| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.9 | Very low | 66.3 | Low | 241 Ų | 241 | 108.3 Ų | 108.3 | 100% | 1.187 | 58% | 0.577 | S | S | * | * | 0 | 126.4 | 0 | -83.7 | 163.4 | 151.4 | 0 | 0 | 106.9 | |||||
| 2 | D | 36.2 | Very low | 68.5 | Low | 162 Ų | 162 | 106.7 Ų | 106.7 | 87% | 0.866 | 57% | 0.568 | S | S | * | * | trans | 79.7 | 26.8 | -177 | -73.3 | -1.3 | 0 | 0 | 0 | 121.5 | ||||
| 3 | S | 38.9 | Very low | 70.6 | Confident | 113 Ų | 113 | 102.3 Ų | 102.3 | 79% | 0.79 | 54% | 0.543 | S | S | * | . | trans | -85.5 | -1.1 | 170.1 | 55 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 4 | G | 45.2 | Very low | 72.4 | Confident | 59 Ų | 59 | 95 Ų | 95 | 61% | 0.608 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -96.3 | 0.5 | -163.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 5 | K | 54.3 | Low | 73.9 | Confident | 187 Ų | 187 | 88.8 Ų | 88.8 | 81% | 0.813 | 47% | 0.472 | S | S | * | . | trans | -137.8 | 24.8 | -167.2 | -64.6 | -175.6 | -177.1 | 173.9 | 0 | 115.6 | I7 | K5-I7 PolarHBondContact O-N 2.99Š| ||
| 6 | Q | 66.3 | Low | 75.2 | Confident | 135 Ų | 135 | 85.8 Ų | 85.8 | 63% | 0.631 | 47% | 0.468 | S | S | * | . | trans | -88 | 106 | 177.7 | -80.6 | -175.5 | -9.6 | 0 | 0 | 111.7 | T8 | Q6-T8 PolarHBondContact O-N 2.58Š| ||
| 7 | I | 82.4 | Confident | 76.5 | Confident | 97 Ų | 97 | 80.9 Ų | 80.9 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | trans | -71.7 | 111.2 | 161.7 | -64.3 | 176.9 | 0 | 0 | 0 | 106.8 | K5 L12 L151 | K5-I7 PolarHBondContact O-N 2.99Å; I7-L12 HydrophobicContact CG2-CD1 3.62Å; I7-L12 HydrophobicContact CG2-CD2 3.51Å; I7-L12 HydrophobicContact CG2-CG 3.39Å; I7-L151 HydrophobicContact CD1-CD1 4.4Å; I7-L151 HydrophobicContact CG1-CD1 3.86Å | ||
| 8 | T | 92 | Very high | 77.6 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 10% | 0.098 | 42% | 0.417 | C | S | . | . | trans | -92.9 | 155.8 | -179.4 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | Q6 L11 L12 L230 R231 | Q6-T8 PolarHBondContact O-N 2.58Å; T8-L11 PolarHBondContact O-N 3.33Å; T8-L11 WeakPolarHBondContact OG1-CB 3.49Å; T8-L11 PolarHBondContact OG1-N 3.18Å; T8-L12 PolarHBondContact O-N 3.46Å; T8-L230 WeakPolarHBondContact CG2-O 3.18Å; T8-L230 PolarHBondContact OG1-O 2.9Å; T8-R231 VanDerWaalsContact CG2-C 3.49Å; T8-R231 WeakPolarHBondContact CG2-O 3.41Å | ||
| 9 | F | 92.1 | Very high | 78.6 | Confident | 149 Ų | 149 | 73.6 Ų | 73.6 | 65% | 0.654 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58.2 | -43.7 | 173.8 | 177.6 | -100.8 | 0 | 0 | 0 | 113.2 | L11 L12 M13 | F9-L11 VanDerWaalsContact C-N 3.3Å; F9-L11 PolarHBondContact O-N 3.34Å; F9-L12 PolarHBondContact O-N 2.96Å; F9-M13 HydrophobicContact CE1-CE 3.74Å; F9-M13 HydrophobicContact CZ-CE 4.15Å; F9-M13 WeakPolarHBondContact O-CB 3.43Å; F9-M13 PolarHBondContact O-N 2.71Å |
| 10 | P | 92.9 | Very high | 79.5 | Confident | 31 Ų | 31 | 71.3 Ų | 71.3 | 20% | 0.201 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.8 | -38.8 | 173.4 | -27.2 | 36.4 | 0 | 0 | 0 | 113.8 | S14 K229 | P10-S14 WeakPolarHBondContact O-CB 3.19Å; P10-S14 PolarHBondContact O-N 3.3Å; P10-S14 PolarHBondContact O-OG 3.32Å; P10-K229 HydrophobicContact CB-CG 4.09Å; P10-K229 HydrophobicContact CG-CG 4.02Å |
| 11 | L | 93.6 | Very high | 80.3 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 176.5 | 178.3 | 63.6 | 0 | 0 | 0 | 111.4 | T8 F9 M13 S14 V15 V146 P148 L155 L230 | T8-L11 PolarHBondContact O-N 3.33Å; T8-L11 WeakPolarHBondContact OG1-CB 3.49Å; T8-L11 PolarHBondContact OG1-N 3.18Å; F9-L11 VanDerWaalsContact C-N 3.3Å; F9-L11 PolarHBondContact O-N 3.34Å; L11-M13 PolarHBondContact O-N 3.24Å; L11-S14 PolarHBondContact O-N 3.45Å; L11-V15 HydrophobicContact CD1-CG2 4.11Å; L11-V15 WeakPolarHBondContact O-CG2 3.29Å; L11-V15 PolarHBondContact O-N 2.9Å; L11-V146 HydrophobicContact CD1-CG2 4.2Å; L11-P148 HydrophobicContact CD2-CG 4.12Å; L11-L155 HydrophobicContact CD1-CD1 4.46Å; L11-L155 HydrophobicContact CD2-CD1 4.13Å; L11-L155 HydrophobicContact CG-CD1 4.42Å; L11-L230 HydrophobicContact CB-CD2 4.4Å; L11-L230 HydrophobicContact CD1-CD2 4.37Å |
| 12 | L | 93.6 | Very high | 83.1 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.9 | -73.2 | 175.1 | 0 | 0 | 0 | 112 | I7 T8 F9 V15 G16 | I7-L12 HydrophobicContact CG2-CD1 3.62Å; I7-L12 HydrophobicContact CG2-CD2 3.51Å; I7-L12 HydrophobicContact CG2-CG 3.39Å; T8-L12 PolarHBondContact O-N 3.46Å; F9-L12 PolarHBondContact O-N 2.96Å; L12-V15 PolarHBondContact O-N 3.16Å; L12-G16 PolarHBondContact O-N 2.99Å |
| 13 | M | 95.4 | Very high | 86 | Confident | 50 Ų | 50 | 50.7 Ų | 50.7 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 175.7 | -176.2 | -150.8 | -85.4 | 0 | 0 | 111 | F9 L11 T17 L205 | F9-M13 HydrophobicContact CE1-CE 3.74Å; F9-M13 HydrophobicContact CZ-CE 4.15Å; F9-M13 WeakPolarHBondContact O-CB 3.43Å; F9-M13 PolarHBondContact O-N 2.71Å; L11-M13 PolarHBondContact O-N 3.24Å; M13-T17 WeakPolarHBondContact O-CB 3.48Å; M13-T17 PolarHBondContact O-N 3.45Å; M13-T17 PolarHBondContact O-OG1 2.91Å; M13-L205 HydrophobicContact SD-CB 4.08Å |
| 14 | S | 95.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57 | -50.9 | 177.1 | -88.5 | 0 | 0 | 0 | 0 | 112.3 | P10 L11 A18 Y142 P207 | P10-S14 WeakPolarHBondContact O-CB 3.19Å; P10-S14 PolarHBondContact O-N 3.3Å; P10-S14 PolarHBondContact O-OG 3.32Å; L11-S14 PolarHBondContact O-N 3.45Å; S14-A18 WeakPolarHBondContact O-CB 3.48Å; S14-A18 PolarHBondContact O-N 2.81Å; S14-Y142 PolarHBondContact OG-OH 3.25Å; S14-Y142 VanDerWaalsContact OG-OH 3.09Å; S14-P207 VanDerWaalsContact OG-CD 3.25Å; S14-P207 WeakPolarHBondContact OG-CD 3.34Å; S14-P207 WeakPolarHBondContact OG-CG 3.32Å |
| 15 | V | 94.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.2 | -46.1 | -177.2 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | L11 L12 T17 A18 V19 V143 V146 L155 L158 | L11-V15 HydrophobicContact CD1-CG2 4.11Å; L11-V15 WeakPolarHBondContact O-CG2 3.29Å; L11-V15 PolarHBondContact O-N 2.9Å; L12-V15 PolarHBondContact O-N 3.16Å; V15-T17 VanDerWaalsContact C-N 3.33Å; V15-T17 PolarHBondContact O-N 2.93Å; V15-A18 PolarHBondContact O-N 3.31Å; V15-V19 HydrophobicContact CG1-CG2 4.19Å; V15-V19 WeakPolarHBondContact O-CB 3.47Å; V15-V19 VanDerWaalsContact O-CG2 3.22Å; V15-V19 WeakPolarHBondContact O-CG2 3.4Å; V15-V19 PolarHBondContact O-N 3.47Å; V15-V143 HydrophobicContact CG1-CG1 4.18Å; V15-V143 HydrophobicContact CG1-CG2 4.14Å; V15-V143 HydrophobicContact CG2-CG1 4.34Å; V15-V146 HydrophobicContact CG2-CG2 4.15Å; V15-L155 HydrophobicContact CG1-CD2 4.44Å; V15-L155 HydrophobicContact CG2-CD1 4.43Å; V15-L158 HydrophobicContact CG1-CD1 3.59Å |
| 16 | G | 95.2 | Very high | 93.1 | Very high | 40 Ų | 40 | 35 Ų | 35 | 41% | 0.412 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 A18 V19 I20 | L12-G16 PolarHBondContact O-N 2.99Å; G16-A18 PolarHBondContact O-N 3.22Å; G16-V19 PolarHBondContact O-N 3.48Å; G16-I20 PolarHBondContact O-N 2.78Å |
| 17 | T | 97.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.6 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | M13 V15 I20 Q199 L202 L203 | M13-T17 WeakPolarHBondContact O-CB 3.48Å; M13-T17 PolarHBondContact O-N 3.45Å; M13-T17 PolarHBondContact O-OG1 2.91Å; V15-T17 VanDerWaalsContact C-N 3.33Å; V15-T17 PolarHBondContact O-N 2.93Å; T17-I20 WeakPolarHBondContact O-CB 3.38Å; T17-I20 PolarHBondContact O-N 2.86Å; T17-Q199 HydrophobicContact CG2-CG 4.19Å; T17-Q199 PolarHBondContact O-NE2 3.23Å; T17-L202 HydrophobicContact CG2-CB 3.53Å; T17-L203 HydrophobicContact CG2-CB 4.48Å; T17-L203 HydrophobicContact CG2-CD2 3.79Å; T17-L203 HydrophobicContact CG2-CG 3.77Å |
| 18 | A | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | S14 V15 G16 I20 G21 M95 V139 Y142 V143 | S14-A18 WeakPolarHBondContact O-CB 3.48Å; S14-A18 PolarHBondContact O-N 2.81Å; V15-A18 PolarHBondContact O-N 3.31Å; G16-A18 PolarHBondContact O-N 3.22Å; A18-I20 PolarHBondContact O-N 2.93Å; A18-I20 VanDerWaalsContact O-N 3.16Å; A18-G21 PolarHBondContact O-N 3.09Å; A18-M95 HydrophobicContact CB-CE 4.34Å; A18-M95 HydrophobicContact CB-SD 4.12Å; A18-V139 HydrophobicContact CB-CG1 4.14Å; A18-V139 WeakPolarHBondContact O-CG2 3.3Å; A18-Y142 HydrophobicContact CB-CD1 3.61Å; A18-Y142 HydrophobicContact CB-CE1 4.11Å; A18-V143 HydrophobicContact CB-CG2 4.04Å |
| 19 | V | 96.1 | Very high | 95.2 | Very high | 23 Ų | 23 | 23.6 Ų | 23.6 | 14% | 0.139 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.9 | -19.6 | -179.5 | 172.3 | 0 | 0 | 0 | 0 | 112.8 | V15 G16 G21 S22 L23 V139 L158 | V15-V19 HydrophobicContact CG1-CG2 4.19Å; V15-V19 WeakPolarHBondContact O-CB 3.47Å; V15-V19 VanDerWaalsContact O-CG2 3.22Å; V15-V19 WeakPolarHBondContact O-CG2 3.4Å; V15-V19 PolarHBondContact O-N 3.47Å; G16-V19 PolarHBondContact O-N 3.48Å; V19-G21 PolarHBondContact O-N 3.25Å; V19-S22 WeakPolarHBondContact O-CA 3.36Å; V19-S22 VanDerWaalsContact O-CB 3.23Å; V19-S22 WeakPolarHBondContact O-CB 3.35Å; V19-S22 PolarHBondContact O-N 3.01Å; V19-S22 PolarHBondContact O-OG 2.92Å; V19-L23 PolarHBondContact O-N 2.85Å; V19-V139 HydrophobicContact CG2-CG1 4.45Å; V19-L158 VanDerWaalsContact CG1-O 3.3Å; V19-L158 WeakPolarHBondContact CG1-O 3.24Å; V19-L158 HydrophobicContact CG2-CB 3.81Å |
| 20 | I | 97.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 16.6 Ų | 16.6 | 14% | 0.144 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -54.2 | -37 | 169.5 | -60.1 | 169.6 | 0 | 0 | 0 | 111.3 | G16 T17 A18 S22 L23 Q24 P195 I198 Q199 L202 | G16-I20 PolarHBondContact O-N 2.78Å; T17-I20 WeakPolarHBondContact O-CB 3.38Å; T17-I20 PolarHBondContact O-N 2.86Å; A18-I20 PolarHBondContact O-N 2.93Å; A18-I20 VanDerWaalsContact O-N 3.16Å; I20-S22 VanDerWaalsContact C-N 3.25Å; I20-S22 PolarHBondContact O-N 3.17Å; I20-L23 PolarHBondContact O-N 3.48Å; I20-Q24 HydrophobicContact CG2-CG 4.4Å; I20-Q24 WeakPolarHBondContact O-CG 3.49Å; I20-Q24 PolarHBondContact O-N 2.99Å; I20-P195 HydrophobicContact CG2-CB 3.7Å; I20-P195 WeakPolarHBondContact CG2-O 3.35Å; I20-I198 HydrophobicContact CD1-CG2 3.96Å; I20-Q199 HydrophobicContact CB-CB 4.2Å; I20-Q199 HydrophobicContact CB-CG 4.27Å; I20-Q199 HydrophobicContact CD1-CB 4.03Å; I20-Q199 HydrophobicContact CD1-CG 4.44Å; I20-Q199 HydrophobicContact CG2-CB 3.93Å; I20-Q199 HydrophobicContact CG2-CG 4.45Å; I20-L202 HydrophobicContact CD1-CD1 4.2Å |
| 21 | G | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.9 | -28.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A18 V19 F25 Y131 | A18-G21 PolarHBondContact O-N 3.09Å; V19-G21 PolarHBondContact O-N 3.25Å; G21-F25 PolarHBondContact O-N 3.14Å; G21-Y131 WeakPolarHBondContact CA-OH 3.24Å |
| 22 | S | 94.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -74.5 | -41.5 | 175.1 | -43.2 | 0 | 0 | 0 | 0 | 111 | V19 I20 Q24 F25 G26 V139 H159 I163 | V19-S22 WeakPolarHBondContact O-CA 3.36Å; V19-S22 VanDerWaalsContact O-CB 3.23Å; V19-S22 WeakPolarHBondContact O-CB 3.35Å; V19-S22 PolarHBondContact O-N 3.01Å; V19-S22 PolarHBondContact O-OG 2.92Å; I20-S22 VanDerWaalsContact C-N 3.25Å; I20-S22 PolarHBondContact O-N 3.17Å; S22-Q24 VanDerWaalsContact C-N 3.33Å; S22-Q24 PolarHBondContact O-N 2.81Å; S22-F25 PolarHBondContact O-N 2.78Å; S22-G26 PolarHBondContact O-N 3.46Å; S22-V139 WeakPolarHBondContact OG-CG1 3.41Å; S22-H159 WeakPolarHBondContact CB-ND1 3.4Å; S22-H159 VanDerWaalsContact CB-O 3.3Å; S22-H159 WeakPolarHBondContact CB-O 3.43Å; S22-H159 PolarHBondContact OG-ND1 3.18Å; S22-I163 WeakPolarHBondContact O-CA 3.45Å |
| 23 | L | 96.7 | Very high | 95.3 | Very high | 41 Ų | 41 | 11 Ų | 11 | 22% | 0.215 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 172.1 | -174.8 | 156.7 | 0 | 0 | 0 | 111.2 | V19 I20 F25 G26 Y27 G162 I165 G166 I169 | V19-L23 PolarHBondContact O-N 2.85Å; I20-L23 PolarHBondContact O-N 3.48Å; L23-F25 PolarHBondContact O-N 3.21Å; L23-G26 PolarHBondContact O-N 3.03Å; L23-Y27 WeakPolarHBondContact O-CB 3.37Å; L23-Y27 PolarHBondContact O-N 3.46Å; L23-G162 VanDerWaalsContact CA-O 3.26Å; L23-G162 WeakPolarHBondContact CA-O 3.27Å; L23-I165 HydrophobicContact CD1-CG2 4.42Å; L23-G166 WeakPolarHBondContact O-CA 3.36Å; L23-I169 HydrophobicContact CD1-CD1 4.12Å |
| 24 | Q | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 176.4 | -72.6 | -169 | 65 | 0 | 0 | 112.5 | I20 S22 Y27 N28 Y131 P195 S196 | I20-Q24 HydrophobicContact CG2-CG 4.4Å; I20-Q24 WeakPolarHBondContact O-CG 3.49Å; I20-Q24 PolarHBondContact O-N 2.99Å; S22-Q24 VanDerWaalsContact C-N 3.33Å; S22-Q24 PolarHBondContact O-N 2.81Å; Q24-Y27 PolarHBondContact O-N 2.98Å; Q24-N28 WeakPolarHBondContact O-CB 3.49Å; Q24-N28 PolarHBondContact O-N 2.97Å; Q24-N28 PolarHBondContact O-ND2 2.67Å; Q24-Y131 HydrophobicContact CB-CE1 3.71Å; Q24-Y131 VanDerWaalsContact CD-OH 3.27Å; Q24-Y131 HydrophobicContact CG-CE1 4.47Å; Q24-Y131 PolarHBondContact NE2-OH 3.38Å; Q24-P195 HydrophobicContact CG-CB 3.88Å; Q24-P195 HydrophobicContact CG-CG 3.8Å; Q24-S196 PolarHBondContact NE2-OG 2.86Å; Q24-S196 PolarHBondContact OE1-OG 3.22Å |
| 25 | F | 94.9 | Very high | 95 | Very high | 28 Ų | 28 | 9.6 Ų | 9.6 | 12% | 0.123 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.5 | -49.6 | 173.5 | 168.5 | -136.1 | 0 | 0 | 0 | 111.4 | G21 S22 L23 Y27 N28 T29 F71 T136 I163 W411 | G21-F25 PolarHBondContact O-N 3.14Å; S22-F25 PolarHBondContact O-N 2.78Å; L23-F25 PolarHBondContact O-N 3.21Å; F25-Y27 PolarHBondContact O-N 3.35Å; F25-N28 PolarHBondContact O-N 3.15Å; F25-T29 WeakPolarHBondContact CE2-OG1 3.47Å; F25-T29 WeakPolarHBondContact O-CB 3.17Å; F25-T29 PolarHBondContact O-N 3.38Å; F25-T29 VanDerWaalsContact O-N 3.07Å; F25-T29 PolarHBondContact O-OG1 2.85Å; F25-F71 HydrophobicContact CD2-CZ 4.01Å; F25-F71 HydrophobicContact CE2-CE1 4.2Å; F25-F71 HydrophobicContact CE2-CZ 4.05Å; F25-T136 HydrophobicContact CD1-CG2 3.52Å; F25-T136 HydrophobicContact CD2-CG2 4.46Å; F25-T136 HydrophobicContact CE1-CG2 3.58Å; F25-T136 HydrophobicContact CG-CG2 4.01Å; F25-T136 HydrophobicContact CZ-CG2 4.11Å; F25-I163 HydrophobicContact CD1-CD1 3.56Å; F25-I163 HydrophobicContact CD1-CG1 3.63Å; F25-I163 HydrophobicContact CD1-CG2 4.25Å; F25-I163 HydrophobicContact CE1-CD1 3.68Å; F25-I163 HydrophobicContact CE1-CG1 4.14Å; F25-I163 HydrophobicContact CE1-CG2 4.25Å; F25-W411 HydrophobicContact CD2-CH2 4.12Å; F25-W411 AromaticContact CE2-CH2 3.41Å; F25-W411 HydrophobicContact CE2-CH2 3.41Å; F25-W411 VanDerWaalsContact CE2-CH2 3.41Å; F25-W411 HydrophobicContact CE2-CZ2 4.01Å; F25-W411 HydrophobicContact CE2-CZ3 4.27Å; F25-W411 AromaticContact CZ-CH2 3.98Å; F25-W411 HydrophobicContact CZ-CH2 3.98Å; F25-W411 HydrophobicContact CZ-CZ2 4.24Å |
| 26 | G | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S22 L23 N28 T29 G30 I163 I167 | S22-G26 PolarHBondContact O-N 3.46Å; L23-G26 PolarHBondContact O-N 3.03Å; G26-N28 PolarHBondContact O-N 2.92Å; G26-T29 WeakPolarHBondContact O-CB 3.23Å; G26-T29 PolarHBondContact O-N 3.49Å; G26-T29 VanDerWaalsContact O-N 3.16Å; G26-G30 PolarHBondContact O-N 3.27Å; G26-I163 VanDerWaalsContact CA-O 3.28Å; G26-I163 WeakPolarHBondContact CA-O 3.38Å; G26-I167 VanDerWaalsContact O-CG1 3.23Å; G26-I167 WeakPolarHBondContact O-CG1 3.39Å |
| 27 | Y | 97.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.2 | -52 | 178.1 | -174.8 | -89.2 | 0 | 0 | 0 | 111.2 | L23 Q24 F25 T29 G30 V31 G166 I169 A170 F173 L188 F191 | L23-Y27 WeakPolarHBondContact O-CB 3.37Å; L23-Y27 PolarHBondContact O-N 3.46Å; Q24-Y27 PolarHBondContact O-N 2.98Å; F25-Y27 PolarHBondContact O-N 3.35Å; Y27-T29 PolarHBondContact O-N 3.18Å; Y27-G30 PolarHBondContact O-N 2.95Å; Y27-G30 VanDerWaalsContact O-N 3.17Å; Y27-V31 HydrophobicContact CD1-CB 4.27Å; Y27-V31 HydrophobicContact CD1-CG2 4.46Å; Y27-V31 HydrophobicContact CE1-CB 4.02Å; Y27-V31 HydrophobicContact CE1-CG2 3.72Å; Y27-V31 VanDerWaalsContact O-CB 3.23Å; Y27-V31 WeakPolarHBondContact O-CB 3.44Å; Y27-V31 PolarHBondContact O-N 3.32Å; Y27-G166 WeakPolarHBondContact CA-O 3.5Å; Y27-I169 HydrophobicContact CD2-CG2 4.11Å; Y27-I169 HydrophobicContact CE2-CG2 4.1Å; Y27-A170 HydrophobicContact CD2-CB 3.62Å; Y27-A170 HydrophobicContact CE2-CB 3.84Å; Y27-A170 HydrophobicContact CG-CB 4.07Å; Y27-A170 WeakPolarHBondContact O-CB 3.18Å; Y27-F173 AromaticContact CE2-CD2 3.96Å; Y27-F173 HydrophobicContact CE2-CD2 3.96Å; Y27-L188 WeakPolarHBondContact CE1-O 3.35Å; Y27-L188 WeakPolarHBondContact OH-CD1 3.22Å; Y27-L188 PolarHBondContact OH-O 3.37Å; Y27-F191 HydrophobicContact CD2-CD1 4.41Å; Y27-F191 HydrophobicContact CE1-CB 4.15Å; Y27-F191 HydrophobicContact CE1-CD1 4.22Å; Y27-F191 AromaticContact CE2-CD1 3.79Å; Y27-F191 HydrophobicContact CE2-CD1 3.79Å; Y27-F191 HydrophobicContact CE2-CE1 4.42Å; Y27-F191 AromaticContact CZ-CD1 3.69Å; Y27-F191 VanDerWaalsContact OH-CB 3.32Å; Y27-F191 WeakPolarHBondContact OH-CB 3.39Å |
| 28 | N | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.2 | -22 | -179.5 | -75.2 | -73.5 | 0 | 0 | 0 | 113.7 | Q24 F25 G26 F71 R125 V128 | Q24-N28 WeakPolarHBondContact O-CB 3.49Å; Q24-N28 PolarHBondContact O-N 2.97Å; Q24-N28 PolarHBondContact O-ND2 2.67Å; F25-N28 PolarHBondContact O-N 3.15Å; G26-N28 PolarHBondContact O-N 2.92Å; N28-F71 HydrophobicContact CB-CE2 3.99Å; N28-F71 HydrophobicContact CB-CZ 4.35Å; N28-R125 PolarHBondContact O-NH1 3.35Å; N28-V128 HydrophobicContact CB-CG1 4.46Å; N28-V128 HydrophobicContact CB-CG2 4.13Å; N28-V128 WeakPolarHBondContact ND2-CG2 3.39Å; N28-V128 WeakPolarHBondContact OD1-CG2 3.49Å |
| 29 | T | 93 | Very high | 94.6 | Very high | 7 Ų | 7 | 14.8 Ų | 14.8 | 4% | 0.043 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -71.8 | -47.3 | 172.5 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | F25 G26 Y27 Y291 | F25-T29 WeakPolarHBondContact CE2-OG1 3.47Å; F25-T29 WeakPolarHBondContact O-CB 3.17Å; F25-T29 PolarHBondContact O-N 3.38Å; F25-T29 VanDerWaalsContact O-N 3.07Å; F25-T29 PolarHBondContact O-OG1 2.85Å; G26-T29 WeakPolarHBondContact O-CB 3.23Å; G26-T29 PolarHBondContact O-N 3.49Å; G26-T29 VanDerWaalsContact O-N 3.16Å; Y27-T29 PolarHBondContact O-N 3.18Å; T29-Y291 HydrophobicContact CG2-CE1 3.66Å; T29-Y291 WeakPolarHBondContact O-CD1 3.3Å; T29-Y291 WeakPolarHBondContact O-CE1 3.29Å |
| 30 | G | 92.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -86.3 | -24.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116 | G26 Y27 I32 N33 | G26-G30 PolarHBondContact O-N 3.27Å; Y27-G30 PolarHBondContact O-N 2.95Å; Y27-G30 VanDerWaalsContact O-N 3.17Å; G30-I32 PolarHBondContact O-N 2.96Å; G30-I32 VanDerWaalsContact O-N 3.14Å; G30-N33 PolarHBondContact O-N 2.9Å |
| 31 | V | 95.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.7 | -167.6 | 71.6 | 0 | 0 | 0 | 0 | 114.7 | Y27 N33 P35 A170 L188 L189 | Y27-V31 HydrophobicContact CD1-CB 4.27Å; Y27-V31 HydrophobicContact CD1-CG2 4.46Å; Y27-V31 HydrophobicContact CE1-CB 4.02Å; Y27-V31 HydrophobicContact CE1-CG2 3.72Å; Y27-V31 VanDerWaalsContact O-CB 3.23Å; Y27-V31 WeakPolarHBondContact O-CB 3.44Å; Y27-V31 PolarHBondContact O-N 3.32Å; V31-N33 VanDerWaalsContact C-N 3.33Å; V31-N33 PolarHBondContact O-N 3.34Å; V31-P35 WeakPolarHBondContact O-CD 3.29Å; V31-P35 VanDerWaalsContact O-CG 3.25Å; V31-P35 WeakPolarHBondContact O-CG 3.42Å; V31-A170 HydrophobicContact CB-CB 3.96Å; V31-L188 HydrophobicContact CG2-CD1 3.88Å; V31-L188 HydrophobicContact CG2-CD2 4.11Å; V31-L188 HydrophobicContact CG2-CG 3.53Å; V31-L189 HydrophobicContact CB-CD2 4.4Å; V31-L189 HydrophobicContact CG1-CD2 3.7Å; V31-L189 HydrophobicContact CG2-CD2 3.87Å |
| 32 | I | 93.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.3 | -173.8 | -159.4 | 57 | 0 | 0 | 0 | 113.2 | G30 I39 W64 V68 L189 Y291 | G30-I32 PolarHBondContact O-N 2.96Å; G30-I32 VanDerWaalsContact O-N 3.14Å; I32-I39 HydrophobicContact CD1-CD1 3.76Å; I32-W64 HydrophobicContact CD1-CH2 3.47Å; I32-W64 VanDerWaalsContact CD1-CH2 3.47Å; I32-W64 HydrophobicContact CD1-CZ2 4.41Å; I32-W64 HydrophobicContact CD1-CZ3 3.76Å; I32-W64 HydrophobicContact CG1-CH2 3.42Å; I32-W64 VanDerWaalsContact CG1-CH2 3.42Å; I32-W64 HydrophobicContact CG1-CZ2 3.88Å; I32-W64 HydrophobicContact CG1-CZ3 4.09Å; I32-W64 WeakPolarHBondContact O-CH2 3.49Å; I32-W64 WeakPolarHBondContact O-CZ2 3.42Å; I32-V68 HydrophobicContact CG1-CG2 3.97Å; I32-V68 HydrophobicContact CG2-CG1 4.4Å; I32-V68 HydrophobicContact CG2-CG2 4.34Å; I32-L189 HydrophobicContact CD1-CD2 4.5Å; I32-Y291 HydrophobicContact CG2-CD1 4.45Å |
| 33 | N | 91.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -58.3 | -171.3 | 179.4 | -11.7 | 0 | 0 | 0 | 112.7 | G30 V31 Q36 F290 Y291 S293 T294 | G30-N33 PolarHBondContact O-N 2.9Å; V31-N33 VanDerWaalsContact C-N 3.33Å; V31-N33 PolarHBondContact O-N 3.34Å; N33-Q36 WeakPolarHBondContact O-CB 3.37Å; N33-Q36 PolarHBondContact O-N 3.39Å; N33-F290 WeakPolarHBondContact CB-O 3.48Å; N33-F290 PolarHBondContact ND2-O 3.49Å; N33-Y291 WeakPolarHBondContact CA-O 3.34Å; N33-Y291 WeakPolarHBondContact CB-O 3.36Å; N33-S293 PolarHBondContact ND2-N 2.95Å; N33-S293 PolarHBondContact ND2-OG 3.32Å; N33-T294 VanDerWaalsContact OD1-CB 3.23Å; N33-T294 WeakPolarHBondContact OD1-CB 3.41Å; N33-T294 PolarHBondContact OD1-N 2.79Å; N33-T294 VanDerWaalsContact OD1-N 3.16Å; N33-T294 PolarHBondContact OD1-OG1 3.09Å |
| 34 | A | 91.4 | Very high | 94.4 | Very high | 21 Ų | 21 | 19.3 Ų | 19.3 | 17% | 0.174 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -44.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q36 G174 V306 | A34-Q36 PolarHBondContact O-N 3.1Å; A34-G174 WeakPolarHBondContact CB-O 3.46Å; A34-V306 HydrophobicContact CB-CG1 4.47Å |
| 35 | P | 93.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 13.3 | -179.3 | 36.4 | -39.9 | 0 | 0 | 0 | 113.9 | V31 K37 I38 I39 W185 L188 | V31-P35 WeakPolarHBondContact O-CD 3.29Å; V31-P35 VanDerWaalsContact O-CG 3.25Å; V31-P35 WeakPolarHBondContact O-CG 3.42Å; P35-K37 PolarHBondContact O-N 2.96Å; P35-I38 WeakPolarHBondContact O-CB 3.17Å; P35-I38 PolarHBondContact O-N 3.28Å; P35-I39 HydrophobicContact CB-CD1 4.03Å; P35-I39 HydrophobicContact CB-CG1 4.29Å; P35-I39 HydrophobicContact CG-CD1 3.85Å; P35-I39 WeakPolarHBondContact O-CG1 3.31Å; P35-I39 PolarHBondContact O-N 3.05Å; P35-W185 HydrophobicContact CB-CB 4.39Å; P35-L188 HydrophobicContact CB-CD2 4.16Å; P35-L188 HydrophobicContact CG-CD2 3.8Å |
| 36 | Q | 93.2 | Very high | 94.3 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -48.1 | -55.9 | -174.4 | 170.2 | 169.6 | -2.1 | 0 | 0 | 112.7 | N33 A34 I38 I39 E40 W64 Q422 | N33-Q36 WeakPolarHBondContact O-CB 3.37Å; N33-Q36 PolarHBondContact O-N 3.39Å; A34-Q36 PolarHBondContact O-N 3.1Å; Q36-I38 VanDerWaalsContact C-N 3.29Å; Q36-I38 PolarHBondContact O-N 3.47Å; Q36-I39 PolarHBondContact O-N 3.36Å; Q36-E40 HydrophobicContact CG-CG 4.39Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.44Å; Q36-E40 PolarHBondContact NE2-OE1 3.15Å; Q36-E40 WeakPolarHBondContact O-CB 3.49Å; Q36-E40 WeakPolarHBondContact O-CG 3.35Å; Q36-E40 PolarHBondContact O-N 3.37Å; Q36-W64 HydrophobicContact CB-CH2 3.89Å; Q36-W64 HydrophobicContact CB-CZ2 3.5Å; Q36-W64 VanDerWaalsContact CB-CZ2 3.5Å; Q36-W64 HydrophobicContact CG-CD2 4.24Å; Q36-W64 HydrophobicContact CG-CH2 4.11Å; Q36-W64 HydrophobicContact CG-CZ2 3.45Å; Q36-W64 VanDerWaalsContact CG-CZ2 3.45Å; Q36-Q422 VanDerWaalsContact NE2-NE2 3.16Å |
| 37 | K | 92.4 | Very high | 94.3 | Very high | 107 Ų | 107 | 25.4 Ų | 25.4 | 47% | 0.465 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -62.9 | -36.1 | -178.3 | -70.9 | -174 | 171.9 | -171.1 | 0 | 113.3 | P35 E40 N41 E298 | P35-K37 PolarHBondContact O-N 2.96Å; K37-E40 PolarHBondContact O-N 2.8Å; K37-N41 WeakPolarHBondContact O-CB 3.22Å; K37-N41 PolarHBondContact O-N 2.68Å; K37-N41 PolarHBondContact O-ND2 3.37Å; K37-E298 WeakPolarHBondContact CE-OE2 3.39Å; K37-E298 IonicContact NZ-OE1 3.68Å; K37-E298 PolarHBondContact NZ-OE1 3.42Å; K37-E298 IonicContact NZ-OE2 2.91Å; K37-E298 PolarHBondContact NZ-OE2 2.85Å |
| 38 | I | 94.9 | Very high | 94 | Very high | 38 Ų | 38 | 33.1 Ų | 33.1 | 20% | 0.195 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.1 | -42.7 | -179.4 | -65.9 | 160.8 | 0 | 0 | 0 | 109.7 | P35 Q36 N41 F42 G180 W185 | P35-I38 WeakPolarHBondContact O-CB 3.17Å; P35-I38 PolarHBondContact O-N 3.28Å; Q36-I38 VanDerWaalsContact C-N 3.29Å; Q36-I38 PolarHBondContact O-N 3.47Å; I38-N41 PolarHBondContact O-N 3.04Å; I38-F42 PolarHBondContact O-N 3.25Å; I38-G180 VanDerWaalsContact CD1-C 3.48Å; I38-G180 WeakPolarHBondContact CD1-O 3.39Å; I38-W185 HydrophobicContact CG2-CB 4.22Å; I38-W185 HydrophobicContact CG2-CG 3.89Å |
| 39 | I | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.7 | -37.9 | 178.5 | -61.2 | 170.4 | 0 | 0 | 0 | 110.8 | I32 P35 Q36 N41 F42 I43 W64 L121 W185 L189 | I32-I39 HydrophobicContact CD1-CD1 3.76Å; P35-I39 HydrophobicContact CB-CD1 4.03Å; P35-I39 HydrophobicContact CB-CG1 4.29Å; P35-I39 HydrophobicContact CG-CD1 3.85Å; P35-I39 WeakPolarHBondContact O-CG1 3.31Å; P35-I39 PolarHBondContact O-N 3.05Å; Q36-I39 PolarHBondContact O-N 3.36Å; I39-N41 VanDerWaalsContact C-N 3.31Å; I39-N41 PolarHBondContact O-N 3.27Å; I39-F42 WeakPolarHBondContact O-CB 3.25Å; I39-F42 PolarHBondContact O-N 3.34Å; I39-I43 HydrophobicContact CG2-CD1 4.13Å; I39-I43 VanDerWaalsContact O-CG1 3.3Å; I39-I43 WeakPolarHBondContact O-CG1 3.49Å; I39-I43 PolarHBondContact O-N 2.89Å; I39-W64 HydrophobicContact CB-CE3 4.48Å; I39-W64 HydrophobicContact CB-CH2 4.49Å; I39-W64 HydrophobicContact CB-CZ3 3.73Å; I39-W64 HydrophobicContact CD1-CH2 4.28Å; I39-W64 HydrophobicContact CD1-CZ3 4.08Å; I39-W64 HydrophobicContact CG1-CZ3 4.5Å; I39-W64 HydrophobicContact CG2-CE3 4.2Å; I39-W64 HydrophobicContact CG2-CZ3 3.68Å; I39-L121 HydrophobicContact CG2-CD2 3.61Å; I39-W185 HydrophobicContact CD1-CE3 3.9Å; I39-W185 HydrophobicContact CD1-CZ3 4.25Å; I39-W185 HydrophobicContact CG1-CD2 3.9Å; I39-W185 HydrophobicContact CG1-CE3 3.62Å; I39-W185 HydrophobicContact CG1-CG 4.44Å; I39-W185 HydrophobicContact CG1-CZ3 3.97Å; I39-L189 HydrophobicContact CD1-CD1 4.29Å |
| 40 | E | 95.1 | Very high | 94 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.4 | -42.9 | 171.6 | -77.9 | 176.1 | -178.5 | 0 | 0 | 111.5 | Q36 K37 I43 N44 L60 W64 | Q36-E40 HydrophobicContact CG-CG 4.39Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.44Å; Q36-E40 PolarHBondContact NE2-OE1 3.15Å; Q36-E40 WeakPolarHBondContact O-CB 3.49Å; Q36-E40 WeakPolarHBondContact O-CG 3.35Å; Q36-E40 PolarHBondContact O-N 3.37Å; K37-E40 PolarHBondContact O-N 2.8Å; E40-I43 PolarHBondContact O-N 3.36Å; E40-N44 PolarHBondContact O-N 2.91Å; E40-L60 HydrophobicContact CB-CD1 4.25Å; E40-L60 HydrophobicContact CB-CD2 4.27Å; E40-L60 HydrophobicContact CB-CG 4.49Å; E40-L60 HydrophobicContact CG-CD1 4.39Å; E40-L60 HydrophobicContact CG-CG 4.44Å; E40-W64 HydrophobicContact CG-CB 4.37Å; E40-W64 HydrophobicContact CG-CD2 4.28Å; E40-W64 HydrophobicContact CG-CE3 4.34Å; E40-W64 HydrophobicContact CG-CG 4.29Å |
| 41 | N | 94.9 | Very high | 94 | Very high | 92 Ų | 92 | 48.7 Ų | 48.7 | 49% | 0.492 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.3 | -72.7 | -13.8 | 0 | 0 | 0 | 112 | K37 I38 I39 I43 N44 E45 | K37-N41 WeakPolarHBondContact O-CB 3.22Å; K37-N41 PolarHBondContact O-N 2.68Å; K37-N41 PolarHBondContact O-ND2 3.37Å; I38-N41 PolarHBondContact O-N 3.04Å; I39-N41 VanDerWaalsContact C-N 3.31Å; I39-N41 PolarHBondContact O-N 3.27Å; N41-I43 VanDerWaalsContact C-N 3.31Å; N41-I43 PolarHBondContact O-N 3.27Å; N41-N44 WeakPolarHBondContact O-CB 3.32Å; N41-N44 PolarHBondContact O-N 3.28Å; N41-E45 WeakPolarHBondContact O-CB 3.36Å; N41-E45 WeakPolarHBondContact O-CG 3.3Å; N41-E45 PolarHBondContact O-N 3.06Å |
| 42 | F | 95.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 56 Ų | 56 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 174.1 | 158 | -106.2 | 0 | 0 | 0 | 112.4 | I38 I39 T46 K113 W118 W185 | I38-F42 PolarHBondContact O-N 3.25Å; I39-F42 WeakPolarHBondContact O-CB 3.25Å; I39-F42 PolarHBondContact O-N 3.34Å; F42-T46 VanDerWaalsContact CE2-OG1 3.22Å; F42-T46 WeakPolarHBondContact CE2-OG1 3.39Å; F42-T46 VanDerWaalsContact O-CB 3.29Å; F42-T46 WeakPolarHBondContact O-CB 3.46Å; F42-T46 PolarHBondContact O-N 3.39Å; F42-T46 PolarHBondContact O-OG1 2.9Å; F42-K113 HydrophobicContact CD2-CG 4.22Å; F42-K113 HydrophobicContact CE2-CB 4.31Å; F42-K113 HydrophobicContact CE2-CG 4.23Å; F42-W118 HydrophobicContact CE1-CB 4.48Å; F42-W185 HydrophobicContact CB-CZ2 3.98Å; F42-W185 AromaticContact CD1-CH2 3.72Å; F42-W185 HydrophobicContact CD1-CH2 3.72Å; F42-W185 AromaticContact CD1-CZ2 3.59Å; F42-W185 HydrophobicContact CD1-CZ2 3.59Å; F42-W185 HydrophobicContact CD2-CZ2 4.02Å; F42-W185 AromaticContact CE1-CH2 3.88Å; F42-W185 HydrophobicContact CE1-CH2 3.88Å; F42-W185 HydrophobicContact CE1-CZ2 4.06Å; F42-W185 HydrophobicContact CE2-CZ2 4.44Å; F42-W185 HydrophobicContact CG-CH2 4.18Å; F42-W185 AromaticContact CG-CZ2 3.56Å; F42-W185 HydrophobicContact CG-CZ2 3.56Å; F42-W185 HydrophobicContact CZ-CH2 4.48Å; F42-W185 HydrophobicContact CZ-CZ2 4.45Å |
| 43 | I | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 176.7 | -67.6 | 161.1 | 0 | 0 | 0 | 110 | I39 E40 N41 Y47 I55 L60 I63 W118 | I39-I43 HydrophobicContact CG2-CD1 4.13Å; I39-I43 VanDerWaalsContact O-CG1 3.3Å; I39-I43 WeakPolarHBondContact O-CG1 3.49Å; I39-I43 PolarHBondContact O-N 2.89Å; E40-I43 PolarHBondContact O-N 3.36Å; N41-I43 VanDerWaalsContact C-N 3.31Å; N41-I43 PolarHBondContact O-N 3.27Å; I43-Y47 VanDerWaalsContact O-CB 3.32Å; I43-Y47 WeakPolarHBondContact O-CB 3.46Å; I43-Y47 PolarHBondContact O-N 2.88Å; I43-I55 HydrophobicContact CG2-CD1 4.06Å; I43-L60 HydrophobicContact CB-CD1 3.85Å; I43-L60 HydrophobicContact CD1-CD1 4.47Å; I43-L60 HydrophobicContact CG2-CD1 3.64Å; I43-I63 HydrophobicContact CD1-CG2 3.85Å; I43-I63 HydrophobicContact CG1-CG2 4.38Å; I43-I63 HydrophobicContact CG2-CB 4.47Å; I43-I63 HydrophobicContact CG2-CD1 3.95Å; I43-I63 HydrophobicContact CG2-CG2 4.04Å; I43-W118 HydrophobicContact CG1-CB 4.01Å; I43-W118 HydrophobicContact CG2-CD2 4.39Å; I43-W118 HydrophobicContact CG2-CE3 4.02Å; I43-W118 WeakPolarHBondContact O-CZ3 3.04Å |
| 44 | N | 94.7 | Very high | 93.5 | Very high | 55 Ų | 55 | 65.8 Ų | 65.8 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 178.4 | -178.4 | 31.7 | 0 | 0 | 0 | 112.5 | E40 N41 Y47 R48 I55 | E40-N44 PolarHBondContact O-N 2.91Å; N41-N44 WeakPolarHBondContact O-CB 3.32Å; N41-N44 PolarHBondContact O-N 3.28Å; N44-Y47 PolarHBondContact O-N 3.19Å; N44-Y47 VanDerWaalsContact O-N 3.14Å; N44-R48 WeakPolarHBondContact O-CB 3.41Å; N44-R48 PolarHBondContact O-N 2.97Å; N44-I55 HydrophobicContact CB-CG2 3.94Å; N44-I55 WeakPolarHBondContact OD1-CG2 3.16Å |
| 45 | E | 93.6 | Very high | 93.5 | Very high | 120 Ų | 120 | 65.7 Ų | 65.7 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.8 | -49.8 | 177.2 | -74.1 | 171.7 | -178.9 | 0 | 0 | 111.2 | N41 Y47 R48 D49 | N41-E45 WeakPolarHBondContact O-CB 3.36Å; N41-E45 WeakPolarHBondContact O-CG 3.3Å; N41-E45 PolarHBondContact O-N 3.06Å; E45-Y47 PolarHBondContact O-N 3.44Å; E45-R48 PolarHBondContact O-N 3.01Å; E45-D49 VanDerWaalsContact O-CG 3.28Å; E45-D49 PolarHBondContact O-N 3.18Å |
| 46 | T | 94.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.3 | -33.6 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | F42 R50 S116 W118 | F42-T46 VanDerWaalsContact CE2-OG1 3.22Å; F42-T46 WeakPolarHBondContact CE2-OG1 3.39Å; F42-T46 VanDerWaalsContact O-CB 3.29Å; F42-T46 WeakPolarHBondContact O-CB 3.46Å; F42-T46 PolarHBondContact O-N 3.39Å; F42-T46 PolarHBondContact O-OG1 2.9Å; T46-R50 WeakPolarHBondContact O-CB 3.49Å; T46-R50 VanDerWaalsContact O-CG 3.23Å; T46-R50 WeakPolarHBondContact O-CG 3.46Å; T46-R50 PolarHBondContact O-N 2.81Å; T46-R50 VanDerWaalsContact O-N 3.16Å; T46-S116 WeakPolarHBondContact CG2-O 3.31Å; T46-W118 VanDerWaalsContact CB-CZ3 3.48Å; T46-W118 HydrophobicContact CG2-CE3 3.55Å; T46-W118 HydrophobicContact CG2-CH2 4.21Å; T46-W118 HydrophobicContact CG2-CZ3 3.35Å |
| 47 | Y | 94.5 | Very high | 93.2 | Very high | 32 Ų | 32 | 75.5 Ų | 75.5 | 13% | 0.125 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76.5 | -44.6 | -175.4 | -176.3 | -89 | 0 | 0 | 0 | 109.6 | I43 N44 E45 D49 R50 Y51 E53 I55 F59 W118 | I43-Y47 VanDerWaalsContact O-CB 3.32Å; I43-Y47 WeakPolarHBondContact O-CB 3.46Å; I43-Y47 PolarHBondContact O-N 2.88Å; N44-Y47 PolarHBondContact O-N 3.19Å; N44-Y47 VanDerWaalsContact O-N 3.14Å; E45-Y47 PolarHBondContact O-N 3.44Å; Y47-D49 VanDerWaalsContact C-N 3.3Å; Y47-D49 PolarHBondContact O-N 2.82Å; Y47-R50 PolarHBondContact O-N 3.37Å; Y47-Y51 HydrophobicContact CD1-CD2 4.15Å; Y47-Y51 AromaticContact CD2-CD2 3.44Å; Y47-Y51 HydrophobicContact CD2-CD2 3.44Å; Y47-Y51 VanDerWaalsContact CD2-CD2 3.44Å; Y47-Y51 AromaticContact CD2-CE2 3.6Å; Y47-Y51 HydrophobicContact CD2-CE2 3.6Å; Y47-Y51 HydrophobicContact CE1-CD2 4.13Å; Y47-Y51 AromaticContact CE2-CD2 3.34Å; Y47-Y51 HydrophobicContact CE2-CD2 3.34Å; Y47-Y51 AromaticContact CE2-CE2 3.51Å; Y47-Y51 HydrophobicContact CE2-CE2 3.51Å; Y47-Y51 HydrophobicContact CE2-CG 4.2Å; Y47-Y51 AromaticContact CG-CD2 3.83Å; Y47-Y51 HydrophobicContact CG-CD2 3.83Å; Y47-Y51 HydrophobicContact CG-CE2 4.39Å; Y47-Y51 AromaticContact CZ-CD2 3.73Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.48Å; Y47-Y51 PolarHBondContact O-N 2.61Å; Y47-E53 HydrophobicContact CE1-CG 3.86Å; Y47-E53 PolarHBondContact OH-OE1 3.06Å; Y47-I55 HydrophobicContact CD1-CB 3.68Å; Y47-I55 HydrophobicContact CD1-CG1 4.02Å; Y47-I55 HydrophobicContact CD2-CD1 4.19Å; Y47-I55 HydrophobicContact CD2-CG1 4.3Å; Y47-I55 HydrophobicContact CE1-CB 4.15Å; Y47-I55 HydrophobicContact CE1-CG1 4.23Å; Y47-I55 HydrophobicContact CG-CB 4.02Å; Y47-I55 HydrophobicContact CG-CD1 4.1Å; Y47-I55 HydrophobicContact CG-CG1 4.04Å; Y47-F59 HydrophobicContact CD2-CE1 4.3Å; Y47-F59 HydrophobicContact CE2-CD1 4.23Å; Y47-F59 AromaticContact CE2-CE1 3.8Å; Y47-F59 HydrophobicContact CE2-CE1 3.8Å; Y47-W118 AromaticContact CD2-CH2 3.6Å; Y47-W118 HydrophobicContact CD2-CH2 3.6Å; Y47-W118 HydrophobicContact CD2-CZ2 4.14Å; Y47-W118 HydrophobicContact CD2-CZ3 4.35Å; Y47-W118 HydrophobicContact CG-CH2 4.12Å; Y47-W118 VanDerWaalsContact N-CZ3 3.32Å |
| 48 | R | 92.9 | Very high | 93 | Very high | 164 Ų | 164 | 74.1 Ų | 74.1 | 62% | 0.619 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.9 | -43.2 | 173 | -172.8 | -179.3 | -179.6 | -175.9 | -0.4 | 111.7 | N44 E45 R50 Q52 E53 | N44-R48 WeakPolarHBondContact O-CB 3.41Å; N44-R48 PolarHBondContact O-N 2.97Å; E45-R48 PolarHBondContact O-N 3.01Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 3.28Å; R48-Q52 WeakPolarHBondContact O-CA 3.32Å; R48-Q52 PolarHBondContact O-N 3.42Å; R48-E53 WeakPolarHBondContact CA-O 3.21Å |
| 49 | D | 93 | Very high | 92.8 | Very high | 109 Ų | 109 | 76.6 Ų | 76.6 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.2 | -37.4 | 179.3 | -71 | -13.8 | 0 | 0 | 0 | 112.2 | E45 Y47 Q52 | E45-D49 VanDerWaalsContact O-CG 3.28Å; E45-D49 PolarHBondContact O-N 3.18Å; Y47-D49 VanDerWaalsContact C-N 3.3Å; Y47-D49 PolarHBondContact O-N 2.82Å; D49-Q52 PolarHBondContact O-NE2 3.36Å |
| 50 | R | 94.3 | Very high | 92.7 | Very high | 98 Ų | 98 | 78 Ų | 78 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -78.8 | -42.8 | -178.6 | -72.2 | 173.5 | 178.3 | -163.8 | 2.8 | 113.9 | T46 Y47 R48 S116 E119 | T46-R50 WeakPolarHBondContact O-CB 3.49Å; T46-R50 VanDerWaalsContact O-CG 3.23Å; T46-R50 WeakPolarHBondContact O-CG 3.46Å; T46-R50 PolarHBondContact O-N 2.81Å; T46-R50 VanDerWaalsContact O-N 3.16Å; Y47-R50 PolarHBondContact O-N 3.37Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 3.28Å; R50-S116 PolarHBondContact NE-O 2.93Å; R50-S116 PolarHBondContact NH2-O 2.95Å; R50-E119 IonicContact CZ-OE1 3.26Å; R50-E119 IonicContact CZ-OE2 2.86Å; R50-E119 IonicContact NH1-OE1 2.71Å; R50-E119 PolarHBondContact NH1-OE1 2.99Å; R50-E119 IonicContact NH1-OE2 3.27Å; R50-E119 PolarHBondContact NH1-OE2 3.22Å; R50-E119 IonicContact NH2-OE1 2.86Å; R50-E119 IonicContact NH2-OE2 2.72Å; R50-E119 PolarHBondContact NH2-OE2 2.86Å |
| 51 | Y | 92.9 | Very high | 92.4 | Very high | 128 Ų | 128 | 77 Ų | 77 | 50% | 0.502 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -110.1 | -7 | -170.1 | -59.5 | -75.9 | 0 | 0 | 0 | 113.5 | Y47 E53 W118 | Y47-Y51 HydrophobicContact CD1-CD2 4.15Å; Y47-Y51 AromaticContact CD2-CD2 3.44Å; Y47-Y51 HydrophobicContact CD2-CD2 3.44Å; Y47-Y51 VanDerWaalsContact CD2-CD2 3.44Å; Y47-Y51 AromaticContact CD2-CE2 3.6Å; Y47-Y51 HydrophobicContact CD2-CE2 3.6Å; Y47-Y51 HydrophobicContact CE1-CD2 4.13Å; Y47-Y51 AromaticContact CE2-CD2 3.34Å; Y47-Y51 HydrophobicContact CE2-CD2 3.34Å; Y47-Y51 AromaticContact CE2-CE2 3.51Å; Y47-Y51 HydrophobicContact CE2-CE2 3.51Å; Y47-Y51 HydrophobicContact CE2-CG 4.2Å; Y47-Y51 AromaticContact CG-CD2 3.83Å; Y47-Y51 HydrophobicContact CG-CD2 3.83Å; Y47-Y51 HydrophobicContact CG-CE2 4.39Å; Y47-Y51 AromaticContact CZ-CD2 3.73Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.48Å; Y47-Y51 PolarHBondContact O-N 2.61Å; Y51-E53 PolarHBondContact O-N 2.91Å; Y51-W118 HydrophobicContact CE2-CH2 4.13Å; Y51-W118 HydrophobicContact CE2-CZ2 4.33Å |
| 52 | Q | 92.2 | Very high | 92.2 | Very high | 157 Ų | 157 | 73.6 Ų | 73.6 | 73% | 0.734 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 59.5 | 22.3 | -179.3 | -56.5 | -63.7 | -42.8 | 0 | 0 | 113.8 | R48 D49 | R48-Q52 WeakPolarHBondContact O-CA 3.32Å; R48-Q52 PolarHBondContact O-N 3.42Å; D49-Q52 PolarHBondContact O-NE2 3.36Å |
| 53 | E | 90.5 | Very high | 92.1 | Very high | 99 Ų | 99 | 73.5 Ų | 73.5 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -134.9 | 152.2 | 178.3 | 64.5 | 177.9 | 175.8 | 0 | 0 | 111.1 | Y47 R48 Y51 | Y47-E53 HydrophobicContact CE1-CG 3.86Å; Y47-E53 PolarHBondContact OH-OE1 3.06Å; R48-E53 WeakPolarHBondContact CA-O 3.21Å; Y51-E53 PolarHBondContact O-N 2.91Å |
| 54 | P | 87.7 | Confident | 92 | Very high | 108 Ų | 108 | 73.5 Ų | 73.5 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -71 | 139.5 | 176.9 | 29.4 | -33.7 | 0 | 0 | 0 | 111 | ||
| 55 | I | 92.4 | Very high | 91.8 | Very high | 18 Ų | 18 | 70.9 Ų | 70.9 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 137.7 | 175.3 | -159.5 | 172.2 | 0 | 0 | 0 | 110.4 | I43 N44 Y47 F59 L60 I63 | I43-I55 HydrophobicContact CG2-CD1 4.06Å; N44-I55 HydrophobicContact CB-CG2 3.94Å; N44-I55 WeakPolarHBondContact OD1-CG2 3.16Å; Y47-I55 HydrophobicContact CD1-CB 3.68Å; Y47-I55 HydrophobicContact CD1-CG1 4.02Å; Y47-I55 HydrophobicContact CD2-CD1 4.19Å; Y47-I55 HydrophobicContact CD2-CG1 4.3Å; Y47-I55 HydrophobicContact CE1-CB 4.15Å; Y47-I55 HydrophobicContact CE1-CG1 4.23Å; Y47-I55 HydrophobicContact CG-CB 4.02Å; Y47-I55 HydrophobicContact CG-CD1 4.1Å; Y47-I55 HydrophobicContact CG-CG1 4.04Å; I55-F59 HydrophobicContact CD1-CD1 3.78Å; I55-F59 HydrophobicContact CD1-CE1 4.41Å; I55-F59 HydrophobicContact CG1-CB 4.37Å; I55-F59 HydrophobicContact CG1-CD1 3.75Å; I55-L60 HydrophobicContact CD1-CB 4.02Å; I55-L60 HydrophobicContact CD1-CD1 4.25Å; I55-L60 HydrophobicContact CG1-CB 4.4Å; I55-L60 HydrophobicContact CG2-CB 4.06Å; I55-L60 HydrophobicContact CG2-CD2 4.34Å; I55-I63 HydrophobicContact CD1-CD1 4.01Å |
| 56 | S | 92.6 | Very high | 91.8 | Very high | 64 Ų | 64 | 68.7 Ų | 68.7 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 143 | 171.2 | 64.8 | 0 | 0 | 0 | 0 | 111 | S58 F59 L60 | S56-S58 PolarHBondContact O-N 3.43Å; S56-S58 PolarHBondContact OG-OG 2.9Å; S56-F59 PolarHBondContact O-N 2.81Å; S56-F59 VanDerWaalsContact O-N 3.1Å; S56-F59 WeakPolarHBondContact OG-CB 3.41Å; S56-F59 PolarHBondContact OG-N 3.48Å; S56-L60 PolarHBondContact O-N 2.71Å |
| 57 | E | 87.9 | Confident | 91.8 | Very high | 152 Ų | 152 | 68.4 Ų | 68.4 | 71% | 0.71 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.5 | -36.9 | -179.9 | -69.5 | -169.1 | 174.7 | 0 | 0 | 112.7 | T61 | E57-T61 WeakPolarHBondContact O-CB 3.34Å; E57-T61 PolarHBondContact O-N 3.3Å; E57-T61 PolarHBondContact O-OG1 3.28Å |
| 58 | S | 88 | Confident | 91.7 | Very high | 77 Ų | 77 | 66.9 Ų | 66.9 | 54% | 0.538 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 177 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | S56 T61 A62 | S56-S58 PolarHBondContact O-N 3.43Å; S56-S58 PolarHBondContact OG-OG 2.9Å; S58-T61 PolarHBondContact O-N 3.4Å; S58-A62 PolarHBondContact O-N 2.97Å |
| 59 | F | 91.1 | Very high | 91.7 | Very high | 91 Ų | 91 | 59.3 Ų | 59.3 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.2 | -41.4 | 179.1 | -169.6 | -122.6 | 0 | 0 | 0 | 112.3 | Y47 I55 S56 T61 A62 I63 | Y47-F59 HydrophobicContact CD2-CE1 4.3Å; Y47-F59 HydrophobicContact CE2-CD1 4.23Å; Y47-F59 AromaticContact CE2-CE1 3.8Å; Y47-F59 HydrophobicContact CE2-CE1 3.8Å; I55-F59 HydrophobicContact CD1-CD1 3.78Å; I55-F59 HydrophobicContact CD1-CE1 4.41Å; I55-F59 HydrophobicContact CG1-CB 4.37Å; I55-F59 HydrophobicContact CG1-CD1 3.75Å; S56-F59 PolarHBondContact O-N 2.81Å; S56-F59 VanDerWaalsContact O-N 3.1Å; S56-F59 WeakPolarHBondContact OG-CB 3.41Å; S56-F59 PolarHBondContact OG-N 3.48Å; F59-T61 VanDerWaalsContact C-N 3.28Å; F59-T61 PolarHBondContact O-N 2.94Å; F59-A62 WeakPolarHBondContact O-CB 3.36Å; F59-A62 PolarHBondContact O-N 3.06Å; F59-A62 VanDerWaalsContact O-N 3.07Å; F59-I63 HydrophobicContact CD1-CD1 4Å; F59-I63 HydrophobicContact CE1-CD1 3.62Å; F59-I63 HydrophobicContact CE1-CG1 4.31Å; F59-I63 HydrophobicContact CE2-CG1 4.48Å; F59-I63 HydrophobicContact CZ-CD1 3.96Å; F59-I63 HydrophobicContact CZ-CG1 4.25Å; F59-I63 WeakPolarHBondContact O-CG1 3.37Å; F59-I63 PolarHBondContact O-N 3.07Å |
| 60 | L | 91.8 | Very high | 91.9 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.9 | -44.6 | 173.3 | 179 | 60.3 | 0 | 0 | 0 | 111.5 | E40 I43 I55 S56 A62 I63 W64 | E40-L60 HydrophobicContact CB-CD1 4.25Å; E40-L60 HydrophobicContact CB-CD2 4.27Å; E40-L60 HydrophobicContact CB-CG 4.49Å; E40-L60 HydrophobicContact CG-CD1 4.39Å; E40-L60 HydrophobicContact CG-CG 4.44Å; I43-L60 HydrophobicContact CB-CD1 3.85Å; I43-L60 HydrophobicContact CD1-CD1 4.47Å; I43-L60 HydrophobicContact CG2-CD1 3.64Å; I55-L60 HydrophobicContact CD1-CB 4.02Å; I55-L60 HydrophobicContact CD1-CD1 4.25Å; I55-L60 HydrophobicContact CG1-CB 4.4Å; I55-L60 HydrophobicContact CG2-CB 4.06Å; I55-L60 HydrophobicContact CG2-CD2 4.34Å; S56-L60 PolarHBondContact O-N 2.71Å; L60-A62 VanDerWaalsContact C-N 3.29Å; L60-A62 PolarHBondContact O-N 3.09Å; L60-I63 PolarHBondContact O-N 2.6Å; L60-W64 WeakPolarHBondContact O-CB 3.21Å; L60-W64 PolarHBondContact O-N 3.24Å |
| 61 | T | 88.9 | Confident | 92 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.043 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 176.6 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | E57 S58 F59 S65 Q422 R426 | E57-T61 WeakPolarHBondContact O-CB 3.34Å; E57-T61 PolarHBondContact O-N 3.3Å; E57-T61 PolarHBondContact O-OG1 3.28Å; S58-T61 PolarHBondContact O-N 3.4Å; F59-T61 VanDerWaalsContact C-N 3.28Å; F59-T61 PolarHBondContact O-N 2.94Å; T61-S65 WeakPolarHBondContact O-CB 3.3Å; T61-S65 PolarHBondContact O-N 3Å; T61-S65 PolarHBondContact O-OG 3.49Å; T61-Q422 HydrophobicContact CG2-CB 4.38Å; T61-R426 PolarHBondContact OG1-NH1 2.95Å; T61-R426 PolarHBondContact OG1-NH2 3.29Å |
| 62 | A | 91.3 | Very high | 92 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 17% | 0.174 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -48 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S58 F59 L60 W64 S65 I66 Y423 | S58-A62 PolarHBondContact O-N 2.97Å; F59-A62 WeakPolarHBondContact O-CB 3.36Å; F59-A62 PolarHBondContact O-N 3.06Å; F59-A62 VanDerWaalsContact O-N 3.07Å; L60-A62 VanDerWaalsContact C-N 3.29Å; L60-A62 PolarHBondContact O-N 3.09Å; A62-W64 PolarHBondContact O-N 3.29Å; A62-S65 PolarHBondContact O-N 3.02Å; A62-I66 WeakPolarHBondContact O-CB 3.28Å; A62-I66 WeakPolarHBondContact O-CD1 3.46Å; A62-I66 VanDerWaalsContact O-CG1 3.22Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 3.25Å; A62-Y423 WeakPolarHBondContact CA-OH 3.48Å |
| 63 | I | 93.7 | Very high | 92.2 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 177 | -64.6 | 177.8 | 0 | 0 | 0 | 110.7 | I43 I55 F59 L60 I66 S67 W118 I122 | I43-I63 HydrophobicContact CD1-CG2 3.85Å; I43-I63 HydrophobicContact CG1-CG2 4.38Å; I43-I63 HydrophobicContact CG2-CB 4.47Å; I43-I63 HydrophobicContact CG2-CD1 3.95Å; I43-I63 HydrophobicContact CG2-CG2 4.04Å; I55-I63 HydrophobicContact CD1-CD1 4.01Å; F59-I63 HydrophobicContact CD1-CD1 4Å; F59-I63 HydrophobicContact CE1-CD1 3.62Å; F59-I63 HydrophobicContact CE1-CG1 4.31Å; F59-I63 HydrophobicContact CE2-CG1 4.48Å; F59-I63 HydrophobicContact CZ-CD1 3.96Å; F59-I63 HydrophobicContact CZ-CG1 4.25Å; F59-I63 WeakPolarHBondContact O-CG1 3.37Å; F59-I63 PolarHBondContact O-N 3.07Å; L60-I63 PolarHBondContact O-N 2.6Å; I63-I66 PolarHBondContact O-N 2.84Å; I63-S67 WeakPolarHBondContact O-CB 3.46Å; I63-S67 PolarHBondContact O-N 3.31Å; I63-S67 PolarHBondContact O-OG 3.14Å; I63-W118 HydrophobicContact CG2-CG 4.46Å; I63-I122 HydrophobicContact CG2-CD1 4.34Å |
| 64 | W | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61 | -50.4 | 177.3 | 177.1 | -107.7 | 0 | 0 | 0 | 111.8 | I32 Q36 I39 E40 L60 A62 I66 S67 V68 Y292 | I32-W64 HydrophobicContact CD1-CH2 3.47Å; I32-W64 VanDerWaalsContact CD1-CH2 3.47Å; I32-W64 HydrophobicContact CD1-CZ2 4.41Å; I32-W64 HydrophobicContact CD1-CZ3 3.76Å; I32-W64 HydrophobicContact CG1-CH2 3.42Å; I32-W64 VanDerWaalsContact CG1-CH2 3.42Å; I32-W64 HydrophobicContact CG1-CZ2 3.88Å; I32-W64 HydrophobicContact CG1-CZ3 4.09Å; I32-W64 WeakPolarHBondContact O-CH2 3.49Å; I32-W64 WeakPolarHBondContact O-CZ2 3.42Å; Q36-W64 HydrophobicContact CB-CH2 3.89Å; Q36-W64 HydrophobicContact CB-CZ2 3.5Å; Q36-W64 VanDerWaalsContact CB-CZ2 3.5Å; Q36-W64 HydrophobicContact CG-CD2 4.24Å; Q36-W64 HydrophobicContact CG-CH2 4.11Å; Q36-W64 HydrophobicContact CG-CZ2 3.45Å; Q36-W64 VanDerWaalsContact CG-CZ2 3.45Å; I39-W64 HydrophobicContact CB-CE3 4.48Å; I39-W64 HydrophobicContact CB-CH2 4.49Å; I39-W64 HydrophobicContact CB-CZ3 3.73Å; I39-W64 HydrophobicContact CD1-CH2 4.28Å; I39-W64 HydrophobicContact CD1-CZ3 4.08Å; I39-W64 HydrophobicContact CG1-CZ3 4.5Å; I39-W64 HydrophobicContact CG2-CE3 4.2Å; I39-W64 HydrophobicContact CG2-CZ3 3.68Å; E40-W64 HydrophobicContact CG-CB 4.37Å; E40-W64 HydrophobicContact CG-CD2 4.28Å; E40-W64 HydrophobicContact CG-CE3 4.34Å; E40-W64 HydrophobicContact CG-CG 4.29Å; L60-W64 WeakPolarHBondContact O-CB 3.21Å; L60-W64 PolarHBondContact O-N 3.24Å; A62-W64 PolarHBondContact O-N 3.29Å; W64-I66 VanDerWaalsContact C-N 3.28Å; W64-I66 PolarHBondContact O-N 3.1Å; W64-S67 WeakPolarHBondContact O-CA 3.24Å; W64-S67 WeakPolarHBondContact O-CB 3.3Å; W64-S67 PolarHBondContact O-N 3.48Å; W64-V68 HydrophobicContact CD2-CG2 4.22Å; W64-V68 HydrophobicContact CH2-CG2 4.5Å; W64-V68 HydrophobicContact CZ2-CG2 3.85Å; W64-V68 WeakPolarHBondContact O-CG2 3.24Å; W64-V68 PolarHBondContact O-N 3.36Å; W64-Y292 AromaticContact NE1-CE1 3.74Å |
| 65 | S | 90.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.8 | -37.3 | 179.7 | -58.8 | 0 | 0 | 0 | 0 | 112 | T61 A62 S69 | T61-S65 WeakPolarHBondContact O-CB 3.3Å; T61-S65 PolarHBondContact O-N 3Å; T61-S65 PolarHBondContact O-OG 3.49Å; A62-S65 PolarHBondContact O-N 3.02Å; S65-S69 VanDerWaalsContact O-CB 3.23Å; S65-S69 WeakPolarHBondContact O-CB 3.22Å; S65-S69 PolarHBondContact O-N 3.26Å; S65-S69 PolarHBondContact O-OG 2.97Å |
| 66 | I | 94.2 | Very high | 92.7 | Very high | 73 Ų | 73 | 29.5 Ų | 29.5 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 172.1 | -70.8 | 166.1 | 0 | 0 | 0 | 110.5 | A62 I63 W64 V68 S69 I70 I122 | A62-I66 WeakPolarHBondContact O-CB 3.28Å; A62-I66 WeakPolarHBondContact O-CD1 3.46Å; A62-I66 VanDerWaalsContact O-CG1 3.22Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 3.25Å; I63-I66 PolarHBondContact O-N 2.84Å; W64-I66 VanDerWaalsContact C-N 3.28Å; W64-I66 PolarHBondContact O-N 3.1Å; I66-V68 VanDerWaalsContact C-N 3.25Å; I66-V68 PolarHBondContact O-N 3.23Å; I66-S69 PolarHBondContact O-N 2.72Å; I66-I70 VanDerWaalsContact O-CB 3.22Å; I66-I70 WeakPolarHBondContact O-CB 3.27Å; I66-I70 VanDerWaalsContact O-CG2 3.3Å; I66-I70 WeakPolarHBondContact O-CG2 3.41Å; I66-I70 PolarHBondContact O-N 2.89Å; I66-I122 HydrophobicContact CG2-CD1 4.31Å; I66-I122 HydrophobicContact CG2-CG2 4.21Å |
| 67 | S | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -34.9 | 179.6 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | I63 W64 I122 R125 | I63-S67 WeakPolarHBondContact O-CB 3.46Å; I63-S67 PolarHBondContact O-N 3.31Å; I63-S67 PolarHBondContact O-OG 3.14Å; W64-S67 WeakPolarHBondContact O-CA 3.24Å; W64-S67 WeakPolarHBondContact O-CB 3.3Å; W64-S67 PolarHBondContact O-N 3.48Å; S67-I122 WeakPolarHBondContact OG-CG1 3.48Å; S67-R125 WeakPolarHBondContact O-CB 3.2Å; S67-R125 WeakPolarHBondContact O-CG 3.48Å; S67-R125 PolarHBondContact O-NE 3.02Å |
| 68 | V | 92.5 | Very high | 93 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -75.7 | -51.1 | 174.1 | -179.6 | 0 | 0 | 0 | 0 | 111 | I32 W64 I66 F71 Y291 Y292 A418 | I32-V68 HydrophobicContact CG1-CG2 3.97Å; I32-V68 HydrophobicContact CG2-CG1 4.4Å; I32-V68 HydrophobicContact CG2-CG2 4.34Å; W64-V68 HydrophobicContact CD2-CG2 4.22Å; W64-V68 HydrophobicContact CH2-CG2 4.5Å; W64-V68 HydrophobicContact CZ2-CG2 3.85Å; W64-V68 WeakPolarHBondContact O-CG2 3.24Å; W64-V68 PolarHBondContact O-N 3.36Å; I66-V68 VanDerWaalsContact C-N 3.25Å; I66-V68 PolarHBondContact O-N 3.23Å; V68-F71 WeakPolarHBondContact O-CB 3.37Å; V68-Y291 HydrophobicContact CG1-CD1 4.46Å; V68-Y291 HydrophobicContact CG1-CD2 3.93Å; V68-Y291 HydrophobicContact CG1-CE2 4.38Å; V68-Y291 HydrophobicContact CG1-CG 3.98Å; V68-Y292 HydrophobicContact CG2-CE1 4.47Å; V68-A418 HydrophobicContact CG1-CB 4.44Å |
| 69 | S | 93.3 | Very high | 93 | Very high | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.028 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -76.4 | -26.6 | -170.6 | 61.8 | 0 | 0 | 0 | 0 | 114.9 | S65 I66 F71 S72 V73 F415 | S65-S69 VanDerWaalsContact O-CB 3.23Å; S65-S69 WeakPolarHBondContact O-CB 3.22Å; S65-S69 PolarHBondContact O-N 3.26Å; S65-S69 PolarHBondContact O-OG 2.97Å; I66-S69 PolarHBondContact O-N 2.72Å; S69-F71 PolarHBondContact O-N 3.22Å; S69-S72 WeakPolarHBondContact O-CB 3.2Å; S69-S72 PolarHBondContact O-N 2.99Å; S69-V73 PolarHBondContact O-N 3.39Å; S69-F415 WeakPolarHBondContact O-CD2 3.46Å |
| 70 | I | 96.6 | Very high | 92.8 | Very high | 38 Ų | 38 | 22 Ų | 22 | 20% | 0.195 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.8 | -24.5 | 179 | -161 | 69.6 | 0 | 0 | 0 | 112.5 | I66 S72 V73 G74 I122 R125 F126 | I66-I70 VanDerWaalsContact O-CB 3.22Å; I66-I70 WeakPolarHBondContact O-CB 3.27Å; I66-I70 VanDerWaalsContact O-CG2 3.3Å; I66-I70 WeakPolarHBondContact O-CG2 3.41Å; I66-I70 PolarHBondContact O-N 2.89Å; I70-S72 VanDerWaalsContact C-N 3.29Å; I70-S72 PolarHBondContact O-N 2.86Å; I70-V73 HydrophobicContact CD1-CB 4.14Å; I70-V73 HydrophobicContact CD1-CG1 4.45Å; I70-V73 HydrophobicContact CD1-CG2 4.21Å; I70-V73 WeakPolarHBondContact O-CB 3.47Å; I70-V73 PolarHBondContact O-N 3.24Å; I70-G74 PolarHBondContact O-N 2.67Å; I70-I122 HydrophobicContact CG1-CG2 4.44Å; I70-I122 HydrophobicContact CG2-CG2 4.15Å; I70-I122 WeakPolarHBondContact CG2-O 3.28Å; I70-R125 HydrophobicContact CG2-CB 3.68Å; I70-F126 HydrophobicContact CD1-CD2 4.37Å; I70-F126 HydrophobicContact CG1-CB 3.79Å; I70-F126 HydrophobicContact CG1-CD2 4.04Å; I70-F126 HydrophobicContact CG1-CG 4.31Å; I70-F126 HydrophobicContact CG2-CB 4.49Å |
| 71 | F | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.6 | -44.9 | 169.2 | 172 | -105 | 0 | 0 | 0 | 111.7 | F25 N28 V68 S69 V73 G74 G75 R125 V128 G129 S132 W411 | F25-F71 HydrophobicContact CD2-CZ 4.01Å; F25-F71 HydrophobicContact CE2-CE1 4.2Å; F25-F71 HydrophobicContact CE2-CZ 4.05Å; N28-F71 HydrophobicContact CB-CE2 3.99Å; N28-F71 HydrophobicContact CB-CZ 4.35Å; V68-F71 WeakPolarHBondContact O-CB 3.37Å; S69-F71 PolarHBondContact O-N 3.22Å; F71-V73 VanDerWaalsContact C-N 3.34Å; F71-V73 PolarHBondContact O-N 3.17Å; F71-G74 PolarHBondContact O-N 3.18Å; F71-G75 PolarHBondContact O-N 3.38Å; F71-R125 WeakPolarHBondContact CA-O 3.4Å; F71-V128 HydrophobicContact CD2-CG1 3.84Å; F71-V128 HydrophobicContact CE2-CG1 4.08Å; F71-G129 VanDerWaalsContact CD2-CA 3.47Å; F71-G129 WeakPolarHBondContact O-CA 3.33Å; F71-S132 WeakPolarHBondContact CE2-OG 3.48Å; F71-W411 HydrophobicContact CD1-CZ3 4.27Å; F71-W411 HydrophobicContact CE1-CH2 4.09Å; F71-W411 AromaticContact CE1-CZ3 3.83Å; F71-W411 HydrophobicContact CE1-CZ3 3.83Å; F71-W411 HydrophobicContact CZ-CH2 4.25Å; F71-W411 HydrophobicContact CZ-CZ3 4.41Å |
| 72 | S | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.9 | -34.7 | 179.5 | -49 | 0 | 0 | 0 | 0 | 111.6 | S69 I70 G75 I76 N414 | S69-S72 WeakPolarHBondContact O-CB 3.2Å; S69-S72 PolarHBondContact O-N 2.99Å; I70-S72 VanDerWaalsContact C-N 3.29Å; I70-S72 PolarHBondContact O-N 2.86Å; S72-G75 WeakPolarHBondContact O-CA 3.14Å; S72-G75 PolarHBondContact O-N 3.27Å; S72-G75 VanDerWaalsContact O-N 3.13Å; S72-I76 WeakPolarHBondContact O-CG1 3.31Å; S72-I76 PolarHBondContact O-N 3.21Å; S72-N414 PolarHBondContact OG-OD1 3.07Å |
| 73 | V | 95.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 24 Ų | 24 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 172.3 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | S69 I70 F71 G75 I76 F77 F126 F415 | S69-V73 PolarHBondContact O-N 3.39Å; I70-V73 HydrophobicContact CD1-CB 4.14Å; I70-V73 HydrophobicContact CD1-CG1 4.45Å; I70-V73 HydrophobicContact CD1-CG2 4.21Å; I70-V73 WeakPolarHBondContact O-CB 3.47Å; I70-V73 PolarHBondContact O-N 3.24Å; F71-V73 VanDerWaalsContact C-N 3.34Å; F71-V73 PolarHBondContact O-N 3.17Å; V73-G75 VanDerWaalsContact C-N 3.29Å; V73-G75 PolarHBondContact O-N 3.01Å; V73-I76 WeakPolarHBondContact O-CB 3.41Å; V73-I76 PolarHBondContact O-N 3.02Å; V73-F77 HydrophobicContact CG1-CD2 4.09Å; V73-F77 HydrophobicContact CG1-CE2 3.72Å; V73-F77 VanDerWaalsContact O-CD2 3.23Å; V73-F77 WeakPolarHBondContact O-CD2 3.46Å; V73-F77 PolarHBondContact O-N 2.83Å; V73-F126 HydrophobicContact CG1-CE2 4.19Å; V73-F415 HydrophobicContact CG2-CD2 3.49Å; V73-F415 VanDerWaalsContact CG2-CD2 3.49Å; V73-F415 HydrophobicContact CG2-CE2 3.47Å; V73-F415 VanDerWaalsContact CG2-CE2 3.47Å; V73-F415 HydrophobicContact CG2-CG 4.27Å; V73-F415 HydrophobicContact CG2-CZ 4.24Å |
| 74 | G | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.2 | -44.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I70 F71 I76 F77 G78 G129 L130 | I70-G74 PolarHBondContact O-N 2.67Å; F71-G74 PolarHBondContact O-N 3.18Å; G74-I76 VanDerWaalsContact C-N 3.32Å; G74-I76 PolarHBondContact O-N 3.26Å; G74-F77 PolarHBondContact O-N 3.23Å; G74-G78 PolarHBondContact O-N 3.44Å; G74-G129 CarbonylContact C-O 3.55Å; G74-L130 WeakPolarHBondContact O-CA 3.37Å; G74-L130 WeakPolarHBondContact O-CD2 3.46Å |
| 75 | G | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.1 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F71 S72 V73 S79 G129 | F71-G75 PolarHBondContact O-N 3.38Å; S72-G75 WeakPolarHBondContact O-CA 3.14Å; S72-G75 PolarHBondContact O-N 3.27Å; S72-G75 VanDerWaalsContact O-N 3.13Å; V73-G75 VanDerWaalsContact C-N 3.29Å; V73-G75 PolarHBondContact O-N 3.01Å; G75-S79 VanDerWaalsContact O-CB 3.3Å; G75-S79 WeakPolarHBondContact O-CB 3.42Å; G75-S79 PolarHBondContact O-N 3.23Å; G75-S79 PolarHBondContact O-OG 3.2Å; G75-G129 VanDerWaalsContact CA-O 3.31Å; G75-G129 WeakPolarHBondContact CA-O 3.36Å; G75-G129 PolarHBondContact N-O 3.45Å |
| 76 | I | 92.7 | Very high | 91.3 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.8 | -58.9 | 172.8 | -67.6 | 170.4 | 0 | 0 | 0 | 110 | S72 V73 G74 G78 S79 F80 F408 W411 | S72-I76 WeakPolarHBondContact O-CG1 3.31Å; S72-I76 PolarHBondContact O-N 3.21Å; V73-I76 WeakPolarHBondContact O-CB 3.41Å; V73-I76 PolarHBondContact O-N 3.02Å; G74-I76 VanDerWaalsContact C-N 3.32Å; G74-I76 PolarHBondContact O-N 3.26Å; I76-G78 VanDerWaalsContact C-N 3.3Å; I76-G78 PolarHBondContact O-N 3.49Å; I76-S79 PolarHBondContact O-N 3.19Å; I76-S79 PolarHBondContact O-OG 3.14Å; I76-F80 HydrophobicContact CG2-CD2 4.38Å; I76-F80 HydrophobicContact CG2-CE2 4.49Å; I76-F80 WeakPolarHBondContact O-CD2 3.14Å; I76-F80 PolarHBondContact O-N 3.05Å; I76-F408 HydrophobicContact CG2-CD2 3.8Å; I76-F408 HydrophobicContact CG2-CE2 3.81Å; I76-W411 HydrophobicContact CB-CB 4.42Å; I76-W411 HydrophobicContact CG1-CB 3.48Å; I76-W411 VanDerWaalsContact CG1-CB 3.48Å |
| 77 | F | 93.6 | Very high | 90.9 | Very high | 117 Ų | 117 | 33 Ų | 33 | 51% | 0.513 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.2 | -36.4 | -177 | -70.2 | -68.7 | 0 | 0 | 0 | 112.5 | V73 G74 S81 F126 L130 | V73-F77 HydrophobicContact CG1-CD2 4.09Å; V73-F77 HydrophobicContact CG1-CE2 3.72Å; V73-F77 VanDerWaalsContact O-CD2 3.23Å; V73-F77 WeakPolarHBondContact O-CD2 3.46Å; V73-F77 PolarHBondContact O-N 2.83Å; G74-F77 PolarHBondContact O-N 3.23Å; F77-S81 WeakPolarHBondContact O-CB 3.38Å; F77-S81 PolarHBondContact O-N 3.18Å; F77-S81 PolarHBondContact O-OG 2.88Å; F77-F126 HydrophobicContact CD2-CE2 4.14Å; F77-F126 HydrophobicContact CD2-CZ 4.38Å; F77-L130 HydrophobicContact CB-CD2 3.54Å |
| 78 | G | 92.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -51.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G74 I76 F80 S81 V82 L134 | G74-G78 PolarHBondContact O-N 3.44Å; I76-G78 VanDerWaalsContact C-N 3.3Å; I76-G78 PolarHBondContact O-N 3.49Å; G78-F80 PolarHBondContact O-N 3.06Å; G78-S81 PolarHBondContact O-N 3.47Å; G78-S81 VanDerWaalsContact O-N 3.11Å; G78-V82 PolarHBondContact O-N 2.6Å; G78-L134 WeakPolarHBondContact O-CD2 3.47Å |
| 79 | S | 87.9 | Confident | 90.4 | Very high | 17 Ų | 17 | 44 Ų | 44 | 12% | 0.119 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -37.1 | -177.2 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | G75 I76 S81 V82 | G75-S79 VanDerWaalsContact O-CB 3.3Å; G75-S79 WeakPolarHBondContact O-CB 3.42Å; G75-S79 PolarHBondContact O-N 3.23Å; G75-S79 PolarHBondContact O-OG 3.2Å; I76-S79 PolarHBondContact O-N 3.19Å; I76-S79 PolarHBondContact O-OG 3.14Å; S79-S81 VanDerWaalsContact C-N 3.29Å; S79-S81 PolarHBondContact O-N 3.36Å; S79-V82 WeakPolarHBondContact O-CB 3.36Å; S79-V82 VanDerWaalsContact O-CG2 3.29Å; S79-V82 WeakPolarHBondContact O-CG2 3.23Å; S79-V82 PolarHBondContact O-N 3.3Å |
| 80 | F | 86.6 | Confident | 90.3 | Very high | 89 Ų | 89 | 43.8 Ų | 43.8 | 39% | 0.39 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.5 | -34.7 | 172.7 | -91.3 | -96.1 | 0 | 0 | 0 | 113.4 | I76 G78 V82 I258 F408 | I76-F80 HydrophobicContact CG2-CD2 4.38Å; I76-F80 HydrophobicContact CG2-CE2 4.49Å; I76-F80 WeakPolarHBondContact O-CD2 3.14Å; I76-F80 PolarHBondContact O-N 3.05Å; G78-F80 PolarHBondContact O-N 3.06Å; F80-V82 VanDerWaalsContact C-N 3.25Å; F80-V82 PolarHBondContact O-N 3.09Å; F80-I258 HydrophobicContact CE1-CD1 4.39Å; F80-F408 HydrophobicContact CD2-CB 4.49Å; F80-F408 HydrophobicContact CD2-CD2 4.26Å; F80-F408 HydrophobicContact CE2-CB 3.26Å; F80-F408 AromaticContact CE2-CD2 3.2Å; F80-F408 HydrophobicContact CE2-CD2 3.2Å; F80-F408 HydrophobicContact CE2-CE2 4.16Å; F80-F408 AromaticContact CE2-CG 3.41Å; F80-F408 HydrophobicContact CE2-CG 3.41Å; F80-F408 VanDerWaalsContact CE2-CG 3.41Å; F80-F408 HydrophobicContact CZ-CB 3.45Å; F80-F408 VanDerWaalsContact CZ-CB 3.45Å; F80-F408 HydrophobicContact CZ-CD1 4.33Å; F80-F408 AromaticContact CZ-CD2 3.66Å; F80-F408 HydrophobicContact CZ-CD2 3.66Å; F80-F408 HydrophobicContact CZ-CE2 4.45Å; F80-F408 AromaticContact CZ-CG 3.52Å; F80-F408 HydrophobicContact CZ-CG 3.52Å |
| 81 | S | 89.1 | Confident | 90 | Very high | 50 Ų | 50 | 42.7 Ų | 42.7 | 35% | 0.35 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -78.8 | -10.6 | -175.2 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | F77 G78 S79 G83 F84 F85 | F77-S81 WeakPolarHBondContact O-CB 3.38Å; F77-S81 PolarHBondContact O-N 3.18Å; F77-S81 PolarHBondContact O-OG 2.88Å; G78-S81 PolarHBondContact O-N 3.47Å; G78-S81 VanDerWaalsContact O-N 3.11Å; S79-S81 VanDerWaalsContact C-N 3.29Å; S79-S81 PolarHBondContact O-N 3.36Å; S81-G83 VanDerWaalsContact C-N 3.31Å; S81-G83 PolarHBondContact O-N 3.21Å; S81-F84 WeakPolarHBondContact O-CB 3.2Å; S81-F84 PolarHBondContact O-N 3.34Å; S81-F85 VanDerWaalsContact O-CD2 3.31Å; S81-F85 WeakPolarHBondContact O-CD2 3.28Å; S81-F85 PolarHBondContact O-N 3.34Å |
| 82 | V | 87 | Confident | 90 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -48.7 | -50.3 | -177.5 | 167.5 | 0 | 0 | 0 | 0 | 112.2 | G78 S79 F80 F84 F85 V86 L134 F138 M141 | G78-V82 PolarHBondContact O-N 2.6Å; S79-V82 WeakPolarHBondContact O-CB 3.36Å; S79-V82 VanDerWaalsContact O-CG2 3.29Å; S79-V82 WeakPolarHBondContact O-CG2 3.23Å; S79-V82 PolarHBondContact O-N 3.3Å; F80-V82 VanDerWaalsContact C-N 3.25Å; F80-V82 PolarHBondContact O-N 3.09Å; V82-F84 PolarHBondContact O-N 3.2Å; V82-F85 PolarHBondContact O-N 3.42Å; V82-V86 HydrophobicContact CG1-CG1 4.12Å; V82-V86 WeakPolarHBondContact O-CG2 3.31Å; V82-V86 PolarHBondContact O-N 3.38Å; V82-V86 VanDerWaalsContact O-N 3.08Å; V82-L134 HydrophobicContact CG2-CD2 4.24Å; V82-F138 HydrophobicContact CB-CE1 4.19Å; V82-F138 HydrophobicContact CG1-CD1 3.93Å; V82-F138 HydrophobicContact CG1-CE1 3.94Å; V82-F138 HydrophobicContact CG2-CD1 4.36Å; V82-F138 HydrophobicContact CG2-CE1 4.17Å; V82-M141 HydrophobicContact CG1-CE 4.48Å |
| 83 | G | 82 | Confident | 90.1 | Very high | 36 Ų | 36 | 48 Ų | 48 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.8 | -30.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S81 N87 | S81-G83 VanDerWaalsContact C-N 3.31Å; S81-G83 PolarHBondContact O-N 3.21Å; G83-N87 WeakPolarHBondContact O-CB 3.44Å; G83-N87 PolarHBondContact O-ND2 3.15Å |
| 84 | F | 86.4 | Confident | 90.1 | Very high | 126 Ų | 126 | 46.5 Ų | 46.5 | 55% | 0.553 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -68.5 | -46.3 | 178.2 | 176.4 | -98.5 | 0 | 0 | 0 | 111.4 | S81 V82 R88 | S81-F84 WeakPolarHBondContact O-CB 3.2Å; S81-F84 PolarHBondContact O-N 3.34Å; V82-F84 PolarHBondContact O-N 3.2Å; F84-R88 WeakPolarHBondContact O-CB 3.44Å; F84-R88 PolarHBondContact O-N 3.27Å |
| 85 | F | 89.6 | Confident | 90.1 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 25% | 0.25 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.8 | -52.3 | -178.1 | -70 | -87 | 0 | 0 | 0 | 111.8 | S81 V82 N87 R88 L89 S94 L134 F138 | S81-F85 VanDerWaalsContact O-CD2 3.31Å; S81-F85 WeakPolarHBondContact O-CD2 3.28Å; S81-F85 PolarHBondContact O-N 3.34Å; V82-F85 PolarHBondContact O-N 3.42Å; F85-N87 VanDerWaalsContact C-N 3.28Å; F85-N87 PolarHBondContact O-N 3.16Å; F85-R88 PolarHBondContact O-N 3.14Å; F85-L89 HydrophobicContact CB-CD1 4.44Å; F85-L89 HydrophobicContact CD1-CD1 3.69Å; F85-L89 WeakPolarHBondContact O-CB 3.31Å; F85-L89 PolarHBondContact O-N 2.88Å; F85-S94 PolarHBondContact O-OG 3.15Å; F85-S94 VanDerWaalsContact O-OG 3.13Å; F85-L134 HydrophobicContact CD2-CD2 3.88Å; F85-L134 HydrophobicContact CE2-CD2 4.16Å; F85-F138 HydrophobicContact CB-CE1 4.1Å; F85-F138 HydrophobicContact CB-CZ 3.72Å; F85-F138 HydrophobicContact CD2-CZ 4.47Å; F85-F138 HydrophobicContact CG-CZ 4.22Å |
| 86 | V | 85.2 | Confident | 90.3 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -30.4 | -171.4 | -60.6 | 0 | 0 | 0 | 0 | 113.9 | V82 G90 R91 S94 F138 M141 | V82-V86 HydrophobicContact CG1-CG1 4.12Å; V82-V86 WeakPolarHBondContact O-CG2 3.31Å; V82-V86 PolarHBondContact O-N 3.38Å; V82-V86 VanDerWaalsContact O-N 3.08Å; V86-G90 WeakPolarHBondContact O-CA 3.45Å; V86-G90 PolarHBondContact O-N 3.1Å; V86-R91 HydrophobicContact CB-CG 4.49Å; V86-R91 PolarHBondContact O-NH1 3.05Å; V86-S94 PolarHBondContact N-OG 3.11Å; V86-F138 HydrophobicContact CG1-CD1 3.37Å; V86-F138 HydrophobicContact CG1-CE1 3.43Å; V86-F138 VanDerWaalsContact CG1-CE1 3.43Å; V86-F138 HydrophobicContact CG1-CG 4.46Å; V86-M141 HydrophobicContact CB-SD 3.93Å; V86-M141 HydrophobicContact CG1-SD 3.99Å; V86-M141 HydrophobicContact CG2-CE 4.12Å; V86-M141 HydrophobicContact CG2-SD 3.81Å |
| 87 | N | 83.9 | Confident | 90.5 | Very high | 86 Ų | 86 | 51.7 Ų | 51.7 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -84 | -29.7 | -179.8 | -70.8 | -47.7 | 0 | 0 | 0 | 112.7 | G83 F85 | G83-N87 WeakPolarHBondContact O-CB 3.44Å; G83-N87 PolarHBondContact O-ND2 3.15Å; F85-N87 VanDerWaalsContact C-N 3.28Å; F85-N87 PolarHBondContact O-N 3.16Å |
| 88 | R | 86.9 | Confident | 90.6 | Very high | 172 Ų | 172 | 46.4 Ų | 46.4 | 65% | 0.649 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -87.5 | -44.7 | -178.4 | -170.9 | 172.1 | -178.8 | 158.6 | 0 | 112.2 | F84 F85 | F84-R88 WeakPolarHBondContact O-CB 3.44Å; F84-R88 PolarHBondContact O-N 3.27Å; F85-R88 PolarHBondContact O-N 3.14Å |
| 89 | L | 90.8 | Very high | 90.9 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -21.8 | -169.9 | -59.7 | 166.8 | 0 | 0 | 0 | 113.2 | F85 N93 I97 | F85-L89 HydrophobicContact CB-CD1 4.44Å; F85-L89 HydrophobicContact CD1-CD1 3.69Å; F85-L89 WeakPolarHBondContact O-CB 3.31Å; F85-L89 PolarHBondContact O-N 2.88Å; L89-N93 HydrophobicContact CB-CB 4.37Å; L89-N93 WeakPolarHBondContact O-CB 3.02Å; L89-N93 PolarHBondContact O-ND2 3.43Å; L89-I97 HydrophobicContact CD1-CD1 3.76Å; L89-I97 HydrophobicContact CD2-CD1 4.33Å |
| 90 | G | 90.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | 95 | 167.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V86 S94 F212 | V86-G90 WeakPolarHBondContact O-CA 3.45Å; V86-G90 PolarHBondContact O-N 3.1Å; G90-S94 VanDerWaalsContact O-CB 3.24Å; G90-S94 WeakPolarHBondContact O-CB 3.44Å; G90-S94 PolarHBondContact O-N 3.26Å; G90-S94 PolarHBondContact O-OG 3.45Å; G90-F212 VanDerWaalsContact N-CZ 3.33Å | ||
| 91 | R | 91 | Very high | 91.9 | Very high | 14 Ų | 14 | 48 Ų | 48 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -77.7 | -49 | -171.5 | -75.6 | 60.5 | 163.5 | 153.9 | -6.4 | 110.3 | V86 S94 M95 M141 Y142 E145 E208 | V86-R91 HydrophobicContact CB-CG 4.49Å; V86-R91 PolarHBondContact O-NH1 3.05Å; R91-S94 PolarHBondContact O-N 2.87Å; R91-M95 PolarHBondContact O-N 3.31Å; R91-M141 HydrophobicContact CG-CG 4.12Å; R91-M141 HydrophobicContact CG-SD 4Å; R91-Y142 HydrophobicContact CB-CD2 3.76Å; R91-Y142 HydrophobicContact CB-CG 4.44Å; R91-E145 WeakPolarHBondContact CD-OE2 3.48Å; R91-E145 IonicContact CZ-OE1 2.79Å; R91-E145 IonicContact CZ-OE2 3.11Å; R91-E145 VanDerWaalsContact NE-CD 3.35Å; R91-E145 IonicContact NE-OE1 2.53Å; R91-E145 PolarHBondContact NE-OE1 3.11Å; R91-E145 VanDerWaalsContact NE-OE1 3.11Å; R91-E145 IonicContact NE-OE2 2.91Å; R91-E145 PolarHBondContact NE-OE2 3.12Å; R91-E145 IonicContact NH2-OE1 2.97Å; R91-E145 PolarHBondContact NH2-OE1 3.46Å; R91-E145 IonicContact NH2-OE2 3.68Å; R91-E208 PolarHBondContact N-OE1 3.44Å |
| 92 | R | 95.9 | Very high | 92.3 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 177.7 | -178.6 | -158.5 | 71.6 | 172.2 | 2.7 | 111.9 | S94 M95 L96 Y142 L203 C206 E208 | R92-S94 VanDerWaalsContact C-N 3.28Å; R92-S94 PolarHBondContact O-N 3.31Å; R92-M95 PolarHBondContact O-N 2.9Å; R92-L96 PolarHBondContact O-N 2.89Å; R92-L96 VanDerWaalsContact O-N 3.09Å; R92-Y142 HydrophobicContact CB-CE2 4.08Å; R92-L203 VanDerWaalsContact CD-O 3.31Å; R92-L203 WeakPolarHBondContact CD-O 3.37Å; R92-L203 HydrophobicContact CG-CD2 4.14Å; R92-C206 WeakPolarHBondContact CD-O 3.36Å; R92-C206 PolarHBondContact NH1-O 2.96Å; R92-C206 VanDerWaalsContact NH1-O 3.1Å; R92-E208 WeakPolarHBondContact CB-OE1 3.21Å; R92-E208 WeakPolarHBondContact CB-OE2 3.42Å; R92-E208 PolarHBondContact N-OE1 3.42Å; R92-E208 PolarHBondContact N-OE2 3.29Å |
| 93 | N | 95.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 48 Ų | 48 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67 | -32.1 | -178.6 | -60.8 | -25.2 | 0 | 0 | 0 | 112 | L89 L96 I97 E208 | L89-N93 HydrophobicContact CB-CB 4.37Å; L89-N93 WeakPolarHBondContact O-CB 3.02Å; L89-N93 PolarHBondContact O-ND2 3.43Å; N93-L96 PolarHBondContact O-N 3.29Å; N93-I97 PolarHBondContact O-N 3.16Å; N93-E208 PolarHBondContact N-OE2 3.37Å |
| 94 | S | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.6 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | F85 V86 G90 R91 R92 L96 I97 A98 F138 | F85-S94 PolarHBondContact O-OG 3.15Å; F85-S94 VanDerWaalsContact O-OG 3.13Å; V86-S94 PolarHBondContact N-OG 3.11Å; G90-S94 VanDerWaalsContact O-CB 3.24Å; G90-S94 WeakPolarHBondContact O-CB 3.44Å; G90-S94 PolarHBondContact O-N 3.26Å; G90-S94 PolarHBondContact O-OG 3.45Å; R91-S94 PolarHBondContact O-N 2.87Å; R92-S94 VanDerWaalsContact C-N 3.28Å; R92-S94 PolarHBondContact O-N 3.31Å; S94-L96 VanDerWaalsContact C-N 3.32Å; S94-L96 PolarHBondContact O-N 3.24Å; S94-I97 PolarHBondContact O-N 3.32Å; S94-A98 WeakPolarHBondContact O-CB 3.39Å; S94-A98 PolarHBondContact O-N 2.94Å; S94-F138 WeakPolarHBondContact O-CE2 3.5Å |
| 95 | M | 96.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -41.3 | 173.4 | -67 | -175.8 | -69.9 | 0 | 0 | 111.8 | A18 R91 R92 A98 N99 F138 V139 Y142 L203 | A18-M95 HydrophobicContact CB-CE 4.34Å; A18-M95 HydrophobicContact CB-SD 4.12Å; R91-M95 PolarHBondContact O-N 3.31Å; R92-M95 PolarHBondContact O-N 2.9Å; M95-A98 PolarHBondContact O-N 3.21Å; M95-N99 PolarHBondContact O-N 3.39Å; M95-F138 HydrophobicContact CG-CB 3.64Å; M95-F138 HydrophobicContact CG-CD2 3.96Å; M95-F138 HydrophobicContact CG-CG 4.19Å; M95-F138 HydrophobicContact SD-CB 4.32Å; M95-V139 HydrophobicContact SD-CG2 4.44Å; M95-Y142 HydrophobicContact CE-CD1 3.74Å; M95-Y142 HydrophobicContact CE-CD2 3.85Å; M95-Y142 HydrophobicContact CE-CE1 4.21Å; M95-Y142 HydrophobicContact CE-CE2 4.32Å; M95-Y142 HydrophobicContact CE-CG 3.52Å; M95-L203 HydrophobicContact CB-CD1 3.77Å; M95-L203 HydrophobicContact CB-CD2 4.31Å; M95-L203 HydrophobicContact CE-CD2 3.83Å |
| 96 | L | 97.4 | Very high | 94.5 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 29% | 0.293 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.9 | -44.4 | -179.9 | -177.1 | 61.7 | 0 | 0 | 0 | 112 | R92 N93 S94 A98 N99 L203 P204 | R92-L96 PolarHBondContact O-N 2.89Å; R92-L96 VanDerWaalsContact O-N 3.09Å; N93-L96 PolarHBondContact O-N 3.29Å; S94-L96 VanDerWaalsContact C-N 3.32Å; S94-L96 PolarHBondContact O-N 3.24Å; L96-A98 VanDerWaalsContact C-N 3.34Å; L96-N99 WeakPolarHBondContact O-CB 3.35Å; L96-N99 PolarHBondContact O-N 2.92Å; L96-L203 HydrophobicContact CB-CD1 3.94Å; L96-L203 HydrophobicContact CD1-CB 4.29Å; L96-L203 HydrophobicContact CD1-CD1 4.29Å; L96-P204 HydrophobicContact CD2-CG 4.37Å |
| 97 | I | 96.8 | Very high | 95.2 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68 | -35.7 | 177.8 | -72.6 | 163.1 | 0 | 0 | 0 | 111.1 | L89 N93 S94 N99 I100 | L89-I97 HydrophobicContact CD1-CD1 3.76Å; L89-I97 HydrophobicContact CD2-CD1 4.33Å; N93-I97 PolarHBondContact O-N 3.16Å; S94-I97 PolarHBondContact O-N 3.32Å; I97-N99 PolarHBondContact O-N 2.88Å; I97-I100 HydrophobicContact CG2-CD1 4.49Å; I97-I100 VanDerWaalsContact O-CB 3.3Å; I97-I100 WeakPolarHBondContact O-CB 3.43Å; I97-I100 WeakPolarHBondContact O-CG1 3.3Å; I97-I100 PolarHBondContact O-N 3.44Å; I97-I100 VanDerWaalsContact O-N 3.07Å |
| 98 | A | 96.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 5% | 0.05 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -28.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S94 M95 L96 I100 L101 A102 Y131 L134 F138 | S94-A98 WeakPolarHBondContact O-CB 3.39Å; S94-A98 PolarHBondContact O-N 2.94Å; M95-A98 PolarHBondContact O-N 3.21Å; L96-A98 VanDerWaalsContact C-N 3.34Å; A98-I100 PolarHBondContact O-N 3.42Å; A98-I100 VanDerWaalsContact O-N 3.1Å; A98-L101 VanDerWaalsContact O-CB 3.3Å; A98-L101 WeakPolarHBondContact O-CB 3.35Å; A98-L101 PolarHBondContact O-N 3.37Å; A98-A102 PolarHBondContact O-N 3.27Å; A98-Y131 HydrophobicContact CB-CD2 4.05Å; A98-Y131 HydrophobicContact CB-CE2 4.22Å; A98-Y131 VanDerWaalsContact O-CD2 3.32Å; A98-Y131 WeakPolarHBondContact O-CD2 3.28Å; A98-L134 HydrophobicContact CB-CD1 4.49Å; A98-F138 HydrophobicContact CB-CD2 4.49Å; A98-F138 HydrophobicContact CB-CE2 4Å |
| 99 | N | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.4 | -20.5 | 175.5 | -72.7 | -20.4 | 0 | 0 | 0 | 113.5 | M95 L96 I97 L101 A102 F103 Y131 Q199 S200 | M95-N99 PolarHBondContact O-N 3.39Å; L96-N99 WeakPolarHBondContact O-CB 3.35Å; L96-N99 PolarHBondContact O-N 2.92Å; I97-N99 PolarHBondContact O-N 2.88Å; N99-L101 VanDerWaalsContact C-N 3.28Å; N99-L101 PolarHBondContact O-N 2.91Å; N99-A102 WeakPolarHBondContact O-CB 3.33Å; N99-A102 PolarHBondContact O-N 3.3Å; N99-A102 VanDerWaalsContact O-N 3.16Å; N99-F103 HydrophobicContact CB-CE2 4.25Å; N99-F103 WeakPolarHBondContact O-CD2 3.22Å; N99-F103 WeakPolarHBondContact O-CG 3.39Å; N99-F103 PolarHBondContact O-N 3.09Å; N99-Y131 WeakPolarHBondContact OD1-CE2 3.38Å; N99-Q199 PolarHBondContact OD1-OE1 3.3Å; N99-Q199 VanDerWaalsContact OD1-OE1 3.05Å; N99-S200 WeakPolarHBondContact CB-OG 3.47Å; N99-S200 PolarHBondContact ND2-OG 3.04Å |
| 100 | I | 97.8 | Very high | 96.6 | Very high | 94 Ų | 94 | 31.5 Ų | 31.5 | 48% | 0.482 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 170.6 | -61.3 | 173.6 | 0 | 0 | 0 | 110.4 | I97 A98 A102 F103 I104 | I97-I100 HydrophobicContact CG2-CD1 4.49Å; I97-I100 VanDerWaalsContact O-CB 3.3Å; I97-I100 WeakPolarHBondContact O-CB 3.43Å; I97-I100 WeakPolarHBondContact O-CG1 3.3Å; I97-I100 PolarHBondContact O-N 3.44Å; I97-I100 VanDerWaalsContact O-N 3.07Å; A98-I100 PolarHBondContact O-N 3.42Å; A98-I100 VanDerWaalsContact O-N 3.1Å; I100-A102 VanDerWaalsContact C-N 3.31Å; I100-A102 PolarHBondContact O-N 3.01Å; I100-F103 PolarHBondContact O-N 3.18Å; I100-I104 HydrophobicContact CG2-CD1 3.95Å; I100-I104 VanDerWaalsContact O-CG1 3.29Å; I100-I104 WeakPolarHBondContact O-CG1 3.47Å; I100-I104 PolarHBondContact O-N 2.5Å |
| 101 | L | 98.1 | Very high | 96.9 | Very high | 47 Ų | 47 | 37 Ų | 37 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 175.8 | -59.6 | 175.7 | 0 | 0 | 0 | 111.1 | A98 N99 I104 A105 V127 L130 L134 | A98-L101 VanDerWaalsContact O-CB 3.3Å; A98-L101 WeakPolarHBondContact O-CB 3.35Å; A98-L101 PolarHBondContact O-N 3.37Å; N99-L101 VanDerWaalsContact C-N 3.28Å; N99-L101 PolarHBondContact O-N 2.91Å; L101-I104 PolarHBondContact O-N 3.16Å; L101-A105 WeakPolarHBondContact O-CB 2.91Å; L101-A105 PolarHBondContact O-N 3.43Å; L101-V127 HydrophobicContact CB-CG1 4.08Å; L101-V127 HydrophobicContact CD2-CG1 4.27Å; L101-V127 VanDerWaalsContact O-CG1 3.3Å; L101-V127 WeakPolarHBondContact O-CG1 3.46Å; L101-L130 HydrophobicContact CD1-CB 4.18Å; L101-L134 HydrophobicContact CD1-CD1 3.75Å |
| 102 | A | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A98 N99 I100 I104 A105 A106 Y131 L192 S196 | A98-A102 PolarHBondContact O-N 3.27Å; N99-A102 WeakPolarHBondContact O-CB 3.33Å; N99-A102 PolarHBondContact O-N 3.3Å; N99-A102 VanDerWaalsContact O-N 3.16Å; I100-A102 VanDerWaalsContact C-N 3.31Å; I100-A102 PolarHBondContact O-N 3.01Å; A102-I104 PolarHBondContact O-N 3.49Å; A102-A105 PolarHBondContact O-N 2.96Å; A102-A106 WeakPolarHBondContact O-CB 3.13Å; A102-A106 PolarHBondContact O-N 3.48Å; A102-Y131 HydrophobicContact CB-CD1 4.5Å; A102-Y131 HydrophobicContact CB-CD2 3.93Å; A102-Y131 HydrophobicContact CB-CE2 4.03Å; A102-Y131 HydrophobicContact CB-CG 4.16Å; A102-L192 HydrophobicContact CB-CD1 3.8Å; A102-L192 WeakPolarHBondContact O-CD1 3.16Å; A102-S196 WeakPolarHBondContact CB-OG 3.47Å |
| 103 | F | 98.3 | Very high | 97.2 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 28% | 0.281 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62 | -43.5 | 175 | -64.8 | -46.2 | 0 | 0 | 0 | 113 | N99 I100 A105 A106 A107 F193 S196 V197 | N99-F103 HydrophobicContact CB-CE2 4.25Å; N99-F103 WeakPolarHBondContact O-CD2 3.22Å; N99-F103 WeakPolarHBondContact O-CG 3.39Å; N99-F103 PolarHBondContact O-N 3.09Å; I100-F103 PolarHBondContact O-N 3.18Å; F103-A105 VanDerWaalsContact C-N 3.35Å; F103-A106 PolarHBondContact O-N 2.87Å; F103-A107 PolarHBondContact O-N 3.39Å; F103-F193 AromaticContact CD1-CD2 3.56Å; F103-F193 HydrophobicContact CD1-CD2 3.56Å; F103-F193 AromaticContact CD1-CE2 3.77Å; F103-F193 HydrophobicContact CD1-CE2 3.77Å; F103-F193 AromaticContact CE1-CD2 3.91Å; F103-F193 HydrophobicContact CE1-CD2 3.91Å; F103-F193 AromaticContact CE1-CE2 3.93Å; F103-F193 HydrophobicContact CE1-CE2 3.93Å; F103-S196 VanDerWaalsContact CE1-CB 3.48Å; F103-V197 HydrophobicContact CE1-CG2 3.66Å; F103-V197 HydrophobicContact CZ-CG2 4.03Å |
| 104 | I | 98.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 41.9 Ų | 41.9 | 40% | 0.4 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 176.1 | -67.9 | 166.3 | 0 | 0 | 0 | 110.2 | I100 L101 A102 A107 L108 V127 | I100-I104 HydrophobicContact CG2-CD1 3.95Å; I100-I104 VanDerWaalsContact O-CG1 3.29Å; I100-I104 WeakPolarHBondContact O-CG1 3.47Å; I100-I104 PolarHBondContact O-N 2.5Å; L101-I104 PolarHBondContact O-N 3.16Å; A102-I104 PolarHBondContact O-N 3.49Å; I104-A107 PolarHBondContact O-N 3.26Å; I104-L108 HydrophobicContact CG2-CD1 3.83Å; I104-L108 HydrophobicContact CG2-CG 4.34Å; I104-L108 WeakPolarHBondContact O-CB 3.36Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.42Å; I104-L108 PolarHBondContact O-N 2.8Å; I104-V127 HydrophobicContact CB-CG1 4.3Å; I104-V127 HydrophobicContact CG2-CG1 4.13Å |
| 105 | A | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L101 A102 F103 A107 L108 M109 G124 V127 V128 | L101-A105 WeakPolarHBondContact O-CB 2.91Å; L101-A105 PolarHBondContact O-N 3.43Å; A102-A105 PolarHBondContact O-N 2.96Å; F103-A105 VanDerWaalsContact C-N 3.35Å; A105-A107 VanDerWaalsContact C-N 3.32Å; A105-A107 PolarHBondContact O-N 2.79Å; A105-L108 PolarHBondContact O-N 3.11Å; A105-M109 HydrophobicContact CB-CE 4.25Å; A105-M109 WeakPolarHBondContact O-CB 3.22Å; A105-M109 WeakPolarHBondContact O-CG 3.36Å; A105-M109 PolarHBondContact O-N 2.84Å; A105-G124 WeakPolarHBondContact CB-O 3.27Å; A105-V127 HydrophobicContact CB-CB 4.12Å; A105-V127 HydrophobicContact CB-CG1 4.02Å; A105-V128 HydrophobicContact CB-CB 3.66Å; A105-V128 HydrophobicContact CB-CG2 4.37Å |
| 106 | A | 97.8 | Very high | 97 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 5% | 0.05 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A102 F103 G110 L192 F193 | A102-A106 WeakPolarHBondContact O-CB 3.13Å; A102-A106 PolarHBondContact O-N 3.48Å; F103-A106 PolarHBondContact O-N 2.87Å; A106-G110 WeakPolarHBondContact O-CA 3.43Å; A106-G110 PolarHBondContact O-N 3.37Å; A106-L192 HydrophobicContact CB-CD1 3.93Å; A106-L192 HydrophobicContact CB-CD2 4.34Å; A106-L192 HydrophobicContact CB-CG 3.85Å; A106-F193 HydrophobicContact CB-CB 3.97Å |
| 107 | A | 98 | Very high | 96.9 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 37% | 0.372 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.5 | -48.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F103 I104 A105 M109 G110 F111 | F103-A107 PolarHBondContact O-N 3.39Å; I104-A107 PolarHBondContact O-N 3.26Å; A105-A107 VanDerWaalsContact C-N 3.32Å; A105-A107 PolarHBondContact O-N 2.79Å; A107-M109 PolarHBondContact O-N 3.4Å; A107-G110 PolarHBondContact O-N 3.46Å; A107-F111 HydrophobicContact CB-CD2 4.27Å; A107-F111 HydrophobicContact CB-CE2 4.48Å; A107-F111 WeakPolarHBondContact O-CB 3.16Å; A107-F111 VanDerWaalsContact O-CD2 3.22Å; A107-F111 WeakPolarHBondContact O-CD2 3.36Å; A107-F111 PolarHBondContact O-N 3.37Å |
| 108 | L | 98.1 | Very high | 96.9 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 20% | 0.204 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 179.9 | -73.1 | 173.2 | 0 | 0 | 0 | 112.3 | I104 A105 S112 M120 I123 V127 | I104-L108 HydrophobicContact CG2-CD1 3.83Å; I104-L108 HydrophobicContact CG2-CG 4.34Å; I104-L108 WeakPolarHBondContact O-CB 3.36Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.42Å; I104-L108 PolarHBondContact O-N 2.8Å; A105-L108 PolarHBondContact O-N 3.11Å; L108-S112 WeakPolarHBondContact O-CB 3.24Å; L108-S112 PolarHBondContact O-N 2.87Å; L108-M120 HydrophobicContact CD2-CE 4.27Å; L108-I123 HydrophobicContact CD1-CB 4.38Å; L108-I123 HydrophobicContact CD1-CG2 3.77Å; L108-V127 HydrophobicContact CD1-CG2 4.38Å |
| 109 | M | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.9 | -42.3 | 179.4 | -62.9 | -172.8 | -68.8 | 0 | 0 | 112 | A105 A107 F111 S112 L121 R125 V128 L189 L192 | A105-M109 HydrophobicContact CB-CE 4.25Å; A105-M109 WeakPolarHBondContact O-CB 3.22Å; A105-M109 WeakPolarHBondContact O-CG 3.36Å; A105-M109 PolarHBondContact O-N 2.84Å; A107-M109 PolarHBondContact O-N 3.4Å; M109-F111 PolarHBondContact O-N 2.99Å; M109-S112 WeakPolarHBondContact O-CB 3.48Å; M109-S112 PolarHBondContact O-N 2.88Å; M109-S112 PolarHBondContact O-OG 2.98Å; M109-L121 HydrophobicContact CB-CD1 4.46Å; M109-L121 HydrophobicContact CG-CD1 4.19Å; M109-R125 HydrophobicContact SD-CG 4.04Å; M109-V128 HydrophobicContact CE-CB 4.32Å; M109-V128 HydrophobicContact CE-CG1 4.13Å; M109-L189 HydrophobicContact CB-CB 3.82Å; M109-L189 HydrophobicContact CB-CD1 4.29Å; M109-L189 HydrophobicContact SD-CB 4.36Å; M109-L192 HydrophobicContact CE-CD2 3.36Å |
| 110 | G | 96.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 24% | 0.237 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -33.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A106 A107 P186 | A106-G110 WeakPolarHBondContact O-CA 3.43Å; A106-G110 PolarHBondContact O-N 3.37Å; A107-G110 PolarHBondContact O-N 3.46Å; G110-P186 WeakPolarHBondContact CA-O 3.42Å; G110-P186 VanDerWaalsContact O-CB 3.23Å; G110-P186 WeakPolarHBondContact O-CB 3.36Å |
| 111 | F | 97 | Very high | 96.9 | Very high | 116 Ų | 116 | 42.9 Ų | 42.9 | 51% | 0.509 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 0.4 | 177.2 | -64.7 | -68.7 | 0 | 0 | 0 | 113.8 | A107 M109 K113 M114 A115 M120 | A107-F111 HydrophobicContact CB-CD2 4.27Å; A107-F111 HydrophobicContact CB-CE2 4.48Å; A107-F111 WeakPolarHBondContact O-CB 3.16Å; A107-F111 VanDerWaalsContact O-CD2 3.22Å; A107-F111 WeakPolarHBondContact O-CD2 3.36Å; A107-F111 PolarHBondContact O-N 3.37Å; M109-F111 PolarHBondContact O-N 2.99Å; F111-K113 VanDerWaalsContact C-N 3.31Å; F111-K113 PolarHBondContact O-N 3.1Å; F111-M114 HydrophobicContact CD1-CE 3.55Å; F111-M114 HydrophobicContact CD1-SD 4.31Å; F111-M114 HydrophobicContact CE1-CE 4.16Å; F111-M114 HydrophobicContact CG-CE 4.36Å; F111-M114 PolarHBondContact O-N 3.13Å; F111-M114 VanDerWaalsContact O-N 3.17Å; F111-A115 PolarHBondContact O-N 3.42Å; F111-M120 HydrophobicContact CB-CE 4.33Å |
| 112 | S | 96.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -40.4 | -178 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | L108 M109 S116 S117 W185 | L108-S112 WeakPolarHBondContact O-CB 3.24Å; L108-S112 PolarHBondContact O-N 2.87Å; M109-S112 WeakPolarHBondContact O-CB 3.48Å; M109-S112 PolarHBondContact O-N 2.88Å; M109-S112 PolarHBondContact O-OG 2.98Å; S112-S116 PolarHBondContact O-N 2.9Å; S112-S117 PolarHBondContact O-N 3.47Å; S112-W185 WeakPolarHBondContact OG-CH2 3.38Å |
| 113 | K | 95.5 | Very high | 96.9 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -44.4 | 176.7 | -172.1 | -176.1 | 178.1 | -172.3 | 0 | 112.3 | F42 F111 A115 S116 A182 W185 P186 | F42-K113 HydrophobicContact CD2-CG 4.22Å; F42-K113 HydrophobicContact CE2-CB 4.31Å; F42-K113 HydrophobicContact CE2-CG 4.23Å; F111-K113 VanDerWaalsContact C-N 3.31Å; F111-K113 PolarHBondContact O-N 3.1Å; K113-A115 VanDerWaalsContact C-N 3.26Å; K113-A115 PolarHBondContact O-N 2.97Å; K113-S116 PolarHBondContact O-N 2.96Å; K113-A182 PolarHBondContact NZ-O 3.43Å; K113-W185 HydrophobicContact CB-CH2 4.38Å; K113-W185 HydrophobicContact CB-CZ2 3.79Å; K113-W185 HydrophobicContact CD-CZ2 4.33Å; K113-W185 HydrophobicContact CG-CZ2 4.17Å; K113-P186 HydrophobicContact CB-CB 4.38Å; K113-P186 HydrophobicContact CB-CG 3.59Å; K113-P186 HydrophobicContact CD-CG 3.7Å; K113-P186 HydrophobicContact CG-CG 4.27Å |
| 114 | M | 94.9 | Very high | 96.9 | Very high | 150 Ų | 150 | 43.6 Ų | 43.6 | 74% | 0.739 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -32.7 | -179.8 | -172.4 | 177.6 | 76.3 | 0 | 0 | 111.9 | F111 S116 | F111-M114 HydrophobicContact CD1-CE 3.55Å; F111-M114 HydrophobicContact CD1-SD 4.31Å; F111-M114 HydrophobicContact CE1-CE 4.16Å; F111-M114 HydrophobicContact CG-CE 4.36Å; F111-M114 PolarHBondContact O-N 3.13Å; F111-M114 VanDerWaalsContact O-N 3.17Å; M114-S116 VanDerWaalsContact C-N 3.29Å |
| 115 | A | 95 | Very high | 96.9 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 0.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F111 K113 S117 M120 | F111-A115 PolarHBondContact O-N 3.42Å; K113-A115 VanDerWaalsContact C-N 3.26Å; K113-A115 PolarHBondContact O-N 2.97Å; A115-S117 VanDerWaalsContact C-N 3.27Å; A115-S117 PolarHBondContact O-N 3.5Å; A115-M120 HydrophobicContact CB-CE 4.22Å; A115-M120 HydrophobicContact CB-SD 3.36Å; A115-M120 WeakPolarHBondContact CB-SD 3.23Å |
| 116 | S | 94.8 | Very high | 96.9 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.7 | 52.6 | -172.3 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | T46 R50 S112 K113 M114 | T46-S116 WeakPolarHBondContact CG2-O 3.31Å; R50-S116 PolarHBondContact NE-O 2.93Å; R50-S116 PolarHBondContact NH2-O 2.95Å; S112-S116 PolarHBondContact O-N 2.9Å; K113-S116 PolarHBondContact O-N 2.96Å; M114-S116 VanDerWaalsContact C-N 3.29Å |
| 117 | S | 96.2 | Very high | 96.9 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | trans | -137.6 | 110.9 | -175.2 | 175.9 | 0 | 0 | 0 | 0 | 113.4 | S112 A115 E119 M120 | S112-S117 PolarHBondContact O-N 3.47Å; A115-S117 VanDerWaalsContact C-N 3.27Å; A115-S117 PolarHBondContact O-N 3.5Å; S117-E119 WeakPolarHBondContact CB-OE2 3.43Å; S117-E119 PolarHBondContact OG-N 3.43Å; S117-E119 PolarHBondContact OG-OE2 3.47Å; S117-M120 PolarHBondContact OG-N 3.42Å; S117-M120 VanDerWaalsContact OG-N 3.13Å | ||
| 118 | W | 94.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.4 | -20.7 | 167.2 | 59 | 69.3 | 0 | 0 | 0 | 112.3 | F42 I43 T46 Y47 Y51 I63 L121 I122 | F42-W118 HydrophobicContact CE1-CB 4.48Å; I43-W118 HydrophobicContact CG1-CB 4.01Å; I43-W118 HydrophobicContact CG2-CD2 4.39Å; I43-W118 HydrophobicContact CG2-CE3 4.02Å; I43-W118 WeakPolarHBondContact O-CZ3 3.04Å; T46-W118 VanDerWaalsContact CB-CZ3 3.48Å; T46-W118 HydrophobicContact CG2-CE3 3.55Å; T46-W118 HydrophobicContact CG2-CH2 4.21Å; T46-W118 HydrophobicContact CG2-CZ3 3.35Å; Y47-W118 AromaticContact CD2-CH2 3.6Å; Y47-W118 HydrophobicContact CD2-CH2 3.6Å; Y47-W118 HydrophobicContact CD2-CZ2 4.14Å; Y47-W118 HydrophobicContact CD2-CZ3 4.35Å; Y47-W118 HydrophobicContact CG-CH2 4.12Å; Y47-W118 VanDerWaalsContact N-CZ3 3.32Å; Y51-W118 HydrophobicContact CE2-CH2 4.13Å; Y51-W118 HydrophobicContact CE2-CZ2 4.33Å; I63-W118 HydrophobicContact CG2-CG 4.46Å; W118-L121 WeakPolarHBondContact O-CB 3.34Å; W118-L121 PolarHBondContact O-N 3.3Å; W118-I122 WeakPolarHBondContact O-CG1 3.37Å; W118-I122 PolarHBondContact O-N 3.34Å |
| 119 | E | 96.8 | Very high | 96.9 | Very high | 69 Ų | 69 | 39.4 Ų | 39.4 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65 | -42.5 | 175.1 | -56.6 | 84.9 | 175.1 | 0 | 0 | 110.9 | R50 S117 L121 I122 I123 | R50-E119 IonicContact CZ-OE1 3.26Å; R50-E119 IonicContact CZ-OE2 2.86Å; R50-E119 IonicContact NH1-OE1 2.71Å; R50-E119 PolarHBondContact NH1-OE1 2.99Å; R50-E119 IonicContact NH1-OE2 3.27Å; R50-E119 PolarHBondContact NH1-OE2 3.22Å; R50-E119 IonicContact NH2-OE1 2.86Å; R50-E119 IonicContact NH2-OE2 2.72Å; R50-E119 PolarHBondContact NH2-OE2 2.86Å; S117-E119 WeakPolarHBondContact CB-OE2 3.43Å; S117-E119 PolarHBondContact OG-N 3.43Å; S117-E119 PolarHBondContact OG-OE2 3.47Å; E119-L121 VanDerWaalsContact C-N 3.27Å; E119-L121 PolarHBondContact O-N 3.12Å; E119-I122 PolarHBondContact O-N 3.11Å; E119-I123 VanDerWaalsContact O-CG1 3.29Å; E119-I123 WeakPolarHBondContact O-CG1 3.33Å; E119-I123 PolarHBondContact O-N 2.93Å |
| 120 | M | 97.5 | Very high | 96.9 | Very high | 49 Ų | 49 | 41.1 Ų | 41.1 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.3 | -39.7 | 173.6 | -73.4 | -178.9 | 62 | 0 | 0 | 111.9 | L108 F111 A115 S117 G124 | L108-M120 HydrophobicContact CD2-CE 4.27Å; F111-M120 HydrophobicContact CB-CE 4.33Å; A115-M120 HydrophobicContact CB-CE 4.22Å; A115-M120 HydrophobicContact CB-SD 3.36Å; A115-M120 WeakPolarHBondContact CB-SD 3.23Å; S117-M120 PolarHBondContact OG-N 3.42Å; S117-M120 VanDerWaalsContact OG-N 3.13Å; M120-G124 PolarHBondContact O-N 2.54Å |
| 121 | L | 97 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -49.1 | 174.3 | 176.7 | 66.1 | 0 | 0 | 0 | 111.2 | I39 M109 W118 E119 I123 G124 R125 W185 L189 | I39-L121 HydrophobicContact CG2-CD2 3.61Å; M109-L121 HydrophobicContact CB-CD1 4.46Å; M109-L121 HydrophobicContact CG-CD1 4.19Å; W118-L121 WeakPolarHBondContact O-CB 3.34Å; W118-L121 PolarHBondContact O-N 3.3Å; E119-L121 VanDerWaalsContact C-N 3.27Å; E119-L121 PolarHBondContact O-N 3.12Å; L121-I123 PolarHBondContact O-N 3.16Å; L121-G124 PolarHBondContact O-N 2.91Å; L121-R125 HydrophobicContact CD1-CG 4.39Å; L121-R125 WeakPolarHBondContact O-CB 3.27Å; L121-R125 VanDerWaalsContact O-CG 3.25Å; L121-R125 WeakPolarHBondContact O-CG 3.3Å; L121-R125 PolarHBondContact O-N 3.39Å; L121-W185 HydrophobicContact CD1-CZ3 4.42Å; L121-L189 HydrophobicContact CD1-CD1 3.38Å |
| 122 | I | 97.9 | Very high | 96.8 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 18% | 0.179 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 179.4 | -68.5 | 168.1 | 0 | 0 | 0 | 111.2 | I63 I66 S67 I70 W118 E119 R125 F126 | I63-I122 HydrophobicContact CG2-CD1 4.34Å; I66-I122 HydrophobicContact CG2-CD1 4.31Å; I66-I122 HydrophobicContact CG2-CG2 4.21Å; S67-I122 WeakPolarHBondContact OG-CG1 3.48Å; I70-I122 HydrophobicContact CG1-CG2 4.44Å; I70-I122 HydrophobicContact CG2-CG2 4.15Å; I70-I122 WeakPolarHBondContact CG2-O 3.28Å; W118-I122 WeakPolarHBondContact O-CG1 3.37Å; W118-I122 PolarHBondContact O-N 3.34Å; E119-I122 PolarHBondContact O-N 3.11Å; I122-R125 PolarHBondContact O-N 3.13Å; I122-F126 PolarHBondContact O-N 3.45Å |
| 123 | I | 98.3 | Very high | 96.6 | Very high | 91 Ų | 91 | 34.6 Ų | 34.6 | 47% | 0.467 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 178.4 | -62.2 | 167.1 | 0 | 0 | 0 | 110 | L108 E119 L121 R125 F126 V127 | L108-I123 HydrophobicContact CD1-CB 4.38Å; L108-I123 HydrophobicContact CD1-CG2 3.77Å; E119-I123 VanDerWaalsContact O-CG1 3.29Å; E119-I123 WeakPolarHBondContact O-CG1 3.33Å; E119-I123 PolarHBondContact O-N 2.93Å; L121-I123 PolarHBondContact O-N 3.16Å; I123-R125 VanDerWaalsContact C-N 3.32Å; I123-R125 PolarHBondContact O-N 3.49Å; I123-F126 WeakPolarHBondContact O-CB 3.41Å; I123-F126 PolarHBondContact O-N 2.8Å; I123-V127 HydrophobicContact CG2-CG2 4.32Å; I123-V127 VanDerWaalsContact O-CG2 3.31Å; I123-V127 WeakPolarHBondContact O-CG2 3.3Å; I123-V127 PolarHBondContact O-N 2.95Å |
| 124 | G | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A105 M120 L121 V127 V128 | A105-G124 WeakPolarHBondContact CB-O 3.27Å; M120-G124 PolarHBondContact O-N 2.54Å; L121-G124 PolarHBondContact O-N 2.91Å; G124-V127 PolarHBondContact O-N 3.39Å; G124-V128 PolarHBondContact O-N 3.46Å |
| 125 | R | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.2 | -70.6 | -69.9 | -64.3 | 168.6 | 1.4 | 112.4 | N28 S67 I70 F71 M109 L121 I122 I123 V128 G129 | N28-R125 PolarHBondContact O-NH1 3.35Å; S67-R125 WeakPolarHBondContact O-CB 3.2Å; S67-R125 WeakPolarHBondContact O-CG 3.48Å; S67-R125 PolarHBondContact O-NE 3.02Å; I70-R125 HydrophobicContact CG2-CB 3.68Å; F71-R125 WeakPolarHBondContact CA-O 3.4Å; M109-R125 HydrophobicContact SD-CG 4.04Å; L121-R125 HydrophobicContact CD1-CG 4.39Å; L121-R125 WeakPolarHBondContact O-CB 3.27Å; L121-R125 VanDerWaalsContact O-CG 3.25Å; L121-R125 WeakPolarHBondContact O-CG 3.3Å; L121-R125 PolarHBondContact O-N 3.39Å; I122-R125 PolarHBondContact O-N 3.13Å; I123-R125 VanDerWaalsContact C-N 3.32Å; I123-R125 PolarHBondContact O-N 3.49Å; R125-V128 WeakPolarHBondContact O-CG1 3.31Å; R125-G129 PolarHBondContact O-N 3.26Å |
| 126 | F | 98.4 | Very high | 96 | Very high | 62 Ų | 62 | 22.7 Ų | 22.7 | 27% | 0.272 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -62.7 | -47.8 | 173.1 | 175.5 | -109.4 | 0 | 0 | 0 | 111.9 | I70 V73 F77 I122 I123 G129 L130 | I70-F126 HydrophobicContact CD1-CD2 4.37Å; I70-F126 HydrophobicContact CG1-CB 3.79Å; I70-F126 HydrophobicContact CG1-CD2 4.04Å; I70-F126 HydrophobicContact CG1-CG 4.31Å; I70-F126 HydrophobicContact CG2-CB 4.49Å; V73-F126 HydrophobicContact CG1-CE2 4.19Å; F77-F126 HydrophobicContact CD2-CE2 4.14Å; F77-F126 HydrophobicContact CD2-CZ 4.38Å; I122-F126 PolarHBondContact O-N 3.45Å; I123-F126 WeakPolarHBondContact O-CB 3.41Å; I123-F126 PolarHBondContact O-N 2.8Å; F126-G129 WeakPolarHBondContact O-CA 3.3Å; F126-G129 PolarHBondContact O-N 2.93Å; F126-G129 VanDerWaalsContact O-N 3.1Å; F126-L130 HydrophobicContact CD1-CD1 4.19Å; F126-L130 HydrophobicContact CE1-CD1 3.65Å; F126-L130 HydrophobicContact CE1-CG 4.21Å; F126-L130 HydrophobicContact CZ-CD1 4Å; F126-L130 HydrophobicContact CZ-CD2 4.16Å; F126-L130 HydrophobicContact CZ-CG 4.16Å; F126-L130 PolarHBondContact O-N 3.22Å |
| 127 | V | 98.4 | Very high | 95.5 | Very high | 18 Ų | 18 | 20.9 Ų | 20.9 | 11% | 0.109 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | -177.7 | 177 | 0 | 0 | 0 | 0 | 111.6 | L101 I104 A105 L108 I123 G124 G129 L130 Y131 | L101-V127 HydrophobicContact CB-CG1 4.08Å; L101-V127 HydrophobicContact CD2-CG1 4.27Å; L101-V127 VanDerWaalsContact O-CG1 3.3Å; L101-V127 WeakPolarHBondContact O-CG1 3.46Å; I104-V127 HydrophobicContact CB-CG1 4.3Å; I104-V127 HydrophobicContact CG2-CG1 4.13Å; A105-V127 HydrophobicContact CB-CB 4.12Å; A105-V127 HydrophobicContact CB-CG1 4.02Å; L108-V127 HydrophobicContact CD1-CG2 4.38Å; I123-V127 HydrophobicContact CG2-CG2 4.32Å; I123-V127 VanDerWaalsContact O-CG2 3.31Å; I123-V127 WeakPolarHBondContact O-CG2 3.3Å; I123-V127 PolarHBondContact O-N 2.95Å; G124-V127 PolarHBondContact O-N 3.39Å; V127-G129 PolarHBondContact O-N 3.44Å; V127-L130 WeakPolarHBondContact O-CB 3.27Å; V127-L130 PolarHBondContact O-N 2.9Å; V127-Y131 PolarHBondContact O-N 3.28Å; V127-Y131 VanDerWaalsContact O-N 3.08Å |
| 128 | V | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.8 | -25.6 | 174.2 | 76.7 | 0 | 0 | 0 | 0 | 112.3 | N28 F71 A105 M109 G124 R125 Y131 S132 L192 | N28-V128 HydrophobicContact CB-CG1 4.46Å; N28-V128 HydrophobicContact CB-CG2 4.13Å; N28-V128 WeakPolarHBondContact ND2-CG2 3.39Å; N28-V128 WeakPolarHBondContact OD1-CG2 3.49Å; F71-V128 HydrophobicContact CD2-CG1 3.84Å; F71-V128 HydrophobicContact CE2-CG1 4.08Å; A105-V128 HydrophobicContact CB-CB 3.66Å; A105-V128 HydrophobicContact CB-CG2 4.37Å; M109-V128 HydrophobicContact CE-CB 4.32Å; M109-V128 HydrophobicContact CE-CG1 4.13Å; G124-V128 PolarHBondContact O-N 3.46Å; R125-V128 WeakPolarHBondContact O-CG1 3.31Å; V128-Y131 HydrophobicContact CG2-CD1 4.49Å; V128-Y131 PolarHBondContact O-N 2.84Å; V128-S132 VanDerWaalsContact O-CB 3.3Å; V128-S132 WeakPolarHBondContact O-CB 3.46Å; V128-S132 PolarHBondContact O-N 3.47Å; V128-S132 PolarHBondContact O-OG 3Å; V128-L192 HydrophobicContact CG2-CD1 4.32Å; V128-L192 HydrophobicContact CG2-CD2 4.38Å |
| 129 | G | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F71 G74 G75 R125 F126 V127 Y131 S132 G133 | F71-G129 VanDerWaalsContact CD2-CA 3.47Å; F71-G129 WeakPolarHBondContact O-CA 3.33Å; G74-G129 CarbonylContact C-O 3.55Å; G75-G129 VanDerWaalsContact CA-O 3.31Å; G75-G129 WeakPolarHBondContact CA-O 3.36Å; G75-G129 PolarHBondContact N-O 3.45Å; R125-G129 PolarHBondContact O-N 3.26Å; F126-G129 WeakPolarHBondContact O-CA 3.3Å; F126-G129 PolarHBondContact O-N 2.93Å; F126-G129 VanDerWaalsContact O-N 3.1Å; V127-G129 PolarHBondContact O-N 3.44Å; G129-Y131 VanDerWaalsContact C-N 3.33Å; G129-Y131 PolarHBondContact O-N 3.47Å; G129-S132 PolarHBondContact O-N 2.82Å; G129-S132 VanDerWaalsContact O-N 3.16Å; G129-G133 PolarHBondContact O-N 2.92Å |
| 130 | L | 97.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 18.7 Ų | 18.7 | 19% | 0.188 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56 | -47.9 | 175 | -67.9 | 169.4 | 0 | 0 | 0 | 111.3 | G74 F77 L101 F126 V127 S132 G133 L134 | G74-L130 WeakPolarHBondContact O-CA 3.37Å; G74-L130 WeakPolarHBondContact O-CD2 3.46Å; F77-L130 HydrophobicContact CB-CD2 3.54Å; L101-L130 HydrophobicContact CD1-CB 4.18Å; F126-L130 HydrophobicContact CD1-CD1 4.19Å; F126-L130 HydrophobicContact CE1-CD1 3.65Å; F126-L130 HydrophobicContact CE1-CG 4.21Å; F126-L130 HydrophobicContact CZ-CD1 4Å; F126-L130 HydrophobicContact CZ-CD2 4.16Å; F126-L130 HydrophobicContact CZ-CG 4.16Å; F126-L130 PolarHBondContact O-N 3.22Å; V127-L130 WeakPolarHBondContact O-CB 3.27Å; V127-L130 PolarHBondContact O-N 2.9Å; L130-S132 VanDerWaalsContact C-N 3.35Å; L130-S132 PolarHBondContact O-N 2.91Å; L130-G133 PolarHBondContact O-N 2.65Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-L134 PolarHBondContact O-N 3.28Å; L130-L134 VanDerWaalsContact O-N 3.07Å |
| 131 | Y | 97.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.3 | -46.7 | 175.2 | 170 | -96.2 | 0 | 0 | 0 | 112.3 | G21 Q24 A98 N99 A102 V127 V128 G129 L134 S135 Q199 | G21-Y131 WeakPolarHBondContact CA-OH 3.24Å; Q24-Y131 HydrophobicContact CB-CE1 3.71Å; Q24-Y131 VanDerWaalsContact CD-OH 3.27Å; Q24-Y131 HydrophobicContact CG-CE1 4.47Å; Q24-Y131 PolarHBondContact NE2-OH 3.38Å; A98-Y131 HydrophobicContact CB-CD2 4.05Å; A98-Y131 HydrophobicContact CB-CE2 4.22Å; A98-Y131 VanDerWaalsContact O-CD2 3.32Å; A98-Y131 WeakPolarHBondContact O-CD2 3.28Å; N99-Y131 WeakPolarHBondContact OD1-CE2 3.38Å; A102-Y131 HydrophobicContact CB-CD1 4.5Å; A102-Y131 HydrophobicContact CB-CD2 3.93Å; A102-Y131 HydrophobicContact CB-CE2 4.03Å; A102-Y131 HydrophobicContact CB-CG 4.16Å; V127-Y131 PolarHBondContact O-N 3.28Å; V127-Y131 VanDerWaalsContact O-N 3.08Å; V128-Y131 HydrophobicContact CG2-CD1 4.49Å; V128-Y131 PolarHBondContact O-N 2.84Å; G129-Y131 VanDerWaalsContact C-N 3.33Å; G129-Y131 PolarHBondContact O-N 3.47Å; Y131-L134 PolarHBondContact O-N 3.47Å; Y131-S135 WeakPolarHBondContact CE1-OG 3.32Å; Y131-S135 WeakPolarHBondContact O-CB 3.41Å; Y131-S135 PolarHBondContact O-N 3.33Å; Y131-S135 PolarHBondContact O-OG 3.37Å; Y131-Q199 PolarHBondContact OH-OE1 2.89Å |
| 132 | S | 95 | Very high | 94 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.6 | -43.8 | -177.1 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | F71 V128 G129 L130 L134 S135 T136 | F71-S132 WeakPolarHBondContact CE2-OG 3.48Å; V128-S132 VanDerWaalsContact O-CB 3.3Å; V128-S132 WeakPolarHBondContact O-CB 3.46Å; V128-S132 PolarHBondContact O-N 3.47Å; V128-S132 PolarHBondContact O-OG 3Å; G129-S132 PolarHBondContact O-N 2.82Å; G129-S132 VanDerWaalsContact O-N 3.16Å; L130-S132 VanDerWaalsContact C-N 3.35Å; L130-S132 PolarHBondContact O-N 2.91Å; S132-L134 VanDerWaalsContact C-N 3.35Å; S132-L134 PolarHBondContact O-N 2.82Å; S132-S135 PolarHBondContact O-N 3.29Å; S132-T136 WeakPolarHBondContact O-CG2 3.1Å; S132-T136 PolarHBondContact O-N 2.87Å; S132-T136 PolarHBondContact O-OG1 2.94Å |
| 133 | G | 92.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G129 L130 T136 | G129-G133 PolarHBondContact O-N 2.92Å; L130-G133 PolarHBondContact O-N 2.65Å; G133-T136 PolarHBondContact O-OG1 3.28Å |
| 134 | L | 92.9 | Very high | 93 | Very high | 8 Ų | 8 | 14 Ų | 14 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.6 | -71.2 | 166.7 | 0 | 0 | 0 | 111.7 | G78 V82 F85 A98 L101 L130 Y131 S132 T136 G137 F138 | G78-L134 WeakPolarHBondContact O-CD2 3.47Å; V82-L134 HydrophobicContact CG2-CD2 4.24Å; F85-L134 HydrophobicContact CD2-CD2 3.88Å; F85-L134 HydrophobicContact CE2-CD2 4.16Å; A98-L134 HydrophobicContact CB-CD1 4.49Å; L101-L134 HydrophobicContact CD1-CD1 3.75Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-L134 PolarHBondContact O-N 3.28Å; L130-L134 VanDerWaalsContact O-N 3.07Å; Y131-L134 PolarHBondContact O-N 3.47Å; S132-L134 VanDerWaalsContact C-N 3.35Å; S132-L134 PolarHBondContact O-N 2.82Å; L134-T136 VanDerWaalsContact C-N 3.34Å; L134-T136 PolarHBondContact O-N 3.5Å; L134-G137 PolarHBondContact O-N 3.06Å; L134-F138 HydrophobicContact CB-CD2 4.18Å; L134-F138 HydrophobicContact CB-CE2 3.72Å; L134-F138 HydrophobicContact CB-CZ 3.91Å; L134-F138 HydrophobicContact CD2-CE1 4.14Å; L134-F138 HydrophobicContact CD2-CE2 4.25Å; L134-F138 HydrophobicContact CD2-CZ 3.61Å; L134-F138 HydrophobicContact CG-CE2 4.4Å; L134-F138 HydrophobicContact CG-CZ 4.24Å; L134-F138 WeakPolarHBondContact O-CD1 3.47Å; L134-F138 WeakPolarHBondContact O-CG 3.35Å; L134-F138 PolarHBondContact O-N 3.29Å |
| 135 | S | 92.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 4% | 0.035 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.3 | -38 | -178.5 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | Y131 S132 G137 F138 V139 | Y131-S135 WeakPolarHBondContact CE1-OG 3.32Å; Y131-S135 WeakPolarHBondContact O-CB 3.41Å; Y131-S135 PolarHBondContact O-N 3.33Å; Y131-S135 PolarHBondContact O-OG 3.37Å; S132-S135 PolarHBondContact O-N 3.29Å; S135-G137 PolarHBondContact O-N 3.06Å; S135-F138 PolarHBondContact O-N 3.32Å; S135-V139 WeakPolarHBondContact O-CG2 3.3Å; S135-V139 PolarHBondContact O-N 2.86Å |
| 136 | T | 87.1 | Confident | 92.2 | Very high | 17 Ų | 17 | 15.2 Ų | 15.2 | 10% | 0.104 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62 | -21.9 | 174.2 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | F25 S132 G133 L134 P140 W411 | F25-T136 HydrophobicContact CD1-CG2 3.52Å; F25-T136 HydrophobicContact CD2-CG2 4.46Å; F25-T136 HydrophobicContact CE1-CG2 3.58Å; F25-T136 HydrophobicContact CG-CG2 4.01Å; F25-T136 HydrophobicContact CZ-CG2 4.11Å; S132-T136 WeakPolarHBondContact O-CG2 3.1Å; S132-T136 PolarHBondContact O-N 2.87Å; S132-T136 PolarHBondContact O-OG1 2.94Å; G133-T136 PolarHBondContact O-OG1 3.28Å; L134-T136 VanDerWaalsContact C-N 3.34Å; L134-T136 PolarHBondContact O-N 3.5Å; T136-P140 WeakPolarHBondContact O-CD 3.26Å; T136-P140 WeakPolarHBondContact O-CG 3.49Å; T136-W411 HydrophobicContact CG2-CZ2 4.03Å |
| 137 | G | 85.5 | Confident | 91.7 | Very high | 18 Ų | 18 | 12.3 Ų | 12.3 | 19% | 0.186 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -93.5 | -41.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L134 S135 M141 | L134-G137 PolarHBondContact O-N 3.06Å; S135-G137 PolarHBondContact O-N 3.06Å; G137-M141 VanDerWaalsContact O-CB 3.29Å; G137-M141 WeakPolarHBondContact O-CB 3.32Å; G137-M141 PolarHBondContact O-N 3.25Å |
| 138 | F | 91 | Very high | 91.1 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.5 | -46.8 | -173.4 | -65.4 | -13 | 0 | 0 | 0 | 113.1 | V82 F85 V86 S94 M95 A98 L134 S135 M141 Y142 | V82-F138 HydrophobicContact CB-CE1 4.19Å; V82-F138 HydrophobicContact CG1-CD1 3.93Å; V82-F138 HydrophobicContact CG1-CE1 3.94Å; V82-F138 HydrophobicContact CG2-CD1 4.36Å; V82-F138 HydrophobicContact CG2-CE1 4.17Å; F85-F138 HydrophobicContact CB-CE1 4.1Å; F85-F138 HydrophobicContact CB-CZ 3.72Å; F85-F138 HydrophobicContact CD2-CZ 4.47Å; F85-F138 HydrophobicContact CG-CZ 4.22Å; V86-F138 HydrophobicContact CG1-CD1 3.37Å; V86-F138 HydrophobicContact CG1-CE1 3.43Å; V86-F138 VanDerWaalsContact CG1-CE1 3.43Å; V86-F138 HydrophobicContact CG1-CG 4.46Å; S94-F138 WeakPolarHBondContact O-CE2 3.5Å; M95-F138 HydrophobicContact CG-CB 3.64Å; M95-F138 HydrophobicContact CG-CD2 3.96Å; M95-F138 HydrophobicContact CG-CG 4.19Å; M95-F138 HydrophobicContact SD-CB 4.32Å; A98-F138 HydrophobicContact CB-CD2 4.49Å; A98-F138 HydrophobicContact CB-CE2 4Å; L134-F138 HydrophobicContact CB-CD2 4.18Å; L134-F138 HydrophobicContact CB-CE2 3.72Å; L134-F138 HydrophobicContact CB-CZ 3.91Å; L134-F138 HydrophobicContact CD2-CE1 4.14Å; L134-F138 HydrophobicContact CD2-CE2 4.25Å; L134-F138 HydrophobicContact CD2-CZ 3.61Å; L134-F138 HydrophobicContact CG-CE2 4.4Å; L134-F138 HydrophobicContact CG-CZ 4.24Å; L134-F138 WeakPolarHBondContact O-CD1 3.47Å; L134-F138 WeakPolarHBondContact O-CG 3.35Å; L134-F138 PolarHBondContact O-N 3.29Å; S135-F138 PolarHBondContact O-N 3.32Å; F138-M141 PolarHBondContact O-N 3.45Å; F138-Y142 WeakPolarHBondContact O-CB 3.37Å; F138-Y142 PolarHBondContact O-N 2.94Å |
| 139 | V | 92.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.3 | -55.8 | -174 | -179 | 0 | 0 | 0 | 0 | 112.1 | A18 V19 S22 M95 S135 M141 Y142 V143 | A18-V139 HydrophobicContact CB-CG1 4.14Å; A18-V139 WeakPolarHBondContact O-CG2 3.3Å; V19-V139 HydrophobicContact CG2-CG1 4.45Å; S22-V139 WeakPolarHBondContact OG-CG1 3.41Å; M95-V139 HydrophobicContact SD-CG2 4.44Å; S135-V139 WeakPolarHBondContact O-CG2 3.3Å; S135-V139 PolarHBondContact O-N 2.86Å; V139-M141 VanDerWaalsContact C-N 3.25Å; V139-M141 PolarHBondContact O-N 3Å; V139-Y142 PolarHBondContact O-N 2.66Å; V139-V143 HydrophobicContact CG1-CG2 4.03Å; V139-V143 WeakPolarHBondContact O-CB 3.35Å; V139-V143 VanDerWaalsContact O-CG2 3.28Å; V139-V143 WeakPolarHBondContact O-CG2 3.1Å; V139-V143 PolarHBondContact O-N 2.88Å |
| 140 | P | 87.5 | Confident | 89.1 | Confident | 50 Ų | 50 | 19.9 Ų | 19.9 | 33% | 0.325 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.5 | -33.7 | -179.8 | 23.2 | -33.3 | 0 | 0 | 0 | 112.4 | T136 G144 | T136-P140 WeakPolarHBondContact O-CD 3.26Å; T136-P140 WeakPolarHBondContact O-CG 3.49Å; P140-G144 PolarHBondContact O-N 3.01Å |
| 141 | M | 87.3 | Confident | 88.2 | Confident | 61 Ų | 61 | 20.3 Ų | 20.3 | 30% | 0.3 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.4 | -52.1 | 174.4 | -173.9 | 179.9 | -62.7 | 0 | 0 | 111.3 | V82 V86 R91 G137 F138 V139 G144 E145 | V82-M141 HydrophobicContact CG1-CE 4.48Å; V86-M141 HydrophobicContact CB-SD 3.93Å; V86-M141 HydrophobicContact CG1-SD 3.99Å; V86-M141 HydrophobicContact CG2-CE 4.12Å; V86-M141 HydrophobicContact CG2-SD 3.81Å; R91-M141 HydrophobicContact CG-CG 4.12Å; R91-M141 HydrophobicContact CG-SD 4Å; G137-M141 VanDerWaalsContact O-CB 3.29Å; G137-M141 WeakPolarHBondContact O-CB 3.32Å; G137-M141 PolarHBondContact O-N 3.25Å; F138-M141 PolarHBondContact O-N 3.45Å; V139-M141 VanDerWaalsContact C-N 3.25Å; V139-M141 PolarHBondContact O-N 3Å; M141-G144 PolarHBondContact O-N 2.98Å; M141-E145 HydrophobicContact CG-CG 4.43Å; M141-E145 WeakPolarHBondContact O-CB 3.29Å; M141-E145 WeakPolarHBondContact O-CG 3.23Å; M141-E145 PolarHBondContact O-N 3.08Å |
| 142 | Y | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | -179.9 | -179.1 | -101.1 | 0 | 0 | 0 | 111.5 | S14 A18 R91 R92 M95 F138 V139 G144 E145 V146 P207 | S14-Y142 PolarHBondContact OG-OH 3.25Å; S14-Y142 VanDerWaalsContact OG-OH 3.09Å; A18-Y142 HydrophobicContact CB-CD1 3.61Å; A18-Y142 HydrophobicContact CB-CE1 4.11Å; R91-Y142 HydrophobicContact CB-CD2 3.76Å; R91-Y142 HydrophobicContact CB-CG 4.44Å; R92-Y142 HydrophobicContact CB-CE2 4.08Å; M95-Y142 HydrophobicContact CE-CD1 3.74Å; M95-Y142 HydrophobicContact CE-CD2 3.85Å; M95-Y142 HydrophobicContact CE-CE1 4.21Å; M95-Y142 HydrophobicContact CE-CE2 4.32Å; M95-Y142 HydrophobicContact CE-CG 3.52Å; F138-Y142 WeakPolarHBondContact O-CB 3.37Å; F138-Y142 PolarHBondContact O-N 2.94Å; V139-Y142 PolarHBondContact O-N 2.66Å; Y142-G144 VanDerWaalsContact C-N 3.34Å; Y142-G144 PolarHBondContact O-N 3.34Å; Y142-E145 PolarHBondContact O-N 2.94Å; Y142-E145 VanDerWaalsContact O-N 3.16Å; Y142-V146 HydrophobicContact CD1-CG1 4.39Å; Y142-V146 HydrophobicContact CD1-CG2 4.48Å; Y142-V146 HydrophobicContact CD2-CG1 4.13Å; Y142-V146 HydrophobicContact CE1-CG1 4.03Å; Y142-V146 HydrophobicContact CE1-CG2 4.31Å; Y142-V146 HydrophobicContact CE2-CG1 3.74Å; Y142-V146 HydrophobicContact CG-CG1 4.46Å; Y142-V146 WeakPolarHBondContact O-CG1 3.45Å; Y142-V146 WeakPolarHBondContact O-CG2 3.48Å; Y142-V146 PolarHBondContact O-N 3.12Å; Y142-P207 WeakPolarHBondContact CE2-O 3.33Å; Y142-P207 PolarHBondContact OH-O 3.48Å |
| 143 | V | 89.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | V15 A18 V139 E145 S147 L155 | V15-V143 HydrophobicContact CG1-CG1 4.18Å; V15-V143 HydrophobicContact CG1-CG2 4.14Å; V15-V143 HydrophobicContact CG2-CG1 4.34Å; A18-V143 HydrophobicContact CB-CG2 4.04Å; V139-V143 HydrophobicContact CG1-CG2 4.03Å; V139-V143 WeakPolarHBondContact O-CB 3.35Å; V139-V143 VanDerWaalsContact O-CG2 3.28Å; V139-V143 WeakPolarHBondContact O-CG2 3.1Å; V139-V143 PolarHBondContact O-N 2.88Å; V143-E145 VanDerWaalsContact C-N 3.31Å; V143-E145 PolarHBondContact O-N 3.45Å; V143-S147 WeakPolarHBondContact O-CB 3.37Å; V143-S147 PolarHBondContact O-N 3.45Å; V143-S147 PolarHBondContact O-OG 3.21Å; V143-L155 HydrophobicContact CG1-CB 3.99Å; V143-L155 WeakPolarHBondContact CG1-O 3.42Å |
| 144 | G | 85.7 | Confident | 85.5 | Confident | 16 Ų | 16 | 28.4 Ų | 28.4 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -36.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P140 M141 Y142 R152 R211 | P140-G144 PolarHBondContact O-N 3.01Å; M141-G144 PolarHBondContact O-N 2.98Å; Y142-G144 VanDerWaalsContact C-N 3.34Å; Y142-G144 PolarHBondContact O-N 3.34Å; G144-R152 PolarHBondContact O-NE 2.95Å; G144-R211 PolarHBondContact O-NH1 3.45Å |
| 145 | E | 87.9 | Confident | 85 | Confident | 25 Ų | 25 | 28.9 Ų | 28.9 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.5 | -28.1 | -177.6 | -68.2 | -177.4 | 175 | 0 | 0 | 113.9 | R91 M141 Y142 V143 S209 R211 | R91-E145 WeakPolarHBondContact CD-OE2 3.48Å; R91-E145 IonicContact CZ-OE1 2.79Å; R91-E145 IonicContact CZ-OE2 3.11Å; R91-E145 VanDerWaalsContact NE-CD 3.35Å; R91-E145 IonicContact NE-OE1 2.53Å; R91-E145 PolarHBondContact NE-OE1 3.11Å; R91-E145 VanDerWaalsContact NE-OE1 3.11Å; R91-E145 IonicContact NE-OE2 2.91Å; R91-E145 PolarHBondContact NE-OE2 3.12Å; R91-E145 IonicContact NH2-OE1 2.97Å; R91-E145 PolarHBondContact NH2-OE1 3.46Å; R91-E145 IonicContact NH2-OE2 3.68Å; M141-E145 HydrophobicContact CG-CG 4.43Å; M141-E145 WeakPolarHBondContact O-CB 3.29Å; M141-E145 WeakPolarHBondContact O-CG 3.23Å; M141-E145 PolarHBondContact O-N 3.08Å; Y142-E145 PolarHBondContact O-N 2.94Å; Y142-E145 VanDerWaalsContact O-N 3.16Å; V143-E145 VanDerWaalsContact C-N 3.31Å; V143-E145 PolarHBondContact O-N 3.45Å; E145-S209 WeakPolarHBondContact CB-OG 3.36Å; E145-S209 WeakPolarHBondContact OE2-CB 3.37Å; E145-S209 PolarHBondContact OE2-OG 3.25Å; E145-R211 HydrophobicContact CB-CB 4.31Å; E145-R211 HydrophobicContact CG-CB 4.21Å; E145-R211 PolarHBondContact O-NH1 3.15Å |
| 146 | V | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -89.3 | -24.1 | 176.4 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | L11 V15 Y142 L230 R231 | L11-V146 HydrophobicContact CD1-CG2 4.2Å; V15-V146 HydrophobicContact CG2-CG2 4.15Å; Y142-V146 HydrophobicContact CD1-CG1 4.39Å; Y142-V146 HydrophobicContact CD1-CG2 4.48Å; Y142-V146 HydrophobicContact CD2-CG1 4.13Å; Y142-V146 HydrophobicContact CE1-CG1 4.03Å; Y142-V146 HydrophobicContact CE1-CG2 4.31Å; Y142-V146 HydrophobicContact CE2-CG1 3.74Å; Y142-V146 HydrophobicContact CG-CG1 4.46Å; Y142-V146 WeakPolarHBondContact O-CG1 3.45Å; Y142-V146 WeakPolarHBondContact O-CG2 3.48Å; Y142-V146 PolarHBondContact O-N 3.12Å; V146-L230 HydrophobicContact CB-CD1 4.02Å; V146-L230 HydrophobicContact CG1-CD1 4.31Å; V146-R231 PolarHBondContact O-NH1 2.88Å |
| 147 | S | 86.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -73.8 | 146.2 | -174.8 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | V143 L155 R231 | V143-S147 WeakPolarHBondContact O-CB 3.37Å; V143-S147 PolarHBondContact O-N 3.45Å; V143-S147 PolarHBondContact O-OG 3.21Å; S147-L155 WeakPolarHBondContact OG-CB 3.14Å; S147-L155 VanDerWaalsContact OG-CD1 3.23Å; S147-L155 WeakPolarHBondContact OG-CD1 3.22Å; S147-R231 PolarHBondContact O-NH2 2.89Å |
| 148 | P | 85.6 | Confident | 84.3 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | trans | -60.4 | 147.6 | 167.2 | -16.5 | 28.1 | 0 | 0 | 0 | 111 | L11 A150 L151 R152 | L11-P148 HydrophobicContact CD2-CG 4.12Å; P148-A150 VanDerWaalsContact C-N 3.28Å; P148-A150 PolarHBondContact O-N 3.31Å; P148-L151 HydrophobicContact CG-CD1 4.43Å; P148-L151 CarbonylContact O-C 3.55Å; P148-L151 PolarHBondContact O-N 3.49Å; P148-R152 PolarHBondContact O-N 3.12Å | ||
| 149 | T | 78.8 | Confident | 84.1 | Confident | 68 Ų | 68 | 32.8 Ų | 32.8 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -56.2 | -41.5 | -177.1 | -52.1 | 0 | 0 | 0 | 0 | 112.3 | L151 R152 E242 | T149-L151 VanDerWaalsContact C-N 3.32Å; T149-L151 PolarHBondContact O-N 3.3Å; T149-R152 PolarHBondContact OG1-NH2 2.83Å; T149-E242 VanDerWaalsContact OG1-CD 3.27Å; T149-E242 PolarHBondContact OG1-OE1 3.43Å; T149-E242 PolarHBondContact OG1-OE2 2.88Å |
| 150 | A | 75.6 | Confident | 83.8 | Confident | 90 Ų | 90 | 34.1 Ų | 34.1 | 74% | 0.744 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -66.7 | -26.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P148 | P148-A150 VanDerWaalsContact C-N 3.28Å; P148-A150 PolarHBondContact O-N 3.31Å |
| 151 | L | 77.4 | Confident | 83.9 | Confident | 46 Ų | 46 | 33.3 Ų | 33.3 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -109.1 | 0.2 | -176.6 | -62.4 | 179.4 | 0 | 0 | 0 | 113.1 | I7 P148 T149 G153 A154 L155 | I7-L151 HydrophobicContact CD1-CD1 4.4Å; I7-L151 HydrophobicContact CG1-CD1 3.86Å; P148-L151 HydrophobicContact CG-CD1 4.43Å; P148-L151 CarbonylContact O-C 3.55Å; P148-L151 PolarHBondContact O-N 3.49Å; T149-L151 VanDerWaalsContact C-N 3.32Å; T149-L151 PolarHBondContact O-N 3.3Å; L151-G153 VanDerWaalsContact C-N 3.33Å; L151-G153 PolarHBondContact O-N 3.28Å; L151-A154 PolarHBondContact O-N 3.19Å; L151-L155 HydrophobicContact CB-CD1 4.16Å; L151-L155 HydrophobicContact CB-CG 4.4Å; L151-L155 PolarHBondContact O-N 2.84Å |
| 152 | R | 77.6 | Confident | 84.2 | Confident | 67 Ų | 67 | 30.6 Ų | 30.6 | 25% | 0.253 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.2 | -42.2 | -173.1 | -166.8 | -180 | -59.1 | 162.6 | 10.8 | 112.4 | G144 P148 T149 G156 E242 E246 | G144-R152 PolarHBondContact O-NE 2.95Å; P148-R152 PolarHBondContact O-N 3.12Å; T149-R152 PolarHBondContact OG1-NH2 2.83Å; R152-G156 PolarHBondContact O-N 2.81Å; R152-E242 IonicContact NH2-OE1 3.05Å; R152-E242 PolarHBondContact NH2-OE1 3.19Å; R152-E246 IonicContact NH1-OE1 3.6Å |
| 153 | G | 72 | Confident | 84.2 | Confident | 41 Ų | 41 | 31.3 Ų | 31.3 | 42% | 0.423 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.7 | -53.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L151 L155 G156 T157 | L151-G153 VanDerWaalsContact C-N 3.33Å; L151-G153 PolarHBondContact O-N 3.28Å; G153-L155 PolarHBondContact O-N 2.96Å; G153-G156 PolarHBondContact O-N 3.27Å; G153-T157 WeakPolarHBondContact O-CG2 3.43Å; G153-T157 PolarHBondContact O-N 3.49Å; G153-T157 VanDerWaalsContact O-N 3.09Å |
| 154 | A | 78.7 | Confident | 84.4 | Confident | 62 Ų | 62 | 31.3 Ų | 31.3 | 51% | 0.512 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58 | -47.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L151 T157 | L151-A154 PolarHBondContact O-N 3.19Å; A154-T157 PolarHBondContact O-N 3.48Å; A154-T157 PolarHBondContact O-OG1 3.42Å |
| 155 | L | 83.1 | Confident | 84.8 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 10% | 0.099 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.3 | -33.9 | 178.4 | -66.6 | 174.4 | 0 | 0 | 0 | 112.2 | L11 V15 V143 S147 L151 G153 T157 L158 | L11-L155 HydrophobicContact CD1-CD1 4.46Å; L11-L155 HydrophobicContact CD2-CD1 4.13Å; L11-L155 HydrophobicContact CG-CD1 4.42Å; V15-L155 HydrophobicContact CG1-CD2 4.44Å; V15-L155 HydrophobicContact CG2-CD1 4.43Å; V143-L155 HydrophobicContact CG1-CB 3.99Å; V143-L155 WeakPolarHBondContact CG1-O 3.42Å; S147-L155 WeakPolarHBondContact OG-CB 3.14Å; S147-L155 VanDerWaalsContact OG-CD1 3.23Å; S147-L155 WeakPolarHBondContact OG-CD1 3.22Å; L151-L155 HydrophobicContact CB-CD1 4.16Å; L151-L155 HydrophobicContact CB-CG 4.4Å; L151-L155 PolarHBondContact O-N 2.84Å; G153-L155 PolarHBondContact O-N 2.96Å; L155-T157 PolarHBondContact O-N 2.75Å; L155-L158 HydrophobicContact CD2-CD1 3.83Å; L155-L158 VanDerWaalsContact O-CB 3.3Å; L155-L158 WeakPolarHBondContact O-CB 3.49Å; L155-L158 PolarHBondContact O-N 3.47Å; L155-L158 VanDerWaalsContact O-N 3.14Å |
| 156 | G | 79.7 | Confident | 85.3 | Confident | 22 Ų | 22 | 32.3 Ų | 32.3 | 23% | 0.227 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -32.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R152 G153 L158 H159 | R152-G156 PolarHBondContact O-N 2.81Å; G153-G156 PolarHBondContact O-N 3.27Å; G156-L158 PolarHBondContact O-N 3.33Å; G156-H159 VanDerWaalsContact O-CB 3.27Å; G156-H159 WeakPolarHBondContact O-CB 3.28Å; G156-H159 PolarHBondContact O-N 2.89Å; G156-H159 VanDerWaalsContact O-N 3.15Å |
| 157 | T | 80.5 | Confident | 85.5 | Confident | 16 Ų | 16 | 32.5 Ų | 32.5 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.3 | -19.9 | 178.3 | 71.5 | 0 | 0 | 0 | 0 | 114.1 | G153 A154 L155 H159 Q160 L161 L324 F388 | G153-T157 WeakPolarHBondContact O-CG2 3.43Å; G153-T157 PolarHBondContact O-N 3.49Å; G153-T157 VanDerWaalsContact O-N 3.09Å; A154-T157 PolarHBondContact O-N 3.48Å; A154-T157 PolarHBondContact O-OG1 3.42Å; L155-T157 PolarHBondContact O-N 2.75Å; T157-H159 PolarHBondContact O-N 2.84Å; T157-H159 VanDerWaalsContact O-N 3.16Å; T157-Q160 PolarHBondContact O-N 3.35Å; T157-Q160 VanDerWaalsContact O-N 3.1Å; T157-L161 PolarHBondContact O-N 3.07Å; T157-L324 HydrophobicContact CG2-CD2 3.62Å; T157-F388 HydrophobicContact CG2-CZ 4.12Å |
| 158 | L | 88.1 | Confident | 85.9 | Confident | 56 Ų | 56 | 34 Ų | 34 | 29% | 0.293 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.4 | -21 | 174 | -62.3 | 174.4 | 0 | 0 | 0 | 112.2 | V15 V19 L155 G156 L161 G162 | V15-L158 HydrophobicContact CG1-CD1 3.59Å; V19-L158 VanDerWaalsContact CG1-O 3.3Å; V19-L158 WeakPolarHBondContact CG1-O 3.24Å; V19-L158 HydrophobicContact CG2-CB 3.81Å; L155-L158 HydrophobicContact CD2-CD1 3.83Å; L155-L158 VanDerWaalsContact O-CB 3.3Å; L155-L158 WeakPolarHBondContact O-CB 3.49Å; L155-L158 PolarHBondContact O-N 3.47Å; L155-L158 VanDerWaalsContact O-N 3.14Å; G156-L158 PolarHBondContact O-N 3.33Å; L158-L161 HydrophobicContact CD2-CD2 4.05Å; L158-G162 PolarHBondContact O-N 3.44Å |
| 159 | H | 86.9 | Confident | 86.4 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -56.7 | 169.3 | -179.7 | 54.9 | 0 | 0 | 0 | 111.2 | S22 G156 T157 L161 G162 I163 | S22-H159 WeakPolarHBondContact CB-ND1 3.4Å; S22-H159 VanDerWaalsContact CB-O 3.3Å; S22-H159 WeakPolarHBondContact CB-O 3.43Å; S22-H159 PolarHBondContact OG-ND1 3.18Å; G156-H159 VanDerWaalsContact O-CB 3.27Å; G156-H159 WeakPolarHBondContact O-CB 3.28Å; G156-H159 PolarHBondContact O-N 2.89Å; G156-H159 VanDerWaalsContact O-N 3.15Å; T157-H159 PolarHBondContact O-N 2.84Å; T157-H159 VanDerWaalsContact O-N 3.16Å; H159-L161 VanDerWaalsContact C-N 3.34Å; H159-L161 PolarHBondContact O-N 3.27Å; H159-G162 PolarHBondContact O-N 2.96Å; H159-I163 WeakPolarHBondContact O-CG1 3.41Å; H159-I163 PolarHBondContact O-N 3.27Å; H159-I163 VanDerWaalsContact O-N 3.12Å |
| 160 | Q | 86.8 | Confident | 87.3 | Confident | 29 Ų | 29 | 32.1 Ų | 32.1 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 178.8 | -177.5 | 63.8 | 14.3 | 0 | 0 | 111.2 | T157 G162 I163 V164 T320 E379 | T157-Q160 PolarHBondContact O-N 3.35Å; T157-Q160 VanDerWaalsContact O-N 3.1Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.13Å; Q160-I163 WeakPolarHBondContact O-CB 3.48Å; Q160-I163 PolarHBondContact O-N 3.46Å; Q160-I163 VanDerWaalsContact O-N 3.12Å; Q160-V164 PolarHBondContact O-N 3.47Å; Q160-V164 VanDerWaalsContact O-N 3.08Å; Q160-T320 HydrophobicContact CB-CG2 4.45Å; Q160-T320 HydrophobicContact CG-CG2 3.72Å; Q160-E379 PolarHBondContact NE2-OE1 3.01Å; Q160-E379 PolarHBondContact NE2-OE2 3.28Å |
| 161 | L | 90.1 | Very high | 88.2 | Confident | 32 Ų | 32 | 28 Ų | 28 | 17% | 0.168 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 176.8 | -173 | 61.2 | 0 | 0 | 0 | 111.8 | T157 L158 H159 I163 V164 I165 T317 V321 | T157-L161 PolarHBondContact O-N 3.07Å; L158-L161 HydrophobicContact CD2-CD2 4.05Å; H159-L161 VanDerWaalsContact C-N 3.34Å; H159-L161 PolarHBondContact O-N 3.27Å; L161-I163 VanDerWaalsContact C-N 3.33Å; L161-I163 PolarHBondContact O-N 3.05Å; L161-V164 HydrophobicContact CD1-CG2 4.14Å; L161-V164 VanDerWaalsContact O-CG2 3.3Å; L161-V164 WeakPolarHBondContact O-CG2 3.44Å; L161-V164 PolarHBondContact O-N 3.3Å; L161-I165 HydrophobicContact CD1-CD1 4.03Å; L161-I165 HydrophobicContact CD1-CG1 4.31Å; L161-I165 HydrophobicContact CD2-CD1 4.42Å; L161-I165 HydrophobicContact CG-CD1 3.77Å; L161-I165 HydrophobicContact CG-CG1 4.43Å; L161-I165 WeakPolarHBondContact O-CB 3.36Å; L161-I165 VanDerWaalsContact O-CG1 3.24Å; L161-I165 WeakPolarHBondContact O-CG1 3.5Å; L161-I165 PolarHBondContact O-N 3.27Å; L161-T317 HydrophobicContact CD1-CG2 4.43Å; L161-V321 HydrophobicContact CD1-CG2 3.89Å |
| 162 | G | 93.6 | Very high | 89.1 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L23 L158 H159 Q160 G166 | L23-G162 VanDerWaalsContact CA-O 3.26Å; L23-G162 WeakPolarHBondContact CA-O 3.27Å; L158-G162 PolarHBondContact O-N 3.44Å; H159-G162 PolarHBondContact O-N 2.96Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.13Å; G162-G166 PolarHBondContact O-N 3.13Å |
| 163 | I | 92.8 | Very high | 90 | Very high | 15 Ų | 15 | 28 Ų | 28 | 8% | 0.077 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -52.6 | 177.8 | -63.4 | 167.4 | 0 | 0 | 0 | 110.7 | S22 F25 G26 H159 Q160 L161 I165 G166 I167 | S22-I163 WeakPolarHBondContact O-CA 3.45Å; F25-I163 HydrophobicContact CD1-CD1 3.56Å; F25-I163 HydrophobicContact CD1-CG1 3.63Å; F25-I163 HydrophobicContact CD1-CG2 4.25Å; F25-I163 HydrophobicContact CE1-CD1 3.68Å; F25-I163 HydrophobicContact CE1-CG1 4.14Å; F25-I163 HydrophobicContact CE1-CG2 4.25Å; G26-I163 VanDerWaalsContact CA-O 3.28Å; G26-I163 WeakPolarHBondContact CA-O 3.38Å; H159-I163 WeakPolarHBondContact O-CG1 3.41Å; H159-I163 PolarHBondContact O-N 3.27Å; H159-I163 VanDerWaalsContact O-N 3.12Å; Q160-I163 WeakPolarHBondContact O-CB 3.48Å; Q160-I163 PolarHBondContact O-N 3.46Å; Q160-I163 VanDerWaalsContact O-N 3.12Å; L161-I163 VanDerWaalsContact C-N 3.33Å; L161-I163 PolarHBondContact O-N 3.05Å; I163-I165 PolarHBondContact O-N 3.19Å; I163-G166 WeakPolarHBondContact O-CA 3.12Å; I163-G166 PolarHBondContact O-N 2.94Å; I163-G166 VanDerWaalsContact O-N 3.11Å; I163-I167 HydrophobicContact CG2-CD1 4.16Å; I163-I167 WeakPolarHBondContact O-CG1 3.38Å; I163-I167 PolarHBondContact O-N 3.09Å |
| 164 | V | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.1 | -35.7 | -176 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | Q160 L161 G166 I167 L168 T317 T320 | Q160-V164 PolarHBondContact O-N 3.47Å; Q160-V164 VanDerWaalsContact O-N 3.08Å; L161-V164 HydrophobicContact CD1-CG2 4.14Å; L161-V164 VanDerWaalsContact O-CG2 3.3Å; L161-V164 WeakPolarHBondContact O-CG2 3.44Å; L161-V164 PolarHBondContact O-N 3.3Å; V164-G166 VanDerWaalsContact C-N 3.34Å; V164-I167 PolarHBondContact O-N 3.35Å; V164-L168 PolarHBondContact O-N 3.36Å; V164-T317 HydrophobicContact CG2-CG2 4.33Å; V164-T320 WeakPolarHBondContact CG1-OG1 3.46Å; V164-T320 HydrophobicContact CG2-CG2 4.12Å |
| 165 | I | 95.5 | Very high | 91.7 | Very high | 61 Ų | 61 | 24.2 Ų | 24.2 | 31% | 0.313 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 171 | -70.1 | 172.4 | 0 | 0 | 0 | 110.5 | L23 L161 I163 I167 L168 I169 T317 | L23-I165 HydrophobicContact CD1-CG2 4.42Å; L161-I165 HydrophobicContact CD1-CD1 4.03Å; L161-I165 HydrophobicContact CD1-CG1 4.31Å; L161-I165 HydrophobicContact CD2-CD1 4.42Å; L161-I165 HydrophobicContact CG-CD1 3.77Å; L161-I165 HydrophobicContact CG-CG1 4.43Å; L161-I165 WeakPolarHBondContact O-CB 3.36Å; L161-I165 VanDerWaalsContact O-CG1 3.24Å; L161-I165 WeakPolarHBondContact O-CG1 3.5Å; L161-I165 PolarHBondContact O-N 3.27Å; I163-I165 PolarHBondContact O-N 3.19Å; I165-I167 PolarHBondContact O-N 3.4Å; I165-L168 PolarHBondContact O-N 2.57Å; I165-I169 HydrophobicContact CG2-CD1 3.71Å; I165-I169 HydrophobicContact CG2-CG1 4.27Å; I165-I169 VanDerWaalsContact O-CG1 3.3Å; I165-I169 WeakPolarHBondContact O-CG1 3.34Å; I165-I169 PolarHBondContact O-N 3.43Å; I165-T317 HydrophobicContact CG1-CG2 4.24Å |
| 166 | G | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L23 Y27 G162 I163 V164 I169 A170 | L23-G166 WeakPolarHBondContact O-CA 3.36Å; Y27-G166 WeakPolarHBondContact CA-O 3.5Å; G162-G166 PolarHBondContact O-N 3.13Å; I163-G166 WeakPolarHBondContact O-CA 3.12Å; I163-G166 PolarHBondContact O-N 2.94Å; I163-G166 VanDerWaalsContact O-N 3.11Å; V164-G166 VanDerWaalsContact C-N 3.34Å; G166-I169 PolarHBondContact O-N 3.48Å; G166-A170 WeakPolarHBondContact O-CB 3.37Å; G166-A170 PolarHBondContact O-N 3.39Å |
| 167 | I | 95.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 174.9 | -66.8 | 168.3 | 0 | 0 | 0 | 110.2 | G26 I163 V164 I165 I169 A170 Q171 F290 | G26-I167 VanDerWaalsContact O-CG1 3.23Å; G26-I167 WeakPolarHBondContact O-CG1 3.39Å; I163-I167 HydrophobicContact CG2-CD1 4.16Å; I163-I167 WeakPolarHBondContact O-CG1 3.38Å; I163-I167 PolarHBondContact O-N 3.09Å; V164-I167 PolarHBondContact O-N 3.35Å; I165-I167 PolarHBondContact O-N 3.4Å; I167-I169 PolarHBondContact O-N 3.36Å; I167-A170 WeakPolarHBondContact O-CB 3.48Å; I167-A170 PolarHBondContact O-N 3.2Å; I167-Q171 HydrophobicContact CG2-CG 4.44Å; I167-Q171 VanDerWaalsContact O-CG 3.31Å; I167-Q171 WeakPolarHBondContact O-CG 3.35Å; I167-Q171 PolarHBondContact O-N 3.36Å; I167-F290 HydrophobicContact CD1-CD2 4.4Å; I167-F290 HydrophobicContact CD1-CE2 4.32Å; I167-F290 HydrophobicContact CD1-CZ 4.42Å; I167-F290 HydrophobicContact CG2-CD1 4.15Å; I167-F290 HydrophobicContact CG2-CE1 4.38Å |
| 168 | L | 95.9 | Very high | 93.3 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -44 | -179.6 | 179.3 | 58.9 | 0 | 0 | 0 | 112.1 | V164 I165 A170 Q171 I172 I310 V314 | V164-L168 PolarHBondContact O-N 3.36Å; I165-L168 PolarHBondContact O-N 2.57Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-A170 PolarHBondContact O-N 2.87Å; L168-Q171 PolarHBondContact O-N 2.69Å; L168-I172 HydrophobicContact CD1-CD1 4.08Å; L168-I172 HydrophobicContact CD1-CG1 4.31Å; L168-I172 HydrophobicContact CG-CD1 3.98Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.29Å; L168-I172 PolarHBondContact O-N 2.97Å; L168-I310 HydrophobicContact CD1-CG2 4.13Å; L168-V314 HydrophobicContact CD1-CG2 3.9Å; L168-V314 HydrophobicContact CD2-CG2 4.39Å |
| 169 | I | 96.9 | Very high | 93.6 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 175.8 | -68.8 | 168.4 | 0 | 0 | 0 | 110.5 | L23 Y27 I165 G166 I167 Q171 I172 F173 | L23-I169 HydrophobicContact CD1-CD1 4.12Å; Y27-I169 HydrophobicContact CD2-CG2 4.11Å; Y27-I169 HydrophobicContact CE2-CG2 4.1Å; I165-I169 HydrophobicContact CG2-CD1 3.71Å; I165-I169 HydrophobicContact CG2-CG1 4.27Å; I165-I169 VanDerWaalsContact O-CG1 3.3Å; I165-I169 WeakPolarHBondContact O-CG1 3.34Å; I165-I169 PolarHBondContact O-N 3.43Å; G166-I169 PolarHBondContact O-N 3.48Å; I167-I169 PolarHBondContact O-N 3.36Å; I169-Q171 VanDerWaalsContact C-N 3.33Å; I169-Q171 PolarHBondContact O-N 2.64Å; I169-I172 PolarHBondContact O-N 3.39Å; I169-F173 HydrophobicContact CG2-CD2 3.94Å; I169-F173 HydrophobicContact CG2-CE1 4.29Å; I169-F173 HydrophobicContact CG2-CE2 3.67Å; I169-F173 HydrophobicContact CG2-CG 4.35Å; I169-F173 HydrophobicContact CG2-CZ 3.87Å; I169-F173 WeakPolarHBondContact O-CG 3.16Å; I169-F173 PolarHBondContact O-N 2.91Å |
| 170 | A | 96.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y27 V31 G166 I167 L168 G174 | Y27-A170 HydrophobicContact CD2-CB 3.62Å; Y27-A170 HydrophobicContact CE2-CB 3.84Å; Y27-A170 HydrophobicContact CG-CB 4.07Å; Y27-A170 WeakPolarHBondContact O-CB 3.18Å; V31-A170 HydrophobicContact CB-CB 3.96Å; G166-A170 WeakPolarHBondContact O-CB 3.37Å; G166-A170 PolarHBondContact O-N 3.39Å; I167-A170 WeakPolarHBondContact O-CB 3.48Å; I167-A170 PolarHBondContact O-N 3.2Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-A170 PolarHBondContact O-N 2.87Å; A170-G174 PolarHBondContact O-N 3.45Å |
| 171 | Q | 94.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 176.2 | -69.2 | 171.7 | -21.4 | 0 | 0 | 112.2 | I167 L168 I169 G174 T309 I310 G313 | I167-Q171 HydrophobicContact CG2-CG 4.44Å; I167-Q171 VanDerWaalsContact O-CG 3.31Å; I167-Q171 WeakPolarHBondContact O-CG 3.35Å; I167-Q171 PolarHBondContact O-N 3.36Å; L168-Q171 PolarHBondContact O-N 2.69Å; I169-Q171 VanDerWaalsContact C-N 3.33Å; I169-Q171 PolarHBondContact O-N 2.64Å; Q171-G174 PolarHBondContact O-N 3.48Å; Q171-T309 HydrophobicContact CG-CG2 3.88Å; Q171-T309 PolarHBondContact NE2-O 3.14Å; Q171-T309 PolarHBondContact OE1-O 2.93Å; Q171-I310 HydrophobicContact CB-CG1 3.89Å; Q171-G313 VanDerWaalsContact OE1-CA 3.27Å |
| 172 | I | 96.1 | Very high | 94.3 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 32% | 0.318 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.1 | -49.9 | 176.2 | -68.1 | 166.7 | 0 | 0 | 0 | 110 | L168 I169 G174 L175 I178 I310 | L168-I172 HydrophobicContact CD1-CD1 4.08Å; L168-I172 HydrophobicContact CD1-CG1 4.31Å; L168-I172 HydrophobicContact CG-CD1 3.98Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.29Å; L168-I172 PolarHBondContact O-N 2.97Å; I169-I172 PolarHBondContact O-N 3.39Å; I172-G174 PolarHBondContact O-N 2.98Å; I172-L175 VanDerWaalsContact O-CB 3.29Å; I172-L175 WeakPolarHBondContact O-CB 3.43Å; I172-L175 WeakPolarHBondContact O-CD1 3.34Å; I172-L175 VanDerWaalsContact O-CG 3.27Å; I172-L175 WeakPolarHBondContact O-CG 3.28Å; I172-L175 PolarHBondContact O-N 3.41Å; I172-I178 HydrophobicContact CG2-CD1 4Å; I172-I178 WeakPolarHBondContact O-CD1 3.42Å; I172-I310 HydrophobicContact CG1-CG2 4.29Å |
| 173 | F | 96.6 | Very high | 94.3 | Very high | 51 Ų | 51 | 45 Ų | 45 | 22% | 0.224 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.4 | -26 | 179 | -69.8 | -3.2 | 0 | 0 | 0 | 112.9 | Y27 I169 L175 I178 M179 G180 L188 F191 | Y27-F173 AromaticContact CE2-CD2 3.96Å; Y27-F173 HydrophobicContact CE2-CD2 3.96Å; I169-F173 HydrophobicContact CG2-CD2 3.94Å; I169-F173 HydrophobicContact CG2-CE1 4.29Å; I169-F173 HydrophobicContact CG2-CE2 3.67Å; I169-F173 HydrophobicContact CG2-CG 4.35Å; I169-F173 HydrophobicContact CG2-CZ 3.87Å; I169-F173 WeakPolarHBondContact O-CG 3.16Å; I169-F173 PolarHBondContact O-N 2.91Å; F173-L175 PolarHBondContact O-N 3.03Å; F173-I178 HydrophobicContact CB-CG2 4.45Å; F173-I178 HydrophobicContact CD1-CG2 4.15Å; F173-M179 PolarHBondContact O-N 3.48Å; F173-G180 PolarHBondContact O-N 2.88Å; F173-L188 HydrophobicContact CB-CD1 3.48Å; F173-L188 VanDerWaalsContact CB-CD1 3.48Å; F173-F191 HydrophobicContact CD2-CD1 4.33Å; F173-F191 HydrophobicContact CD2-CD2 4.43Å; F173-F191 HydrophobicContact CD2-CE1 4.42Å; F173-F191 HydrophobicContact CD2-CE2 4.5Å; F173-F191 HydrophobicContact CD2-CG 4.37Å; F173-F191 HydrophobicContact CE2-CD1 4.04Å; F173-F191 HydrophobicContact CE2-CD2 4.02Å; F173-F191 AromaticContact CE2-CE1 3.7Å; F173-F191 HydrophobicContact CE2-CE1 3.7Å; F173-F191 AromaticContact CE2-CE2 3.67Å; F173-F191 HydrophobicContact CE2-CE2 3.67Å; F173-F191 HydrophobicContact CE2-CG 4.22Å; F173-F191 AromaticContact CE2-CZ 3.53Å; F173-F191 HydrophobicContact CE2-CZ 3.53Å; F173-F191 HydrophobicContact CZ-CE2 4.42Å; F173-F191 HydrophobicContact CZ-CZ 4.24Å |
| 174 | G | 94.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -1.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A34 A170 Q171 I172 G180 | A34-G174 WeakPolarHBondContact CB-O 3.46Å; A170-G174 PolarHBondContact O-N 3.45Å; Q171-G174 PolarHBondContact O-N 3.48Å; I172-G174 PolarHBondContact O-N 2.98Å; G174-G180 WeakPolarHBondContact O-CA 3.16Å |
| 175 | L | 93.1 | Very high | 94.7 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -64.8 | 142.1 | 169.2 | -72.8 | 167.5 | 0 | 0 | 0 | 111 | I172 F173 M177 I178 M179 G180 V306 Y307 I310 | I172-L175 VanDerWaalsContact O-CB 3.29Å; I172-L175 WeakPolarHBondContact O-CB 3.43Å; I172-L175 WeakPolarHBondContact O-CD1 3.34Å; I172-L175 VanDerWaalsContact O-CG 3.27Å; I172-L175 WeakPolarHBondContact O-CG 3.28Å; I172-L175 PolarHBondContact O-N 3.41Å; F173-L175 PolarHBondContact O-N 3.03Å; L175-M177 HydrophobicContact CB-CG 4.17Å; L175-M177 PolarHBondContact O-N 2.81Å; L175-I178 HydrophobicContact CB-CD1 4.46Å; L175-I178 HydrophobicContact CB-CG1 4.25Å; L175-I178 HydrophobicContact CD1-CD1 4.28Å; L175-I178 PolarHBondContact O-N 3.4Å; L175-M179 PolarHBondContact O-N 2.92Å; L175-G180 PolarHBondContact O-N 3.16Å; L175-V306 HydrophobicContact CD2-CB 4.46Å; L175-V306 HydrophobicContact CD2-CG1 3.67Å; L175-V306 HydrophobicContact CG-CG1 4.42Å; L175-Y307 HydrophobicContact CD2-CE1 4.27Å; L175-Y307 HydrophobicContact CD2-CE2 4.27Å; L175-I310 HydrophobicContact CD1-CD1 3.88Å; L175-I310 HydrophobicContact CD2-CD1 3.7Å; L175-I310 HydrophobicContact CG-CD1 3.75Å |
| 176 | E | 90.6 | Very high | 94.7 | Very high | 153 Ų | 153 | 46.1 Ų | 46.1 | 72% | 0.715 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -38.9 | 179.2 | -173.1 | 178 | -179.5 | 0 | 0 | 112.3 | I178 G180 N181 | E176-I178 PolarHBondContact O-N 2.88Å; E176-G180 WeakPolarHBondContact CA-O 3.11Å; E176-N181 HydrophobicContact CG-CB 4.12Å; E176-N181 PolarHBondContact O-ND2 3.32Å |
| 177 | M | 91.6 | Very high | 94.7 | Very high | 152 Ų | 152 | 50.3 Ų | 50.3 | 75% | 0.749 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -9.7 | 177.7 | 70 | -170 | -69.5 | 0 | 0 | 114.7 | L175 | L175-M177 HydrophobicContact CB-CG 4.17Å; L175-M177 PolarHBondContact O-N 2.81Å |
| 178 | I | 94.3 | Very high | 94.8 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -83.5 | -178.1 | -55.8 | -173.6 | 0 | 0 | 0 | 110.3 | I172 F173 L175 E176 | I172-I178 HydrophobicContact CG2-CD1 4Å; I172-I178 WeakPolarHBondContact O-CD1 3.42Å; F173-I178 HydrophobicContact CB-CG2 4.45Å; F173-I178 HydrophobicContact CD1-CG2 4.15Å; L175-I178 HydrophobicContact CB-CD1 4.46Å; L175-I178 HydrophobicContact CB-CG1 4.25Å; L175-I178 HydrophobicContact CD1-CD1 4.28Å; L175-I178 PolarHBondContact O-N 3.4Å; E176-I178 PolarHBondContact O-N 2.88Å |
| 179 | M | 94.3 | Very high | 94.8 | Very high | 34 Ų | 34 | 48.7 Ų | 48.7 | 17% | 0.167 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | -7.5 | 179.5 | -64.5 | 174.5 | -171.2 | 0 | 0 | 113.4 | F173 L175 N181 F184 W185 L187 L188 | F173-M179 PolarHBondContact O-N 3.48Å; L175-M179 PolarHBondContact O-N 2.92Å; M179-N181 PolarHBondContact O-N 3.34Å; M179-F184 HydrophobicContact CB-CB 4.16Å; M179-F184 HydrophobicContact CG-CB 4.37Å; M179-F184 CarbonylContact O-C 3.57Å; M179-W185 WeakPolarHBondContact O-CA 3.24Å; M179-W185 PolarHBondContact O-N 3.46Å; M179-W185 VanDerWaalsContact O-N 3.11Å; M179-L187 HydrophobicContact CE-CD2 3.9Å; M179-L187 HydrophobicContact CE-CG 4.22Å; M179-L187 HydrophobicContact SD-CD2 4.17Å; M179-L187 HydrophobicContact SD-CG 4.03Å; M179-L188 HydrophobicContact CB-CB 3.82Å; M179-L188 HydrophobicContact CB-CD1 4.13Å; M179-L188 HydrophobicContact CB-CG 4.47Å |
| 180 | G | 93.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 47 Ų | 47 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | trans | -80.4 | 45.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I38 F173 G174 L175 E176 | I38-G180 VanDerWaalsContact CD1-C 3.48Å; I38-G180 WeakPolarHBondContact CD1-O 3.39Å; F173-G180 PolarHBondContact O-N 2.88Å; G174-G180 WeakPolarHBondContact O-CA 3.16Å; L175-G180 PolarHBondContact O-N 3.16Å; E176-G180 WeakPolarHBondContact CA-O 3.11Å | ||
| 181 | N | 93.7 | Very high | 94.8 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -127.5 | 171.7 | 179.1 | 59.6 | 60.6 | 0 | 0 | 0 | 110.9 | E176 M179 E183 F184 W185 | E176-N181 HydrophobicContact CG-CB 4.12Å; E176-N181 PolarHBondContact O-ND2 3.32Å; M179-N181 PolarHBondContact O-N 3.34Å; N181-E183 PolarHBondContact O-N 2.92Å; N181-E183 VanDerWaalsContact O-N 3.15Å; N181-E183 PolarHBondContact OD1-N 2.87Å; N181-E183 VanDerWaalsContact OD1-N 3.14Å; N181-F184 PolarHBondContact O-N 3.05Å; N181-F184 WeakPolarHBondContact OD1-CD2 3.26Å; N181-F184 PolarHBondContact OD1-N 3.26Å; N181-W185 WeakPolarHBondContact O-CB 3.27Å; N181-W185 PolarHBondContact O-N 3.46Å |
| 182 | A | 92.9 | Very high | 94.7 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 55% | 0.554 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K113 | K113-A182 PolarHBondContact NZ-O 3.43Š|
| 183 | E | 93.7 | Very high | 94.7 | Very high | 136 Ų | 136 | 50.9 Ų | 50.9 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -48.8 | -177.8 | -168.5 | 173.3 | -177.1 | 0 | 0 | 112.1 | N181 P186 | N181-E183 PolarHBondContact O-N 2.92Å; N181-E183 VanDerWaalsContact O-N 3.15Å; N181-E183 PolarHBondContact OD1-N 2.87Å; N181-E183 VanDerWaalsContact OD1-N 3.14Å; E183-P186 WeakPolarHBondContact O-CD 3.28Å |
| 184 | F | 96.3 | Very high | 94.8 | Very high | 87 Ų | 87 | 52.4 Ų | 52.4 | 38% | 0.382 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -1.1 | -166.6 | -64.9 | -71.2 | 0 | 0 | 0 | 115.6 | M179 N181 P186 L187 L188 | M179-F184 HydrophobicContact CB-CB 4.16Å; M179-F184 HydrophobicContact CG-CB 4.37Å; M179-F184 CarbonylContact O-C 3.57Å; N181-F184 PolarHBondContact O-N 3.05Å; N181-F184 WeakPolarHBondContact OD1-CD2 3.26Å; N181-F184 PolarHBondContact OD1-N 3.26Å; F184-P186 VanDerWaalsContact C-N 3.29Å; F184-L187 HydrophobicContact CD1-CD2 4.37Å; F184-L187 WeakPolarHBondContact O-CA 3.4Å; F184-L187 WeakPolarHBondContact O-CB 3.3Å; F184-L187 PolarHBondContact O-N 3.33Å; F184-L188 PolarHBondContact O-N 2.93Å |
| 185 | W | 96.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.6 | -30.6 | 177 | 77.7 | -95.6 | 0 | 0 | 0 | 115 | P35 I38 I39 F42 S112 K113 L121 M179 N181 L187 L188 L189 | P35-W185 HydrophobicContact CB-CB 4.39Å; I38-W185 HydrophobicContact CG2-CB 4.22Å; I38-W185 HydrophobicContact CG2-CG 3.89Å; I39-W185 HydrophobicContact CD1-CE3 3.9Å; I39-W185 HydrophobicContact CD1-CZ3 4.25Å; I39-W185 HydrophobicContact CG1-CD2 3.9Å; I39-W185 HydrophobicContact CG1-CE3 3.62Å; I39-W185 HydrophobicContact CG1-CG 4.44Å; I39-W185 HydrophobicContact CG1-CZ3 3.97Å; F42-W185 HydrophobicContact CB-CZ2 3.98Å; F42-W185 AromaticContact CD1-CH2 3.72Å; F42-W185 HydrophobicContact CD1-CH2 3.72Å; F42-W185 AromaticContact CD1-CZ2 3.59Å; F42-W185 HydrophobicContact CD1-CZ2 3.59Å; F42-W185 HydrophobicContact CD2-CZ2 4.02Å; F42-W185 AromaticContact CE1-CH2 3.88Å; F42-W185 HydrophobicContact CE1-CH2 3.88Å; F42-W185 HydrophobicContact CE1-CZ2 4.06Å; F42-W185 HydrophobicContact CE2-CZ2 4.44Å; F42-W185 HydrophobicContact CG-CH2 4.18Å; F42-W185 AromaticContact CG-CZ2 3.56Å; F42-W185 HydrophobicContact CG-CZ2 3.56Å; F42-W185 HydrophobicContact CZ-CH2 4.48Å; F42-W185 HydrophobicContact CZ-CZ2 4.45Å; S112-W185 WeakPolarHBondContact OG-CH2 3.38Å; K113-W185 HydrophobicContact CB-CH2 4.38Å; K113-W185 HydrophobicContact CB-CZ2 3.79Å; K113-W185 HydrophobicContact CD-CZ2 4.33Å; K113-W185 HydrophobicContact CG-CZ2 4.17Å; L121-W185 HydrophobicContact CD1-CZ3 4.42Å; M179-W185 WeakPolarHBondContact O-CA 3.24Å; M179-W185 PolarHBondContact O-N 3.46Å; M179-W185 VanDerWaalsContact O-N 3.11Å; N181-W185 WeakPolarHBondContact O-CB 3.27Å; N181-W185 PolarHBondContact O-N 3.46Å; W185-L187 VanDerWaalsContact C-N 3.31Å; W185-L187 PolarHBondContact O-N 2.9Å; W185-L188 WeakPolarHBondContact O-CB 3.43Å; W185-L188 PolarHBondContact O-N 3.36Å; W185-L189 HydrophobicContact CE3-CD1 3.86Å; W185-L189 HydrophobicContact CE3-CG 4.36Å; W185-L189 HydrophobicContact CZ3-CD1 3.69Å; W185-L189 PolarHBondContact O-N 2.94Å |
| 186 | P | 96.8 | Very high | 95.1 | Very high | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.6 | -35.1 | 174.3 | -18.5 | 33.6 | 0 | 0 | 0 | 111.3 | G110 K113 E183 F184 L189 G190 | G110-P186 WeakPolarHBondContact CA-O 3.42Å; G110-P186 VanDerWaalsContact O-CB 3.23Å; G110-P186 WeakPolarHBondContact O-CB 3.36Å; K113-P186 HydrophobicContact CB-CB 4.38Å; K113-P186 HydrophobicContact CB-CG 3.59Å; K113-P186 HydrophobicContact CD-CG 3.7Å; K113-P186 HydrophobicContact CG-CG 4.27Å; E183-P186 WeakPolarHBondContact O-CD 3.28Å; F184-P186 VanDerWaalsContact C-N 3.29Å; P186-L189 PolarHBondContact O-N 3.28Å; P186-G190 PolarHBondContact O-N 3.16Å |
| 187 | L | 96.4 | Very high | 95.4 | Very high | 88 Ų | 88 | 46.8 Ų | 46.8 | 46% | 0.461 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.5 | -37.9 | 173.8 | -178.8 | 64 | 0 | 0 | 0 | 111.2 | M179 F184 W185 L189 G190 F191 | M179-L187 HydrophobicContact CE-CD2 3.9Å; M179-L187 HydrophobicContact CE-CG 4.22Å; M179-L187 HydrophobicContact SD-CD2 4.17Å; M179-L187 HydrophobicContact SD-CG 4.03Å; F184-L187 HydrophobicContact CD1-CD2 4.37Å; F184-L187 WeakPolarHBondContact O-CA 3.4Å; F184-L187 WeakPolarHBondContact O-CB 3.3Å; F184-L187 PolarHBondContact O-N 3.33Å; W185-L187 VanDerWaalsContact C-N 3.31Å; W185-L187 PolarHBondContact O-N 2.9Å; L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 PolarHBondContact O-N 3.44Å; L187-G190 CarbonylContact O-C 3.18Å; L187-G190 PolarHBondContact O-N 3.48Å; L187-G190 VanDerWaalsContact O-N 3.15Å; L187-F191 PolarHBondContact O-N 3.25Å |
| 188 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.1 | -46.2 | 173.4 | 179.4 | 65.6 | 0 | 0 | 0 | 111.1 | Y27 V31 P35 F173 M179 F184 W185 | Y27-L188 WeakPolarHBondContact CE1-O 3.35Å; Y27-L188 WeakPolarHBondContact OH-CD1 3.22Å; Y27-L188 PolarHBondContact OH-O 3.37Å; V31-L188 HydrophobicContact CG2-CD1 3.88Å; V31-L188 HydrophobicContact CG2-CD2 4.11Å; V31-L188 HydrophobicContact CG2-CG 3.53Å; P35-L188 HydrophobicContact CB-CD2 4.16Å; P35-L188 HydrophobicContact CG-CD2 3.8Å; F173-L188 HydrophobicContact CB-CD1 3.48Å; F173-L188 VanDerWaalsContact CB-CD1 3.48Å; M179-L188 HydrophobicContact CB-CB 3.82Å; M179-L188 HydrophobicContact CB-CD1 4.13Å; M179-L188 HydrophobicContact CB-CG 4.47Å; F184-L188 PolarHBondContact O-N 2.93Å; W185-L188 WeakPolarHBondContact O-CB 3.43Å; W185-L188 PolarHBondContact O-N 3.36Å |
| 189 | L | 96.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.8 | -33.1 | 175.5 | -60.4 | -175.9 | 0 | 0 | 0 | 112.9 | V31 I32 I39 M109 L121 W185 P186 L187 F191 L192 | V31-L189 HydrophobicContact CB-CD2 4.4Å; V31-L189 HydrophobicContact CG1-CD2 3.7Å; V31-L189 HydrophobicContact CG2-CD2 3.87Å; I32-L189 HydrophobicContact CD1-CD2 4.5Å; I39-L189 HydrophobicContact CD1-CD1 4.29Å; M109-L189 HydrophobicContact CB-CB 3.82Å; M109-L189 HydrophobicContact CB-CD1 4.29Å; M109-L189 HydrophobicContact SD-CB 4.36Å; L121-L189 HydrophobicContact CD1-CD1 3.38Å; W185-L189 HydrophobicContact CE3-CD1 3.86Å; W185-L189 HydrophobicContact CE3-CG 4.36Å; W185-L189 HydrophobicContact CZ3-CD1 3.69Å; W185-L189 PolarHBondContact O-N 2.94Å; P186-L189 PolarHBondContact O-N 3.28Å; L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 PolarHBondContact O-N 3.44Å; L189-F191 VanDerWaalsContact C-N 3.28Å; L189-F191 PolarHBondContact O-N 3.14Å; L189-L192 WeakPolarHBondContact O-CD2 3.41Å |
| 190 | G | 95.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 12% | 0.124 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.3 | -13.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P186 L187 L192 F193 | P186-G190 PolarHBondContact O-N 3.16Å; L187-G190 CarbonylContact O-C 3.18Å; L187-G190 PolarHBondContact O-N 3.48Å; L187-G190 VanDerWaalsContact O-N 3.15Å; G190-L192 PolarHBondContact O-N 3.06Å; G190-F193 WeakPolarHBondContact O-CB 3.5Å; G190-F193 PolarHBondContact O-N 3.44Å |
| 191 | F | 95.9 | Very high | 96.3 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 17% | 0.167 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28.8 | -173.7 | -178.9 | -98.3 | 0 | 0 | 0 | 113.4 | Y27 F173 L187 L189 F193 I194 P195 | Y27-F191 HydrophobicContact CD2-CD1 4.41Å; Y27-F191 HydrophobicContact CE1-CB 4.15Å; Y27-F191 HydrophobicContact CE1-CD1 4.22Å; Y27-F191 AromaticContact CE2-CD1 3.79Å; Y27-F191 HydrophobicContact CE2-CD1 3.79Å; Y27-F191 HydrophobicContact CE2-CE1 4.42Å; Y27-F191 AromaticContact CZ-CD1 3.69Å; Y27-F191 VanDerWaalsContact OH-CB 3.32Å; Y27-F191 WeakPolarHBondContact OH-CB 3.39Å; F173-F191 HydrophobicContact CD2-CD1 4.33Å; F173-F191 HydrophobicContact CD2-CD2 4.43Å; F173-F191 HydrophobicContact CD2-CE1 4.42Å; F173-F191 HydrophobicContact CD2-CE2 4.5Å; F173-F191 HydrophobicContact CD2-CG 4.37Å; F173-F191 HydrophobicContact CE2-CD1 4.04Å; F173-F191 HydrophobicContact CE2-CD2 4.02Å; F173-F191 AromaticContact CE2-CE1 3.7Å; F173-F191 HydrophobicContact CE2-CE1 3.7Å; F173-F191 AromaticContact CE2-CE2 3.67Å; F173-F191 HydrophobicContact CE2-CE2 3.67Å; F173-F191 HydrophobicContact CE2-CG 4.22Å; F173-F191 AromaticContact CE2-CZ 3.53Å; F173-F191 HydrophobicContact CE2-CZ 3.53Å; F173-F191 HydrophobicContact CZ-CE2 4.42Å; F173-F191 HydrophobicContact CZ-CZ 4.24Å; L187-F191 PolarHBondContact O-N 3.25Å; L189-F191 VanDerWaalsContact C-N 3.28Å; L189-F191 PolarHBondContact O-N 3.14Å; F191-F193 PolarHBondContact O-N 3.18Å; F191-I194 HydrophobicContact CD2-CD1 3.82Å; F191-I194 HydrophobicContact CE2-CB 4.43Å; F191-I194 HydrophobicContact CE2-CD1 3.57Å; F191-I194 HydrophobicContact CZ-CD1 4.4Å; F191-I194 PolarHBondContact O-N 3.08Å; F191-P195 WeakPolarHBondContact O-CD 3.27Å |
| 192 | L | 93.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -16.2 | 177.4 | 70.9 | 115.7 | 0 | 0 | 0 | 114.1 | A102 A106 M109 V128 L189 G190 I194 P195 S196 | A102-L192 HydrophobicContact CB-CD1 3.8Å; A102-L192 WeakPolarHBondContact O-CD1 3.16Å; A106-L192 HydrophobicContact CB-CD1 3.93Å; A106-L192 HydrophobicContact CB-CD2 4.34Å; A106-L192 HydrophobicContact CB-CG 3.85Å; M109-L192 HydrophobicContact CE-CD2 3.36Å; V128-L192 HydrophobicContact CG2-CD1 4.32Å; V128-L192 HydrophobicContact CG2-CD2 4.38Å; L189-L192 WeakPolarHBondContact O-CD2 3.41Å; G190-L192 PolarHBondContact O-N 3.06Å; L192-I194 VanDerWaalsContact C-N 3.31Å; L192-I194 PolarHBondContact O-N 2.86Å; L192-P195 WeakPolarHBondContact O-CD 3.31Å; L192-P195 WeakPolarHBondContact O-CG 3.45Å; L192-S196 VanDerWaalsContact O-CB 3.28Å; L192-S196 WeakPolarHBondContact O-CB 3.47Å; L192-S196 PolarHBondContact O-N 3.11Å; L192-S196 VanDerWaalsContact O-N 3.13Å; L192-S196 PolarHBondContact O-OG 3.42Å |
| 193 | F | 96.3 | Very high | 96.6 | Very high | 110 Ų | 110 | 43 Ų | 43 | 48% | 0.482 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.2 | -45.8 | 168.5 | 178.8 | -96.4 | 0 | 0 | 0 | 111.9 | F103 A106 G190 F191 S196 V197 | F103-F193 AromaticContact CD1-CD2 3.56Å; F103-F193 HydrophobicContact CD1-CD2 3.56Å; F103-F193 AromaticContact CD1-CE2 3.77Å; F103-F193 HydrophobicContact CD1-CE2 3.77Å; F103-F193 AromaticContact CE1-CD2 3.91Å; F103-F193 HydrophobicContact CE1-CD2 3.91Å; F103-F193 AromaticContact CE1-CE2 3.93Å; F103-F193 HydrophobicContact CE1-CE2 3.93Å; A106-F193 HydrophobicContact CB-CB 3.97Å; G190-F193 WeakPolarHBondContact O-CB 3.5Å; G190-F193 PolarHBondContact O-N 3.44Å; F191-F193 PolarHBondContact O-N 3.18Å; F193-S196 WeakPolarHBondContact O-CB 3.23Å; F193-S196 PolarHBondContact O-N 3.11Å; F193-V197 HydrophobicContact CD1-CG2 4.04Å; F193-V197 HydrophobicContact CD2-CG2 4.45Å; F193-V197 HydrophobicContact CE1-CG2 3.57Å; F193-V197 HydrophobicContact CE2-CG2 4.01Å; F193-V197 HydrophobicContact CG-CG2 4.45Å; F193-V197 HydrophobicContact CZ-CG2 3.54Å; F193-V197 WeakPolarHBondContact O-CG2 3.29Å; F193-V197 PolarHBondContact O-N 2.95Å |
| 194 | I | 97.4 | Very high | 96.7 | Very high | 83 Ų | 83 | 39.9 Ų | 39.9 | 43% | 0.426 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.2 | -57.2 | -176.4 | -66.9 | 169.5 | 0 | 0 | 0 | 112.2 | F191 L192 S196 V197 I198 | F191-I194 HydrophobicContact CD2-CD1 3.82Å; F191-I194 HydrophobicContact CE2-CB 4.43Å; F191-I194 HydrophobicContact CE2-CD1 3.57Å; F191-I194 HydrophobicContact CZ-CD1 4.4Å; F191-I194 PolarHBondContact O-N 3.08Å; L192-I194 VanDerWaalsContact C-N 3.31Å; L192-I194 PolarHBondContact O-N 2.86Å; I194-S196 PolarHBondContact O-N 2.95Å; I194-V197 PolarHBondContact O-N 3.12Å; I194-I198 HydrophobicContact CG2-CD1 3.91Å; I194-I198 WeakPolarHBondContact O-CG1 3.44Å; I194-I198 PolarHBondContact O-N 3.18Å |
| 195 | P | 96.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -30 | 176.7 | 23.6 | -31.6 | 0 | 0 | 0 | 112.2 | I20 Q24 F191 L192 Q199 | I20-P195 HydrophobicContact CG2-CB 3.7Å; I20-P195 WeakPolarHBondContact CG2-O 3.35Å; Q24-P195 HydrophobicContact CG-CB 3.88Å; Q24-P195 HydrophobicContact CG-CG 3.8Å; F191-P195 WeakPolarHBondContact O-CD 3.27Å; L192-P195 WeakPolarHBondContact O-CD 3.31Å; L192-P195 WeakPolarHBondContact O-CG 3.45Å; P195-Q199 VanDerWaalsContact O-CB 3.22Å; P195-Q199 WeakPolarHBondContact O-CB 3.43Å; P195-Q199 PolarHBondContact O-N 3.48Å |
| 196 | S | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | 174.3 | -64.2 | 0 | 0 | 0 | 0 | 113 | Q24 A102 F103 L192 F193 I194 S200 | Q24-S196 PolarHBondContact NE2-OG 2.86Å; Q24-S196 PolarHBondContact OE1-OG 3.22Å; A102-S196 WeakPolarHBondContact CB-OG 3.47Å; F103-S196 VanDerWaalsContact CE1-CB 3.48Å; L192-S196 VanDerWaalsContact O-CB 3.28Å; L192-S196 WeakPolarHBondContact O-CB 3.47Å; L192-S196 PolarHBondContact O-N 3.11Å; L192-S196 VanDerWaalsContact O-N 3.13Å; L192-S196 PolarHBondContact O-OG 3.42Å; F193-S196 WeakPolarHBondContact O-CB 3.23Å; F193-S196 PolarHBondContact O-N 3.11Å; I194-S196 PolarHBondContact O-N 2.95Å; S196-S200 VanDerWaalsContact O-CB 3.27Å; S196-S200 WeakPolarHBondContact O-CB 3.33Å; S196-S200 PolarHBondContact O-N 3.37Å; S196-S200 PolarHBondContact O-OG 3.34Å |
| 197 | V | 98.1 | Very high | 96.5 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.3 | -49.8 | 173.6 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | F103 F193 I194 Q199 S200 I201 | F103-V197 HydrophobicContact CE1-CG2 3.66Å; F103-V197 HydrophobicContact CZ-CG2 4.03Å; F193-V197 HydrophobicContact CD1-CG2 4.04Å; F193-V197 HydrophobicContact CD2-CG2 4.45Å; F193-V197 HydrophobicContact CE1-CG2 3.57Å; F193-V197 HydrophobicContact CE2-CG2 4.01Å; F193-V197 HydrophobicContact CG-CG2 4.45Å; F193-V197 HydrophobicContact CZ-CG2 3.54Å; F193-V197 WeakPolarHBondContact O-CG2 3.29Å; F193-V197 PolarHBondContact O-N 2.95Å; I194-V197 PolarHBondContact O-N 3.12Å; V197-Q199 VanDerWaalsContact C-N 3.33Å; V197-Q199 PolarHBondContact O-N 3.34Å; V197-S200 PolarHBondContact O-N 3.24Å; V197-S200 VanDerWaalsContact O-N 3.13Å; V197-I201 HydrophobicContact CG1-CD1 3.74Å; V197-I201 HydrophobicContact CG1-CG1 4.45Å; V197-I201 WeakPolarHBondContact O-CG1 3.23Å; V197-I201 PolarHBondContact O-N 2.98Å |
| 198 | I | 97.9 | Very high | 96.5 | Very high | 82 Ų | 82 | 37.2 Ų | 37.2 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57 | -49.2 | 179 | -65.8 | 168.8 | 0 | 0 | 0 | 110 | I20 I194 S200 I201 L202 | I20-I198 HydrophobicContact CD1-CG2 3.96Å; I194-I198 HydrophobicContact CG2-CD1 3.91Å; I194-I198 WeakPolarHBondContact O-CG1 3.44Å; I194-I198 PolarHBondContact O-N 3.18Å; I198-S200 VanDerWaalsContact C-N 3.32Å; I198-S200 PolarHBondContact O-N 3.46Å; I198-I201 PolarHBondContact O-N 3.21Å; I198-L202 HydrophobicContact CG2-CD1 3.69Å; I198-L202 HydrophobicContact CG2-CG 4.33Å; I198-L202 WeakPolarHBondContact O-CB 3.38Å; I198-L202 VanDerWaalsContact O-CG 3.3Å; I198-L202 WeakPolarHBondContact O-CG 3.42Å; I198-L202 PolarHBondContact O-N 2.9Å |
| 199 | Q | 97.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -38.8 | 178.8 | -170.2 | 176.2 | 41.8 | 0 | 0 | 111.9 | T17 I20 N99 Y131 P195 V197 I201 L202 L203 | T17-Q199 HydrophobicContact CG2-CG 4.19Å; T17-Q199 PolarHBondContact O-NE2 3.23Å; I20-Q199 HydrophobicContact CB-CB 4.2Å; I20-Q199 HydrophobicContact CB-CG 4.27Å; I20-Q199 HydrophobicContact CD1-CB 4.03Å; I20-Q199 HydrophobicContact CD1-CG 4.44Å; I20-Q199 HydrophobicContact CG2-CB 3.93Å; I20-Q199 HydrophobicContact CG2-CG 4.45Å; N99-Q199 PolarHBondContact OD1-OE1 3.3Å; N99-Q199 VanDerWaalsContact OD1-OE1 3.05Å; Y131-Q199 PolarHBondContact OH-OE1 2.89Å; P195-Q199 VanDerWaalsContact O-CB 3.22Å; P195-Q199 WeakPolarHBondContact O-CB 3.43Å; P195-Q199 PolarHBondContact O-N 3.48Å; V197-Q199 VanDerWaalsContact C-N 3.33Å; V197-Q199 PolarHBondContact O-N 3.34Å; Q199-I201 VanDerWaalsContact C-N 3.33Å; Q199-I201 PolarHBondContact O-N 2.95Å; Q199-L202 PolarHBondContact O-N 2.96Å; Q199-L203 HydrophobicContact CG-CD1 3.73Å; Q199-L203 HydrophobicContact CG-CG 3.91Å; Q199-L203 VanDerWaalsContact O-CB 3.28Å; Q199-L203 WeakPolarHBondContact O-CB 3.32Å; Q199-L203 WeakPolarHBondContact O-CG 3.44Å; Q199-L203 PolarHBondContact O-N 3.24Å |
| 200 | S | 97.8 | Very high | 96 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.8 | -30.8 | 178.5 | -59 | 0 | 0 | 0 | 0 | 113.3 | N99 S196 V197 I198 P204 | N99-S200 WeakPolarHBondContact CB-OG 3.47Å; N99-S200 PolarHBondContact ND2-OG 3.04Å; S196-S200 VanDerWaalsContact O-CB 3.27Å; S196-S200 WeakPolarHBondContact O-CB 3.33Å; S196-S200 PolarHBondContact O-N 3.37Å; S196-S200 PolarHBondContact O-OG 3.34Å; V197-S200 PolarHBondContact O-N 3.24Å; V197-S200 VanDerWaalsContact O-N 3.13Å; I198-S200 VanDerWaalsContact C-N 3.32Å; I198-S200 PolarHBondContact O-N 3.46Å; S200-P204 WeakPolarHBondContact O-CD 3.48Å; S200-P204 WeakPolarHBondContact O-CG 3.42Å |
| 201 | I | 97.7 | Very high | 95.7 | Very high | 111 Ų | 111 | 37.8 Ų | 37.8 | 57% | 0.569 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -75.7 | -40.6 | 174.3 | -67.2 | 168.1 | 0 | 0 | 0 | 111 | V197 I198 Q199 P204 | V197-I201 HydrophobicContact CG1-CD1 3.74Å; V197-I201 HydrophobicContact CG1-CG1 4.45Å; V197-I201 WeakPolarHBondContact O-CG1 3.23Å; V197-I201 PolarHBondContact O-N 2.98Å; I198-I201 PolarHBondContact O-N 3.21Å; Q199-I201 VanDerWaalsContact C-N 3.33Å; Q199-I201 PolarHBondContact O-N 2.95Å; I201-P204 WeakPolarHBondContact O-CD 3.32Å |
| 202 | L | 97.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 36.2 Ų | 36.2 | 28% | 0.277 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -79.7 | -34 | -175.4 | -67.6 | 177.3 | 0 | 0 | 0 | 113.5 | T17 I20 I198 Q199 L205 C206 | T17-L202 HydrophobicContact CG2-CB 3.53Å; I20-L202 HydrophobicContact CD1-CD1 4.2Å; I198-L202 HydrophobicContact CG2-CD1 3.69Å; I198-L202 HydrophobicContact CG2-CG 4.33Å; I198-L202 WeakPolarHBondContact O-CB 3.38Å; I198-L202 VanDerWaalsContact O-CG 3.3Å; I198-L202 WeakPolarHBondContact O-CG 3.42Å; I198-L202 PolarHBondContact O-N 2.9Å; Q199-L202 PolarHBondContact O-N 2.96Å; L202-L205 WeakPolarHBondContact O-CB 3.37Å; L202-L205 PolarHBondContact O-N 3.11Å; L202-C206 PolarHBondContact O-N 3.35Å; L202-C206 PolarHBondContact O-SG 2.73Å |
| 203 | L | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -58.2 | -42.9 | -177.1 | -83.3 | 173.7 | 0 | 0 | 0 | 113.7 | T17 R92 M95 L96 Q199 L205 C206 | T17-L203 HydrophobicContact CG2-CB 4.48Å; T17-L203 HydrophobicContact CG2-CD2 3.79Å; T17-L203 HydrophobicContact CG2-CG 3.77Å; R92-L203 VanDerWaalsContact CD-O 3.31Å; R92-L203 WeakPolarHBondContact CD-O 3.37Å; R92-L203 HydrophobicContact CG-CD2 4.14Å; M95-L203 HydrophobicContact CB-CD1 3.77Å; M95-L203 HydrophobicContact CB-CD2 4.31Å; M95-L203 HydrophobicContact CE-CD2 3.83Å; L96-L203 HydrophobicContact CB-CD1 3.94Å; L96-L203 HydrophobicContact CD1-CB 4.29Å; L96-L203 HydrophobicContact CD1-CD1 4.29Å; Q199-L203 HydrophobicContact CG-CD1 3.73Å; Q199-L203 HydrophobicContact CG-CG 3.91Å; Q199-L203 VanDerWaalsContact O-CB 3.28Å; Q199-L203 WeakPolarHBondContact O-CB 3.32Å; Q199-L203 WeakPolarHBondContact O-CG 3.44Å; Q199-L203 PolarHBondContact O-N 3.24Å; L203-L205 PolarHBondContact O-N 3.29Å; L203-C206 VanDerWaalsContact O-CB 3.32Å; L203-C206 WeakPolarHBondContact O-CB 3.5Å; L203-C206 PolarHBondContact O-N 3.33Å |
| 204 | P | 96.1 | Very high | 94.9 | Very high | 70 Ų | 70 | 32.5 Ų | 32.5 | 46% | 0.455 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -57.9 | -29.8 | 175 | -28 | 35.8 | 0 | 0 | 0 | 114.4 | L96 S200 I201 C206 | L96-P204 HydrophobicContact CD2-CG 4.37Å; S200-P204 WeakPolarHBondContact O-CD 3.48Å; S200-P204 WeakPolarHBondContact O-CG 3.42Å; I201-P204 WeakPolarHBondContact O-CD 3.32Å; P204-C206 VanDerWaalsContact C-N 3.32Å |
| 205 | L | 95 | Very high | 94.3 | Very high | 102 Ų | 102 | 31 Ų | 31 | 53% | 0.534 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -77.7 | -21.6 | 177.1 | -54.1 | 177.4 | 0 | 0 | 0 | 112.3 | M13 L202 L203 | M13-L205 HydrophobicContact SD-CB 4.08Å; L202-L205 WeakPolarHBondContact O-CB 3.37Å; L202-L205 PolarHBondContact O-N 3.11Å; L203-L205 PolarHBondContact O-N 3.29Å |
| 206 | C | 95.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -77.4 | 140.3 | 177.9 | -61.7 | 0 | 0 | 0 | 0 | 111 | R92 L202 L203 P204 | R92-C206 WeakPolarHBondContact CD-O 3.36Å; R92-C206 PolarHBondContact NH1-O 2.96Å; R92-C206 VanDerWaalsContact NH1-O 3.1Å; L202-C206 PolarHBondContact O-N 3.35Å; L202-C206 PolarHBondContact O-SG 2.73Å; L203-C206 VanDerWaalsContact O-CB 3.32Å; L203-C206 WeakPolarHBondContact O-CB 3.5Å; L203-C206 PolarHBondContact O-N 3.33Å; P204-C206 VanDerWaalsContact C-N 3.32Å |
| 207 | P | 94.9 | Very high | 93.3 | Very high | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.104 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 151.5 | 170.5 | 24 | -34.3 | 0 | 0 | 0 | 112.6 | S14 Y142 V226 L230 | S14-P207 VanDerWaalsContact OG-CD 3.25Å; S14-P207 WeakPolarHBondContact OG-CD 3.34Å; S14-P207 WeakPolarHBondContact OG-CG 3.32Å; Y142-P207 WeakPolarHBondContact CE2-O 3.33Å; Y142-P207 PolarHBondContact OH-O 3.48Å; P207-V226 HydrophobicContact CB-CB 4.5Å; P207-V226 HydrophobicContact CB-CG1 3.43Å; P207-V226 VanDerWaalsContact CB-CG1 3.43Å; P207-V226 HydrophobicContact CB-CG2 4.3Å; P207-V226 HydrophobicContact CG-CG1 4.19Å; P207-L230 HydrophobicContact CG-CD1 4.27Å; P207-L230 HydrophobicContact CG-CD2 3.7Å; P207-L230 HydrophobicContact CG-CG 4.06Å |
| 208 | E | 95.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 158.1 | 164.2 | -172 | 55.8 | -89 | 0 | 0 | 110.1 | R91 R92 N93 P210 F212 L213 | R91-E208 PolarHBondContact N-OE1 3.44Å; R92-E208 WeakPolarHBondContact CB-OE1 3.21Å; R92-E208 WeakPolarHBondContact CB-OE2 3.42Å; R92-E208 PolarHBondContact N-OE1 3.42Å; R92-E208 PolarHBondContact N-OE2 3.29Å; N93-E208 PolarHBondContact N-OE2 3.37Å; E208-P210 WeakPolarHBondContact O-CD 3.13Å; E208-F212 HydrophobicContact CG-CD1 3.69Å; E208-F212 HydrophobicContact CG-CE1 4.3Å; E208-L213 HydrophobicContact CB-CD1 4.44Å; E208-L213 HydrophobicContact CB-CG 4.48Å; E208-L213 HydrophobicContact CG-CD2 4.38Å; E208-L213 HydrophobicContact CG-CG 4.43Å |
| 209 | S | 93.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -55 | 125.3 | 178.8 | 161.9 | 0 | 0 | 0 | 0 | 112.2 | E145 R211 F212 L213 | E145-S209 WeakPolarHBondContact CB-OG 3.36Å; E145-S209 WeakPolarHBondContact OE2-CB 3.37Å; E145-S209 PolarHBondContact OE2-OG 3.25Å; S209-R211 PolarHBondContact O-N 3.24Å; S209-R211 PolarHBondContact OG-N 3.4Å; S209-F212 WeakPolarHBondContact O-CB 3.43Å; S209-F212 PolarHBondContact O-N 3.25Å; S209-F212 PolarHBondContact OG-N 2.96Å; S209-F212 VanDerWaalsContact OG-N 3.09Å; S209-L213 WeakPolarHBondContact O-CG 3.45Å; S209-L213 PolarHBondContact O-N 2.97Å |
| 210 | P | 91.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.3 | -37.2 | 173.4 | -23.3 | 31.6 | 0 | 0 | 0 | 112.6 | E208 L213 L214 V226 L227 L230 M243 | E208-P210 WeakPolarHBondContact O-CD 3.13Å; P210-L213 PolarHBondContact O-N 3.49Å; P210-L214 WeakPolarHBondContact O-CB 3.33Å; P210-L214 PolarHBondContact O-N 2.9Å; P210-V226 HydrophobicContact CG-CG1 3.84Å; P210-L227 HydrophobicContact CB-CD1 4.26Å; P210-L227 HydrophobicContact CB-CD2 4.12Å; P210-L227 HydrophobicContact CB-CG 3.83Å; P210-L227 HydrophobicContact CG-CD2 4.01Å; P210-L227 HydrophobicContact CG-CG 4.02Å; P210-L230 HydrophobicContact CG-CD1 3.82Å; P210-M243 HydrophobicContact CB-CE 3.71Å; P210-M243 HydrophobicContact CB-SD 4.36Å; P210-M243 WeakPolarHBondContact O-CE 3.32Å |
| 211 | R | 88.9 | Confident | 92.1 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 178.4 | -76.6 | -174.5 | 171.1 | 98 | -7 | 111.2 | G144 E145 S209 L214 I215 E242 M243 E246 | G144-R211 PolarHBondContact O-NH1 3.45Å; E145-R211 HydrophobicContact CB-CB 4.31Å; E145-R211 HydrophobicContact CG-CB 4.21Å; E145-R211 PolarHBondContact O-NH1 3.15Å; S209-R211 PolarHBondContact O-N 3.24Å; S209-R211 PolarHBondContact OG-N 3.4Å; R211-L214 PolarHBondContact O-N 3.14Å; R211-I215 HydrophobicContact CB-CD1 4.38Å; R211-I215 VanDerWaalsContact O-CB 3.23Å; R211-I215 WeakPolarHBondContact O-CB 3.32Å; R211-I215 WeakPolarHBondContact O-CG1 3.3Å; R211-I215 PolarHBondContact O-N 3.27Å; R211-E242 IonicContact NH2-OE1 3.53Å; R211-M243 HydrophobicContact CB-CE 4.2Å; R211-M243 HydrophobicContact CG-CE 3.65Å; R211-M243 HydrophobicContact CG-CG 4.15Å; R211-M243 HydrophobicContact CG-SD 4.33Å; R211-E246 IonicContact CZ-OE2 3.37Å; R211-E246 VanDerWaalsContact CZ-OE2 3.3Å; R211-E246 IonicContact NE-OE2 3.98Å; R211-E246 PolarHBondContact NE-OE2 2.94Å; R211-E246 VanDerWaalsContact NH2-CD 3.33Å; R211-E246 IonicContact NH2-OE1 3.06Å; R211-E246 PolarHBondContact NH2-OE1 3.17Å; R211-E246 IonicContact NH2-OE2 3.28Å; R211-E246 PolarHBondContact NH2-OE2 3.26Å |
| 212 | F | 88.5 | Confident | 91.9 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -61.7 | -46.6 | 174.2 | 176.7 | -109.4 | 0 | 0 | 0 | 112.1 | G90 E208 S209 L214 N216 K217 | G90-F212 VanDerWaalsContact N-CZ 3.33Å; E208-F212 HydrophobicContact CG-CD1 3.69Å; E208-F212 HydrophobicContact CG-CE1 4.3Å; S209-F212 WeakPolarHBondContact O-CB 3.43Å; S209-F212 PolarHBondContact O-N 3.25Å; S209-F212 PolarHBondContact OG-N 2.96Å; S209-F212 VanDerWaalsContact OG-N 3.09Å; F212-L214 PolarHBondContact O-N 3.23Å; F212-N216 HydrophobicContact CD2-CB 3.42Å; F212-N216 VanDerWaalsContact CD2-CB 3.42Å; F212-N216 HydrophobicContact CE2-CB 3.59Å; F212-N216 HydrophobicContact CG-CB 4.33Å; F212-N216 WeakPolarHBondContact O-CA 3.46Å; F212-N216 VanDerWaalsContact O-CB 3.31Å; F212-N216 WeakPolarHBondContact O-CB 3.37Å; F212-N216 PolarHBondContact O-N 2.94Å; F212-K217 HydrophobicContact CD1-CG 4.35Å; F212-K217 HydrophobicContact CE1-CG 3.81Å; F212-K217 HydrophobicContact CZ-CD 4.38Å; F212-K217 HydrophobicContact CZ-CG 3.96Å; F212-K217 PolarHBondContact O-N 3.28Å; F212-K217 VanDerWaalsContact O-N 3.1Å |
| 213 | L | 91.3 | Very high | 91.7 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -62.1 | -44.5 | 179.5 | -67.3 | 174.4 | 0 | 0 | 0 | 111.8 | E208 S209 P210 K217 N218 E219 K222 A223 V226 | E208-L213 HydrophobicContact CB-CD1 4.44Å; E208-L213 HydrophobicContact CB-CG 4.48Å; E208-L213 HydrophobicContact CG-CD2 4.38Å; E208-L213 HydrophobicContact CG-CG 4.43Å; S209-L213 WeakPolarHBondContact O-CG 3.45Å; S209-L213 PolarHBondContact O-N 2.97Å; P210-L213 PolarHBondContact O-N 3.49Å; L213-K217 CarbonylContact O-C 3.5Å; L213-K217 WeakPolarHBondContact O-CB 3.08Å; L213-N218 PolarHBondContact O-N 2.96Å; L213-N218 VanDerWaalsContact O-N 3.14Å; L213-E219 PolarHBondContact O-N 3.05Å; L213-K222 HydrophobicContact CD1-CB 4.38Å; L213-A223 HydrophobicContact CB-CB 4.07Å; L213-V226 HydrophobicContact CD1-CG2 3.89Å |
| 214 | L | 89.3 | Confident | 91.5 | Very high | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -72.4 | -50.5 | -179.3 | -175.8 | 66.5 | 0 | 0 | 0 | 112.5 | P210 R211 F212 N218 E220 A223 M240 M243 K244 | P210-L214 WeakPolarHBondContact O-CB 3.33Å; P210-L214 PolarHBondContact O-N 2.9Å; R211-L214 PolarHBondContact O-N 3.14Å; F212-L214 PolarHBondContact O-N 3.23Å; L214-N218 VanDerWaalsContact O-CA 3.31Å; L214-N218 WeakPolarHBondContact O-CA 3.47Å; L214-N218 PolarHBondContact O-N 3.04Å; L214-E220 HydrophobicContact CD1-CB 3.99Å; L214-E220 HydrophobicContact CD1-CG 3.9Å; L214-A223 HydrophobicContact CB-CB 3.92Å; L214-M240 HydrophobicContact CD1-CE 3.92Å; L214-M240 HydrophobicContact CD2-CE 4.37Å; L214-M243 HydrophobicContact CB-CE 4.1Å; L214-M243 HydrophobicContact CD2-CB 3.7Å; L214-M243 HydrophobicContact CD2-CE 3.85Å; L214-K244 HydrophobicContact CD2-CG 4.11Å |
| 215 | I | 84.8 | Confident | 91.4 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -88.5 | -46.8 | -167.4 | -56.9 | 176.7 | 0 | 0 | 0 | 111.3 | R211 | R211-I215 HydrophobicContact CB-CD1 4.38Å; R211-I215 VanDerWaalsContact O-CB 3.23Å; R211-I215 WeakPolarHBondContact O-CB 3.32Å; R211-I215 WeakPolarHBondContact O-CG1 3.3Å; R211-I215 PolarHBondContact O-N 3.27Å |
| 216 | N | 84 | Confident | 91.3 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -87.4 | -31.7 | -175 | -65.1 | 88.2 | 0 | 0 | 0 | 112.9 | F212 | F212-N216 HydrophobicContact CD2-CB 3.42Å; F212-N216 VanDerWaalsContact CD2-CB 3.42Å; F212-N216 HydrophobicContact CE2-CB 3.59Å; F212-N216 HydrophobicContact CG-CB 4.33Å; F212-N216 WeakPolarHBondContact O-CA 3.46Å; F212-N216 VanDerWaalsContact O-CB 3.31Å; F212-N216 WeakPolarHBondContact O-CB 3.37Å; F212-N216 PolarHBondContact O-N 2.94Å |
| 217 | K | 87.8 | Confident | 91.1 | Very high | 111 Ų | 111 | 50.6 Ų | 50.6 | 48% | 0.483 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -105.6 | -10.4 | -178.1 | -67.1 | -72.1 | -176.6 | 179.2 | 0 | 114.1 | F212 L213 E219 | F212-K217 HydrophobicContact CD1-CG 4.35Å; F212-K217 HydrophobicContact CE1-CG 3.81Å; F212-K217 HydrophobicContact CZ-CD 4.38Å; F212-K217 HydrophobicContact CZ-CG 3.96Å; F212-K217 PolarHBondContact O-N 3.28Å; F212-K217 VanDerWaalsContact O-N 3.1Å; L213-K217 CarbonylContact O-C 3.5Å; L213-K217 WeakPolarHBondContact O-CB 3.08Å; K217-E219 HydrophobicContact CB-CB 4.5Å; K217-E219 HydrophobicContact CB-CG 3.94Å; K217-E219 PolarHBondContact O-N 2.89Å |
| 218 | N | 88.8 | Confident | 91 | Very high | 142 Ų | 142 | 53.9 Ų | 53.9 | 76% | 0.759 | 27% | 0.266 | S | S | * | . | trans | 57.4 | 31.2 | -177.1 | -157.1 | 39 | 0 | 0 | 0 | 113.6 | L213 L214 E220 | L213-N218 PolarHBondContact O-N 2.96Å; L213-N218 VanDerWaalsContact O-N 3.14Å; L214-N218 VanDerWaalsContact O-CA 3.31Å; L214-N218 WeakPolarHBondContact O-CA 3.47Å; L214-N218 PolarHBondContact O-N 3.04Å; N218-E220 PolarHBondContact O-N 3.03Å | ||
| 219 | E | 92.8 | Very high | 90.7 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | trans | -101.2 | 70.4 | -177 | -64.8 | -173.3 | 142.6 | 0 | 0 | 111.5 | L213 K217 N221 K222 A223 | L213-E219 PolarHBondContact O-N 3.05Å; K217-E219 HydrophobicContact CB-CB 4.5Å; K217-E219 HydrophobicContact CB-CG 3.94Å; K217-E219 PolarHBondContact O-N 2.89Å; E219-N221 PolarHBondContact O-N 2.89Å; E219-K222 HydrophobicContact CB-CB 4.22Å; E219-K222 HydrophobicContact CB-CD 4.21Å; E219-K222 VanDerWaalsContact CD-NZ 3.28Å; E219-K222 HydrophobicContact CG-CD 4.46Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-K222 IonicContact OE1-NZ 3.47Å; E219-K222 PolarHBondContact OE1-NZ 3Å; E219-K222 WeakPolarHBondContact OE2-CD 3.36Å; E219-K222 IonicContact OE2-NZ 3.18Å; E219-K222 PolarHBondContact OE2-NZ 3.46Å; E219-A223 PolarHBondContact O-N 3.46Å | ||
| 220 | E | 92.5 | Very high | 90.6 | Very high | 85 Ų | 85 | 58.9 Ų | 58.9 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.2 | -46.6 | -173 | -171.9 | 173.8 | 162.6 | 0 | 0 | 113.7 | L214 N218 K222 A223 K224 M240 K244 | L214-E220 HydrophobicContact CD1-CB 3.99Å; L214-E220 HydrophobicContact CD1-CG 3.9Å; N218-E220 PolarHBondContact O-N 3.03Å; E220-K222 VanDerWaalsContact C-N 3.32Å; E220-K222 PolarHBondContact O-N 3.43Å; E220-A223 PolarHBondContact O-N 3.48Å; E220-K224 PolarHBondContact O-N 3.06Å; E220-M240 HydrophobicContact CG-CE 3.44Å; E220-M240 VanDerWaalsContact CG-CE 3.44Å; E220-K244 VanDerWaalsContact CD-CE 3.5Å; E220-K244 WeakPolarHBondContact OE1-CE 3.28Å; E220-K244 IonicContact OE1-NZ 2.67Å; E220-K244 PolarHBondContact OE1-NZ 3.34Å; E220-K244 WeakPolarHBondContact OE2-CE 3.42Å; E220-K244 IonicContact OE2-NZ 2.9Å; E220-K244 PolarHBondContact OE2-NZ 2.9Å |
| 221 | N | 93.1 | Very high | 90.5 | Very high | 131 Ų | 131 | 60.4 Ų | 60.4 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | -178.1 | -71.2 | -29 | 0 | 0 | 0 | 112.3 | E219 K224 T225 | E219-N221 PolarHBondContact O-N 2.89Å; N221-K224 PolarHBondContact O-N 3.16Å; N221-T225 PolarHBondContact O-N 3.07Å; N221-T225 VanDerWaalsContact O-N 3.09Å; N221-T225 PolarHBondContact O-OG1 3.17Å; N221-T225 VanDerWaalsContact O-OG1 3.1Å |
| 222 | K | 93.6 | Very high | 90.4 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 50% | 0.496 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71 | -42.2 | 177.6 | -69.1 | -179.8 | -173.2 | 169.5 | 0 | 111 | L213 E219 E220 K224 T225 V226 | L213-K222 HydrophobicContact CD1-CB 4.38Å; E219-K222 HydrophobicContact CB-CB 4.22Å; E219-K222 HydrophobicContact CB-CD 4.21Å; E219-K222 VanDerWaalsContact CD-NZ 3.28Å; E219-K222 HydrophobicContact CG-CD 4.46Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-K222 IonicContact OE1-NZ 3.47Å; E219-K222 PolarHBondContact OE1-NZ 3Å; E219-K222 WeakPolarHBondContact OE2-CD 3.36Å; E219-K222 IonicContact OE2-NZ 3.18Å; E219-K222 PolarHBondContact OE2-NZ 3.46Å; E220-K222 VanDerWaalsContact C-N 3.32Å; E220-K222 PolarHBondContact O-N 3.43Å; K222-K224 VanDerWaalsContact C-N 3.29Å; K222-K224 PolarHBondContact O-N 3.23Å; K222-T225 PolarHBondContact O-N 3.06Å; K222-V226 WeakPolarHBondContact O-CG2 3.41Å; K222-V226 PolarHBondContact O-N 3.43Å |
| 223 | A | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.4 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L213 L214 E219 E220 V226 L227 M240 | L213-A223 HydrophobicContact CB-CB 4.07Å; L214-A223 HydrophobicContact CB-CB 3.92Å; E219-A223 PolarHBondContact O-N 3.46Å; E220-A223 PolarHBondContact O-N 3.48Å; A223-V226 PolarHBondContact O-N 3.18Å; A223-L227 PolarHBondContact O-N 2.91Å; A223-M240 HydrophobicContact CB-SD 4.35Å |
| 224 | K | 92.9 | Very high | 89.7 | Confident | 80 Ų | 80 | 68 Ų | 68 | 35% | 0.348 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 175.5 | -171.7 | 174.9 | -173.9 | 172 | 0 | 112.3 | E220 N221 K222 V226 L227 K228 V236 M240 | E220-K224 PolarHBondContact O-N 3.06Å; N221-K224 PolarHBondContact O-N 3.16Å; K222-K224 VanDerWaalsContact C-N 3.29Å; K222-K224 PolarHBondContact O-N 3.23Å; K224-V226 VanDerWaalsContact C-N 3.34Å; K224-V226 PolarHBondContact O-N 2.76Å; K224-L227 PolarHBondContact O-N 3.21Å; K224-K228 WeakPolarHBondContact O-CG 3.3Å; K224-K228 PolarHBondContact O-N 2.75Å; K224-V236 HydrophobicContact CG-CG2 3.87Å; K224-M240 HydrophobicContact CB-CE 4.36Å; K224-M240 HydrophobicContact CB-SD 4.23Å |
| 225 | T | 93.3 | Very high | 89.5 | Confident | 98 Ų | 98 | 72.5 Ų | 72.5 | 60% | 0.601 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | N221 K222 K228 K229 | N221-T225 PolarHBondContact O-N 3.07Å; N221-T225 VanDerWaalsContact O-N 3.09Å; N221-T225 PolarHBondContact O-OG1 3.17Å; N221-T225 VanDerWaalsContact O-OG1 3.1Å; K222-T225 PolarHBondContact O-N 3.06Å; T225-K228 PolarHBondContact O-N 3.4Å; T225-K229 PolarHBondContact O-N 3.24Å |
| 226 | V | 93.6 | Very high | 89.7 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | P207 P210 L213 K222 A223 K224 K228 K229 L230 | P207-V226 HydrophobicContact CB-CB 4.5Å; P207-V226 HydrophobicContact CB-CG1 3.43Å; P207-V226 VanDerWaalsContact CB-CG1 3.43Å; P207-V226 HydrophobicContact CB-CG2 4.3Å; P207-V226 HydrophobicContact CG-CG1 4.19Å; P210-V226 HydrophobicContact CG-CG1 3.84Å; L213-V226 HydrophobicContact CD1-CG2 3.89Å; K222-V226 WeakPolarHBondContact O-CG2 3.41Å; K222-V226 PolarHBondContact O-N 3.43Å; A223-V226 PolarHBondContact O-N 3.18Å; K224-V226 VanDerWaalsContact C-N 3.34Å; K224-V226 PolarHBondContact O-N 2.76Å; V226-K228 VanDerWaalsContact C-N 3.35Å; V226-K228 PolarHBondContact O-N 3.31Å; V226-K229 WeakPolarHBondContact O-CB 3.13Å; V226-K229 PolarHBondContact O-N 3.46Å; V226-K229 VanDerWaalsContact O-N 3.15Å; V226-L230 HydrophobicContact CG1-CD1 3.77Å; V226-L230 HydrophobicContact CG1-CG 4.23Å; V226-L230 WeakPolarHBondContact O-CG 3.44Å; V226-L230 PolarHBondContact O-N 2.65Å |
| 227 | L | 91.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 177.6 | -82.9 | 165.2 | 0 | 0 | 0 | 112.2 | P210 A223 K224 K229 L230 R231 V236 D239 M240 M243 | P210-L227 HydrophobicContact CB-CD1 4.26Å; P210-L227 HydrophobicContact CB-CD2 4.12Å; P210-L227 HydrophobicContact CB-CG 3.83Å; P210-L227 HydrophobicContact CG-CD2 4.01Å; P210-L227 HydrophobicContact CG-CG 4.02Å; A223-L227 PolarHBondContact O-N 2.91Å; K224-L227 PolarHBondContact O-N 3.21Å; L227-K229 VanDerWaalsContact C-N 3.26Å; L227-K229 PolarHBondContact O-N 3.05Å; L227-L230 PolarHBondContact O-N 2.79Å; L227-L230 VanDerWaalsContact O-N 3.16Å; L227-R231 WeakPolarHBondContact O-CB 3.37Å; L227-R231 VanDerWaalsContact O-CG 3.32Å; L227-R231 WeakPolarHBondContact O-CG 3.46Å; L227-R231 PolarHBondContact O-N 3.24Å; L227-V236 HydrophobicContact CB-CB 4.11Å; L227-V236 HydrophobicContact CB-CG1 4.13Å; L227-V236 HydrophobicContact CB-CG2 4.08Å; L227-D239 HydrophobicContact CD1-CB 4.37Å; L227-D239 HydrophobicContact CD2-CB 4.43Å; L227-M240 HydrophobicContact CD1-CG 3.91Å; L227-M240 HydrophobicContact CD1-SD 3.44Å; L227-M240 WeakPolarHBondContact CD1-SD 3.36Å; L227-M243 HydrophobicContact CD1-CE 4.47Å; L227-M243 HydrophobicContact CD1-SD 3.75Å; L227-M243 HydrophobicContact CD2-SD 4.46Å |
| 228 | K | 91.9 | Very high | 89.8 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 37% | 0.37 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.5 | -43.4 | 175 | -72.6 | -179.5 | 178.6 | -164.2 | 0 | 111.6 | K224 T225 V226 G232 A233 T234 V236 | K224-K228 WeakPolarHBondContact O-CG 3.3Å; K224-K228 PolarHBondContact O-N 2.75Å; T225-K228 PolarHBondContact O-N 3.4Å; V226-K228 VanDerWaalsContact C-N 3.35Å; V226-K228 PolarHBondContact O-N 3.31Å; K228-G232 WeakPolarHBondContact O-CA 3.42Å; K228-G232 PolarHBondContact O-N 3.23Å; K228-A233 WeakPolarHBondContact CA-O 3.34Å; K228-T234 WeakPolarHBondContact CE-O 3.49Å; K228-V236 HydrophobicContact CG-CG1 4.13Å; K228-V236 HydrophobicContact CG-CG2 3.89Å |
| 229 | K | 90.5 | Very high | 89.6 | Confident | 117 Ų | 117 | 62.8 Ų | 62.8 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 177.3 | -170.9 | 179.1 | -179.7 | -176 | 0 | 112.5 | P10 T225 V226 L227 | P10-K229 HydrophobicContact CB-CG 4.09Å; P10-K229 HydrophobicContact CG-CG 4.02Å; T225-K229 PolarHBondContact O-N 3.24Å; V226-K229 WeakPolarHBondContact O-CB 3.13Å; V226-K229 PolarHBondContact O-N 3.46Å; V226-K229 VanDerWaalsContact O-N 3.15Å; L227-K229 VanDerWaalsContact C-N 3.26Å; L227-K229 PolarHBondContact O-N 3.05Å |
| 230 | L | 91 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.9 | -36.5 | -179.1 | -74.2 | 173.7 | 0 | 0 | 0 | 113 | T8 L11 V146 P207 P210 V226 L227 | T8-L230 WeakPolarHBondContact CG2-O 3.18Å; T8-L230 PolarHBondContact OG1-O 2.9Å; L11-L230 HydrophobicContact CB-CD2 4.4Å; L11-L230 HydrophobicContact CD1-CD2 4.37Å; V146-L230 HydrophobicContact CB-CD1 4.02Å; V146-L230 HydrophobicContact CG1-CD1 4.31Å; P207-L230 HydrophobicContact CG-CD1 4.27Å; P207-L230 HydrophobicContact CG-CD2 3.7Å; P207-L230 HydrophobicContact CG-CG 4.06Å; P210-L230 HydrophobicContact CG-CD1 3.82Å; V226-L230 HydrophobicContact CG1-CD1 3.77Å; V226-L230 HydrophobicContact CG1-CG 4.23Å; V226-L230 WeakPolarHBondContact O-CG 3.44Å; V226-L230 PolarHBondContact O-N 2.65Å; L227-L230 PolarHBondContact O-N 2.79Å; L227-L230 VanDerWaalsContact O-N 3.16Å |
| 231 | R | 89.3 | Confident | 89.2 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 12% | 0.121 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -87.6 | -23 | -178.8 | -61.3 | -63 | 178 | -101.5 | -3.4 | 113.1 | T8 V146 S147 L227 A233 V236 D239 | T8-R231 VanDerWaalsContact CG2-C 3.49Å; T8-R231 WeakPolarHBondContact CG2-O 3.41Å; V146-R231 PolarHBondContact O-NH1 2.88Å; S147-R231 PolarHBondContact O-NH2 2.89Å; L227-R231 WeakPolarHBondContact O-CB 3.37Å; L227-R231 VanDerWaalsContact O-CG 3.32Å; L227-R231 WeakPolarHBondContact O-CG 3.46Å; L227-R231 PolarHBondContact O-N 3.24Å; R231-A233 HydrophobicContact CB-CB 4.25Å; R231-A233 PolarHBondContact O-N 2.95Å; R231-V236 HydrophobicContact CB-CG1 4.25Å; R231-V236 HydrophobicContact CG-CG1 4.26Å; R231-D239 WeakPolarHBondContact CD-OD2 3.38Å; R231-D239 IonicContact CZ-OD2 3.67Å; R231-D239 IonicContact NE-OD2 2.78Å; R231-D239 PolarHBondContact NE-OD2 3.36Å; R231-D239 IonicContact NH2-OD2 3.71Å |
| 232 | G | 86.5 | Confident | 88.8 | Confident | 49 Ų | 49 | 58 Ų | 58 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | trans | 70.3 | 10.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | K228 | K228-G232 WeakPolarHBondContact O-CA 3.42Å; K228-G232 PolarHBondContact O-N 3.23Å | ||
| 233 | A | 83.6 | Confident | 88.3 | Confident | 33 Ų | 33 | 53 Ų | 53 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | trans | -109.2 | 143.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K228 R231 | K228-A233 WeakPolarHBondContact CA-O 3.34Å; R231-A233 HydrophobicContact CB-CB 4.25Å; R231-A233 PolarHBondContact O-N 2.95Å | ||
| 234 | T | 80.4 | Confident | 88.1 | Confident | 128 Ų | 128 | 56.1 Ų | 56.1 | 79% | 0.785 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -75.7 | -33.9 | 174.7 | 43.7 | 0 | 0 | 0 | 0 | 112 | K228 | K228-T234 WeakPolarHBondContact CE-O 3.49Š|
| 235 | D | 86.3 | Confident | 87.7 | Confident | 106 Ų | 106 | 56.6 Ų | 56.6 | 57% | 0.567 | 32% | 0.315 | S | S | * | . | trans | -96.5 | 114.8 | 173 | -169.8 | 11.2 | 0 | 0 | 0 | 110.9 | S237 | D235-S237 WeakPolarHBondContact OD1-CB 3.45Å; D235-S237 PolarHBondContact OD1-N 3.08Å; D235-S237 PolarHBondContact OD1-OG 3.22Å | ||
| 236 | V | 87.7 | Confident | 86.9 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | trans | -126 | 20.7 | 175.9 | -64.3 | 0 | 0 | 0 | 0 | 110.3 | K224 L227 K228 R231 S238 D239 M240 | K224-V236 HydrophobicContact CG-CG2 3.87Å; L227-V236 HydrophobicContact CB-CB 4.11Å; L227-V236 HydrophobicContact CB-CG1 4.13Å; L227-V236 HydrophobicContact CB-CG2 4.08Å; K228-V236 HydrophobicContact CG-CG1 4.13Å; K228-V236 HydrophobicContact CG-CG2 3.89Å; R231-V236 HydrophobicContact CB-CG1 4.25Å; R231-V236 HydrophobicContact CG-CG1 4.26Å; V236-S238 VanDerWaalsContact C-N 3.3Å; V236-S238 PolarHBondContact O-N 3.45Å; V236-D239 PolarHBondContact O-N 3.15Å; V236-M240 HydrophobicContact CG2-CG 4.32Å; V236-M240 WeakPolarHBondContact O-CB 3.27Å; V236-M240 VanDerWaalsContact O-CG 3.3Å; V236-M240 WeakPolarHBondContact O-CG 3.34Å; V236-M240 PolarHBondContact O-N 2.82Å | ||
| 237 | S | 88.4 | Confident | 86.3 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 41% | 0.413 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | -173.8 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | D235 M240 Q241 | D235-S237 WeakPolarHBondContact OD1-CB 3.45Å; D235-S237 PolarHBondContact OD1-N 3.08Å; D235-S237 PolarHBondContact OD1-OG 3.22Å; S237-M240 PolarHBondContact O-N 3.2Å; S237-Q241 VanDerWaalsContact O-CB 3.29Å; S237-Q241 WeakPolarHBondContact O-CB 3.46Å; S237-Q241 PolarHBondContact O-N 2.82Å |
| 238 | S | 85.9 | Confident | 85.9 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.3 | -49.9 | 173.2 | 58.5 | 0 | 0 | 0 | 0 | 112 | V236 M240 Q241 E242 | V236-S238 VanDerWaalsContact C-N 3.3Å; V236-S238 PolarHBondContact O-N 3.45Å; S238-M240 VanDerWaalsContact C-N 3.35Å; S238-M240 PolarHBondContact O-N 3.01Å; S238-Q241 PolarHBondContact O-N 3.02Å; S238-E242 PolarHBondContact O-N 3.24Å |
| 239 | D | 84.4 | Confident | 85.3 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 16% | 0.16 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 179.8 | -74.5 | 9.2 | 0 | 0 | 0 | 111 | L227 R231 V236 Q241 E242 M243 | L227-D239 HydrophobicContact CD1-CB 4.37Å; L227-D239 HydrophobicContact CD2-CB 4.43Å; R231-D239 WeakPolarHBondContact CD-OD2 3.38Å; R231-D239 IonicContact CZ-OD2 3.67Å; R231-D239 IonicContact NE-OD2 2.78Å; R231-D239 PolarHBondContact NE-OD2 3.36Å; R231-D239 IonicContact NH2-OD2 3.71Å; V236-D239 PolarHBondContact O-N 3.15Å; D239-Q241 VanDerWaalsContact C-N 3.32Å; D239-Q241 PolarHBondContact O-N 2.88Å; D239-E242 PolarHBondContact O-N 2.91Å; D239-M243 VanDerWaalsContact O-CG 3.24Å; D239-M243 WeakPolarHBondContact O-CG 3.34Å; D239-M243 PolarHBondContact O-N 2.97Å |
| 240 | M | 88.4 | Confident | 84.5 | Confident | 11 Ų | 11 | 60 Ų | 60 | 5% | 0.054 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 176.1 | -74.7 | -68.2 | -63.6 | 0 | 0 | 111.7 | L214 E220 A223 K224 L227 V236 S237 S238 K244 | L214-M240 HydrophobicContact CD1-CE 3.92Å; L214-M240 HydrophobicContact CD2-CE 4.37Å; E220-M240 HydrophobicContact CG-CE 3.44Å; E220-M240 VanDerWaalsContact CG-CE 3.44Å; A223-M240 HydrophobicContact CB-SD 4.35Å; K224-M240 HydrophobicContact CB-CE 4.36Å; K224-M240 HydrophobicContact CB-SD 4.23Å; L227-M240 HydrophobicContact CD1-CG 3.91Å; L227-M240 HydrophobicContact CD1-SD 3.44Å; L227-M240 WeakPolarHBondContact CD1-SD 3.36Å; V236-M240 HydrophobicContact CG2-CG 4.32Å; V236-M240 WeakPolarHBondContact O-CB 3.27Å; V236-M240 VanDerWaalsContact O-CG 3.3Å; V236-M240 WeakPolarHBondContact O-CG 3.34Å; V236-M240 PolarHBondContact O-N 2.82Å; S237-M240 PolarHBondContact O-N 3.2Å; S238-M240 VanDerWaalsContact C-N 3.35Å; S238-M240 PolarHBondContact O-N 3.01Å; M240-K244 WeakPolarHBondContact O-CG 3.45Å; M240-K244 PolarHBondContact O-N 2.79Å |
| 241 | Q | 88.1 | Confident | 83.8 | Confident | 116 Ų | 116 | 67.4 Ų | 67.4 | 54% | 0.542 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.7 | -42.8 | 178.7 | -175.4 | 156.9 | -14.5 | 0 | 0 | 111.6 | S237 S238 D239 M243 K244 E245 | S237-Q241 VanDerWaalsContact O-CB 3.29Å; S237-Q241 WeakPolarHBondContact O-CB 3.46Å; S237-Q241 PolarHBondContact O-N 2.82Å; S238-Q241 PolarHBondContact O-N 3.02Å; D239-Q241 VanDerWaalsContact C-N 3.32Å; D239-Q241 PolarHBondContact O-N 2.88Å; Q241-M243 VanDerWaalsContact C-N 3.31Å; Q241-M243 PolarHBondContact O-N 3.45Å; Q241-K244 PolarHBondContact O-N 3.48Å; Q241-K244 VanDerWaalsContact O-N 3.14Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.4Å; Q241-E245 PolarHBondContact NE2-OE1 3.34Å; Q241-E245 WeakPolarHBondContact O-CB 3.24Å; Q241-E245 WeakPolarHBondContact O-CG 3.3Å; Q241-E245 PolarHBondContact O-N 3.16Å |
| 242 | E | 84.8 | Confident | 83.5 | Confident | 52 Ų | 52 | 76 Ų | 76 | 24% | 0.243 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -52.9 | -49.9 | 171.3 | -177 | -168.9 | 148.6 | 0 | 0 | 110.2 | T149 R152 R211 S238 D239 K244 E245 E246 | T149-E242 VanDerWaalsContact OG1-CD 3.27Å; T149-E242 PolarHBondContact OG1-OE1 3.43Å; T149-E242 PolarHBondContact OG1-OE2 2.88Å; R152-E242 IonicContact NH2-OE1 3.05Å; R152-E242 PolarHBondContact NH2-OE1 3.19Å; R211-E242 IonicContact NH2-OE1 3.53Å; S238-E242 PolarHBondContact O-N 3.24Å; D239-E242 PolarHBondContact O-N 2.91Å; E242-K244 VanDerWaalsContact C-N 3.34Å; E242-K244 PolarHBondContact O-N 3.1Å; E242-E245 PolarHBondContact O-N 2.98Å; E242-E246 WeakPolarHBondContact O-CB 3.37Å; E242-E246 WeakPolarHBondContact O-CG 3.46Å; E242-E246 PolarHBondContact O-N 3.47Å |
| 243 | M | 83.6 | Confident | 83.1 | Confident | 8 Ų | 8 | 76.9 Ų | 76.9 | 4% | 0.039 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.4 | -34.8 | -180 | -68.8 | 165.3 | 58.4 | 0 | 0 | 113.2 | P210 R211 L214 L227 D239 Q241 S247 | P210-M243 HydrophobicContact CB-CE 3.71Å; P210-M243 HydrophobicContact CB-SD 4.36Å; P210-M243 WeakPolarHBondContact O-CE 3.32Å; R211-M243 HydrophobicContact CB-CE 4.2Å; R211-M243 HydrophobicContact CG-CE 3.65Å; R211-M243 HydrophobicContact CG-CG 4.15Å; R211-M243 HydrophobicContact CG-SD 4.33Å; L214-M243 HydrophobicContact CB-CE 4.1Å; L214-M243 HydrophobicContact CD2-CB 3.7Å; L214-M243 HydrophobicContact CD2-CE 3.85Å; L227-M243 HydrophobicContact CD1-CE 4.47Å; L227-M243 HydrophobicContact CD1-SD 3.75Å; L227-M243 HydrophobicContact CD2-SD 4.46Å; D239-M243 VanDerWaalsContact O-CG 3.24Å; D239-M243 WeakPolarHBondContact O-CG 3.34Å; D239-M243 PolarHBondContact O-N 2.97Å; Q241-M243 VanDerWaalsContact C-N 3.31Å; Q241-M243 PolarHBondContact O-N 3.45Å; M243-S247 VanDerWaalsContact O-CB 3.29Å; M243-S247 WeakPolarHBondContact O-CB 3.37Å; M243-S247 PolarHBondContact O-N 3.49Å |
| 244 | K | 87.3 | Confident | 82.9 | Confident | 67 Ų | 67 | 82.4 Ų | 82.4 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 173.7 | -75.9 | -179.3 | -178 | -173.8 | 0 | 111.4 | L214 E220 M240 Q241 E242 S247 R248 | L214-K244 HydrophobicContact CD2-CG 4.11Å; E220-K244 VanDerWaalsContact CD-CE 3.5Å; E220-K244 WeakPolarHBondContact OE1-CE 3.28Å; E220-K244 IonicContact OE1-NZ 2.67Å; E220-K244 PolarHBondContact OE1-NZ 3.34Å; E220-K244 WeakPolarHBondContact OE2-CE 3.42Å; E220-K244 IonicContact OE2-NZ 2.9Å; E220-K244 PolarHBondContact OE2-NZ 2.9Å; M240-K244 WeakPolarHBondContact O-CG 3.45Å; M240-K244 PolarHBondContact O-N 2.79Å; Q241-K244 PolarHBondContact O-N 3.48Å; Q241-K244 VanDerWaalsContact O-N 3.14Å; E242-K244 VanDerWaalsContact C-N 3.34Å; E242-K244 PolarHBondContact O-N 3.1Å; K244-S247 PolarHBondContact O-N 3.2Å; K244-R248 VanDerWaalsContact O-CG 3.31Å; K244-R248 WeakPolarHBondContact O-CG 3.46Å; K244-R248 PolarHBondContact O-N 2.89Å |
| 245 | E | 85.2 | Confident | 82.9 | Confident | 90 Ų | 90 | 84.1 Ų | 84.1 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68 | -45.9 | 176.4 | -74.4 | 170.3 | -168.9 | 0 | 0 | 111.3 | Q241 E242 S247 R248 Q249 | Q241-E245 WeakPolarHBondContact CG-OE1 3.4Å; Q241-E245 PolarHBondContact NE2-OE1 3.34Å; Q241-E245 WeakPolarHBondContact O-CB 3.24Å; Q241-E245 WeakPolarHBondContact O-CG 3.3Å; Q241-E245 PolarHBondContact O-N 3.16Å; E242-E245 PolarHBondContact O-N 2.98Å; E245-S247 VanDerWaalsContact C-N 3.29Å; E245-S247 PolarHBondContact O-N 3.07Å; E245-R248 PolarHBondContact O-N 3.43Å; E245-Q249 WeakPolarHBondContact O-CG 3.48Å; E245-Q249 PolarHBondContact O-N 2.91Å |
| 246 | E | 77.3 | Confident | 82.7 | Confident | 38 Ų | 38 | 79.6 Ų | 79.6 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.5 | -46 | 171.2 | -75.5 | -177.7 | 161.1 | 0 | 0 | 110.7 | R152 R211 E242 Q249 M250 Q396 | R152-E246 IonicContact NH1-OE1 3.6Å; R211-E246 IonicContact CZ-OE2 3.37Å; R211-E246 VanDerWaalsContact CZ-OE2 3.3Å; R211-E246 IonicContact NE-OE2 3.98Å; R211-E246 PolarHBondContact NE-OE2 2.94Å; R211-E246 VanDerWaalsContact NH2-CD 3.33Å; R211-E246 IonicContact NH2-OE1 3.06Å; R211-E246 PolarHBondContact NH2-OE1 3.17Å; R211-E246 IonicContact NH2-OE2 3.28Å; R211-E246 PolarHBondContact NH2-OE2 3.26Å; E242-E246 WeakPolarHBondContact O-CB 3.37Å; E242-E246 WeakPolarHBondContact O-CG 3.46Å; E242-E246 PolarHBondContact O-N 3.47Å; E246-Q249 PolarHBondContact O-N 2.71Å; E246-M250 WeakPolarHBondContact O-CB 3.4Å; E246-M250 PolarHBondContact O-N 3.26Å; E246-Q396 PolarHBondContact O-OE1 3.47Å |
| 247 | S | 80.1 | Confident | 82.8 | Confident | 26 Ų | 26 | 83 Ų | 83 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | M243 K244 E245 Q249 M250 M251 | M243-S247 VanDerWaalsContact O-CB 3.29Å; M243-S247 WeakPolarHBondContact O-CB 3.37Å; M243-S247 PolarHBondContact O-N 3.49Å; K244-S247 PolarHBondContact O-N 3.2Å; E245-S247 VanDerWaalsContact C-N 3.29Å; E245-S247 PolarHBondContact O-N 3.07Å; S247-Q249 VanDerWaalsContact C-N 3.32Å; S247-Q249 PolarHBondContact O-N 3.46Å; S247-M250 PolarHBondContact O-N 3.45Å; S247-M251 WeakPolarHBondContact O-CB 3.36Å; S247-M251 VanDerWaalsContact O-CG 3.31Å; S247-M251 WeakPolarHBondContact O-CG 3.37Å; S247-M251 PolarHBondContact O-N 3.03Å |
| 248 | R | 83.9 | Confident | 82.8 | Confident | 161 Ų | 161 | 83.4 Ų | 83.4 | 61% | 0.608 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | 175.7 | -75.1 | 174.9 | -172.7 | 177.6 | 2.5 | 111.5 | K244 E245 M251 R252 | K244-R248 VanDerWaalsContact O-CG 3.31Å; K244-R248 WeakPolarHBondContact O-CG 3.46Å; K244-R248 PolarHBondContact O-N 2.89Å; E245-R248 PolarHBondContact O-N 3.43Å; R248-M251 PolarHBondContact O-N 3.14Å; R248-R252 VanDerWaalsContact O-CG 3.24Å; R248-R252 WeakPolarHBondContact O-CG 3.38Å; R248-R252 PolarHBondContact O-N 3.44Å |
| 249 | Q | 77.6 | Confident | 83 | Confident | 105 Ų | 105 | 84.1 Ų | 84.1 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 174.6 | -72.6 | 178 | -6.1 | 0 | 0 | 111.4 | E245 E246 S247 M251 R252 E253 | E245-Q249 WeakPolarHBondContact O-CG 3.48Å; E245-Q249 PolarHBondContact O-N 2.91Å; E246-Q249 PolarHBondContact O-N 2.71Å; S247-Q249 VanDerWaalsContact C-N 3.32Å; S247-Q249 PolarHBondContact O-N 3.46Å; Q249-M251 VanDerWaalsContact C-N 3.27Å; Q249-M251 PolarHBondContact O-N 3.28Å; Q249-R252 WeakPolarHBondContact O-CB 3.23Å; Q249-R252 PolarHBondContact O-N 2.99Å; Q249-R252 VanDerWaalsContact O-N 3.11Å; Q249-E253 PolarHBondContact O-N 2.95Å; Q249-E253 VanDerWaalsContact O-N 3.15Å |
| 250 | M | 73.9 | Confident | 83.2 | Confident | 67 Ų | 67 | 85.4 Ų | 85.4 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 176.5 | -166.3 | -172.9 | -63 | 0 | 0 | 112.5 | E246 S247 Q396 | E246-M250 WeakPolarHBondContact O-CB 3.4Å; E246-M250 PolarHBondContact O-N 3.26Å; S247-M250 PolarHBondContact O-N 3.45Å; M250-Q396 HydrophobicContact CB-CB 4.43Å; M250-Q396 HydrophobicContact CG-CB 4.31Å |
| 251 | M | 77.9 | Confident | 83.2 | Confident | 155 Ų | 155 | 84.9 Ų | 84.9 | 76% | 0.764 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -76.5 | -23.3 | 178 | -71.2 | -66.1 | -73 | 0 | 0 | 113.2 | S247 R248 Q249 | S247-M251 WeakPolarHBondContact O-CB 3.36Å; S247-M251 VanDerWaalsContact O-CG 3.31Å; S247-M251 WeakPolarHBondContact O-CG 3.37Å; S247-M251 PolarHBondContact O-N 3.03Å; R248-M251 PolarHBondContact O-N 3.14Å; Q249-M251 VanDerWaalsContact C-N 3.27Å; Q249-M251 PolarHBondContact O-N 3.28Å |
| 252 | R | 81.3 | Confident | 83.4 | Confident | 212 Ų | 212 | 83.8 Ų | 83.8 | 80% | 0.8 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -73.9 | -31.9 | 172.7 | -76.5 | 170.9 | 179 | -168.1 | -0.4 | 111.8 | R248 Q249 | R248-R252 VanDerWaalsContact O-CG 3.24Å; R248-R252 WeakPolarHBondContact O-CG 3.38Å; R248-R252 PolarHBondContact O-N 3.44Å; Q249-R252 WeakPolarHBondContact O-CB 3.23Å; Q249-R252 PolarHBondContact O-N 2.99Å; Q249-R252 VanDerWaalsContact O-N 3.11Å |
| 253 | E | 78 | Confident | 83.7 | Confident | 67 Ų | 67 | 90.2 Ų | 90.2 | 31% | 0.313 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -84.9 | 128.8 | 175.5 | -70 | -176.5 | -152.9 | 0 | 0 | 111.1 | Q249 K255 S395 Q396 G397 | Q249-E253 PolarHBondContact O-N 2.95Å; Q249-E253 VanDerWaalsContact O-N 3.15Å; E253-K255 PolarHBondContact O-N 2.95Å; E253-S395 VanDerWaalsContact OE2-CB 3.27Å; E253-S395 WeakPolarHBondContact OE2-CB 3.38Å; E253-S395 PolarHBondContact OE2-OG 2.68Å; E253-Q396 PolarHBondContact OE2-N 3.33Å; E253-G397 PolarHBondContact OE2-N 3.42Å |
| 254 | K | 80.9 | Confident | 84 | Confident | 150 Ų | 150 | 91.4 Ų | 91.4 | 65% | 0.652 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 130.7 | 171.7 | -173.7 | -169.4 | 175.9 | -163.1 | 0 | 108.9 | V256 E260 | K254-V256 WeakPolarHBondContact O-CG2 3.44Å; K254-V256 PolarHBondContact O-N 3.14Å; K254-V256 VanDerWaalsContact O-N 3.15Å; K254-E260 IonicContact NZ-OE1 2.97Å; K254-E260 PolarHBondContact NZ-OE1 3.25Å |
| 255 | K | 79.3 | Confident | 83.9 | Confident | 164 Ų | 164 | 93.5 Ų | 93.5 | 71% | 0.713 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 119.2 | 167.7 | -70.6 | -175.7 | -179.7 | 177.4 | 0 | 109.1 | E253 | E253-K255 PolarHBondContact O-N 2.95Š|
| 256 | V | 83.6 | Confident | 83.9 | Confident | 11 Ų | 11 | 92.5 Ų | 92.5 | 7% | 0.067 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 132.1 | -178.3 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | K254 E260 L261 Y267 P398 S401 | K254-V256 WeakPolarHBondContact O-CG2 3.44Å; K254-V256 PolarHBondContact O-N 3.14Å; K254-V256 VanDerWaalsContact O-N 3.15Å; V256-E260 WeakPolarHBondContact CA-OE2 3.31Å; V256-E260 HydrophobicContact CG1-CB 3.54Å; V256-L261 HydrophobicContact CG1-CD2 4.04Å; V256-L261 HydrophobicContact CG1-CG 4.25Å; V256-Y267 HydrophobicContact CB-CE2 4.48Å; V256-Y267 HydrophobicContact CG1-CD2 4Å; V256-Y267 HydrophobicContact CG1-CE2 3.82Å; V256-Y267 HydrophobicContact CG2-CE2 3.83Å; V256-P398 HydrophobicContact CB-CB 3.93Å; V256-P398 HydrophobicContact CG1-CB 4.44Å; V256-P398 HydrophobicContact CG2-CB 3.88Å; V256-P398 HydrophobicContact CG2-CG 4.45Å; V256-S401 PolarHBondContact O-OG 2.98Å |
| 257 | T | 88.3 | Confident | 84.4 | Confident | 74 Ų | 74 | 93.1 Ų | 93.1 | 45% | 0.454 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 160.1 | 176 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | L259 E260 L261 | T257-L259 PolarHBondContact O-N 3.45Å; T257-E260 PolarHBondContact N-OE2 3.45Å; T257-E260 PolarHBondContact O-N 2.89Å; T257-E260 VanDerWaalsContact O-N 3.1Å; T257-E260 VanDerWaalsContact OG1-CG 3.25Å; T257-E260 WeakPolarHBondContact OG1-CG 3.44Å; T257-E260 PolarHBondContact OG1-N 2.84Å; T257-E260 PolarHBondContact OG1-OE2 3.26Å; T257-E260 VanDerWaalsContact OG1-OE2 3.14Å; T257-L261 PolarHBondContact O-N 3.37Å |
| 258 | I | 88.4 | Confident | 84.9 | Confident | 67 Ų | 67 | 99.2 Ų | 99.2 | 34% | 0.344 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -54.8 | -40.8 | 176.7 | -66.7 | 173.6 | 0 | 0 | 0 | 111.3 | F80 E260 L261 F262 V405 | F80-I258 HydrophobicContact CE1-CD1 4.39Å; I258-E260 PolarHBondContact O-N 3.41Å; I258-L261 WeakPolarHBondContact O-CB 3.18Å; I258-L261 PolarHBondContact O-N 3.45Å; I258-F262 HydrophobicContact CG2-CE2 4.09Å; I258-F262 VanDerWaalsContact O-CD2 3.28Å; I258-F262 WeakPolarHBondContact O-CD2 3.43Å; I258-V405 HydrophobicContact CG1-CG2 4.26Å; I258-V405 HydrophobicContact CG2-CG2 3.68Å |
| 259 | L | 89.8 | Confident | 85.2 | Confident | 95 Ų | 95 | 94 Ų | 94 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.1 | -36.2 | -179.3 | -169.5 | 63.8 | 0 | 0 | 0 | 112.5 | T257 L261 F262 R263 | T257-L259 PolarHBondContact O-N 3.45Å; L259-L261 VanDerWaalsContact C-N 3.29Å; L259-L261 PolarHBondContact O-N 3.06Å; L259-F262 PolarHBondContact O-N 3.39Å; L259-R263 VanDerWaalsContact CD2-CZ 3.48Å; L259-R263 WeakPolarHBondContact O-CG 3.33Å; L259-R263 PolarHBondContact O-N 3.37Å |
| 260 | E | 89.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 89.3 Ų | 89.3 | 27% | 0.271 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.4 | -29.8 | 176.1 | -75 | 169.5 | 151.8 | 0 | 0 | 112.1 | K254 V256 T257 I258 F262 R263 S264 | K254-E260 IonicContact NZ-OE1 2.97Å; K254-E260 PolarHBondContact NZ-OE1 3.25Å; V256-E260 WeakPolarHBondContact CA-OE2 3.31Å; V256-E260 HydrophobicContact CG1-CB 3.54Å; T257-E260 PolarHBondContact N-OE2 3.45Å; T257-E260 PolarHBondContact O-N 2.89Å; T257-E260 VanDerWaalsContact O-N 3.1Å; T257-E260 VanDerWaalsContact OG1-CG 3.25Å; T257-E260 WeakPolarHBondContact OG1-CG 3.44Å; T257-E260 PolarHBondContact OG1-N 2.84Å; T257-E260 PolarHBondContact OG1-OE2 3.26Å; T257-E260 VanDerWaalsContact OG1-OE2 3.14Å; I258-E260 PolarHBondContact O-N 3.41Å; E260-F262 VanDerWaalsContact C-N 3.27Å; E260-F262 PolarHBondContact O-N 3.24Å; E260-R263 PolarHBondContact O-N 3.44Å; E260-S264 VanDerWaalsContact O-CB 3.3Å; E260-S264 WeakPolarHBondContact O-CB 3.49Å; E260-S264 PolarHBondContact O-N 2.83Å |
| 261 | L | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60 | -37 | 175.4 | -68.7 | 175.1 | 0 | 0 | 0 | 112.6 | V256 T257 I258 L259 Y267 I271 F394 P398 A402 V405 | V256-L261 HydrophobicContact CG1-CD2 4.04Å; V256-L261 HydrophobicContact CG1-CG 4.25Å; T257-L261 PolarHBondContact O-N 3.37Å; I258-L261 WeakPolarHBondContact O-CB 3.18Å; I258-L261 PolarHBondContact O-N 3.45Å; L259-L261 VanDerWaalsContact C-N 3.29Å; L259-L261 PolarHBondContact O-N 3.06Å; L261-Y267 HydrophobicContact CD2-CD2 4.33Å; L261-Y267 HydrophobicContact CD2-CG 4.1Å; L261-Y267 CarbonylContact O-C 3.41Å; L261-Y267 WeakPolarHBondContact O-CB 3.25Å; L261-I271 HydrophobicContact CB-CG1 4.46Å; L261-I271 HydrophobicContact CD1-CD1 4.19Å; L261-F394 HydrophobicContact CD2-CE1 4.02Å; L261-P398 HydrophobicContact CD2-CB 3.75Å; L261-A402 HydrophobicContact CD1-CB 4.32Å; L261-V405 HydrophobicContact CD1-CG2 4.39Å |
| 262 | F | 92.6 | Very high | 87.5 | Confident | 92 Ų | 92 | 81.9 Ų | 81.9 | 40% | 0.404 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -87.5 | -25.9 | -179.1 | -66.8 | -76.5 | 0 | 0 | 0 | 113.3 | I258 L259 E260 I271 I275 V405 | I258-F262 HydrophobicContact CG2-CE2 4.09Å; I258-F262 VanDerWaalsContact O-CD2 3.28Å; I258-F262 WeakPolarHBondContact O-CD2 3.43Å; L259-F262 PolarHBondContact O-N 3.39Å; E260-F262 VanDerWaalsContact C-N 3.27Å; E260-F262 PolarHBondContact O-N 3.24Å; F262-I271 HydrophobicContact CD1-CG2 4.25Å; F262-I271 HydrophobicContact CE1-CG1 4.31Å; F262-I271 HydrophobicContact CE1-CG2 4.27Å; F262-I271 HydrophobicContact CZ-CG1 4.32Å; F262-I275 HydrophobicContact CE1-CD1 3.7Å; F262-I275 HydrophobicContact CZ-CD1 3.89Å; F262-V405 HydrophobicContact CE2-CG1 4.32Å; F262-V405 HydrophobicContact CE2-CG2 4.16Å; F262-V405 HydrophobicContact CZ-CG1 3.77Å; F262-V405 HydrophobicContact CZ-CG2 4.43Å |
| 263 | R | 91.3 | Very high | 88.2 | Confident | 187 Ų | 187 | 71.9 Ų | 71.9 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -84.1 | -36.7 | -179.3 | -72.3 | -179.7 | 175.9 | -176.4 | -2.4 | 113.1 | L259 E260 | L259-R263 VanDerWaalsContact CD2-CZ 3.48Å; L259-R263 WeakPolarHBondContact O-CG 3.33Å; L259-R263 PolarHBondContact O-N 3.37Å; E260-R263 PolarHBondContact O-N 3.44Å |
| 264 | S | 88.3 | Confident | 88.9 | Confident | 33 Ų | 33 | 68.7 Ų | 68.7 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | trans | -77.9 | 127.3 | -176.6 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | E260 L266 Y267 R268 | E260-S264 VanDerWaalsContact O-CB 3.3Å; E260-S264 WeakPolarHBondContact O-CB 3.49Å; E260-S264 PolarHBondContact O-N 2.83Å; S264-L266 PolarHBondContact O-N 2.81Å; S264-L266 PolarHBondContact OG-N 3.3Å; S264-Y267 PolarHBondContact O-N 2.98Å; S264-Y267 VanDerWaalsContact O-N 3.17Å; S264-R268 WeakPolarHBondContact O-CB 3.45Å; S264-R268 PolarHBondContact O-N 3.36Å | ||
| 265 | P | 85.9 | Confident | 89.5 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 72% | 0.721 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.6 | -26.3 | 176.2 | 25.4 | -33.1 | 0 | 0 | 0 | 112.4 | Y267 | P265-Y267 PolarHBondContact O-N 3.45Å |
| 266 | L | 85 | Confident | 90.4 | Very high | 69 Ų | 69 | 56.5 Ų | 56.5 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 177.5 | -174.8 | 68.2 | 0 | 0 | 0 | 112.6 | S264 R467 | S264-L266 PolarHBondContact O-N 2.81Å; S264-L266 PolarHBondContact OG-N 3.3Å; L266-R467 HydrophobicContact CD1-CG 3.88Å |
| 267 | Y | 88.1 | Confident | 90.9 | Very high | 52 Ų | 52 | 56 Ų | 56 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -99.4 | -18.2 | -174.5 | -57 | -47.8 | 0 | 0 | 0 | 113.2 | V256 L261 S264 P265 Q269 P270 I271 P398 | V256-Y267 HydrophobicContact CB-CE2 4.48Å; V256-Y267 HydrophobicContact CG1-CD2 4Å; V256-Y267 HydrophobicContact CG1-CE2 3.82Å; V256-Y267 HydrophobicContact CG2-CE2 3.83Å; L261-Y267 HydrophobicContact CD2-CD2 4.33Å; L261-Y267 HydrophobicContact CD2-CG 4.1Å; L261-Y267 CarbonylContact O-C 3.41Å; L261-Y267 WeakPolarHBondContact O-CB 3.25Å; S264-Y267 PolarHBondContact O-N 2.98Å; S264-Y267 VanDerWaalsContact O-N 3.17Å; P265-Y267 PolarHBondContact O-N 3.45Å; Y267-Q269 PolarHBondContact O-N 2.88Å; Y267-P270 WeakPolarHBondContact O-CD 3.3Å; Y267-I271 WeakPolarHBondContact O-CB 3.48Å; Y267-I271 VanDerWaalsContact O-CG2 3.3Å; Y267-I271 WeakPolarHBondContact O-CG2 3.3Å; Y267-I271 PolarHBondContact O-N 2.86Å; Y267-P398 HydrophobicContact CD1-CB 4.4Å; Y267-P398 HydrophobicContact CD1-CG 4.36Å; Y267-P398 HydrophobicContact CE1-CB 4.19Å; Y267-P398 HydrophobicContact CE1-CG 3.85Å |
| 268 | R | 90 | Very high | 91.2 | Very high | 153 Ų | 153 | 52.5 Ų | 52.5 | 58% | 0.577 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.1 | -44.7 | -173.8 | -170.6 | 175.3 | 179.5 | -172.8 | 1 | 113.2 | S264 I271 I272 | S264-R268 WeakPolarHBondContact O-CB 3.45Å; S264-R268 PolarHBondContact O-N 3.36Å; R268-I271 VanDerWaalsContact O-CG2 3.32Å; R268-I271 WeakPolarHBondContact O-CG2 3.45Å; R268-I272 HydrophobicContact CG-CD1 3.87Å; R268-I272 WeakPolarHBondContact O-CB 3.44Å; R268-I272 WeakPolarHBondContact O-CD1 3.02Å; R268-I272 WeakPolarHBondContact O-CG1 3.12Å; R268-I272 PolarHBondContact O-N 3.33Å |
| 269 | Q | 90.1 | Very high | 91.5 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.5 | -48.5 | 179.5 | -176.3 | 175.2 | 2.8 | 0 | 0 | 112.3 | Y267 I271 I272 I273 F466 | Y267-Q269 PolarHBondContact O-N 2.88Å; Q269-I271 VanDerWaalsContact C-N 3.31Å; Q269-I271 PolarHBondContact O-N 3.39Å; Q269-I272 PolarHBondContact O-N 3.5Å; Q269-I273 HydrophobicContact CG-CD1 4.15Å; Q269-I273 WeakPolarHBondContact O-CG1 3.35Å; Q269-I273 PolarHBondContact O-N 3.08Å; Q269-F466 HydrophobicContact CB-CD1 4.25Å; Q269-F466 VanDerWaalsContact CD-CD1 3.42Å; Q269-F466 HydrophobicContact CG-CD1 3.75Å; Q269-F466 HydrophobicContact CG-CE1 3.77Å |
| 270 | P | 91.2 | Very high | 91.9 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.3 | -41.6 | 172 | -28.5 | 33.9 | 0 | 0 | 0 | 114.1 | Y267 I273 A274 L393 F394 F466 | Y267-P270 WeakPolarHBondContact O-CD 3.3Å; P270-I273 PolarHBondContact O-N 3.45Å; P270-A274 WeakPolarHBondContact O-CB 3.36Å; P270-A274 PolarHBondContact O-N 3.39Å; P270-L393 HydrophobicContact CB-CB 4.48Å; P270-F394 HydrophobicContact CB-CE1 3.79Å; P270-F394 HydrophobicContact CB-CE2 3.98Å; P270-F394 HydrophobicContact CB-CZ 3.51Å; P270-F466 HydrophobicContact CB-CE2 4.45Å; P270-F466 HydrophobicContact CG-CD2 3.79Å; P270-F466 HydrophobicContact CG-CE2 3.82Å; P270-F466 HydrophobicContact CG-CG 4.23Å; P270-F466 HydrophobicContact CG-CZ 4.29Å |
| 271 | I | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.5 | -35.5 | -177.5 | -163.6 | 61.1 | 0 | 0 | 0 | 112 | L261 F262 Y267 R268 Q269 I273 A274 I275 F394 A402 V405 | L261-I271 HydrophobicContact CB-CG1 4.46Å; L261-I271 HydrophobicContact CD1-CD1 4.19Å; F262-I271 HydrophobicContact CD1-CG2 4.25Å; F262-I271 HydrophobicContact CE1-CG1 4.31Å; F262-I271 HydrophobicContact CE1-CG2 4.27Å; F262-I271 HydrophobicContact CZ-CG1 4.32Å; Y267-I271 WeakPolarHBondContact O-CB 3.48Å; Y267-I271 VanDerWaalsContact O-CG2 3.3Å; Y267-I271 WeakPolarHBondContact O-CG2 3.3Å; Y267-I271 PolarHBondContact O-N 2.86Å; R268-I271 VanDerWaalsContact O-CG2 3.32Å; R268-I271 WeakPolarHBondContact O-CG2 3.45Å; Q269-I271 VanDerWaalsContact C-N 3.31Å; Q269-I271 PolarHBondContact O-N 3.39Å; I271-I273 VanDerWaalsContact C-N 3.31Å; I271-I273 PolarHBondContact O-N 3.19Å; I271-A274 HydrophobicContact CD1-CB 4.3Å; I271-A274 PolarHBondContact O-N 3.28Å; I271-I275 HydrophobicContact CG1-CD1 4.16Å; I271-I275 WeakPolarHBondContact O-CB 3.44Å; I271-I275 VanDerWaalsContact O-CG1 3.25Å; I271-I275 WeakPolarHBondContact O-CG1 3.5Å; I271-I275 PolarHBondContact O-N 3Å; I271-F394 HydrophobicContact CB-CZ 3.91Å; I271-F394 HydrophobicContact CD1-CE2 4.42Å; I271-F394 HydrophobicContact CD1-CZ 3.93Å; I271-A402 HydrophobicContact CD1-CB 4.07Å; I271-V405 HydrophobicContact CD1-CB 4.06Å; I271-V405 HydrophobicContact CD1-CG1 3.89Å; I271-V405 HydrophobicContact CG1-CG1 4.14Å |
| 272 | I | 95.1 | Very high | 92.4 | Very high | 66 Ų | 66 | 45.5 Ų | 45.5 | 34% | 0.338 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -42.7 | 172.4 | -72.5 | 167.7 | 0 | 0 | 0 | 110.3 | R268 Q269 I275 I276 F446 | R268-I272 HydrophobicContact CG-CD1 3.87Å; R268-I272 WeakPolarHBondContact O-CB 3.44Å; R268-I272 WeakPolarHBondContact O-CD1 3.02Å; R268-I272 WeakPolarHBondContact O-CG1 3.12Å; R268-I272 PolarHBondContact O-N 3.33Å; Q269-I272 PolarHBondContact O-N 3.5Å; I272-I275 PolarHBondContact O-N 2.84Å; I272-I276 HydrophobicContact CG2-CD1 3.67Å; I272-I276 HydrophobicContact CG2-CG1 4.46Å; I272-I276 WeakPolarHBondContact O-CB 3.47Å; I272-I276 WeakPolarHBondContact O-CG1 3.26Å; I272-I276 PolarHBondContact O-N 3.31Å; I272-F446 HydrophobicContact CG2-CZ 4.26Å |
| 273 | I | 94.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -49.2 | 175.6 | -69 | 162.9 | 0 | 0 | 0 | 110.6 | Q269 P270 I271 I275 I276 L277 L393 F446 K450 V451 F466 | Q269-I273 HydrophobicContact CG-CD1 4.15Å; Q269-I273 WeakPolarHBondContact O-CG1 3.35Å; Q269-I273 PolarHBondContact O-N 3.08Å; P270-I273 PolarHBondContact O-N 3.45Å; I271-I273 VanDerWaalsContact C-N 3.31Å; I271-I273 PolarHBondContact O-N 3.19Å; I273-I275 VanDerWaalsContact C-N 3.34Å; I273-I275 PolarHBondContact O-N 2.6Å; I273-I276 PolarHBondContact O-N 3.37Å; I273-L277 HydrophobicContact CG2-CD1 3.76Å; I273-L277 HydrophobicContact CG2-CG 4.22Å; I273-L277 WeakPolarHBondContact O-CB 3.22Å; I273-L277 VanDerWaalsContact O-CG 3.3Å; I273-L277 WeakPolarHBondContact O-CG 3.46Å; I273-L277 PolarHBondContact O-N 3.02Å; I273-L393 HydrophobicContact CB-CD1 4.14Å; I273-L393 HydrophobicContact CG2-CD1 3.7Å; I273-F446 HydrophobicContact CG1-CE1 4.28Å; I273-F446 HydrophobicContact CG1-CZ 4.15Å; I273-K450 VanDerWaalsContact CD1-O 3.23Å; I273-K450 WeakPolarHBondContact CD1-O 3.05Å; I273-V451 HydrophobicContact CG2-CG2 3.94Å; I273-F466 HydrophobicContact CD1-CE1 3.5Å; I273-F466 VanDerWaalsContact CD1-CE1 3.5Å; I273-F466 HydrophobicContact CD1-CZ 3.58Å |
| 274 | A | 92.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.8 | -48.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | P270 I271 Q278 V390 F394 | P270-A274 WeakPolarHBondContact O-CB 3.36Å; P270-A274 PolarHBondContact O-N 3.39Å; I271-A274 HydrophobicContact CD1-CB 4.3Å; I271-A274 PolarHBondContact O-N 3.28Å; A274-Q278 VanDerWaalsContact O-CG 3.22Å; A274-Q278 WeakPolarHBondContact O-CG 3.5Å; A274-Q278 PolarHBondContact O-N 2.73Å; A274-V390 HydrophobicContact CB-CG2 3.77Å; A274-F394 HydrophobicContact CB-CE2 4.19Å |
| 275 | I | 95.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 32.3 Ų | 32.3 | 17% | 0.169 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -50.9 | 178 | -69.3 | 166.8 | 0 | 0 | 0 | 110.6 | F262 I271 I272 I273 L277 Q278 L279 V405 | F262-I275 HydrophobicContact CE1-CD1 3.7Å; F262-I275 HydrophobicContact CZ-CD1 3.89Å; I271-I275 HydrophobicContact CG1-CD1 4.16Å; I271-I275 WeakPolarHBondContact O-CB 3.44Å; I271-I275 VanDerWaalsContact O-CG1 3.25Å; I271-I275 WeakPolarHBondContact O-CG1 3.5Å; I271-I275 PolarHBondContact O-N 3Å; I272-I275 PolarHBondContact O-N 2.84Å; I273-I275 VanDerWaalsContact C-N 3.34Å; I273-I275 PolarHBondContact O-N 2.6Å; I275-L277 VanDerWaalsContact C-N 3.32Å; I275-L277 PolarHBondContact O-N 3.4Å; I275-Q278 WeakPolarHBondContact O-CB 3.31Å; I275-Q278 PolarHBondContact O-N 3.02Å; I275-Q278 VanDerWaalsContact O-N 3.08Å; I275-L279 HydrophobicContact CG2-CD1 4.08Å; I275-L279 HydrophobicContact CG2-CG 4.26Å; I275-L279 WeakPolarHBondContact O-CG 3.49Å; I275-L279 PolarHBondContact O-N 2.64Å; I275-V405 HydrophobicContact CD1-CG1 3.82Å; I275-V405 HydrophobicContact CG1-CG1 3.85Å |
| 276 | I | 96.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 27.1 Ų | 27.1 | 13% | 0.133 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.7 | -34.5 | -175.1 | -70.3 | 172.2 | 0 | 0 | 0 | 112 | I272 I273 Q278 L279 S280 F443 F446 | I272-I276 HydrophobicContact CG2-CD1 3.67Å; I272-I276 HydrophobicContact CG2-CG1 4.46Å; I272-I276 WeakPolarHBondContact O-CB 3.47Å; I272-I276 WeakPolarHBondContact O-CG1 3.26Å; I272-I276 PolarHBondContact O-N 3.31Å; I273-I276 PolarHBondContact O-N 3.37Å; I276-Q278 VanDerWaalsContact C-N 3.34Å; I276-L279 PolarHBondContact O-N 3.4Å; I276-S280 WeakPolarHBondContact O-CB 3.35Å; I276-S280 PolarHBondContact O-N 3.18Å; I276-F443 HydrophobicContact CG2-CD1 3.78Å; I276-F443 HydrophobicContact CG2-CE1 4.02Å; I276-F446 HydrophobicContact CB-CD1 4.15Å; I276-F446 HydrophobicContact CB-CE1 3.82Å; I276-F446 HydrophobicContact CB-CZ 4.12Å; I276-F446 HydrophobicContact CD1-CD1 4.41Å; I276-F446 HydrophobicContact CD1-CD2 3.8Å; I276-F446 HydrophobicContact CD1-CE1 3.97Å; I276-F446 HydrophobicContact CD1-CE2 3.28Å; I276-F446 HydrophobicContact CD1-CG 4.33Å; I276-F446 HydrophobicContact CD1-CZ 3.39Å; I276-F446 HydrophobicContact CG1-CE1 4.49Å; I276-F446 HydrophobicContact CG1-CZ 4.31Å; I276-F446 HydrophobicContact CG2-CB 4.46Å; I276-F446 HydrophobicContact CG2-CD1 3.4Å; I276-F446 VanDerWaalsContact CG2-CD1 3.4Å; I276-F446 HydrophobicContact CG2-CD2 4.34Å; I276-F446 HydrophobicContact CG2-CE1 3.63Å; I276-F446 HydrophobicContact CG2-CG 3.8Å; I276-F446 HydrophobicContact CG2-CZ 4.2Å |
| 277 | L | 94.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.4 | -33.8 | 173.5 | -70.4 | 176.6 | 0 | 0 | 0 | 112.7 | I273 I275 S280 Q281 H336 P386 I389 V451 | I273-L277 HydrophobicContact CG2-CD1 3.76Å; I273-L277 HydrophobicContact CG2-CG 4.22Å; I273-L277 WeakPolarHBondContact O-CB 3.22Å; I273-L277 VanDerWaalsContact O-CG 3.3Å; I273-L277 WeakPolarHBondContact O-CG 3.46Å; I273-L277 PolarHBondContact O-N 3.02Å; I275-L277 VanDerWaalsContact C-N 3.32Å; I275-L277 PolarHBondContact O-N 3.4Å; L277-S280 PolarHBondContact O-N 3.49Å; L277-S280 PolarHBondContact O-OG 2.91Å; L277-Q281 PolarHBondContact O-N 3.08Å; L277-H336 WeakPolarHBondContact CD2-NE2 3.43Å; L277-P386 HydrophobicContact CB-CB 4.05Å; L277-P386 HydrophobicContact CB-CG 4.25Å; L277-P386 VanDerWaalsContact O-CG 3.28Å; L277-P386 WeakPolarHBondContact O-CG 3.42Å; L277-I389 HydrophobicContact CD1-CB 3.98Å; L277-I389 HydrophobicContact CD1-CD1 3.8Å; L277-I389 HydrophobicContact CD1-CG1 4.49Å; L277-I389 HydrophobicContact CD1-CG2 3.55Å; L277-V451 HydrophobicContact CD1-CG1 4.44Å; L277-V451 HydrophobicContact CD2-CG2 4.08Å; L277-V451 HydrophobicContact CG-CG2 4.42Å |
| 278 | Q | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -71.9 | -37 | 173.7 | -64.5 | -68.3 | -4 | 0 | 0 | 111.5 | A274 I275 I276 Q281 Q282 P386 A406 N410 | A274-Q278 VanDerWaalsContact O-CG 3.22Å; A274-Q278 WeakPolarHBondContact O-CG 3.5Å; A274-Q278 PolarHBondContact O-N 2.73Å; I275-Q278 WeakPolarHBondContact O-CB 3.31Å; I275-Q278 PolarHBondContact O-N 3.02Å; I275-Q278 VanDerWaalsContact O-N 3.08Å; I276-Q278 VanDerWaalsContact C-N 3.34Å; Q278-Q281 PolarHBondContact O-N 3.19Å; Q278-Q282 PolarHBondContact O-N 3.22Å; Q278-P386 PolarHBondContact NE2-O 3.15Å; Q278-A406 HydrophobicContact CG-CB 3.85Å; Q278-A406 WeakPolarHBondContact CG-O 3.34Å; Q278-N410 HydrophobicContact CB-CB 4.16Å; Q278-N410 PolarHBondContact OE1-ND2 3.47Å |
| 279 | L | 96.2 | Very high | 93.3 | Very high | 49 Ų | 49 | 14.6 Ų | 14.6 | 26% | 0.257 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -64 | -41.1 | 170.9 | -63.9 | -178.6 | 0 | 0 | 0 | 111.2 | I275 I276 Q281 Q282 L283 A413 F443 | I275-L279 HydrophobicContact CG2-CD1 4.08Å; I275-L279 HydrophobicContact CG2-CG 4.26Å; I275-L279 WeakPolarHBondContact O-CG 3.49Å; I275-L279 PolarHBondContact O-N 2.64Å; I276-L279 PolarHBondContact O-N 3.4Å; L279-Q281 VanDerWaalsContact C-N 3.3Å; L279-Q281 PolarHBondContact O-N 3.45Å; L279-Q282 PolarHBondContact O-N 3.49Å; L279-L283 HydrophobicContact CB-CD1 4.26Å; L279-L283 HydrophobicContact CD2-CD1 4.42Å; L279-L283 WeakPolarHBondContact O-CA 3.39Å; L279-L283 WeakPolarHBondContact O-CB 3.39Å; L279-L283 WeakPolarHBondContact O-CG 3.38Å; L279-L283 PolarHBondContact O-N 2.9Å; L279-A413 HydrophobicContact CD2-CB 3.71Å; L279-F443 HydrophobicContact CB-CE1 4.03Å; L279-F443 HydrophobicContact CB-CZ 3.97Å |
| 280 | S | 96.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.007 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.1 | -35.5 | 179.7 | 78.4 | 0 | 0 | 0 | 0 | 112.5 | I276 L277 S284 H336 | I276-S280 WeakPolarHBondContact O-CB 3.35Å; I276-S280 PolarHBondContact O-N 3.18Å; L277-S280 PolarHBondContact O-N 3.49Å; L277-S280 PolarHBondContact O-OG 2.91Å; S280-S284 VanDerWaalsContact O-CB 3.25Å; S280-S284 WeakPolarHBondContact O-CB 3.42Å; S280-S284 PolarHBondContact O-N 3.27Å; S280-H336 PolarHBondContact OG-CE1 3.28Å; S280-H336 VanDerWaalsContact OG-CE1 3.28Å; S280-H336 PolarHBondContact OG-NE2 2.89Å |
| 281 | Q | 94.8 | Very high | 93 | Very high | 10 Ų | 10 | 12.2 Ų | 12.2 | 5% | 0.047 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.3 | -51.4 | 172.8 | -177.3 | 173.9 | 101.4 | 0 | 0 | 111.9 | L277 Q278 L279 S284 F378 P382 G383 P386 N410 | L277-Q281 PolarHBondContact O-N 3.08Å; Q278-Q281 PolarHBondContact O-N 3.19Å; L279-Q281 VanDerWaalsContact C-N 3.3Å; L279-Q281 PolarHBondContact O-N 3.45Å; Q281-S284 WeakPolarHBondContact O-CB 3.48Å; Q281-S284 PolarHBondContact O-OG 2.92Å; Q281-F378 HydrophobicContact CG-CE2 3.83Å; Q281-F378 HydrophobicContact CG-CZ 3.92Å; Q281-P382 WeakPolarHBondContact CG-O 3.5Å; Q281-P382 PolarHBondContact NE2-O 2.94Å; Q281-G383 PolarHBondContact NE2-O 3.26Å; Q281-P386 HydrophobicContact CB-CG 4.22Å; Q281-N410 PolarHBondContact OE1-ND2 2.93Å |
| 282 | Q | 94.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 12.2 Ų | 12.2 | 6% | 0.061 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -85.9 | -44.5 | -168.2 | -62.5 | -64.9 | -10.8 | 0 | 0 | 112.5 | Q278 L279 S284 G285 N287 N410 A413 N414 | Q278-Q282 PolarHBondContact O-N 3.22Å; L279-Q282 PolarHBondContact O-N 3.49Å; Q282-S284 PolarHBondContact O-N 3.28Å; Q282-G285 PolarHBondContact O-N 3.35Å; Q282-N287 PolarHBondContact OE1-ND2 3.43Å; Q282-N410 WeakPolarHBondContact CG-O 3.46Å; Q282-N410 VanDerWaalsContact NE2-CG 3.31Å; Q282-N410 PolarHBondContact NE2-ND2 3.37Å; Q282-N410 VanDerWaalsContact NE2-ND2 3.18Å; Q282-N410 PolarHBondContact NE2-OD1 3.4Å; Q282-A413 HydrophobicContact CB-CB 3.53Å; Q282-A413 HydrophobicContact CG-CB 4.21Å; Q282-N414 HydrophobicContact CG-CB 4.47Å |
| 283 | L | 95.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 9.2 Ų | 9.2 | 18% | 0.183 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -1 | 176.8 | -58.7 | -176.2 | 0 | 0 | 0 | 113.1 | L279 G285 A413 V417 L439 F443 | L279-L283 HydrophobicContact CB-CD1 4.26Å; L279-L283 HydrophobicContact CD2-CD1 4.42Å; L279-L283 WeakPolarHBondContact O-CA 3.39Å; L279-L283 WeakPolarHBondContact O-CB 3.39Å; L279-L283 WeakPolarHBondContact O-CG 3.38Å; L279-L283 PolarHBondContact O-N 2.9Å; L283-G285 PolarHBondContact O-N 3.05Å; L283-A413 HydrophobicContact CD2-CB 4.09Å; L283-A413 HydrophobicContact CG-CB 4.11Å; L283-V417 HydrophobicContact CD2-CG2 3.71Å; L283-L439 HydrophobicContact CB-CD1 4.36Å; L283-F443 HydrophobicContact CB-CE2 3.91Å; L283-F443 HydrophobicContact CB-CZ 4.13Å; L283-F443 HydrophobicContact CD1-CZ 4.17Å |
| 284 | S | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.3 | 165.2 | 66 | 0 | 0 | 0 | 0 | 112.5 | S280 Q281 Q282 I286 M343 F374 F436 | S280-S284 VanDerWaalsContact O-CB 3.25Å; S280-S284 WeakPolarHBondContact O-CB 3.42Å; S280-S284 PolarHBondContact O-N 3.27Å; Q281-S284 WeakPolarHBondContact O-CB 3.48Å; Q281-S284 PolarHBondContact O-OG 2.92Å; Q282-S284 PolarHBondContact O-N 3.28Å; S284-I286 PolarHBondContact OG-N 3.34Å; S284-M343 VanDerWaalsContact CB-CE 3.48Å; S284-F374 WeakPolarHBondContact O-CZ 3.31Å; S284-F436 WeakPolarHBondContact O-CB 3.39Å |
| 285 | G | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | S | Bend | trans | 97.6 | 4.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q282 L283 N287 A288 V289 F436 | Q282-G285 PolarHBondContact O-N 3.35Å; L283-G285 PolarHBondContact O-N 3.05Å; G285-N287 VanDerWaalsContact C-N 3.29Å; G285-N287 PolarHBondContact O-N 3.49Å; G285-A288 VanDerWaalsContact O-CB 3.25Å; G285-A288 WeakPolarHBondContact O-CB 2.99Å; G285-A288 PolarHBondContact O-N 3.34Å; G285-V289 PolarHBondContact O-N 2.92Å; G285-F436 VanDerWaalsContact CA-CE1 3.45Å |
| 286 | I | 92.6 | Very high | 92 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.01 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.9 | -38 | -178.8 | -165.8 | 65 | 0 | 0 | 0 | 113.7 | S284 A288 V289 F290 F374 V375 F378 | S284-I286 PolarHBondContact OG-N 3.34Å; I286-A288 VanDerWaalsContact C-N 3.27Å; I286-A288 PolarHBondContact O-N 3.33Å; I286-V289 WeakPolarHBondContact O-CA 3.45Å; I286-V289 VanDerWaalsContact O-CB 3.31Å; I286-V289 WeakPolarHBondContact O-CB 3.25Å; I286-V289 PolarHBondContact O-N 3.41Å; I286-V289 VanDerWaalsContact O-N 3.09Å; I286-F290 HydrophobicContact CD1-CE2 4Å; I286-F290 HydrophobicContact CD1-CZ 4.08Å; I286-F290 HydrophobicContact CG1-CD2 3.88Å; I286-F290 HydrophobicContact CG1-CE2 3.39Å; I286-F290 HydrophobicContact CG1-CZ 4Å; I286-F290 PolarHBondContact O-N 3.28Å; I286-F374 HydrophobicContact CB-CE1 4.42Å; I286-F374 HydrophobicContact CD1-CD1 4.06Å; I286-F374 HydrophobicContact CD1-CE1 3.9Å; I286-V375 HydrophobicContact CD1-CG2 4.02Å; I286-F378 HydrophobicContact CB-CD2 3.86Å; I286-F378 HydrophobicContact CB-CE2 3.86Å; I286-F378 HydrophobicContact CB-CG 4.24Å; I286-F378 HydrophobicContact CB-CZ 4.24Å; I286-F378 HydrophobicContact CD1-CB 3.88Å; I286-F378 HydrophobicContact CD1-CD1 3.9Å; I286-F378 HydrophobicContact CD1-CD2 4.21Å; I286-F378 HydrophobicContact CD1-CG 3.72Å; I286-F378 HydrophobicContact CG1-CB 4.43Å; I286-F378 HydrophobicContact CG1-CD1 3.72Å; I286-F378 HydrophobicContact CG1-CD2 3.85Å; I286-F378 HydrophobicContact CG1-CE1 3.86Å; I286-F378 HydrophobicContact CG1-CE2 3.98Å; I286-F378 HydrophobicContact CG1-CG 3.72Å; I286-F378 HydrophobicContact CG1-CZ 3.98Å; I286-F378 HydrophobicContact CG2-CD2 4.11Å; I286-F378 HydrophobicContact CG2-CE1 4.48Å; I286-F378 HydrophobicContact CG2-CE2 3.57Å; I286-F378 HydrophobicContact CG2-CZ 3.78Å |
| 287 | N | 87.6 | Confident | 91.8 | Very high | 9 Ų | 9 | 9.6 Ų | 9.6 | 5% | 0.048 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -69.4 | -26.9 | 176.4 | -71.3 | -20.2 | 0 | 0 | 0 | 112.9 | Q282 G285 V289 F290 Y291 N414 V417 | Q282-N287 PolarHBondContact OE1-ND2 3.43Å; G285-N287 VanDerWaalsContact C-N 3.29Å; G285-N287 PolarHBondContact O-N 3.49Å; N287-V289 PolarHBondContact O-N 3.41Å; N287-F290 PolarHBondContact O-N 2.74Å; N287-Y291 HydrophobicContact CB-CD2 3.9Å; N287-Y291 HydrophobicContact CB-CE2 3.64Å; N287-Y291 VanDerWaalsContact O-CB 3.24Å; N287-Y291 WeakPolarHBondContact O-CB 3.43Å; N287-Y291 VanDerWaalsContact O-CD2 3.27Å; N287-Y291 WeakPolarHBondContact O-CD2 3.1Å; N287-Y291 PolarHBondContact O-N 3.49Å; N287-N414 PolarHBondContact ND2-ND2 3.17Å; N287-N414 PolarHBondContact ND2-OD1 3.19Å; N287-V417 HydrophobicContact CB-CG1 4.23Å |
| 288 | A | 88.8 | Confident | 91.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.9 | -37.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G285 I286 Y292 V417 F421 F436 | G285-A288 VanDerWaalsContact O-CB 3.25Å; G285-A288 WeakPolarHBondContact O-CB 2.99Å; G285-A288 PolarHBondContact O-N 3.34Å; I286-A288 VanDerWaalsContact C-N 3.27Å; I286-A288 PolarHBondContact O-N 3.33Å; A288-Y292 WeakPolarHBondContact O-CA 3.43Å; A288-Y292 VanDerWaalsContact O-CB 3.29Å; A288-Y292 WeakPolarHBondContact O-CB 3.34Å; A288-Y292 PolarHBondContact O-N 2.84Å; A288-V417 HydrophobicContact CB-CG1 4.35Å; A288-F421 HydrophobicContact CB-CD1 4.19Å; A288-F421 HydrophobicContact CB-CD2 3.45Å; A288-F421 VanDerWaalsContact CB-CD2 3.45Å; A288-F421 HydrophobicContact CB-CE1 4.22Å; A288-F421 HydrophobicContact CB-CE2 3.51Å; A288-F421 HydrophobicContact CB-CG 3.8Å; A288-F421 HydrophobicContact CB-CZ 3.89Å; A288-F436 HydrophobicContact CB-CE2 4.16Å; A288-F436 HydrophobicContact CB-CZ 4.04Å |
| 289 | V | 90.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.6 | -54.3 | 170.5 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | G285 I286 N287 Y291 Y292 S293 I371 F374 V375 | G285-V289 PolarHBondContact O-N 2.92Å; I286-V289 WeakPolarHBondContact O-CA 3.45Å; I286-V289 VanDerWaalsContact O-CB 3.31Å; I286-V289 WeakPolarHBondContact O-CB 3.25Å; I286-V289 PolarHBondContact O-N 3.41Å; I286-V289 VanDerWaalsContact O-N 3.09Å; N287-V289 PolarHBondContact O-N 3.41Å; V289-Y291 VanDerWaalsContact C-N 3.34Å; V289-Y291 PolarHBondContact O-N 3.25Å; V289-Y292 PolarHBondContact O-N 3.26Å; V289-S293 WeakPolarHBondContact O-CA 3.36Å; V289-S293 WeakPolarHBondContact O-CB 3.4Å; V289-S293 PolarHBondContact O-N 3.12Å; V289-S293 PolarHBondContact O-OG 3.31Å; V289-I371 HydrophobicContact CG1-CG2 3.7Å; V289-I371 HydrophobicContact CG2-CD1 4Å; V289-F374 HydrophobicContact CG2-CD1 4.12Å; V289-F374 HydrophobicContact CG2-CE1 4.04Å; V289-V375 HydrophobicContact CG1-CG2 4.06Å |
| 290 | F | 87.3 | Confident | 91.2 | Very high | 9 Ų | 9 | 15.8 Ų | 15.8 | 4% | 0.039 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.3 | -31.2 | -174.9 | -68.1 | -44.3 | 0 | 0 | 0 | 114.9 | N33 I167 I286 N287 N316 | N33-F290 WeakPolarHBondContact CB-O 3.48Å; N33-F290 PolarHBondContact ND2-O 3.49Å; I167-F290 HydrophobicContact CD1-CD2 4.4Å; I167-F290 HydrophobicContact CD1-CE2 4.32Å; I167-F290 HydrophobicContact CD1-CZ 4.42Å; I167-F290 HydrophobicContact CG2-CD1 4.15Å; I167-F290 HydrophobicContact CG2-CE1 4.38Å; I286-F290 HydrophobicContact CD1-CE2 4Å; I286-F290 HydrophobicContact CD1-CZ 4.08Å; I286-F290 HydrophobicContact CG1-CD2 3.88Å; I286-F290 HydrophobicContact CG1-CE2 3.39Å; I286-F290 HydrophobicContact CG1-CZ 4Å; I286-F290 PolarHBondContact O-N 3.28Å; N287-F290 PolarHBondContact O-N 2.74Å; F290-N316 WeakPolarHBondContact CE1-ND2 3.43Å; F290-N316 WeakPolarHBondContact CZ-ND2 3.36Å |
| 291 | Y | 86.6 | Confident | 91 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -87.9 | -29.7 | 178.3 | -59 | -28.9 | 0 | 0 | 0 | 113.2 | T29 I32 N33 V68 N287 V289 N414 A418 | T29-Y291 HydrophobicContact CG2-CE1 3.66Å; T29-Y291 WeakPolarHBondContact O-CD1 3.3Å; T29-Y291 WeakPolarHBondContact O-CE1 3.29Å; I32-Y291 HydrophobicContact CG2-CD1 4.45Å; N33-Y291 WeakPolarHBondContact CA-O 3.34Å; N33-Y291 WeakPolarHBondContact CB-O 3.36Å; V68-Y291 HydrophobicContact CG1-CD1 4.46Å; V68-Y291 HydrophobicContact CG1-CD2 3.93Å; V68-Y291 HydrophobicContact CG1-CE2 4.38Å; V68-Y291 HydrophobicContact CG1-CG 3.98Å; N287-Y291 HydrophobicContact CB-CD2 3.9Å; N287-Y291 HydrophobicContact CB-CE2 3.64Å; N287-Y291 VanDerWaalsContact O-CB 3.24Å; N287-Y291 WeakPolarHBondContact O-CB 3.43Å; N287-Y291 VanDerWaalsContact O-CD2 3.27Å; N287-Y291 WeakPolarHBondContact O-CD2 3.1Å; N287-Y291 PolarHBondContact O-N 3.49Å; V289-Y291 VanDerWaalsContact C-N 3.34Å; V289-Y291 PolarHBondContact O-N 3.25Å; Y291-N414 PolarHBondContact OH-ND2 2.94Å; Y291-N414 PolarHBondContact OH-OD1 3.31Å; Y291-A418 HydrophobicContact CD2-CB 4.09Å; Y291-A418 HydrophobicContact CE2-CB 3.78Å |
| 292 | Y | 87.2 | Confident | 90.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -132.7 | 12.4 | -168.5 | -49.2 | -65.6 | 0 | 0 | 0 | 114.6 | W64 V68 A288 V289 T294 R295 I296 A418 F421 Q422 | W64-Y292 AromaticContact NE1-CE1 3.74Å; V68-Y292 HydrophobicContact CG2-CE1 4.47Å; A288-Y292 WeakPolarHBondContact O-CA 3.43Å; A288-Y292 VanDerWaalsContact O-CB 3.29Å; A288-Y292 WeakPolarHBondContact O-CB 3.34Å; A288-Y292 PolarHBondContact O-N 2.84Å; V289-Y292 PolarHBondContact O-N 3.26Å; Y292-T294 VanDerWaalsContact C-N 3.25Å; Y292-T294 PolarHBondContact O-N 3.42Å; Y292-R295 WeakPolarHBondContact O-CB 3.32Å; Y292-R295 PolarHBondContact O-N 3.39Å; Y292-R295 VanDerWaalsContact O-N 3.08Å; Y292-I296 WeakPolarHBondContact O-CG1 3.42Å; Y292-I296 PolarHBondContact O-N 3.18Å; Y292-A418 PolarHBondContact OH-O 3.23Å; Y292-F421 HydrophobicContact CD2-CB 4.4Å; Y292-F421 AromaticContact CD2-CD1 3.18Å; Y292-F421 HydrophobicContact CD2-CD1 3.18Å; Y292-F421 AromaticContact CD2-CE1 3.68Å; Y292-F421 HydrophobicContact CD2-CE1 3.68Å; Y292-F421 HydrophobicContact CD2-CG 4.03Å; Y292-F421 HydrophobicContact CE2-CB 4.06Å; Y292-F421 AromaticContact CE2-CD1 3.62Å; Y292-F421 HydrophobicContact CE2-CD1 3.62Å; Y292-F421 HydrophobicContact CE2-CG 4.2Å; Y292-F421 AromaticContact CG-CD1 3.91Å; Y292-F421 HydrophobicContact CG-CD1 3.91Å; Y292-F421 HydrophobicContact CG-CE1 4.03Å; Y292-Q422 HydrophobicContact CD1-CG 4.39Å; Y292-Q422 HydrophobicContact CE1-CG 4.01Å; Y292-Q422 HydrophobicContact CE2-CG 4.44Å |
| 293 | S | 91.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.6 | -37.3 | -179.7 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | N33 V289 R295 I296 F297 T309 | N33-S293 PolarHBondContact ND2-N 2.95Å; N33-S293 PolarHBondContact ND2-OG 3.32Å; V289-S293 WeakPolarHBondContact O-CA 3.36Å; V289-S293 WeakPolarHBondContact O-CB 3.4Å; V289-S293 PolarHBondContact O-N 3.12Å; V289-S293 PolarHBondContact O-OG 3.31Å; S293-R295 VanDerWaalsContact C-N 3.3Å; S293-R295 PolarHBondContact O-N 2.63Å; S293-I296 PolarHBondContact O-N 2.77Å; S293-F297 WeakPolarHBondContact O-CB 3.3Å; S293-F297 WeakPolarHBondContact O-CD2 3.31Å; S293-F297 WeakPolarHBondContact O-CG 3.35Å; S293-F297 PolarHBondContact O-N 2.75Å; S293-T309 WeakPolarHBondContact CB-OG1 3.31Å; S293-T309 WeakPolarHBondContact OG-CB 3.41Å; S293-T309 WeakPolarHBondContact OG-CG2 3.29Å; S293-T309 PolarHBondContact OG-OG1 2.79Å |
| 294 | T | 90.8 | Very high | 90.2 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 11% | 0.11 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 179.2 | -50.8 | 0 | 0 | 0 | 0 | 110.3 | N33 Y292 E298 P305 V306 T309 | N33-T294 VanDerWaalsContact OD1-CB 3.23Å; N33-T294 WeakPolarHBondContact OD1-CB 3.41Å; N33-T294 PolarHBondContact OD1-N 2.79Å; N33-T294 VanDerWaalsContact OD1-N 3.16Å; N33-T294 PolarHBondContact OD1-OG1 3.09Å; Y292-T294 VanDerWaalsContact C-N 3.25Å; Y292-T294 PolarHBondContact O-N 3.42Å; T294-E298 VanDerWaalsContact O-CB 3.28Å; T294-E298 WeakPolarHBondContact O-CB 3.38Å; T294-E298 PolarHBondContact O-N 2.96Å; T294-P305 HydrophobicContact CG2-CB 3.94Å; T294-P305 WeakPolarHBondContact O-CB 3.35Å; T294-V306 HydrophobicContact CG2-CG2 3.81Å; T294-T309 PolarHBondContact N-OG1 3.14Å; T294-T309 PolarHBondContact OG1-OG1 3.48Å; T294-T309 VanDerWaalsContact OG1-OG1 3.12Å |
| 295 | R | 89.6 | Confident | 89.9 | Confident | 46 Ų | 46 | 32.7 Ų | 32.7 | 17% | 0.174 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -41.9 | 173.9 | 179.6 | -175.3 | 177.9 | 96.2 | -4.1 | 112.2 | Y292 S293 E298 K299 E425 | Y292-R295 WeakPolarHBondContact O-CB 3.32Å; Y292-R295 PolarHBondContact O-N 3.39Å; Y292-R295 VanDerWaalsContact O-N 3.08Å; S293-R295 VanDerWaalsContact C-N 3.3Å; S293-R295 PolarHBondContact O-N 2.63Å; R295-E298 PolarHBondContact O-N 3.31Å; R295-K299 WeakPolarHBondContact O-CG 3.43Å; R295-K299 PolarHBondContact O-N 3.47Å; R295-E425 IonicContact CZ-OE2 2.98Å; R295-E425 IonicContact NE-OE1 3.47Å; R295-E425 IonicContact NE-OE2 2.82Å; R295-E425 PolarHBondContact NE-OE2 2.81Å; R295-E425 IonicContact NH2-OE2 3.86Å; R295-E425 PolarHBondContact NH2-OE2 3.34Å |
| 296 | I | 90.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | 178 | -68.6 | 161.7 | 0 | 0 | 0 | 110.2 | Y292 S293 K299 A300 M350 F421 F433 | Y292-I296 WeakPolarHBondContact O-CG1 3.42Å; Y292-I296 PolarHBondContact O-N 3.18Å; S293-I296 PolarHBondContact O-N 2.77Å; I296-K299 PolarHBondContact O-N 2.76Å; I296-A300 WeakPolarHBondContact O-CB 3.44Å; I296-A300 PolarHBondContact O-N 3.34Å; I296-M350 HydrophobicContact CG2-CE 3.47Å; I296-M350 VanDerWaalsContact CG2-CE 3.47Å; I296-F421 HydrophobicContact CD1-CE1 4.38Å; I296-F421 HydrophobicContact CD1-CZ 3.98Å; I296-F421 HydrophobicContact CG1-CZ 4.27Å; I296-F433 HydrophobicContact CD1-CZ 4.18Å; I296-F433 HydrophobicContact CG2-CE2 4.47Å; I296-F433 HydrophobicContact CG2-CZ 4.29Å |
| 297 | F | 93.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.3 | -36.1 | 178.2 | -73.2 | -44.4 | 0 | 0 | 0 | 112.6 | S293 A300 R301 V302 P305 A308 I368 I371 | S293-F297 WeakPolarHBondContact O-CB 3.3Å; S293-F297 WeakPolarHBondContact O-CD2 3.31Å; S293-F297 WeakPolarHBondContact O-CG 3.35Å; S293-F297 PolarHBondContact O-N 2.75Å; F297-A300 CarbonylContact O-C 3.44Å; F297-A300 WeakPolarHBondContact O-CA 3.34Å; F297-A300 WeakPolarHBondContact O-CB 3.14Å; F297-A300 PolarHBondContact O-N 2.81Å; F297-R301 PolarHBondContact O-N 2.95Å; F297-V302 HydrophobicContact CB-CB 4.06Å; F297-V302 HydrophobicContact CB-CG2 4.04Å; F297-V302 HydrophobicContact CD1-CG2 4Å; F297-V302 HydrophobicContact CG-CG2 4.38Å; F297-V302 VanDerWaalsContact O-CB 3.31Å; F297-V302 WeakPolarHBondContact O-CB 3.38Å; F297-V302 WeakPolarHBondContact O-CG2 3.47Å; F297-V302 PolarHBondContact O-N 2.94Å; F297-P305 HydrophobicContact CB-CB 3.79Å; F297-A308 HydrophobicContact CD1-CB 4.29Å; F297-A308 HydrophobicContact CD2-CB 3.53Å; F297-A308 HydrophobicContact CE1-CB 4.35Å; F297-A308 HydrophobicContact CE2-CB 3.57Å; F297-A308 HydrophobicContact CG-CB 3.91Å; F297-A308 HydrophobicContact CZ-CB 3.99Å; F297-I368 HydrophobicContact CD1-CG1 4.25Å; F297-I368 HydrophobicContact CE1-CB 4.4Å; F297-I368 HydrophobicContact CE1-CG1 4.05Å; F297-I371 HydrophobicContact CE1-CB 3.97Å; F297-I371 HydrophobicContact CE1-CG1 3.85Å; F297-I371 HydrophobicContact CE1-CG2 4.35Å; F297-I371 HydrophobicContact CE2-CG2 4.36Å; F297-I371 HydrophobicContact CZ-CB 3.71Å; F297-I371 HydrophobicContact CZ-CG1 3.98Å; F297-I371 HydrophobicContact CZ-CG2 3.62Å |
| 298 | E | 91.9 | Very high | 90.1 | Very high | 83 Ų | 83 | 40 Ų | 40 | 39% | 0.388 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.8 | -47 | 172.7 | 179.8 | 170.8 | -148.5 | 0 | 0 | 111.9 | K37 T294 R295 A300 R301 P305 | K37-E298 WeakPolarHBondContact CE-OE2 3.39Å; K37-E298 IonicContact NZ-OE1 3.68Å; K37-E298 PolarHBondContact NZ-OE1 3.42Å; K37-E298 IonicContact NZ-OE2 2.91Å; K37-E298 PolarHBondContact NZ-OE2 2.85Å; T294-E298 VanDerWaalsContact O-CB 3.28Å; T294-E298 WeakPolarHBondContact O-CB 3.38Å; T294-E298 PolarHBondContact O-N 2.96Å; R295-E298 PolarHBondContact O-N 3.31Å; E298-A300 PolarHBondContact O-N 3.46Å; E298-R301 WeakPolarHBondContact O-CA 3.05Å; E298-R301 PolarHBondContact O-N 3.4Å; E298-P305 HydrophobicContact CB-CB 4.41Å; E298-P305 HydrophobicContact CB-CG 3.94Å |
| 299 | K | 89.5 | Confident | 90.3 | Very high | 95 Ų | 95 | 40 Ų | 40 | 41% | 0.413 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.9 | -29.7 | 174.1 | -76.2 | -171.8 | 176 | 178.7 | 0 | 112.8 | R295 I296 R301 L357 E425 | R295-K299 WeakPolarHBondContact O-CG 3.43Å; R295-K299 PolarHBondContact O-N 3.47Å; I296-K299 PolarHBondContact O-N 2.76Å; K299-R301 PolarHBondContact O-N 2.85Å; K299-L357 WeakPolarHBondContact O-CD2 3.27Å; K299-E425 WeakPolarHBondContact CD-OE1 3.45Å; K299-E425 WeakPolarHBondContact CE-OE1 3.22Å; K299-E425 IonicContact NZ-OE1 3.6Å; K299-E425 PolarHBondContact NZ-OE1 3.46Å; K299-E425 IonicContact NZ-OE2 3.75Å; K299-E425 PolarHBondContact NZ-OE2 2.92Å |
| 300 | A | 90.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 6.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | I296 F297 E298 V302 L354 L357 S364 S367 | I296-A300 WeakPolarHBondContact O-CB 3.44Å; I296-A300 PolarHBondContact O-N 3.34Å; F297-A300 CarbonylContact O-C 3.44Å; F297-A300 WeakPolarHBondContact O-CA 3.34Å; F297-A300 WeakPolarHBondContact O-CB 3.14Å; F297-A300 PolarHBondContact O-N 2.81Å; E298-A300 PolarHBondContact O-N 3.46Å; A300-V302 HydrophobicContact CB-CG2 4.26Å; A300-V302 PolarHBondContact O-N 3.32Å; A300-L354 HydrophobicContact CB-CD2 3.85Å; A300-L357 WeakPolarHBondContact O-CD1 3.24Å; A300-S364 VanDerWaalsContact O-CB 3.24Å; A300-S364 WeakPolarHBondContact O-CB 3.4Å; A300-S367 WeakPolarHBondContact CB-OG 3.32Å |
| 301 | R | 91.4 | Very high | 90.9 | Very high | 150 Ų | 150 | 41.6 Ų | 41.6 | 57% | 0.566 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 30.8 | -178 | -59.7 | -179 | -177.3 | -177.2 | 3 | 113.4 | F297 E298 K299 L357 | F297-R301 PolarHBondContact O-N 2.95Å; E298-R301 WeakPolarHBondContact O-CA 3.05Å; E298-R301 PolarHBondContact O-N 3.4Å; K299-R301 PolarHBondContact O-N 2.85Å; R301-L357 HydrophobicContact CB-CD2 4.42Å; R301-L357 HydrophobicContact CG-CD2 4.07Å |
| 302 | V | 92.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | trans | -68 | 126.3 | 171.6 | 175.3 | 0 | 0 | 0 | 0 | 108.2 | F297 A300 Q304 P305 A308 I368 | F297-V302 HydrophobicContact CB-CB 4.06Å; F297-V302 HydrophobicContact CB-CG2 4.04Å; F297-V302 HydrophobicContact CD1-CG2 4Å; F297-V302 HydrophobicContact CG-CG2 4.38Å; F297-V302 VanDerWaalsContact O-CB 3.31Å; F297-V302 WeakPolarHBondContact O-CB 3.38Å; F297-V302 WeakPolarHBondContact O-CG2 3.47Å; F297-V302 PolarHBondContact O-N 2.94Å; A300-V302 HydrophobicContact CB-CG2 4.26Å; A300-V302 PolarHBondContact O-N 3.32Å; V302-Q304 PolarHBondContact O-N 3.38Å; V302-P305 VanDerWaalsContact O-CD 3.31Å; V302-P305 WeakPolarHBondContact O-CD 3.38Å; V302-P305 WeakPolarHBondContact O-CG 3.48Å; V302-A308 HydrophobicContact CG1-CB 4.25Å; V302-I368 HydrophobicContact CG1-CD1 3.9Å; V302-I368 HydrophobicContact CG1-CG1 4.45Å; V302-I368 HydrophobicContact CG2-CD1 4Å; V302-I368 HydrophobicContact CG2-CG1 3.89Å | ||
| 303 | P | 87.3 | Confident | 91.5 | Very high | 107 Ų | 107 | 41.6 Ų | 41.6 | 70% | 0.695 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -59.3 | -33.6 | -174.7 | -26.8 | 34.2 | 0 | 0 | 0 | 114 | ||
| 304 | Q | 88.8 | Confident | 91.8 | Very high | 123 Ų | 123 | 45.2 Ų | 45.2 | 58% | 0.575 | 23% | 0.225 | S | C | * | . | trans | -131.6 | 74.7 | -176.6 | -75.3 | -172.8 | -15.5 | 0 | 0 | 111.2 | V302 V306 Y307 A308 | V302-Q304 PolarHBondContact O-N 3.38Å; Q304-V306 VanDerWaalsContact C-N 3.31Å; Q304-V306 PolarHBondContact O-N 3.03Å; Q304-Y307 HydrophobicContact CB-CD2 3.84Å; Q304-Y307 HydrophobicContact CG-CD2 4.31Å; Q304-Y307 PolarHBondContact O-N 3.33Å; Q304-A308 PolarHBondContact O-N 3.22Å | ||
| 305 | P | 89.3 | Confident | 92 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 15% | 0.149 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -36.4 | -172.1 | -27.4 | 37.2 | 0 | 0 | 0 | 114.4 | T294 F297 E298 V302 Y307 A308 T309 | T294-P305 HydrophobicContact CG2-CB 3.94Å; T294-P305 WeakPolarHBondContact O-CB 3.35Å; F297-P305 HydrophobicContact CB-CB 3.79Å; E298-P305 HydrophobicContact CB-CB 4.41Å; E298-P305 HydrophobicContact CB-CG 3.94Å; V302-P305 VanDerWaalsContact O-CD 3.31Å; V302-P305 WeakPolarHBondContact O-CD 3.38Å; V302-P305 WeakPolarHBondContact O-CG 3.48Å; P305-Y307 PolarHBondContact O-N 3.14Å; P305-A308 PolarHBondContact O-N 3.21Å; P305-T309 PolarHBondContact O-N 2.82Å; P305-T309 PolarHBondContact O-OG1 3.31Å |
| 306 | V | 89.5 | Confident | 92.3 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | -178.8 | -176 | 0 | 0 | 0 | 0 | 111.5 | A34 L175 T294 Q304 T309 I310 | A34-V306 HydrophobicContact CB-CG1 4.47Å; L175-V306 HydrophobicContact CD2-CB 4.46Å; L175-V306 HydrophobicContact CD2-CG1 3.67Å; L175-V306 HydrophobicContact CG-CG1 4.42Å; T294-V306 HydrophobicContact CG2-CG2 3.81Å; Q304-V306 VanDerWaalsContact C-N 3.31Å; Q304-V306 PolarHBondContact O-N 3.03Å; V306-T309 WeakPolarHBondContact O-CB 3.3Å; V306-T309 PolarHBondContact O-N 3.49Å; V306-I310 HydrophobicContact CG1-CD1 4.37Å; V306-I310 WeakPolarHBondContact O-CG1 3.39Å; V306-I310 PolarHBondContact O-N 2.83Å |
| 307 | Y | 92.6 | Very high | 92.4 | Very high | 121 Ų | 121 | 44.3 Ų | 44.3 | 48% | 0.475 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.2 | -36.4 | 177.4 | -71.1 | -89.3 | 0 | 0 | 0 | 111.9 | L175 Q304 P305 I310 G311 | L175-Y307 HydrophobicContact CD2-CE1 4.27Å; L175-Y307 HydrophobicContact CD2-CE2 4.27Å; Q304-Y307 HydrophobicContact CB-CD2 3.84Å; Q304-Y307 HydrophobicContact CG-CD2 4.31Å; Q304-Y307 PolarHBondContact O-N 3.33Å; P305-Y307 PolarHBondContact O-N 3.14Å; Y307-I310 PolarHBondContact O-N 2.85Å; Y307-G311 PolarHBondContact O-N 2.89Å |
| 308 | A | 93.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F297 V302 Q304 P305 I310 G311 A312 I368 F372 | F297-A308 HydrophobicContact CD1-CB 4.29Å; F297-A308 HydrophobicContact CD2-CB 3.53Å; F297-A308 HydrophobicContact CE1-CB 4.35Å; F297-A308 HydrophobicContact CE2-CB 3.57Å; F297-A308 HydrophobicContact CG-CB 3.91Å; F297-A308 HydrophobicContact CZ-CB 3.99Å; V302-A308 HydrophobicContact CG1-CB 4.25Å; Q304-A308 PolarHBondContact O-N 3.22Å; P305-A308 PolarHBondContact O-N 3.21Å; A308-I310 PolarHBondContact O-N 3.02Å; A308-G311 PolarHBondContact O-N 3.42Å; A308-A312 PolarHBondContact O-N 3.1Å; A308-I368 HydrophobicContact CB-CD1 4.44Å; A308-I368 HydrophobicContact CB-CG1 4.3Å; A308-F372 VanDerWaalsContact O-CE1 3.28Å; A308-F372 WeakPolarHBondContact O-CE1 3.35Å |
| 309 | T | 93.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 172.5 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | Q171 S293 T294 P305 V306 G311 A312 G313 | Q171-T309 HydrophobicContact CG-CG2 3.88Å; Q171-T309 PolarHBondContact NE2-O 3.14Å; Q171-T309 PolarHBondContact OE1-O 2.93Å; S293-T309 WeakPolarHBondContact CB-OG1 3.31Å; S293-T309 WeakPolarHBondContact OG-CB 3.41Å; S293-T309 WeakPolarHBondContact OG-CG2 3.29Å; S293-T309 PolarHBondContact OG-OG1 2.79Å; T294-T309 PolarHBondContact N-OG1 3.14Å; T294-T309 PolarHBondContact OG1-OG1 3.48Å; T294-T309 VanDerWaalsContact OG1-OG1 3.12Å; P305-T309 PolarHBondContact O-N 2.82Å; P305-T309 PolarHBondContact O-OG1 3.31Å; V306-T309 WeakPolarHBondContact O-CB 3.3Å; V306-T309 PolarHBondContact O-N 3.49Å; T309-G311 VanDerWaalsContact C-N 3.35Å; T309-A312 WeakPolarHBondContact O-CB 3.49Å; T309-A312 PolarHBondContact O-N 3.43Å; T309-G313 PolarHBondContact O-N 2.93Å; T309-G313 VanDerWaalsContact O-N 3.11Å |
| 310 | I | 94.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.1 | -67.8 | 165.7 | 0 | 0 | 0 | 110.7 | L168 Q171 I172 L175 V306 Y307 A308 A312 G313 V314 | L168-I310 HydrophobicContact CD1-CG2 4.13Å; Q171-I310 HydrophobicContact CB-CG1 3.89Å; I172-I310 HydrophobicContact CG1-CG2 4.29Å; L175-I310 HydrophobicContact CD1-CD1 3.88Å; L175-I310 HydrophobicContact CD2-CD1 3.7Å; L175-I310 HydrophobicContact CG-CD1 3.75Å; V306-I310 HydrophobicContact CG1-CD1 4.37Å; V306-I310 WeakPolarHBondContact O-CG1 3.39Å; V306-I310 PolarHBondContact O-N 2.83Å; Y307-I310 PolarHBondContact O-N 2.85Å; A308-I310 PolarHBondContact O-N 3.02Å; I310-A312 VanDerWaalsContact C-N 3.27Å; I310-A312 PolarHBondContact O-N 3.14Å; I310-G313 CarbonylContact O-C 3.51Å; I310-G313 WeakPolarHBondContact O-CA 3.31Å; I310-G313 PolarHBondContact O-N 2.85Å; I310-V314 HydrophobicContact CG2-CG2 4.44Å; I310-V314 WeakPolarHBondContact O-CG2 3.28Å; I310-V314 PolarHBondContact O-N 2.98Å |
| 311 | G | 94.8 | Very high | 92.7 | Very high | 18 Ų | 18 | 44 Ų | 44 | 19% | 0.186 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.2 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y307 A308 T309 G313 V314 V315 F372 | Y307-G311 PolarHBondContact O-N 2.89Å; A308-G311 PolarHBondContact O-N 3.42Å; T309-G311 VanDerWaalsContact C-N 3.35Å; G311-G313 VanDerWaalsContact C-N 3.33Å; G311-G313 PolarHBondContact O-N 3.18Å; G311-V314 PolarHBondContact O-N 3.42Å; G311-V315 WeakPolarHBondContact O-CG2 3.25Å; G311-V315 PolarHBondContact O-N 3.17Å; G311-F372 VanDerWaalsContact C-CZ 3.5Å |
| 312 | A | 93.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | A308 T309 I310 V315 N316 I371 F372 V375 | A308-A312 PolarHBondContact O-N 3.1Å; T309-A312 WeakPolarHBondContact O-CB 3.49Å; T309-A312 PolarHBondContact O-N 3.43Å; I310-A312 VanDerWaalsContact C-N 3.27Å; I310-A312 PolarHBondContact O-N 3.14Å; A312-V315 PolarHBondContact O-N 3.36Å; A312-N316 VanDerWaalsContact O-CB 3.3Å; A312-N316 WeakPolarHBondContact O-CB 3.36Å; A312-N316 PolarHBondContact O-N 3.49Å; A312-I371 HydrophobicContact CB-CG2 4.26Å; A312-F372 HydrophobicContact CB-CD1 4Å; A312-F372 HydrophobicContact CB-CE1 3.92Å; A312-V375 HydrophobicContact CB-CG2 4.48Å |
| 313 | G | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -33.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q171 T309 I310 G311 N316 T317 | Q171-G313 VanDerWaalsContact OE1-CA 3.27Å; T309-G313 PolarHBondContact O-N 2.93Å; T309-G313 VanDerWaalsContact O-N 3.11Å; I310-G313 CarbonylContact O-C 3.51Å; I310-G313 WeakPolarHBondContact O-CA 3.31Å; I310-G313 PolarHBondContact O-N 2.85Å; G311-G313 VanDerWaalsContact C-N 3.33Å; G311-G313 PolarHBondContact O-N 3.18Å; G313-N316 WeakPolarHBondContact O-CB 3.22Å; G313-T317 PolarHBondContact O-N 3.16Å; G313-T317 PolarHBondContact O-OG1 2.88Å |
| 314 | V | 96.5 | Very high | 91.9 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 47% | 0.467 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.3 | -46.5 | 173 | 173 | 0 | 0 | 0 | 0 | 110 | L168 I310 G311 N316 T317 A318 | L168-V314 HydrophobicContact CD1-CG2 3.9Å; L168-V314 HydrophobicContact CD2-CG2 4.39Å; I310-V314 HydrophobicContact CG2-CG2 4.44Å; I310-V314 WeakPolarHBondContact O-CG2 3.28Å; I310-V314 PolarHBondContact O-N 2.98Å; G311-V314 PolarHBondContact O-N 3.42Å; V314-N316 VanDerWaalsContact C-N 3.32Å; V314-N316 PolarHBondContact O-N 2.87Å; V314-T317 PolarHBondContact O-N 3.11Å; V314-A318 WeakPolarHBondContact O-CB 3.42Å; V314-A318 PolarHBondContact O-N 3.47Å |
| 315 | V | 96.4 | Very high | 91.6 | Very high | 26 Ų | 26 | 37.6 Ų | 37.6 | 16% | 0.158 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 175 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | G311 A312 T317 A318 F319 F372 A376 | G311-V315 WeakPolarHBondContact O-CG2 3.25Å; G311-V315 PolarHBondContact O-N 3.17Å; A312-V315 PolarHBondContact O-N 3.36Å; V315-T317 PolarHBondContact O-N 3.39Å; V315-A318 PolarHBondContact O-N 3.29Å; V315-F319 HydrophobicContact CG1-CD2 3.81Å; V315-F319 HydrophobicContact CG1-CE2 4.14Å; V315-F319 WeakPolarHBondContact O-CB 3.47Å; V315-F319 WeakPolarHBondContact O-CD2 3.33Å; V315-F319 PolarHBondContact O-N 3.22Å; V315-F372 WeakPolarHBondContact CG1-O 3.44Å; V315-F372 HydrophobicContact CG2-CB 4.19Å; V315-F372 HydrophobicContact CG2-CD2 3.82Å; V315-F372 HydrophobicContact CG2-CE2 4.39Å; V315-F372 HydrophobicContact CG2-CG 3.98Å; V315-A376 HydrophobicContact CG1-CB 3.81Å |
| 316 | N | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -51.4 | -58.1 | 173.8 | -169.8 | 16 | 0 | 0 | 0 | 110.5 | F290 A312 G313 V314 A318 F319 T320 V375 E379 | F290-N316 WeakPolarHBondContact CE1-ND2 3.43Å; F290-N316 WeakPolarHBondContact CZ-ND2 3.36Å; A312-N316 VanDerWaalsContact O-CB 3.3Å; A312-N316 WeakPolarHBondContact O-CB 3.36Å; A312-N316 PolarHBondContact O-N 3.49Å; G313-N316 WeakPolarHBondContact O-CB 3.22Å; V314-N316 VanDerWaalsContact C-N 3.32Å; V314-N316 PolarHBondContact O-N 2.87Å; N316-A318 PolarHBondContact O-N 3.42Å; N316-F319 PolarHBondContact O-N 3.1Å; N316-T320 PolarHBondContact O-N 3.41Å; N316-T320 PolarHBondContact O-OG1 3.49Å; N316-V375 HydrophobicContact CB-CG1 3.56Å; N316-E379 WeakPolarHBondContact OD1-CG 3.4Å; N316-E379 PolarHBondContact OD1-OE1 2.78Å |
| 317 | T | 94.3 | Very high | 90.8 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | -178.8 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | L161 V164 I165 G313 V314 V315 T320 V321 | L161-T317 HydrophobicContact CD1-CG2 4.43Å; V164-T317 HydrophobicContact CG2-CG2 4.33Å; I165-T317 HydrophobicContact CG1-CG2 4.24Å; G313-T317 PolarHBondContact O-N 3.16Å; G313-T317 PolarHBondContact O-OG1 2.88Å; V314-T317 PolarHBondContact O-N 3.11Å; V315-T317 PolarHBondContact O-N 3.39Å; T317-T320 PolarHBondContact O-N 3.03Å; T317-V321 WeakPolarHBondContact O-CG2 3.43Å; T317-V321 PolarHBondContact O-N 3.4Å |
| 318 | A | 95.4 | Very high | 89.9 | Confident | 48 Ų | 48 | 36.5 Ų | 36.5 | 40% | 0.397 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V314 V315 N316 V321 V322 | V314-A318 WeakPolarHBondContact O-CB 3.42Å; V314-A318 PolarHBondContact O-N 3.47Å; V315-A318 PolarHBondContact O-N 3.29Å; N316-A318 PolarHBondContact O-N 3.42Å; A318-V321 PolarHBondContact O-N 3.48Å; A318-V322 WeakPolarHBondContact O-CG2 3.39Å; A318-V322 PolarHBondContact O-N 3.08Å |
| 319 | F | 94 | Very high | 89.3 | Confident | 69 Ų | 69 | 45.3 Ų | 45.3 | 30% | 0.303 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -74.9 | -26.8 | -179 | -84.8 | -95.4 | 0 | 0 | 0 | 113.2 | V315 N316 V321 V322 S323 A376 E379 M380 | V315-F319 HydrophobicContact CG1-CD2 3.81Å; V315-F319 HydrophobicContact CG1-CE2 4.14Å; V315-F319 WeakPolarHBondContact O-CB 3.47Å; V315-F319 WeakPolarHBondContact O-CD2 3.33Å; V315-F319 PolarHBondContact O-N 3.22Å; N316-F319 PolarHBondContact O-N 3.1Å; F319-V321 VanDerWaalsContact C-N 3.34Å; F319-V322 PolarHBondContact O-N 3.49Å; F319-S323 VanDerWaalsContact O-CB 3.27Å; F319-S323 WeakPolarHBondContact O-CB 3.35Å; F319-S323 PolarHBondContact O-N 3.27Å; F319-A376 HydrophobicContact CB-CB 4.42Å; F319-A376 HydrophobicContact CD1-CB 3.76Å; F319-A376 HydrophobicContact CD2-CB 3.56Å; F319-A376 HydrophobicContact CE1-CB 3.78Å; F319-A376 HydrophobicContact CE2-CB 3.58Å; F319-A376 HydrophobicContact CG-CB 3.63Å; F319-A376 HydrophobicContact CZ-CB 3.69Å; F319-E379 HydrophobicContact CB-CB 3.89Å; F319-M380 HydrophobicContact CD1-CG 3.76Å; F319-M380 HydrophobicContact CD1-SD 4.01Å; F319-M380 HydrophobicContact CE1-CG 4.34Å; F319-M380 HydrophobicContact CE1-SD 3.98Å |
| 320 | T | 90.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 166.5 | -55.4 | 0 | 0 | 0 | 0 | 110 | Q160 V164 N316 T317 V322 S323 L324 E379 | Q160-T320 HydrophobicContact CB-CG2 4.45Å; Q160-T320 HydrophobicContact CG-CG2 3.72Å; V164-T320 WeakPolarHBondContact CG1-OG1 3.46Å; V164-T320 HydrophobicContact CG2-CG2 4.12Å; N316-T320 PolarHBondContact O-N 3.41Å; N316-T320 PolarHBondContact O-OG1 3.49Å; T317-T320 PolarHBondContact O-N 3.03Å; T320-V322 VanDerWaalsContact C-N 3.35Å; T320-V322 PolarHBondContact O-N 3.04Å; T320-S323 WeakPolarHBondContact O-CB 3.47Å; T320-S323 PolarHBondContact O-N 2.96Å; T320-L324 VanDerWaalsContact O-CG 3.28Å; T320-L324 WeakPolarHBondContact O-CG 3.24Å; T320-L324 PolarHBondContact O-N 3.07Å; T320-L324 VanDerWaalsContact O-N 3.14Å; T320-E379 PolarHBondContact OG1-OE2 2.97Å |
| 321 | V | 90.1 | Very high | 88.2 | Confident | 56 Ų | 56 | 46 Ų | 46 | 34% | 0.339 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.8 | -43 | 178.1 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | L161 T317 A318 F319 S323 L324 F325 | L161-V321 HydrophobicContact CD1-CG2 3.89Å; T317-V321 WeakPolarHBondContact O-CG2 3.43Å; T317-V321 PolarHBondContact O-N 3.4Å; A318-V321 PolarHBondContact O-N 3.48Å; F319-V321 VanDerWaalsContact C-N 3.34Å; V321-S323 PolarHBondContact O-N 3.01Å; V321-L324 WeakPolarHBondContact O-CB 3.37Å; V321-L324 PolarHBondContact O-N 3.35Å; V321-F325 HydrophobicContact CG1-CD2 4.48Å; V321-F325 HydrophobicContact CG1-CE2 3.86Å; V321-F325 WeakPolarHBondContact O-CD2 3.15Å |
| 322 | V | 90.3 | Very high | 87.9 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 174.9 | 172.5 | 0 | 0 | 0 | 0 | 111 | A318 F319 T320 L324 F325 V326 | A318-V322 WeakPolarHBondContact O-CG2 3.39Å; A318-V322 PolarHBondContact O-N 3.08Å; F319-V322 PolarHBondContact O-N 3.49Å; T320-V322 VanDerWaalsContact C-N 3.35Å; T320-V322 PolarHBondContact O-N 3.04Å; V322-L324 PolarHBondContact O-N 3.11Å; V322-F325 PolarHBondContact O-N 2.81Å; V322-V326 HydrophobicContact CG1-CG2 3.99Å; V322-V326 WeakPolarHBondContact O-CG2 3.28Å; V322-V326 PolarHBondContact O-N 2.83Å |
| 323 | S | 85.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.3 | -36.9 | 179.9 | -166.2 | 0 | 0 | 0 | 0 | 112.1 | F319 T320 V321 F325 V326 V327 E379 P384 | F319-S323 VanDerWaalsContact O-CB 3.27Å; F319-S323 WeakPolarHBondContact O-CB 3.35Å; F319-S323 PolarHBondContact O-N 3.27Å; T320-S323 WeakPolarHBondContact O-CB 3.47Å; T320-S323 PolarHBondContact O-N 2.96Å; V321-S323 PolarHBondContact O-N 3.01Å; S323-F325 VanDerWaalsContact C-N 3.28Å; S323-F325 PolarHBondContact O-N 3.45Å; S323-V326 PolarHBondContact O-N 3.4Å; S323-V326 VanDerWaalsContact O-N 3.17Å; S323-V327 WeakPolarHBondContact O-CB 3.42Å; S323-V327 PolarHBondContact O-N 2.93Å; S323-E379 WeakPolarHBondContact CB-O 3.5Å; S323-E379 PolarHBondContact OG-O 3.06Å; S323-P384 WeakPolarHBondContact OG-CG 3.23Å |
| 324 | L | 79.2 | Confident | 87.7 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.3 | -40.5 | 176.6 | -54.1 | -170 | 0 | 0 | 0 | 113 | T157 T320 V321 V322 | T157-L324 HydrophobicContact CG2-CD2 3.62Å; T320-L324 VanDerWaalsContact O-CG 3.28Å; T320-L324 WeakPolarHBondContact O-CG 3.24Å; T320-L324 PolarHBondContact O-N 3.07Å; T320-L324 VanDerWaalsContact O-N 3.14Å; V321-L324 WeakPolarHBondContact O-CB 3.37Å; V321-L324 PolarHBondContact O-N 3.35Å; V322-L324 PolarHBondContact O-N 3.11Å |
| 325 | F | 82.1 | Confident | 87.5 | Confident | 142 Ų | 142 | 49.9 Ų | 49.9 | 62% | 0.623 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -83.9 | -24.2 | -178.4 | -62.4 | -69.8 | 0 | 0 | 0 | 112.9 | V321 V322 S323 | V321-F325 HydrophobicContact CG1-CD2 4.48Å; V321-F325 HydrophobicContact CG1-CE2 3.86Å; V321-F325 WeakPolarHBondContact O-CD2 3.15Å; V322-F325 PolarHBondContact O-N 2.81Å; S323-F325 VanDerWaalsContact C-N 3.28Å; S323-F325 PolarHBondContact O-N 3.45Å |
| 326 | V | 85.6 | Confident | 87.4 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -91.1 | -32.7 | -174.2 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | V322 S323 E328 R329 A330 L335 | V322-V326 HydrophobicContact CG1-CG2 3.99Å; V322-V326 WeakPolarHBondContact O-CG2 3.28Å; V322-V326 PolarHBondContact O-N 2.83Å; S323-V326 PolarHBondContact O-N 3.4Å; S323-V326 VanDerWaalsContact O-N 3.17Å; V326-E328 VanDerWaalsContact C-N 3.28Å; V326-E328 PolarHBondContact O-N 2.86Å; V326-R329 WeakPolarHBondContact O-CA 3.49Å; V326-R329 PolarHBondContact O-N 3.47Å; V326-A330 HydrophobicContact CG1-CB 4.05Å; V326-A330 PolarHBondContact O-N 3.35Å; V326-L335 HydrophobicContact CG1-CD1 4.11Å; V326-L335 HydrophobicContact CG1-CD2 3.7Å; V326-L335 HydrophobicContact CG1-CG 4.49Å |
| 327 | V | 76.4 | Confident | 87.6 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.9 | -38.2 | -174.7 | 75.5 | 0 | 0 | 0 | 0 | 113.5 | S323 R329 R332 L335 | S323-V327 WeakPolarHBondContact O-CB 3.42Å; S323-V327 PolarHBondContact O-N 2.93Å; V327-R329 VanDerWaalsContact C-N 3.3Å; V327-R329 PolarHBondContact O-N 2.89Å; V327-R332 PolarHBondContact O-NH1 3.37Å; V327-L335 VanDerWaalsContact CA-CD1 3.47Å; V327-L335 HydrophobicContact CB-CD1 4.16Å; V327-L335 HydrophobicContact CG2-CD1 4.22Å |
| 328 | E | 73.5 | Confident | 87.7 | Confident | 104 Ų | 104 | 52.3 Ų | 52.3 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -79.2 | -13 | 177.9 | -64.8 | -57.2 | 161.9 | 0 | 0 | 113.6 | V326 R332 R455 | V326-E328 VanDerWaalsContact C-N 3.28Å; V326-E328 PolarHBondContact O-N 2.86Å; E328-R332 IonicContact OE1-CZ 3.62Å; E328-R332 IonicContact OE1-NH1 3.01Å; E328-R332 IonicContact OE1-NH2 3.68Å; E328-R332 PolarHBondContact OE1-NH2 2.93Å; E328-R332 IonicContact OE2-CZ 3.68Å; E328-R332 IonicContact OE2-NH1 3.61Å; E328-R332 PolarHBondContact OE2-NH1 3.02Å; E328-R332 IonicContact OE2-NH2 3.79Å; E328-R332 PolarHBondContact OE2-NH2 3.31Å; E328-R455 PolarHBondContact O-NE 3.46Å; E328-R455 PolarHBondContact O-NH2 2.97Å |
| 329 | R | 81.1 | Confident | 87.7 | Confident | 194 Ų | 194 | 50 Ų | 50 | 73% | 0.732 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -101.6 | -32.6 | -177.4 | -66.8 | -175.8 | -177.7 | -174.5 | 1.7 | 114.3 | V326 V327 R455 | V326-R329 WeakPolarHBondContact O-CA 3.49Å; V326-R329 PolarHBondContact O-N 3.47Å; V327-R329 VanDerWaalsContact C-N 3.3Å; V327-R329 PolarHBondContact O-N 2.89Å; R329-R455 VanDerWaalsContact O-CZ 3.23Å; R329-R455 PolarHBondContact O-NH1 3.38Å; R329-R455 PolarHBondContact O-NH2 3.4Å; R329-R455 VanDerWaalsContact O-NH2 3.15Å |
| 330 | A | 83.5 | Confident | 87.9 | Confident | 38 Ų | 38 | 46.8 Ų | 46.8 | 31% | 0.314 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -103.8 | -17.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V326 T334 L335 | V326-A330 HydrophobicContact CG1-CB 4.05Å; V326-A330 PolarHBondContact O-N 3.35Å; A330-T334 PolarHBondContact O-OG1 3.02Å; A330-L335 HydrophobicContact CB-CD1 4.08Å; A330-L335 HydrophobicContact CB-CD2 3.97Å; A330-L335 HydrophobicContact CB-CG 3.86Å |
| 331 | G | 81.7 | Confident | 88.2 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | 90.2 | 153.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L335 | G331-L335 WeakPolarHBondContact O-CG 3.35Å; G331-L335 PolarHBondContact O-N 2.88Å | ||
| 332 | R | 86.9 | Confident | 88.6 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 6% | 0.057 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.9 | -40 | -172.6 | -73.1 | 73.2 | 168.9 | 139.3 | 1.2 | 110.9 | V327 E328 H336 I385 I389 E392 E453 | V327-R332 PolarHBondContact O-NH1 3.37Å; E328-R332 IonicContact OE1-CZ 3.62Å; E328-R332 IonicContact OE1-NH1 3.01Å; E328-R332 IonicContact OE1-NH2 3.68Å; E328-R332 PolarHBondContact OE1-NH2 2.93Å; E328-R332 IonicContact OE2-CZ 3.68Å; E328-R332 IonicContact OE2-NH1 3.61Å; E328-R332 PolarHBondContact OE2-NH1 3.02Å; E328-R332 IonicContact OE2-NH2 3.79Å; E328-R332 PolarHBondContact OE2-NH2 3.31Å; R332-H336 WeakPolarHBondContact O-CB 2.96Å; R332-H336 PolarHBondContact O-N 3.01Å; R332-H336 VanDerWaalsContact O-N 3.11Å; R332-I385 HydrophobicContact CB-CG2 4.05Å; R332-I385 HydrophobicContact CG-CG2 4.46Å; R332-I385 VanDerWaalsContact O-CD1 3.3Å; R332-I385 WeakPolarHBondContact O-CD1 3.31Å; R332-I389 HydrophobicContact CB-CD1 4.06Å; R332-I389 HydrophobicContact CB-CG1 4.19Å; R332-I389 HydrophobicContact CG-CG1 4.37Å; R332-E392 IonicContact CZ-OE1 2.8Å; R332-E392 IonicContact NE-OE1 2.79Å; R332-E392 PolarHBondContact NE-OE1 2.98Å; R332-E392 IonicContact NE-OE2 3.3Å; R332-E392 PolarHBondContact NE-OE2 2.88Å; R332-E392 IonicContact NH2-OE1 3.39Å; R332-E392 PolarHBondContact NH2-OE1 2.85Å; R332-E453 PolarHBondContact N-OE1 2.94Å; R332-E453 PolarHBondContact N-OE2 2.87Å |
| 333 | R | 91.3 | Very high | 89 | Confident | 77 Ų | 77 | 44.5 Ų | 44.5 | 29% | 0.291 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.7 | -45.4 | -178.1 | -178.2 | -179.7 | 171.6 | -165.2 | -10.2 | 111.6 | L335 H336 L337 T447 Y448 V451 E453 | R333-L335 PolarHBondContact O-N 3.17Å; R333-H336 PolarHBondContact O-N 3.18Å; R333-L337 HydrophobicContact CG-CD1 4.02Å; R333-L337 WeakPolarHBondContact O-CG 3.41Å; R333-L337 PolarHBondContact O-N 3.35Å; R333-T447 HydrophobicContact CG-CG2 4.49Å; R333-Y448 PolarHBondContact NH2-O 3.04Å; R333-V451 WeakPolarHBondContact CD-O 3.29Å; R333-E453 WeakPolarHBondContact CB-OE2 3.37Å; R333-E453 PolarHBondContact N-OE2 3.46Å |
| 334 | T | 92.8 | Very high | 89.6 | Confident | 81 Ų | 81 | 44.5 Ų | 44.5 | 50% | 0.497 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -47.1 | -179 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | A330 L337 L338 | A330-T334 PolarHBondContact O-OG1 3.02Å; T334-L337 PolarHBondContact O-N 3.19Å; T334-L338 WeakPolarHBondContact O-CB 3.39Å; T334-L338 PolarHBondContact O-N 3.36Å |
| 335 | L | 92.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.9 | -37.1 | -178.8 | -72 | 174.6 | 0 | 0 | 0 | 112.9 | V326 V327 A330 G331 R333 L338 G339 I385 | V326-L335 HydrophobicContact CG1-CD1 4.11Å; V326-L335 HydrophobicContact CG1-CD2 3.7Å; V326-L335 HydrophobicContact CG1-CG 4.49Å; V327-L335 VanDerWaalsContact CA-CD1 3.47Å; V327-L335 HydrophobicContact CB-CD1 4.16Å; V327-L335 HydrophobicContact CG2-CD1 4.22Å; A330-L335 HydrophobicContact CB-CD1 4.08Å; A330-L335 HydrophobicContact CB-CD2 3.97Å; A330-L335 HydrophobicContact CB-CG 3.86Å; G331-L335 WeakPolarHBondContact O-CG 3.35Å; G331-L335 PolarHBondContact O-N 2.88Å; R333-L335 PolarHBondContact O-N 3.17Å; L335-L338 PolarHBondContact O-N 3.04Å; L335-G339 PolarHBondContact O-N 3.3Å; L335-I385 HydrophobicContact CB-CD1 3.53Å |
| 336 | H | 94.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 175.1 | -161.4 | 72.5 | 0 | 0 | 0 | 111.2 | L277 S280 R332 R333 G339 L340 I385 T447 | L277-H336 WeakPolarHBondContact CD2-NE2 3.43Å; S280-H336 PolarHBondContact OG-CE1 3.28Å; S280-H336 VanDerWaalsContact OG-CE1 3.28Å; S280-H336 PolarHBondContact OG-NE2 2.89Å; R332-H336 WeakPolarHBondContact O-CB 2.96Å; R332-H336 PolarHBondContact O-N 3.01Å; R332-H336 VanDerWaalsContact O-N 3.11Å; R333-H336 PolarHBondContact O-N 3.18Å; H336-G339 PolarHBondContact O-N 2.84Å; H336-L340 VanDerWaalsContact O-CG 3.29Å; H336-L340 WeakPolarHBondContact O-CG 3.31Å; H336-L340 PolarHBondContact O-N 3Å; H336-I385 HydrophobicContact CB-CD1 4.01Å; H336-I385 HydrophobicContact CB-CG2 4.24Å; H336-T447 HydrophobicContact CB-CG2 4.37Å; H336-T447 PolarHBondContact CD2-OG1 3.35Å |
| 337 | L | 96.9 | Very high | 91.7 | Very high | 20 Ų | 20 | 37.5 Ų | 37.5 | 11% | 0.105 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 175.8 | -73.1 | 171 | 0 | 0 | 0 | 112.3 | R333 T334 G339 L340 M341 F444 T447 Y448 | R333-L337 HydrophobicContact CG-CD1 4.02Å; R333-L337 WeakPolarHBondContact O-CG 3.41Å; R333-L337 PolarHBondContact O-N 3.35Å; T334-L337 PolarHBondContact O-N 3.19Å; L337-G339 VanDerWaalsContact C-N 3.34Å; L337-G339 PolarHBondContact O-N 2.95Å; L337-L340 PolarHBondContact O-N 2.94Å; L337-M341 WeakPolarHBondContact O-CB 3.5Å; L337-M341 PolarHBondContact O-N 3.35Å; L337-F444 HydrophobicContact CB-CD2 4.25Å; L337-F444 HydrophobicContact CB-CE2 3.82Å; L337-F444 HydrophobicContact CD2-CD1 4.35Å; L337-F444 HydrophobicContact CD2-CD2 3.63Å; L337-F444 HydrophobicContact CD2-CE1 4.37Å; L337-F444 HydrophobicContact CD2-CE2 3.67Å; L337-F444 HydrophobicContact CD2-CG 3.99Å; L337-F444 HydrophobicContact CD2-CZ 4.05Å; L337-F444 WeakPolarHBondContact CD2-O 3.43Å; L337-F444 HydrophobicContact CG-CE2 4.33Å; L337-F444 WeakPolarHBondContact O-CD2 3.49Å; L337-F444 WeakPolarHBondContact O-CE2 3.43Å; L337-T447 HydrophobicContact CD2-CG2 3.71Å; L337-T447 HydrophobicContact CG-CG2 3.79Å; L337-Y448 HydrophobicContact CD1-CD2 4.1Å |
| 338 | L | 96.5 | Very high | 92.8 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 42% | 0.419 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59 | -46.5 | 176.8 | 179.3 | 66 | 0 | 0 | 0 | 111.1 | T334 L335 M341 G342 F377 M380 | T334-L338 WeakPolarHBondContact O-CB 3.39Å; T334-L338 PolarHBondContact O-N 3.36Å; L335-L338 PolarHBondContact O-N 3.04Å; L338-M341 PolarHBondContact O-N 3.49Å; L338-G342 PolarHBondContact O-N 2.83Å; L338-F377 HydrophobicContact CD1-CE1 4.45Å; L338-F377 HydrophobicContact CG-CE1 4.44Å; L338-M380 HydrophobicContact CD2-CE 3.81Å |
| 339 | G | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -47.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L335 H336 L337 M341 G342 M343 F377 | L335-G339 PolarHBondContact O-N 3.3Å; H336-G339 PolarHBondContact O-N 2.84Å; L337-G339 VanDerWaalsContact C-N 3.34Å; L337-G339 PolarHBondContact O-N 2.95Å; G339-M341 PolarHBondContact O-N 3.43Å; G339-G342 PolarHBondContact O-N 3.46Å; G339-M343 WeakPolarHBondContact O-CB 3.34Å; G339-M343 WeakPolarHBondContact O-CG 3.25Å; G339-M343 PolarHBondContact O-N 3.35Å; G339-F377 WeakPolarHBondContact CA-O 3.35Å |
| 340 | L | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60 | -44 | 177.7 | -70.3 | 175.6 | 0 | 0 | 0 | 112.5 | H336 L337 A344 P382 L440 F443 F444 | H336-L340 VanDerWaalsContact O-CG 3.29Å; H336-L340 WeakPolarHBondContact O-CG 3.31Å; H336-L340 PolarHBondContact O-N 3Å; L337-L340 PolarHBondContact O-N 2.94Å; L340-A344 WeakPolarHBondContact O-CB 3.2Å; L340-A344 PolarHBondContact O-N 3.47Å; L340-P382 HydrophobicContact CD2-CB 4.49Å; L340-P382 HydrophobicContact CD2-CG 3.76Å; L340-P382 HydrophobicContact CG-CG 3.99Å; L340-L440 HydrophobicContact CD2-CD2 3.67Å; L340-F443 HydrophobicContact CD1-CB 3.91Å; L340-F443 HydrophobicContact CD2-CB 4.24Å; L340-F444 HydrophobicContact CB-CB 4.34Å; L340-F444 HydrophobicContact CB-CD2 4.3Å; L340-F444 HydrophobicContact CD1-CB 4.44Å |
| 341 | M | 98.2 | Very high | 95.1 | Very high | 67 Ų | 67 | 28 Ų | 28 | 33% | 0.33 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -68.3 | -43.9 | 178.6 | -172.8 | 58.5 | 61 | 0 | 0 | 111.9 | L337 L338 G339 M343 A344 V345 L441 F444 | L337-M341 WeakPolarHBondContact O-CB 3.5Å; L337-M341 PolarHBondContact O-N 3.35Å; L338-M341 PolarHBondContact O-N 3.49Å; G339-M341 PolarHBondContact O-N 3.43Å; M341-M343 VanDerWaalsContact C-N 3.32Å; M341-M343 PolarHBondContact O-N 2.83Å; M341-A344 WeakPolarHBondContact O-CB 3.47Å; M341-A344 PolarHBondContact O-N 3.35Å; M341-A344 VanDerWaalsContact O-N 3.14Å; M341-V345 WeakPolarHBondContact O-CG2 3.35Å; M341-V345 PolarHBondContact O-N 3.34Å; M341-L441 HydrophobicContact CE-CD2 4.12Å; M341-L441 HydrophobicContact SD-CD2 4.4Å; M341-F444 HydrophobicContact CB-CD2 4.01Å; M341-F444 HydrophobicContact CB-CE2 3.84Å; M341-F444 HydrophobicContact CE-CD1 3.87Å; M341-F444 HydrophobicContact CE-CD2 3.66Å; M341-F444 HydrophobicContact CE-CE1 3.78Å; M341-F444 HydrophobicContact CE-CE2 3.54Å; M341-F444 HydrophobicContact CE-CG 3.82Å; M341-F444 HydrophobicContact CE-CZ 3.61Å |
| 342 | G | 97.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L338 G339 S346 | L338-G342 PolarHBondContact O-N 2.83Å; G339-G342 PolarHBondContact O-N 3.46Å; G342-S346 WeakPolarHBondContact O-CB 3.36Å; G342-S346 PolarHBondContact O-N 2.92Å; G342-S346 PolarHBondContact O-OG 3.47Å |
| 343 | M | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 171.3 | -69.9 | 178.1 | 81.5 | 0 | 0 | 111.9 | S284 G339 M341 S346 A347 F374 F377 F378 P382 L440 | S284-M343 VanDerWaalsContact CB-CE 3.48Å; G339-M343 WeakPolarHBondContact O-CB 3.34Å; G339-M343 WeakPolarHBondContact O-CG 3.25Å; G339-M343 PolarHBondContact O-N 3.35Å; M341-M343 VanDerWaalsContact C-N 3.32Å; M341-M343 PolarHBondContact O-N 2.83Å; M343-S346 PolarHBondContact O-N 2.97Å; M343-A347 WeakPolarHBondContact O-CB 3.5Å; M343-A347 PolarHBondContact O-N 3.28Å; M343-F374 HydrophobicContact CB-CD2 3.98Å; M343-F374 HydrophobicContact CB-CE2 3.92Å; M343-F374 HydrophobicContact CE-CD1 3.86Å; M343-F374 HydrophobicContact CE-CD2 4.29Å; M343-F374 HydrophobicContact CE-CE1 3.26Å; M343-F374 HydrophobicContact CE-CE2 3.75Å; M343-F374 HydrophobicContact CE-CG 4.34Å; M343-F374 HydrophobicContact CE-CZ 3.21Å; M343-F374 HydrophobicContact CG-CD2 4.29Å; M343-F374 HydrophobicContact CG-CE2 4.38Å; M343-F374 WeakPolarHBondContact CG-O 3.4Å; M343-F374 WeakPolarHBondContact O-CD2 3.45Å; M343-F377 HydrophobicContact CG-CB 3.92Å; M343-F378 HydrophobicContact CE-CB 3.81Å; M343-F378 HydrophobicContact CE-CD2 3.83Å; M343-F378 HydrophobicContact CE-CG 4.26Å; M343-F378 HydrophobicContact CG-CB 4.47Å; M343-F378 VanDerWaalsContact SD-CA 3.6Å; M343-F378 HydrophobicContact SD-CB 3.72Å; M343-F378 HydrophobicContact SD-CD2 3.98Å; M343-F378 HydrophobicContact SD-CG 4.37Å; M343-P382 HydrophobicContact SD-CB 4.35Å; M343-P382 HydrophobicContact SD-CG 3.95Å; M343-L440 HydrophobicContact CB-CD1 3.78Å; M343-L440 HydrophobicContact CB-CD2 4.02Å; M343-L440 HydrophobicContact SD-CD2 4.33Å |
| 344 | A | 98.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | L340 M341 S346 A347 V348 T437 L440 L441 | L340-A344 WeakPolarHBondContact O-CB 3.2Å; L340-A344 PolarHBondContact O-N 3.47Å; M341-A344 WeakPolarHBondContact O-CB 3.47Å; M341-A344 PolarHBondContact O-N 3.35Å; M341-A344 VanDerWaalsContact O-N 3.14Å; A344-S346 VanDerWaalsContact C-N 3.32Å; A344-S346 PolarHBondContact O-N 3.23Å; A344-A347 PolarHBondContact O-N 3.23Å; A344-V348 WeakPolarHBondContact O-CG2 3.41Å; A344-V348 PolarHBondContact O-N 2.8Å; A344-T437 HydrophobicContact CB-CG2 4.41Å; A344-L440 HydrophobicContact CB-CB 4.02Å; A344-L440 HydrophobicContact CB-CD1 4.32Å; A344-L441 HydrophobicContact CB-CD2 4.28Å |
| 345 | V | 98.2 | Very high | 96.1 | Very high | 79 Ų | 79 | 26.6 Ų | 26.6 | 48% | 0.479 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.6 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | M341 A347 V348 L349 | M341-V345 WeakPolarHBondContact O-CG2 3.35Å; M341-V345 PolarHBondContact O-N 3.34Å; V345-A347 VanDerWaalsContact C-N 3.34Å; V345-A347 PolarHBondContact O-N 2.94Å; V345-V348 PolarHBondContact O-N 3.43Å; V345-L349 HydrophobicContact CG1-CD1 4.34Å; V345-L349 WeakPolarHBondContact O-CG 3.25Å; V345-L349 PolarHBondContact O-N 3.28Å |
| 346 | S | 97.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -37.4 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 112.5 | G342 M343 A344 L349 M350 A370 A373 F374 | G342-S346 WeakPolarHBondContact O-CB 3.36Å; G342-S346 PolarHBondContact O-N 2.92Å; G342-S346 PolarHBondContact O-OG 3.47Å; M343-S346 PolarHBondContact O-N 2.97Å; A344-S346 VanDerWaalsContact C-N 3.32Å; A344-S346 PolarHBondContact O-N 3.23Å; S346-L349 PolarHBondContact O-N 3.19Å; S346-M350 WeakPolarHBondContact O-CB 3.43Å; S346-M350 PolarHBondContact O-N 3.28Å; S346-A370 WeakPolarHBondContact CB-O 3.31Å; S346-A373 WeakPolarHBondContact OG-CB 3.49Å; S346-F374 PolarHBondContact OG-N 2.78Å |
| 347 | A | 96.4 | Very high | 96 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | M343 A344 V345 M350 T351 F374 F433 T437 | M343-A347 WeakPolarHBondContact O-CB 3.5Å; M343-A347 PolarHBondContact O-N 3.28Å; A344-A347 PolarHBondContact O-N 3.23Å; V345-A347 VanDerWaalsContact C-N 3.34Å; V345-A347 PolarHBondContact O-N 2.94Å; A347-M350 WeakPolarHBondContact O-CB 3.15Å; A347-M350 PolarHBondContact O-N 3.27Å; A347-T351 PolarHBondContact O-N 3.19Å; A347-T351 PolarHBondContact O-OG1 3.29Å; A347-F374 HydrophobicContact CB-CD2 4.44Å; A347-F374 HydrophobicContact CB-CE2 4.24Å; A347-F433 HydrophobicContact CB-CB 4.25Å; A347-T437 WeakPolarHBondContact CB-OG1 3.36Å |
| 348 | V | 97.4 | Very high | 95.6 | Very high | 66 Ų | 66 | 36.9 Ų | 36.9 | 40% | 0.4 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 172.3 | 172.3 | 0 | 0 | 0 | 0 | 111 | A344 V345 M350 T351 I352 T437 | A344-V348 WeakPolarHBondContact O-CG2 3.41Å; A344-V348 PolarHBondContact O-N 2.8Å; V345-V348 PolarHBondContact O-N 3.43Å; V348-M350 PolarHBondContact O-N 2.91Å; V348-T351 PolarHBondContact O-N 2.83Å; V348-I352 HydrophobicContact CG1-CD1 3.91Å; V348-I352 HydrophobicContact CG1-CG1 4.48Å; V348-I352 WeakPolarHBondContact O-CG1 3.32Å; V348-I352 PolarHBondContact O-N 2.9Å; V348-T437 HydrophobicContact CG2-CG2 3.67Å |
| 349 | L | 96.5 | Very high | 95.3 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 34% | 0.335 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.9 | -38.9 | 175.2 | -69.7 | 175.7 | 0 | 0 | 0 | 111.6 | V345 S346 I352 A353 A370 | V345-L349 HydrophobicContact CG1-CD1 4.34Å; V345-L349 WeakPolarHBondContact O-CG 3.25Å; V345-L349 PolarHBondContact O-N 3.28Å; S346-L349 PolarHBondContact O-N 3.19Å; L349-I352 PolarHBondContact O-N 2.97Å; L349-A353 WeakPolarHBondContact O-CB 3.44Å; L349-A353 PolarHBondContact O-N 3.35Å; L349-A370 HydrophobicContact CB-CB 4.03Å |
| 350 | M | 94.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 175.7 | -169.3 | 64.3 | -162.8 | 0 | 0 | 112 | I296 S346 A347 V348 A353 L354 A370 I371 F433 | I296-M350 HydrophobicContact CG2-CE 3.47Å; I296-M350 VanDerWaalsContact CG2-CE 3.47Å; S346-M350 WeakPolarHBondContact O-CB 3.43Å; S346-M350 PolarHBondContact O-N 3.28Å; A347-M350 WeakPolarHBondContact O-CB 3.15Å; A347-M350 PolarHBondContact O-N 3.27Å; V348-M350 PolarHBondContact O-N 2.91Å; M350-A353 PolarHBondContact O-N 3.26Å; M350-L354 HydrophobicContact CE-CD1 3.79Å; M350-L354 HydrophobicContact CE-CD2 3.87Å; M350-L354 HydrophobicContact CE-CG 3.77Å; M350-L354 HydrophobicContact CG-CD1 4.43Å; M350-L354 WeakPolarHBondContact O-CG 3.48Å; M350-L354 PolarHBondContact O-N 3.38Å; M350-A370 HydrophobicContact CB-CB 4.16Å; M350-A370 HydrophobicContact SD-CB 4.25Å; M350-I371 HydrophobicContact CE-CG1 4.44Å; M350-I371 HydrophobicContact CG-CD1 4.46Å; M350-I371 HydrophobicContact SD-CD1 4.1Å; M350-I371 HydrophobicContact SD-CG1 3.87Å; M350-F433 HydrophobicContact CB-CD1 4.35Å; M350-F433 HydrophobicContact CB-CD2 4.2Å; M350-F433 HydrophobicContact CB-CG 4.12Å; M350-F433 HydrophobicContact CE-CE2 4.19Å; M350-F433 HydrophobicContact CE-CZ 4.5Å; M350-F433 HydrophobicContact CG-CD1 4.15Å; M350-F433 HydrophobicContact CG-CD2 3.54Å; M350-F433 HydrophobicContact CG-CE1 4.08Å; M350-F433 HydrophobicContact CG-CE2 3.46Å; M350-F433 VanDerWaalsContact CG-CE2 3.46Å; M350-F433 HydrophobicContact CG-CG 3.9Å; M350-F433 HydrophobicContact CG-CZ 3.74Å |
| 351 | T | 95.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 174.2 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | A347 V348 L354 A355 P430 Y431 F433 V434 | A347-T351 PolarHBondContact O-N 3.19Å; A347-T351 PolarHBondContact O-OG1 3.29Å; V348-T351 PolarHBondContact O-N 2.83Å; T351-L354 PolarHBondContact O-N 2.96Å; T351-A355 VanDerWaalsContact O-CB 3.23Å; T351-A355 WeakPolarHBondContact O-CB 3.28Å; T351-A355 PolarHBondContact O-N 3.26Å; T351-P430 PolarHBondContact OG1-O 2.94Å; T351-Y431 HydrophobicContact CG2-CD1 3.94Å; T351-Y431 HydrophobicContact CG2-CE1 4.41Å; T351-F433 WeakPolarHBondContact OG1-CB 3.36Å; T351-V434 HydrophobicContact CG2-CG2 3.91Å |
| 352 | I | 95.2 | Very high | 94.3 | Very high | 72 Ų | 72 | 55.8 Ų | 55.8 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 177.1 | -66.7 | 166.9 | 0 | 0 | 0 | 110.5 | V348 L349 L354 A355 L356 | V348-I352 HydrophobicContact CG1-CD1 3.91Å; V348-I352 HydrophobicContact CG1-CG1 4.48Å; V348-I352 WeakPolarHBondContact O-CG1 3.32Å; V348-I352 PolarHBondContact O-N 2.9Å; L349-I352 PolarHBondContact O-N 2.97Å; I352-L354 PolarHBondContact O-N 3.37Å; I352-A355 PolarHBondContact O-N 3.28Å; I352-L356 HydrophobicContact CG2-CD1 3.8Å; I352-L356 HydrophobicContact CG2-CG 4.44Å; I352-L356 WeakPolarHBondContact O-CB 3.4Å; I352-L356 WeakPolarHBondContact O-CG 3.29Å; I352-L356 PolarHBondContact O-N 2.79Å |
| 353 | A | 94.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L349 M350 L357 M363 L366 | L349-A353 WeakPolarHBondContact O-CB 3.44Å; L349-A353 PolarHBondContact O-N 3.35Å; M350-A353 PolarHBondContact O-N 3.26Å; A353-L357 WeakPolarHBondContact O-CB 3.39Å; A353-L357 PolarHBondContact O-N 2.8Å; A353-L357 VanDerWaalsContact O-N 3.13Å; A353-M363 WeakPolarHBondContact O-CB 3.41Å; A353-L366 HydrophobicContact CB-CB 4.12Å; A353-L366 HydrophobicContact CB-CD2 4.06Å; A353-L366 HydrophobicContact CB-CG 4.06Å |
| 354 | L | 92.4 | Very high | 93.8 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 179.1 | -68.4 | 178.1 | 0 | 0 | 0 | 112.9 | A300 M350 T351 I352 L357 P430 F433 | A300-L354 HydrophobicContact CB-CD2 3.85Å; M350-L354 HydrophobicContact CE-CD1 3.79Å; M350-L354 HydrophobicContact CE-CD2 3.87Å; M350-L354 HydrophobicContact CE-CG 3.77Å; M350-L354 HydrophobicContact CG-CD1 4.43Å; M350-L354 WeakPolarHBondContact O-CG 3.48Å; M350-L354 PolarHBondContact O-N 3.38Å; T351-L354 PolarHBondContact O-N 2.96Å; I352-L354 PolarHBondContact O-N 3.37Å; L354-L357 WeakPolarHBondContact O-CB 3.39Å; L354-P430 HydrophobicContact CB-CB 3.78Å; L354-P430 HydrophobicContact CB-CG 4.44Å; L354-F433 HydrophobicContact CD1-CD2 4.2Å; L354-F433 HydrophobicContact CD1-CE2 4.08Å |
| 355 | A | 93.1 | Very high | 93.6 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.5 | -29.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T351 I352 P430 | T351-A355 VanDerWaalsContact O-CB 3.23Å; T351-A355 WeakPolarHBondContact O-CB 3.28Å; T351-A355 PolarHBondContact O-N 3.26Å; I352-A355 PolarHBondContact O-N 3.28Å; A355-P430 HydrophobicContact CB-CB 4.35Å |
| 356 | L | 93.2 | Very high | 93.5 | Very high | 60 Ų | 60 | 61.6 Ų | 61.6 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -96.7 | -1.8 | 179.4 | -62.7 | -178.8 | 0 | 0 | 0 | 113.6 | I352 E358 K359 L360 M363 | I352-L356 HydrophobicContact CG2-CD1 3.8Å; I352-L356 HydrophobicContact CG2-CG 4.44Å; I352-L356 WeakPolarHBondContact O-CB 3.4Å; I352-L356 WeakPolarHBondContact O-CG 3.29Å; I352-L356 PolarHBondContact O-N 2.79Å; L356-E358 VanDerWaalsContact C-N 3.29Å; L356-E358 PolarHBondContact O-N 3.25Å; L356-K359 PolarHBondContact O-N 3.34Å; L356-L360 PolarHBondContact O-N 2.93Å; L356-M363 HydrophobicContact CB-CE 4.12Å; L356-M363 HydrophobicContact CB-CG 4.06Å; L356-M363 HydrophobicContact CB-SD 4.39Å; L356-M363 HydrophobicContact CD1-CE 3.9Å |
| 357 | L | 91.9 | Very high | 93.3 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -38.4 | -176 | -173.2 | 67.3 | 0 | 0 | 0 | 113.3 | K299 A300 R301 A353 L354 K359 L360 M363 | K299-L357 WeakPolarHBondContact O-CD2 3.27Å; A300-L357 WeakPolarHBondContact O-CD1 3.24Å; R301-L357 HydrophobicContact CB-CD2 4.42Å; R301-L357 HydrophobicContact CG-CD2 4.07Å; A353-L357 WeakPolarHBondContact O-CB 3.39Å; A353-L357 PolarHBondContact O-N 2.8Å; A353-L357 VanDerWaalsContact O-N 3.13Å; L354-L357 WeakPolarHBondContact O-CB 3.39Å; L357-K359 PolarHBondContact O-N 2.9Å; L357-L360 CarbonylContact O-C 3.57Å; L357-M363 HydrophobicContact CD1-CB 4.12Å |
| 358 | E | 88.1 | Confident | 93.2 | Very high | 170 Ų | 170 | 62.9 Ų | 62.9 | 79% | 0.794 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24 | 178.6 | -66.5 | -170.9 | 165 | 0 | 0 | 113.1 | L356 | L356-E358 VanDerWaalsContact C-N 3.29Å; L356-E358 PolarHBondContact O-N 3.25Å |
| 359 | K | 91.3 | Very high | 93.2 | Very high | 173 Ų | 173 | 64.1 Ų | 64.1 | 75% | 0.752 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -31.6 | 179.9 | -62.4 | -177.1 | -179.3 | 179.8 | 0 | 112.2 | L356 L357 | L356-K359 PolarHBondContact O-N 3.34Å; L357-K359 PolarHBondContact O-N 2.9Å |
| 360 | L | 92.3 | Very high | 93.2 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 35% | 0.346 | 30% | 0.295 | S | S | . | . | trans | -138.3 | 101 | -170.2 | -64.3 | 174 | 0 | 0 | 0 | 109.7 | L356 L357 W362 M363 | L356-L360 PolarHBondContact O-N 2.93Å; L357-L360 CarbonylContact O-C 3.57Å; L360-W362 HydrophobicContact CD1-CZ2 4.28Å; L360-W362 PolarHBondContact O-N 3.07Å; L360-M363 HydrophobicContact CB-CE 4.29Å; L360-M363 HydrophobicContact CB-CG 3.75Å; L360-M363 HydrophobicContact CD1-CE 3.48Å; L360-M363 VanDerWaalsContact CD1-CE 3.48Å; L360-M363 VanDerWaalsContact O-CB 3.25Å; L360-M363 WeakPolarHBondContact O-CB 3.31Å; L360-M363 VanDerWaalsContact O-CG 3.28Å; L360-M363 WeakPolarHBondContact O-CG 3.28Å; L360-M363 PolarHBondContact O-N 3.41Å | ||
| 361 | E | 87.4 | Confident | 93.2 | Very high | 156 Ų | 156 | 61.1 Ų | 61.1 | 73% | 0.729 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28 | -175.8 | -62.6 | -172.5 | 158.1 | 0 | 0 | 113.6 | M363 S364 | E361-M363 PolarHBondContact O-N 3.22Å; E361-S364 WeakPolarHBondContact O-CB 3.3Å; E361-S364 PolarHBondContact O-N 2.88Å; E361-S364 PolarHBondContact O-OG 3.08Å |
| 362 | W | 91.8 | Very high | 93.3 | Very high | 149 Ų | 149 | 63.1 Ų | 63.1 | 56% | 0.564 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.1 | 177.5 | 69.3 | -95.2 | 0 | 0 | 0 | 113.5 | L360 S364 Y365 | L360-W362 HydrophobicContact CD1-CZ2 4.28Å; L360-W362 PolarHBondContact O-N 3.07Å; W362-S364 PolarHBondContact O-N 3.06Å; W362-S364 VanDerWaalsContact O-N 3.17Å; W362-Y365 PolarHBondContact O-N 2.93Å |
| 363 | M | 93.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 5% | 0.054 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -19.5 | 173.4 | -69.1 | -68 | 174.5 | 0 | 0 | 112.9 | A353 L356 L357 L360 E361 Y365 L366 S367 | A353-M363 WeakPolarHBondContact O-CB 3.41Å; L356-M363 HydrophobicContact CB-CE 4.12Å; L356-M363 HydrophobicContact CB-CG 4.06Å; L356-M363 HydrophobicContact CB-SD 4.39Å; L356-M363 HydrophobicContact CD1-CE 3.9Å; L357-M363 HydrophobicContact CD1-CB 4.12Å; L360-M363 HydrophobicContact CB-CE 4.29Å; L360-M363 HydrophobicContact CB-CG 3.75Å; L360-M363 HydrophobicContact CD1-CE 3.48Å; L360-M363 VanDerWaalsContact CD1-CE 3.48Å; L360-M363 VanDerWaalsContact O-CB 3.25Å; L360-M363 WeakPolarHBondContact O-CB 3.31Å; L360-M363 VanDerWaalsContact O-CG 3.28Å; L360-M363 WeakPolarHBondContact O-CG 3.28Å; L360-M363 PolarHBondContact O-N 3.41Å; E361-M363 PolarHBondContact O-N 3.22Å; M363-Y365 VanDerWaalsContact C-N 3.28Å; M363-Y365 PolarHBondContact O-N 3.22Å; M363-L366 WeakPolarHBondContact O-CB 3.44Å; M363-L366 PolarHBondContact O-N 3.16Å; M363-L366 VanDerWaalsContact O-N 3.14Å; M363-L366 HydrophobicContact SD-CB 4.37Å; M363-L366 HydrophobicContact SD-CD2 3.68Å; M363-S367 PolarHBondContact O-N 2.97Å |
| 364 | S | 92.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53.8 | -43.4 | 168.3 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | A300 E361 W362 S367 I368 | A300-S364 VanDerWaalsContact O-CB 3.24Å; A300-S364 WeakPolarHBondContact O-CB 3.4Å; E361-S364 WeakPolarHBondContact O-CB 3.3Å; E361-S364 PolarHBondContact O-N 2.88Å; E361-S364 PolarHBondContact O-OG 3.08Å; W362-S364 PolarHBondContact O-N 3.06Å; W362-S364 VanDerWaalsContact O-N 3.17Å; S364-S367 WeakPolarHBondContact O-CB 3.23Å; S364-S367 PolarHBondContact O-N 3.43Å; S364-S367 PolarHBondContact O-OG 3.43Å; S364-I368 PolarHBondContact O-N 3.44Å |
| 365 | Y | 93.4 | Very high | 93.8 | Very high | 152 Ų | 152 | 59.8 Ų | 59.8 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.8 | -36.1 | 175.9 | -64.4 | -79.3 | 0 | 0 | 0 | 112.8 | W362 M363 S367 I368 V369 | W362-Y365 PolarHBondContact O-N 2.93Å; M363-Y365 VanDerWaalsContact C-N 3.28Å; M363-Y365 PolarHBondContact O-N 3.22Å; Y365-S367 PolarHBondContact O-N 2.82Å; Y365-I368 HydrophobicContact CD1-CD1 4.49Å; Y365-I368 WeakPolarHBondContact O-CB 3.5Å; Y365-I368 PolarHBondContact O-N 3Å; Y365-V369 PolarHBondContact O-N 3.14Å; Y365-V369 VanDerWaalsContact O-N 3.08Å |
| 366 | L | 95.1 | Very high | 93.9 | Very high | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.5 | -36.2 | 174.9 | -175.9 | 62 | 0 | 0 | 0 | 111 | A353 M363 I368 V369 A370 | A353-L366 HydrophobicContact CB-CB 4.12Å; A353-L366 HydrophobicContact CB-CD2 4.06Å; A353-L366 HydrophobicContact CB-CG 4.06Å; M363-L366 WeakPolarHBondContact O-CB 3.44Å; M363-L366 PolarHBondContact O-N 3.16Å; M363-L366 VanDerWaalsContact O-N 3.14Å; M363-L366 HydrophobicContact SD-CB 4.37Å; M363-L366 HydrophobicContact SD-CD2 3.68Å; L366-I368 VanDerWaalsContact C-N 3.32Å; L366-I368 PolarHBondContact O-N 2.97Å; L366-V369 PolarHBondContact O-N 3.34Å; L366-A370 VanDerWaalsContact O-CB 3.28Å; L366-A370 WeakPolarHBondContact O-CB 3.36Å; L366-A370 PolarHBondContact O-N 3.43Å |
| 367 | S | 93.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 175.7 | 84.1 | 0 | 0 | 0 | 0 | 112.4 | A300 M363 S364 Y365 A370 I371 | A300-S367 WeakPolarHBondContact CB-OG 3.32Å; M363-S367 PolarHBondContact O-N 2.97Å; S364-S367 WeakPolarHBondContact O-CB 3.23Å; S364-S367 PolarHBondContact O-N 3.43Å; S364-S367 PolarHBondContact O-OG 3.43Å; Y365-S367 PolarHBondContact O-N 2.82Å; S367-A370 PolarHBondContact O-N 3.36Å; S367-I371 WeakPolarHBondContact O-CG1 3.37Å; S367-I371 PolarHBondContact O-N 3.38Å |
| 368 | I | 95.1 | Very high | 94.3 | Very high | 33 Ų | 33 | 58 Ų | 58 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -50.8 | 175.1 | -59.7 | 171.2 | 0 | 0 | 0 | 110 | F297 V302 A308 S364 Y365 L366 A370 I371 F372 | F297-I368 HydrophobicContact CD1-CG1 4.25Å; F297-I368 HydrophobicContact CE1-CB 4.4Å; F297-I368 HydrophobicContact CE1-CG1 4.05Å; V302-I368 HydrophobicContact CG1-CD1 3.9Å; V302-I368 HydrophobicContact CG1-CG1 4.45Å; V302-I368 HydrophobicContact CG2-CD1 4Å; V302-I368 HydrophobicContact CG2-CG1 3.89Å; A308-I368 HydrophobicContact CB-CD1 4.44Å; A308-I368 HydrophobicContact CB-CG1 4.3Å; S364-I368 PolarHBondContact O-N 3.44Å; Y365-I368 HydrophobicContact CD1-CD1 4.49Å; Y365-I368 WeakPolarHBondContact O-CB 3.5Å; Y365-I368 PolarHBondContact O-N 3Å; L366-I368 VanDerWaalsContact C-N 3.32Å; L366-I368 PolarHBondContact O-N 2.97Å; I368-A370 VanDerWaalsContact C-N 3.31Å; I368-A370 PolarHBondContact O-N 2.96Å; I368-I371 PolarHBondContact O-N 3.19Å; I368-F372 HydrophobicContact CG2-CD1 4.19Å; I368-F372 HydrophobicContact CG2-CD2 4.35Å; I368-F372 HydrophobicContact CG2-CE1 3.74Å; I368-F372 HydrophobicContact CG2-CE2 3.94Å; I368-F372 HydrophobicContact CG2-CG 4.47Å; I368-F372 HydrophobicContact CG2-CZ 3.6Å; I368-F372 WeakPolarHBondContact O-CB 3.48Å; I368-F372 VanDerWaalsContact O-CD1 3.3Å; I368-F372 WeakPolarHBondContact O-CD1 3.47Å; I368-F372 WeakPolarHBondContact O-CG 3.46Å; I368-F372 PolarHBondContact O-N 3.31Å |
| 369 | V | 96.6 | Very high | 94.5 | Very high | 91 Ų | 91 | 50 Ų | 50 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61 | -41.9 | 179.3 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | Y365 L366 F372 A373 | Y365-V369 PolarHBondContact O-N 3.14Å; Y365-V369 VanDerWaalsContact O-N 3.08Å; L366-V369 PolarHBondContact O-N 3.34Å; V369-F372 PolarHBondContact O-N 2.96Å; V369-A373 WeakPolarHBondContact O-CB 3.21Å; V369-A373 PolarHBondContact O-N 3.45Å |
| 370 | A | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S346 L349 M350 L366 S367 I368 A373 F374 | S346-A370 WeakPolarHBondContact CB-O 3.31Å; L349-A370 HydrophobicContact CB-CB 4.03Å; M350-A370 HydrophobicContact CB-CB 4.16Å; M350-A370 HydrophobicContact SD-CB 4.25Å; L366-A370 VanDerWaalsContact O-CB 3.28Å; L366-A370 WeakPolarHBondContact O-CB 3.36Å; L366-A370 PolarHBondContact O-N 3.43Å; S367-A370 PolarHBondContact O-N 3.36Å; I368-A370 VanDerWaalsContact C-N 3.31Å; I368-A370 PolarHBondContact O-N 2.96Å; A370-A373 PolarHBondContact O-N 2.9Å; A370-F374 VanDerWaalsContact O-CB 3.24Å; A370-F374 WeakPolarHBondContact O-CB 3.25Å; A370-F374 PolarHBondContact O-N 2.88Å |
| 371 | I | 95.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | 176.8 | -67.9 | -67.1 | 0 | 0 | 0 | 111.6 | V289 F297 A312 M350 S367 I368 F374 V375 F433 | V289-I371 HydrophobicContact CG1-CG2 3.7Å; V289-I371 HydrophobicContact CG2-CD1 4Å; F297-I371 HydrophobicContact CE1-CB 3.97Å; F297-I371 HydrophobicContact CE1-CG1 3.85Å; F297-I371 HydrophobicContact CE1-CG2 4.35Å; F297-I371 HydrophobicContact CE2-CG2 4.36Å; F297-I371 HydrophobicContact CZ-CB 3.71Å; F297-I371 HydrophobicContact CZ-CG1 3.98Å; F297-I371 HydrophobicContact CZ-CG2 3.62Å; A312-I371 HydrophobicContact CB-CG2 4.26Å; M350-I371 HydrophobicContact CE-CG1 4.44Å; M350-I371 HydrophobicContact CG-CD1 4.46Å; M350-I371 HydrophobicContact SD-CD1 4.1Å; M350-I371 HydrophobicContact SD-CG1 3.87Å; S367-I371 WeakPolarHBondContact O-CG1 3.37Å; S367-I371 PolarHBondContact O-N 3.38Å; I368-I371 PolarHBondContact O-N 3.19Å; I371-F374 WeakPolarHBondContact O-CB 3.2Å; I371-F374 PolarHBondContact O-N 3.41Å; I371-V375 HydrophobicContact CG2-CG2 4.43Å; I371-V375 WeakPolarHBondContact O-CG2 3.4Å; I371-V375 PolarHBondContact O-N 2.99Å; I371-F433 HydrophobicContact CD1-CE1 4.28Å; I371-F433 HydrophobicContact CD1-CZ 4.23Å |
| 372 | F | 97.2 | Very high | 94.6 | Very high | 55 Ų | 55 | 32.7 Ų | 32.7 | 24% | 0.241 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.6 | -46.2 | 177.6 | -75.5 | 15.9 | 0 | 0 | 0 | 111 | A308 G311 A312 V315 I368 V369 F374 V375 A376 | A308-F372 VanDerWaalsContact O-CE1 3.28Å; A308-F372 WeakPolarHBondContact O-CE1 3.35Å; G311-F372 VanDerWaalsContact C-CZ 3.5Å; A312-F372 HydrophobicContact CB-CD1 4Å; A312-F372 HydrophobicContact CB-CE1 3.92Å; V315-F372 WeakPolarHBondContact CG1-O 3.44Å; V315-F372 HydrophobicContact CG2-CB 4.19Å; V315-F372 HydrophobicContact CG2-CD2 3.82Å; V315-F372 HydrophobicContact CG2-CE2 4.39Å; V315-F372 HydrophobicContact CG2-CG 3.98Å; I368-F372 HydrophobicContact CG2-CD1 4.19Å; I368-F372 HydrophobicContact CG2-CD2 4.35Å; I368-F372 HydrophobicContact CG2-CE1 3.74Å; I368-F372 HydrophobicContact CG2-CE2 3.94Å; I368-F372 HydrophobicContact CG2-CG 4.47Å; I368-F372 HydrophobicContact CG2-CZ 3.6Å; I368-F372 WeakPolarHBondContact O-CB 3.48Å; I368-F372 VanDerWaalsContact O-CD1 3.3Å; I368-F372 WeakPolarHBondContact O-CD1 3.47Å; I368-F372 WeakPolarHBondContact O-CG 3.46Å; I368-F372 PolarHBondContact O-N 3.31Å; V369-F372 PolarHBondContact O-N 2.96Å; F372-F374 VanDerWaalsContact C-N 3.33Å; F372-F374 PolarHBondContact O-N 3.41Å; F372-V375 PolarHBondContact O-N 2.72Å; F372-A376 WeakPolarHBondContact O-CB 3.18Å; F372-A376 PolarHBondContact O-N 3.21Å |
| 373 | A | 97.6 | Very high | 94.4 | Very high | 30 Ų | 30 | 25.7 Ų | 25.7 | 25% | 0.248 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S346 V369 A370 V375 A376 F377 | S346-A373 WeakPolarHBondContact OG-CB 3.49Å; V369-A373 WeakPolarHBondContact O-CB 3.21Å; V369-A373 PolarHBondContact O-N 3.45Å; A370-A373 PolarHBondContact O-N 2.9Å; A373-V375 PolarHBondContact O-N 2.92Å; A373-A376 PolarHBondContact O-N 3.24Å; A373-F377 HydrophobicContact CB-CD2 4.47Å; A373-F377 HydrophobicContact CB-CE2 4.48Å; A373-F377 WeakPolarHBondContact O-CD2 3.43Å; A373-F377 PolarHBondContact O-N 3.31Å |
| 374 | F | 97.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.3 | -47.6 | 177.4 | -174 | -86.4 | 0 | 0 | 0 | 112.1 | S284 I286 V289 M343 S346 A347 A370 I371 F372 F378 L440 | S284-F374 WeakPolarHBondContact O-CZ 3.31Å; I286-F374 HydrophobicContact CB-CE1 4.42Å; I286-F374 HydrophobicContact CD1-CD1 4.06Å; I286-F374 HydrophobicContact CD1-CE1 3.9Å; V289-F374 HydrophobicContact CG2-CD1 4.12Å; V289-F374 HydrophobicContact CG2-CE1 4.04Å; M343-F374 HydrophobicContact CB-CD2 3.98Å; M343-F374 HydrophobicContact CB-CE2 3.92Å; M343-F374 HydrophobicContact CE-CD1 3.86Å; M343-F374 HydrophobicContact CE-CD2 4.29Å; M343-F374 HydrophobicContact CE-CE1 3.26Å; M343-F374 HydrophobicContact CE-CE2 3.75Å; M343-F374 HydrophobicContact CE-CG 4.34Å; M343-F374 HydrophobicContact CE-CZ 3.21Å; M343-F374 HydrophobicContact CG-CD2 4.29Å; M343-F374 HydrophobicContact CG-CE2 4.38Å; M343-F374 WeakPolarHBondContact CG-O 3.4Å; M343-F374 WeakPolarHBondContact O-CD2 3.45Å; S346-F374 PolarHBondContact OG-N 2.78Å; A347-F374 HydrophobicContact CB-CD2 4.44Å; A347-F374 HydrophobicContact CB-CE2 4.24Å; A370-F374 VanDerWaalsContact O-CB 3.24Å; A370-F374 WeakPolarHBondContact O-CB 3.25Å; A370-F374 PolarHBondContact O-N 2.88Å; I371-F374 WeakPolarHBondContact O-CB 3.2Å; I371-F374 PolarHBondContact O-N 3.41Å; F372-F374 VanDerWaalsContact C-N 3.33Å; F372-F374 PolarHBondContact O-N 3.41Å; F374-F378 WeakPolarHBondContact O-CB 3.43Å; F374-F378 PolarHBondContact O-N 2.71Å; F374-L440 HydrophobicContact CE2-CD1 4.19Å |
| 375 | V | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.8 | -40 | 177.9 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | I286 V289 A312 N316 I371 F372 A373 F378 E379 | I286-V375 HydrophobicContact CD1-CG2 4.02Å; V289-V375 HydrophobicContact CG1-CG2 4.06Å; A312-V375 HydrophobicContact CB-CG2 4.48Å; N316-V375 HydrophobicContact CB-CG1 3.56Å; I371-V375 HydrophobicContact CG2-CG2 4.43Å; I371-V375 WeakPolarHBondContact O-CG2 3.4Å; I371-V375 PolarHBondContact O-N 2.99Å; F372-V375 PolarHBondContact O-N 2.72Å; A373-V375 PolarHBondContact O-N 2.92Å; V375-F378 WeakPolarHBondContact O-CB 3.44Å; V375-F378 PolarHBondContact O-N 3.22Å; V375-E379 PolarHBondContact O-N 3.24Å |
| 376 | A | 96.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 18 Ų | 18 | 6% | 0.058 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V315 F319 F372 A373 F378 E379 M380 | V315-A376 HydrophobicContact CG1-CB 3.81Å; F319-A376 HydrophobicContact CB-CB 4.42Å; F319-A376 HydrophobicContact CD1-CB 3.76Å; F319-A376 HydrophobicContact CD2-CB 3.56Å; F319-A376 HydrophobicContact CE1-CB 3.78Å; F319-A376 HydrophobicContact CE2-CB 3.58Å; F319-A376 HydrophobicContact CG-CB 3.63Å; F319-A376 HydrophobicContact CZ-CB 3.69Å; F372-A376 WeakPolarHBondContact O-CB 3.18Å; F372-A376 PolarHBondContact O-N 3.21Å; A373-A376 PolarHBondContact O-N 3.24Å; A376-F378 VanDerWaalsContact C-N 3.3Å; A376-F378 PolarHBondContact O-N 3.28Å; A376-E379 PolarHBondContact O-N 3.49Å; A376-M380 WeakPolarHBondContact O-CG 3.25Å; A376-M380 PolarHBondContact O-N 3.45Å; A376-M380 VanDerWaalsContact O-N 3.12Å |
| 377 | F | 96.9 | Very high | 92.8 | Very high | 61 Ų | 61 | 20.2 Ų | 20.2 | 27% | 0.268 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -66.9 | -31 | 179.2 | -78.2 | -64.2 | 0 | 0 | 0 | 113.1 | L338 G339 M343 A373 M380 | L338-F377 HydrophobicContact CD1-CE1 4.45Å; L338-F377 HydrophobicContact CG-CE1 4.44Å; G339-F377 WeakPolarHBondContact CA-O 3.35Å; M343-F377 HydrophobicContact CG-CB 3.92Å; A373-F377 HydrophobicContact CB-CD2 4.47Å; A373-F377 HydrophobicContact CB-CE2 4.48Å; A373-F377 WeakPolarHBondContact O-CD2 3.43Å; A373-F377 PolarHBondContact O-N 3.31Å; F377-M380 HydrophobicContact CD1-SD 4.27Å; F377-M380 PolarHBondContact O-N 3.38Å |
| 378 | F | 95.5 | Very high | 92 | Very high | 11 Ų | 11 | 23 Ų | 23 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.6 | -52 | 171.6 | 174.4 | -100 | 0 | 0 | 0 | 111.6 | Q281 I286 M343 F374 V375 A376 M380 G381 P382 G383 | Q281-F378 HydrophobicContact CG-CE2 3.83Å; Q281-F378 HydrophobicContact CG-CZ 3.92Å; I286-F378 HydrophobicContact CB-CD2 3.86Å; I286-F378 HydrophobicContact CB-CE2 3.86Å; I286-F378 HydrophobicContact CB-CG 4.24Å; I286-F378 HydrophobicContact CB-CZ 4.24Å; I286-F378 HydrophobicContact CD1-CB 3.88Å; I286-F378 HydrophobicContact CD1-CD1 3.9Å; I286-F378 HydrophobicContact CD1-CD2 4.21Å; I286-F378 HydrophobicContact CD1-CG 3.72Å; I286-F378 HydrophobicContact CG1-CB 4.43Å; I286-F378 HydrophobicContact CG1-CD1 3.72Å; I286-F378 HydrophobicContact CG1-CD2 3.85Å; I286-F378 HydrophobicContact CG1-CE1 3.86Å; I286-F378 HydrophobicContact CG1-CE2 3.98Å; I286-F378 HydrophobicContact CG1-CG 3.72Å; I286-F378 HydrophobicContact CG1-CZ 3.98Å; I286-F378 HydrophobicContact CG2-CD2 4.11Å; I286-F378 HydrophobicContact CG2-CE1 4.48Å; I286-F378 HydrophobicContact CG2-CE2 3.57Å; I286-F378 HydrophobicContact CG2-CZ 3.78Å; M343-F378 HydrophobicContact CE-CB 3.81Å; M343-F378 HydrophobicContact CE-CD2 3.83Å; M343-F378 HydrophobicContact CE-CG 4.26Å; M343-F378 HydrophobicContact CG-CB 4.47Å; M343-F378 VanDerWaalsContact SD-CA 3.6Å; M343-F378 HydrophobicContact SD-CB 3.72Å; M343-F378 HydrophobicContact SD-CD2 3.98Å; M343-F378 HydrophobicContact SD-CG 4.37Å; F374-F378 WeakPolarHBondContact O-CB 3.43Å; F374-F378 PolarHBondContact O-N 2.71Å; V375-F378 WeakPolarHBondContact O-CB 3.44Å; V375-F378 PolarHBondContact O-N 3.22Å; A376-F378 VanDerWaalsContact C-N 3.3Å; A376-F378 PolarHBondContact O-N 3.28Å; F378-M380 VanDerWaalsContact C-N 3.3Å; F378-M380 PolarHBondContact O-N 3.18Å; F378-G381 CarbonylContact O-C 3.59Å; F378-G381 PolarHBondContact O-N 3.13Å; F378-G381 VanDerWaalsContact O-N 3.16Å; F378-P382 HydrophobicContact CD2-CB 3.9Å; F378-P382 HydrophobicContact CE2-CB 4.13Å; F378-P382 WeakPolarHBondContact O-CD 3.23Å; F378-P382 VanDerWaalsContact O-N 3.17Å; F378-G383 VanDerWaalsContact CZ-CA 3.46Å; F378-G383 PolarHBondContact O-N 3.49Å |
| 379 | E | 93 | Very high | 91.4 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.2 | -27 | -177.8 | -72.9 | -61 | 135.5 | 0 | 0 | 113.3 | Q160 N316 F319 T320 S323 V375 A376 G381 P384 | Q160-E379 PolarHBondContact NE2-OE1 3.01Å; Q160-E379 PolarHBondContact NE2-OE2 3.28Å; N316-E379 WeakPolarHBondContact OD1-CG 3.4Å; N316-E379 PolarHBondContact OD1-OE1 2.78Å; F319-E379 HydrophobicContact CB-CB 3.89Å; T320-E379 PolarHBondContact OG1-OE2 2.97Å; S323-E379 WeakPolarHBondContact CB-O 3.5Å; S323-E379 PolarHBondContact OG-O 3.06Å; V375-E379 PolarHBondContact O-N 3.24Å; A376-E379 PolarHBondContact O-N 3.49Å; E379-G381 PolarHBondContact O-N 2.94Å; E379-P384 WeakPolarHBondContact O-CD 3.41Å; E379-P384 WeakPolarHBondContact O-CG 3.45Å |
| 380 | M | 91.1 | Very high | 90.8 | Very high | 32 Ų | 32 | 17.2 Ų | 17.2 | 16% | 0.158 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.2 | -25.3 | 173.6 | -72.2 | -172.1 | 73.3 | 0 | 0 | 113.4 | F319 L338 A376 F377 F378 | F319-M380 HydrophobicContact CD1-CG 3.76Å; F319-M380 HydrophobicContact CD1-SD 4.01Å; F319-M380 HydrophobicContact CE1-CG 4.34Å; F319-M380 HydrophobicContact CE1-SD 3.98Å; L338-M380 HydrophobicContact CD2-CE 3.81Å; A376-M380 WeakPolarHBondContact O-CG 3.25Å; A376-M380 PolarHBondContact O-N 3.45Å; A376-M380 VanDerWaalsContact O-N 3.12Å; F377-M380 HydrophobicContact CD1-SD 4.27Å; F377-M380 PolarHBondContact O-N 3.38Å; F378-M380 VanDerWaalsContact C-N 3.3Å; F378-M380 PolarHBondContact O-N 3.18Å |
| 381 | G | 88.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -146.5 | -79.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F378 E379 G383 P384 I385 | F378-G381 CarbonylContact O-C 3.59Å; F378-G381 PolarHBondContact O-N 3.13Å; F378-G381 VanDerWaalsContact O-N 3.16Å; E379-G381 PolarHBondContact O-N 2.94Å; G381-G383 PolarHBondContact O-N 2.91Å; G381-G383 VanDerWaalsContact O-N 3.08Å; G381-P384 WeakPolarHBondContact O-CD 3.42Å; G381-I385 VanDerWaalsContact O-CB 3.26Å; G381-I385 WeakPolarHBondContact O-CB 3.48Å; G381-I385 VanDerWaalsContact O-CG1 3.24Å; G381-I385 WeakPolarHBondContact O-CG1 3.43Å; G381-I385 PolarHBondContact O-N 3.44Å; G381-I385 VanDerWaalsContact O-N 3.12Å |
| 382 | P | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.7 | -174.8 | -29.7 | 36.7 | 0 | 0 | 0 | 116.6 | Q281 L340 M343 F378 P386 | Q281-P382 WeakPolarHBondContact CG-O 3.5Å; Q281-P382 PolarHBondContact NE2-O 2.94Å; L340-P382 HydrophobicContact CD2-CB 4.49Å; L340-P382 HydrophobicContact CD2-CG 3.76Å; L340-P382 HydrophobicContact CG-CG 3.99Å; M343-P382 HydrophobicContact SD-CB 4.35Å; M343-P382 HydrophobicContact SD-CG 3.95Å; F378-P382 HydrophobicContact CD2-CB 3.9Å; F378-P382 HydrophobicContact CE2-CB 4.13Å; F378-P382 WeakPolarHBondContact O-CD 3.23Å; F378-P382 VanDerWaalsContact O-N 3.17Å; P382-P386 WeakPolarHBondContact O-CD 3.42Å; P382-P386 VanDerWaalsContact O-CG 3.27Å; P382-P386 WeakPolarHBondContact O-CG 3.35Å |
| 383 | G | 88.2 | Confident | 88.6 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -69.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q281 F378 G381 | Q281-G383 PolarHBondContact NE2-O 3.26Å; F378-G383 VanDerWaalsContact CZ-CA 3.46Å; F378-G383 PolarHBondContact O-N 3.49Å; G381-G383 PolarHBondContact O-N 2.91Å; G381-G383 VanDerWaalsContact O-N 3.08Å |
| 384 | P | 83.3 | Confident | 87.8 | Confident | 10 Ų | 10 | 17.5 Ų | 17.5 | 7% | 0.065 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -34.9 | -173.2 | 22.7 | -30 | 0 | 0 | 0 | 114.7 | S323 E379 G381 W387 F388 | S323-P384 WeakPolarHBondContact OG-CG 3.23Å; E379-P384 WeakPolarHBondContact O-CD 3.41Å; E379-P384 WeakPolarHBondContact O-CG 3.45Å; G381-P384 WeakPolarHBondContact O-CD 3.42Å; P384-W387 PolarHBondContact O-N 3.35Å; P384-F388 HydrophobicContact CB-CD2 4.24Å; P384-F388 HydrophobicContact CB-CE2 3.86Å; P384-F388 WeakPolarHBondContact O-CD2 3.22Å; P384-F388 PolarHBondContact O-N 3.35Å |
| 385 | I | 86.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.8 | -41.8 | -163.4 | -64.6 | 177.2 | 0 | 0 | 0 | 114.4 | R332 L335 H336 G381 W387 F388 I389 | R332-I385 HydrophobicContact CB-CG2 4.05Å; R332-I385 HydrophobicContact CG-CG2 4.46Å; R332-I385 VanDerWaalsContact O-CD1 3.3Å; R332-I385 WeakPolarHBondContact O-CD1 3.31Å; L335-I385 HydrophobicContact CB-CD1 3.53Å; H336-I385 HydrophobicContact CB-CD1 4.01Å; H336-I385 HydrophobicContact CB-CG2 4.24Å; G381-I385 VanDerWaalsContact O-CB 3.26Å; G381-I385 WeakPolarHBondContact O-CB 3.48Å; G381-I385 VanDerWaalsContact O-CG1 3.24Å; G381-I385 WeakPolarHBondContact O-CG1 3.43Å; G381-I385 PolarHBondContact O-N 3.44Å; G381-I385 VanDerWaalsContact O-N 3.12Å; I385-W387 PolarHBondContact O-N 3.35Å; I385-F388 PolarHBondContact O-N 3.26Å; I385-F388 VanDerWaalsContact O-N 3.11Å; I385-I389 HydrophobicContact CG2-CD1 3.33Å; I385-I389 HydrophobicContact CG2-CG1 3.73Å; I385-I389 PolarHBondContact O-N 2.97Å |
| 386 | P | 88.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.5 | -33.5 | 178.8 | -30.7 | 40.3 | 0 | 0 | 0 | 113.6 | L277 Q278 Q281 P382 V390 | L277-P386 HydrophobicContact CB-CB 4.05Å; L277-P386 HydrophobicContact CB-CG 4.25Å; L277-P386 VanDerWaalsContact O-CG 3.28Å; L277-P386 WeakPolarHBondContact O-CG 3.42Å; Q278-P386 PolarHBondContact NE2-O 3.15Å; Q281-P386 HydrophobicContact CB-CG 4.22Å; P382-P386 WeakPolarHBondContact O-CD 3.42Å; P382-P386 VanDerWaalsContact O-CG 3.27Å; P382-P386 WeakPolarHBondContact O-CG 3.35Å; P386-V390 WeakPolarHBondContact O-CG2 3.46Å; P386-V390 PolarHBondContact O-N 3.19Å |
| 387 | W | 80.8 | Confident | 84.9 | Confident | 87 Ų | 87 | 20.4 Ų | 20.4 | 33% | 0.33 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -73 | -39 | 177.5 | -66 | 111.1 | 0 | 0 | 0 | 112.6 | P384 I385 N410 | P384-W387 PolarHBondContact O-N 3.35Å; I385-W387 PolarHBondContact O-N 3.35Å; W387-N410 HydrophobicContact CH2-CB 4.3Å; W387-N410 HydrophobicContact CZ2-CB 4.32Å |
| 388 | F | 77.9 | Confident | 84.2 | Confident | 60 Ų | 60 | 17.5 Ų | 17.5 | 26% | 0.263 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -69.4 | -47.5 | 176.7 | -68.3 | -57.3 | 0 | 0 | 0 | 112.3 | T157 P384 I385 V390 A391 E392 | T157-F388 HydrophobicContact CG2-CZ 4.12Å; P384-F388 HydrophobicContact CB-CD2 4.24Å; P384-F388 HydrophobicContact CB-CE2 3.86Å; P384-F388 WeakPolarHBondContact O-CD2 3.22Å; P384-F388 PolarHBondContact O-N 3.35Å; I385-F388 PolarHBondContact O-N 3.26Å; I385-F388 VanDerWaalsContact O-N 3.11Å; F388-V390 VanDerWaalsContact C-N 3.29Å; F388-V390 PolarHBondContact O-N 3.47Å; F388-A391 PolarHBondContact O-N 3.17Å; F388-E392 WeakPolarHBondContact O-CG 3.5Å; F388-E392 PolarHBondContact O-N 3.27Å |
| 389 | I | 82.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.4 | -37.6 | -175.6 | -73.1 | -176.3 | 0 | 0 | 0 | 111.3 | L277 R332 I385 A391 E392 L393 V451 | L277-I389 HydrophobicContact CD1-CB 3.98Å; L277-I389 HydrophobicContact CD1-CD1 3.8Å; L277-I389 HydrophobicContact CD1-CG1 4.49Å; L277-I389 HydrophobicContact CD1-CG2 3.55Å; R332-I389 HydrophobicContact CB-CD1 4.06Å; R332-I389 HydrophobicContact CB-CG1 4.19Å; R332-I389 HydrophobicContact CG-CG1 4.37Å; I385-I389 HydrophobicContact CG2-CD1 3.33Å; I385-I389 HydrophobicContact CG2-CG1 3.73Å; I385-I389 PolarHBondContact O-N 2.97Å; I389-A391 VanDerWaalsContact C-N 3.27Å; I389-A391 PolarHBondContact O-N 3.19Å; I389-E392 CarbonylContact O-C 3.46Å; I389-E392 PolarHBondContact O-N 2.97Å; I389-E392 VanDerWaalsContact O-N 3.11Å; I389-L393 HydrophobicContact CG2-CD1 3.41Å; I389-L393 VanDerWaalsContact CG2-CD1 3.41Å; I389-L393 HydrophobicContact CG2-CD2 4.4Å; I389-L393 HydrophobicContact CG2-CG 3.62Å; I389-L393 WeakPolarHBondContact O-CB 3.25Å; I389-L393 VanDerWaalsContact O-CG 3.24Å; I389-L393 WeakPolarHBondContact O-CG 3.48Å; I389-L393 PolarHBondContact O-N 3.24Å; I389-V451 HydrophobicContact CD1-CG1 4.14Å |
| 390 | V | 83.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -39.4 | 177.3 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | A274 P386 F388 F394 A402 I403 A406 | A274-V390 HydrophobicContact CB-CG2 3.77Å; P386-V390 WeakPolarHBondContact O-CG2 3.46Å; P386-V390 PolarHBondContact O-N 3.19Å; F388-V390 VanDerWaalsContact C-N 3.29Å; F388-V390 PolarHBondContact O-N 3.47Å; V390-F394 WeakPolarHBondContact O-CD2 3.39Å; V390-A402 HydrophobicContact CG1-CB 4.47Å; V390-I403 HydrophobicContact CG1-CG1 3.81Å; V390-A406 HydrophobicContact CB-CB 4.5Å; V390-A406 HydrophobicContact CG1-CB 3.96Å; V390-A406 HydrophobicContact CG2-CB 3.79Å |
| 391 | A | 78.2 | Confident | 82.8 | Confident | 38 Ų | 38 | 23.4 Ų | 23.4 | 31% | 0.314 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -72.4 | -30.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | F388 I389 R399 F459 | F388-A391 PolarHBondContact O-N 3.17Å; I389-A391 VanDerWaalsContact C-N 3.27Å; I389-A391 PolarHBondContact O-N 3.19Å; A391-R399 PolarHBondContact O-NE 3.43Å; A391-F459 VanDerWaalsContact O-CE1 3.27Å; A391-F459 WeakPolarHBondContact O-CE1 3.41Å |
| 392 | E | 81.8 | Confident | 82.7 | Confident | 39 Ų | 39 | 23.4 Ų | 23.4 | 18% | 0.182 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -81.7 | -25.6 | -179.8 | -68.1 | 175.3 | 178.9 | 0 | 0 | 113.4 | R332 F388 I389 T454 F459 I462 | R332-E392 IonicContact CZ-OE1 2.8Å; R332-E392 IonicContact NE-OE1 2.79Å; R332-E392 PolarHBondContact NE-OE1 2.98Å; R332-E392 IonicContact NE-OE2 3.3Å; R332-E392 PolarHBondContact NE-OE2 2.88Å; R332-E392 IonicContact NH2-OE1 3.39Å; R332-E392 PolarHBondContact NH2-OE1 2.85Å; F388-E392 WeakPolarHBondContact O-CG 3.5Å; F388-E392 PolarHBondContact O-N 3.27Å; I389-E392 CarbonylContact O-C 3.46Å; I389-E392 PolarHBondContact O-N 2.97Å; I389-E392 VanDerWaalsContact O-N 3.11Å; E392-T454 HydrophobicContact CB-CG2 4.26Å; E392-T454 WeakPolarHBondContact OE2-CB 3.39Å; E392-T454 PolarHBondContact OE2-OG1 2.93Å; E392-F459 VanDerWaalsContact O-CD1 3.23Å; E392-F459 WeakPolarHBondContact O-CD1 3.23Å; E392-F459 WeakPolarHBondContact O-CE1 3.44Å; E392-I462 WeakPolarHBondContact O-CD1 3.44Å |
| 393 | L | 83.1 | Confident | 82.3 | Confident | 14 Ų | 14 | 27 Ų | 27 | 7% | 0.073 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -80.8 | -19.8 | -179 | -76.1 | 176.4 | 0 | 0 | 0 | 114.6 | P270 I273 I389 P452 T454 I462 F466 | P270-L393 HydrophobicContact CB-CB 4.48Å; I273-L393 HydrophobicContact CB-CD1 4.14Å; I273-L393 HydrophobicContact CG2-CD1 3.7Å; I389-L393 HydrophobicContact CG2-CD1 3.41Å; I389-L393 VanDerWaalsContact CG2-CD1 3.41Å; I389-L393 HydrophobicContact CG2-CD2 4.4Å; I389-L393 HydrophobicContact CG2-CG 3.62Å; I389-L393 WeakPolarHBondContact O-CB 3.25Å; I389-L393 VanDerWaalsContact O-CG 3.24Å; I389-L393 WeakPolarHBondContact O-CG 3.48Å; I389-L393 PolarHBondContact O-N 3.24Å; L393-P452 HydrophobicContact CD2-CG 4.05Å; L393-T454 HydrophobicContact CD2-CG2 4.4Å; L393-I462 HydrophobicContact CD2-CG2 4Å; L393-F466 HydrophobicContact CD2-CE2 3.75Å; L393-F466 HydrophobicContact CD2-CZ 3.81Å |
| 394 | F | 81.2 | Confident | 82.2 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -123.1 | 134.8 | -171.3 | -68.9 | -86.9 | 0 | 0 | 0 | 112 | L261 P270 I271 A274 V390 P398 R399 A402 F459 | L261-F394 HydrophobicContact CD2-CE1 4.02Å; P270-F394 HydrophobicContact CB-CE1 3.79Å; P270-F394 HydrophobicContact CB-CE2 3.98Å; P270-F394 HydrophobicContact CB-CZ 3.51Å; I271-F394 HydrophobicContact CB-CZ 3.91Å; I271-F394 HydrophobicContact CD1-CE2 4.42Å; I271-F394 HydrophobicContact CD1-CZ 3.93Å; A274-F394 HydrophobicContact CB-CE2 4.19Å; V390-F394 WeakPolarHBondContact O-CD2 3.39Å; F394-P398 HydrophobicContact CB-CG 4.27Å; F394-P398 HydrophobicContact CD1-CB 3.91Å; F394-P398 HydrophobicContact CD1-CG 3.97Å; F394-R399 HydrophobicContact CB-CB 3.93Å; F394-R399 PolarHBondContact O-NE 3.29Å; F394-R399 PolarHBondContact O-NH2 3.29Å; F394-A402 HydrophobicContact CB-CB 4.44Å; F394-A402 HydrophobicContact CD1-CB 3.93Å; F394-A402 HydrophobicContact CD2-CB 3.48Å; F394-A402 VanDerWaalsContact CD2-CB 3.48Å; F394-A402 HydrophobicContact CE1-CB 3.94Å; F394-A402 HydrophobicContact CE2-CB 3.5Å; F394-A402 HydrophobicContact CG-CB 3.69Å; F394-A402 HydrophobicContact CZ-CB 3.7Å; F394-F459 WeakPolarHBondContact O-CE1 3.18Å |
| 395 | S | 77.9 | Confident | 82.5 | Confident | 32 Ų | 32 | 28.3 Ų | 28.3 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | trans | -67.9 | 176.3 | 169.7 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | E253 G397 P398 R399 | E253-S395 VanDerWaalsContact OE2-CB 3.27Å; E253-S395 WeakPolarHBondContact OE2-CB 3.38Å; E253-S395 PolarHBondContact OE2-OG 2.68Å; S395-G397 VanDerWaalsContact C-N 3.34Å; S395-G397 PolarHBondContact O-N 2.74Å; S395-P398 WeakPolarHBondContact O-CD 3.49Å; S395-P398 VanDerWaalsContact OG-CD 3.3Å; S395-P398 WeakPolarHBondContact OG-CD 3.47Å; S395-R399 WeakPolarHBondContact O-CB 3.42Å; S395-R399 PolarHBondContact O-N 2.69Å; S395-R399 VanDerWaalsContact O-N 3.12Å | ||
| 396 | Q | 73.8 | Confident | 82.7 | Confident | 33 Ų | 33 | 28.3 Ų | 28.3 | 15% | 0.154 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -34.7 | -168.3 | -60.7 | -158.5 | 37.3 | 0 | 0 | 114 | E246 M250 E253 P400 | E246-Q396 PolarHBondContact O-OE1 3.47Å; M250-Q396 HydrophobicContact CB-CB 4.43Å; M250-Q396 HydrophobicContact CG-CB 4.31Å; E253-Q396 PolarHBondContact OE2-N 3.33Å; Q396-P400 VanDerWaalsContact O-CD 3.32Å; Q396-P400 WeakPolarHBondContact O-CD 3.47Å |
| 397 | G | 78.3 | Confident | 82.6 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -57.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | E253 S395 | E253-G397 PolarHBondContact OE2-N 3.42Å; S395-G397 VanDerWaalsContact C-N 3.34Å; S395-G397 PolarHBondContact O-N 2.74Å |
| 398 | P | 82.6 | Confident | 83 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -21.4 | -178.3 | 28.4 | -34.1 | 0 | 0 | 0 | 115.3 | V256 L261 Y267 F394 S395 S401 A402 | V256-P398 HydrophobicContact CB-CB 3.93Å; V256-P398 HydrophobicContact CG1-CB 4.44Å; V256-P398 HydrophobicContact CG2-CB 3.88Å; V256-P398 HydrophobicContact CG2-CG 4.45Å; L261-P398 HydrophobicContact CD2-CB 3.75Å; Y267-P398 HydrophobicContact CD1-CB 4.4Å; Y267-P398 HydrophobicContact CD1-CG 4.36Å; Y267-P398 HydrophobicContact CE1-CB 4.19Å; Y267-P398 HydrophobicContact CE1-CG 3.85Å; F394-P398 HydrophobicContact CB-CG 4.27Å; F394-P398 HydrophobicContact CD1-CB 3.91Å; F394-P398 HydrophobicContact CD1-CG 3.97Å; S395-P398 WeakPolarHBondContact O-CD 3.49Å; S395-P398 VanDerWaalsContact OG-CD 3.3Å; S395-P398 WeakPolarHBondContact OG-CD 3.47Å; P398-S401 PolarHBondContact O-N 3.41Å; P398-S401 VanDerWaalsContact O-N 3.14Å; P398-A402 PolarHBondContact O-N 3.28Å |
| 399 | R | 81.9 | Confident | 83.7 | Confident | 58 Ų | 58 | 26.4 Ų | 26.4 | 22% | 0.219 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.6 | -44.2 | -174.3 | -178.9 | -172.8 | -53.3 | 156 | 4.6 | 114.4 | A391 F394 S395 S401 A402 I403 F459 | A391-R399 PolarHBondContact O-NE 3.43Å; F394-R399 HydrophobicContact CB-CB 3.93Å; F394-R399 PolarHBondContact O-NE 3.29Å; F394-R399 PolarHBondContact O-NH2 3.29Å; S395-R399 WeakPolarHBondContact O-CB 3.42Å; S395-R399 PolarHBondContact O-N 2.69Å; S395-R399 VanDerWaalsContact O-N 3.12Å; R399-S401 PolarHBondContact O-N 2.89Å; R399-A402 PolarHBondContact O-N 3.3Å; R399-I403 HydrophobicContact CG-CD1 3.74Å; R399-I403 HydrophobicContact CG-CG1 4.27Å; R399-I403 WeakPolarHBondContact O-CG1 3.36Å; R399-I403 PolarHBondContact O-N 2.85Å; R399-F459 VanDerWaalsContact NH2-CE1 3.31Å |
| 400 | P | 81.9 | Confident | 84.1 | Confident | 86 Ų | 86 | 26.7 Ų | 26.7 | 56% | 0.558 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -59.2 | -43.8 | 178.6 | -25.3 | 35.4 | 0 | 0 | 0 | 113.2 | Q396 A404 | Q396-P400 VanDerWaalsContact O-CD 3.32Å; Q396-P400 WeakPolarHBondContact O-CD 3.47Å; P400-A404 PolarHBondContact O-N 2.93Å; P400-A404 VanDerWaalsContact O-N 3.14Å |
| 401 | S | 84.4 | Confident | 84.5 | Confident | 23 Ų | 23 | 26.8 Ų | 26.8 | 16% | 0.161 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71.4 | -35.2 | 177.3 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | V256 P398 R399 A404 V405 | V256-S401 PolarHBondContact O-OG 2.98Å; P398-S401 PolarHBondContact O-N 3.41Å; P398-S401 VanDerWaalsContact O-N 3.14Å; R399-S401 PolarHBondContact O-N 2.89Å; S401-A404 PolarHBondContact O-N 3.17Å; S401-V405 WeakPolarHBondContact O-CG2 3.46Å; S401-V405 PolarHBondContact O-N 3.02Å |
| 402 | A | 87.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L261 I271 V390 F394 P398 R399 A404 V405 A406 | L261-A402 HydrophobicContact CD1-CB 4.32Å; I271-A402 HydrophobicContact CD1-CB 4.07Å; V390-A402 HydrophobicContact CG1-CB 4.47Å; F394-A402 HydrophobicContact CB-CB 4.44Å; F394-A402 HydrophobicContact CD1-CB 3.93Å; F394-A402 HydrophobicContact CD2-CB 3.48Å; F394-A402 VanDerWaalsContact CD2-CB 3.48Å; F394-A402 HydrophobicContact CE1-CB 3.94Å; F394-A402 HydrophobicContact CE2-CB 3.5Å; F394-A402 HydrophobicContact CG-CB 3.69Å; F394-A402 HydrophobicContact CZ-CB 3.7Å; P398-A402 PolarHBondContact O-N 3.28Å; R399-A402 PolarHBondContact O-N 3.3Å; A402-A404 VanDerWaalsContact C-N 3.34Å; A402-A404 PolarHBondContact O-N 3.3Å; A402-V405 PolarHBondContact O-N 2.96Å; A402-A406 VanDerWaalsContact O-CB 3.26Å; A402-A406 WeakPolarHBondContact O-CB 3.33Å; A402-A406 PolarHBondContact O-N 2.94Å |
| 403 | I | 85.4 | Confident | 85.8 | Confident | 76 Ų | 76 | 25 Ų | 25 | 39% | 0.39 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 174.4 | -69.5 | 171.1 | 0 | 0 | 0 | 110.9 | V390 R399 A406 G407 | V390-I403 HydrophobicContact CG1-CG1 3.81Å; R399-I403 HydrophobicContact CG-CD1 3.74Å; R399-I403 HydrophobicContact CG-CG1 4.27Å; R399-I403 WeakPolarHBondContact O-CG1 3.36Å; R399-I403 PolarHBondContact O-N 2.85Å; I403-A406 PolarHBondContact O-N 3.33Å; I403-G407 PolarHBondContact O-N 3.13Å |
| 404 | A | 85.6 | Confident | 86.2 | Confident | 29 Ų | 29 | 24.5 Ų | 24.5 | 24% | 0.24 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | P400 S401 A402 G407 F408 | P400-A404 PolarHBondContact O-N 2.93Å; P400-A404 VanDerWaalsContact O-N 3.14Å; S401-A404 PolarHBondContact O-N 3.17Å; A402-A404 VanDerWaalsContact C-N 3.34Å; A402-A404 PolarHBondContact O-N 3.3Å; A404-G407 PolarHBondContact O-N 3Å; A404-F408 PolarHBondContact O-N 3.27Å |
| 405 | V | 89.8 | Confident | 86.7 | Confident | 9 Ų | 9 | 27.3 Ų | 27.3 | 6% | 0.055 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -43.5 | 176 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | I258 L261 F262 I271 I275 S401 A402 G407 F408 S409 | I258-V405 HydrophobicContact CG1-CG2 4.26Å; I258-V405 HydrophobicContact CG2-CG2 3.68Å; L261-V405 HydrophobicContact CD1-CG2 4.39Å; F262-V405 HydrophobicContact CE2-CG1 4.32Å; F262-V405 HydrophobicContact CE2-CG2 4.16Å; F262-V405 HydrophobicContact CZ-CG1 3.77Å; F262-V405 HydrophobicContact CZ-CG2 4.43Å; I271-V405 HydrophobicContact CD1-CB 4.06Å; I271-V405 HydrophobicContact CD1-CG1 3.89Å; I271-V405 HydrophobicContact CG1-CG1 4.14Å; I275-V405 HydrophobicContact CD1-CG1 3.82Å; I275-V405 HydrophobicContact CG1-CG1 3.85Å; S401-V405 WeakPolarHBondContact O-CG2 3.46Å; S401-V405 PolarHBondContact O-N 3.02Å; A402-V405 PolarHBondContact O-N 2.96Å; V405-G407 VanDerWaalsContact C-N 3.34Å; V405-G407 PolarHBondContact O-N 3.36Å; V405-F408 VanDerWaalsContact O-CB 3.31Å; V405-F408 WeakPolarHBondContact O-CB 3.49Å; V405-F408 PolarHBondContact O-N 3.42Å; V405-S409 PolarHBondContact O-N 2.95Å; V405-S409 PolarHBondContact O-OG 3.45Å |
| 406 | A | 89.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q278 V390 A402 I403 S409 N410 | Q278-A406 HydrophobicContact CG-CB 3.85Å; Q278-A406 WeakPolarHBondContact CG-O 3.34Å; V390-A406 HydrophobicContact CB-CB 4.5Å; V390-A406 HydrophobicContact CG1-CB 3.96Å; V390-A406 HydrophobicContact CG2-CB 3.79Å; A402-A406 VanDerWaalsContact O-CB 3.26Å; A402-A406 WeakPolarHBondContact O-CB 3.33Å; A402-A406 PolarHBondContact O-N 2.94Å; I403-A406 PolarHBondContact O-N 3.33Å; A406-S409 PolarHBondContact O-N 3.01Å; A406-N410 WeakPolarHBondContact O-CB 3.45Å; A406-N410 PolarHBondContact O-N 3.28Å |
| 407 | G | 87 | Confident | 88.2 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I403 A404 V405 S409 N410 W411 | I403-G407 PolarHBondContact O-N 3.13Å; A404-G407 PolarHBondContact O-N 3Å; V405-G407 VanDerWaalsContact C-N 3.34Å; V405-G407 PolarHBondContact O-N 3.36Å; G407-S409 PolarHBondContact O-N 2.9Å; G407-N410 WeakPolarHBondContact O-CB 3.15Å; G407-N410 PolarHBondContact O-N 3.46Å; G407-W411 PolarHBondContact O-N 3Å |
| 408 | F | 89.3 | Confident | 88.7 | Confident | 87 Ų | 87 | 28.5 Ų | 28.5 | 38% | 0.382 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -55.4 | -51.8 | 173.6 | -174.8 | -126.1 | 0 | 0 | 0 | 112.5 | I76 F80 A404 V405 N410 W411 T412 | I76-F408 HydrophobicContact CG2-CD2 3.8Å; I76-F408 HydrophobicContact CG2-CE2 3.81Å; F80-F408 HydrophobicContact CD2-CB 4.49Å; F80-F408 HydrophobicContact CD2-CD2 4.26Å; F80-F408 HydrophobicContact CE2-CB 3.26Å; F80-F408 AromaticContact CE2-CD2 3.2Å; F80-F408 HydrophobicContact CE2-CD2 3.2Å; F80-F408 HydrophobicContact CE2-CE2 4.16Å; F80-F408 AromaticContact CE2-CG 3.41Å; F80-F408 HydrophobicContact CE2-CG 3.41Å; F80-F408 VanDerWaalsContact CE2-CG 3.41Å; F80-F408 HydrophobicContact CZ-CB 3.45Å; F80-F408 VanDerWaalsContact CZ-CB 3.45Å; F80-F408 HydrophobicContact CZ-CD1 4.33Å; F80-F408 AromaticContact CZ-CD2 3.66Å; F80-F408 HydrophobicContact CZ-CD2 3.66Å; F80-F408 HydrophobicContact CZ-CE2 4.45Å; F80-F408 AromaticContact CZ-CG 3.52Å; F80-F408 HydrophobicContact CZ-CG 3.52Å; A404-F408 PolarHBondContact O-N 3.27Å; V405-F408 VanDerWaalsContact O-CB 3.31Å; V405-F408 WeakPolarHBondContact O-CB 3.49Å; V405-F408 PolarHBondContact O-N 3.42Å; F408-N410 VanDerWaalsContact C-N 3.27Å; F408-N410 PolarHBondContact O-N 3.16Å; F408-W411 PolarHBondContact O-N 3.48Å; F408-T412 WeakPolarHBondContact CE2-OG1 3.46Å; F408-T412 WeakPolarHBondContact O-CB 2.94Å; F408-T412 PolarHBondContact O-N 2.97Å; F408-T412 PolarHBondContact O-OG1 3.39Å |
| 409 | S | 92.1 | Very high | 89 | Confident | 15 Ų | 15 | 31.1 Ų | 31.1 | 11% | 0.105 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -39.8 | -177.8 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | V405 A406 G407 A413 | V405-S409 PolarHBondContact O-N 2.95Å; V405-S409 PolarHBondContact O-OG 3.45Å; A406-S409 PolarHBondContact O-N 3.01Å; G407-S409 PolarHBondContact O-N 2.9Å; S409-A413 VanDerWaalsContact O-CB 3.31Å; S409-A413 WeakPolarHBondContact O-CB 3.36Å; S409-A413 PolarHBondContact O-N 3.32Å |
| 410 | N | 91.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -58.3 | 175.2 | -170.4 | -79.8 | 0 | 0 | 0 | 111.5 | Q278 Q281 Q282 W387 A406 G407 F408 T412 A413 N414 | Q278-N410 HydrophobicContact CB-CB 4.16Å; Q278-N410 PolarHBondContact OE1-ND2 3.47Å; Q281-N410 PolarHBondContact OE1-ND2 2.93Å; Q282-N410 WeakPolarHBondContact CG-O 3.46Å; Q282-N410 VanDerWaalsContact NE2-CG 3.31Å; Q282-N410 PolarHBondContact NE2-ND2 3.37Å; Q282-N410 VanDerWaalsContact NE2-ND2 3.18Å; Q282-N410 PolarHBondContact NE2-OD1 3.4Å; W387-N410 HydrophobicContact CH2-CB 4.3Å; W387-N410 HydrophobicContact CZ2-CB 4.32Å; A406-N410 WeakPolarHBondContact O-CB 3.45Å; A406-N410 PolarHBondContact O-N 3.28Å; G407-N410 WeakPolarHBondContact O-CB 3.15Å; G407-N410 PolarHBondContact O-N 3.46Å; F408-N410 VanDerWaalsContact C-N 3.27Å; F408-N410 PolarHBondContact O-N 3.16Å; N410-T412 VanDerWaalsContact C-N 3.29Å; N410-T412 PolarHBondContact O-N 2.93Å; N410-A413 PolarHBondContact O-N 3.37Å; N410-N414 WeakPolarHBondContact O-CB 3.4Å; N410-N414 PolarHBondContact O-N 3.26Å |
| 411 | W | 91.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.6 | -33.2 | -177.9 | -74.8 | 109.9 | 0 | 0 | 0 | 113.2 | F25 F71 I76 T136 G407 F408 N414 F415 | F25-W411 HydrophobicContact CD2-CH2 4.12Å; F25-W411 AromaticContact CE2-CH2 3.41Å; F25-W411 HydrophobicContact CE2-CH2 3.41Å; F25-W411 VanDerWaalsContact CE2-CH2 3.41Å; F25-W411 HydrophobicContact CE2-CZ2 4.01Å; F25-W411 HydrophobicContact CE2-CZ3 4.27Å; F25-W411 AromaticContact CZ-CH2 3.98Å; F25-W411 HydrophobicContact CZ-CH2 3.98Å; F25-W411 HydrophobicContact CZ-CZ2 4.24Å; F71-W411 HydrophobicContact CD1-CZ3 4.27Å; F71-W411 HydrophobicContact CE1-CH2 4.09Å; F71-W411 AromaticContact CE1-CZ3 3.83Å; F71-W411 HydrophobicContact CE1-CZ3 3.83Å; F71-W411 HydrophobicContact CZ-CH2 4.25Å; F71-W411 HydrophobicContact CZ-CZ3 4.41Å; I76-W411 HydrophobicContact CB-CB 4.42Å; I76-W411 HydrophobicContact CG1-CB 3.48Å; I76-W411 VanDerWaalsContact CG1-CB 3.48Å; T136-W411 HydrophobicContact CG2-CZ2 4.03Å; G407-W411 PolarHBondContact O-N 3Å; F408-W411 PolarHBondContact O-N 3.48Å; W411-N414 WeakPolarHBondContact O-CB 3.42Å; W411-N414 PolarHBondContact O-N 3.45Å; W411-F415 WeakPolarHBondContact O-CB 3.26Å; W411-F415 PolarHBondContact O-N 3.33Å |
| 412 | T | 92.9 | Very high | 89.7 | Confident | 38 Ų | 38 | 25.1 Ų | 25.1 | 23% | 0.233 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.5 | -44.8 | 175.5 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | F408 N410 N414 F415 I416 | F408-T412 WeakPolarHBondContact CE2-OG1 3.46Å; F408-T412 WeakPolarHBondContact O-CB 2.94Å; F408-T412 PolarHBondContact O-N 2.97Å; F408-T412 PolarHBondContact O-OG1 3.39Å; N410-T412 VanDerWaalsContact C-N 3.29Å; N410-T412 PolarHBondContact O-N 2.93Å; T412-N414 VanDerWaalsContact C-N 3.33Å; T412-F415 WeakPolarHBondContact O-CB 3.31Å; T412-F415 PolarHBondContact O-N 2.94Å; T412-I416 HydrophobicContact CG2-CD1 4.31Å; T412-I416 WeakPolarHBondContact O-CG1 3.45Å; T412-I416 PolarHBondContact O-N 2.97Å |
| 413 | A | 93.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L279 Q282 L283 S409 N410 I416 V417 | L279-A413 HydrophobicContact CD2-CB 3.71Å; Q282-A413 HydrophobicContact CB-CB 3.53Å; Q282-A413 HydrophobicContact CG-CB 4.21Å; L283-A413 HydrophobicContact CD2-CB 4.09Å; L283-A413 HydrophobicContact CG-CB 4.11Å; S409-A413 VanDerWaalsContact O-CB 3.31Å; S409-A413 WeakPolarHBondContact O-CB 3.36Å; S409-A413 PolarHBondContact O-N 3.32Å; N410-A413 PolarHBondContact O-N 3.37Å; A413-I416 PolarHBondContact O-N 3.2Å; A413-V417 WeakPolarHBondContact O-CG2 3.39Å; A413-V417 PolarHBondContact O-N 3.03Å |
| 414 | N | 91.7 | Very high | 90 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.8 | -48.9 | 172 | -175.8 | -42.5 | 0 | 0 | 0 | 110.9 | S72 Q282 N287 Y291 N410 W411 T412 I416 V417 A418 | S72-N414 PolarHBondContact OG-OD1 3.07Å; Q282-N414 HydrophobicContact CG-CB 4.47Å; N287-N414 PolarHBondContact ND2-ND2 3.17Å; N287-N414 PolarHBondContact ND2-OD1 3.19Å; Y291-N414 PolarHBondContact OH-ND2 2.94Å; Y291-N414 PolarHBondContact OH-OD1 3.31Å; N410-N414 WeakPolarHBondContact O-CB 3.4Å; N410-N414 PolarHBondContact O-N 3.26Å; W411-N414 WeakPolarHBondContact O-CB 3.42Å; W411-N414 PolarHBondContact O-N 3.45Å; T412-N414 VanDerWaalsContact C-N 3.33Å; N414-I416 PolarHBondContact O-N 2.53Å; N414-V417 PolarHBondContact O-N 3.37Å; N414-A418 VanDerWaalsContact O-CB 3.31Å; N414-A418 WeakPolarHBondContact O-CB 3.45Å; N414-A418 PolarHBondContact O-N 3.44Å |
| 415 | F | 92.4 | Very high | 90.1 | Very high | 61 Ų | 61 | 27.8 Ų | 27.8 | 27% | 0.268 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -56.1 | -47 | 176.1 | 172.2 | -107.1 | 0 | 0 | 0 | 112.4 | S69 V73 W411 T412 V417 A418 L419 | S69-F415 WeakPolarHBondContact O-CD2 3.46Å; V73-F415 HydrophobicContact CG2-CD2 3.49Å; V73-F415 VanDerWaalsContact CG2-CD2 3.49Å; V73-F415 HydrophobicContact CG2-CE2 3.47Å; V73-F415 VanDerWaalsContact CG2-CE2 3.47Å; V73-F415 HydrophobicContact CG2-CG 4.27Å; V73-F415 HydrophobicContact CG2-CZ 4.24Å; W411-F415 WeakPolarHBondContact O-CB 3.26Å; W411-F415 PolarHBondContact O-N 3.33Å; T412-F415 WeakPolarHBondContact O-CB 3.31Å; T412-F415 PolarHBondContact O-N 2.94Å; F415-V417 PolarHBondContact O-N 2.62Å; F415-A418 PolarHBondContact O-N 3.27Å; F415-L419 HydrophobicContact CE1-CD2 4.15Å; F415-L419 HydrophobicContact CE2-CD2 4.33Å; F415-L419 HydrophobicContact CZ-CD2 3.74Å; F415-L419 VanDerWaalsContact O-CB 3.32Å; F415-L419 WeakPolarHBondContact O-CB 3.32Å; F415-L419 PolarHBondContact O-N 3.32Å |
| 416 | I | 92.4 | Very high | 90 | Very high | 89 Ų | 89 | 32.6 Ų | 32.6 | 46% | 0.456 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.1 | -48.6 | 178.6 | -68.9 | 166 | 0 | 0 | 0 | 110.5 | T412 A413 N414 S420 | T412-I416 HydrophobicContact CG2-CD1 4.31Å; T412-I416 WeakPolarHBondContact O-CG1 3.45Å; T412-I416 PolarHBondContact O-N 2.97Å; A413-I416 PolarHBondContact O-N 3.2Å; N414-I416 PolarHBondContact O-N 2.53Å; I416-S420 VanDerWaalsContact O-CB 3.26Å; I416-S420 WeakPolarHBondContact O-CB 3.44Å; I416-S420 PolarHBondContact O-N 2.81Å; I416-S420 PolarHBondContact O-OG 2.97Å |
| 417 | V | 91.2 | Very high | 90.1 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.9 | -47 | 179.4 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | L283 N287 A288 A413 N414 F415 L419 F421 | L283-V417 HydrophobicContact CD2-CG2 3.71Å; N287-V417 HydrophobicContact CB-CG1 4.23Å; A288-V417 HydrophobicContact CB-CG1 4.35Å; A413-V417 WeakPolarHBondContact O-CG2 3.39Å; A413-V417 PolarHBondContact O-N 3.03Å; N414-V417 PolarHBondContact O-N 3.37Å; F415-V417 PolarHBondContact O-N 2.62Å; V417-L419 VanDerWaalsContact C-N 3.32Å; V417-L419 PolarHBondContact O-N 2.95Å; V417-F421 WeakPolarHBondContact O-CB 3.43Å; V417-F421 PolarHBondContact O-N 3.05Å |
| 418 | A | 88 | Confident | 90.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V68 Y291 Y292 N414 F415 | V68-A418 HydrophobicContact CG1-CB 4.44Å; Y291-A418 HydrophobicContact CD2-CB 4.09Å; Y291-A418 HydrophobicContact CE2-CB 3.78Å; Y292-A418 PolarHBondContact OH-O 3.23Å; N414-A418 VanDerWaalsContact O-CB 3.31Å; N414-A418 WeakPolarHBondContact O-CB 3.45Å; N414-A418 PolarHBondContact O-N 3.44Å; F415-A418 PolarHBondContact O-N 3.27Å |
| 419 | L | 89.1 | Confident | 90.3 | Very high | 56 Ų | 56 | 37.7 Ų | 37.7 | 29% | 0.293 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -75.8 | -46.2 | -178.5 | -178.5 | 64.8 | 0 | 0 | 0 | 112.3 | F415 V417 Y423 | F415-L419 HydrophobicContact CE1-CD2 4.15Å; F415-L419 HydrophobicContact CE2-CD2 4.33Å; F415-L419 HydrophobicContact CZ-CD2 3.74Å; F415-L419 VanDerWaalsContact O-CB 3.32Å; F415-L419 WeakPolarHBondContact O-CB 3.32Å; F415-L419 PolarHBondContact O-N 3.32Å; V417-L419 VanDerWaalsContact C-N 3.32Å; V417-L419 PolarHBondContact O-N 2.95Å; L419-Y423 WeakPolarHBondContact O-CD2 3.38Å; L419-Y423 WeakPolarHBondContact O-CE2 3.48Å |
| 420 | S | 88.8 | Confident | 90.1 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -85.2 | -23.9 | -169.4 | 65 | 0 | 0 | 0 | 0 | 114.3 | I416 Q422 Y423 I424 | I416-S420 VanDerWaalsContact O-CB 3.26Å; I416-S420 WeakPolarHBondContact O-CB 3.44Å; I416-S420 PolarHBondContact O-N 2.81Å; I416-S420 PolarHBondContact O-OG 2.97Å; S420-Q422 PolarHBondContact O-N 2.79Å; S420-Y423 PolarHBondContact O-N 2.83Å; S420-Y423 VanDerWaalsContact O-N 3.13Å; S420-I424 WeakPolarHBondContact O-CG1 3.23Å; S420-I424 PolarHBondContact O-N 3.35Å |
| 421 | F | 89 | Confident | 90.2 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.2 | -49.3 | -169.2 | 175.6 | -101.1 | 0 | 0 | 0 | 113.5 | A288 Y292 I296 V417 Y423 I424 E425 V432 F436 | A288-F421 HydrophobicContact CB-CD1 4.19Å; A288-F421 HydrophobicContact CB-CD2 3.45Å; A288-F421 VanDerWaalsContact CB-CD2 3.45Å; A288-F421 HydrophobicContact CB-CE1 4.22Å; A288-F421 HydrophobicContact CB-CE2 3.51Å; A288-F421 HydrophobicContact CB-CG 3.8Å; A288-F421 HydrophobicContact CB-CZ 3.89Å; Y292-F421 HydrophobicContact CD2-CB 4.4Å; Y292-F421 AromaticContact CD2-CD1 3.18Å; Y292-F421 HydrophobicContact CD2-CD1 3.18Å; Y292-F421 AromaticContact CD2-CE1 3.68Å; Y292-F421 HydrophobicContact CD2-CE1 3.68Å; Y292-F421 HydrophobicContact CD2-CG 4.03Å; Y292-F421 HydrophobicContact CE2-CB 4.06Å; Y292-F421 AromaticContact CE2-CD1 3.62Å; Y292-F421 HydrophobicContact CE2-CD1 3.62Å; Y292-F421 HydrophobicContact CE2-CG 4.2Å; Y292-F421 AromaticContact CG-CD1 3.91Å; Y292-F421 HydrophobicContact CG-CD1 3.91Å; Y292-F421 HydrophobicContact CG-CE1 4.03Å; I296-F421 HydrophobicContact CD1-CE1 4.38Å; I296-F421 HydrophobicContact CD1-CZ 3.98Å; I296-F421 HydrophobicContact CG1-CZ 4.27Å; V417-F421 WeakPolarHBondContact O-CB 3.43Å; V417-F421 PolarHBondContact O-N 3.05Å; F421-Y423 VanDerWaalsContact C-N 3.29Å; F421-Y423 PolarHBondContact O-N 2.95Å; F421-I424 PolarHBondContact O-N 2.86Å; F421-E425 VanDerWaalsContact O-CB 3.22Å; F421-E425 WeakPolarHBondContact O-CB 3.3Å; F421-E425 PolarHBondContact O-N 3.29Å; F421-V432 HydrophobicContact CD2-CG2 4.16Å; F421-V432 HydrophobicContact CE2-CG1 4.47Å; F421-V432 HydrophobicContact CE2-CG2 3.73Å; F421-F436 HydrophobicContact CD2-CE2 4.19Å; F421-F436 AromaticContact CD2-CZ 3.94Å; F421-F436 HydrophobicContact CD2-CZ 3.94Å; F421-F436 AromaticContact CE2-CE2 3.97Å; F421-F436 HydrophobicContact CE2-CE2 3.97Å; F421-F436 HydrophobicContact CE2-CZ 4.2Å |
| 422 | Q | 85.4 | Confident | 90.3 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -32.8 | -178.1 | -67.7 | -163.3 | 1.8 | 0 | 0 | 112.9 | Q36 T61 Y292 S420 R426 | Q36-Q422 VanDerWaalsContact NE2-NE2 3.16Å; T61-Q422 HydrophobicContact CG2-CB 4.38Å; Y292-Q422 HydrophobicContact CD1-CG 4.39Å; Y292-Q422 HydrophobicContact CE1-CG 4.01Å; Y292-Q422 HydrophobicContact CE2-CG 4.44Å; S420-Q422 PolarHBondContact O-N 2.79Å; Q422-R426 WeakPolarHBondContact O-CG 3.45Å; Q422-R426 PolarHBondContact O-N 3.48Å; Q422-R426 VanDerWaalsContact O-N 3.13Å |
| 423 | Y | 88.3 | Confident | 90.3 | Very high | 95 Ų | 95 | 44.3 Ų | 44.3 | 37% | 0.373 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.4 | -45.3 | 175.5 | -62.2 | -79.1 | 0 | 0 | 0 | 111.3 | A62 L419 S420 F421 E425 R426 V427 | A62-Y423 WeakPolarHBondContact CA-OH 3.48Å; L419-Y423 WeakPolarHBondContact O-CD2 3.38Å; L419-Y423 WeakPolarHBondContact O-CE2 3.48Å; S420-Y423 PolarHBondContact O-N 2.83Å; S420-Y423 VanDerWaalsContact O-N 3.13Å; F421-Y423 VanDerWaalsContact C-N 3.29Å; F421-Y423 PolarHBondContact O-N 2.95Å; Y423-E425 VanDerWaalsContact C-N 3.33Å; Y423-R426 PolarHBondContact O-N 2.88Å; Y423-V427 PolarHBondContact O-N 3.01Å |
| 424 | I | 89.9 | Confident | 90.4 | Very high | 56 Ų | 56 | 47 Ų | 47 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64 | -42 | 176.6 | -63.6 | 170.2 | 0 | 0 | 0 | 110.1 | S420 F421 R426 V427 C428 V432 I435 | S420-I424 WeakPolarHBondContact O-CG1 3.23Å; S420-I424 PolarHBondContact O-N 3.35Å; F421-I424 PolarHBondContact O-N 2.86Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.27Å; I424-V427 PolarHBondContact O-N 3.42Å; I424-V427 VanDerWaalsContact O-N 3.16Å; I424-C428 WeakPolarHBondContact O-CB 3.46Å; I424-C428 PolarHBondContact O-N 3Å; I424-V432 HydrophobicContact CG2-CG2 3.99Å; I424-I435 HydrophobicContact CG2-CD1 3.35Å |
| 425 | E | 89.3 | Confident | 90.5 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -39.8 | 177.4 | -171 | -159.6 | -163.3 | 0 | 0 | 111.8 | R295 K299 F421 Y423 G429 | R295-E425 IonicContact CZ-OE2 2.98Å; R295-E425 IonicContact NE-OE1 3.47Å; R295-E425 IonicContact NE-OE2 2.82Å; R295-E425 PolarHBondContact NE-OE2 2.81Å; R295-E425 IonicContact NH2-OE2 3.86Å; R295-E425 PolarHBondContact NH2-OE2 3.34Å; K299-E425 WeakPolarHBondContact CD-OE1 3.45Å; K299-E425 WeakPolarHBondContact CE-OE1 3.22Å; K299-E425 IonicContact NZ-OE1 3.6Å; K299-E425 PolarHBondContact NZ-OE1 3.46Å; K299-E425 IonicContact NZ-OE2 3.75Å; K299-E425 PolarHBondContact NZ-OE2 2.92Å; F421-E425 VanDerWaalsContact O-CB 3.22Å; F421-E425 WeakPolarHBondContact O-CB 3.3Å; F421-E425 PolarHBondContact O-N 3.29Å; Y423-E425 VanDerWaalsContact C-N 3.33Å; E425-G429 WeakPolarHBondContact O-CA 3.3Å; E425-G429 PolarHBondContact O-N 2.87Å |
| 426 | R | 87.1 | Confident | 90.6 | Very high | 109 Ų | 109 | 47.7 Ų | 47.7 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65 | -36.8 | 176.6 | -79 | 178 | 167.9 | 170.2 | 1.5 | 113.3 | T61 Q422 Y423 I424 | T61-R426 PolarHBondContact OG1-NH1 2.95Å; T61-R426 PolarHBondContact OG1-NH2 3.29Å; Q422-R426 WeakPolarHBondContact O-CG 3.45Å; Q422-R426 PolarHBondContact O-N 3.48Å; Q422-R426 VanDerWaalsContact O-N 3.13Å; Y423-R426 PolarHBondContact O-N 2.88Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.27Å |
| 427 | V | 91.3 | Very high | 90.9 | Very high | 130 Ų | 130 | 44.2 Ų | 44.2 | 79% | 0.788 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -82.6 | -42.4 | -178.1 | 178 | 0 | 0 | 0 | 0 | 111.4 | Y423 I424 | Y423-V427 PolarHBondContact O-N 3.01Å; I424-V427 PolarHBondContact O-N 3.42Å; I424-V427 VanDerWaalsContact O-N 3.16Å |
| 428 | C | 91.4 | Very high | 91.2 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -90.6 | -20 | -173.5 | -62 | 0 | 0 | 0 | 0 | 113.7 | I424 Y431 V432 | I424-C428 WeakPolarHBondContact O-CB 3.46Å; I424-C428 PolarHBondContact O-N 3Å; C428-Y431 WeakPolarHBondContact O-CB 3.45Å; C428-Y431 WeakPolarHBondContact O-CD2 3.33Å; C428-Y431 PolarHBondContact O-N 2.7Å; C428-V432 HydrophobicContact CB-CB 4.33Å |
| 429 | G | 89.4 | Confident | 91.6 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | 53 | -126.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E425 Y431 V432 | E425-G429 WeakPolarHBondContact O-CA 3.3Å; E425-G429 PolarHBondContact O-N 2.87Å; G429-Y431 PolarHBondContact O-N 3.39Å; G429-Y431 VanDerWaalsContact O-N 3.08Å; G429-V432 PolarHBondContact O-N 3.31Å |
| 430 | P | 88.4 | Confident | 92 | Very high | 46 Ų | 46 | 49 Ų | 49 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -56.8 | -22.7 | 178.1 | -26.2 | 36 | 0 | 0 | 0 | 115.2 | T351 L354 A355 V432 | T351-P430 PolarHBondContact OG1-O 2.94Å; L354-P430 HydrophobicContact CB-CB 3.78Å; L354-P430 HydrophobicContact CB-CG 4.44Å; A355-P430 HydrophobicContact CB-CB 4.35Å; P430-V432 VanDerWaalsContact C-N 3.34Å; P430-V432 PolarHBondContact O-N 2.86Å |
| 431 | Y | 93.6 | Very high | 92.5 | Very high | 147 Ų | 147 | 50.8 Ų | 50.8 | 58% | 0.576 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -87.4 | 2.3 | -173.7 | -56.1 | -74.8 | 0 | 0 | 0 | 113.9 | T351 C428 G429 F433 V434 | T351-Y431 HydrophobicContact CG2-CD1 3.94Å; T351-Y431 HydrophobicContact CG2-CE1 4.41Å; C428-Y431 WeakPolarHBondContact O-CB 3.45Å; C428-Y431 WeakPolarHBondContact O-CD2 3.33Å; C428-Y431 PolarHBondContact O-N 2.7Å; G429-Y431 PolarHBondContact O-N 3.39Å; G429-Y431 VanDerWaalsContact O-N 3.08Å; Y431-F433 PolarHBondContact O-N 2.9Å; Y431-V434 HydrophobicContact CD1-CG2 4.31Å; Y431-V434 VanDerWaalsContact O-CB 3.25Å; Y431-V434 WeakPolarHBondContact O-CB 3.42Å; Y431-V434 WeakPolarHBondContact O-CG2 3.48Å; Y431-V434 PolarHBondContact O-N 3.01Å |
| 432 | V | 92.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.7 | -36.9 | 178.9 | 65.3 | 0 | 0 | 0 | 0 | 112.7 | F421 I424 C428 G429 P430 V434 I435 | F421-V432 HydrophobicContact CD2-CG2 4.16Å; F421-V432 HydrophobicContact CE2-CG1 4.47Å; F421-V432 HydrophobicContact CE2-CG2 3.73Å; I424-V432 HydrophobicContact CG2-CG2 3.99Å; C428-V432 HydrophobicContact CB-CB 4.33Å; G429-V432 PolarHBondContact O-N 3.31Å; P430-V432 VanDerWaalsContact C-N 3.34Å; P430-V432 PolarHBondContact O-N 2.86Å; V432-V434 VanDerWaalsContact C-N 3.26Å; V432-V434 PolarHBondContact O-N 3.46Å; V432-I435 WeakPolarHBondContact O-CB 3.37Å; V432-I435 PolarHBondContact O-N 3.27Å |
| 433 | F | 92.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.5 | -14.2 | 178.6 | -69.4 | -86.2 | 0 | 0 | 0 | 114 | I296 A347 M350 T351 L354 I371 Y431 I435 F436 T437 | I296-F433 HydrophobicContact CD1-CZ 4.18Å; I296-F433 HydrophobicContact CG2-CE2 4.47Å; I296-F433 HydrophobicContact CG2-CZ 4.29Å; A347-F433 HydrophobicContact CB-CB 4.25Å; M350-F433 HydrophobicContact CB-CD1 4.35Å; M350-F433 HydrophobicContact CB-CD2 4.2Å; M350-F433 HydrophobicContact CB-CG 4.12Å; M350-F433 HydrophobicContact CE-CE2 4.19Å; M350-F433 HydrophobicContact CE-CZ 4.5Å; M350-F433 HydrophobicContact CG-CD1 4.15Å; M350-F433 HydrophobicContact CG-CD2 3.54Å; M350-F433 HydrophobicContact CG-CE1 4.08Å; M350-F433 HydrophobicContact CG-CE2 3.46Å; M350-F433 VanDerWaalsContact CG-CE2 3.46Å; M350-F433 HydrophobicContact CG-CG 3.9Å; M350-F433 HydrophobicContact CG-CZ 3.74Å; T351-F433 WeakPolarHBondContact OG1-CB 3.36Å; L354-F433 HydrophobicContact CD1-CD2 4.2Å; L354-F433 HydrophobicContact CD1-CE2 4.08Å; I371-F433 HydrophobicContact CD1-CE1 4.28Å; I371-F433 HydrophobicContact CD1-CZ 4.23Å; Y431-F433 PolarHBondContact O-N 2.9Å; F433-I435 VanDerWaalsContact C-N 3.3Å; F433-F436 AromaticContact CD1-CD2 3.9Å; F433-F436 HydrophobicContact CD1-CD2 3.9Å; F433-F436 HydrophobicContact CD1-CE2 4.47Å; F433-F436 HydrophobicContact CE1-CD2 4.41Å; F433-F436 PolarHBondContact O-N 3.24Å; F433-T437 PolarHBondContact O-N 3.24Å; F433-T437 PolarHBondContact O-OG1 2.9Å |
| 434 | V | 95.8 | Very high | 94 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 171.7 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | T351 Y431 V432 F436 T437 I438 | T351-V434 HydrophobicContact CG2-CG2 3.91Å; Y431-V434 HydrophobicContact CD1-CG2 4.31Å; Y431-V434 VanDerWaalsContact O-CB 3.25Å; Y431-V434 WeakPolarHBondContact O-CB 3.42Å; Y431-V434 WeakPolarHBondContact O-CG2 3.48Å; Y431-V434 PolarHBondContact O-N 3.01Å; V432-V434 VanDerWaalsContact C-N 3.26Å; V432-V434 PolarHBondContact O-N 3.46Å; V434-F436 VanDerWaalsContact C-N 3.34Å; V434-F436 PolarHBondContact O-N 3.42Å; V434-T437 WeakPolarHBondContact O-CB 3.47Å; V434-T437 PolarHBondContact O-N 2.93Å; V434-T437 VanDerWaalsContact O-N 3.16Å; V434-I438 HydrophobicContact CG1-CD1 4.13Å; V434-I438 WeakPolarHBondContact O-CG1 3.33Å; V434-I438 PolarHBondContact O-N 3.06Å |
| 435 | I | 95.3 | Very high | 94.3 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 33% | 0.328 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 176.3 | -61.5 | 168.4 | 0 | 0 | 0 | 109.8 | I424 V432 F433 T437 I438 L439 | I424-I435 HydrophobicContact CG2-CD1 3.35Å; V432-I435 WeakPolarHBondContact O-CB 3.37Å; V432-I435 PolarHBondContact O-N 3.27Å; F433-I435 VanDerWaalsContact C-N 3.3Å; I435-T437 VanDerWaalsContact C-N 3.32Å; I435-T437 PolarHBondContact O-N 3.49Å; I435-I438 PolarHBondContact O-N 3.39Å; I435-L439 HydrophobicContact CG2-CD1 4.11Å; I435-L439 WeakPolarHBondContact O-CG 3.22Å; I435-L439 PolarHBondContact O-N 2.76Å; I435-L439 VanDerWaalsContact O-N 3.07Å |
| 436 | F | 94.6 | Very high | 94.7 | Very high | 16 Ų | 16 | 57 Ų | 57 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.3 | -62.7 | -43.6 | 0 | 0 | 0 | 112 | S284 G285 A288 F421 F433 V434 I438 L439 L440 | S284-F436 WeakPolarHBondContact O-CB 3.39Å; G285-F436 VanDerWaalsContact CA-CE1 3.45Å; A288-F436 HydrophobicContact CB-CE2 4.16Å; A288-F436 HydrophobicContact CB-CZ 4.04Å; F421-F436 HydrophobicContact CD2-CE2 4.19Å; F421-F436 AromaticContact CD2-CZ 3.94Å; F421-F436 HydrophobicContact CD2-CZ 3.94Å; F421-F436 AromaticContact CE2-CE2 3.97Å; F421-F436 HydrophobicContact CE2-CE2 3.97Å; F421-F436 HydrophobicContact CE2-CZ 4.2Å; F433-F436 AromaticContact CD1-CD2 3.9Å; F433-F436 HydrophobicContact CD1-CD2 3.9Å; F433-F436 HydrophobicContact CD1-CE2 4.47Å; F433-F436 HydrophobicContact CE1-CD2 4.41Å; F433-F436 PolarHBondContact O-N 3.24Å; V434-F436 VanDerWaalsContact C-N 3.34Å; V434-F436 PolarHBondContact O-N 3.42Å; F436-I438 PolarHBondContact O-N 3.25Å; F436-L439 PolarHBondContact O-N 3.2Å; F436-L440 VanDerWaalsContact O-CB 3.28Å; F436-L440 WeakPolarHBondContact O-CB 3.29Å; F436-L440 WeakPolarHBondContact O-CD1 3.36Å; F436-L440 WeakPolarHBondContact O-CG 3.22Å; F436-L440 PolarHBondContact O-N 2.99Å |
| 437 | T | 97.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 9% | 0.092 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | A344 A347 V348 F433 V434 I435 L439 L440 L441 | A344-T437 HydrophobicContact CB-CG2 4.41Å; A347-T437 WeakPolarHBondContact CB-OG1 3.36Å; V348-T437 HydrophobicContact CG2-CG2 3.67Å; F433-T437 PolarHBondContact O-N 3.24Å; F433-T437 PolarHBondContact O-OG1 2.9Å; V434-T437 WeakPolarHBondContact O-CB 3.47Å; V434-T437 PolarHBondContact O-N 2.93Å; V434-T437 VanDerWaalsContact O-N 3.16Å; I435-T437 VanDerWaalsContact C-N 3.32Å; I435-T437 PolarHBondContact O-N 3.49Å; T437-L439 PolarHBondContact O-N 3.39Å; T437-L440 PolarHBondContact O-N 3.27Å; T437-L441 HydrophobicContact CG2-CD1 4.27Å; T437-L441 WeakPolarHBondContact O-CG 3.39Å; T437-L441 PolarHBondContact O-N 3.08Å |
| 438 | I | 97.8 | Very high | 95.3 | Very high | 111 Ų | 111 | 51.5 Ų | 51.5 | 57% | 0.569 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.1 | -45.8 | 178.3 | -67.2 | 165.9 | 0 | 0 | 0 | 110.6 | V434 I435 F436 L441 F442 | V434-I438 HydrophobicContact CG1-CD1 4.13Å; V434-I438 WeakPolarHBondContact O-CG1 3.33Å; V434-I438 PolarHBondContact O-N 3.06Å; I435-I438 PolarHBondContact O-N 3.39Å; F436-I438 PolarHBondContact O-N 3.25Å; I438-L441 PolarHBondContact O-N 3.05Å; I438-F442 WeakPolarHBondContact O-CB 3.44Å; I438-F442 PolarHBondContact O-N 2.9Å |
| 439 | L | 97.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 178 | -68.9 | 169.8 | 0 | 0 | 0 | 111.7 | L283 I435 F436 T437 L441 F442 F443 | L283-L439 HydrophobicContact CB-CD1 4.36Å; I435-L439 HydrophobicContact CG2-CD1 4.11Å; I435-L439 WeakPolarHBondContact O-CG 3.22Å; I435-L439 PolarHBondContact O-N 2.76Å; I435-L439 VanDerWaalsContact O-N 3.07Å; F436-L439 PolarHBondContact O-N 3.2Å; T437-L439 PolarHBondContact O-N 3.39Å; L439-L441 PolarHBondContact O-N 3.31Å; L439-F442 WeakPolarHBondContact O-CB 3.34Å; L439-F442 PolarHBondContact O-N 3.31Å; L439-F443 HydrophobicContact CB-CD2 4.49Å; L439-F443 HydrophobicContact CB-CE2 4.08Å; L439-F443 WeakPolarHBondContact O-CD2 3.33Å; L439-F443 WeakPolarHBondContact O-CG 3.47Å; L439-F443 PolarHBondContact O-N 3.01Å |
| 440 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 177.6 | -74.5 | 165.1 | 0 | 0 | 0 | 111.7 | L340 M343 A344 F374 F436 T437 F443 F444 | L340-L440 HydrophobicContact CD2-CD2 3.67Å; M343-L440 HydrophobicContact CB-CD1 3.78Å; M343-L440 HydrophobicContact CB-CD2 4.02Å; M343-L440 HydrophobicContact SD-CD2 4.33Å; A344-L440 HydrophobicContact CB-CB 4.02Å; A344-L440 HydrophobicContact CB-CD1 4.32Å; F374-L440 HydrophobicContact CE2-CD1 4.19Å; F436-L440 VanDerWaalsContact O-CB 3.28Å; F436-L440 WeakPolarHBondContact O-CB 3.29Å; F436-L440 WeakPolarHBondContact O-CD1 3.36Å; F436-L440 WeakPolarHBondContact O-CG 3.22Å; F436-L440 PolarHBondContact O-N 2.99Å; T437-L440 PolarHBondContact O-N 3.27Å; L440-F443 PolarHBondContact O-N 3.22Å; L440-F444 WeakPolarHBondContact O-CB 3.21Å; L440-F444 PolarHBondContact O-N 3.13Å |
| 441 | L | 98.1 | Very high | 95.6 | Very high | 73 Ų | 73 | 58.6 Ų | 58.6 | 38% | 0.382 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 175.6 | -69.5 | 177.8 | 0 | 0 | 0 | 112.1 | M341 A344 T437 I438 L439 F444 I445 | M341-L441 HydrophobicContact CE-CD2 4.12Å; M341-L441 HydrophobicContact SD-CD2 4.4Å; A344-L441 HydrophobicContact CB-CD2 4.28Å; T437-L441 HydrophobicContact CG2-CD1 4.27Å; T437-L441 WeakPolarHBondContact O-CG 3.39Å; T437-L441 PolarHBondContact O-N 3.08Å; I438-L441 PolarHBondContact O-N 3.05Å; L439-L441 PolarHBondContact O-N 3.31Å; L441-F444 WeakPolarHBondContact O-CB 3.21Å; L441-F444 PolarHBondContact O-N 3.35Å; L441-I445 VanDerWaalsContact O-CG1 3.31Å; L441-I445 WeakPolarHBondContact O-CG1 3.5Å; L441-I445 PolarHBondContact O-N 3.47Å |
| 442 | F | 98.1 | Very high | 95.3 | Very high | 114 Ų | 114 | 53 Ų | 53 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59 | -48.3 | 172.4 | 167.8 | -96.7 | 0 | 0 | 0 | 111.5 | I438 L439 F444 I445 F446 | I438-F442 WeakPolarHBondContact O-CB 3.44Å; I438-F442 PolarHBondContact O-N 2.9Å; L439-F442 WeakPolarHBondContact O-CB 3.34Å; L439-F442 PolarHBondContact O-N 3.31Å; F442-F444 VanDerWaalsContact C-N 3.3Å; F442-F444 PolarHBondContact O-N 2.79Å; F442-I445 PolarHBondContact O-N 3.28Å; F442-F446 PolarHBondContact O-N 3.13Å |
| 443 | F | 98 | Very high | 95 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -33 | 177 | -64.9 | -52.6 | 0 | 0 | 0 | 112.7 | I276 L279 L283 L340 L439 L440 F446 T447 | I276-F443 HydrophobicContact CG2-CD1 3.78Å; I276-F443 HydrophobicContact CG2-CE1 4.02Å; L279-F443 HydrophobicContact CB-CE1 4.03Å; L279-F443 HydrophobicContact CB-CZ 3.97Å; L283-F443 HydrophobicContact CB-CE2 3.91Å; L283-F443 HydrophobicContact CB-CZ 4.13Å; L283-F443 HydrophobicContact CD1-CZ 4.17Å; L340-F443 HydrophobicContact CD1-CB 3.91Å; L340-F443 HydrophobicContact CD2-CB 4.24Å; L439-F443 HydrophobicContact CB-CD2 4.49Å; L439-F443 HydrophobicContact CB-CE2 4.08Å; L439-F443 WeakPolarHBondContact O-CD2 3.33Å; L439-F443 WeakPolarHBondContact O-CG 3.47Å; L439-F443 PolarHBondContact O-N 3.01Å; L440-F443 PolarHBondContact O-N 3.22Å; F443-F446 PolarHBondContact O-N 2.98Å; F443-T447 VanDerWaalsContact O-CB 3.27Å; F443-T447 WeakPolarHBondContact O-CB 3.39Å; F443-T447 PolarHBondContact O-N 3.13Å; F443-T447 PolarHBondContact O-OG1 3.41Å |
| 444 | F | 97.9 | Very high | 94.5 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 174.5 | -179.9 | -84.3 | 0 | 0 | 0 | 110.4 | L337 L340 M341 L440 L441 F442 F446 T447 Y448 | L337-F444 HydrophobicContact CB-CD2 4.25Å; L337-F444 HydrophobicContact CB-CE2 3.82Å; L337-F444 HydrophobicContact CD2-CD1 4.35Å; L337-F444 HydrophobicContact CD2-CD2 3.63Å; L337-F444 HydrophobicContact CD2-CE1 4.37Å; L337-F444 HydrophobicContact CD2-CE2 3.67Å; L337-F444 HydrophobicContact CD2-CG 3.99Å; L337-F444 HydrophobicContact CD2-CZ 4.05Å; L337-F444 WeakPolarHBondContact CD2-O 3.43Å; L337-F444 HydrophobicContact CG-CE2 4.33Å; L337-F444 WeakPolarHBondContact O-CD2 3.49Å; L337-F444 WeakPolarHBondContact O-CE2 3.43Å; L340-F444 HydrophobicContact CB-CB 4.34Å; L340-F444 HydrophobicContact CB-CD2 4.3Å; L340-F444 HydrophobicContact CD1-CB 4.44Å; M341-F444 HydrophobicContact CB-CD2 4.01Å; M341-F444 HydrophobicContact CB-CE2 3.84Å; M341-F444 HydrophobicContact CE-CD1 3.87Å; M341-F444 HydrophobicContact CE-CD2 3.66Å; M341-F444 HydrophobicContact CE-CE1 3.78Å; M341-F444 HydrophobicContact CE-CE2 3.54Å; M341-F444 HydrophobicContact CE-CG 3.82Å; M341-F444 HydrophobicContact CE-CZ 3.61Å; L440-F444 WeakPolarHBondContact O-CB 3.21Å; L440-F444 PolarHBondContact O-N 3.13Å; L441-F444 WeakPolarHBondContact O-CB 3.21Å; L441-F444 PolarHBondContact O-N 3.35Å; F442-F444 VanDerWaalsContact C-N 3.3Å; F442-F444 PolarHBondContact O-N 2.79Å; F444-F446 VanDerWaalsContact C-N 3.35Å; F444-F446 PolarHBondContact O-N 2.82Å; F444-T447 PolarHBondContact O-N 3.16Å; F444-Y448 WeakPolarHBondContact O-CB 3.37Å; F444-Y448 PolarHBondContact O-N 2.91Å |
| 445 | I | 97.8 | Very high | 93.5 | Very high | 97 Ų | 97 | 56.9 Ų | 56.9 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 176.9 | -69.2 | 167.5 | 0 | 0 | 0 | 110.1 | L441 F442 T447 Y448 F449 | L441-I445 VanDerWaalsContact O-CG1 3.31Å; L441-I445 WeakPolarHBondContact O-CG1 3.5Å; L441-I445 PolarHBondContact O-N 3.47Å; F442-I445 PolarHBondContact O-N 3.28Å; I445-T447 PolarHBondContact O-N 3.32Å; I445-Y448 PolarHBondContact O-N 2.91Å; I445-F449 HydrophobicContact CG2-CD2 3.79Å; I445-F449 HydrophobicContact CG2-CE2 3.92Å; I445-F449 VanDerWaalsContact O-CD2 3.22Å; I445-F449 WeakPolarHBondContact O-CD2 3.49Å; I445-F449 PolarHBondContact O-N 2.88Å |
| 446 | F | 97.1 | Very high | 92.1 | Very high | 31 Ų | 31 | 58 Ų | 58 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 177.2 | -178.5 | -88.6 | 0 | 0 | 0 | 111.7 | I272 I273 I276 F442 F443 F444 Y448 F449 K450 V451 | I272-F446 HydrophobicContact CG2-CZ 4.26Å; I273-F446 HydrophobicContact CG1-CE1 4.28Å; I273-F446 HydrophobicContact CG1-CZ 4.15Å; I276-F446 HydrophobicContact CB-CD1 4.15Å; I276-F446 HydrophobicContact CB-CE1 3.82Å; I276-F446 HydrophobicContact CB-CZ 4.12Å; I276-F446 HydrophobicContact CD1-CD1 4.41Å; I276-F446 HydrophobicContact CD1-CD2 3.8Å; I276-F446 HydrophobicContact CD1-CE1 3.97Å; I276-F446 HydrophobicContact CD1-CE2 3.28Å; I276-F446 HydrophobicContact CD1-CG 4.33Å; I276-F446 HydrophobicContact CD1-CZ 3.39Å; I276-F446 HydrophobicContact CG1-CE1 4.49Å; I276-F446 HydrophobicContact CG1-CZ 4.31Å; I276-F446 HydrophobicContact CG2-CB 4.46Å; I276-F446 HydrophobicContact CG2-CD1 3.4Å; I276-F446 VanDerWaalsContact CG2-CD1 3.4Å; I276-F446 HydrophobicContact CG2-CD2 4.34Å; I276-F446 HydrophobicContact CG2-CE1 3.63Å; I276-F446 HydrophobicContact CG2-CG 3.8Å; I276-F446 HydrophobicContact CG2-CZ 4.2Å; F442-F446 PolarHBondContact O-N 3.13Å; F443-F446 PolarHBondContact O-N 2.98Å; F444-F446 VanDerWaalsContact C-N 3.35Å; F444-F446 PolarHBondContact O-N 2.82Å; F446-Y448 VanDerWaalsContact C-N 3.28Å; F446-Y448 PolarHBondContact O-N 3.32Å; F446-F449 PolarHBondContact O-N 3.41Å; F446-K450 HydrophobicContact CD1-CB 4.31Å; F446-K450 HydrophobicContact CD2-CB 4.2Å; F446-K450 HydrophobicContact CD2-CG 4Å; F446-K450 HydrophobicContact CE1-CB 3.93Å; F446-K450 HydrophobicContact CE2-CB 3.79Å; F446-K450 HydrophobicContact CE2-CG 3.72Å; F446-K450 HydrophobicContact CG-CB 4.44Å; F446-K450 HydrophobicContact CZ-CB 3.64Å; F446-K450 HydrophobicContact CZ-CG 4.1Å; F446-K450 WeakPolarHBondContact O-CB 3.22Å; F446-K450 PolarHBondContact O-N 3.35Å; F446-V451 HydrophobicContact CD1-CG2 4.21Å; F446-V451 HydrophobicContact CE1-CG2 4.04Å |
| 447 | T | 95.5 | Very high | 91 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 179 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | R333 H336 L337 F443 F444 I445 F449 V451 | R333-T447 HydrophobicContact CG-CG2 4.49Å; H336-T447 HydrophobicContact CB-CG2 4.37Å; H336-T447 PolarHBondContact CD2-OG1 3.35Å; L337-T447 HydrophobicContact CD2-CG2 3.71Å; L337-T447 HydrophobicContact CG-CG2 3.79Å; F443-T447 VanDerWaalsContact O-CB 3.27Å; F443-T447 WeakPolarHBondContact O-CB 3.39Å; F443-T447 PolarHBondContact O-N 3.13Å; F443-T447 PolarHBondContact O-OG1 3.41Å; F444-T447 PolarHBondContact O-N 3.16Å; I445-T447 PolarHBondContact O-N 3.32Å; T447-F449 VanDerWaalsContact C-N 3.35Å; T447-F449 PolarHBondContact O-N 3.34Å; T447-V451 HydrophobicContact CG2-CB 4.02Å; T447-V451 HydrophobicContact CG2-CG1 4.45Å; T447-V451 HydrophobicContact CG2-CG2 4.08Å; T447-V451 WeakPolarHBondContact O-CB 3.49Å; T447-V451 PolarHBondContact O-N 2.72Å |
| 448 | Y | 95.2 | Very high | 89.8 | Confident | 121 Ų | 121 | 66.8 Ų | 66.8 | 48% | 0.475 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 179.5 | -174.5 | -97.1 | 0 | 0 | 0 | 111.9 | R333 L337 F444 I445 F446 | R333-Y448 PolarHBondContact NH2-O 3.04Å; L337-Y448 HydrophobicContact CD1-CD2 4.1Å; F444-Y448 WeakPolarHBondContact O-CB 3.37Å; F444-Y448 PolarHBondContact O-N 2.91Å; I445-Y448 PolarHBondContact O-N 2.91Å; F446-Y448 VanDerWaalsContact C-N 3.28Å; F446-Y448 PolarHBondContact O-N 3.32Å |
| 449 | F | 93.1 | Very high | 88.1 | Confident | 150 Ų | 150 | 65.6 Ų | 65.6 | 66% | 0.658 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -95.2 | -30.4 | -175.9 | -71.1 | -66.7 | 0 | 0 | 0 | 115.3 | I445 F446 T447 | I445-F449 HydrophobicContact CG2-CD2 3.79Å; I445-F449 HydrophobicContact CG2-CE2 3.92Å; I445-F449 VanDerWaalsContact O-CD2 3.22Å; I445-F449 WeakPolarHBondContact O-CD2 3.49Å; I445-F449 PolarHBondContact O-N 2.88Å; F446-F449 PolarHBondContact O-N 3.41Å; T447-F449 VanDerWaalsContact C-N 3.35Å; T447-F449 PolarHBondContact O-N 3.34Å |
| 450 | K | 91.3 | Very high | 86.5 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -114.5 | -22.6 | -166.8 | -63.8 | -63.5 | -173.6 | -178.6 | 0 | 114.6 | I273 F446 P452 | I273-K450 VanDerWaalsContact CD1-O 3.23Å; I273-K450 WeakPolarHBondContact CD1-O 3.05Å; F446-K450 HydrophobicContact CD1-CB 4.31Å; F446-K450 HydrophobicContact CD2-CB 4.2Å; F446-K450 HydrophobicContact CD2-CG 4Å; F446-K450 HydrophobicContact CE1-CB 3.93Å; F446-K450 HydrophobicContact CE2-CB 3.79Å; F446-K450 HydrophobicContact CE2-CG 3.72Å; F446-K450 HydrophobicContact CG-CB 4.44Å; F446-K450 HydrophobicContact CZ-CB 3.64Å; F446-K450 HydrophobicContact CZ-CG 4.1Å; F446-K450 WeakPolarHBondContact O-CB 3.22Å; F446-K450 PolarHBondContact O-N 3.35Å; K450-P452 WeakPolarHBondContact O-CD 3.32Å |
| 451 | V | 91.1 | Very high | 85.1 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 118.5 | -176.3 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | I273 L277 R333 I389 F446 T447 | I273-V451 HydrophobicContact CG2-CG2 3.94Å; L277-V451 HydrophobicContact CD1-CG1 4.44Å; L277-V451 HydrophobicContact CD2-CG2 4.08Å; L277-V451 HydrophobicContact CG-CG2 4.42Å; R333-V451 WeakPolarHBondContact CD-O 3.29Å; I389-V451 HydrophobicContact CD1-CG1 4.14Å; F446-V451 HydrophobicContact CD1-CG2 4.21Å; F446-V451 HydrophobicContact CE1-CG2 4.04Å; T447-V451 HydrophobicContact CG2-CB 4.02Å; T447-V451 HydrophobicContact CG2-CG1 4.45Å; T447-V451 HydrophobicContact CG2-CG2 4.08Å; T447-V451 WeakPolarHBondContact O-CB 3.49Å; T447-V451 PolarHBondContact O-N 2.72Å |
| 452 | P | 87.9 | Confident | 83.8 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 156.8 | 175.4 | 32.4 | -35.8 | 0 | 0 | 0 | 110.9 | L393 K450 F466 | L393-P452 HydrophobicContact CD2-CG 4.05Å; K450-P452 WeakPolarHBondContact O-CD 3.32Å; P452-F466 HydrophobicContact CG-CE1 4.35Å; P452-F466 HydrophobicContact CG-CE2 4.32Å; P452-F466 HydrophobicContact CG-CZ 3.68Å |
| 453 | E | 86.4 | Confident | 82.3 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 128.9 | 163.7 | -177.8 | 56 | -112 | 0 | 0 | 108.9 | R332 R333 R455 R457 | R332-E453 PolarHBondContact N-OE1 2.94Å; R332-E453 PolarHBondContact N-OE2 2.87Å; R333-E453 WeakPolarHBondContact CB-OE2 3.37Å; R333-E453 PolarHBondContact N-OE2 3.46Å; E453-R455 HydrophobicContact CG-CB 4.24Å; E453-R455 WeakPolarHBondContact OE1-CB 3.37Å; E453-R455 PolarHBondContact OE1-N 3.18Å; E453-R457 WeakPolarHBondContact O-CD 3.48Å; E453-R457 PolarHBondContact O-NE 2.96Å |
| 454 | T | 80.1 | Confident | 80.8 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | trans | -104.3 | -15.6 | -177.1 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | E392 L393 G456 R457 I462 | E392-T454 HydrophobicContact CB-CG2 4.26Å; E392-T454 WeakPolarHBondContact OE2-CB 3.39Å; E392-T454 PolarHBondContact OE2-OG1 2.93Å; L393-T454 HydrophobicContact CD2-CG2 4.4Å; T454-G456 PolarHBondContact O-N 3.29Å; T454-R457 PolarHBondContact O-N 2.85Å; T454-I462 HydrophobicContact CG2-CD1 3.95Å | ||
| 455 | R | 76.3 | Confident | 79.5 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 125.2 | -178.2 | 179.7 | 178 | 174.5 | -157.5 | 5 | 112.1 | E328 R329 E453 R457 | E328-R455 PolarHBondContact O-NE 3.46Å; E328-R455 PolarHBondContact O-NH2 2.97Å; R329-R455 VanDerWaalsContact O-CZ 3.23Å; R329-R455 PolarHBondContact O-NH1 3.38Å; R329-R455 PolarHBondContact O-NH2 3.4Å; R329-R455 VanDerWaalsContact O-NH2 3.15Å; E453-R455 HydrophobicContact CG-CB 4.24Å; E453-R455 WeakPolarHBondContact OE1-CB 3.37Å; E453-R455 PolarHBondContact OE1-N 3.18Å; R455-R457 PolarHBondContact O-N 2.79Å |
| 456 | G | 66.3 | Low | 78.3 | Confident | 87 Ų | 87 | 62.6 Ų | 62.6 | 90% | 0.897 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 12.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T454 | T454-G456 PolarHBondContact O-N 3.29Š|
| 457 | R | 71.4 | Confident | 76.8 | Confident | 141 Ų | 141 | 68 Ų | 68 | 53% | 0.532 | 35% | 0.35 | S | S | . | . | trans | -105 | 147.3 | 178.3 | -62.3 | -171 | -178.9 | -172.1 | -5.8 | 111 | E453 T454 R455 D461 I462 | E453-R457 WeakPolarHBondContact O-CD 3.48Å; E453-R457 PolarHBondContact O-NE 2.96Å; T454-R457 PolarHBondContact O-N 2.85Å; R455-R457 PolarHBondContact O-N 2.79Å; R457-D461 HydrophobicContact CB-CB 4.4Å; R457-I462 HydrophobicContact CB-CD1 4.22Å; R457-I462 HydrophobicContact CB-CG1 3.97Å | ||
| 458 | T | 71.8 | Confident | 75.1 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 46% | 0.46 | 38% | 0.384 | S | S | . | . | trans | -79.9 | 162.6 | 173.2 | 71.5 | 0 | 0 | 0 | 0 | 111 | D460 D461 I462 | T458-D460 PolarHBondContact O-N 2.92Å; T458-D461 WeakPolarHBondContact CB-OD2 3.19Å; T458-D461 PolarHBondContact N-OD2 2.73Å; T458-D461 PolarHBondContact O-N 3.19Å; T458-D461 PolarHBondContact OG1-N 3.3Å; T458-D461 PolarHBondContact OG1-OD2 3.45Å; T458-I462 WeakPolarHBondContact O-CG1 3.14Å; T458-I462 PolarHBondContact O-N 2.98Å; T458-I462 VanDerWaalsContact O-N 3.13Å | ||
| 459 | F | 61.6 | Low | 73.4 | Confident | 87 Ų | 87 | 74 Ų | 74 | 38% | 0.382 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.1 | -39.3 | 174.6 | -64.6 | -66.8 | 0 | 0 | 0 | 112 | A391 E392 F394 R399 I462 A463 | A391-F459 VanDerWaalsContact O-CE1 3.27Å; A391-F459 WeakPolarHBondContact O-CE1 3.41Å; E392-F459 VanDerWaalsContact O-CD1 3.23Å; E392-F459 WeakPolarHBondContact O-CD1 3.23Å; E392-F459 WeakPolarHBondContact O-CE1 3.44Å; F394-F459 WeakPolarHBondContact O-CE1 3.18Å; R399-F459 VanDerWaalsContact NH2-CE1 3.31Å; F459-I462 PolarHBondContact O-N 2.62Å; F459-A463 WeakPolarHBondContact O-CB 3.4Å; F459-A463 PolarHBondContact O-N 2.69Å |
| 460 | D | 63.1 | Low | 71.5 | Confident | 113 Ų | 113 | 70.5 Ų | 70.5 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.7 | -38.6 | -179.2 | -68.4 | -37.2 | 0 | 0 | 0 | 111.5 | T458 I462 A463 A464 | T458-D460 PolarHBondContact O-N 2.92Å; D460-I462 PolarHBondContact O-N 3.27Å; D460-A463 PolarHBondContact O-N 3.01Å; D460-A464 VanDerWaalsContact O-CB 3.22Å; D460-A464 WeakPolarHBondContact O-CB 3.38Å; D460-A464 PolarHBondContact O-N 2.63Å |
| 461 | D | 69 | Low | 69.4 | Low | 88 Ų | 88 | 67 Ų | 67 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 174.8 | -59 | -38.4 | 0 | 0 | 0 | 111.6 | R457 T458 A464 G465 | R457-D461 HydrophobicContact CB-CB 4.4Å; T458-D461 WeakPolarHBondContact CB-OD2 3.19Å; T458-D461 PolarHBondContact N-OD2 2.73Å; T458-D461 PolarHBondContact O-N 3.19Å; T458-D461 PolarHBondContact OG1-N 3.3Å; T458-D461 PolarHBondContact OG1-OD2 3.45Å; D461-A464 PolarHBondContact O-N 3Å; D461-G465 PolarHBondContact O-N 3.3Å |
| 462 | I | 70.6 | Confident | 67 | Low | 10 Ų | 10 | 69.8 Ų | 69.8 | 5% | 0.051 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 178.5 | -66.2 | 165.7 | 0 | 0 | 0 | 109.9 | E392 L393 T454 R457 T458 F459 D460 A464 G465 F466 | E392-I462 WeakPolarHBondContact O-CD1 3.44Å; L393-I462 HydrophobicContact CD2-CG2 4Å; T454-I462 HydrophobicContact CG2-CD1 3.95Å; R457-I462 HydrophobicContact CB-CD1 4.22Å; R457-I462 HydrophobicContact CB-CG1 3.97Å; T458-I462 WeakPolarHBondContact O-CG1 3.14Å; T458-I462 PolarHBondContact O-N 2.98Å; T458-I462 VanDerWaalsContact O-N 3.13Å; F459-I462 PolarHBondContact O-N 2.62Å; D460-I462 PolarHBondContact O-N 3.27Å; I462-A464 VanDerWaalsContact C-N 3.33Å; I462-A464 PolarHBondContact O-N 3.36Å; I462-G465 PolarHBondContact O-N 2.71Å; I462-F466 HydrophobicContact CG2-CD2 4Å; I462-F466 HydrophobicContact CG2-CE2 3.52Å; I462-F466 WeakPolarHBondContact O-CD2 3.46Å; I462-F466 PolarHBondContact O-N 3.32Å; I462-F466 VanDerWaalsContact O-N 3.16Å |
| 463 | A | 66.1 | Low | 64.6 | Low | 28 Ų | 28 | 72.2 Ų | 72.2 | 23% | 0.231 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F459 D460 F466 R467 | F459-A463 WeakPolarHBondContact O-CB 3.4Å; F459-A463 PolarHBondContact O-N 2.69Å; D460-A463 PolarHBondContact O-N 3.01Å; A463-F466 PolarHBondContact O-N 2.95Å; A463-R467 WeakPolarHBondContact O-CG 3.48Å; A463-R467 PolarHBondContact O-N 3.1Å |
| 464 | A | 66.8 | Low | 62.3 | Low | 42 Ų | 42 | 74.5 Ų | 74.5 | 35% | 0.347 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D460 D461 I462 F466 R467 Q468 | D460-A464 VanDerWaalsContact O-CB 3.22Å; D460-A464 WeakPolarHBondContact O-CB 3.38Å; D460-A464 PolarHBondContact O-N 2.63Å; D461-A464 PolarHBondContact O-N 3Å; I462-A464 VanDerWaalsContact C-N 3.33Å; I462-A464 PolarHBondContact O-N 3.36Å; A464-F466 VanDerWaalsContact C-N 3.34Å; A464-F466 PolarHBondContact O-N 3.07Å; A464-R467 PolarHBondContact O-N 3.42Å; A464-R467 VanDerWaalsContact O-N 3.14Å; A464-Q468 PolarHBondContact O-N 3.25Å |
| 465 | G | 71.7 | Confident | 60.3 | Low | 31 Ų | 31 | 82.4 Ų | 82.4 | 32% | 0.32 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D461 I462 T469 | D461-G465 PolarHBondContact O-N 3.3Å; I462-G465 PolarHBondContact O-N 2.71Å; G465-T469 PolarHBondContact O-N 3.47Å; G465-T469 VanDerWaalsContact O-N 3.16Å; G465-T469 PolarHBondContact O-OG1 3.02Å |
| 466 | F | 72.9 | Confident | 58.2 | Low | 16 Ų | 16 | 87.2 Ų | 87.2 | 7% | 0.07 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -67 | -37.7 | 173.2 | -70.8 | -59 | 0 | 0 | 0 | 112.6 | Q269 P270 I273 L393 P452 I462 A463 A464 T469 A470 | Q269-F466 HydrophobicContact CB-CD1 4.25Å; Q269-F466 VanDerWaalsContact CD-CD1 3.42Å; Q269-F466 HydrophobicContact CG-CD1 3.75Å; Q269-F466 HydrophobicContact CG-CE1 3.77Å; P270-F466 HydrophobicContact CB-CE2 4.45Å; P270-F466 HydrophobicContact CG-CD2 3.79Å; P270-F466 HydrophobicContact CG-CE2 3.82Å; P270-F466 HydrophobicContact CG-CG 4.23Å; P270-F466 HydrophobicContact CG-CZ 4.29Å; I273-F466 HydrophobicContact CD1-CE1 3.5Å; I273-F466 VanDerWaalsContact CD1-CE1 3.5Å; I273-F466 HydrophobicContact CD1-CZ 3.58Å; L393-F466 HydrophobicContact CD2-CE2 3.75Å; L393-F466 HydrophobicContact CD2-CZ 3.81Å; P452-F466 HydrophobicContact CG-CE1 4.35Å; P452-F466 HydrophobicContact CG-CE2 4.32Å; P452-F466 HydrophobicContact CG-CZ 3.68Å; I462-F466 HydrophobicContact CG2-CD2 4Å; I462-F466 HydrophobicContact CG2-CE2 3.52Å; I462-F466 WeakPolarHBondContact O-CD2 3.46Å; I462-F466 PolarHBondContact O-N 3.32Å; I462-F466 VanDerWaalsContact O-N 3.16Å; A463-F466 PolarHBondContact O-N 2.95Å; A464-F466 VanDerWaalsContact C-N 3.34Å; A464-F466 PolarHBondContact O-N 3.07Å; F466-T469 PolarHBondContact O-N 3.42Å; F466-A470 WeakPolarHBondContact O-CB 3.23Å; F466-A470 PolarHBondContact O-N 2.87Å |
| 467 | R | 64.4 | Low | 56.6 | Low | 145 Ų | 145 | 90.1 Ų | 90.1 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 176 | -76.7 | -176.1 | -108 | -167.9 | -2.8 | 112.8 | L266 A463 A464 T469 A470 G471 | L266-R467 HydrophobicContact CD1-CG 3.88Å; A463-R467 WeakPolarHBondContact O-CG 3.48Å; A463-R467 PolarHBondContact O-N 3.1Å; A464-R467 PolarHBondContact O-N 3.42Å; A464-R467 VanDerWaalsContact O-N 3.14Å; R467-T469 VanDerWaalsContact C-N 3.31Å; R467-T469 PolarHBondContact O-N 2.93Å; R467-A470 PolarHBondContact O-N 3.22Å; R467-G471 PolarHBondContact O-N 3.04Å |
| 468 | Q | 60.4 | Low | 54.7 | Low | 155 Ų | 155 | 86.3 Ų | 86.3 | 72% | 0.724 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -37.4 | 174.5 | -77 | 179.2 | -8.7 | 0 | 0 | 112.1 | A464 G471 G472 | A464-Q468 PolarHBondContact O-N 3.25Å; Q468-G471 PolarHBondContact O-N 2.83Å; Q468-G472 PolarHBondContact O-N 3.45Å |
| 469 | T | 58.9 | Low | 53.2 | Low | 94 Ų | 94 | 88.1 Ų | 88.1 | 58% | 0.577 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71 | -34.4 | 177.5 | -47.6 | 0 | 0 | 0 | 0 | 112.1 | G465 F466 R467 | G465-T469 PolarHBondContact O-N 3.47Å; G465-T469 VanDerWaalsContact O-N 3.16Å; G465-T469 PolarHBondContact O-OG1 3.02Å; F466-T469 PolarHBondContact O-N 3.42Å; R467-T469 VanDerWaalsContact C-N 3.31Å; R467-T469 PolarHBondContact O-N 2.93Å |
| 470 | A | 53.7 | Low | 52 | Low | 76 Ų | 76 | 91.9 Ų | 91.9 | 63% | 0.628 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -76.7 | -30.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F466 R467 | F466-A470 WeakPolarHBondContact O-CB 3.23Å; F466-A470 PolarHBondContact O-N 2.87Å; R467-A470 PolarHBondContact O-N 3.22Å |
| 471 | G | 46.8 | Very low | 50.9 | Low | 38 Ų | 38 | 91.9 Ų | 91.9 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -88.1 | -18.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R467 Q468 G473 A474 | R467-G471 PolarHBondContact O-N 3.04Å; Q468-G471 PolarHBondContact O-N 2.83Å; G471-G473 PolarHBondContact O-N 3.14Å; G471-A474 PolarHBondContact O-N 3.16Å |
| 472 | G | 39.8 | Very low | 49.5 | Very low | 61 Ų | 61 | 94.6 Ų | 94.6 | 63% | 0.629 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -1.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q468 | Q468-G472 PolarHBondContact O-N 3.45Š|
| 473 | G | 37.8 | Very low | 48 | Very low | 80 Ų | 80 | 101.4 Ų | 101.4 | 83% | 0.825 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -7.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G471 | G471-G473 PolarHBondContact O-N 3.14Š|
| 474 | A | 39.7 | Very low | 46.6 | Very low | 87 Ų | 87 | 104.4 Ų | 104.4 | 72% | 0.719 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | -12.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | G471 | G471-A474 PolarHBondContact O-N 3.16Š|
| 475 | E | 36.8 | Very low | 45.4 | Very low | 172 Ų | 172 | 110.1 Ų | 110.1 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | trans | -138.8 | 94 | 178.4 | -76.5 | -178.4 | 163.7 | 0 | 0 | 112.2 | ||||
| 476 | K | 32.8 | Very low | 43.8 | Very low | 206 Ų | 206 | 112.2 Ų | 112.2 | 90% | 0.896 | 66% | 0.657 | S | S | * | * | trans | -92.6 | 81.5 | 148.6 | -92.7 | -174.4 | 172.9 | -178.2 | 0 | 107.3 | ||||
| 477 | H | 33.1 | Very low | 42.2 | Very low | 147 Ų | 147 | 115.6 Ų | 115.6 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | trans | -139.3 | 129.2 | 154.1 | -82.7 | -69.4 | 0 | 0 | 0 | 109.2 | E481 | H477-E481 IonicContact CE1-OE2 3.94Å; H477-E481 IonicContact ND1-OE2 2.81Å; H477-E481 PolarHBondContact ND1-OE2 3.2Å | ||
| 478 | S | 31.4 | Very low | 41.2 | Very low | 62 Ų | 62 | 116.7 Ų | 116.7 | 43% | 0.434 | 71% | 0.705 | S | S | . | * | trans | -68.9 | 147.4 | 177.7 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | E480 E481 | S478-E480 PolarHBondContact O-N 3.4Å; S478-E481 PolarHBondContact O-N 2.91Å | ||
| 479 | P | 39.4 | Very low | 40 | Very low | 113 Ų | 113 | 115 Ų | 115 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -2.7 | 175.6 | -18.9 | 31.1 | 0 | 0 | 0 | 115.2 | ||
| 480 | E | 37.8 | Very low | 38.9 | Very low | 165 Ų | 165 | 119.6 Ų | 119.6 | 77% | 0.771 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -14.6 | -178.9 | -74.5 | 178.3 | 153.8 | 0 | 0 | 114.3 | S478 | S478-E480 PolarHBondContact O-N 3.4Š|
| 481 | E | 38.7 | Very low | 38 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 53% | 0.528 | 76% | 0.758 | S | S | . | * | S | Bend | trans | -91.7 | -10.9 | -177.5 | -73 | -178.5 | 151.5 | 0 | 0 | 114.6 | H477 S478 S484 | H477-E481 IonicContact CE1-OE2 3.94Å; H477-E481 IonicContact ND1-OE2 2.81Å; H477-E481 PolarHBondContact ND1-OE2 3.2Å; S478-E481 PolarHBondContact O-N 2.91Å; E481-S484 PolarHBondContact O-OG 3.18Å |
| 482 | L | 39.6 | Very low | 37.6 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -10.7 | 179.9 | -101 | 131.1 | 0 | 0 | 0 | 114.2 | ||
| 483 | N | 38.7 | Very low | 37.5 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -1.3 | 179.4 | -79.7 | -19.8 | 0 | 0 | 0 | 114.2 | ||
| 484 | S | 36.9 | Very low | 37.5 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -104.2 | 5.1 | -178.9 | 61.5 | 0 | 0 | 0 | 0 | 115.1 | E481 | E481-S484 PolarHBondContact O-OG 3.18Š|
| 485 | L | 41.4 | Very low | 37.3 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -117.2 | 10.3 | -178 | -76.3 | 163.6 | 0 | 0 | 0 | 114.2 | ||
| 486 | G | 38.8 | Very low | 37.4 | Very low | 76 Ų | 76 | 140.5 Ų | 140.5 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -105.9 | 3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 487 | A | 39.3 | Very low | 37.7 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -134.5 | 75.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 488 | D | 43.2 | Very low | 38 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -178.2 | 78.6 | 150.3 | -90.3 | -17.8 | 0 | 0 | 0 | 109.7 | ||||
| 489 | S | 35.3 | Very low | 38.5 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -166.5 | 71.5 | 156 | 58.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 490 | Q | 36.4 | Very low | 38.4 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -121.1 | 103.8 | 149 | -80.2 | -166.9 | -8.8 | 0 | 0 | 107.3 | ||||
| 491 | L | 34.9 | Very low | 38.5 | Very low | 250 Ų | 250 | 141.4 Ų | 141.4 | 100% | 1.309 | 82% | 0.82 | S | S | * | * | trans | -171.3 | 0 | 142.3 | -99.8 | 164.8 | 0 | 0 | 0 | 109.1 |
Retrieved 491 of 491 residues in 945.7 ms
(Link to these results)