | -80.2 | 168.9 | 0 | 0 | 0 | 112 | A273 M277 I280 G281 K282 L287 I288 A289 I322 I326 | A273-L285 HydrophobicContact CB-CD2 4.42Å; A273-L285 WeakPolarHBondContact O-CD1 3.48Å; M277-L285 VanDerWaalsContact CA-CD1 3.43Å; M277-L285 HydrophobicContact CB-CD1 3.81Å; M277-L285 HydrophobicContact CG-CD1 4.29Å; I280-L285 HydrophobicContact CD1-CD2 3.65Å; I280-L285 HydrophobicContact CD1-CG 3.74Å; I280-L285 HydrophobicContact CG1-CD1 4.4Å; I280-L285 HydrophobicContact CG1-CD2 4.31Å; I280-L285 HydrophobicContact CG1-CG 3.97Å; G281-L285 WeakPolarHBondContact O-CG 3.5Å; G281-L285 PolarHBondContact O-N 3.08Å; K282-L285 PolarHBondContact O-N 3.46Å; L285-L287 VanDerWaalsContact C-N 3.3Å; L285-L287 PolarHBondContact O-N 3.44Å; L285-I288 WeakPolarHBondContact O-CB 3.23Å; L285-I288 PolarHBondContact O-N 2.97Å; L285-A289 PolarHBondContact O-N 3.01Å; L285-I322 HydrophobicContact CB-CG2 4.14Å; L285-I322 HydrophobicContact CD2-CD1 4.29Å; L285-I322 WeakPolarHBondContact O-CG2 3.47Å; L285-I326 HydrophobicContact CB-CG1 4.39Å; L285-I326 HydrophobicContact CB-CG2 4.32Å; L285-I326 HydrophobicContact CD1-CD1 3.9Å; L285-I326 HydrophobicContact CD1-CG1 3.99Å |
| 286 | M | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -36 | 176.6 | -70.7 | -64.4 | -65.9 | 0 | 0 | 112.1 | V225 M229 K282 R283 L284 A289 I290 I322 L323 I326 Y330 L388 | V225-M286 HydrophobicContact CG1-CE 4.2Å; M229-M286 HydrophobicContact CE-CE 3.84Å; M229-M286 HydrophobicContact SD-CE 3.51Å; M229-M286 VanDerWaalsContact SD-CE 3.51Å; K282-M286 WeakPolarHBondContact O-CB 3.31Å; K282-M286 VanDerWaalsContact O-CG 3.3Å; K282-M286 WeakPolarHBondContact O-CG 3.48Å; K282-M286 PolarHBondContact O-N 3.49Å; R283-M286 PolarHBondContact O-N 3.41Å; L284-M286 VanDerWaalsContact C-N 3.35Å; L284-M286 PolarHBondContact O-N 3.31Å; M286-A289 WeakPolarHBondContact O-CB 3.38Å; M286-A289 PolarHBondContact O-N 3.1Å; M286-I290 VanDerWaalsContact O-CG1 3.31Å; M286-I290 WeakPolarHBondContact O-CG1 3.41Å; M286-I290 PolarHBondContact O-N 2.86Å; M286-I322 HydrophobicContact SD-CG2 4.2Å; M286-L323 HydrophobicContact CE-CD1 4.36Å; M286-I326 HydrophobicContact CG-CG2 4.16Å; M286-I326 HydrophobicContact SD-CB 4.38Å; M286-I326 HydrophobicContact SD-CG2 4.27Å; M286-Y330 HydrophobicContact CG-CD1 4.04Å; M286-Y330 HydrophobicContact CG-CE1 4.4Å; M286-L388 HydrophobicContact CB-CD1 4.19Å; M286-L388 HydrophobicContact CB-CD2 3.52Å |
| 287 | L | 97 | Very high | 94.9 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 172.2 | -74.6 | 169.2 | 0 | 0 | 0 | 111.7 | R283 L284 L285 A289 I290 V291 M385 L388 L389 | R283-L287 WeakPolarHBondContact O-CG 3.32Å; R283-L287 PolarHBondContact O-N 3.17Å; L284-L287 WeakPolarHBondContact O-CB 3.22Å; L284-L287 PolarHBondContact O-N 3.34Å; L285-L287 VanDerWaalsContact C-N 3.3Å; L285-L287 PolarHBondContact O-N 3.44Å; L287-A289 VanDerWaalsContact C-N 3.28Å; L287-A289 PolarHBondContact O-N 2.85Å; L287-I290 PolarHBondContact O-N 2.98Å; L287-V291 WeakPolarHBondContact O-CG2 3.36Å; L287-V291 PolarHBondContact O-N 3.48Å; L287-M385 HydrophobicContact CD2-CG 3.85Å; L287-L388 HydrophobicContact CB-CD2 4.5Å; L287-L388 HydrophobicContact CD2-CD2 3.79Å; L287-L388 HydrophobicContact CD2-CG 4.44Å; L287-L388 HydrophobicContact CG-CD2 3.73Å; L287-L388 HydrophobicContact CG-CG 4.49Å; L287-L389 HydrophobicContact CD1-CD2 4.18Å; L287-L389 HydrophobicContact CD2-CD2 4.16Å |
| 288 | I | 97.3 | Very high | 95.2 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 35% | 0.354 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.2 | -43.3 | 174.2 | -67.9 | 166.2 | 0 | 0 | 0 | 110 | I280 L284 L285 V291 S292 I318 I322 | I280-I288 HydrophobicContact CD1-CD1 3.99Å; L284-I288 HydrophobicContact CG-CD1 4.25Å; L284-I288 VanDerWaalsContact O-CG1 3.29Å; L284-I288 WeakPolarHBondContact O-CG1 3.48Å; L284-I288 PolarHBondContact O-N 3.16Å; L285-I288 WeakPolarHBondContact O-CB 3.23Å; L285-I288 PolarHBondContact O-N 2.97Å; I288-V291 PolarHBondContact O-N 3.19Å; I288-S292 VanDerWaalsContact O-CB 3.23Å; I288-S292 WeakPolarHBondContact O-CB 3.03Å; I288-S292 PolarHBondContact O-N 3.4Å; I288-I318 HydrophobicContact CG2-CG2 4.11Å; I288-I322 HydrophobicContact CB-CD1 4.44Å; I288-I322 HydrophobicContact CG2-CD1 4.1Å |
| 289 | A | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -47.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M229 L285 M286 L287 S292 G293 F319 I322 | M229-A289 HydrophobicContact CE-CB 3.9Å; L285-A289 PolarHBondContact O-N 3.01Å; M286-A289 WeakPolarHBondContact O-CB 3.38Å; M286-A289 PolarHBondContact O-N 3.1Å; L287-A289 VanDerWaalsContact C-N 3.28Å; L287-A289 PolarHBondContact O-N 2.85Å; A289-S292 PolarHBondContact O-N 3.1Å; A289-G293 PolarHBondContact O-N 3.42Å; A289-F319 HydrophobicContact CB-CD2 4.33Å; A289-F319 VanDerWaalsContact O-CD2 3.23Å; A289-F319 WeakPolarHBondContact O-CD2 3.45Å; A289-I322 HydrophobicContact CB-CB 3.72Å; A289-I322 HydrophobicContact CB-CD1 4.11Å; A289-I322 HydrophobicContact CB-CG1 4.5Å; A289-I322 HydrophobicContact CB-CG2 3.7Å |
| 290 | I | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.1 | -47.9 | 178.9 | -70 | 168.7 | 0 | 0 | 0 | 111 | V225 M229 M286 L287 S292 G293 M294 L381 A384 M385 L388 | V225-I290 HydrophobicContact CG1-CD1 4.41Å; M229-I290 HydrophobicContact CE-CG1 3.93Å; M229-I290 HydrophobicContact CG-CG1 4.22Å; M229-I290 HydrophobicContact SD-CD1 4.22Å; M229-I290 HydrophobicContact SD-CG1 3.87Å; M286-I290 VanDerWaalsContact O-CG1 3.31Å; M286-I290 WeakPolarHBondContact O-CG1 3.41Å; M286-I290 PolarHBondContact O-N 2.86Å; L287-I290 PolarHBondContact O-N 2.98Å; I290-S292 VanDerWaalsContact C-N 3.33Å; I290-S292 PolarHBondContact O-N 3.36Å; I290-G293 PolarHBondContact O-N 3.44Å; I290-M294 HydrophobicContact CG2-CE 3.81Å; I290-M294 HydrophobicContact CG2-SD 4.38Å; I290-M294 WeakPolarHBondContact O-CG 3.35Å; I290-M294 PolarHBondContact O-N 3.09Å; I290-L381 HydrophobicContact CG2-CB 4.16Å; I290-L381 WeakPolarHBondContact CG2-O 3.4Å; I290-A384 HydrophobicContact CD1-CB 4.05Å; I290-M385 HydrophobicContact CG2-CB 4.01Å; I290-M385 HydrophobicContact CG2-CG 4.44Å; I290-L388 HydrophobicContact CD1-CD2 3.71Å |
| 291 | V | 98.1 | Very high | 95.2 | Very high | 72 Ų | 72 | 29.2 Ų | 29.2 | 44% | 0.436 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L287 I288 G293 M294 C295 | L287-V291 WeakPolarHBondContact O-CG2 3.36Å; L287-V291 PolarHBondContact O-N 3.48Å; I288-V291 PolarHBondContact O-N 3.19Å; V291-G293 VanDerWaalsContact C-N 3.33Å; V291-G293 PolarHBondContact O-N 3.1Å; V291-M294 PolarHBondContact O-N 3.23Å; V291-C295 WeakPolarHBondContact O-CB 3.41Å; V291-C295 PolarHBondContact O-N 3.27Å; V291-C295 PolarHBondContact O-SG 3.07Å |
| 292 | S | 98 | Very high | 95.1 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 175.4 | -167.2 | 0 | 0 | 0 | 0 | 111.9 | I288 A289 I290 C295 F296 L315 I318 | I288-S292 VanDerWaalsContact O-CB 3.23Å; I288-S292 WeakPolarHBondContact O-CB 3.03Å; I288-S292 PolarHBondContact O-N 3.4Å; A289-S292 PolarHBondContact O-N 3.1Å; I290-S292 VanDerWaalsContact C-N 3.33Å; I290-S292 PolarHBondContact O-N 3.36Å; S292-C295 PolarHBondContact O-N 3.04Å; S292-F296 VanDerWaalsContact O-CB 3.28Å; S292-F296 WeakPolarHBondContact O-CB 3.48Å; S292-F296 PolarHBondContact O-N 3.21Å; S292-L315 WeakPolarHBondContact OG-CA 3.3Å; S292-L315 PolarHBondContact OG-O 3.49Å; S292-I318 WeakPolarHBondContact OG-CB 3.47Å |
| 293 | G | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A289 I290 V291 F296 Y297 | A289-G293 PolarHBondContact O-N 3.42Å; I290-G293 PolarHBondContact O-N 3.44Å; V291-G293 VanDerWaalsContact C-N 3.33Å; V291-G293 PolarHBondContact O-N 3.1Å; G293-F296 WeakPolarHBondContact O-CB 3.39Å; G293-F296 PolarHBondContact O-N 3.39Å; G293-Y297 WeakPolarHBondContact O-CD2 3.46Å; G293-Y297 PolarHBondContact O-N 3.46Å |
| 294 | M | 97.7 | Very high | 94.1 | Very high | 35 Ų | 35 | 36 Ų | 36 | 17% | 0.172 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 175.4 | -71.8 | 178.5 | 176 | 0 | 0 | 111.6 | I290 V291 F296 Y297 A298 I378 L381 G382 M385 | I290-M294 HydrophobicContact CG2-CE 3.81Å; I290-M294 HydrophobicContact CG2-SD 4.38Å; I290-M294 WeakPolarHBondContact O-CG 3.35Å; I290-M294 PolarHBondContact O-N 3.09Å; V291-M294 PolarHBondContact O-N 3.23Å; M294-F296 VanDerWaalsContact C-N 3.32Å; M294-F296 PolarHBondContact O-N 2.98Å; M294-Y297 PolarHBondContact O-N 2.74Å; M294-A298 VanDerWaalsContact O-CB 3.28Å; M294-A298 WeakPolarHBondContact O-CB 3.43Å; M294-A298 PolarHBondContact O-N 2.94Å; M294-I378 HydrophobicContact CG-CG2 4.46Å; M294-L381 HydrophobicContact CB-CD1 4.5Å; M294-L381 HydrophobicContact CE-CB 3.72Å; M294-L381 WeakPolarHBondContact CE-O 3.11Å; M294-L381 HydrophobicContact CG-CB 3.81Å; M294-L381 HydrophobicContact CG-CD1 3.86Å; M294-G382 VanDerWaalsContact CE-CA 3.45Å; M294-M385 HydrophobicContact CE-CB 4.43Å; M294-M385 HydrophobicContact CE-CE 4.49Å; M294-M385 HydrophobicContact CE-SD 4.4Å |
| 295 | C | 97.2 | Very high | 93.8 | Very high | 58 Ų | 58 | 34.8 Ų | 34.8 | 39% | 0.392 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 175.6 | -69.3 | 0 | 0 | 0 | 0 | 110.9 | V291 S292 A298 S299 L315 | V291-C295 WeakPolarHBondContact O-CB 3.41Å; V291-C295 PolarHBondContact O-N 3.27Å; V291-C295 PolarHBondContact O-SG 3.07Å; S292-C295 PolarHBondContact O-N 3.04Å; C295-A298 PolarHBondContact O-N 2.94Å; C295-S299 VanDerWaalsContact O-CB 3.3Å; C295-S299 WeakPolarHBondContact O-CB 3.48Å; C295-S299 PolarHBondContact O-N 3.11Å; C295-S299 PolarHBondContact O-OG 3.32Å; C295-L315 HydrophobicContact CB-CD1 4.07Å |
| 296 | F | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.8 | -56.4 | 175.9 | 174.1 | -112.1 | 0 | 0 | 0 | 111.6 | Y236 S292 G293 M294 A298 S299 V300 L312 L315 N316 | Y236-F296 HydrophobicContact CD1-CE1 4.27Å; Y236-F296 HydrophobicContact CD2-CE1 4.17Å; Y236-F296 HydrophobicContact CE1-CE1 4.07Å; Y236-F296 AromaticContact CE1-CZ 3.97Å; Y236-F296 HydrophobicContact CE1-CZ 3.97Å; Y236-F296 AromaticContact CE2-CE1 3.94Å; Y236-F296 HydrophobicContact CE2-CE1 3.94Å; Y236-F296 AromaticContact CE2-CZ 3.83Å; Y236-F296 HydrophobicContact CE2-CZ 3.83Å; Y236-F296 HydrophobicContact CG-CE1 4.31Å; Y236-F296 AromaticContact CZ-CE1 3.89Å; Y236-F296 AromaticContact CZ-CZ 3.52Å; S292-F296 VanDerWaalsContact O-CB 3.28Å; S292-F296 WeakPolarHBondContact O-CB 3.48Å; S292-F296 PolarHBondContact O-N 3.21Å; G293-F296 WeakPolarHBondContact O-CB 3.39Å; G293-F296 PolarHBondContact O-N 3.39Å; M294-F296 VanDerWaalsContact C-N 3.32Å; M294-F296 PolarHBondContact O-N 2.98Å; F296-A298 VanDerWaalsContact C-N 3.34Å; F296-A298 PolarHBondContact O-N 3Å; F296-S299 PolarHBondContact O-N 3.43Å; F296-S299 VanDerWaalsContact O-N 3.17Å; F296-V300 HydrophobicContact CD2-CG2 4.21Å; F296-V300 HydrophobicContact CE1-CG2 4.3Å; F296-V300 HydrophobicContact CE2-CG2 3.78Å; F296-V300 HydrophobicContact CZ-CG2 3.83Å; F296-V300 WeakPolarHBondContact O-CG2 3.3Å; F296-V300 PolarHBondContact O-N 2.72Å; F296-L312 HydrophobicContact CD2-CB 3.89Å; F296-L312 WeakPolarHBondContact CD2-O 3.4Å; F296-L312 HydrophobicContact CE2-CB 3.84Å; F296-L315 HydrophobicContact CB-CB 3.87Å; F296-L315 HydrophobicContact CD2-CB 4.35Å; F296-N316 HydrophobicContact CD1-CB 4.25Å; F296-N316 HydrophobicContact CD2-CB 3.93Å; F296-N316 HydrophobicContact CE1-CB 4.13Å; F296-N316 HydrophobicContact CE2-CB 3.81Å; F296-N316 HydrophobicContact CG-CB 4.15Å; F296-N316 HydrophobicContact CZ-CB 3.91Å |
| 297 | Y | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -34.6 | -178.9 | -63.9 | -48.6 | 0 | 0 | 0 | 113.4 | A232 N233 Y236 G293 M294 L301 F374 A377 L381 | A232-Y297 HydrophobicContact CB-CE2 3.9Å; A232-Y297 PolarHBondContact O-OH 3.33Å; A232-Y297 VanDerWaalsContact O-OH 3.05Å; N233-Y297 WeakPolarHBondContact CA-OH 3.25Å; N233-Y297 PolarHBondContact N-OH 3.38Å; Y236-Y297 HydrophobicContact CD2-CE1 4.11Å; Y236-Y297 AromaticContact CG-CE1 3.95Å; Y236-Y297 HydrophobicContact CG-CE1 3.95Å; G293-Y297 WeakPolarHBondContact O-CD2 3.46Å; G293-Y297 PolarHBondContact O-N 3.46Å; M294-Y297 PolarHBondContact O-N 2.74Å; Y297-L301 PolarHBondContact O-N 2.95Å; Y297-F374 AromaticContact CD1-CD1 3.98Å; Y297-F374 HydrophobicContact CD1-CD1 3.98Å; Y297-A377 HydrophobicContact CD1-CB 4.4Å; Y297-A377 HydrophobicContact CD2-CB 3.71Å; Y297-A377 HydrophobicContact CE2-CB 3.85Å; Y297-A377 HydrophobicContact CG-CB 4.02Å; Y297-L381 HydrophobicContact CD2-CD1 3.81Å; Y297-L381 HydrophobicContact CE2-CD1 3.79Å |
| 298 | A | 94.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 31% | 0.314 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.2 | -37.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M294 C295 F296 L301 I378 | M294-A298 VanDerWaalsContact O-CB 3.28Å; M294-A298 WeakPolarHBondContact O-CB 3.43Å; M294-A298 PolarHBondContact O-N 2.94Å; C295-A298 PolarHBondContact O-N 2.94Å; F296-A298 VanDerWaalsContact C-N 3.34Å; F296-A298 PolarHBondContact O-N 3Å; A298-L301 WeakPolarHBondContact O-CB 3.42Å; A298-I378 HydrophobicContact CB-CD1 4.12Å |
| 299 | S | 93.5 | Very high | 92.6 | Very high | 42 Ų | 42 | 37.6 Ų | 37.6 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -74.3 | -35.3 | 178.2 | -65.2 | 0 | 0 | 0 | 0 | 112.9 | C295 F296 L301 M302 A303 | C295-S299 VanDerWaalsContact O-CB 3.3Å; C295-S299 WeakPolarHBondContact O-CB 3.48Å; C295-S299 PolarHBondContact O-N 3.11Å; C295-S299 PolarHBondContact O-OG 3.32Å; F296-S299 PolarHBondContact O-N 3.43Å; F296-S299 VanDerWaalsContact O-N 3.17Å; S299-L301 PolarHBondContact O-N 3.31Å; S299-M302 CarbonylContact O-C 3.56Å; S299-M302 PolarHBondContact O-N 3.31Å; S299-A303 WeakPolarHBondContact O-CB 3.26Å; S299-A303 PolarHBondContact O-N 2.94Å |
| 300 | V | 91.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -36.6 | 174 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | F243 F296 M302 A303 L312 F374 | F243-V300 HydrophobicContact CD1-CG1 4.41Å; F243-V300 HydrophobicContact CE1-CG1 3.71Å; F243-V300 HydrophobicContact CZ-CG1 4.32Å; F296-V300 HydrophobicContact CD2-CG2 4.21Å; F296-V300 HydrophobicContact CE1-CG2 4.3Å; F296-V300 HydrophobicContact CE2-CG2 3.78Å; F296-V300 HydrophobicContact CZ-CG2 3.83Å; F296-V300 WeakPolarHBondContact O-CG2 3.3Å; F296-V300 PolarHBondContact O-N 2.72Å; V300-M302 PolarHBondContact O-N 3.4Å; V300-M302 VanDerWaalsContact O-N 3.14Å; V300-A303 PolarHBondContact O-N 3.4Å; V300-L312 HydrophobicContact CG2-CD1 4.06Å; V300-F374 HydrophobicContact CB-CD1 4.47Å; V300-F374 HydrophobicContact CB-CE1 4.24Å; V300-F374 HydrophobicContact CG1-CD1 4.12Å; V300-F374 HydrophobicContact CG1-CE1 3.49Å; V300-F374 VanDerWaalsContact CG1-CE1 3.49Å; V300-F374 HydrophobicContact CG1-CE2 4.2Å; V300-F374 HydrophobicContact CG1-CZ 3.55Å |
| 301 | L | 87.1 | Confident | 92.2 | Very high | 33 Ų | 33 | 46 Ų | 46 | 17% | 0.173 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.6 | 174.6 | -72.5 | 168.5 | 0 | 0 | 0 | 114.4 | Y297 A298 S299 H371 F374 W375 | Y297-L301 PolarHBondContact O-N 2.95Å; A298-L301 WeakPolarHBondContact O-CB 3.42Å; S299-L301 PolarHBondContact O-N 3.31Å; L301-H371 HydrophobicContact CD2-CB 3.97Å; L301-F374 HydrophobicContact CD1-CB 3.95Å; L301-F374 HydrophobicContact CD2-CB 3.82Å; L301-F374 HydrophobicContact CD2-CD2 3.7Å; L301-F374 HydrophobicContact CD2-CG 4.11Å; L301-F374 HydrophobicContact CG-CB 3.75Å; L301-F374 HydrophobicContact CG-CD2 4.27Å; L301-F374 HydrophobicContact CG-CG 4.23Å; L301-W375 HydrophobicContact CD1-CD2 4.04Å; L301-W375 HydrophobicContact CD1-CG 4.38Å; L301-W375 HydrophobicContact CD1-CH2 4.48Å; L301-W375 HydrophobicContact CD1-CZ2 3.85Å |
| 302 | M | 88.1 | Confident | 92 | Very high | 159 Ų | 159 | 43.3 Ų | 43.3 | 78% | 0.783 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -11 | -179.2 | -57.5 | -179.2 | 68.7 | 0 | 0 | 112.4 | S299 V300 | S299-M302 CarbonylContact O-C 3.56Å; S299-M302 PolarHBondContact O-N 3.31Å; V300-M302 PolarHBondContact O-N 3.4Å; V300-M302 VanDerWaalsContact O-N 3.14Å |
| 303 | A | 84.3 | Confident | 91.9 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | -76.6 | 129.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L248 S299 V300 V308 E309 L312 | L248-A303 WeakPolarHBondContact CD2-O 3.47Å; S299-A303 WeakPolarHBondContact O-CB 3.26Å; S299-A303 PolarHBondContact O-N 2.94Å; V300-A303 PolarHBondContact O-N 3.4Å; A303-V308 HydrophobicContact CB-CB 4.39Å; A303-V308 HydrophobicContact CB-CG1 3.7Å; A303-E309 HydrophobicContact CB-CG 4.23Å; A303-E309 VanDerWaalsContact CB-OE1 3.25Å; A303-E309 WeakPolarHBondContact CB-OE1 3.45Å; A303-L312 HydrophobicContact CB-CD1 4Å | ||
| 304 | T | 81.1 | Confident | 91.8 | Very high | 108 Ų | 108 | 47.4 Ų | 47.4 | 66% | 0.663 | 28% | 0.276 | S | S | * | . | trans | -124.6 | -9.4 | -178.4 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 305 | T | 87.6 | Confident | 91.8 | Very high | 61 Ų | 61 | 48 Ų | 48 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -122.2 | 145.7 | -175.7 | 68.1 | 0 | 0 | 0 | 0 | 111.2 | A307 V308 E309 | T305-A307 PolarHBondContact O-N 3.31Å; T305-V308 PolarHBondContact O-N 2.99Å; T305-V308 VanDerWaalsContact O-N 3.16Å; T305-V308 VanDerWaalsContact OG1-CG2 3.26Å; T305-V308 WeakPolarHBondContact OG1-CG2 3.27Å; T305-E309 PolarHBondContact O-N 3.09Å |
| 306 | P | 88.1 | Confident | 91.7 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.7 | -38.4 | 177.6 | -26.9 | 33.1 | 0 | 0 | 0 | 113.8 | L250 L254 V308 E309 L310 | L250-P306 HydrophobicContact CD1-CG 4Å; L250-P306 HydrophobicContact CD2-CG 3.75Å; L250-P306 HydrophobicContact CG-CG 4.43Å; L254-P306 HydrophobicContact CD1-CB 4.1Å; L254-P306 HydrophobicContact CD2-CB 3.91Å; L254-P306 HydrophobicContact CD2-CG 4.37Å; P306-V308 VanDerWaalsContact C-N 3.34Å; P306-V308 PolarHBondContact O-N 3Å; P306-E309 PolarHBondContact O-N 2.83Å; P306-L310 VanDerWaalsContact O-CG 3.27Å; P306-L310 WeakPolarHBondContact O-CG 3.5Å; P306-L310 PolarHBondContact O-N 3.49Å |
| 307 | A | 90.2 | Very high | 91.7 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T305 L310 E311 | T305-A307 PolarHBondContact O-N 3.31Å; A307-L310 PolarHBondContact O-N 3.3Å; A307-E311 WeakPolarHBondContact O-CG 3.45Å; A307-E311 PolarHBondContact O-N 2.93Å |
| 308 | V | 91.8 | Very high | 91.7 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 177.6 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | A303 T305 P306 L310 E311 L312 | A303-V308 HydrophobicContact CB-CB 4.39Å; A303-V308 HydrophobicContact CB-CG1 3.7Å; T305-V308 PolarHBondContact O-N 2.99Å; T305-V308 VanDerWaalsContact O-N 3.16Å; T305-V308 VanDerWaalsContact OG1-CG2 3.26Å; T305-V308 WeakPolarHBondContact OG1-CG2 3.27Å; P306-V308 VanDerWaalsContact C-N 3.34Å; P306-V308 PolarHBondContact O-N 3Å; V308-L310 VanDerWaalsContact C-N 3.27Å; V308-L310 PolarHBondContact O-N 3.24Å; V308-E311 PolarHBondContact O-N 3.46Å; V308-L312 HydrophobicContact CG1-CD1 4.06Å; V308-L312 HydrophobicContact CG1-CG 4.24Å; V308-L312 WeakPolarHBondContact O-CB 3.5Å; V308-L312 VanDerWaalsContact O-CG 3.23Å; V308-L312 WeakPolarHBondContact O-CG 3.44Å; V308-L312 PolarHBondContact O-N 3.5Å |
| 309 | E | 90.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -36.4 | 177 | -76.1 | -64.3 | 167.9 | 0 | 0 | 113.3 | L248 M258 A303 T305 P306 Q313 | L248-E309 HydrophobicContact CD1-CG 4.35Å; M258-E309 HydrophobicContact CE-CB 3.82Å; M258-E309 HydrophobicContact CE-CG 4.32Å; M258-E309 WeakPolarHBondContact CE-OE2 3.39Å; M258-E309 HydrophobicContact SD-CB 3.95Å; A303-E309 HydrophobicContact CB-CG 4.23Å; A303-E309 VanDerWaalsContact CB-OE1 3.25Å; A303-E309 WeakPolarHBondContact CB-OE1 3.45Å; T305-E309 PolarHBondContact O-N 3.09Å; P306-E309 PolarHBondContact O-N 2.83Å; E309-Q313 PolarHBondContact O-NE2 3.47Å |
| 310 | L | 92.4 | Very high | 91.9 | Very high | 46 Ų | 46 | 44.1 Ų | 44.1 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.9 | -43.3 | 175 | -67.7 | 168.2 | 0 | 0 | 0 | 111.9 | L254 E257 M258 I261 P306 A307 V308 L312 Q313 | L254-L310 HydrophobicContact CD1-CD1 4.12Å; L254-L310 HydrophobicContact CD1-CD2 3.91Å; L254-L310 HydrophobicContact CD1-CG 3.92Å; E257-L310 HydrophobicContact CB-CD2 4.17Å; M258-L310 HydrophobicContact CG-CD2 3.95Å; I261-L310 HydrophobicContact CD1-CD2 3.57Å; P306-L310 VanDerWaalsContact O-CG 3.27Å; P306-L310 WeakPolarHBondContact O-CG 3.5Å; P306-L310 PolarHBondContact O-N 3.49Å; A307-L310 PolarHBondContact O-N 3.3Å; V308-L310 VanDerWaalsContact C-N 3.27Å; V308-L310 PolarHBondContact O-N 3.24Å; L310-L312 VanDerWaalsContact C-N 3.31Å; L310-L312 PolarHBondContact O-N 3.04Å; L310-Q313 VanDerWaalsContact O-CB 3.32Å; L310-Q313 WeakPolarHBondContact O-CB 3.46Å; L310-Q313 WeakPolarHBondContact O-CG 3.5Å; L310-Q313 PolarHBondContact O-N 2.88Å; L310-Q313 VanDerWaalsContact O-N 3.16Å |
| 311 | E | 94.2 | Very high | 92 | Very high | 129 Ų | 129 | 44.1 Ų | 44.1 | 60% | 0.603 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.8 | -38.2 | 176.9 | -73.9 | 174.5 | -170.9 | 0 | 0 | 112 | A307 V308 Q313 I314 | A307-E311 WeakPolarHBondContact O-CG 3.45Å; A307-E311 PolarHBondContact O-N 2.93Å; V308-E311 PolarHBondContact O-N 3.46Å; E311-Q313 PolarHBondContact O-N 3.5Å; E311-Q313 VanDerWaalsContact O-N 3.16Å; E311-I314 WeakPolarHBondContact O-CB 3.29Å; E311-I314 WeakPolarHBondContact O-CG1 3.48Å; E311-I314 PolarHBondContact O-N 2.89Å; E311-I314 VanDerWaalsContact O-N 3.08Å |
| 312 | L | 94.7 | Very high | 92.4 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -19.7 | 176.9 | -71.5 | 178.8 | 0 | 0 | 0 | 113.2 | F296 V300 A303 V308 L310 I314 L315 N316 | F296-L312 HydrophobicContact CD2-CB 3.89Å; F296-L312 WeakPolarHBondContact CD2-O 3.4Å; F296-L312 HydrophobicContact CE2-CB 3.84Å; V300-L312 HydrophobicContact CG2-CD1 4.06Å; A303-L312 HydrophobicContact CB-CD1 4Å; V308-L312 HydrophobicContact CG1-CD1 4.06Å; V308-L312 HydrophobicContact CG1-CG 4.24Å; V308-L312 WeakPolarHBondContact O-CB 3.5Å; V308-L312 VanDerWaalsContact O-CG 3.23Å; V308-L312 WeakPolarHBondContact O-CG 3.44Å; V308-L312 PolarHBondContact O-N 3.5Å; L310-L312 VanDerWaalsContact C-N 3.31Å; L310-L312 PolarHBondContact O-N 3.04Å; L312-I314 PolarHBondContact O-N 3.33Å; L312-I314 VanDerWaalsContact O-N 3.13Å; L312-L315 HydrophobicContact CD2-CD1 3.97Å; L312-L315 WeakPolarHBondContact O-CB 3.47Å; L312-L315 PolarHBondContact O-N 2.88Å; L312-N316 PolarHBondContact O-N 3.3Å |
| 313 | Q | 94.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -18.8 | 173.8 | -58.1 | -46.3 | -49.4 | 0 | 0 | 113.1 | M258 I261 A262 E309 L310 E311 N316 A317 | M258-Q313 HydrophobicContact CB-CG 4.14Å; M258-Q313 HydrophobicContact CG-CG 4.34Å; I261-Q313 HydrophobicContact CG2-CB 4Å; A262-Q313 HydrophobicContact CB-CB 4.28Å; E309-Q313 PolarHBondContact O-NE2 3.47Å; L310-Q313 VanDerWaalsContact O-CB 3.32Å; L310-Q313 WeakPolarHBondContact O-CB 3.46Å; L310-Q313 WeakPolarHBondContact O-CG 3.5Å; L310-Q313 PolarHBondContact O-N 2.88Å; L310-Q313 VanDerWaalsContact O-N 3.16Å; E311-Q313 PolarHBondContact O-N 3.5Å; E311-Q313 VanDerWaalsContact O-N 3.16Å; Q313-N316 PolarHBondContact O-N 3.43Å; Q313-N316 PolarHBondContact OE1-ND2 3.23Å; Q313-A317 VanDerWaalsContact O-CB 3.22Å; Q313-A317 WeakPolarHBondContact O-CB 3.42Å; Q313-A317 PolarHBondContact O-N 2.9Å |
| 314 | I | 96.2 | Very high | 93.1 | Very high | 93 Ų | 93 | 35.6 Ų | 35.6 | 48% | 0.477 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 171 | -62.1 | 171.1 | 0 | 0 | 0 | 110.4 | L265 E311 L312 N316 A317 I318 | L265-I314 HydrophobicContact CD1-CG1 3.96Å; E311-I314 WeakPolarHBondContact O-CB 3.29Å; E311-I314 WeakPolarHBondContact O-CG1 3.48Å; E311-I314 PolarHBondContact O-N 2.89Å; E311-I314 VanDerWaalsContact O-N 3.08Å; L312-I314 PolarHBondContact O-N 3.33Å; L312-I314 VanDerWaalsContact O-N 3.13Å; I314-N316 VanDerWaalsContact C-N 3.34Å; I314-A317 PolarHBondContact O-N 3.5Å; I314-I318 HydrophobicContact CG2-CD1 4.37Å; I314-I318 WeakPolarHBondContact O-CG1 3.28Å; I314-I318 PolarHBondContact O-N 2.89Å |
| 315 | L | 96.9 | Very high | 93.4 | Very high | 48 Ų | 48 | 31.1 Ų | 31.1 | 25% | 0.251 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.8 | -39.1 | 177.5 | -66 | 176.3 | 0 | 0 | 0 | 111.3 | S292 C295 F296 L312 A317 I318 F319 | S292-L315 WeakPolarHBondContact OG-CA 3.3Å; S292-L315 PolarHBondContact OG-O 3.49Å; C295-L315 HydrophobicContact CB-CD1 4.07Å; F296-L315 HydrophobicContact CB-CB 3.87Å; F296-L315 HydrophobicContact CD2-CB 4.35Å; L312-L315 HydrophobicContact CD2-CD1 3.97Å; L312-L315 WeakPolarHBondContact O-CB 3.47Å; L312-L315 PolarHBondContact O-N 2.88Å; L315-A317 VanDerWaalsContact C-N 3.34Å; L315-I318 PolarHBondContact O-N 3.45Å; L315-F319 PolarHBondContact O-N 3.37Å |
| 316 | N | 96.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.2 | -166.3 | 21.9 | 0 | 0 | 0 | 111.5 | F296 L312 Q313 I314 F319 L320 | F296-N316 HydrophobicContact CD1-CB 4.25Å; F296-N316 HydrophobicContact CD2-CB 3.93Å; F296-N316 HydrophobicContact CE1-CB 4.13Å; F296-N316 HydrophobicContact CE2-CB 3.81Å; F296-N316 HydrophobicContact CG-CB 4.15Å; F296-N316 HydrophobicContact CZ-CB 3.91Å; L312-N316 PolarHBondContact O-N 3.3Å; Q313-N316 PolarHBondContact O-N 3.43Å; Q313-N316 PolarHBondContact OE1-ND2 3.23Å; I314-N316 VanDerWaalsContact C-N 3.34Å; N316-F319 WeakPolarHBondContact O-CB 3.29Å; N316-F319 PolarHBondContact O-N 3.23Å; N316-L320 PolarHBondContact O-N 3.3Å |
| 317 | A | 95.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L265 M269 Q313 I314 L315 G321 | L265-A317 HydrophobicContact CB-CB 3.43Å; L265-A317 VanDerWaalsContact CB-CB 3.43Å; M269-A317 WeakPolarHBondContact CG-O 3.44Å; Q313-A317 VanDerWaalsContact O-CB 3.22Å; Q313-A317 WeakPolarHBondContact O-CB 3.42Å; Q313-A317 PolarHBondContact O-N 2.9Å; I314-A317 PolarHBondContact O-N 3.5Å; L315-A317 VanDerWaalsContact C-N 3.34Å; A317-G321 WeakPolarHBondContact O-CA 3.23Å; A317-G321 PolarHBondContact O-N 3.38Å |
| 318 | I | 96.7 | Very high | 93.7 | Very high | 35 Ų | 35 | 24.3 Ų | 24.3 | 18% | 0.179 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 169.8 | -66.2 | 165.5 | 0 | 0 | 0 | 110.4 | M269 I288 S292 I314 L315 I322 | M269-I318 HydrophobicContact CE-CD1 4.34Å; M269-I318 HydrophobicContact CE-CG1 3.42Å; M269-I318 VanDerWaalsContact CE-CG1 3.42Å; M269-I318 HydrophobicContact CG-CB 4.43Å; M269-I318 HydrophobicContact CG-CG1 4.25Å; M269-I318 HydrophobicContact SD-CB 4.39Å; M269-I318 HydrophobicContact SD-CG1 3.77Å; I288-I318 HydrophobicContact CG2-CG2 4.11Å; S292-I318 WeakPolarHBondContact OG-CB 3.47Å; I314-I318 HydrophobicContact CG2-CD1 4.37Å; I314-I318 WeakPolarHBondContact O-CG1 3.28Å; I314-I318 PolarHBondContact O-N 2.89Å; L315-I318 PolarHBondContact O-N 3.45Å; I318-I322 HydrophobicContact CG2-CD1 3.88Å; I318-I322 WeakPolarHBondContact O-CB 3.43Å; I318-I322 WeakPolarHBondContact O-CD1 3.28Å; I318-I322 VanDerWaalsContact O-CG1 3.26Å; I318-I322 WeakPolarHBondContact O-CG1 3.39Å; I318-I322 PolarHBondContact O-N 2.85Å |
| 319 | F | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -55.1 | 179.5 | 170.5 | -132.6 | 0 | 0 | 0 | 112 | M229 N233 A289 L315 N316 L323 L381 | M229-F319 HydrophobicContact CB-CE2 3.9Å; M229-F319 HydrophobicContact CB-CZ 3.99Å; M229-F319 HydrophobicContact CE-CD2 3.94Å; M229-F319 HydrophobicContact CE-CE2 3.51Å; M229-F319 HydrophobicContact CG-CE2 4.06Å; M229-F319 WeakPolarHBondContact O-CZ 3.31Å; N233-F319 HydrophobicContact CB-CE1 4.04Å; A289-F319 HydrophobicContact CB-CD2 4.33Å; A289-F319 VanDerWaalsContact O-CD2 3.23Å; A289-F319 WeakPolarHBondContact O-CD2 3.45Å; L315-F319 PolarHBondContact O-N 3.37Å; N316-F319 WeakPolarHBondContact O-CB 3.29Å; N316-F319 PolarHBondContact O-N 3.23Å; F319-L323 WeakPolarHBondContact O-CB 3.5Å; F319-L323 PolarHBondContact O-N 3.32Å; F319-L381 HydrophobicContact CE2-CD2 3.87Å; F319-L381 HydrophobicContact CZ-CD2 3.91Å |
| 320 | L | 95.2 | Very high | 93.6 | Very high | 16 Ų | 16 | 24.4 Ų | 24.4 | 8% | 0.084 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73.1 | -41.7 | -176.2 | -64.3 | 177.8 | 0 | 0 | 0 | 113.2 | N233 E266 N316 I322 L323 C324 | N233-L320 HydrophobicContact CB-CD2 3.93Å; N233-L320 VanDerWaalsContact CG-CD2 3.48Å; N233-L320 WeakPolarHBondContact ND2-CD1 3.48Å; N233-L320 WeakPolarHBondContact ND2-CD2 3.49Å; E266-L320 HydrophobicContact CG-CB 4.2Å; N316-L320 PolarHBondContact O-N 3.3Å; L320-I322 VanDerWaalsContact C-N 3.27Å; L320-I322 PolarHBondContact O-N 3.44Å; L320-L323 HydrophobicContact CD2-CD2 4.41Å; L320-L323 PolarHBondContact O-N 2.99Å; L320-L323 VanDerWaalsContact O-N 3.14Å; L320-C324 VanDerWaalsContact O-CB 3.22Å; L320-C324 WeakPolarHBondContact O-CB 3.23Å; L320-C324 PolarHBondContact O-N 2.82Å; L320-C324 PolarHBondContact O-SG 3.09Å; L320-C324 VanDerWaalsContact O-SG 3.4Å |
| 321 | G | 93 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.3 | -40 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A317 G325 | A317-G321 WeakPolarHBondContact O-CA 3.23Å; A317-G321 PolarHBondContact O-N 3.38Å; G321-G325 PolarHBondContact O-N 2.92Å; G321-G325 VanDerWaalsContact O-N 3.07Å |
| 322 | I | 95.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -71.8 | -45.6 | 174.4 | -63.5 | 172.2 | 0 | 0 | 0 | 111.1 | A273 L285 M286 I288 A289 I318 L320 C324 G325 I326 G327 | A273-I322 HydrophobicContact CB-CG1 3.76Å; L285-I322 HydrophobicContact CB-CG2 4.14Å; L285-I322 HydrophobicContact CD2-CD1 4.29Å; L285-I322 WeakPolarHBondContact O-CG2 3.47Å; M286-I322 HydrophobicContact SD-CG2 4.2Å; I288-I322 HydrophobicContact CB-CD1 4.44Å; I288-I322 HydrophobicContact CG2-CD1 4.1Å; A289-I322 HydrophobicContact CB-CB 3.72Å; A289-I322 HydrophobicContact CB-CD1 4.11Å; A289-I322 HydrophobicContact CB-CG1 4.5Å; A289-I322 HydrophobicContact CB-CG2 3.7Å; I318-I322 HydrophobicContact CG2-CD1 3.88Å; I318-I322 WeakPolarHBondContact O-CB 3.43Å; I318-I322 WeakPolarHBondContact O-CD1 3.28Å; I318-I322 VanDerWaalsContact O-CG1 3.26Å; I318-I322 WeakPolarHBondContact O-CG1 3.39Å; I318-I322 PolarHBondContact O-N 2.85Å; L320-I322 VanDerWaalsContact C-N 3.27Å; L320-I322 PolarHBondContact O-N 3.44Å; I322-C324 VanDerWaalsContact C-N 3.33Å; I322-C324 PolarHBondContact O-N 2.9Å; I322-G325 PolarHBondContact O-N 2.89Å; I322-I326 HydrophobicContact CG2-CB 3.9Å; I322-I326 HydrophobicContact CG2-CG1 3.85Å; I322-I326 WeakPolarHBondContact O-CA 3.33Å; I322-I326 VanDerWaalsContact O-CB 3.3Å; I322-I326 WeakPolarHBondContact O-CB 3.47Å; I322-I326 PolarHBondContact O-N 3.06Å; I322-G327 PolarHBondContact O-N 3.35Å |
| 323 | L | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -58.4 | -44.8 | 178.7 | 175.6 | 60.1 | 0 | 0 | 0 | 112 | C226 M229 W230 M286 F319 L320 G327 Y346 | C226-L323 HydrophobicContact CB-CD1 4.31Å; M229-L323 HydrophobicContact CB-CD1 4.06Å; M229-L323 HydrophobicContact CB-CD2 3.87Å; M229-L323 HydrophobicContact CE-CB 4.07Å; M229-L323 HydrophobicContact CE-CD1 3.87Å; M229-L323 HydrophobicContact CE-CG 4.36Å; M229-L323 HydrophobicContact SD-CD1 3.97Å; W230-L323 HydrophobicContact CD2-CD2 3.88Å; W230-L323 HydrophobicContact CE3-CD2 4.42Å; W230-L323 HydrophobicContact CG-CD2 4.09Å; W230-L323 HydrophobicContact CZ2-CD2 4.23Å; W230-L323 HydrophobicContact CZ2-CG 4.35Å; M286-L323 HydrophobicContact CE-CD1 4.36Å; F319-L323 WeakPolarHBondContact O-CB 3.5Å; F319-L323 PolarHBondContact O-N 3.32Å; L320-L323 HydrophobicContact CD2-CD2 4.41Å; L320-L323 PolarHBondContact O-N 2.99Å; L320-L323 VanDerWaalsContact O-N 3.14Å; L323-G327 WeakPolarHBondContact O-CA 3.43Å; L323-G327 PolarHBondContact O-N 3.22Å; L323-Y346 WeakPolarHBondContact O-CE2 3.03Å; L323-Y346 PolarHBondContact O-OH 3.43Å |
| 324 | C | 91.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 20.2 Ų | 20.2 | 10% | 0.101 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -66.3 | -46 | 179 | -75.8 | 0 | 0 | 0 | 0 | 112.6 | E266 L320 I322 Y346 | E266-C324 WeakPolarHBondContact OE1-CB 3.37Å; E266-C324 PolarHBondContact OE1-SG 3.13Å; L320-C324 VanDerWaalsContact O-CB 3.22Å; L320-C324 WeakPolarHBondContact O-CB 3.23Å; L320-C324 PolarHBondContact O-N 2.82Å; L320-C324 PolarHBondContact O-SG 3.09Å; L320-C324 VanDerWaalsContact O-SG 3.4Å; I322-C324 VanDerWaalsContact C-N 3.33Å; I322-C324 PolarHBondContact O-N 2.9Å; C324-Y346 VanDerWaalsContact CA-OH 3.22Å; C324-Y346 WeakPolarHBondContact CA-OH 3.37Å |
| 325 | G | 87.9 | Confident | 91.7 | Very high | 13 Ų | 13 | 17.8 Ų | 17.8 | 13% | 0.134 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -82 | -65.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G321 I322 L329 | G321-G325 PolarHBondContact O-N 2.92Å; G321-G325 VanDerWaalsContact O-N 3.07Å; I322-G325 PolarHBondContact O-N 2.89Å; G325-L329 WeakPolarHBondContact O-CG 3.49Å; G325-L329 PolarHBondContact O-N 2.79Å |
| 326 | I | 91.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -71.7 | -38.4 | -172.1 | -54.9 | -57.9 | 0 | 0 | 0 | 111.4 | A273 M277 K282 L285 M286 I322 M328 L329 Y330 | A273-I326 HydrophobicContact CB-CD1 4.2Å; A273-I326 HydrophobicContact CB-CG1 3.96Å; M277-I326 HydrophobicContact CB-CD1 3.93Å; M277-I326 HydrophobicContact CG-CD1 4Å; M277-I326 HydrophobicContact SD-CD1 3.76Å; K282-I326 HydrophobicContact CB-CG2 3.99Å; K282-I326 HydrophobicContact CG-CG2 4.15Å; L285-I326 HydrophobicContact CB-CG1 4.39Å; L285-I326 HydrophobicContact CB-CG2 4.32Å; L285-I326 HydrophobicContact CD1-CD1 3.9Å; L285-I326 HydrophobicContact CD1-CG1 3.99Å; M286-I326 HydrophobicContact CG-CG2 4.16Å; M286-I326 HydrophobicContact SD-CB 4.38Å; M286-I326 HydrophobicContact SD-CG2 4.27Å; I322-I326 HydrophobicContact CG2-CB 3.9Å; I322-I326 HydrophobicContact CG2-CG1 3.85Å; I322-I326 WeakPolarHBondContact O-CA 3.33Å; I322-I326 VanDerWaalsContact O-CB 3.3Å; I322-I326 WeakPolarHBondContact O-CB 3.47Å; I322-I326 PolarHBondContact O-N 3.06Å; I326-M328 VanDerWaalsContact C-N 3.31Å; I326-M328 PolarHBondContact O-N 2.75Å; I326-L329 HydrophobicContact CD1-CD1 4.38Å; I326-L329 PolarHBondContact O-N 3.27Å; I326-L329 VanDerWaalsContact O-N 3.17Å; I326-Y330 WeakPolarHBondContact O-CB 3.5Å; I326-Y330 PolarHBondContact O-N 3.07Å |
| 327 | G | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -55.4 | -47.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I322 L323 Y330 F331 | I322-G327 PolarHBondContact O-N 3.35Å; L323-G327 WeakPolarHBondContact O-CA 3.43Å; L323-G327 PolarHBondContact O-N 3.22Å; G327-Y330 PolarHBondContact O-N 3.29Å; G327-F331 VanDerWaalsContact O-CD2 3.31Å; G327-F331 WeakPolarHBondContact O-CD2 3.34Å; G327-F331 PolarHBondContact O-N 3.32Å |
| 328 | M | 88.8 | Confident | 88.5 | Confident | 31 Ų | 31 | 29.5 Ų | 29.5 | 15% | 0.153 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 176 | 179.1 | 172.2 | 165.8 | 0 | 0 | 112.4 | R148 I326 Y330 F331 Q332 T343 Y346 | R148-M328 PolarHBondContact NH1-SD 3.41Å; I326-M328 VanDerWaalsContact C-N 3.31Å; I326-M328 PolarHBondContact O-N 2.75Å; M328-Y330 VanDerWaalsContact C-N 3.29Å; M328-Y330 PolarHBondContact O-N 3.28Å; M328-F331 PolarHBondContact O-N 2.81Å; M328-Q332 VanDerWaalsContact CE-NE2 3.3Å; M328-Q332 WeakPolarHBondContact O-CG 3.22Å; M328-Q332 PolarHBondContact O-N 3.28Å; M328-T343 HydrophobicContact CE-CG2 3.58Å; M328-T343 WeakPolarHBondContact CE-OG1 3.27Å; M328-T343 HydrophobicContact SD-CG2 4.29Å; M328-Y346 HydrophobicContact CB-CD1 3.87Å; M328-Y346 HydrophobicContact CB-CD2 4.42Å; M328-Y346 HydrophobicContact CB-CE1 4.01Å; M328-Y346 HydrophobicContact CB-CG 4.1Å; M328-Y346 HydrophobicContact CG-CD1 4.25Å |
| 329 | L | 88.3 | Confident | 87.3 | Confident | 56 Ų | 56 | 32.5 Ų | 32.5 | 29% | 0.293 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.5 | -36.8 | 178.4 | -69.5 | 171 | 0 | 0 | 0 | 111.9 | M277 G325 I326 F331 Q332 D333 | M277-L329 HydrophobicContact CE-CD1 3.92Å; M277-L329 HydrophobicContact SD-CB 4.36Å; M277-L329 HydrophobicContact SD-CD1 3.63Å; G325-L329 WeakPolarHBondContact O-CG 3.49Å; G325-L329 PolarHBondContact O-N 2.79Å; I326-L329 HydrophobicContact CD1-CD1 4.38Å; I326-L329 PolarHBondContact O-N 3.27Å; I326-L329 VanDerWaalsContact O-N 3.17Å; L329-F331 PolarHBondContact O-N 3.41Å; L329-Q332 PolarHBondContact O-N 3.33Å; L329-Q332 VanDerWaalsContact O-N 3.15Å; L329-D333 PolarHBondContact O-N 3.14Å |
| 330 | Y | 91.7 | Very high | 85.7 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66 | -39 | 179.7 | -153.2 | 163.5 | 0 | 0 | 0 | 111.6 | L222 K282 M286 I326 G327 M328 Q332 D333 L334 L388 I391 I394 | L222-Y330 HydrophobicContact CD1-CD1 3.95Å; L222-Y330 HydrophobicContact CD1-CE1 4.46Å; L222-Y330 HydrophobicContact CD1-CG 4.26Å; L222-Y330 HydrophobicContact CD2-CD1 4.39Å; L222-Y330 HydrophobicContact CD2-CD2 4.23Å; L222-Y330 HydrophobicContact CD2-CG 3.86Å; K282-Y330 HydrophobicContact CB-CD1 3.86Å; K282-Y330 HydrophobicContact CB-CE1 3.93Å; K282-Y330 HydrophobicContact CB-CG 4.17Å; K282-Y330 HydrophobicContact CD-CD2 4.22Å; K282-Y330 HydrophobicContact CD-CG 4.3Å; M286-Y330 HydrophobicContact CG-CD1 4.04Å; M286-Y330 HydrophobicContact CG-CE1 4.4Å; I326-Y330 WeakPolarHBondContact O-CB 3.5Å; I326-Y330 PolarHBondContact O-N 3.07Å; G327-Y330 PolarHBondContact O-N 3.29Å; M328-Y330 VanDerWaalsContact C-N 3.29Å; M328-Y330 PolarHBondContact O-N 3.28Å; Y330-Q332 VanDerWaalsContact C-N 3.34Å; Y330-Q332 PolarHBondContact O-N 3.05Å; Y330-D333 PolarHBondContact O-N 3.02Å; Y330-L334 HydrophobicContact CD2-CD1 4.1Å; Y330-L334 HydrophobicContact CD2-CG 4.32Å; Y330-L334 HydrophobicContact CE2-CD1 4.33Å; Y330-L334 WeakPolarHBondContact O-CG 3.22Å; Y330-L334 PolarHBondContact O-N 3.39Å; Y330-L334 VanDerWaalsContact O-N 3.11Å; Y330-L388 HydrophobicContact CE1-CD1 4.22Å; Y330-I391 HydrophobicContact CE2-CG2 4.42Å; Y330-I391 WeakPolarHBondContact OH-CG2 3.38Å; Y330-I394 HydrophobicContact CE2-CD1 4.17Å |
| 331 | F | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 170.3 | -86.1 | -76.9 | 0 | 0 | 0 | 112.4 | T219 L222 F223 C226 G327 M328 L329 D333 L334 M335 A342 L345 Y346 T349 | T219-F331 HydrophobicContact CG2-CD1 4.18Å; T219-F331 HydrophobicContact CG2-CE1 4.09Å; L222-F331 HydrophobicContact CB-CE1 4.34Å; L222-F331 HydrophobicContact CB-CZ 4.12Å; L222-F331 HydrophobicContact CD2-CB 4.44Å; L222-F331 HydrophobicContact CD2-CD1 4.02Å; L222-F331 HydrophobicContact CD2-CD2 3.62Å; L222-F331 HydrophobicContact CD2-CE1 4.1Å; L222-F331 HydrophobicContact CD2-CE2 3.72Å; L222-F331 HydrophobicContact CD2-CG 3.77Å; L222-F331 HydrophobicContact CD2-CZ 3.95Å; L222-F331 HydrophobicContact CG-CD2 4.11Å; L222-F331 HydrophobicContact CG-CE1 4.22Å; L222-F331 HydrophobicContact CG-CE2 3.67Å; L222-F331 HydrophobicContact CG-CZ 3.73Å; F223-F331 HydrophobicContact CB-CE1 4.41Å; F223-F331 HydrophobicContact CB-CZ 4.23Å; C226-F331 HydrophobicContact CB-CE2 4.18Å; G327-F331 VanDerWaalsContact O-CD2 3.31Å; G327-F331 WeakPolarHBondContact O-CD2 3.34Å; G327-F331 PolarHBondContact O-N 3.32Å; M328-F331 PolarHBondContact O-N 2.81Å; L329-F331 PolarHBondContact O-N 3.41Å; F331-D333 VanDerWaalsContact C-N 3.32Å; F331-D333 PolarHBondContact O-N 2.75Å; F331-L334 PolarHBondContact O-N 3Å; F331-M335 WeakPolarHBondContact O-CB 3.26Å; F331-M335 PolarHBondContact O-N 2.81Å; F331-A342 HydrophobicContact CB-CB 4.17Å; F331-L345 HydrophobicContact CD1-CD2 3.92Å; F331-L345 HydrophobicContact CD1-CG 4.26Å; F331-L345 HydrophobicContact CE1-CD2 3.69Å; F331-L345 HydrophobicContact CE1-CG 3.9Å; F331-Y346 AromaticContact CD2-CD2 3.72Å; F331-Y346 HydrophobicContact CD2-CD2 3.72Å; F331-Y346 HydrophobicContact CD2-CG 4.18Å; F331-Y346 AromaticContact CE2-CD2 3.86Å; F331-Y346 HydrophobicContact CE2-CD2 3.86Å; F331-T349 HydrophobicContact CE2-CG2 4.23Å; F331-T349 HydrophobicContact CZ-CG2 3.99Å |
| 332 | Q | 86.8 | Confident | 84 | Confident | 34 Ų | 34 | 37 Ų | 37 | 16% | 0.159 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -37.1 | -178.7 | -70.1 | 176.2 | -20.5 | 0 | 0 | 111.9 | M328 L329 Y330 M335 P336 I339 A342 T343 | M328-Q332 VanDerWaalsContact CE-NE2 3.3Å; M328-Q332 WeakPolarHBondContact O-CG 3.22Å; M328-Q332 PolarHBondContact O-N 3.28Å; L329-Q332 PolarHBondContact O-N 3.33Å; L329-Q332 VanDerWaalsContact O-N 3.15Å; Y330-Q332 VanDerWaalsContact C-N 3.34Å; Y330-Q332 PolarHBondContact O-N 3.05Å; Q332-M335 CarbonylContact O-C 3.06Å; Q332-M335 PolarHBondContact O-N 2.83Å; Q332-P336 VanDerWaalsContact O-CA 3.23Å; Q332-P336 WeakPolarHBondContact O-CA 3.34Å; Q332-I339 HydrophobicContact CG-CG2 3.96Å; Q332-A342 HydrophobicContact CG-CB 4.02Å; Q332-T343 PolarHBondContact NE2-OG1 3.19Å |
| 333 | D | 86.5 | Confident | 83.1 | Confident | 68 Ų | 68 | 38.9 Ų | 38.9 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -77.7 | -27.6 | 177.7 | -63.5 | -30.3 | 0 | 0 | 0 | 113.7 | K282 L329 Y330 F331 M335 P336 | K282-D333 WeakPolarHBondContact CE-OD2 3.47Å; K282-D333 IonicContact NZ-OD2 3.31Å; K282-D333 PolarHBondContact NZ-OD2 3.07Å; L329-D333 PolarHBondContact O-N 3.14Å; Y330-D333 PolarHBondContact O-N 3.02Å; F331-D333 VanDerWaalsContact C-N 3.32Å; F331-D333 PolarHBondContact O-N 2.75Å; D333-M335 VanDerWaalsContact C-N 3.27Å; D333-P336 WeakPolarHBondContact O-CD 3.43Å |
| 334 | L | 86.9 | Confident | 82.3 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.3 | -25.4 | 169.6 | -79.1 | 168.6 | 0 | 0 | 0 | 112.2 | D218 L222 Y330 F331 P336 I394 | D218-L334 HydrophobicContact CB-CD1 4.45Å; D218-L334 HydrophobicContact CB-CD2 3.68Å; L222-L334 HydrophobicContact CB-CD1 4.17Å; L222-L334 HydrophobicContact CD2-CD1 3.62Å; Y330-L334 HydrophobicContact CD2-CD1 4.1Å; Y330-L334 HydrophobicContact CD2-CG 4.32Å; Y330-L334 HydrophobicContact CE2-CD1 4.33Å; Y330-L334 WeakPolarHBondContact O-CG 3.22Å; Y330-L334 PolarHBondContact O-N 3.39Å; Y330-L334 VanDerWaalsContact O-N 3.11Å; F331-L334 PolarHBondContact O-N 3Å; L334-P336 VanDerWaalsContact C-CD 3.45Å; L334-I394 HydrophobicContact CD2-CD1 3.44Å; L334-I394 VanDerWaalsContact CD2-CD1 3.44Å; L334-I394 HydrophobicContact CG-CD1 3.78Å |
| 335 | M | 82.4 | Confident | 81.9 | Confident | 42 Ų | 42 | 43.9 Ų | 43.9 | 21% | 0.207 | 25% | 0.249 | C | C | . | . | trans | -129.8 | 55.2 | -176.8 | -58 | 178.5 | 66.9 | 0 | 0 | 112.2 | T219 F331 Q332 D333 E337 K338 A342 L345 | T219-M335 HydrophobicContact CG2-CG 4.2Å; T219-M335 HydrophobicContact CG2-SD 3.7Å; F331-M335 WeakPolarHBondContact O-CB 3.26Å; F331-M335 PolarHBondContact O-N 2.81Å; Q332-M335 CarbonylContact O-C 3.06Å; Q332-M335 PolarHBondContact O-N 2.83Å; D333-M335 VanDerWaalsContact C-N 3.27Å; M335-E337 PolarHBondContact O-N 3.44Å; M335-E337 VanDerWaalsContact O-N 3.14Å; M335-K338 CarbonylContact O-C 3.36Å; M335-K338 PolarHBondContact O-N 3.31Å; M335-A342 HydrophobicContact CB-CB 3.88Å; M335-A342 HydrophobicContact SD-CB 4.19Å; M335-L345 HydrophobicContact SD-CD2 3.82Å | ||
| 336 | P | 76.8 | Confident | 82 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -64.9 | -26.5 | -172.2 | 27.1 | -34.2 | 0 | 0 | 0 | 111.9 | Q332 D333 L334 K338 | Q332-P336 VanDerWaalsContact O-CA 3.23Å; Q332-P336 WeakPolarHBondContact O-CA 3.34Å; D333-P336 WeakPolarHBondContact O-CD 3.43Å; L334-P336 VanDerWaalsContact C-CD 3.45Å; P336-K338 VanDerWaalsContact C-N 3.26Å; P336-K338 PolarHBondContact O-N 3.34Å |
| 337 | E | 70.5 | Confident | 81.7 | Confident | 107 Ų | 107 | 46 Ų | 46 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -67.7 | -23.7 | 176.7 | -63.3 | 159.4 | -146.7 | 0 | 0 | 112.9 | R215 M335 | R215-E337 IonicContact CZ-OE1 2.55Å; R215-E337 IonicContact NH1-OE1 2.63Å; R215-E337 PolarHBondContact NH1-OE1 3.37Å; R215-E337 IonicContact NH2-OE1 3.2Å; R215-E337 PolarHBondContact NH2-OE1 3.26Å; M335-E337 PolarHBondContact O-N 3.44Å; M335-E337 VanDerWaalsContact O-N 3.14Å |
| 338 | K | 73.3 | Confident | 81.5 | Confident | 124 Ų | 124 | 47.9 Ų | 47.9 | 54% | 0.539 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -140.4 | 57.3 | -172.1 | -59.8 | -174.8 | -177.8 | -179.7 | 0 | 111.2 | M335 P336 G340 S341 A342 | M335-K338 CarbonylContact O-C 3.36Å; M335-K338 PolarHBondContact O-N 3.31Å; P336-K338 VanDerWaalsContact C-N 3.26Å; P336-K338 PolarHBondContact O-N 3.34Å; K338-G340 PolarHBondContact O-N 2.88Å; K338-G340 VanDerWaalsContact O-N 3.13Å; K338-S341 CarbonylContact O-C 3.55Å; K338-S341 WeakPolarHBondContact O-CA 3.38Å; K338-S341 WeakPolarHBondContact O-CB 3.41Å; K338-S341 PolarHBondContact O-N 2.77Å; K338-A342 PolarHBondContact O-N 3.06Å |
| 339 | I | 72.1 | Confident | 81.7 | Confident | 97 Ų | 97 | 46.4 Ų | 46.4 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -49 | -43.5 | 179.8 | -60.3 | 179.5 | 0 | 0 | 0 | 111.6 | Q332 A342 T343 | Q332-I339 HydrophobicContact CG-CG2 3.96Å; I339-A342 WeakPolarHBondContact O-CB 3.38Å; I339-A342 PolarHBondContact O-N 3.46Å; I339-T343 PolarHBondContact O-N 3.34Å; I339-T343 PolarHBondContact O-OG1 3.14Å; I339-T343 VanDerWaalsContact O-OG1 3.09Å |
| 340 | G | 64.3 | Low | 81.9 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K338 A342 T344 | K338-G340 PolarHBondContact O-N 2.88Å; K338-G340 VanDerWaalsContact O-N 3.13Å; G340-A342 VanDerWaalsContact C-N 3.34Å; G340-T344 WeakPolarHBondContact O-CB 3.35Å; G340-T344 PolarHBondContact O-N 3.29Å; G340-T344 PolarHBondContact O-OG1 3.21Å |
| 341 | S | 75.1 | Confident | 81.8 | Confident | 59 Ų | 59 | 48.4 Ų | 48.4 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 173.3 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | K338 T344 L345 | K338-S341 CarbonylContact O-C 3.55Å; K338-S341 WeakPolarHBondContact O-CA 3.38Å; K338-S341 WeakPolarHBondContact O-CB 3.41Å; K338-S341 PolarHBondContact O-N 2.77Å; S341-T344 PolarHBondContact O-N 3.21Å; S341-L345 VanDerWaalsContact O-CB 3.28Å; S341-L345 WeakPolarHBondContact O-CB 3.39Å; S341-L345 PolarHBondContact O-N 2.99Å |
| 342 | A | 77.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F331 Q332 M335 K338 I339 G340 T344 L345 Y346 | F331-A342 HydrophobicContact CB-CB 4.17Å; Q332-A342 HydrophobicContact CG-CB 4.02Å; M335-A342 HydrophobicContact CB-CB 3.88Å; M335-A342 HydrophobicContact SD-CB 4.19Å; K338-A342 PolarHBondContact O-N 3.06Å; I339-A342 WeakPolarHBondContact O-CB 3.38Å; I339-A342 PolarHBondContact O-N 3.46Å; G340-A342 VanDerWaalsContact C-N 3.34Å; A342-T344 VanDerWaalsContact C-N 3.33Å; A342-T344 PolarHBondContact O-N 3.05Å; A342-L345 PolarHBondContact O-N 3.2Å; A342-Y346 WeakPolarHBondContact O-CB 3.35Å; A342-Y346 PolarHBondContact O-N 3.25Å |
| 343 | T | 76.7 | Confident | 82.3 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 174.6 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | M328 Q332 I339 Y346 A347 | M328-T343 HydrophobicContact CE-CG2 3.58Å; M328-T343 WeakPolarHBondContact CE-OG1 3.27Å; M328-T343 HydrophobicContact SD-CG2 4.29Å; Q332-T343 PolarHBondContact NE2-OG1 3.19Å; I339-T343 PolarHBondContact O-N 3.34Å; I339-T343 PolarHBondContact O-OG1 3.14Å; I339-T343 VanDerWaalsContact O-OG1 3.09Å; T343-Y346 PolarHBondContact O-N 3.42Å; T343-A347 WeakPolarHBondContact O-CB 3.44Å; T343-A347 PolarHBondContact O-N 3.38Å |
| 344 | T | 77.9 | Confident | 82.5 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 45% | 0.454 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.1 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | G340 S341 A342 A347 N348 | G340-T344 WeakPolarHBondContact O-CB 3.35Å; G340-T344 PolarHBondContact O-N 3.29Å; G340-T344 PolarHBondContact O-OG1 3.21Å; S341-T344 PolarHBondContact O-N 3.21Å; A342-T344 VanDerWaalsContact C-N 3.33Å; A342-T344 PolarHBondContact O-N 3.05Å; T344-A347 PolarHBondContact O-N 2.95Å; T344-N348 VanDerWaalsContact O-CG 3.27Å; T344-N348 PolarHBondContact O-N 2.92Å; T344-N348 PolarHBondContact O-ND2 2.91Å |
| 345 | L | 84.4 | Confident | 82.8 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 178.6 | -173.1 | 62.5 | 0 | 0 | 0 | 110.8 | T219 F223 F331 M335 S341 A342 N348 T349 | T219-L345 HydrophobicContact CG2-CD2 3.52Å; F223-L345 HydrophobicContact CD2-CD1 3.51Å; F223-L345 HydrophobicContact CD2-CG 3.8Å; F223-L345 HydrophobicContact CE2-CD1 3.59Å; F223-L345 HydrophobicContact CE2-CG 4.23Å; F331-L345 HydrophobicContact CD1-CD2 3.92Å; F331-L345 HydrophobicContact CD1-CG 4.26Å; F331-L345 HydrophobicContact CE1-CD2 3.69Å; F331-L345 HydrophobicContact CE1-CG 3.9Å; M335-L345 HydrophobicContact SD-CD2 3.82Å; S341-L345 VanDerWaalsContact O-CB 3.28Å; S341-L345 WeakPolarHBondContact O-CB 3.39Å; S341-L345 PolarHBondContact O-N 2.99Å; A342-L345 PolarHBondContact O-N 3.2Å; L345-N348 WeakPolarHBondContact O-CB 3.1Å; L345-N348 PolarHBondContact O-N 3.26Å; L345-T349 PolarHBondContact O-N 2.96Å |
| 346 | Y | 88.3 | Confident | 83.4 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 7% | 0.071 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.9 | -49 | 171.3 | 174.7 | -101.4 | 0 | 0 | 0 | 111.8 | W230 L323 C324 M328 F331 A342 T343 N348 T349 | W230-Y346 WeakPolarHBondContact CZ2-OH 3.46Å; W230-Y346 AromaticContact NE1-CZ 3.88Å; L323-Y346 WeakPolarHBondContact O-CE2 3.03Å; L323-Y346 PolarHBondContact O-OH 3.43Å; C324-Y346 VanDerWaalsContact CA-OH 3.22Å; C324-Y346 WeakPolarHBondContact CA-OH 3.37Å; M328-Y346 HydrophobicContact CB-CD1 3.87Å; M328-Y346 HydrophobicContact CB-CD2 4.42Å; M328-Y346 HydrophobicContact CB-CE1 4.01Å; M328-Y346 HydrophobicContact CB-CG 4.1Å; M328-Y346 HydrophobicContact CG-CD1 4.25Å; F331-Y346 AromaticContact CD2-CD2 3.72Å; F331-Y346 HydrophobicContact CD2-CD2 3.72Å; F331-Y346 HydrophobicContact CD2-CG 4.18Å; F331-Y346 AromaticContact CE2-CD2 3.86Å; F331-Y346 HydrophobicContact CE2-CD2 3.86Å; A342-Y346 WeakPolarHBondContact O-CB 3.35Å; A342-Y346 PolarHBondContact O-N 3.25Å; T343-Y346 PolarHBondContact O-N 3.42Å; Y346-N348 PolarHBondContact O-N 3.12Å; Y346-T349 WeakPolarHBondContact O-CB 3.34Å; Y346-T349 PolarHBondContact O-N 3.05Å; Y346-T349 PolarHBondContact O-OG1 3.38Å |
| 347 | A | 86 | Confident | 84.2 | Confident | 40 Ų | 40 | 46.3 Ų | 46.3 | 33% | 0.331 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.4 | -30 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T343 T344 T349 S350 | T343-A347 WeakPolarHBondContact O-CB 3.44Å; T343-A347 PolarHBondContact O-N 3.38Å; T344-A347 PolarHBondContact O-N 2.95Å; A347-T349 VanDerWaalsContact C-N 3.31Å; A347-S350 PolarHBondContact O-OG 3.15Å |
| 348 | N | 88 | Confident | 85.2 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 21% | 0.214 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.3 | -27 | 173.3 | -72.9 | -24 | 0 | 0 | 0 | 112.5 | F223 T344 L345 Y346 S350 R351 V352 | F223-N348 HydrophobicContact CE2-CB 4.26Å; T344-N348 VanDerWaalsContact O-CG 3.27Å; T344-N348 PolarHBondContact O-N 2.92Å; T344-N348 PolarHBondContact O-ND2 2.91Å; L345-N348 WeakPolarHBondContact O-CB 3.1Å; L345-N348 PolarHBondContact O-N 3.26Å; Y346-N348 PolarHBondContact O-N 3.12Å; N348-S350 VanDerWaalsContact C-N 3.3Å; N348-S350 PolarHBondContact O-N 3.49Å; N348-R351 PolarHBondContact O-N 3.29Å; N348-V352 WeakPolarHBondContact O-CG2 3.33Å; N348-V352 PolarHBondContact O-N 2.91Å |
| 349 | T | 93.6 | Very high | 86 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -37.8 | 175.9 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | F223 C226 S227 F331 L345 Y346 A347 V352 G353 | F223-T349 HydrophobicContact CD2-CG2 3.38Å; F223-T349 HydrophobicContact CE2-CG2 3.55Å; F223-T349 HydrophobicContact CG-CG2 4.02Å; F223-T349 HydrophobicContact CZ-CG2 4.32Å; C226-T349 HydrophobicContact CB-CG2 3.85Å; S227-T349 WeakPolarHBondContact OG-CB 3.39Å; F331-T349 HydrophobicContact CE2-CG2 4.23Å; F331-T349 HydrophobicContact CZ-CG2 3.99Å; L345-T349 PolarHBondContact O-N 2.96Å; Y346-T349 WeakPolarHBondContact O-CB 3.34Å; Y346-T349 PolarHBondContact O-N 3.05Å; Y346-T349 PolarHBondContact O-OG1 3.38Å; A347-T349 VanDerWaalsContact C-N 3.31Å; T349-V352 PolarHBondContact O-N 3.23Å; T349-G353 PolarHBondContact O-N 3.44Å |
| 350 | S | 91.6 | Very high | 86.9 | Confident | 30 Ų | 30 | 34.9 Ų | 34.9 | 21% | 0.21 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 176.5 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | W230 N234 A347 N348 G353 W354 | W230-S350 VanDerWaalsContact CG-CA 3.48Å; N234-S350 PolarHBondContact ND2-O 3.08Å; A347-S350 PolarHBondContact O-OG 3.15Å; N348-S350 VanDerWaalsContact C-N 3.3Å; N348-S350 PolarHBondContact O-N 3.49Å; S350-G353 WeakPolarHBondContact O-CA 3.38Å; S350-G353 PolarHBondContact O-N 3.46Å; S350-W354 PolarHBondContact O-N 3.3Å |
| 351 | R | 88.6 | Confident | 87.9 | Confident | 69 Ų | 69 | 32.5 Ų | 32.5 | 26% | 0.26 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.6 | -41.7 | 175.4 | -60.1 | 179.9 | -179.5 | -179.2 | -11.1 | 112.4 | I64 S67 N348 G353 W354 I355 | I64-R351 HydrophobicContact CD1-CB 3.99Å; I64-R351 HydrophobicContact CG1-CB 4.05Å; I64-R351 HydrophobicContact CG1-CG 4.41Å; S67-R351 PolarHBondContact OG-NH1 3.39Å; S67-R351 PolarHBondContact OG-NH2 3.4Å; N348-R351 PolarHBondContact O-N 3.29Å; R351-G353 VanDerWaalsContact C-N 3.28Å; R351-W354 WeakPolarHBondContact O-CB 3.45Å; R351-W354 PolarHBondContact O-N 3.35Å; R351-I355 WeakPolarHBondContact O-CG1 3.41Å; R351-I355 PolarHBondContact O-N 2.86Å; R351-I355 VanDerWaalsContact O-N 3.14Å |
| 352 | V | 92.1 | Very high | 88 | Confident | 42 Ų | 42 | 29.8 Ų | 29.8 | 26% | 0.255 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.8 | -41 | 172 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | F223 N348 T349 W354 I355 I356 | F223-V352 HydrophobicContact CE1-CG2 4.35Å; F223-V352 HydrophobicContact CZ-CG2 3.92Å; N348-V352 WeakPolarHBondContact O-CG2 3.33Å; N348-V352 PolarHBondContact O-N 2.91Å; T349-V352 PolarHBondContact O-N 3.23Å; V352-W354 VanDerWaalsContact C-N 3.3Å; V352-W354 PolarHBondContact O-N 3.27Å; V352-I355 PolarHBondContact O-N 2.83Å; V352-I355 VanDerWaalsContact O-N 3.14Å; V352-I356 HydrophobicContact CG1-CD1 3.78Å; V352-I356 HydrophobicContact CG1-CG1 4.31Å; V352-I356 WeakPolarHBondContact O-CG1 3.33Å; V352-I356 PolarHBondContact O-N 2.99Å |
| 353 | G | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.6 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A231 T349 S350 R351 I355 I356 A357 | A231-G353 WeakPolarHBondContact CA-O 3.32Å; T349-G353 PolarHBondContact O-N 3.44Å; S350-G353 WeakPolarHBondContact O-CA 3.38Å; S350-G353 PolarHBondContact O-N 3.46Å; R351-G353 VanDerWaalsContact C-N 3.28Å; G353-I355 PolarHBondContact O-N 2.82Å; G353-I356 PolarHBondContact O-N 3.29Å; G353-A357 WeakPolarHBondContact O-CB 3.24Å; G353-A357 PolarHBondContact O-N 3.36Å |
| 354 | W | 92.2 | Very high | 88.8 | Confident | 46 Ų | 46 | 32.6 Ų | 32.6 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 175.2 | -83.1 | 111.2 | 0 | 0 | 0 | 114 | T34 F56 A60 N234 M237 I238 S350 R351 V352 G358 | T34-W354 HydrophobicContact CG2-CH2 4.2Å; T34-W354 HydrophobicContact CG2-CZ2 4.23Å; F56-W354 HydrophobicContact CB-CE3 4.25Å; F56-W354 HydrophobicContact CB-CZ3 4.27Å; F56-W354 AromaticContact CD1-CE3 3.83Å; F56-W354 HydrophobicContact CD1-CE3 3.83Å; F56-W354 AromaticContact CD1-CH2 3.74Å; F56-W354 HydrophobicContact CD1-CH2 3.74Å; F56-W354 AromaticContact CD1-CZ3 3.17Å; F56-W354 HydrophobicContact CD1-CZ3 3.17Å; F56-W354 AromaticContact CE1-CH2 3.7Å; F56-W354 HydrophobicContact CE1-CH2 3.7Å; F56-W354 AromaticContact CE1-CZ3 3.57Å; F56-W354 HydrophobicContact CE1-CZ3 3.57Å; F56-W354 HydrophobicContact CG-CE3 4.35Å; F56-W354 AromaticContact CG-CZ3 3.88Å; F56-W354 HydrophobicContact CG-CZ3 3.88Å; A60-W354 HydrophobicContact CB-CB 3.67Å; N234-W354 HydrophobicContact CB-CD2 3.88Å; N234-W354 HydrophobicContact CB-CE3 3.85Å; N234-W354 HydrophobicContact CB-CG 4.38Å; N234-W354 HydrophobicContact CB-CZ3 4.24Å; N234-W354 VanDerWaalsContact ND2-CG 3.26Å; N234-W354 PolarHBondContact ND2-N 3.48Å; N234-W354 VanDerWaalsContact ND2-N 3.12Å; N234-W354 PolarHBondContact ND2-NE1 2.82Å; N234-W354 PolarHBondContact OD1-NE1 3.44Å; M237-W354 HydrophobicContact CE-CH2 3.15Å; M237-W354 HydrophobicContact CE-CZ2 2.96Å; M237-W354 HydrophobicContact CE-CZ3 4.32Å; I238-W354 HydrophobicContact CD1-CE3 4.08Å; I238-W354 HydrophobicContact CD1-CZ3 3.79Å; I238-W354 HydrophobicContact CG1-CE3 4.37Å; I238-W354 HydrophobicContact CG1-CH2 4.47Å; I238-W354 HydrophobicContact CG1-CZ3 3.59Å; S350-W354 PolarHBondContact O-N 3.3Å; R351-W354 WeakPolarHBondContact O-CB 3.45Å; R351-W354 PolarHBondContact O-N 3.35Å; V352-W354 VanDerWaalsContact C-N 3.3Å; V352-W354 PolarHBondContact O-N 3.27Å; W354-G358 PolarHBondContact O-N 3.03Å |
| 355 | I | 93.4 | Very high | 88.9 | Confident | 45 Ų | 45 | 30 Ų | 30 | 23% | 0.231 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 177.2 | -67.6 | 169.8 | 0 | 0 | 0 | 110.4 | T57 A60 I61 I64 R351 V352 G353 S359 | T57-I355 HydrophobicContact CG2-CG2 4.37Å; T57-I355 PolarHBondContact OG1-O 3.42Å; A60-I355 HydrophobicContact CB-CG1 3.66Å; I61-I355 HydrophobicContact CG1-CD1 4.01Å; I61-I355 HydrophobicContact CG1-CG1 4.13Å; I64-I355 HydrophobicContact CD1-CD1 3.74Å; R351-I355 WeakPolarHBondContact O-CG1 3.41Å; R351-I355 PolarHBondContact O-N 2.86Å; R351-I355 VanDerWaalsContact O-N 3.14Å; V352-I355 PolarHBondContact O-N 2.83Å; V352-I355 VanDerWaalsContact O-N 3.14Å; G353-I355 PolarHBondContact O-N 2.82Å; I355-S359 WeakPolarHBondContact O-CB 3.31Å; I355-S359 PolarHBondContact O-N 3.49Å; I355-S359 PolarHBondContact O-OG 3.46Å |
| 356 | I | 94.6 | Very high | 88.7 | Confident | 40 Ų | 40 | 31.3 Ų | 31.3 | 21% | 0.205 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -49.9 | 178.2 | -65.3 | 169.6 | 0 | 0 | 0 | 109.5 | M228 A231 V352 G353 S359 V360 M380 | M228-I356 HydrophobicContact CE-CD1 3.74Å; A231-I356 HydrophobicContact CB-CB 3.95Å; A231-I356 HydrophobicContact CB-CD1 4.49Å; A231-I356 HydrophobicContact CB-CG2 3.82Å; V352-I356 HydrophobicContact CG1-CD1 3.78Å; V352-I356 HydrophobicContact CG1-CG1 4.31Å; V352-I356 WeakPolarHBondContact O-CG1 3.33Å; V352-I356 PolarHBondContact O-N 2.99Å; G353-I356 PolarHBondContact O-N 3.29Å; I356-S359 PolarHBondContact O-N 3.33Å; I356-V360 HydrophobicContact CG2-CG2 4.29Å; I356-V360 WeakPolarHBondContact O-CB 3.41Å; I356-V360 VanDerWaalsContact O-CG2 3.31Å; I356-V360 WeakPolarHBondContact O-CG2 3.37Å; I356-V360 PolarHBondContact O-N 3.5Å; I356-M380 HydrophobicContact CG2-CE 3.66Å |
| 357 | A | 93.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.6 | -59.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | N234 L235 I238 G353 S359 V360 D361 | N234-A357 HydrophobicContact CB-CB 3.67Å; L235-A357 HydrophobicContact CB-CB 4.23Å; L235-A357 HydrophobicContact CD1-CB 4.46Å; I238-A357 HydrophobicContact CD1-CB 4.1Å; G353-A357 WeakPolarHBondContact O-CB 3.24Å; G353-A357 PolarHBondContact O-N 3.36Å; A357-S359 VanDerWaalsContact C-N 3.29Å; A357-S359 PolarHBondContact O-N 3.24Å; A357-V360 PolarHBondContact O-N 3.41Å; A357-D361 WeakPolarHBondContact O-CA 3.3Å; A357-D361 WeakPolarHBondContact O-CB 3.42Å; A357-D361 PolarHBondContact O-N 2.9Å |
| 358 | G | 90.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -33.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | G53 T57 W354 | G53-G358 CarbonylContact C-O 3.36Å; G53-G358 WeakPolarHBondContact CA-O 3.43Å; G53-G358 CarbonylContact O-C 3.52Å; G53-G358 WeakPolarHBondContact O-CA 3.31Å; T57-G358 VanDerWaalsContact OG1-CA 3.29Å; T57-G358 WeakPolarHBondContact OG1-CA 3.22Å; W354-G358 PolarHBondContact O-N 3.03Å |
| 359 | S | 90.6 | Very high | 88.2 | Confident | 44 Ų | 44 | 42.3 Ų | 42.3 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -75.6 | -38.4 | -178.9 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | T57 I355 I356 A357 I363 | T57-S359 WeakPolarHBondContact CG2-OG 3.36Å; T57-S359 PolarHBondContact OG1-N 3.46Å; T57-S359 PolarHBondContact OG1-OG 3.11Å; I355-S359 WeakPolarHBondContact O-CB 3.31Å; I355-S359 PolarHBondContact O-N 3.49Å; I355-S359 PolarHBondContact O-OG 3.46Å; I356-S359 PolarHBondContact O-N 3.33Å; A357-S359 VanDerWaalsContact C-N 3.29Å; A357-S359 PolarHBondContact O-N 3.24Å; S359-I363 WeakPolarHBondContact O-CD1 3.48Å |
| 360 | V | 90.3 | Very high | 87.6 | Confident | 42 Ų | 42 | 43.5 Ų | 43.5 | 26% | 0.255 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -84.2 | -38.1 | -179 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | I356 A357 G362 I363 M364 L376 | I356-V360 HydrophobicContact CG2-CG2 4.29Å; I356-V360 WeakPolarHBondContact O-CB 3.41Å; I356-V360 VanDerWaalsContact O-CG2 3.31Å; I356-V360 WeakPolarHBondContact O-CG2 3.37Å; I356-V360 PolarHBondContact O-N 3.5Å; A357-V360 PolarHBondContact O-N 3.41Å; V360-G362 PolarHBondContact O-N 3.45Å; V360-I363 PolarHBondContact O-N 3.32Å; V360-M364 HydrophobicContact CG1-CG 3.62Å; V360-M364 HydrophobicContact CG1-SD 4.43Å; V360-M364 VanDerWaalsContact O-CG 3.23Å; V360-M364 WeakPolarHBondContact O-CG 3.48Å; V360-M364 PolarHBondContact O-N 3.18Å; V360-L376 HydrophobicContact CB-CD2 4.19Å; V360-L376 HydrophobicContact CG1-CD2 3.22Å; V360-L376 HydrophobicContact CG1-CG 4.48Å |
| 361 | D | 85.2 | Confident | 87.3 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -44.3 | -60.5 | 175.9 | 173.7 | 45.4 | 0 | 0 | 0 | 112.3 | L235 I238 N239 A357 I363 M364 V365 | L235-D361 HydrophobicContact CD1-CB 3.76Å; I238-D361 WeakPolarHBondContact CG2-OD2 3.47Å; N239-D361 VanDerWaalsContact CG-OD1 3.22Å; N239-D361 VanDerWaalsContact ND2-CG 3.35Å; N239-D361 PolarHBondContact ND2-OD1 3.35Å; N239-D361 PolarHBondContact OD1-OD1 3.02Å; N239-D361 VanDerWaalsContact OD1-OD1 3.05Å; A357-D361 WeakPolarHBondContact O-CA 3.3Å; A357-D361 WeakPolarHBondContact O-CB 3.42Å; A357-D361 PolarHBondContact O-N 2.9Å; D361-I363 PolarHBondContact O-N 2.89Å; D361-I363 VanDerWaalsContact O-N 3.12Å; D361-M364 PolarHBondContact O-N 3.01Å; D361-V365 PolarHBondContact O-N 3.18Å |
| 362 | G | 77.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -34.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I50 V360 E366 | I50-G362 VanDerWaalsContact CA-CA 3.47Å; V360-G362 PolarHBondContact O-N 3.45Å; G362-E366 WeakPolarHBondContact O-CB 3.43Å |
| 363 | I | 85.3 | Confident | 87.1 | Confident | 81 Ų | 81 | 40.8 Ų | 40.8 | 42% | 0.415 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -76.6 | -41.7 | 179.2 | -60.2 | 174.4 | 0 | 0 | 0 | 110.3 | S359 V360 D361 I367 | S359-I363 WeakPolarHBondContact O-CD1 3.48Å; V360-I363 PolarHBondContact O-N 3.32Å; D361-I363 PolarHBondContact O-N 2.89Å; D361-I363 VanDerWaalsContact O-N 3.12Å; I363-I367 HydrophobicContact CG2-CD1 3.62Å; I363-I367 WeakPolarHBondContact O-CB 3.42Å; I363-I367 VanDerWaalsContact O-CG1 3.23Å; I363-I367 WeakPolarHBondContact O-CG1 3.23Å; I363-I367 PolarHBondContact O-N 2.91Å |
| 364 | M | 85.3 | Confident | 87 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.8 | -43.5 | -174.9 | -67.7 | -66.3 | 93.5 | 0 | 0 | 112.9 | V360 D361 E366 W368 S369 L373 L376 | V360-M364 HydrophobicContact CG1-CG 3.62Å; V360-M364 HydrophobicContact CG1-SD 4.43Å; V360-M364 VanDerWaalsContact O-CG 3.23Å; V360-M364 WeakPolarHBondContact O-CG 3.48Å; V360-M364 PolarHBondContact O-N 3.18Å; D361-M364 PolarHBondContact O-N 3.01Å; M364-E366 VanDerWaalsContact C-N 3.34Å; M364-W368 HydrophobicContact CE-CD2 4.43Å; M364-W368 HydrophobicContact CE-CE3 3.9Å; M364-W368 HydrophobicContact CE-CH2 4.04Å; M364-W368 HydrophobicContact CE-CZ3 3.72Å; M364-W368 WeakPolarHBondContact O-CA 3.3Å; M364-W368 WeakPolarHBondContact O-CB 3.4Å; M364-W368 PolarHBondContact O-N 2.88Å; M364-W368 HydrophobicContact SD-CD2 4.25Å; M364-W368 HydrophobicContact SD-CE3 3.25Å; M364-W368 HydrophobicContact SD-CH2 4.01Å; M364-W368 HydrophobicContact SD-CZ3 3.12Å; M364-W368 WeakPolarHBondContact SD-CZ3 3.35Å; M364-S369 PolarHBondContact O-N 3.22Å; M364-L373 HydrophobicContact CB-CD2 3.54Å; M364-L373 HydrophobicContact CG-CD2 4.29Å; M364-L376 HydrophobicContact CG-CD2 3.92Å |
| 365 | V | 80.3 | Confident | 87 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 11% | 0.109 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 179.4 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | P49 D361 Y370 L373 | P49-V365 HydrophobicContact CB-CB 3.69Å; P49-V365 HydrophobicContact CB-CG1 3.52Å; P49-V365 HydrophobicContact CG-CB 4.3Å; P49-V365 HydrophobicContact CG-CG1 3.59Å; D361-V365 PolarHBondContact O-N 3.18Å; V365-Y370 HydrophobicContact CB-CE1 4.46Å; V365-Y370 HydrophobicContact CG1-CD1 3.87Å; V365-Y370 HydrophobicContact CG1-CE1 3.51Å; V365-Y370 HydrophobicContact CG1-CE2 4.39Å; V365-Y370 HydrophobicContact CG1-CG 4.45Å; V365-Y370 HydrophobicContact CG2-CD1 3.92Å; V365-Y370 HydrophobicContact CG2-CE1 4.02Å; V365-L373 HydrophobicContact CG2-CD1 3.48Å; V365-L373 VanDerWaalsContact CG2-CD1 3.48Å; V365-L373 HydrophobicContact CG2-CD2 3.98Å; V365-L373 HydrophobicContact CG2-CG 3.93Å |
| 366 | E | 79.8 | Confident | 87 | Confident | 75 Ų | 75 | 46.6 Ų | 46.6 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.5 | -34.4 | -178.9 | -174.5 | 168.2 | -177.8 | 0 | 0 | 112.9 | R48 I50 G362 M364 | R48-E366 IonicContact CZ-OE1 3.96Å; R48-E366 IonicContact NH1-OE1 2.72Å; R48-E366 PolarHBondContact NH1-OE1 2.84Å; R48-E366 IonicContact NH1-OE2 3.71Å; R48-E366 IonicContact NH2-OE1 3.88Å; R48-E366 PolarHBondContact NH2-OE1 3.44Å; I50-E366 WeakPolarHBondContact CB-OE2 3.13Å; I50-E366 WeakPolarHBondContact CD1-OE2 3.17Å; I50-E366 WeakPolarHBondContact CG2-OE2 3.46Å; G362-E366 WeakPolarHBondContact O-CB 3.43Å; M364-E366 VanDerWaalsContact C-N 3.34Å |
| 367 | I | 83.6 | Confident | 87.1 | Confident | 113 Ų | 113 | 44.8 Ų | 44.8 | 58% | 0.579 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -94.6 | -37.3 | -174.8 | -59.1 | 175.5 | 0 | 0 | 0 | 112.5 | I363 | I363-I367 HydrophobicContact CG2-CD1 3.62Å; I363-I367 WeakPolarHBondContact O-CB 3.42Å; I363-I367 VanDerWaalsContact O-CG1 3.23Å; I363-I367 WeakPolarHBondContact O-CG1 3.23Å; I363-I367 PolarHBondContact O-N 2.91Å |
| 368 | W | 82.9 | Confident | 87.2 | Confident | 171 Ų | 171 | 46.4 Ų | 46.4 | 65% | 0.648 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | -86.9 | -172.3 | -65.1 | -24.7 | 0 | 0 | 0 | 112 | M364 A372 | M364-W368 HydrophobicContact CE-CD2 4.43Å; M364-W368 HydrophobicContact CE-CE3 3.9Å; M364-W368 HydrophobicContact CE-CH2 4.04Å; M364-W368 HydrophobicContact CE-CZ3 3.72Å; M364-W368 WeakPolarHBondContact O-CA 3.3Å; M364-W368 WeakPolarHBondContact O-CB 3.4Å; M364-W368 PolarHBondContact O-N 2.88Å; M364-W368 HydrophobicContact SD-CD2 4.25Å; M364-W368 HydrophobicContact SD-CE3 3.25Å; M364-W368 HydrophobicContact SD-CH2 4.01Å; M364-W368 HydrophobicContact SD-CZ3 3.12Å; M364-W368 WeakPolarHBondContact SD-CZ3 3.35Å; W368-A372 HydrophobicContact CB-CB 3.7Å; W368-A372 HydrophobicContact CD2-CB 4.43Å; W368-A372 HydrophobicContact CE3-CB 3.85Å; W368-A372 HydrophobicContact CG-CB 4.44Å |
| 369 | S | 84.7 | Confident | 87.4 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | trans | -179.2 | 168.7 | -179.6 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | M364 H371 A372 | M364-S369 PolarHBondContact O-N 3.22Å; S369-H371 PolarHBondContact O-N 3.41Å; S369-H371 PolarHBondContact OG-N 3.37Å; S369-A372 WeakPolarHBondContact O-CB 3.24Å; S369-A372 PolarHBondContact O-N 3.15Å; S369-A372 PolarHBondContact OG-N 3.17Å | ||
| 370 | Y | 81.6 | Confident | 87.7 | Confident | 25 Ų | 25 | 46.5 Ų | 46.5 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.9 | -35.8 | 169 | -65.7 | -67.5 | 0 | 0 | 0 | 112.4 | L242 D246 V365 A372 L373 F374 | L242-Y370 HydrophobicContact CB-CE1 4.06Å; D246-Y370 HydrophobicContact CB-CE2 3.95Å; D246-Y370 PolarHBondContact OD2-OH 2.86Å; V365-Y370 HydrophobicContact CB-CE1 4.46Å; V365-Y370 HydrophobicContact CG1-CD1 3.87Å; V365-Y370 HydrophobicContact CG1-CE1 3.51Å; V365-Y370 HydrophobicContact CG1-CE2 4.39Å; V365-Y370 HydrophobicContact CG1-CG 4.45Å; V365-Y370 HydrophobicContact CG2-CD1 3.92Å; V365-Y370 HydrophobicContact CG2-CE1 4.02Å; Y370-A372 VanDerWaalsContact C-N 3.27Å; Y370-A372 PolarHBondContact O-N 3.41Å; Y370-L373 HydrophobicContact CD1-CD1 4.1Å; Y370-L373 VanDerWaalsContact O-CB 3.24Å; Y370-L373 WeakPolarHBondContact O-CB 3.46Å; Y370-L373 PolarHBondContact O-N 3.34Å; Y370-F374 WeakPolarHBondContact O-CD2 3.44Å |
| 371 | H | 84.7 | Confident | 88.1 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 29% | 0.292 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.8 | -37.3 | 176.7 | -68.9 | 85.1 | 0 | 0 | 0 | 112.7 | E247 L301 S369 L373 F374 W375 | E247-H371 VanDerWaalsContact CD-CE1 3.49Å; E247-H371 IonicContact OE1-CE1 3.07Å; E247-H371 PolarHBondContact OE1-CE1 3.14Å; E247-H371 VanDerWaalsContact OE1-CE1 3.3Å; E247-H371 IonicContact OE1-ND1 2.71Å; L301-H371 HydrophobicContact CD2-CB 3.97Å; S369-H371 PolarHBondContact O-N 3.41Å; S369-H371 PolarHBondContact OG-N 3.37Å; H371-L373 PolarHBondContact O-N 2.83Å; H371-F374 PolarHBondContact O-N 2.96Å; H371-W375 VanDerWaalsContact O-CD1 3.3Å |
| 372 | A | 88.7 | Confident | 88.7 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -25.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | W368 S369 Y370 W375 L376 | W368-A372 HydrophobicContact CB-CB 3.7Å; W368-A372 HydrophobicContact CD2-CB 4.43Å; W368-A372 HydrophobicContact CE3-CB 3.85Å; W368-A372 HydrophobicContact CG-CB 4.44Å; S369-A372 WeakPolarHBondContact O-CB 3.24Å; S369-A372 PolarHBondContact O-N 3.15Å; S369-A372 PolarHBondContact OG-N 3.17Å; Y370-A372 VanDerWaalsContact C-N 3.27Å; Y370-A372 PolarHBondContact O-N 3.41Å; A372-W375 PolarHBondContact O-N 3.01Å; A372-L376 WeakPolarHBondContact O-CB 3.07Å; A372-L376 PolarHBondContact O-N 3.17Å |
| 373 | L | 89.2 | Confident | 89.6 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 176.3 | -63.2 | 174 | 0 | 0 | 0 | 112.5 | L235 N239 M364 V365 Y370 H371 W375 L376 A377 | L235-L373 HydrophobicContact CD1-CD2 3.95Å; L235-L373 HydrophobicContact CD2-CB 4.09Å; L235-L373 HydrophobicContact CD2-CD2 4.19Å; L235-L373 WeakPolarHBondContact CD2-O 3.31Å; L235-L373 HydrophobicContact CG-CB 4.44Å; L235-L373 HydrophobicContact CG-CD2 4.21Å; N239-L373 HydrophobicContact CB-CD1 3.73Å; N239-L373 WeakPolarHBondContact ND2-CD1 3.47Å; N239-L373 WeakPolarHBondContact OD1-CD1 3.38Å; M364-L373 HydrophobicContact CB-CD2 3.54Å; M364-L373 HydrophobicContact CG-CD2 4.29Å; V365-L373 HydrophobicContact CG2-CD1 3.48Å; V365-L373 VanDerWaalsContact CG2-CD1 3.48Å; V365-L373 HydrophobicContact CG2-CD2 3.98Å; V365-L373 HydrophobicContact CG2-CG 3.93Å; Y370-L373 HydrophobicContact CD1-CD1 4.1Å; Y370-L373 VanDerWaalsContact O-CB 3.24Å; Y370-L373 WeakPolarHBondContact O-CB 3.46Å; Y370-L373 PolarHBondContact O-N 3.34Å; H371-L373 PolarHBondContact O-N 2.83Å; L373-W375 VanDerWaalsContact C-N 3.35Å; L373-L376 WeakPolarHBondContact O-CB 3.15Å; L373-L376 PolarHBondContact O-N 3.28Å; L373-A377 WeakPolarHBondContact O-CB 3.19Å; L373-A377 PolarHBondContact O-N 2.97Å |
| 374 | F | 91.4 | Very high | 90.2 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69 | -37.7 | 179.3 | -59.8 | -75 | 0 | 0 | 0 | 111 | Y236 F243 Y297 V300 L301 Y370 H371 L376 A377 I378 | Y236-F374 AromaticContact CD2-CE1 3.85Å; Y236-F374 HydrophobicContact CD2-CE1 3.85Å; Y236-F374 HydrophobicContact CE2-CE1 4.27Å; F243-F374 HydrophobicContact CD1-CE2 4.17Å; F243-F374 AromaticContact CD1-CZ 3.81Å; F243-F374 HydrophobicContact CD1-CZ 3.81Å; F243-F374 AromaticContact CD2-CE2 3.83Å; F243-F374 HydrophobicContact CD2-CE2 3.83Å; F243-F374 HydrophobicContact CD2-CZ 4.23Å; F243-F374 HydrophobicContact CE1-CE2 4.1Å; F243-F374 AromaticContact CE1-CZ 3.95Å; F243-F374 HydrophobicContact CE1-CZ 3.95Å; F243-F374 AromaticContact CE2-CE2 3.75Å; F243-F374 HydrophobicContact CE2-CE2 3.75Å; F243-F374 HydrophobicContact CE2-CZ 4.36Å; F243-F374 HydrophobicContact CG-CE2 4.03Å; F243-F374 AromaticContact CG-CZ 3.94Å; F243-F374 HydrophobicContact CG-CZ 3.94Å; F243-F374 AromaticContact CZ-CE2 3.89Å; F243-F374 HydrophobicContact CZ-CE2 3.89Å; F243-F374 HydrophobicContact CZ-CZ 4.23Å; Y297-F374 AromaticContact CD1-CD1 3.98Å; Y297-F374 HydrophobicContact CD1-CD1 3.98Å; V300-F374 HydrophobicContact CB-CD1 4.47Å; V300-F374 HydrophobicContact CB-CE1 4.24Å; V300-F374 HydrophobicContact CG1-CD1 4.12Å; V300-F374 HydrophobicContact CG1-CE1 3.49Å; V300-F374 VanDerWaalsContact CG1-CE1 3.49Å; V300-F374 HydrophobicContact CG1-CE2 4.2Å; V300-F374 HydrophobicContact CG1-CZ 3.55Å; L301-F374 HydrophobicContact CD1-CB 3.95Å; L301-F374 HydrophobicContact CD2-CB 3.82Å; L301-F374 HydrophobicContact CD2-CD2 3.7Å; L301-F374 HydrophobicContact CD2-CG 4.11Å; L301-F374 HydrophobicContact CG-CB 3.75Å; L301-F374 HydrophobicContact CG-CD2 4.27Å; L301-F374 HydrophobicContact CG-CG 4.23Å; Y370-F374 WeakPolarHBondContact O-CD2 3.44Å; H371-F374 PolarHBondContact O-N 2.96Å; F374-L376 VanDerWaalsContact C-N 3.33Å; F374-L376 PolarHBondContact O-N 2.77Å; F374-A377 WeakPolarHBondContact O-CB 3.46Å; F374-A377 PolarHBondContact O-N 3.39Å; F374-I378 VanDerWaalsContact O-CG1 3.3Å; F374-I378 WeakPolarHBondContact O-CG1 3.38Å; F374-I378 PolarHBondContact O-N 2.85Å |
| 375 | W | 93.4 | Very high | 90.7 | Very high | 161 Ų | 161 | 47.3 Ų | 47.3 | 61% | 0.61 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62 | -40.8 | 170.6 | -71.9 | 113.9 | 0 | 0 | 0 | 112.4 | L301 H371 A372 L373 I378 G379 | L301-W375 HydrophobicContact CD1-CD2 4.04Å; L301-W375 HydrophobicContact CD1-CG 4.38Å; L301-W375 HydrophobicContact CD1-CH2 4.48Å; L301-W375 HydrophobicContact CD1-CZ2 3.85Å; H371-W375 VanDerWaalsContact O-CD1 3.3Å; A372-W375 PolarHBondContact O-N 3.01Å; L373-W375 VanDerWaalsContact C-N 3.35Å; W375-I378 HydrophobicContact CE3-CD1 3.94Å; W375-I378 HydrophobicContact CZ3-CD1 4.13Å; W375-I378 PolarHBondContact O-N 3.29Å; W375-G379 PolarHBondContact O-N 3.46Å |
| 376 | L | 94 | Very high | 91.5 | Very high | 45 Ų | 45 | 51 Ų | 51 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 173.5 | 174.5 | 67.8 | 0 | 0 | 0 | 111.7 | L235 V360 M364 A372 L373 F374 I378 G379 M380 | L235-L376 HydrophobicContact CD2-CD2 3.96Å; L235-L376 HydrophobicContact CD2-CG 4.33Å; V360-L376 HydrophobicContact CB-CD2 4.19Å; V360-L376 HydrophobicContact CG1-CD2 3.22Å; V360-L376 HydrophobicContact CG1-CG 4.48Å; M364-L376 HydrophobicContact CG-CD2 3.92Å; A372-L376 WeakPolarHBondContact O-CB 3.07Å; A372-L376 PolarHBondContact O-N 3.17Å; L373-L376 WeakPolarHBondContact O-CB 3.15Å; L373-L376 PolarHBondContact O-N 3.28Å; F374-L376 VanDerWaalsContact C-N 3.33Å; F374-L376 PolarHBondContact O-N 2.77Å; L376-I378 VanDerWaalsContact C-N 3.32Å; L376-I378 PolarHBondContact O-N 3.43Å; L376-G379 CarbonylContact O-C 3.55Å; L376-G379 WeakPolarHBondContact O-CA 3.36Å; L376-G379 PolarHBondContact O-N 2.89Å; L376-G379 VanDerWaalsContact O-N 3.08Å; L376-M380 HydrophobicContact CD1-CE 4.08Å; L376-M380 HydrophobicContact CD2-CE 3.9Å; L376-M380 HydrophobicContact CG-CE 3.85Å; L376-M380 WeakPolarHBondContact O-CG 3.39Å; L376-M380 PolarHBondContact O-N 3.48Å |
| 377 | A | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A232 L235 Y297 L373 F374 G379 M380 L381 | A232-A377 HydrophobicContact CB-CB 3.98Å; L235-A377 HydrophobicContact CD2-CB 4.33Å; Y297-A377 HydrophobicContact CD1-CB 4.4Å; Y297-A377 HydrophobicContact CD2-CB 3.71Å; Y297-A377 HydrophobicContact CE2-CB 3.85Å; Y297-A377 HydrophobicContact CG-CB 4.02Å; L373-A377 WeakPolarHBondContact O-CB 3.19Å; L373-A377 PolarHBondContact O-N 2.97Å; F374-A377 WeakPolarHBondContact O-CB 3.46Å; F374-A377 PolarHBondContact O-N 3.39Å; A377-G379 VanDerWaalsContact C-N 3.32Å; A377-G379 PolarHBondContact O-N 2.94Å; A377-M380 PolarHBondContact O-N 3.11Å; A377-L381 WeakPolarHBondContact O-CG 3.4Å; A377-L381 PolarHBondContact O-N 3.27Å |
| 378 | I | 96.1 | Very high | 92.8 | Very high | 34 Ų | 34 | 43 Ų | 43 | 17% | 0.174 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 172.3 | -66.3 | 164.7 | 0 | 0 | 0 | 110.7 | M294 A298 F374 W375 L376 L381 G382 | M294-I378 HydrophobicContact CG-CG2 4.46Å; A298-I378 HydrophobicContact CB-CD1 4.12Å; F374-I378 VanDerWaalsContact O-CG1 3.3Å; F374-I378 WeakPolarHBondContact O-CG1 3.38Å; F374-I378 PolarHBondContact O-N 2.85Å; W375-I378 HydrophobicContact CE3-CD1 3.94Å; W375-I378 HydrophobicContact CZ3-CD1 4.13Å; W375-I378 PolarHBondContact O-N 3.29Å; L376-I378 VanDerWaalsContact C-N 3.32Å; L376-I378 PolarHBondContact O-N 3.43Å; I378-L381 CarbonylContact O-C 3.59Å; I378-L381 PolarHBondContact O-N 3.42Å; I378-G382 PolarHBondContact O-N 3.33Å |
| 379 | G | 96.3 | Very high | 93.3 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 38% | 0.381 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | W375 L376 A377 L381 G382 I383 | W375-G379 PolarHBondContact O-N 3.46Å; L376-G379 CarbonylContact O-C 3.55Å; L376-G379 WeakPolarHBondContact O-CA 3.36Å; L376-G379 PolarHBondContact O-N 2.89Å; L376-G379 VanDerWaalsContact O-N 3.08Å; A377-G379 VanDerWaalsContact C-N 3.32Å; A377-G379 PolarHBondContact O-N 2.94Å; G379-L381 VanDerWaalsContact C-N 3.34Å; G379-L381 PolarHBondContact O-N 3.13Å; G379-G382 WeakPolarHBondContact O-CA 3.46Å; G379-G382 PolarHBondContact O-N 3.07Å; G379-G382 VanDerWaalsContact O-N 3.09Å; G379-I383 WeakPolarHBondContact O-CG1 3.46Å; G379-I383 PolarHBondContact O-N 3.25Å |
| 380 | M | 96.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.054 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 174.6 | -70.5 | 178.9 | 177.8 | 0 | 0 | 111.3 | M228 A231 A232 I356 L376 A377 G382 I383 A384 | M228-M380 HydrophobicContact CB-CB 4.43Å; M228-M380 HydrophobicContact SD-CB 4.41Å; M228-M380 HydrophobicContact SD-CG 4.32Å; A231-M380 HydrophobicContact CB-CE 4.44Å; A231-M380 HydrophobicContact CB-SD 3.7Å; A232-M380 HydrophobicContact CB-CB 4.46Å; I356-M380 HydrophobicContact CG2-CE 3.66Å; L376-M380 HydrophobicContact CD1-CE 4.08Å; L376-M380 HydrophobicContact CD2-CE 3.9Å; L376-M380 HydrophobicContact CG-CE 3.85Å; L376-M380 WeakPolarHBondContact O-CG 3.39Å; L376-M380 PolarHBondContact O-N 3.48Å; A377-M380 PolarHBondContact O-N 3.11Å; M380-G382 VanDerWaalsContact C-N 3.29Å; M380-G382 PolarHBondContact O-N 3.24Å; M380-I383 PolarHBondContact O-N 3.35Å; M380-A384 PolarHBondContact O-N 2.55Å |
| 381 | L | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.8 | -32.9 | 173.5 | -70.8 | -174.9 | 0 | 0 | 0 | 112.1 | M229 A232 I290 M294 Y297 F319 A377 I378 G379 A384 M385 | M229-L381 HydrophobicContact CB-CD2 4.36Å; M229-L381 HydrophobicContact CG-CD2 3.88Å; A232-L381 HydrophobicContact CB-CD2 4.26Å; A232-L381 HydrophobicContact CB-CG 4.18Å; I290-L381 HydrophobicContact CG2-CB 4.16Å; I290-L381 WeakPolarHBondContact CG2-O 3.4Å; M294-L381 HydrophobicContact CB-CD1 4.5Å; M294-L381 HydrophobicContact CE-CB 3.72Å; M294-L381 WeakPolarHBondContact CE-O 3.11Å; M294-L381 HydrophobicContact CG-CB 3.81Å; M294-L381 HydrophobicContact CG-CD1 3.86Å; Y297-L381 HydrophobicContact CD2-CD1 3.81Å; Y297-L381 HydrophobicContact CE2-CD1 3.79Å; F319-L381 HydrophobicContact CE2-CD2 3.87Å; F319-L381 HydrophobicContact CZ-CD2 3.91Å; A377-L381 WeakPolarHBondContact O-CG 3.4Å; A377-L381 PolarHBondContact O-N 3.27Å; I378-L381 CarbonylContact O-C 3.59Å; I378-L381 PolarHBondContact O-N 3.42Å; G379-L381 VanDerWaalsContact C-N 3.34Å; G379-L381 PolarHBondContact O-N 3.13Å; L381-A384 WeakPolarHBondContact O-CB 3.48Å; L381-A384 PolarHBondContact O-N 3.11Å; L381-M385 WeakPolarHBondContact O-CB 3.42Å; L381-M385 PolarHBondContact O-N 2.86Å |
| 382 | G | 97.4 | Very high | 93.6 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -44.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M294 I378 G379 M380 A384 M385 I386 | M294-G382 VanDerWaalsContact CE-CA 3.45Å; I378-G382 PolarHBondContact O-N 3.33Å; G379-G382 WeakPolarHBondContact O-CA 3.46Å; G379-G382 PolarHBondContact O-N 3.07Å; G379-G382 VanDerWaalsContact O-N 3.09Å; M380-G382 VanDerWaalsContact C-N 3.29Å; M380-G382 PolarHBondContact O-N 3.24Å; G382-A384 VanDerWaalsContact C-N 3.34Å; G382-M385 WeakPolarHBondContact O-CB 3.29Å; G382-M385 PolarHBondContact O-N 3.29Å; G382-I386 WeakPolarHBondContact O-CG1 3.44Å; G382-I386 PolarHBondContact O-N 3.28Å |
| 383 | I | 97 | Very high | 92.6 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 44% | 0.441 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 173.1 | -64 | 168.5 | 0 | 0 | 0 | 110.2 | M228 G379 M380 M385 I386 C387 | M228-I383 HydrophobicContact CG-CG2 4.37Å; G379-I383 WeakPolarHBondContact O-CG1 3.46Å; G379-I383 PolarHBondContact O-N 3.25Å; M380-I383 PolarHBondContact O-N 3.35Å; I383-M385 VanDerWaalsContact C-N 3.3Å; I383-M385 PolarHBondContact O-N 2.91Å; I383-I386 PolarHBondContact O-N 3.35Å; I383-C387 WeakPolarHBondContact O-CB 2.83Å; I383-C387 PolarHBondContact O-N 3.32Å; I383-C387 PolarHBondContact O-SG 3.39Å; I383-C387 VanDerWaalsContact O-SG 3.4Å |
| 384 | A | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V225 M228 M229 I290 M380 L381 G382 C387 L388 | V225-A384 HydrophobicContact CG1-CB 4.23Å; V225-A384 WeakPolarHBondContact CG2-O 3.38Å; M228-A384 HydrophobicContact CB-CB 4.09Å; M229-A384 HydrophobicContact CG-CB 4.08Å; I290-A384 HydrophobicContact CD1-CB 4.05Å; M380-A384 PolarHBondContact O-N 2.55Å; L381-A384 WeakPolarHBondContact O-CB 3.48Å; L381-A384 PolarHBondContact O-N 3.11Å; G382-A384 VanDerWaalsContact C-N 3.34Å; A384-C387 PolarHBondContact O-N 3.4Å; A384-L388 VanDerWaalsContact O-CB 3.24Å; A384-L388 WeakPolarHBondContact O-CB 3.31Å; A384-L388 PolarHBondContact O-N 2.63Å |
| 385 | M | 97 | Very high | 91.3 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -49.9 | 177.7 | -165 | 171.1 | 66 | 0 | 0 | 111.2 | L287 I290 M294 L381 G382 I383 C387 L388 L389 | L287-M385 HydrophobicContact CD2-CG 3.85Å; I290-M385 HydrophobicContact CG2-CB 4.01Å; I290-M385 HydrophobicContact CG2-CG 4.44Å; M294-M385 HydrophobicContact CE-CB 4.43Å; M294-M385 HydrophobicContact CE-CE 4.49Å; M294-M385 HydrophobicContact CE-SD 4.4Å; L381-M385 WeakPolarHBondContact O-CB 3.42Å; L381-M385 PolarHBondContact O-N 2.86Å; G382-M385 WeakPolarHBondContact O-CB 3.29Å; G382-M385 PolarHBondContact O-N 3.29Å; I383-M385 VanDerWaalsContact C-N 3.3Å; I383-M385 PolarHBondContact O-N 2.91Å; M385-C387 PolarHBondContact O-N 3.13Å; M385-L388 PolarHBondContact O-N 3.31Å; M385-L389 VanDerWaalsContact O-CG 3.32Å; M385-L389 WeakPolarHBondContact O-CG 3.39Å; M385-L389 PolarHBondContact O-N 3.42Å |
| 386 | I | 96.5 | Very high | 91.2 | Very high | 95 Ų | 95 | 52.1 Ų | 52.1 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 179.6 | -67.2 | 166.4 | 0 | 0 | 0 | 110.2 | G382 I383 L388 L389 F390 | G382-I386 WeakPolarHBondContact O-CG1 3.44Å; G382-I386 PolarHBondContact O-N 3.28Å; I383-I386 PolarHBondContact O-N 3.35Å; I386-L388 VanDerWaalsContact C-N 3.32Å; I386-L388 PolarHBondContact O-N 2.7Å; I386-L389 PolarHBondContact O-N 3.33Å; I386-F390 HydrophobicContact CG2-CD2 4.19Å; I386-F390 HydrophobicContact CG2-CE2 3.67Å; I386-F390 WeakPolarHBondContact O-CD2 3.47Å; I386-F390 PolarHBondContact O-N 2.94Å |
| 387 | C | 95.7 | Very high | 91 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 178 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | L221 V225 I383 A384 M385 F390 | L221-C387 HydrophobicContact CD2-CB 4.39Å; V225-C387 HydrophobicContact CG2-CB 3.61Å; I383-C387 WeakPolarHBondContact O-CB 2.83Å; I383-C387 PolarHBondContact O-N 3.32Å; I383-C387 PolarHBondContact O-SG 3.39Å; I383-C387 VanDerWaalsContact O-SG 3.4Å; A384-C387 PolarHBondContact O-N 3.4Å; M385-C387 PolarHBondContact O-N 3.13Å; C387-F390 PolarHBondContact O-N 2.89Å |
| 388 | L | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -37.1 | 179.4 | -178.5 | 62.4 | 0 | 0 | 0 | 112.3 | V225 R283 M286 L287 I290 Y330 A384 M385 I386 F390 I391 | V225-L388 HydrophobicContact CG1-CB 4.39Å; V225-L388 HydrophobicContact CG2-CB 3.97Å; R283-L388 HydrophobicContact CG-CD1 4.13Å; R283-L388 HydrophobicContact CG-CG 4.13Å; M286-L388 HydrophobicContact CB-CD1 4.19Å; M286-L388 HydrophobicContact CB-CD2 3.52Å; L287-L388 HydrophobicContact CB-CD2 4.5Å; L287-L388 HydrophobicContact CD2-CD2 3.79Å; L287-L388 HydrophobicContact CD2-CG 4.44Å; L287-L388 HydrophobicContact CG-CD2 3.73Å; L287-L388 HydrophobicContact CG-CG 4.49Å; I290-L388 HydrophobicContact CD1-CD2 3.71Å; Y330-L388 HydrophobicContact CE1-CD1 4.22Å; A384-L388 VanDerWaalsContact O-CB 3.24Å; A384-L388 WeakPolarHBondContact O-CB 3.31Å; A384-L388 PolarHBondContact O-N 2.63Å; M385-L388 PolarHBondContact O-N 3.31Å; I386-L388 VanDerWaalsContact C-N 3.32Å; I386-L388 PolarHBondContact O-N 2.7Å; L388-F390 PolarHBondContact O-N 3.44Å; L388-I391 HydrophobicContact CD1-CD1 4.08Å; L388-I391 WeakPolarHBondContact O-CB 3.45Å; L388-I391 PolarHBondContact O-N 3.19Å; L388-I391 VanDerWaalsContact O-N 3.07Å |
| 389 | L | 93.5 | Very high | 90.5 | Very high | 94 Ų | 94 | 56.8 Ų | 56.8 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -25.9 | 176.8 | -68.2 | 172.7 | 0 | 0 | 0 | 112.8 | L287 M385 I386 I391 | L287-L389 HydrophobicContact CD1-CD2 4.18Å; L287-L389 HydrophobicContact CD2-CD2 4.16Å; M385-L389 VanDerWaalsContact O-CG 3.32Å; M385-L389 WeakPolarHBondContact O-CG 3.39Å; M385-L389 PolarHBondContact O-N 3.42Å; I386-L389 PolarHBondContact O-N 3.33Å; L389-I391 VanDerWaalsContact C-N 3.33Å |
| 390 | F | 92.1 | Very high | 90.1 | Very high | 120 Ų | 120 | 58.1 Ų | 58.1 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -8.1 | 174.8 | -71.1 | -65.9 | 0 | 0 | 0 | 114.4 | L221 I386 C387 L388 | L221-F390 HydrophobicContact CD1-CB 3.99Å; I386-F390 HydrophobicContact CG2-CD2 4.19Å; I386-F390 HydrophobicContact CG2-CE2 3.67Å; I386-F390 WeakPolarHBondContact O-CD2 3.47Å; I386-F390 PolarHBondContact O-N 2.94Å; C387-F390 PolarHBondContact O-N 2.89Å; L388-F390 PolarHBondContact O-N 3.44Å |
| 391 | I | 88.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -80.4 | 130.9 | 173.2 | -58.9 | 178.6 | 0 | 0 | 0 | 108.2 | D218 L221 L222 V225 R283 Y330 L388 L389 | D218-I391 HydrophobicContact CB-CG2 4.1Å; L221-I391 HydrophobicContact CB-CD1 3.9Å; L221-I391 HydrophobicContact CB-CG1 3.72Å; L221-I391 HydrophobicContact CD1-CG1 4.12Å; L222-I391 HydrophobicContact CB-CD1 3.95Å; L222-I391 HydrophobicContact CD1-CD1 4.31Å; V225-I391 HydrophobicContact CG2-CD1 4.41Å; R283-I391 PolarHBondContact NH1-O 3.03Å; Y330-I391 HydrophobicContact CE2-CG2 4.42Å; Y330-I391 WeakPolarHBondContact OH-CG2 3.38Å; L388-I391 HydrophobicContact CD1-CD1 4.08Å; L388-I391 WeakPolarHBondContact O-CB 3.45Å; L388-I391 PolarHBondContact O-N 3.19Å; L388-I391 VanDerWaalsContact O-N 3.07Å; L389-I391 VanDerWaalsContact C-N 3.33Å |
| 392 | K | 76.9 | Confident | 89 | Confident | 122 Ų | 122 | 66.2 Ų | 66.2 | 53% | 0.53 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -70 | 142.2 | 174.9 | -72.1 | -173.8 | 174.7 | -175.1 | 0 | 109.8 | I394 | K392-I394 PolarHBondContact O-N 3.13Š|
| 393 | D | 68.1 | Low | 88.2 | Confident | 96 Ų | 96 | 70.3 Ų | 70.3 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 131.6 | 166.9 | -79.8 | -31.8 | 0 | 0 | 0 | 108.7 | R283 | R283-D393 WeakPolarHBondContact CB-OD1 3.5Å; R283-D393 WeakPolarHBondContact CD-OD1 3.43Å; R283-D393 VanDerWaalsContact CZ-CG 3.46Å; R283-D393 IonicContact CZ-OD1 3.31Å; R283-D393 IonicContact CZ-OD2 3.38Å; R283-D393 IonicContact NE-OD1 2.98Å; R283-D393 PolarHBondContact NE-OD1 3.41Å; R283-D393 IonicContact NE-OD2 2.7Å; R283-D393 PolarHBondContact NE-OD2 2.87Å; R283-D393 VanDerWaalsContact NH2-CG 3.35Å; R283-D393 IonicContact NH2-OD1 2.73Å; R283-D393 IonicContact NH2-OD2 3.62Å; R283-D393 PolarHBondContact NH2-OD2 2.99Å |
| 394 | I | 61.2 | Low | 87.5 | Confident | 146 Ų | 146 | 68.9 Ų | 68.9 | 75% | 0.749 | 34% | 0.342 | S | S | * | . | trans | -100.7 | 0 | 171 | -55.9 | 174 | 0 | 0 | 0 | 107.8 | Y330 L334 K392 | Y330-I394 HydrophobicContact CE2-CD1 4.17Å; L334-I394 HydrophobicContact CD2-CD1 3.44Å; L334-I394 VanDerWaalsContact CD2-CD1 3.44Å; L334-I394 HydrophobicContact CG-CD1 3.78Å; K392-I394 PolarHBondContact O-N 3.13Å |
Retrieved 394 of 394 residues in 165.3 ms
(Link to these results)