| 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 | 36.8 | Very low | 61.4 | Low | 243 Ų | 243 | 108.5 Ų | 108.5 | 100% | 1.197 | 59% | 0.586 | S | S | * | * | 0 | 107.1 | 0 | -86.4 | 174.5 | 166.8 | 0 | 0 | 106.9 | |||||
| 2 | E | 27.9 | Very low | 64 | Low | 183 Ų | 183 | 99.5 Ų | 99.5 | 86% | 0.855 | 54% | 0.538 | S | S | * | . | trans | -55.8 | 140.4 | 175.5 | -71.7 | 177.4 | 141.3 | 0 | 0 | 109.9 | S4 | E2-S4 PolarHBondContact O-N 2.95Š| ||
| 3 | P | 38.8 | Very low | 66.4 | Low | 124 Ų | 124 | 99.9 Ų | 99.9 | 81% | 0.805 | 54% | 0.536 | S | S | * | . | trans | -63.1 | 108.9 | 171.6 | 27.3 | -30.2 | 0 | 0 | 0 | 106.4 | S5 | P3-S5 PolarHBondContact O-N 3.2Š| ||
| 4 | S | 42.6 | Very low | 68.5 | Low | 88 Ų | 88 | 98.3 Ų | 98.3 | 62% | 0.615 | 53% | 0.527 | S | S | * | . | trans | -52.7 | 109.7 | 175.1 | 67.1 | 0 | 0 | 0 | 0 | 107.1 | E2 K6 | E2-S4 PolarHBondContact O-N 2.95Å; S4-K6 PolarHBondContact O-N 3.28Å | ||
| 5 | S | 47.5 | Very low | 70.3 | Confident | 74 Ų | 74 | 91.7 Ų | 91.7 | 52% | 0.517 | 49% | 0.492 | S | S | . | . | trans | -49 | 113.6 | 177.2 | 62.8 | 0 | 0 | 0 | 0 | 106.5 | P3 K7 | P3-S5 PolarHBondContact O-N 3.2Å; S5-K7 WeakPolarHBondContact O-CG 3.48Å; S5-K7 PolarHBondContact O-N 2.96Å; S5-K7 VanDerWaalsContact OG-CE 3.24Å; S5-K7 WeakPolarHBondContact OG-CE 3.33Å; S5-K7 VanDerWaalsContact OG-CG 3.3Å; S5-K7 WeakPolarHBondContact OG-CG 3.44Å | ||
| 6 | K | 57.7 | Low | 71.9 | Confident | 81 Ų | 81 | 86.3 Ų | 86.3 | 35% | 0.352 | 46% | 0.462 | S | S | . | . | trans | -66.7 | 90.9 | 176.2 | -69.8 | -167.7 | -177.6 | -165.1 | 0 | 106.1 | S4 P149 D240 | S4-K6 PolarHBondContact O-N 3.28Å; K6-P149 HydrophobicContact CB-CB 4.4Å; K6-P149 HydrophobicContact CD-CB 3.93Å; K6-D240 IonicContact NZ-OD1 3.22Å; K6-D240 PolarHBondContact NZ-OD1 3.03Å | ||
| 7 | K | 67.6 | Low | 73.2 | Confident | 146 Ų | 146 | 83.5 Ų | 83.5 | 64% | 0.635 | 46% | 0.46 | S | S | * | . | trans | -71.4 | 139 | -170 | -66.2 | -173.6 | -178.5 | 179.4 | 0 | 110 | S5 T9 | S5-K7 WeakPolarHBondContact O-CG 3.48Å; S5-K7 PolarHBondContact O-N 2.96Å; S5-K7 VanDerWaalsContact OG-CE 3.24Å; S5-K7 WeakPolarHBondContact OG-CE 3.33Å; S5-K7 VanDerWaalsContact OG-CG 3.3Å; S5-K7 WeakPolarHBondContact OG-CG 3.44Å; K7-T9 PolarHBondContact O-N 3.18Å | ||
| 8 | L | 80.9 | Confident | 74.5 | Confident | 88 Ų | 88 | 79 Ų | 79 | 46% | 0.461 | 44% | 0.435 | S | S | . | . | trans | -68.5 | 110.7 | 168.7 | -168.9 | 76.8 | 0 | 0 | 0 | 108.1 | L12 M13 L152 L156 | L8-L12 HydrophobicContact CD1-CD2 3.99Å; L8-L12 HydrophobicContact CD1-CG 4.43Å; L8-M13 HydrophobicContact CD1-CG 4.31Å; L8-M13 HydrophobicContact CD2-CG 3.74Å; L8-M13 HydrophobicContact CD2-SD 3.6Å; L8-M13 VanDerWaalsContact CD2-SD 3.6Å; L8-M13 HydrophobicContact CG-CG 3.78Å; L8-M13 HydrophobicContact CG-SD 4.16Å; L8-L152 HydrophobicContact CD1-CD1 4.5Å; L8-L156 HydrophobicContact CD1-CD1 4.49Å; L8-L156 HydrophobicContact CD1-CD2 4.35Å | ||
| 9 | T | 91.3 | Very high | 75.6 | Confident | 22 Ų | 22 | 74.8 Ų | 74.8 | 14% | 0.135 | 41% | 0.412 | C | S | . | . | trans | -88.5 | 152.7 | 179.3 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | K7 R11 L12 M13 L231 | K7-T9 PolarHBondContact O-N 3.18Å; T9-R11 PolarHBondContact O-N 3.31Å; T9-L12 PolarHBondContact O-N 3.44Å; T9-L12 WeakPolarHBondContact OG1-CB 3.44Å; T9-L12 PolarHBondContact OG1-N 3.4Å; T9-L12 VanDerWaalsContact OG1-N 3.09Å; T9-M13 PolarHBondContact O-N 3.1Å; T9-L231 VanDerWaalsContact CG2-O 3.29Å; T9-L231 WeakPolarHBondContact CG2-O 3.3Å; T9-L231 PolarHBondContact OG1-O 3.01Å | ||
| 10 | G | 91 | Very high | 76.6 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -54.8 | -35 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M13 L14 | G10-M13 PolarHBondContact O-N 2.88Å; G10-L14 PolarHBondContact O-N 3.24Å |
| 11 | R | 93.1 | Very high | 77.6 | Confident | 93 Ų | 93 | 70.2 Ų | 70.2 | 35% | 0.351 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 177.2 | -165.8 | -179.9 | -173.2 | 125.1 | 8.2 | 113 | T9 L14 A15 L231 | T9-R11 PolarHBondContact O-N 3.31Å; R11-L14 PolarHBondContact O-N 3.18Å; R11-A15 WeakPolarHBondContact O-CB 3.34Å; R11-A15 PolarHBondContact O-N 2.99Å; R11-L231 HydrophobicContact CG-CD2 4.49Å |
| 12 | L | 93.4 | Very high | 80.4 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | 174 | 178.4 | 60.3 | 0 | 0 | 0 | 110.6 | L8 T9 L14 A15 V16 V147 P149 L156 L231 | L8-L12 HydrophobicContact CD1-CD2 3.99Å; L8-L12 HydrophobicContact CD1-CG 4.43Å; T9-L12 PolarHBondContact O-N 3.44Å; T9-L12 WeakPolarHBondContact OG1-CB 3.44Å; T9-L12 PolarHBondContact OG1-N 3.4Å; T9-L12 VanDerWaalsContact OG1-N 3.09Å; L12-L14 PolarHBondContact O-N 3.37Å; L12-A15 PolarHBondContact O-N 3.31Å; L12-V16 HydrophobicContact CD1-CG2 4.05Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 2.67Å; L12-V147 HydrophobicContact CD1-CG2 4.03Å; L12-P149 HydrophobicContact CD2-CG 4.1Å; L12-L156 HydrophobicContact CD2-CD1 4.11Å; L12-L156 HydrophobicContact CG-CD1 4.41Å; L12-L231 HydrophobicContact CB-CD2 4.36Å; L12-L231 HydrophobicContact CD1-CD2 4.28Å |
| 13 | M | 94.4 | Very high | 83.6 | Confident | 105 Ų | 105 | 50 Ų | 50 | 52% | 0.517 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 174.6 | -66.7 | -170 | -70 | 0 | 0 | 111.9 | L8 T9 G10 A15 V16 G17 | L8-M13 HydrophobicContact CD1-CG 4.31Å; L8-M13 HydrophobicContact CD2-CG 3.74Å; L8-M13 HydrophobicContact CD2-SD 3.6Å; L8-M13 VanDerWaalsContact CD2-SD 3.6Å; L8-M13 HydrophobicContact CG-CG 3.78Å; L8-M13 HydrophobicContact CG-SD 4.16Å; T9-M13 PolarHBondContact O-N 3.1Å; G10-M13 PolarHBondContact O-N 2.88Å; M13-A15 PolarHBondContact O-N 2.84Å; M13-V16 PolarHBondContact O-N 3.45Å; M13-G17 WeakPolarHBondContact O-CA 3.23Å; M13-G17 PolarHBondContact O-N 2.99Å |
| 14 | L | 96.3 | Very high | 86.4 | Confident | 77 Ų | 77 | 46 Ų | 46 | 40% | 0.403 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 175.2 | -176.2 | 68.6 | 0 | 0 | 0 | 111.9 | G10 R11 L12 G18 V203 F206 | G10-L14 PolarHBondContact O-N 3.24Å; R11-L14 PolarHBondContact O-N 3.18Å; L12-L14 PolarHBondContact O-N 3.37Å; L14-G18 PolarHBondContact O-N 3.44Å; L14-V203 HydrophobicContact CD1-CG1 3.8Å; L14-V203 HydrophobicContact CG-CG1 4.23Å; L14-F206 HydrophobicContact CD2-CB 4.42Å |
| 15 | A | 95.8 | Very high | 89 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -49.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R11 L12 M13 A19 Y143 P208 L231 | R11-A15 WeakPolarHBondContact O-CB 3.34Å; R11-A15 PolarHBondContact O-N 2.99Å; L12-A15 PolarHBondContact O-N 3.31Å; M13-A15 PolarHBondContact O-N 2.84Å; A15-A19 PolarHBondContact O-N 2.98Å; A15-A19 VanDerWaalsContact O-N 3.16Å; A15-Y143 HydrophobicContact CB-CE1 4.25Å; A15-P208 HydrophobicContact CB-CG 4.32Å; A15-L231 HydrophobicContact CB-CD2 4.45Å |
| 16 | V | 94.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.1 | -44.3 | 180 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | L12 M13 G18 A19 V20 V144 V147 L156 L159 | L12-V16 HydrophobicContact CD1-CG2 4.05Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 2.67Å; M13-V16 PolarHBondContact O-N 3.45Å; V16-G18 PolarHBondContact O-N 3.12Å; V16-A19 PolarHBondContact O-N 3.48Å; V16-A19 VanDerWaalsContact O-N 3.09Å; V16-V20 HydrophobicContact CG1-CG2 4.09Å; V16-V20 VanDerWaalsContact O-CG2 3.28Å; V16-V20 WeakPolarHBondContact O-CG2 3.46Å; V16-V20 PolarHBondContact O-N 3.38Å; V16-V144 HydrophobicContact CG1-CG1 4.34Å; V16-V144 HydrophobicContact CG1-CG2 4.17Å; V16-V144 HydrophobicContact CG2-CG1 4.39Å; V16-V147 HydrophobicContact CG2-CG2 4.2Å; V16-L156 HydrophobicContact CG2-CD1 4.47Å; V16-L159 HydrophobicContact CG1-CD1 3.6Å |
| 17 | G | 94.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 35.8 Ų | 35.8 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M13 A19 V20 L21 | M13-G17 WeakPolarHBondContact O-CA 3.23Å; M13-G17 PolarHBondContact O-N 2.99Å; G17-A19 PolarHBondContact O-N 2.95Å; G17-V20 PolarHBondContact O-N 3.12Å; G17-L21 PolarHBondContact O-N 3.45Å |
| 18 | G | 96.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -31.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L14 V16 Q200 | L14-G18 PolarHBondContact O-N 3.44Å; V16-G18 PolarHBondContact O-N 3.12Å; G18-Q200 PolarHBondContact O-NE2 3.24Å |
| 19 | A | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -75.2 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A15 V16 G17 L21 G22 M96 V140 Y143 V144 | A15-A19 PolarHBondContact O-N 2.98Å; A15-A19 VanDerWaalsContact O-N 3.16Å; V16-A19 PolarHBondContact O-N 3.48Å; V16-A19 VanDerWaalsContact O-N 3.09Å; G17-A19 PolarHBondContact O-N 2.95Å; A19-L21 PolarHBondContact O-N 3.19Å; A19-G22 PolarHBondContact O-N 3.4Å; A19-M96 VanDerWaalsContact CA-CE 3.41Å; A19-M96 HydrophobicContact CB-CE 3.6Å; A19-V140 HydrophobicContact CB-CG1 4.22Å; A19-V140 VanDerWaalsContact O-CG2 3.24Å; A19-V140 WeakPolarHBondContact O-CG2 3.39Å; A19-Y143 HydrophobicContact CB-CD1 3.65Å; A19-Y143 HydrophobicContact CB-CE1 4.1Å; A19-V144 HydrophobicContact CB-CG2 4.16Å |
| 20 | V | 95.8 | Very high | 95.5 | Very high | 24 Ų | 24 | 24.4 Ų | 24.4 | 15% | 0.145 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.2 | -18.3 | -177.7 | 172.9 | 0 | 0 | 0 | 0 | 112.7 | V16 G17 G22 S23 L24 L159 | V16-V20 HydrophobicContact CG1-CG2 4.09Å; V16-V20 VanDerWaalsContact O-CG2 3.28Å; V16-V20 WeakPolarHBondContact O-CG2 3.46Å; V16-V20 PolarHBondContact O-N 3.38Å; G17-V20 PolarHBondContact O-N 3.12Å; V20-G22 PolarHBondContact O-N 3.09Å; V20-S23 WeakPolarHBondContact O-CA 3.46Å; V20-S23 VanDerWaalsContact O-CB 3.26Å; V20-S23 WeakPolarHBondContact O-CB 3.31Å; V20-S23 PolarHBondContact O-N 3.11Å; V20-S23 PolarHBondContact O-OG 3.21Å; V20-L24 PolarHBondContact O-N 2.84Å; V20-L159 WeakPolarHBondContact CG1-O 3.25Å; V20-L159 HydrophobicContact CG2-CB 3.84Å |
| 21 | L | 97.1 | Very high | 95.6 | Very high | 29 Ų | 29 | 22 Ų | 22 | 15% | 0.152 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54 | -33.4 | 167.5 | -70.6 | 174.3 | 0 | 0 | 0 | 112.8 | G17 A19 L24 Q25 L199 Q200 | G17-L21 PolarHBondContact O-N 3.45Å; A19-L21 PolarHBondContact O-N 3.19Å; L21-L24 PolarHBondContact O-N 3.32Å; L21-Q25 PolarHBondContact O-N 3.24Å; L21-L199 HydrophobicContact CD1-CB 4.33Å; L21-L199 HydrophobicContact CD1-CD2 3.99Å; L21-L199 HydrophobicContact CD1-CG 3.89Å; L21-L199 HydrophobicContact CD2-CD2 4.08Å; L21-Q200 HydrophobicContact CB-CB 4.25Å; L21-Q200 HydrophobicContact CB-CG 4.43Å; L21-Q200 HydrophobicContact CD1-CB 3.88Å; L21-Q200 HydrophobicContact CD1-CG 4.43Å |
| 22 | G | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.3 | -42.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A19 V20 L24 Q25 F26 T136 | A19-G22 PolarHBondContact O-N 3.4Å; V20-G22 PolarHBondContact O-N 3.09Å; G22-L24 VanDerWaalsContact C-N 3.3Å; G22-L24 PolarHBondContact O-N 3.22Å; G22-Q25 PolarHBondContact O-N 3.46Å; G22-F26 PolarHBondContact O-N 3.28Å; G22-T136 VanDerWaalsContact CA-CG2 3.47Å; G22-T136 WeakPolarHBondContact O-CG2 3.21Å |
| 23 | S | 95.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 174.4 | -38.7 | 0 | 0 | 0 | 0 | 111.9 | V20 F26 G27 V140 H160 I164 | V20-S23 WeakPolarHBondContact O-CA 3.46Å; V20-S23 VanDerWaalsContact O-CB 3.26Å; V20-S23 WeakPolarHBondContact O-CB 3.31Å; V20-S23 PolarHBondContact O-N 3.11Å; V20-S23 PolarHBondContact O-OG 3.21Å; S23-F26 WeakPolarHBondContact O-CB 3.3Å; S23-F26 PolarHBondContact O-N 3.34Å; S23-G27 PolarHBondContact O-N 2.95Å; S23-V140 WeakPolarHBondContact OG-CG1 3.34Å; S23-H160 WeakPolarHBondContact CB-ND1 3.35Å; S23-H160 VanDerWaalsContact CB-O 3.27Å; S23-H160 WeakPolarHBondContact CB-O 3.26Å; S23-H160 PolarHBondContact OG-ND1 3.27Å; S23-I164 WeakPolarHBondContact O-CA 3.46Å |
| 24 | L | 97.2 | Very high | 95.7 | Very high | 42 Ų | 42 | 12.9 Ų | 12.9 | 22% | 0.22 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.1 | -171.4 | 156.7 | 0 | 0 | 0 | 110.8 | V20 L21 G22 F26 G27 Y28 G163 I170 | V20-L24 PolarHBondContact O-N 2.84Å; L21-L24 PolarHBondContact O-N 3.32Å; G22-L24 VanDerWaalsContact C-N 3.3Å; G22-L24 PolarHBondContact O-N 3.22Å; L24-F26 VanDerWaalsContact C-N 3.34Å; L24-F26 PolarHBondContact O-N 3.45Å; L24-G27 PolarHBondContact O-N 3.25Å; L24-Y28 WeakPolarHBondContact O-CB 3.4Å; L24-Y28 PolarHBondContact O-N 3.38Å; L24-G163 WeakPolarHBondContact CA-O 3.45Å; L24-I170 HydrophobicContact CD1-CD1 4.15Å |
| 25 | Q | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 174.3 | -86 | -165.4 | -37 | 0 | 0 | 113.1 | L21 G22 Y28 N29 Y132 I193 P196 | L21-Q25 PolarHBondContact O-N 3.24Å; G22-Q25 PolarHBondContact O-N 3.46Å; Q25-Y28 PolarHBondContact O-N 2.94Å; Q25-N29 WeakPolarHBondContact O-CB 3.38Å; Q25-N29 PolarHBondContact O-N 2.72Å; Q25-N29 PolarHBondContact O-ND2 3.42Å; Q25-Y132 HydrophobicContact CB-CE1 4.01Å; Q25-Y132 PolarHBondContact OE1-OH 2.89Å; Q25-I193 PolarHBondContact NE2-O 2.87Å; Q25-P196 HydrophobicContact CG-CB 3.99Å; Q25-P196 HydrophobicContact CG-CG 3.64Å |
| 26 | F | 96.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 10.2 Ų | 10.2 | 12% | 0.123 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -57.5 | -51 | 174.3 | 175.2 | -87 | 0 | 0 | 0 | 111.3 | G22 S23 L24 T30 C133 T137 I164 W412 | G22-F26 PolarHBondContact O-N 3.28Å; S23-F26 WeakPolarHBondContact O-CB 3.3Å; S23-F26 PolarHBondContact O-N 3.34Å; L24-F26 VanDerWaalsContact C-N 3.34Å; L24-F26 PolarHBondContact O-N 3.45Å; F26-T30 WeakPolarHBondContact O-CB 3.4Å; F26-T30 PolarHBondContact O-N 3.18Å; F26-T30 VanDerWaalsContact O-N 3.12Å; F26-T30 PolarHBondContact O-OG1 3.27Å; F26-C133 HydrophobicContact CD2-CB 3.67Å; F26-C133 HydrophobicContact CE2-CB 4.3Å; F26-T137 HydrophobicContact CD2-CG2 3.41Å; F26-T137 VanDerWaalsContact CD2-CG2 3.41Å; F26-T137 HydrophobicContact CE2-CG2 3.28Å; F26-T137 HydrophobicContact CG-CG2 4.12Å; F26-T137 HydrophobicContact CZ-CG2 3.9Å; F26-I164 HydrophobicContact CD1-CB 4.18Å; F26-I164 HydrophobicContact CD1-CD1 3.6Å; F26-I164 HydrophobicContact CD1-CG1 3.56Å; F26-I164 HydrophobicContact CD1-CG2 3.67Å; F26-I164 HydrophobicContact CE1-CD1 3.81Å; F26-I164 HydrophobicContact CE1-CG1 4.2Å; F26-I164 HydrophobicContact CE1-CG2 3.84Å; F26-I164 HydrophobicContact CG-CD1 4.47Å; F26-I164 HydrophobicContact CG-CG1 4.39Å; F26-W412 HydrophobicContact CD2-CH2 4.39Å; F26-W412 AromaticContact CE2-CH2 3.41Å; F26-W412 HydrophobicContact CE2-CH2 3.41Å; F26-W412 VanDerWaalsContact CE2-CH2 3.41Å; F26-W412 AromaticContact CE2-CZ2 3.56Å; F26-W412 HydrophobicContact CE2-CZ2 3.56Å; F26-W412 HydrophobicContact CZ-CH2 4.06Å; F26-W412 HydrophobicContact CZ-CZ2 4.3Å |
| 27 | G | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S23 L24 N29 T30 G31 I164 I168 | S23-G27 PolarHBondContact O-N 2.95Å; L24-G27 PolarHBondContact O-N 3.25Å; G27-N29 PolarHBondContact O-N 2.55Å; G27-T30 WeakPolarHBondContact O-CB 3.44Å; G27-T30 PolarHBondContact O-N 2.91Å; G27-T30 VanDerWaalsContact O-N 3.14Å; G27-G31 PolarHBondContact O-N 2.92Å; G27-I164 WeakPolarHBondContact CA-O 3.42Å; G27-I168 VanDerWaalsContact O-CG1 3.24Å; G27-I168 WeakPolarHBondContact O-CG1 3.5Å |
| 28 | Y | 98.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 3% | 0.031 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.8 | -51.8 | -179.8 | -173 | -86.3 | 0 | 0 | 0 | 111.3 | L24 Q25 T30 G31 V32 G167 I170 A171 F174 L189 I192 I193 | L24-Y28 WeakPolarHBondContact O-CB 3.4Å; L24-Y28 PolarHBondContact O-N 3.38Å; Q25-Y28 PolarHBondContact O-N 2.94Å; Y28-T30 PolarHBondContact O-N 2.9Å; Y28-G31 PolarHBondContact O-N 3.09Å; Y28-V32 HydrophobicContact CD1-CB 4.21Å; Y28-V32 HydrophobicContact CD1-CG2 4.42Å; Y28-V32 HydrophobicContact CE1-CB 3.94Å; Y28-V32 HydrophobicContact CE1-CG1 4.45Å; Y28-V32 HydrophobicContact CE1-CG2 3.66Å; Y28-V32 VanDerWaalsContact O-CB 3.25Å; Y28-V32 WeakPolarHBondContact O-CB 3.1Å; Y28-V32 PolarHBondContact O-N 3.25Å; Y28-G167 WeakPolarHBondContact CA-O 3.43Å; Y28-I170 HydrophobicContact CD2-CG2 4.12Å; Y28-I170 HydrophobicContact CE2-CG2 4.12Å; Y28-A171 HydrophobicContact CD2-CB 3.62Å; Y28-A171 HydrophobicContact CE2-CB 3.8Å; Y28-A171 HydrophobicContact CG-CB 4.02Å; Y28-A171 WeakPolarHBondContact O-CB 3.31Å; Y28-F174 AromaticContact CE2-CD2 3.89Å; Y28-F174 HydrophobicContact CE2-CD2 3.89Å; Y28-F174 HydrophobicContact CE2-CE2 4.5Å; Y28-L189 WeakPolarHBondContact CE1-O 3.43Å; Y28-L189 WeakPolarHBondContact OH-CD1 3.49Å; Y28-L189 PolarHBondContact OH-O 3.36Å; Y28-I192 HydrophobicContact CE1-CG2 3.88Å; Y28-I192 HydrophobicContact CE2-CG2 4.2Å; Y28-I192 VanDerWaalsContact CZ-CG2 3.46Å; Y28-I192 WeakPolarHBondContact OH-CG2 3.49Å; Y28-I193 HydrophobicContact CD1-CG2 3.47Å; Y28-I193 VanDerWaalsContact CD1-CG2 3.47Å; Y28-I193 HydrophobicContact CE1-CG2 3.7Å; Y28-I193 HydrophobicContact CG-CG2 4.5Å |
| 29 | N | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.5 | -21.5 | -179.8 | -73.2 | -72.7 | 0 | 0 | 0 | 113.7 | Q25 G27 F72 R126 I129 | Q25-N29 WeakPolarHBondContact O-CB 3.38Å; Q25-N29 PolarHBondContact O-N 2.72Å; Q25-N29 PolarHBondContact O-ND2 3.42Å; G27-N29 PolarHBondContact O-N 2.55Å; N29-F72 HydrophobicContact CB-CE2 3.91Å; N29-F72 HydrophobicContact CB-CZ 4.27Å; N29-R126 PolarHBondContact O-NH1 3.38Å; N29-I129 HydrophobicContact CB-CG1 4.17Å; N29-I129 WeakPolarHBondContact ND2-CG1 3.44Å; N29-I129 WeakPolarHBondContact OD1-CG1 2.87Å |
| 30 | T | 94 | Very high | 95.5 | Very high | 8 Ų | 8 | 15.8 Ų | 15.8 | 5% | 0.049 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72.9 | -45.2 | 173.4 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | F26 G27 Y28 Y292 | F26-T30 WeakPolarHBondContact O-CB 3.4Å; F26-T30 PolarHBondContact O-N 3.18Å; F26-T30 VanDerWaalsContact O-N 3.12Å; F26-T30 PolarHBondContact O-OG1 3.27Å; G27-T30 WeakPolarHBondContact O-CB 3.44Å; G27-T30 PolarHBondContact O-N 2.91Å; G27-T30 VanDerWaalsContact O-N 3.14Å; Y28-T30 PolarHBondContact O-N 2.9Å; T30-Y292 HydrophobicContact CG2-CE1 3.8Å; T30-Y292 WeakPolarHBondContact O-CD1 3.35Å; T30-Y292 WeakPolarHBondContact O-CE1 3.29Å |
| 31 | G | 93 | Very high | 95.5 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -89.7 | -20.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | G27 Y28 I33 N34 | G27-G31 PolarHBondContact O-N 2.92Å; Y28-G31 PolarHBondContact O-N 3.09Å; G31-I33 VanDerWaalsContact C-N 3.29Å; G31-I33 PolarHBondContact O-N 3.35Å; G31-N34 PolarHBondContact O-N 3.24Å |
| 32 | V | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.3 | -168.5 | 71.7 | 0 | 0 | 0 | 0 | 114.8 | Y28 N34 P36 A171 L189 L190 | Y28-V32 HydrophobicContact CD1-CB 4.21Å; Y28-V32 HydrophobicContact CD1-CG2 4.42Å; Y28-V32 HydrophobicContact CE1-CB 3.94Å; Y28-V32 HydrophobicContact CE1-CG1 4.45Å; Y28-V32 HydrophobicContact CE1-CG2 3.66Å; Y28-V32 VanDerWaalsContact O-CB 3.25Å; Y28-V32 WeakPolarHBondContact O-CB 3.1Å; Y28-V32 PolarHBondContact O-N 3.25Å; V32-N34 VanDerWaalsContact C-N 3.3Å; V32-N34 PolarHBondContact O-N 3.23Å; V32-P36 WeakPolarHBondContact O-CD 3.36Å; V32-P36 WeakPolarHBondContact O-CG 3.42Å; V32-A171 HydrophobicContact CB-CB 3.98Å; V32-L189 HydrophobicContact CG2-CD1 3.97Å; V32-L189 HydrophobicContact CG2-CD2 4.12Å; V32-L189 HydrophobicContact CG2-CG 3.57Å; V32-L190 HydrophobicContact CB-CD2 4.47Å; V32-L190 HydrophobicContact CG1-CD2 3.76Å; V32-L190 HydrophobicContact CG2-CD2 3.91Å |
| 33 | I | 93.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -9 | -176.5 | 53.1 | 63.2 | 0 | 0 | 0 | 114 | G31 W65 V69 L190 Y292 | G31-I33 VanDerWaalsContact C-N 3.29Å; G31-I33 PolarHBondContact O-N 3.35Å; I33-W65 HydrophobicContact CB-CH2 3.96Å; I33-W65 HydrophobicContact CB-CZ2 4.31Å; I33-W65 WeakPolarHBondContact O-CH2 3.4Å; I33-W65 WeakPolarHBondContact O-CZ2 3.48Å; I33-V69 HydrophobicContact CD1-CG1 4.07Å; I33-V69 HydrophobicContact CD1-CG2 4.09Å; I33-V69 HydrophobicContact CG1-CG1 4.35Å; I33-V69 HydrophobicContact CG1-CG2 4.2Å; I33-L190 HydrophobicContact CG2-CD2 4.44Å; I33-Y292 HydrophobicContact CD1-CD1 3.87Å; I33-Y292 HydrophobicContact CD1-CG 4.11Å |
| 34 | N | 92.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -60.6 | -169.7 | -177.8 | -9.7 | 0 | 0 | 0 | 112.3 | G31 V32 Q37 V290 F291 Y292 S294 T295 | G31-N34 PolarHBondContact O-N 3.24Å; V32-N34 VanDerWaalsContact C-N 3.3Å; V32-N34 PolarHBondContact O-N 3.23Å; N34-Q37 WeakPolarHBondContact O-CB 3.35Å; N34-Q37 PolarHBondContact O-N 3.17Å; N34-V290 PolarHBondContact ND2-O 3.39Å; N34-F291 WeakPolarHBondContact CB-O 3.35Å; N34-F291 PolarHBondContact ND2-O 3.43Å; N34-Y292 WeakPolarHBondContact CA-O 3.39Å; N34-Y292 VanDerWaalsContact CB-O 3.32Å; N34-Y292 WeakPolarHBondContact CB-O 3.44Å; N34-Y292 VanDerWaalsContact CG-O 3.28Å; N34-Y292 PolarHBondContact OD1-O 3.4Å; N34-S294 PolarHBondContact ND2-N 3.09Å; N34-S294 PolarHBondContact ND2-OG 3.46Å; N34-S294 PolarHBondContact OD1-N 2.91Å; N34-T295 VanDerWaalsContact OD1-CB 3.3Å; N34-T295 WeakPolarHBondContact OD1-CB 3.39Å; N34-T295 PolarHBondContact OD1-N 2.97Å; N34-T295 PolarHBondContact OD1-OG1 2.88Å |
| 35 | A | 92.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 18.8 Ų | 18.8 | 16% | 0.157 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -43.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q37 G175 V307 | A35-Q37 PolarHBondContact O-N 2.91Å; A35-G175 WeakPolarHBondContact CB-O 3.46Å; A35-V307 HydrophobicContact CB-CG1 4.28Å |
| 36 | P | 94.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.013 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 14.6 | -179.2 | 37.5 | -40.6 | 0 | 0 | 0 | 113.8 | V32 K38 V39 I40 W186 L189 | V32-P36 WeakPolarHBondContact O-CD 3.36Å; V32-P36 WeakPolarHBondContact O-CG 3.42Å; P36-K38 VanDerWaalsContact C-N 3.33Å; P36-K38 PolarHBondContact O-N 3.25Å; P36-V39 HydrophobicContact CB-CG2 3.62Å; P36-V39 WeakPolarHBondContact O-CG2 3.36Å; P36-V39 PolarHBondContact O-N 3.39Å; P36-I40 HydrophobicContact CB-CD1 4.02Å; P36-I40 HydrophobicContact CB-CG1 4.34Å; P36-I40 HydrophobicContact CG-CD1 3.89Å; P36-I40 WeakPolarHBondContact O-CG1 3.44Å; P36-I40 PolarHBondContact O-N 2.99Å; P36-W186 HydrophobicContact CB-CB 4.34Å; P36-L189 HydrophobicContact CB-CD2 4.02Å; P36-L189 HydrophobicContact CG-CD2 3.74Å |
| 37 | Q | 94.6 | Very high | 95.8 | Very high | 15 Ų | 15 | 21.3 Ų | 21.3 | 7% | 0.07 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -50 | -52.6 | -177 | 171.3 | 174 | -7.1 | 0 | 0 | 112 | N34 A35 V39 I40 E41 W65 | N34-Q37 WeakPolarHBondContact O-CB 3.35Å; N34-Q37 PolarHBondContact O-N 3.17Å; A35-Q37 PolarHBondContact O-N 2.91Å; Q37-V39 PolarHBondContact O-N 3.34Å; Q37-I40 PolarHBondContact O-N 3.01Å; Q37-E41 HydrophobicContact CG-CG 4.37Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.49Å; Q37-E41 PolarHBondContact NE2-OE1 2.97Å; Q37-E41 WeakPolarHBondContact O-CB 3.34Å; Q37-E41 WeakPolarHBondContact O-CG 3.23Å; Q37-E41 PolarHBondContact O-N 3.37Å; Q37-W65 HydrophobicContact CB-CH2 4.23Å; Q37-W65 HydrophobicContact CB-CZ2 3.64Å; Q37-W65 VanDerWaalsContact CD-NE1 3.32Å; Q37-W65 HydrophobicContact CG-CD2 4.27Å; Q37-W65 HydrophobicContact CG-CH2 4.48Å; Q37-W65 HydrophobicContact CG-CZ2 3.67Å |
| 38 | K | 94.3 | Very high | 95.9 | Very high | 113 Ų | 113 | 23.8 Ų | 23.8 | 49% | 0.491 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -62.4 | -43.3 | -177.4 | -71.8 | -170.5 | 169.5 | -168.8 | 0 | 113.6 | P36 I40 E41 E42 E299 | P36-K38 VanDerWaalsContact C-N 3.33Å; P36-K38 PolarHBondContact O-N 3.25Å; K38-I40 VanDerWaalsContact C-N 3.29Å; K38-I40 PolarHBondContact O-N 2.99Å; K38-E41 PolarHBondContact O-N 3.33Å; K38-E42 PolarHBondContact O-N 3.41Å; K38-E299 WeakPolarHBondContact CE-OE2 3.49Å; K38-E299 IonicContact NZ-OE1 2.72Å; K38-E299 PolarHBondContact NZ-OE1 2.61Å; K38-E299 IonicContact NZ-OE2 3.83Å; K38-E299 PolarHBondContact NZ-OE2 3.3Å |
| 39 | V | 96 | Very high | 95.9 | Very high | 34 Ų | 34 | 26.4 Ų | 26.4 | 21% | 0.206 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.7 | -32 | -178.7 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | P36 Q37 F43 W186 | P36-V39 HydrophobicContact CB-CG2 3.62Å; P36-V39 WeakPolarHBondContact O-CG2 3.36Å; P36-V39 PolarHBondContact O-N 3.39Å; Q37-V39 PolarHBondContact O-N 3.34Å; V39-F43 PolarHBondContact O-N 3.38Å; V39-F43 VanDerWaalsContact O-N 3.12Å; V39-W186 HydrophobicContact CG2-CB 4.04Å; V39-W186 HydrophobicContact CG2-CG 4.21Å |
| 40 | I | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -76.3 | -39.2 | 175.3 | -61.2 | 169 | 0 | 0 | 0 | 111.1 | P36 Q37 K38 E42 F43 Y44 W65 L122 W186 L190 | P36-I40 HydrophobicContact CB-CD1 4.02Å; P36-I40 HydrophobicContact CB-CG1 4.34Å; P36-I40 HydrophobicContact CG-CD1 3.89Å; P36-I40 WeakPolarHBondContact O-CG1 3.44Å; P36-I40 PolarHBondContact O-N 2.99Å; Q37-I40 PolarHBondContact O-N 3.01Å; K38-I40 VanDerWaalsContact C-N 3.29Å; K38-I40 PolarHBondContact O-N 2.99Å; I40-E42 VanDerWaalsContact C-N 3.31Å; I40-E42 PolarHBondContact O-N 2.82Å; I40-F43 HydrophobicContact CG2-CD1 4.5Å; I40-F43 WeakPolarHBondContact O-CB 3.22Å; I40-F43 PolarHBondContact O-N 3.35Å; I40-Y44 HydrophobicContact CG2-CD1 4.23Å; I40-Y44 HydrophobicContact CG2-CE1 3.71Å; I40-Y44 WeakPolarHBondContact O-CD1 3.28Å; I40-Y44 PolarHBondContact O-N 3.15Å; I40-W65 HydrophobicContact CB-CZ3 3.87Å; I40-W65 HydrophobicContact CD1-CH2 4.14Å; I40-W65 HydrophobicContact CD1-CZ3 4Å; I40-W65 HydrophobicContact CG2-CE3 4.16Å; I40-W65 HydrophobicContact CG2-CZ3 3.69Å; I40-L122 HydrophobicContact CG2-CD1 3.85Å; I40-W186 HydrophobicContact CD1-CE3 4.03Å; I40-W186 HydrophobicContact CG1-CD2 3.83Å; I40-W186 HydrophobicContact CG1-CE3 3.69Å; I40-W186 HydrophobicContact CG1-CG 4.26Å; I40-W186 HydrophobicContact CG1-CZ3 4.16Å; I40-L190 HydrophobicContact CD1-CD1 4.4Å |
| 41 | E | 96.9 | Very high | 96 | Very high | 39 Ų | 39 | 36 Ų | 36 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 173.3 | -79 | 177.9 | -173.4 | 0 | 0 | 111.8 | Q37 K38 Y44 N45 L61 W65 | Q37-E41 HydrophobicContact CG-CG 4.37Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.49Å; Q37-E41 PolarHBondContact NE2-OE1 2.97Å; Q37-E41 WeakPolarHBondContact O-CB 3.34Å; Q37-E41 WeakPolarHBondContact O-CG 3.23Å; Q37-E41 PolarHBondContact O-N 3.37Å; K38-E41 PolarHBondContact O-N 3.33Å; E41-Y44 WeakPolarHBondContact O-CB 3.4Å; E41-Y44 PolarHBondContact O-N 3.18Å; E41-N45 PolarHBondContact O-N 3.49Å; E41-L61 HydrophobicContact CB-CD1 4.13Å; E41-L61 HydrophobicContact CB-CD2 4.24Å; E41-L61 HydrophobicContact CB-CG 4.42Å; E41-L61 HydrophobicContact CG-CD1 4.2Å; E41-L61 HydrophobicContact CG-CG 4.31Å; E41-W65 HydrophobicContact CG-CB 4.24Å; E41-W65 HydrophobicContact CG-CD2 4.37Å; E41-W65 HydrophobicContact CG-CG 4.2Å |
| 42 | E | 96.8 | Very high | 96.1 | Very high | 89 Ų | 89 | 42.1 Ų | 42.1 | 42% | 0.416 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 173.8 | -175 | 56 | -144.8 | 0 | 0 | 111.3 | K38 I40 Y44 N45 Q46 | K38-E42 PolarHBondContact O-N 3.41Å; I40-E42 VanDerWaalsContact C-N 3.31Å; I40-E42 PolarHBondContact O-N 2.82Å; E42-Y44 VanDerWaalsContact C-N 3.27Å; E42-Y44 PolarHBondContact O-N 3.06Å; E42-N45 PolarHBondContact O-N 3.37Å; E42-Q46 HydrophobicContact CG-CG 4.39Å; E42-Q46 WeakPolarHBondContact O-CB 3.3Å; E42-Q46 VanDerWaalsContact O-CG 3.3Å; E42-Q46 WeakPolarHBondContact O-CG 3.44Å; E42-Q46 PolarHBondContact O-N 2.88Å |
| 43 | F | 97.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.5 | -38.7 | 171.3 | 159.1 | -109.3 | 0 | 0 | 0 | 112.4 | V39 I40 T47 S113 K114 W186 | V39-F43 PolarHBondContact O-N 3.38Å; V39-F43 VanDerWaalsContact O-N 3.12Å; I40-F43 HydrophobicContact CG2-CD1 4.5Å; I40-F43 WeakPolarHBondContact O-CB 3.22Å; I40-F43 PolarHBondContact O-N 3.35Å; F43-T47 WeakPolarHBondContact CE2-OG1 3.39Å; F43-T47 VanDerWaalsContact O-CB 3.26Å; F43-T47 WeakPolarHBondContact O-CB 3.49Å; F43-T47 PolarHBondContact O-N 3.02Å; F43-T47 PolarHBondContact O-OG1 3.23Å; F43-S113 WeakPolarHBondContact CZ-O 3.34Å; F43-K114 HydrophobicContact CD2-CG 4.22Å; F43-K114 HydrophobicContact CE2-CB 4.37Å; F43-K114 HydrophobicContact CE2-CG 4.31Å; F43-W186 HydrophobicContact CB-CZ2 3.91Å; F43-W186 AromaticContact CD1-CH2 3.65Å; F43-W186 HydrophobicContact CD1-CH2 3.65Å; F43-W186 AromaticContact CD1-CZ2 3.54Å; F43-W186 HydrophobicContact CD1-CZ2 3.54Å; F43-W186 HydrophobicContact CD2-CZ2 4.04Å; F43-W186 AromaticContact CE1-CH2 3.83Å; F43-W186 HydrophobicContact CE1-CH2 3.83Å; F43-W186 HydrophobicContact CE1-CZ2 4.06Å; F43-W186 HydrophobicContact CE2-CZ2 4.49Å; F43-W186 HydrophobicContact CG-CH2 4.14Å; F43-W186 AromaticContact CG-CZ2 3.54Å; F43-W186 HydrophobicContact CG-CZ2 3.54Å; F43-W186 HydrophobicContact CZ-CH2 4.44Å |
| 44 | Y | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 176.1 | -72.2 | 3.5 | 0 | 0 | 0 | 111.2 | I40 E41 E42 T47 W48 L61 L64 W65 S68 F119 L122 | I40-Y44 HydrophobicContact CG2-CD1 4.23Å; I40-Y44 HydrophobicContact CG2-CE1 3.71Å; I40-Y44 WeakPolarHBondContact O-CD1 3.28Å; I40-Y44 PolarHBondContact O-N 3.15Å; E41-Y44 WeakPolarHBondContact O-CB 3.4Å; E41-Y44 PolarHBondContact O-N 3.18Å; E42-Y44 VanDerWaalsContact C-N 3.27Å; E42-Y44 PolarHBondContact O-N 3.06Å; Y44-T47 PolarHBondContact O-N 3.08Å; Y44-W48 WeakPolarHBondContact O-CB 3.31Å; Y44-W48 PolarHBondContact O-N 2.85Å; Y44-L61 HydrophobicContact CD2-CD1 4.16Å; Y44-L61 HydrophobicContact CG-CD1 4.47Å; Y44-L64 HydrophobicContact CD2-CB 4.31Å; Y44-L64 HydrophobicContact CD2-CD2 3.59Å; Y44-L64 HydrophobicContact CD2-CG 3.81Å; Y44-L64 HydrophobicContact CE2-CB 4.44Å; Y44-L64 HydrophobicContact CE2-CD2 4.03Å; Y44-L64 HydrophobicContact CE2-CG 3.79Å; Y44-L64 HydrophobicContact CG-CD2 4.06Å; Y44-W65 HydrophobicContact CE2-CE3 4.44Å; Y44-S68 WeakPolarHBondContact OH-CB 3.26Å; Y44-S68 PolarHBondContact OH-OG 2.93Å; Y44-F119 HydrophobicContact CD1-CB 3.7Å; Y44-F119 HydrophobicContact CE1-CB 3.47Å; Y44-F119 VanDerWaalsContact CE1-CB 3.47Å; Y44-F119 HydrophobicContact CG-CB 4.35Å; Y44-L122 HydrophobicContact CE1-CD1 4.08Å; Y44-L122 WeakPolarHBondContact OH-CD2 3.28Å |
| 45 | N | 97.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 60.1 Ų | 60.1 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 176.2 | -180 | 46.2 | 0 | 0 | 0 | 111.8 | E41 E42 T47 W48 I49 I56 | E41-N45 PolarHBondContact O-N 3.49Å; E42-N45 PolarHBondContact O-N 3.37Å; N45-T47 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 3.39Å; N45-W48 WeakPolarHBondContact O-CB 3.11Å; N45-W48 PolarHBondContact O-N 2.87Å; N45-W48 VanDerWaalsContact O-N 3.16Å; N45-I49 VanDerWaalsContact O-CG1 3.31Å; N45-I49 WeakPolarHBondContact O-CG1 3.4Å; N45-I49 PolarHBondContact O-N 3.06Å; N45-I56 HydrophobicContact CB-CG2 3.83Å; N45-I56 PolarHBondContact OD1-N 3.16Å |
| 46 | Q | 97.1 | Very high | 96.5 | Very high | 77 Ų | 77 | 59.8 Ų | 59.8 | 36% | 0.36 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 176.9 | -70.8 | 177.9 | 4.9 | 0 | 0 | 112.2 | E42 W48 I49 H50 | E42-Q46 HydrophobicContact CG-CG 4.39Å; E42-Q46 WeakPolarHBondContact O-CB 3.3Å; E42-Q46 VanDerWaalsContact O-CG 3.3Å; E42-Q46 WeakPolarHBondContact O-CG 3.44Å; E42-Q46 PolarHBondContact O-N 2.88Å; Q46-W48 VanDerWaalsContact C-N 3.34Å; Q46-I49 PolarHBondContact O-N 3.28Å; Q46-H50 WeakPolarHBondContact O-CB 3.25Å; Q46-H50 PolarHBondContact O-N 2.8Å |
| 47 | T | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 176.2 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | F43 Y44 N45 H50 R51 K117 F119 | F43-T47 WeakPolarHBondContact CE2-OG1 3.39Å; F43-T47 VanDerWaalsContact O-CB 3.26Å; F43-T47 WeakPolarHBondContact O-CB 3.49Å; F43-T47 PolarHBondContact O-N 3.02Å; F43-T47 PolarHBondContact O-OG1 3.23Å; Y44-T47 PolarHBondContact O-N 3.08Å; N45-T47 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 3.39Å; T47-H50 PolarHBondContact O-N 2.95Å; T47-R51 WeakPolarHBondContact O-CG 3.46Å; T47-R51 PolarHBondContact O-N 2.67Å; T47-R51 VanDerWaalsContact O-N 3.16Å; T47-K117 HydrophobicContact CG2-CB 4.41Å; T47-K117 WeakPolarHBondContact CG2-O 3.43Å; T47-F119 HydrophobicContact CG2-CD1 3.92Å; T47-F119 HydrophobicContact CG2-CE1 4.15Å |
| 48 | W | 97.8 | Very high | 96.5 | Very high | 52 Ų | 52 | 69 Ų | 69 | 20% | 0.197 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.1 | -48 | 176.4 | -163.7 | -81.1 | 0 | 0 | 0 | 111.5 | Y44 N45 Q46 H50 R51 Y52 I56 T60 F119 | Y44-W48 WeakPolarHBondContact O-CB 3.31Å; Y44-W48 PolarHBondContact O-N 2.85Å; N45-W48 WeakPolarHBondContact O-CB 3.11Å; N45-W48 PolarHBondContact O-N 2.87Å; N45-W48 VanDerWaalsContact O-N 3.16Å; Q46-W48 VanDerWaalsContact C-N 3.34Å; W48-H50 VanDerWaalsContact C-N 3.29Å; W48-H50 PolarHBondContact O-N 2.89Å; W48-R51 PolarHBondContact O-N 3.36Å; W48-Y52 AromaticContact CD1-CD2 3.71Å; W48-Y52 AromaticContact CD2-CD2 3.67Å; W48-Y52 HydrophobicContact CD2-CD2 3.67Å; W48-Y52 AromaticContact CD2-CE2 3.82Å; W48-Y52 HydrophobicContact CD2-CE2 3.82Å; W48-Y52 AromaticContact CE2-CD2 3.52Å; W48-Y52 AromaticContact CE2-CE2 3.81Å; W48-Y52 HydrophobicContact CE3-CD2 4.33Å; W48-Y52 HydrophobicContact CE3-CE2 4.01Å; W48-Y52 AromaticContact CG-CD2 3.81Å; W48-Y52 HydrophobicContact CG-CD2 3.81Å; W48-Y52 HydrophobicContact CG-CE2 4.36Å; W48-Y52 HydrophobicContact CH2-CE2 4.2Å; W48-Y52 HydrophobicContact CZ2-CD2 4.07Å; W48-Y52 HydrophobicContact CZ2-CE2 4.01Å; W48-Y52 HydrophobicContact CZ3-CE2 4.2Å; W48-Y52 AromaticContact NE1-CD2 3.53Å; W48-Y52 WeakPolarHBondContact O-CD2 3.35Å; W48-Y52 PolarHBondContact O-N 3.25Å; W48-I56 HydrophobicContact CB-CB 4.03Å; W48-I56 HydrophobicContact CD2-CB 4.11Å; W48-I56 HydrophobicContact CD2-CD1 4.01Å; W48-I56 HydrophobicContact CD2-CG1 3.89Å; W48-I56 HydrophobicContact CE3-CD1 3.67Å; W48-I56 HydrophobicContact CE3-CG1 4.05Å; W48-I56 HydrophobicContact CG-CB 3.81Å; W48-I56 HydrophobicContact CG-CD1 4.44Å; W48-I56 HydrophobicContact CG-CG1 4.16Å; W48-I56 HydrophobicContact CZ3-CD1 4.17Å; W48-T60 HydrophobicContact CH2-CG2 4.27Å; W48-T60 HydrophobicContact CZ3-CG2 4.47Å; W48-F119 HydrophobicContact CE3-CE1 4.34Å; W48-F119 HydrophobicContact CE3-CZ 4.47Å; W48-F119 HydrophobicContact CZ3-CZ 4.43Å |
| 49 | I | 97.5 | Very high | 96.4 | Very high | 63 Ų | 63 | 67.7 Ų | 67.7 | 32% | 0.323 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58 | -43.9 | 176.2 | -65.3 | 160.7 | 0 | 0 | 0 | 110.7 | N45 Q46 R51 G53 E54 R55 | N45-I49 VanDerWaalsContact O-CG1 3.31Å; N45-I49 WeakPolarHBondContact O-CG1 3.4Å; N45-I49 PolarHBondContact O-N 3.06Å; Q46-I49 PolarHBondContact O-N 3.28Å; I49-R51 VanDerWaalsContact C-N 3.26Å; I49-R51 PolarHBondContact O-N 3.31Å; I49-G53 VanDerWaalsContact O-CA 3.23Å; I49-G53 WeakPolarHBondContact O-CA 3.43Å; I49-G53 PolarHBondContact O-N 2.72Å; I49-E54 VanDerWaalsContact CA-O 3.26Å; I49-E54 WeakPolarHBondContact CA-O 3.15Å; I49-E54 WeakPolarHBondContact CG1-O 3.28Å; I49-E54 PolarHBondContact N-O 3.16Å; I49-R55 HydrophobicContact CD1-CG 4.01Å; I49-R55 HydrophobicContact CG1-CG 4.18Å |
| 50 | H | 96.9 | Very high | 96.3 | Very high | 119 Ų | 119 | 68.5 Ų | 68.5 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.9 | -32.6 | 177.9 | -179.5 | -84 | 0 | 0 | 0 | 113.2 | Q46 T47 W48 K117 | Q46-H50 WeakPolarHBondContact O-CB 3.25Å; Q46-H50 PolarHBondContact O-N 2.8Å; T47-H50 PolarHBondContact O-N 2.95Å; W48-H50 VanDerWaalsContact C-N 3.29Å; W48-H50 PolarHBondContact O-N 2.89Å; H50-K117 PolarHBondContact CD2-NZ 3.21Å; H50-K117 PolarHBondContact NE2-NZ 3.34Å |
| 51 | R | 97.1 | Very high | 96.2 | Very high | 90 Ų | 90 | 69.8 Ų | 69.8 | 34% | 0.34 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -89 | -37.3 | -176.8 | -70.8 | 179.3 | -178.1 | -166.2 | 6.8 | 113.5 | T47 W48 I49 K117 E120 | T47-R51 WeakPolarHBondContact O-CG 3.46Å; T47-R51 PolarHBondContact O-N 2.67Å; T47-R51 VanDerWaalsContact O-N 3.16Å; W48-R51 PolarHBondContact O-N 3.36Å; I49-R51 VanDerWaalsContact C-N 3.26Å; I49-R51 PolarHBondContact O-N 3.31Å; R51-K117 PolarHBondContact NH2-O 2.95Å; R51-E120 IonicContact CZ-OE1 2.79Å; R51-E120 IonicContact CZ-OE2 3.95Å; R51-E120 IonicContact NH1-OE1 3.67Å; R51-E120 PolarHBondContact NH1-OE1 3.03Å; R51-E120 IonicContact NH1-OE2 3.45Å; R51-E120 PolarHBondContact NH1-OE2 3.21Å; R51-E120 IonicContact NH2-OE1 3.21Å; R51-E120 IonicContact NH2-OE2 3.62Å; R51-E120 PolarHBondContact NH2-OE2 2.8Å |
| 52 | Y | 96.4 | Very high | 96 | Very high | 132 Ų | 132 | 68.7 Ų | 68.7 | 52% | 0.518 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -119.6 | -7.9 | -169.3 | -55.1 | -66.5 | 0 | 0 | 0 | 113.8 | W48 E54 | W48-Y52 AromaticContact CD1-CD2 3.71Å; W48-Y52 AromaticContact CD2-CD2 3.67Å; W48-Y52 HydrophobicContact CD2-CD2 3.67Å; W48-Y52 AromaticContact CD2-CE2 3.82Å; W48-Y52 HydrophobicContact CD2-CE2 3.82Å; W48-Y52 AromaticContact CE2-CD2 3.52Å; W48-Y52 AromaticContact CE2-CE2 3.81Å; W48-Y52 HydrophobicContact CE3-CD2 4.33Å; W48-Y52 HydrophobicContact CE3-CE2 4.01Å; W48-Y52 AromaticContact CG-CD2 3.81Å; W48-Y52 HydrophobicContact CG-CD2 3.81Å; W48-Y52 HydrophobicContact CG-CE2 4.36Å; W48-Y52 HydrophobicContact CH2-CE2 4.2Å; W48-Y52 HydrophobicContact CZ2-CD2 4.07Å; W48-Y52 HydrophobicContact CZ2-CE2 4.01Å; W48-Y52 HydrophobicContact CZ3-CE2 4.2Å; W48-Y52 AromaticContact NE1-CD2 3.53Å; W48-Y52 WeakPolarHBondContact O-CD2 3.35Å; W48-Y52 PolarHBondContact O-N 3.25Å; Y52-E54 PolarHBondContact O-N 2.89Å |
| 53 | G | 96 | Very high | 95.8 | Very high | 68 Ų | 68 | 67 Ų | 67 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 75.3 | 3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I49 | I49-G53 VanDerWaalsContact O-CA 3.23Å; I49-G53 WeakPolarHBondContact O-CA 3.43Å; I49-G53 PolarHBondContact O-N 2.72Å |
| 54 | E | 96 | Very high | 95.7 | Very high | 116 Ų | 116 | 67.6 Ų | 67.6 | 54% | 0.542 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -127 | 161.5 | -178.7 | 63.3 | 176.9 | -170.6 | 0 | 0 | 112 | I49 Y52 | I49-E54 VanDerWaalsContact CA-O 3.26Å; I49-E54 WeakPolarHBondContact CA-O 3.15Å; I49-E54 WeakPolarHBondContact CG1-O 3.28Å; I49-E54 PolarHBondContact N-O 3.16Å; Y52-E54 PolarHBondContact O-N 2.89Å |
| 55 | R | 95.3 | Very high | 95.6 | Very high | 199 Ų | 199 | 67.7 Ų | 67.7 | 75% | 0.751 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 144.4 | 174.7 | -67.3 | -172 | 175.2 | -170.4 | -2 | 110.5 | I49 | I49-R55 HydrophobicContact CD1-CG 4.01Å; I49-R55 HydrophobicContact CG1-CG 4.18Å |
| 56 | I | 96.5 | Very high | 95.4 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 138.3 | 176.4 | -166 | 170.7 | 0 | 0 | 0 | 110.5 | N45 W48 T60 L61 L64 | N45-I56 HydrophobicContact CB-CG2 3.83Å; N45-I56 PolarHBondContact OD1-N 3.16Å; W48-I56 HydrophobicContact CB-CB 4.03Å; W48-I56 HydrophobicContact CD2-CB 4.11Å; W48-I56 HydrophobicContact CD2-CD1 4.01Å; W48-I56 HydrophobicContact CD2-CG1 3.89Å; W48-I56 HydrophobicContact CE3-CD1 3.67Å; W48-I56 HydrophobicContact CE3-CG1 4.05Å; W48-I56 HydrophobicContact CG-CB 3.81Å; W48-I56 HydrophobicContact CG-CD1 4.44Å; W48-I56 HydrophobicContact CG-CG1 4.16Å; W48-I56 HydrophobicContact CZ3-CD1 4.17Å; I56-T60 HydrophobicContact CD1-CG2 4.13Å; I56-T60 HydrophobicContact CG1-CG2 4.11Å; I56-L61 HydrophobicContact CD1-CB 4.17Å; I56-L61 HydrophobicContact CD1-CD1 4.29Å; I56-L61 HydrophobicContact CG1-CB 4.39Å; I56-L61 HydrophobicContact CG2-CB 3.97Å; I56-L61 HydrophobicContact CG2-CD1 4.19Å; I56-L61 HydrophobicContact CG2-CD2 4.22Å; I56-L61 HydrophobicContact CG2-CG 4.36Å; I56-L64 HydrophobicContact CD1-CD2 4.29Å |
| 57 | L | 95.6 | Very high | 95.3 | Very high | 113 Ų | 113 | 65.8 Ų | 65.8 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 137 | 172.7 | -78 | 150.2 | 0 | 0 | 0 | 110.3 | T59 T60 L61 | L57-T59 VanDerWaalsContact C-N 3.27Å; L57-T59 PolarHBondContact O-N 3.36Å; L57-T60 WeakPolarHBondContact O-CB 3.4Å; L57-T60 PolarHBondContact O-N 2.92Å; L57-L61 PolarHBondContact O-N 3.46Å |
| 58 | P | 92.4 | Very high | 95.2 | Very high | 98 Ų | 98 | 65.7 Ų | 65.7 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -57.2 | -36.7 | -178.2 | -27 | 34.4 | 0 | 0 | 0 | 114.1 | L61 T62 | P58-L61 PolarHBondContact O-N 2.92Å; P58-T62 WeakPolarHBondContact O-CB 3.41Å; P58-T62 PolarHBondContact O-N 2.95Å; P58-T62 PolarHBondContact O-OG1 2.8Å |
| 59 | T | 92.4 | Very high | 95 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 176.2 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | L57 T63 | L57-T59 VanDerWaalsContact C-N 3.27Å; L57-T59 PolarHBondContact O-N 3.36Å; T59-T63 WeakPolarHBondContact O-CB 3.49Å; T59-T63 PolarHBondContact O-N 3.29Å; T59-T63 PolarHBondContact O-OG1 3.4Å |
| 60 | T | 94.7 | Very high | 94.8 | Very high | 50 Ų | 50 | 60.2 Ų | 60.2 | 31% | 0.307 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 174.5 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | W48 I56 L57 T63 L64 | W48-T60 HydrophobicContact CH2-CG2 4.27Å; W48-T60 HydrophobicContact CZ3-CG2 4.47Å; I56-T60 HydrophobicContact CD1-CG2 4.13Å; I56-T60 HydrophobicContact CG1-CG2 4.11Å; L57-T60 WeakPolarHBondContact O-CB 3.4Å; L57-T60 PolarHBondContact O-N 2.92Å; T60-T63 WeakPolarHBondContact O-CB 3.45Å; T60-T63 PolarHBondContact O-N 3.4Å; T60-L64 WeakPolarHBondContact O-CB 3.15Å; T60-L64 PolarHBondContact O-N 2.92Å |
| 61 | L | 95 | Very high | 94.8 | Very high | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -48.7 | 175.6 | -178.5 | 60.7 | 0 | 0 | 0 | 111.7 | E41 Y44 I56 L57 P58 T63 L64 W65 | E41-L61 HydrophobicContact CB-CD1 4.13Å; E41-L61 HydrophobicContact CB-CD2 4.24Å; E41-L61 HydrophobicContact CB-CG 4.42Å; E41-L61 HydrophobicContact CG-CD1 4.2Å; E41-L61 HydrophobicContact CG-CG 4.31Å; Y44-L61 HydrophobicContact CD2-CD1 4.16Å; Y44-L61 HydrophobicContact CG-CD1 4.47Å; I56-L61 HydrophobicContact CD1-CB 4.17Å; I56-L61 HydrophobicContact CD1-CD1 4.29Å; I56-L61 HydrophobicContact CG1-CB 4.39Å; I56-L61 HydrophobicContact CG2-CB 3.97Å; I56-L61 HydrophobicContact CG2-CD1 4.19Å; I56-L61 HydrophobicContact CG2-CD2 4.22Å; I56-L61 HydrophobicContact CG2-CG 4.36Å; L57-L61 PolarHBondContact O-N 3.46Å; P58-L61 PolarHBondContact O-N 2.92Å; L61-T63 VanDerWaalsContact C-N 3.27Å; L61-T63 PolarHBondContact O-N 2.84Å; L61-L64 PolarHBondContact O-N 3.07Å; L61-W65 WeakPolarHBondContact O-CB 3.26Å; L61-W65 PolarHBondContact O-N 3.27Å |
| 62 | T | 91.2 | Very high | 94.8 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.1 | -45.3 | 174.8 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | P58 S66 Q423 Q427 | P58-T62 WeakPolarHBondContact O-CB 3.41Å; P58-T62 PolarHBondContact O-N 2.95Å; P58-T62 PolarHBondContact O-OG1 2.8Å; T62-S66 WeakPolarHBondContact O-CB 3.44Å; T62-S66 PolarHBondContact O-N 3.47Å; T62-S66 PolarHBondContact O-OG 2.67Å; T62-Q423 HydrophobicContact CG2-CB 3.82Å; T62-Q427 PolarHBondContact OG1-NE2 3.02Å |
| 63 | T | 93.9 | Very high | 94.7 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 32% | 0.319 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 179.4 | -57.3 | 0 | 0 | 0 | 0 | 112 | T59 T60 L61 L67 M420 Y424 | T59-T63 WeakPolarHBondContact O-CB 3.49Å; T59-T63 PolarHBondContact O-N 3.29Å; T59-T63 PolarHBondContact O-OG1 3.4Å; T60-T63 WeakPolarHBondContact O-CB 3.45Å; T60-T63 PolarHBondContact O-N 3.4Å; L61-T63 VanDerWaalsContact C-N 3.27Å; L61-T63 PolarHBondContact O-N 2.84Å; T63-L67 VanDerWaalsContact O-CB 3.28Å; T63-L67 WeakPolarHBondContact O-CB 3.34Å; T63-L67 PolarHBondContact O-N 2.94Å; T63-M420 HydrophobicContact CG2-CE 4.47Å; T63-Y424 VanDerWaalsContact CA-OH 3.27Å; T63-Y424 WeakPolarHBondContact CA-OH 3.49Å; T63-Y424 WeakPolarHBondContact CB-OH 3.21Å; T63-Y424 WeakPolarHBondContact CG2-OH 3.3Å; T63-Y424 PolarHBondContact OG1-OH 3.23Å |
| 64 | L | 95.8 | Very high | 94.7 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.4 | -40.8 | -178.6 | -170.9 | 64.1 | 0 | 0 | 0 | 111.6 | Y44 I56 T60 L61 S68 F119 I123 | Y44-L64 HydrophobicContact CD2-CB 4.31Å; Y44-L64 HydrophobicContact CD2-CD2 3.59Å; Y44-L64 HydrophobicContact CD2-CG 3.81Å; Y44-L64 HydrophobicContact CE2-CB 4.44Å; Y44-L64 HydrophobicContact CE2-CD2 4.03Å; Y44-L64 HydrophobicContact CE2-CG 3.79Å; Y44-L64 HydrophobicContact CG-CD2 4.06Å; I56-L64 HydrophobicContact CD1-CD2 4.29Å; T60-L64 WeakPolarHBondContact O-CB 3.15Å; T60-L64 PolarHBondContact O-N 2.92Å; L61-L64 PolarHBondContact O-N 3.07Å; L64-S68 WeakPolarHBondContact O-CB 3.44Å; L64-S68 PolarHBondContact O-N 3.17Å; L64-S68 PolarHBondContact O-OG 3.43Å; L64-F119 HydrophobicContact CD1-CD2 3.99Å; L64-F119 HydrophobicContact CD1-CE2 4.27Å; L64-F119 HydrophobicContact CD2-CB 4.41Å; L64-F119 HydrophobicContact CD2-CD1 4.22Å; L64-F119 HydrophobicContact CD2-CD2 4.01Å; L64-F119 HydrophobicContact CD2-CE2 4.33Å; L64-F119 HydrophobicContact CD2-CG 3.96Å; L64-I123 HydrophobicContact CD1-CD1 3.67Å |
| 65 | W | 95.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.3 | -50.4 | 173.4 | 175 | -112.6 | 0 | 0 | 0 | 111.8 | I33 Q37 I40 E41 Y44 L61 L67 S68 V69 Y293 | I33-W65 HydrophobicContact CB-CH2 3.96Å; I33-W65 HydrophobicContact CB-CZ2 4.31Å; I33-W65 WeakPolarHBondContact O-CH2 3.4Å; I33-W65 WeakPolarHBondContact O-CZ2 3.48Å; Q37-W65 HydrophobicContact CB-CH2 4.23Å; Q37-W65 HydrophobicContact CB-CZ2 3.64Å; Q37-W65 VanDerWaalsContact CD-NE1 3.32Å; Q37-W65 HydrophobicContact CG-CD2 4.27Å; Q37-W65 HydrophobicContact CG-CH2 4.48Å; Q37-W65 HydrophobicContact CG-CZ2 3.67Å; I40-W65 HydrophobicContact CB-CZ3 3.87Å; I40-W65 HydrophobicContact CD1-CH2 4.14Å; I40-W65 HydrophobicContact CD1-CZ3 4Å; I40-W65 HydrophobicContact CG2-CE3 4.16Å; I40-W65 HydrophobicContact CG2-CZ3 3.69Å; E41-W65 HydrophobicContact CG-CB 4.24Å; E41-W65 HydrophobicContact CG-CD2 4.37Å; E41-W65 HydrophobicContact CG-CG 4.2Å; Y44-W65 HydrophobicContact CE2-CE3 4.44Å; L61-W65 WeakPolarHBondContact O-CB 3.26Å; L61-W65 PolarHBondContact O-N 3.27Å; W65-L67 VanDerWaalsContact C-N 3.25Å; W65-L67 PolarHBondContact O-N 2.99Å; W65-S68 WeakPolarHBondContact O-CA 3.05Å; W65-S68 VanDerWaalsContact O-CB 3.3Å; W65-S68 WeakPolarHBondContact O-CB 3.43Å; W65-S68 PolarHBondContact O-N 3.28Å; W65-V69 HydrophobicContact CD2-CG2 4.18Å; W65-V69 HydrophobicContact CH2-CG2 4.28Å; W65-V69 HydrophobicContact CZ2-CG2 3.72Å; W65-V69 PolarHBondContact O-N 3.28Å; W65-Y293 AromaticContact NE1-CE1 3.69Å |
| 66 | S | 92.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56 | -40.7 | 176.1 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | T62 V69 A70 Q423 | T62-S66 WeakPolarHBondContact O-CB 3.44Å; T62-S66 PolarHBondContact O-N 3.47Å; T62-S66 PolarHBondContact O-OG 2.67Å; S66-V69 PolarHBondContact O-N 3.04Å; S66-A70 WeakPolarHBondContact O-CB 3.38Å; S66-A70 PolarHBondContact O-N 3.3Å; S66-Q423 PolarHBondContact OG-OE1 3.06Å; S66-Q423 VanDerWaalsContact OG-OE1 3.09Å |
| 67 | L | 95.1 | Very high | 94.4 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 31% | 0.309 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 172.8 | 178.8 | 62.6 | 0 | 0 | 0 | 111.9 | T63 W65 V69 A70 I71 I123 | T63-L67 VanDerWaalsContact O-CB 3.28Å; T63-L67 WeakPolarHBondContact O-CB 3.34Å; T63-L67 PolarHBondContact O-N 2.94Å; W65-L67 VanDerWaalsContact C-N 3.25Å; W65-L67 PolarHBondContact O-N 2.99Å; L67-V69 VanDerWaalsContact C-N 3.26Å; L67-V69 PolarHBondContact O-N 2.89Å; L67-A70 PolarHBondContact O-N 2.9Å; L67-I71 HydrophobicContact CD1-CB 4.48Å; L67-I71 HydrophobicContact CD1-CD1 4.22Å; L67-I71 WeakPolarHBondContact O-CB 3.37Å; L67-I71 WeakPolarHBondContact O-CG2 3.41Å; L67-I71 PolarHBondContact O-N 3.17Å; L67-I123 HydrophobicContact CD2-CD1 4.3Å |
| 68 | S | 95.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -34.2 | 178.9 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | Y44 L64 W65 I123 R126 | Y44-S68 WeakPolarHBondContact OH-CB 3.26Å; Y44-S68 PolarHBondContact OH-OG 2.93Å; L64-S68 WeakPolarHBondContact O-CB 3.44Å; L64-S68 PolarHBondContact O-N 3.17Å; L64-S68 PolarHBondContact O-OG 3.43Å; W65-S68 WeakPolarHBondContact O-CA 3.05Å; W65-S68 VanDerWaalsContact O-CB 3.3Å; W65-S68 WeakPolarHBondContact O-CB 3.43Å; W65-S68 PolarHBondContact O-N 3.28Å; S68-I123 WeakPolarHBondContact OG-CG1 3.46Å; S68-R126 WeakPolarHBondContact O-CG 3.37Å; S68-R126 PolarHBondContact O-NE 2.9Å |
| 69 | V | 93.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -75 | -52.1 | 173.4 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | I33 W65 S66 L67 F72 Y292 Y293 | I33-V69 HydrophobicContact CD1-CG1 4.07Å; I33-V69 HydrophobicContact CD1-CG2 4.09Å; I33-V69 HydrophobicContact CG1-CG1 4.35Å; I33-V69 HydrophobicContact CG1-CG2 4.2Å; W65-V69 HydrophobicContact CD2-CG2 4.18Å; W65-V69 HydrophobicContact CH2-CG2 4.28Å; W65-V69 HydrophobicContact CZ2-CG2 3.72Å; W65-V69 PolarHBondContact O-N 3.28Å; S66-V69 PolarHBondContact O-N 3.04Å; L67-V69 VanDerWaalsContact C-N 3.26Å; L67-V69 PolarHBondContact O-N 2.89Å; V69-F72 WeakPolarHBondContact O-CB 3.35Å; V69-Y292 HydrophobicContact CG1-CD1 4.37Å; V69-Y292 HydrophobicContact CG1-CD2 3.63Å; V69-Y292 HydrophobicContact CG1-CE2 4.06Å; V69-Y292 HydrophobicContact CG1-CG 3.81Å; V69-Y293 HydrophobicContact CG2-CE1 4.49Å |
| 70 | A | 93.5 | Very high | 94 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -74.9 | -27.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S66 L67 F72 S73 V74 F416 M420 | S66-A70 WeakPolarHBondContact O-CB 3.38Å; S66-A70 PolarHBondContact O-N 3.3Å; L67-A70 PolarHBondContact O-N 2.9Å; A70-F72 PolarHBondContact O-N 3.48Å; A70-F72 VanDerWaalsContact O-N 3.15Å; A70-S73 WeakPolarHBondContact O-CB 3.07Å; A70-S73 PolarHBondContact O-N 3.27Å; A70-V74 PolarHBondContact O-N 3.47Å; A70-F416 HydrophobicContact CB-CD2 3.82Å; A70-F416 HydrophobicContact CB-CE2 3.89Å; A70-F416 WeakPolarHBondContact O-CD2 3.31Å; A70-M420 HydrophobicContact CB-CB 3.87Å; A70-M420 HydrophobicContact CB-SD 4.18Å |
| 71 | I | 96.9 | Very high | 93.6 | Very high | 31 Ų | 31 | 22.5 Ų | 22.5 | 16% | 0.159 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -25.6 | 178.3 | -160.9 | 75.9 | 0 | 0 | 0 | 112.1 | L67 S73 V74 G75 I123 R126 F127 | L67-I71 HydrophobicContact CD1-CB 4.48Å; L67-I71 HydrophobicContact CD1-CD1 4.22Å; L67-I71 WeakPolarHBondContact O-CB 3.37Å; L67-I71 WeakPolarHBondContact O-CG2 3.41Å; L67-I71 PolarHBondContact O-N 3.17Å; I71-S73 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3.43Å; I71-V74 HydrophobicContact CD1-CB 4.47Å; I71-V74 HydrophobicContact CD1-CG2 4.48Å; I71-V74 WeakPolarHBondContact O-CB 3.37Å; I71-V74 PolarHBondContact O-N 3.32Å; I71-G75 PolarHBondContact O-N 2.96Å; I71-I123 HydrophobicContact CB-CG2 4.48Å; I71-I123 HydrophobicContact CG1-CG2 4.29Å; I71-I123 HydrophobicContact CG2-CG2 4.13Å; I71-I123 WeakPolarHBondContact CG2-O 3.47Å; I71-R126 HydrophobicContact CG2-CB 3.64Å; I71-F127 HydrophobicContact CD1-CD2 4.46Å; I71-F127 HydrophobicContact CG1-CB 3.79Å; I71-F127 HydrophobicContact CG1-CD2 4.05Å; I71-F127 HydrophobicContact CG1-CG 4.32Å |
| 72 | F | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.1 | -43.3 | 170.4 | 172.9 | -102.5 | 0 | 0 | 0 | 111.8 | N29 V69 A70 G75 G76 R126 I129 G130 C133 W412 | N29-F72 HydrophobicContact CB-CE2 3.91Å; N29-F72 HydrophobicContact CB-CZ 4.27Å; V69-F72 WeakPolarHBondContact O-CB 3.35Å; A70-F72 PolarHBondContact O-N 3.48Å; A70-F72 VanDerWaalsContact O-N 3.15Å; F72-G75 PolarHBondContact O-N 3.01Å; F72-G76 PolarHBondContact O-N 2.96Å; F72-R126 WeakPolarHBondContact CA-O 3.42Å; F72-I129 HydrophobicContact CD2-CG2 4.03Å; F72-I129 HydrophobicContact CE2-CG2 4.28Å; F72-G130 WeakPolarHBondContact O-CA 3.43Å; F72-C133 HydrophobicContact CE2-CB 3.75Å; F72-C133 HydrophobicContact CZ-CB 3.66Å; F72-W412 HydrophobicContact CD1-CZ3 4.25Å; F72-W412 HydrophobicContact CE1-CH2 4.01Å; F72-W412 AromaticContact CE1-CZ3 3.91Å; F72-W412 HydrophobicContact CE1-CZ3 3.91Å; F72-W412 HydrophobicContact CZ-CH2 4.35Å |
| 73 | S | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.5 | -33.1 | 179.7 | -51.3 | 0 | 0 | 0 | 0 | 112 | A70 I71 G76 M77 N415 | A70-S73 WeakPolarHBondContact O-CB 3.07Å; A70-S73 PolarHBondContact O-N 3.27Å; I71-S73 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3.43Å; S73-G76 PolarHBondContact O-N 3.27Å; S73-M77 WeakPolarHBondContact O-CB 3.4Å; S73-M77 PolarHBondContact O-N 3.21Å; S73-N415 PolarHBondContact OG-OD1 3.29Å |
| 74 | V | 95.6 | Very high | 92.4 | Very high | 34 Ų | 34 | 22.1 Ų | 22.1 | 21% | 0.206 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 170.7 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | A70 I71 M77 I78 F127 F416 | A70-V74 PolarHBondContact O-N 3.47Å; I71-V74 HydrophobicContact CD1-CB 4.47Å; I71-V74 HydrophobicContact CD1-CG2 4.48Å; I71-V74 WeakPolarHBondContact O-CB 3.37Å; I71-V74 PolarHBondContact O-N 3.32Å; V74-M77 HydrophobicContact CG1-CE 4.32Å; V74-M77 WeakPolarHBondContact O-CB 3.15Å; V74-M77 PolarHBondContact O-N 3.23Å; V74-I78 PolarHBondContact O-N 3.36Å; V74-F127 HydrophobicContact CG1-CE2 4.23Å; V74-F416 HydrophobicContact CG2-CD2 3.5Å; V74-F416 HydrophobicContact CG2-CE2 3.57Å; V74-F416 HydrophobicContact CG2-CG 4.33Å; V74-F416 HydrophobicContact CG2-CZ 4.45Å |
| 75 | G | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.7 | -49.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I71 F72 M77 I78 G79 G130 V131 | I71-G75 PolarHBondContact O-N 2.96Å; F72-G75 PolarHBondContact O-N 3.01Å; G75-M77 VanDerWaalsContact C-N 3.28Å; G75-M77 PolarHBondContact O-N 3.44Å; G75-I78 PolarHBondContact O-N 3.09Å; G75-I78 VanDerWaalsContact O-N 3.15Å; G75-G79 PolarHBondContact O-N 3.32Å; G75-G130 CarbonylContact C-O 3.41Å; G75-V131 VanDerWaalsContact C-N 3.32Å; G75-V131 VanDerWaalsContact O-CA 3.25Å; G75-V131 WeakPolarHBondContact O-CA 3.18Å |
| 76 | G | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.9 | -39.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | F72 S73 G79 S80 G130 G134 W412 | F72-G76 PolarHBondContact O-N 2.96Å; S73-G76 PolarHBondContact O-N 3.27Å; G76-G79 PolarHBondContact O-N 2.96Å; G76-S80 VanDerWaalsContact O-CB 3.31Å; G76-S80 WeakPolarHBondContact O-CB 3.34Å; G76-S80 PolarHBondContact O-N 3.01Å; G76-S80 PolarHBondContact O-OG 2.78Å; G76-G130 WeakPolarHBondContact CA-O 3.34Å; G76-G130 VanDerWaalsContact N-C 3.28Å; G76-G130 PolarHBondContact N-O 2.78Å; G76-G134 WeakPolarHBondContact O-CA 3.5Å; G76-W412 PolarHBondContact O-NE1 2.7Å |
| 77 | M | 92.2 | Very high | 91.5 | Very high | 46 Ų | 46 | 27.9 Ų | 27.9 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.8 | -55.4 | 172.8 | -170.9 | 177.1 | 65.3 | 0 | 0 | 111.3 | S73 V74 G75 G79 S80 F81 F409 W412 T413 | S73-M77 WeakPolarHBondContact O-CB 3.4Å; S73-M77 PolarHBondContact O-N 3.21Å; V74-M77 HydrophobicContact CG1-CE 4.32Å; V74-M77 WeakPolarHBondContact O-CB 3.15Å; V74-M77 PolarHBondContact O-N 3.23Å; G75-M77 VanDerWaalsContact C-N 3.28Å; G75-M77 PolarHBondContact O-N 3.44Å; M77-G79 VanDerWaalsContact C-N 3.32Å; M77-G79 PolarHBondContact O-N 3.2Å; M77-S80 PolarHBondContact O-N 3.22Å; M77-S80 PolarHBondContact O-OG 3.47Å; M77-F81 WeakPolarHBondContact O-CD2 3.45Å; M77-F81 PolarHBondContact O-N 2.98Å; M77-F409 HydrophobicContact CG-CD2 3.56Å; M77-F409 HydrophobicContact CG-CE2 3.83Å; M77-F409 HydrophobicContact SD-CD2 3.68Å; M77-F409 HydrophobicContact SD-CE2 3.33Å; M77-F409 WeakPolarHBondContact SD-CE2 3.33Å; M77-F409 HydrophobicContact SD-CZ 4.39Å; M77-W412 HydrophobicContact CB-CB 3.88Å; M77-W412 HydrophobicContact CG-CB 4.39Å; M77-T413 PolarHBondContact SD-OG1 3.5Å |
| 78 | I | 93.3 | Very high | 91 | Very high | 76 Ų | 76 | 28.9 Ų | 28.9 | 39% | 0.39 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 179.2 | -64.2 | 171.2 | 0 | 0 | 0 | 111.2 | V74 G75 S82 F127 | V74-I78 PolarHBondContact O-N 3.36Å; G75-I78 PolarHBondContact O-N 3.09Å; G75-I78 VanDerWaalsContact O-N 3.15Å; I78-S82 WeakPolarHBondContact O-CB 3.29Å; I78-S82 PolarHBondContact O-N 3.4Å; I78-S82 PolarHBondContact O-OG 3.44Å; I78-F127 HydrophobicContact CD1-CE2 3.85Å; I78-F127 HydrophobicContact CD1-CZ 3.82Å |
| 79 | G | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -49.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G75 G76 M77 F81 S82 V83 V131 L135 | G75-G79 PolarHBondContact O-N 3.32Å; G76-G79 PolarHBondContact O-N 2.96Å; M77-G79 VanDerWaalsContact C-N 3.32Å; M77-G79 PolarHBondContact O-N 3.2Å; G79-F81 PolarHBondContact O-N 3.14Å; G79-S82 PolarHBondContact O-N 3.06Å; G79-V83 PolarHBondContact O-N 3.24Å; G79-V131 WeakPolarHBondContact CA-O 3.17Å; G79-L135 WeakPolarHBondContact O-CD2 3.24Å; G79-L135 WeakPolarHBondContact O-CG 3.47Å |
| 80 | S | 87.3 | Confident | 90.5 | Very high | 18 Ų | 18 | 41 Ų | 41 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.4 | -36.8 | -178.6 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | G76 M77 S82 V83 G134 W412 | G76-S80 VanDerWaalsContact O-CB 3.31Å; G76-S80 WeakPolarHBondContact O-CB 3.34Å; G76-S80 PolarHBondContact O-N 3.01Å; G76-S80 PolarHBondContact O-OG 2.78Å; M77-S80 PolarHBondContact O-N 3.22Å; M77-S80 PolarHBondContact O-OG 3.47Å; S80-S82 VanDerWaalsContact C-N 3.29Å; S80-S82 PolarHBondContact O-N 3.01Å; S80-V83 WeakPolarHBondContact O-CG2 3.35Å; S80-G134 WeakPolarHBondContact CA-O 3.49Å; S80-W412 VanDerWaalsContact OG-CD1 3.26Å |
| 81 | F | 86.1 | Confident | 90.4 | Very high | 85 Ų | 85 | 41 Ų | 41 | 37% | 0.373 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.8 | -35.2 | 171.1 | -90.8 | -87 | 0 | 0 | 0 | 113.1 | M77 G79 V83 I259 F409 | M77-F81 WeakPolarHBondContact O-CD2 3.45Å; M77-F81 PolarHBondContact O-N 2.98Å; G79-F81 PolarHBondContact O-N 3.14Å; F81-V83 VanDerWaalsContact C-N 3.25Å; F81-V83 PolarHBondContact O-N 2.9Å; F81-I259 HydrophobicContact CE1-CD1 4.07Å; F81-F409 HydrophobicContact CD2-CB 4.48Å; F81-F409 HydrophobicContact CD2-CD2 4.28Å; F81-F409 HydrophobicContact CE2-CB 3.28Å; F81-F409 AromaticContact CE2-CD2 3.24Å; F81-F409 HydrophobicContact CE2-CD2 3.24Å; F81-F409 HydrophobicContact CE2-CE2 4.17Å; F81-F409 AromaticContact CE2-CG 3.46Å; F81-F409 HydrophobicContact CE2-CG 3.46Å; F81-F409 VanDerWaalsContact CE2-CG 3.46Å; F81-F409 HydrophobicContact CZ-CB 3.45Å; F81-F409 VanDerWaalsContact CZ-CB 3.45Å; F81-F409 HydrophobicContact CZ-CD1 4.46Å; F81-F409 AromaticContact CZ-CD2 3.78Å; F81-F409 HydrophobicContact CZ-CD2 3.78Å; F81-F409 AromaticContact CZ-CG 3.63Å; F81-F409 HydrophobicContact CZ-CG 3.63Å |
| 82 | S | 89.1 | Confident | 90.1 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -79.8 | -8.7 | -173.1 | -58 | 0 | 0 | 0 | 0 | 112.8 | I78 G79 S80 G84 L85 F86 | I78-S82 WeakPolarHBondContact O-CB 3.29Å; I78-S82 PolarHBondContact O-N 3.4Å; I78-S82 PolarHBondContact O-OG 3.44Å; G79-S82 PolarHBondContact O-N 3.06Å; S80-S82 VanDerWaalsContact C-N 3.29Å; S80-S82 PolarHBondContact O-N 3.01Å; S82-G84 VanDerWaalsContact C-N 3.3Å; S82-G84 PolarHBondContact O-N 2.98Å; S82-L85 WeakPolarHBondContact O-CB 3.34Å; S82-L85 PolarHBondContact O-N 2.94Å; S82-L85 VanDerWaalsContact O-N 3.07Å; S82-F86 VanDerWaalsContact O-CD2 3.28Å; S82-F86 WeakPolarHBondContact O-CD2 3.49Å |
| 83 | V | 86.3 | Confident | 90.1 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -49 | -49.6 | -178.7 | 168.4 | 0 | 0 | 0 | 0 | 112.1 | G79 S80 F81 L85 F86 V87 L135 F139 M142 | G79-V83 PolarHBondContact O-N 3.24Å; S80-V83 WeakPolarHBondContact O-CG2 3.35Å; F81-V83 VanDerWaalsContact C-N 3.25Å; F81-V83 PolarHBondContact O-N 2.9Å; V83-L85 PolarHBondContact O-N 3.44Å; V83-F86 PolarHBondContact O-N 3.15Å; V83-V87 HydrophobicContact CG1-CG1 4.09Å; V83-V87 WeakPolarHBondContact O-CG2 3.35Å; V83-V87 PolarHBondContact O-N 2.97Å; V83-V87 VanDerWaalsContact O-N 3.1Å; V83-L135 HydrophobicContact CG2-CD2 4.22Å; V83-F139 HydrophobicContact CB-CE1 4.25Å; V83-F139 HydrophobicContact CG1-CD1 3.94Å; V83-F139 HydrophobicContact CG1-CE1 3.97Å; V83-F139 HydrophobicContact CG2-CD1 4.41Å; V83-F139 HydrophobicContact CG2-CE1 4.24Å; V83-M142 HydrophobicContact CG1-CE 4.48Å |
| 84 | G | 81.1 | Confident | 90.2 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 37% | 0.371 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -29.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | S82 N88 | S82-G84 VanDerWaalsContact C-N 3.3Å; S82-G84 PolarHBondContact O-N 2.98Å; G84-N88 WeakPolarHBondContact O-CB 3.3Å; G84-N88 PolarHBondContact O-ND2 3.17Å |
| 85 | L | 87.4 | Confident | 90.2 | Very high | 101 Ų | 101 | 43.5 Ų | 43.5 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.9 | -48 | 178.3 | -172.5 | 164.1 | 0 | 0 | 0 | 110.3 | S82 V83 R89 | S82-L85 WeakPolarHBondContact O-CB 3.34Å; S82-L85 PolarHBondContact O-N 2.94Å; S82-L85 VanDerWaalsContact O-N 3.07Å; V83-L85 PolarHBondContact O-N 3.44Å; L85-R89 VanDerWaalsContact O-CB 3.24Å; L85-R89 WeakPolarHBondContact O-CB 3.36Å; L85-R89 PolarHBondContact O-N 2.58Å |
| 86 | F | 89.7 | Confident | 90.2 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75 | -50.4 | -175.2 | -67.3 | -83 | 0 | 0 | 0 | 112.2 | S82 V83 N88 R89 F90 S95 M99 L135 F139 | S82-F86 VanDerWaalsContact O-CD2 3.28Å; S82-F86 WeakPolarHBondContact O-CD2 3.49Å; V83-F86 PolarHBondContact O-N 3.15Å; F86-N88 VanDerWaalsContact C-N 3.27Å; F86-N88 PolarHBondContact O-N 3.32Å; F86-R89 PolarHBondContact O-N 3.14Å; F86-F90 HydrophobicContact CB-CD2 4.33Å; F86-F90 AromaticContact CD1-CD2 3.8Å; F86-F90 HydrophobicContact CD1-CD2 3.8Å; F86-F90 AromaticContact CD1-CE2 3.71Å; F86-F90 HydrophobicContact CD1-CE2 3.71Å; F86-F90 HydrophobicContact CE1-CE2 4.22Å; F86-F90 PolarHBondContact O-N 2.84Å; F86-S95 WeakPolarHBondContact CB-OG 3.3Å; F86-S95 PolarHBondContact O-OG 3.43Å; F86-S95 VanDerWaalsContact O-OG 3.09Å; F86-M99 HydrophobicContact CD1-CE 3.96Å; F86-M99 HydrophobicContact CE1-CE 3.63Å; F86-M99 HydrophobicContact CE1-SD 4.33Å; F86-M99 HydrophobicContact CZ-CE 4.2Å; F86-M99 HydrophobicContact CZ-SD 4.39Å; F86-L135 HydrophobicContact CD2-CD2 3.76Å; F86-L135 HydrophobicContact CE2-CD2 4.05Å; F86-F139 HydrophobicContact CB-CE1 4.16Å; F86-F139 HydrophobicContact CB-CZ 3.78Å; F86-F139 HydrophobicContact CD2-CZ 4.47Å; F86-F139 HydrophobicContact CG-CZ 4.32Å |
| 87 | V | 85.9 | Confident | 90.4 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -29.8 | -172.3 | -60.8 | 0 | 0 | 0 | 0 | 113.8 | V83 G91 R92 F139 M142 | V83-V87 HydrophobicContact CG1-CG1 4.09Å; V83-V87 WeakPolarHBondContact O-CG2 3.35Å; V83-V87 PolarHBondContact O-N 2.97Å; V83-V87 VanDerWaalsContact O-N 3.1Å; V87-G91 WeakPolarHBondContact O-CA 3.42Å; V87-G91 PolarHBondContact O-N 3.3Å; V87-R92 PolarHBondContact O-NH1 3.41Å; V87-F139 HydrophobicContact CG1-CD1 3.36Å; V87-F139 HydrophobicContact CG1-CE1 3.43Å; V87-F139 VanDerWaalsContact CG1-CE1 3.43Å; V87-F139 HydrophobicContact CG1-CG 4.44Å; V87-M142 HydrophobicContact CB-SD 3.96Å; V87-M142 HydrophobicContact CG1-SD 4.03Å; V87-M142 HydrophobicContact CG2-CE 4.14Å; V87-M142 HydrophobicContact CG2-SD 3.86Å |
| 88 | N | 84.2 | Confident | 90.7 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 43% | 0.428 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -86.1 | -29.9 | 179.4 | -69.1 | -51.4 | 0 | 0 | 0 | 112.5 | G84 F86 N217 | G84-N88 WeakPolarHBondContact O-CB 3.3Å; G84-N88 PolarHBondContact O-ND2 3.17Å; F86-N88 VanDerWaalsContact C-N 3.27Å; F86-N88 PolarHBondContact O-N 3.32Å; N88-N217 PolarHBondContact OD1-ND2 3.25Å |
| 89 | R | 88.2 | Confident | 90.8 | Very high | 190 Ų | 190 | 45 Ų | 45 | 72% | 0.717 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -85.8 | -44.4 | -178.7 | -169.9 | 174.2 | -174.4 | 175.2 | 1.8 | 112.7 | L85 F86 | L85-R89 VanDerWaalsContact O-CB 3.24Å; L85-R89 WeakPolarHBondContact O-CB 3.36Å; L85-R89 PolarHBondContact O-N 2.58Å; F86-R89 PolarHBondContact O-N 3.14Å |
| 90 | F | 92.1 | Very high | 91.1 | Very high | 66 Ų | 66 | 45 Ų | 45 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -15.7 | -171.8 | -55.7 | -64.5 | 0 | 0 | 0 | 113.7 | F86 N94 M98 | F86-F90 HydrophobicContact CB-CD2 4.33Å; F86-F90 AromaticContact CD1-CD2 3.8Å; F86-F90 HydrophobicContact CD1-CD2 3.8Å; F86-F90 AromaticContact CD1-CE2 3.71Å; F86-F90 HydrophobicContact CD1-CE2 3.71Å; F86-F90 HydrophobicContact CE1-CE2 4.22Å; F86-F90 PolarHBondContact O-N 2.84Å; F90-N94 HydrophobicContact CB-CB 4.45Å; F90-N94 WeakPolarHBondContact O-CB 3.37Å; F90-N94 PolarHBondContact O-ND2 3.44Å; F90-M98 HydrophobicContact CD1-CE 4.07Å; F90-M98 HydrophobicContact CD2-CE 4.27Å; F90-M98 HydrophobicContact CE1-CE 4.25Å; F90-M98 HydrophobicContact CE2-CE 4.45Å; F90-M98 HydrophobicContact CG-CE 4.07Å; F90-M98 HydrophobicContact CZ-CE 4.44Å |
| 91 | G | 90.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | 92.5 | 169.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V87 S95 | V87-G91 WeakPolarHBondContact O-CA 3.42Å; V87-G91 PolarHBondContact O-N 3.3Å; G91-S95 VanDerWaalsContact O-CB 3.26Å; G91-S95 WeakPolarHBondContact O-CB 3.44Å; G91-S95 PolarHBondContact O-N 3.2Å; G91-S95 PolarHBondContact O-OG 3.33Å | ||
| 92 | R | 90.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -77.4 | -50.9 | -171.2 | -74.3 | 60.7 | 163.3 | 153.7 | -6.9 | 110.3 | V87 S95 M96 M142 Y143 E146 E209 | V87-R92 PolarHBondContact O-NH1 3.41Å; R92-S95 PolarHBondContact O-N 3Å; R92-M96 PolarHBondContact O-N 2.92Å; R92-M142 HydrophobicContact CG-CG 4.2Å; R92-M142 HydrophobicContact CG-SD 4.05Å; R92-Y143 HydrophobicContact CB-CD2 3.75Å; R92-Y143 HydrophobicContact CB-CG 4.44Å; R92-E146 WeakPolarHBondContact CD-OE2 3.5Å; R92-E146 IonicContact CZ-OE1 3.7Å; R92-E146 IonicContact CZ-OE2 2.78Å; R92-E146 IonicContact NE-OE1 2.79Å; R92-E146 PolarHBondContact NE-OE1 3.38Å; R92-E146 IonicContact NE-OE2 3.76Å; R92-E146 PolarHBondContact NE-OE2 3.38Å; R92-E146 IonicContact NH2-OE1 2.9Å; R92-E146 PolarHBondContact NH2-OE1 3.37Å; R92-E146 IonicContact NH2-OE2 3.5Å; R92-E209 PolarHBondContact N-OE1 3.06Å |
| 93 | R | 96.6 | Very high | 92.6 | Very high | 53 Ų | 53 | 45.8 Ų | 45.8 | 20% | 0.2 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -47.4 | 179.9 | -177.3 | -151.7 | 83.3 | 154.2 | 7.2 | 111.5 | S95 M96 L97 Y143 L204 P205 C207 E209 | R93-S95 VanDerWaalsContact C-N 3.32Å; R93-S95 PolarHBondContact O-N 2.92Å; R93-M96 PolarHBondContact O-N 3.37Å; R93-L97 PolarHBondContact O-N 2.98Å; R93-Y143 HydrophobicContact CB-CE2 4.06Å; R93-L204 VanDerWaalsContact CD-O 3.29Å; R93-L204 WeakPolarHBondContact CD-O 3.22Å; R93-L204 HydrophobicContact CG-CB 4.49Å; R93-L204 HydrophobicContact CG-CD2 4.41Å; R93-P205 PolarHBondContact NH1-O 3.06Å; R93-C207 WeakPolarHBondContact CD-O 3.46Å; R93-C207 PolarHBondContact NH1-O 3.4Å; R93-E209 WeakPolarHBondContact CB-OE1 3.32Å; R93-E209 WeakPolarHBondContact CB-OE2 3.35Å; R93-E209 PolarHBondContact N-OE1 3.37Å |
| 94 | N | 96.3 | Very high | 93.2 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67 | -33.6 | -178.9 | -63.7 | -24.2 | 0 | 0 | 0 | 112.6 | F90 L97 M98 E209 | F90-N94 HydrophobicContact CB-CB 4.45Å; F90-N94 WeakPolarHBondContact O-CB 3.37Å; F90-N94 PolarHBondContact O-ND2 3.44Å; N94-L97 PolarHBondContact O-N 2.88Å; N94-M98 WeakPolarHBondContact O-CB 3.13Å; N94-M98 PolarHBondContact O-N 2.88Å; N94-E209 PolarHBondContact ND2-OE2 3.37Å |
| 95 | S | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | 174.3 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | F86 G91 R92 R93 L97 M98 M99 | F86-S95 WeakPolarHBondContact CB-OG 3.3Å; F86-S95 PolarHBondContact O-OG 3.43Å; F86-S95 VanDerWaalsContact O-OG 3.09Å; G91-S95 VanDerWaalsContact O-CB 3.26Å; G91-S95 WeakPolarHBondContact O-CB 3.44Å; G91-S95 PolarHBondContact O-N 3.2Å; G91-S95 PolarHBondContact O-OG 3.33Å; R92-S95 PolarHBondContact O-N 3Å; R93-S95 VanDerWaalsContact C-N 3.32Å; R93-S95 PolarHBondContact O-N 2.92Å; S95-L97 PolarHBondContact O-N 3.05Å; S95-M98 PolarHBondContact O-N 3.48Å; S95-M99 VanDerWaalsContact O-CG 3.29Å; S95-M99 WeakPolarHBondContact O-CG 3.44Å; S95-M99 PolarHBondContact O-N 3.23Å |
| 96 | M | 97 | Very high | 94.5 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.7 | -65.8 | 162.5 | 52.6 | 0 | 0 | 112.1 | A19 R92 R93 M98 M99 N100 F139 Y143 L204 | A19-M96 VanDerWaalsContact CA-CE 3.41Å; A19-M96 HydrophobicContact CB-CE 3.6Å; R92-M96 PolarHBondContact O-N 2.92Å; R93-M96 PolarHBondContact O-N 3.37Å; M96-M98 PolarHBondContact O-N 3Å; M96-M99 PolarHBondContact O-N 3.13Å; M96-N100 PolarHBondContact O-N 3.43Å; M96-N100 PolarHBondContact O-ND2 3.4Å; M96-N100 VanDerWaalsContact O-ND2 3.16Å; M96-F139 HydrophobicContact CG-CB 3.67Å; M96-F139 HydrophobicContact CG-CD2 3.81Å; M96-F139 HydrophobicContact CG-CG 4.13Å; M96-F139 HydrophobicContact SD-CB 4.29Å; M96-Y143 HydrophobicContact SD-CG 4.26Å; M96-L204 HydrophobicContact CB-CD1 3.71Å; M96-L204 HydrophobicContact CE-CD1 4.25Å; M96-L204 HydrophobicContact CE-CD2 3.8Å |
| 97 | L | 97.8 | Very high | 94.9 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 178.1 | -180 | 60.8 | 0 | 0 | 0 | 111.8 | R93 N94 S95 M99 N100 C201 L204 P205 | R93-L97 PolarHBondContact O-N 2.98Å; N94-L97 PolarHBondContact O-N 2.88Å; S95-L97 PolarHBondContact O-N 3.05Å; L97-M99 VanDerWaalsContact C-N 3.34Å; L97-M99 PolarHBondContact O-N 3.46Å; L97-N100 WeakPolarHBondContact O-CB 3.32Å; L97-N100 PolarHBondContact O-N 3.19Å; L97-C201 HydrophobicContact CD1-CB 4.22Å; L97-L204 HydrophobicContact CB-CB 4.44Å; L97-L204 HydrophobicContact CB-CD1 4.01Å; L97-L204 HydrophobicContact CD1-CB 4.34Å; L97-P205 HydrophobicContact CD2-CG 4.29Å |
| 98 | M | 97.1 | Very high | 95.5 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 41% | 0.414 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.4 | -38.7 | -179.4 | -171.1 | -173.9 | -62.1 | 0 | 0 | 112.1 | F90 N94 S95 M96 N100 L101 | F90-M98 HydrophobicContact CD1-CE 4.07Å; F90-M98 HydrophobicContact CD2-CE 4.27Å; F90-M98 HydrophobicContact CE1-CE 4.25Å; F90-M98 HydrophobicContact CE2-CE 4.45Å; F90-M98 HydrophobicContact CG-CE 4.07Å; F90-M98 HydrophobicContact CZ-CE 4.44Å; N94-M98 WeakPolarHBondContact O-CB 3.13Å; N94-M98 PolarHBondContact O-N 2.88Å; S95-M98 PolarHBondContact O-N 3.48Å; M96-M98 PolarHBondContact O-N 3Å; M98-N100 PolarHBondContact O-N 3.4Å; M98-L101 VanDerWaalsContact O-CB 3.31Å; M98-L101 WeakPolarHBondContact O-CB 3.32Å; M98-L101 PolarHBondContact O-N 3.02Å |
| 99 | M | 96.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.069 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72 | -14.8 | -176.7 | -69.4 | -52.4 | 101 | 0 | 0 | 113.8 | F86 S95 M96 L97 L101 L102 Y132 L135 F139 | F86-M99 HydrophobicContact CD1-CE 3.96Å; F86-M99 HydrophobicContact CE1-CE 3.63Å; F86-M99 HydrophobicContact CE1-SD 4.33Å; F86-M99 HydrophobicContact CZ-CE 4.2Å; F86-M99 HydrophobicContact CZ-SD 4.39Å; S95-M99 VanDerWaalsContact O-CG 3.29Å; S95-M99 WeakPolarHBondContact O-CG 3.44Å; S95-M99 PolarHBondContact O-N 3.23Å; M96-M99 PolarHBondContact O-N 3.13Å; L97-M99 VanDerWaalsContact C-N 3.34Å; L97-M99 PolarHBondContact O-N 3.46Å; M99-L101 PolarHBondContact O-N 2.88Å; M99-L101 VanDerWaalsContact O-N 3.08Å; M99-L102 WeakPolarHBondContact O-CB 3.38Å; M99-L102 PolarHBondContact O-N 3.31Å; M99-L102 HydrophobicContact SD-CD1 3.73Å; M99-L102 HydrophobicContact SD-CG 4.28Å; M99-Y132 HydrophobicContact CB-CD2 3.97Å; M99-Y132 HydrophobicContact CB-CE2 4.17Å; M99-Y132 VanDerWaalsContact O-CD2 3.23Å; M99-Y132 WeakPolarHBondContact O-CD2 3.36Å; M99-L135 HydrophobicContact CG-CD1 3.88Å; M99-L135 HydrophobicContact SD-CD1 3.55Å; M99-L135 VanDerWaalsContact SD-CD1 3.55Å; M99-F139 HydrophobicContact CB-CE2 4.41Å; M99-F139 HydrophobicContact CG-CE2 3.69Å; M99-F139 HydrophobicContact CG-CZ 4.32Å |
| 100 | N | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.4 | -22.7 | 169.3 | -81 | -62 | 0 | 0 | 0 | 112.8 | M96 L97 M98 L102 A103 F104 A197 Q200 C201 | M96-N100 PolarHBondContact O-N 3.43Å; M96-N100 PolarHBondContact O-ND2 3.4Å; M96-N100 VanDerWaalsContact O-ND2 3.16Å; L97-N100 WeakPolarHBondContact O-CB 3.32Å; L97-N100 PolarHBondContact O-N 3.19Å; M98-N100 PolarHBondContact O-N 3.4Å; N100-L102 VanDerWaalsContact C-N 3.27Å; N100-L102 PolarHBondContact O-N 3Å; N100-A103 WeakPolarHBondContact O-CB 3.34Å; N100-A103 PolarHBondContact O-N 3.19Å; N100-A103 VanDerWaalsContact O-N 3.13Å; N100-F104 HydrophobicContact CB-CE2 4.35Å; N100-F104 WeakPolarHBondContact O-CD2 3.45Å; N100-F104 PolarHBondContact O-N 2.68Å; N100-A197 WeakPolarHBondContact OD1-CA 3.36Å; N100-A197 WeakPolarHBondContact OD1-CB 3.46Å; N100-Q200 PolarHBondContact ND2-OE1 3.36Å; N100-Q200 PolarHBondContact OD1-OE1 2.61Å; N100-C201 WeakPolarHBondContact CB-SG 3.48Å |
| 101 | L | 98.1 | Very high | 97 | Very high | 115 Ų | 115 | 32.4 Ų | 32.4 | 60% | 0.602 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -54.3 | -43.7 | 169.3 | 178.3 | 62.5 | 0 | 0 | 0 | 111.9 | M98 M99 A103 F104 V105 | M98-L101 VanDerWaalsContact O-CB 3.31Å; M98-L101 WeakPolarHBondContact O-CB 3.32Å; M98-L101 PolarHBondContact O-N 3.02Å; M99-L101 PolarHBondContact O-N 2.88Å; M99-L101 VanDerWaalsContact O-N 3.08Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.41Å; L101-F104 PolarHBondContact O-N 3.13Å; L101-V105 HydrophobicContact CD1-CG2 4.26Å; L101-V105 VanDerWaalsContact O-CG2 3.3Å; L101-V105 WeakPolarHBondContact O-CG2 3.47Å; L101-V105 PolarHBondContact O-N 2.98Å |
| 102 | L | 98.3 | Very high | 97.3 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 23% | 0.23 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 178.2 | -58 | -177 | 0 | 0 | 0 | 111.2 | M99 N100 V105 S106 I128 V131 L135 | M99-L102 WeakPolarHBondContact O-CB 3.38Å; M99-L102 PolarHBondContact O-N 3.31Å; M99-L102 HydrophobicContact SD-CD1 3.73Å; M99-L102 HydrophobicContact SD-CG 4.28Å; N100-L102 VanDerWaalsContact C-N 3.27Å; N100-L102 PolarHBondContact O-N 3Å; L102-V105 PolarHBondContact O-N 3.3Å; L102-S106 WeakPolarHBondContact O-CB 3.42Å; L102-S106 PolarHBondContact O-N 3.48Å; L102-I128 HydrophobicContact CB-CG2 3.98Å; L102-I128 HydrophobicContact CD2-CG2 4.29Å; L102-I128 WeakPolarHBondContact O-CG2 3.29Å; L102-V131 HydrophobicContact CD1-CB 4.48Å; L102-V131 HydrophobicContact CD1-CG1 4.03Å; L102-L135 HydrophobicContact CD1-CD1 4.18Å |
| 103 | A | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N100 L101 S106 A107 I129 Y132 A197 | N100-A103 WeakPolarHBondContact O-CB 3.34Å; N100-A103 PolarHBondContact O-N 3.19Å; N100-A103 VanDerWaalsContact O-N 3.13Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.41Å; A103-S106 PolarHBondContact O-N 3.05Å; A103-A107 WeakPolarHBondContact O-CB 3.37Å; A103-A107 PolarHBondContact O-N 3.31Å; A103-I129 HydrophobicContact CB-CD1 4.23Å; A103-Y132 HydrophobicContact CB-CD2 4.3Å; A103-Y132 HydrophobicContact CB-CE2 4.33Å; A103-Y132 HydrophobicContact CB-CG 4.44Å; A103-A197 HydrophobicContact CB-CB 3.94Å |
| 104 | F | 98.6 | Very high | 97.7 | Very high | 64 Ų | 64 | 37 Ų | 37 | 28% | 0.281 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 175 | -74.1 | -64.5 | 0 | 0 | 0 | 112.7 | N100 L101 S106 A107 V108 F194 A197 L198 | N100-F104 HydrophobicContact CB-CE2 4.35Å; N100-F104 WeakPolarHBondContact O-CD2 3.45Å; N100-F104 PolarHBondContact O-N 2.68Å; L101-F104 PolarHBondContact O-N 3.13Å; F104-S106 VanDerWaalsContact C-N 3.29Å; F104-S106 PolarHBondContact O-N 2.94Å; F104-A107 PolarHBondContact O-N 3.2Å; F104-V108 WeakPolarHBondContact O-CG2 3.4Å; F104-V108 PolarHBondContact O-N 3.4Å; F104-F194 HydrophobicContact CD1-CB 4.05Å; F104-F194 HydrophobicContact CE1-CB 4.05Å; F104-A197 HydrophobicContact CE1-CB 4.37Å; F104-A197 HydrophobicContact CE2-CB 4.27Å; F104-A197 HydrophobicContact CZ-CB 4.1Å; F104-L198 HydrophobicContact CE1-CB 4.32Å; F104-L198 HydrophobicContact CZ-CB 4Å; F104-L198 HydrophobicContact CZ-CD1 4.41Å |
| 105 | V | 98.6 | Very high | 97.7 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59 | -44.4 | 177.9 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | L101 L102 V108 L109 I128 | L101-V105 HydrophobicContact CD1-CG2 4.26Å; L101-V105 VanDerWaalsContact O-CG2 3.3Å; L101-V105 WeakPolarHBondContact O-CG2 3.47Å; L101-V105 PolarHBondContact O-N 2.98Å; L102-V105 PolarHBondContact O-N 3.3Å; V105-V108 PolarHBondContact O-N 2.83Å; V105-L109 HydrophobicContact CG1-CD1 3.99Å; V105-L109 WeakPolarHBondContact O-CG 3.36Å; V105-L109 PolarHBondContact O-N 3.21Å; V105-I128 HydrophobicContact CG1-CD1 3.92Å |
| 106 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -43.5 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | L102 A103 F104 V108 L109 M110 G125 I129 | L102-S106 WeakPolarHBondContact O-CB 3.42Å; L102-S106 PolarHBondContact O-N 3.48Å; A103-S106 PolarHBondContact O-N 3.05Å; F104-S106 VanDerWaalsContact C-N 3.29Å; F104-S106 PolarHBondContact O-N 2.94Å; S106-V108 VanDerWaalsContact C-N 3.26Å; S106-V108 PolarHBondContact O-N 2.91Å; S106-L109 PolarHBondContact O-N 2.93Å; S106-M110 WeakPolarHBondContact O-CG 3.48Å; S106-M110 PolarHBondContact O-N 2.87Å; S106-M110 VanDerWaalsContact OG-CE 3.31Å; S106-M110 WeakPolarHBondContact OG-CE 3.45Å; S106-G125 WeakPolarHBondContact CB-O 3.45Å; S106-G125 VanDerWaalsContact OG-C 3.3Å; S106-G125 PolarHBondContact OG-O 2.98Å; S106-I129 WeakPolarHBondContact OG-CB 3.3Å |
| 107 | A | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.1 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A103 F104 G111 S191 I193 F194 | A103-A107 WeakPolarHBondContact O-CB 3.37Å; A103-A107 PolarHBondContact O-N 3.31Å; F104-A107 PolarHBondContact O-N 3.2Å; A107-G111 WeakPolarHBondContact O-CA 3.4Å; A107-G111 PolarHBondContact O-N 3.26Å; A107-S191 WeakPolarHBondContact CB-O 3.3Å; A107-S191 WeakPolarHBondContact O-CB 3.37Å; A107-S191 PolarHBondContact O-OG 2.85Å; A107-I193 HydrophobicContact CB-CD1 4.22Å; A107-I193 HydrophobicContact CB-CG1 3.81Å; A107-F194 HydrophobicContact CB-CB 4.02Å |
| 108 | V | 98.5 | Very high | 97.6 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -50.7 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | F104 V105 S106 M110 G111 F112 | F104-V108 WeakPolarHBondContact O-CG2 3.4Å; F104-V108 PolarHBondContact O-N 3.4Å; V105-V108 PolarHBondContact O-N 2.83Å; S106-V108 VanDerWaalsContact C-N 3.26Å; S106-V108 PolarHBondContact O-N 2.91Å; V108-M110 PolarHBondContact O-N 2.86Å; V108-G111 PolarHBondContact O-N 3.47Å; V108-F112 HydrophobicContact CB-CD2 4.43Å; V108-F112 HydrophobicContact CG1-CD2 3.8Å; V108-F112 HydrophobicContact CG1-CE2 4.24Å; V108-F112 WeakPolarHBondContact O-CB 3.46Å; V108-F112 VanDerWaalsContact O-CD2 3.3Å; V108-F112 WeakPolarHBondContact O-CD2 3.33Å; V108-F112 PolarHBondContact O-N 2.72Å |
| 109 | L | 98.5 | Very high | 97.6 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | -179.1 | -73 | 172 | 0 | 0 | 0 | 112.6 | V105 S106 S113 M121 L124 I128 | V105-L109 HydrophobicContact CG1-CD1 3.99Å; V105-L109 WeakPolarHBondContact O-CG 3.36Å; V105-L109 PolarHBondContact O-N 3.21Å; S106-L109 PolarHBondContact O-N 2.93Å; L109-S113 WeakPolarHBondContact O-CB 3.43Å; L109-S113 PolarHBondContact O-N 3.32Å; L109-M121 HydrophobicContact CD2-CE 4.28Å; L109-L124 HydrophobicContact CD1-CB 4.48Å; L109-L124 HydrophobicContact CD1-CD2 4.03Å; L109-L124 HydrophobicContact CD1-CG 3.95Å; L109-I128 HydrophobicContact CD1-CD1 3.61Å |
| 110 | M | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.3 | -42.7 | 178.3 | -61.9 | -168.4 | -67.3 | 0 | 0 | 111.8 | S106 V108 F112 S113 R126 I129 L190 I193 | S106-M110 WeakPolarHBondContact O-CG 3.48Å; S106-M110 PolarHBondContact O-N 2.87Å; S106-M110 VanDerWaalsContact OG-CE 3.31Å; S106-M110 WeakPolarHBondContact OG-CE 3.45Å; V108-M110 PolarHBondContact O-N 2.86Å; M110-F112 PolarHBondContact O-N 2.69Å; M110-S113 WeakPolarHBondContact O-CB 3.47Å; M110-S113 PolarHBondContact O-N 3.37Å; M110-S113 PolarHBondContact O-OG 3.23Å; M110-R126 HydrophobicContact SD-CG 4.15Å; M110-I129 HydrophobicContact CE-CG2 4.35Å; M110-L190 HydrophobicContact CB-CB 3.83Å; M110-L190 HydrophobicContact CB-CD1 4.23Å; M110-L190 HydrophobicContact CE-CB 4.27Å; M110-L190 WeakPolarHBondContact CE-O 3.32Å; M110-L190 HydrophobicContact SD-CB 4.18Å; M110-L190 HydrophobicContact SD-CD1 4.43Å; M110-I193 HydrophobicContact CE-CD1 3.6Å |
| 111 | G | 97.6 | Very high | 97.7 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -35.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A107 V108 P187 | A107-G111 WeakPolarHBondContact O-CA 3.4Å; A107-G111 PolarHBondContact O-N 3.26Å; V108-G111 PolarHBondContact O-N 3.47Å; G111-P187 VanDerWaalsContact O-CB 3.25Å; G111-P187 WeakPolarHBondContact O-CB 3.4Å |
| 112 | F | 97.9 | Very high | 97.7 | Very high | 112 Ų | 112 | 42.9 Ų | 42.9 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 1.9 | 178.2 | -69.6 | -82.6 | 0 | 0 | 0 | 113.6 | V108 M110 K114 L115 G116 M121 | V108-F112 HydrophobicContact CB-CD2 4.43Å; V108-F112 HydrophobicContact CG1-CD2 3.8Å; V108-F112 HydrophobicContact CG1-CE2 4.24Å; V108-F112 WeakPolarHBondContact O-CB 3.46Å; V108-F112 VanDerWaalsContact O-CD2 3.3Å; V108-F112 WeakPolarHBondContact O-CD2 3.33Å; V108-F112 PolarHBondContact O-N 2.72Å; M110-F112 PolarHBondContact O-N 2.69Å; F112-K114 VanDerWaalsContact C-N 3.35Å; F112-K114 PolarHBondContact O-N 3.46Å; F112-L115 HydrophobicContact CD1-CD2 3.99Å; F112-L115 HydrophobicContact CE1-CD2 4.29Å; F112-L115 PolarHBondContact O-N 3.19Å; F112-G116 PolarHBondContact O-N 2.87Å; F112-M121 HydrophobicContact CB-CE 4.12Å |
| 113 | S | 97.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -40.2 | -179.5 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | F43 L109 M110 K117 S118 W186 | F43-S113 WeakPolarHBondContact CZ-O 3.34Å; L109-S113 WeakPolarHBondContact O-CB 3.43Å; L109-S113 PolarHBondContact O-N 3.32Å; M110-S113 WeakPolarHBondContact O-CB 3.47Å; M110-S113 PolarHBondContact O-N 3.37Å; M110-S113 PolarHBondContact O-OG 3.23Å; S113-K117 PolarHBondContact O-N 2.83Å; S113-K117 VanDerWaalsContact O-N 3.08Å; S113-S118 WeakPolarHBondContact CB-O 3.23Å; S113-S118 PolarHBondContact O-N 2.99Å; S113-W186 WeakPolarHBondContact OG-CH2 3.5Å |
| 114 | K | 97.1 | Very high | 97.8 | Very high | 51 Ų | 51 | 46 Ų | 46 | 22% | 0.222 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -46.9 | 175.8 | -169 | -179.1 | -179 | -174.7 | 0 | 111.7 | F43 F112 G116 K117 E183 D184 W186 P187 | F43-K114 HydrophobicContact CD2-CG 4.22Å; F43-K114 HydrophobicContact CE2-CB 4.37Å; F43-K114 HydrophobicContact CE2-CG 4.31Å; F112-K114 VanDerWaalsContact C-N 3.35Å; F112-K114 PolarHBondContact O-N 3.46Å; K114-G116 VanDerWaalsContact C-N 3.32Å; K114-G116 PolarHBondContact O-N 3.45Å; K114-K117 PolarHBondContact O-N 3.23Å; K114-K117 VanDerWaalsContact O-N 3.1Å; K114-E183 PolarHBondContact NZ-O 2.9Å; K114-D184 IonicContact NZ-OD1 3.81Å; K114-W186 HydrophobicContact CB-CH2 4.23Å; K114-W186 HydrophobicContact CB-CZ2 3.75Å; K114-W186 HydrophobicContact CD-CZ2 4.22Å; K114-W186 HydrophobicContact CG-CZ2 4.07Å; K114-P187 HydrophobicContact CB-CB 4.45Å; K114-P187 HydrophobicContact CB-CG 3.63Å; K114-P187 HydrophobicContact CD-CG 3.81Å; K114-P187 HydrophobicContact CG-CG 4.32Å |
| 115 | L | 95.9 | Very high | 97.8 | Very high | 133 Ų | 133 | 43 Ų | 43 | 70% | 0.696 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -40.4 | 178.1 | -88.9 | 67.3 | 0 | 0 | 0 | 111.5 | F112 K117 | F112-L115 HydrophobicContact CD1-CD2 3.99Å; F112-L115 HydrophobicContact CE1-CD2 4.29Å; F112-L115 PolarHBondContact O-N 3.19Å; L115-K117 PolarHBondContact O-N 3.23Å |
| 116 | G | 95.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 47% | 0.474 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -1.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F112 K114 S118 | F112-G116 PolarHBondContact O-N 2.87Å; K114-G116 VanDerWaalsContact C-N 3.32Å; K114-G116 PolarHBondContact O-N 3.45Å; G116-S118 PolarHBondContact O-N 3.43Å |
| 117 | K | 96.8 | Very high | 97.8 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.8 | 50.4 | -173.5 | -57.7 | -172.9 | -173.9 | -176.2 | 0 | 111.9 | T47 H50 R51 S113 K114 L115 | T47-K117 HydrophobicContact CG2-CB 4.41Å; T47-K117 WeakPolarHBondContact CG2-O 3.43Å; H50-K117 PolarHBondContact CD2-NZ 3.21Å; H50-K117 PolarHBondContact NE2-NZ 3.34Å; R51-K117 PolarHBondContact NH2-O 2.95Å; S113-K117 PolarHBondContact O-N 2.83Å; S113-K117 VanDerWaalsContact O-N 3.08Å; K114-K117 PolarHBondContact O-N 3.23Å; K114-K117 VanDerWaalsContact O-N 3.1Å; L115-K117 PolarHBondContact O-N 3.23Å |
| 118 | S | 97.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 44 Ų | 44 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | trans | -137.1 | 111.7 | -174.4 | 175.4 | 0 | 0 | 0 | 0 | 112.4 | S113 G116 E120 M121 | S113-S118 WeakPolarHBondContact CB-O 3.23Å; S113-S118 PolarHBondContact O-N 2.99Å; G116-S118 PolarHBondContact O-N 3.43Å; S118-E120 WeakPolarHBondContact CB-OE2 3.4Å; S118-E120 PolarHBondContact OG-N 2.88Å; S118-E120 PolarHBondContact OG-OE2 3.12Å; S118-M121 PolarHBondContact OG-N 2.85Å; S118-M121 VanDerWaalsContact OG-N 3.13Å | ||
| 119 | F | 97.1 | Very high | 97.8 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.7 | -23.4 | 167.8 | 51.9 | -103.2 | 0 | 0 | 0 | 111.6 | Y44 T47 W48 L64 L122 I123 | Y44-F119 HydrophobicContact CD1-CB 3.7Å; Y44-F119 HydrophobicContact CE1-CB 3.47Å; Y44-F119 VanDerWaalsContact CE1-CB 3.47Å; Y44-F119 HydrophobicContact CG-CB 4.35Å; T47-F119 HydrophobicContact CG2-CD1 3.92Å; T47-F119 HydrophobicContact CG2-CE1 4.15Å; W48-F119 HydrophobicContact CE3-CE1 4.34Å; W48-F119 HydrophobicContact CE3-CZ 4.47Å; W48-F119 HydrophobicContact CZ3-CZ 4.43Å; L64-F119 HydrophobicContact CD1-CD2 3.99Å; L64-F119 HydrophobicContact CD1-CE2 4.27Å; L64-F119 HydrophobicContact CD2-CB 4.41Å; L64-F119 HydrophobicContact CD2-CD1 4.22Å; L64-F119 HydrophobicContact CD2-CD2 4.01Å; L64-F119 HydrophobicContact CD2-CE2 4.33Å; L64-F119 HydrophobicContact CD2-CG 3.96Å; F119-L122 WeakPolarHBondContact O-CB 3.49Å; F119-L122 PolarHBondContact O-N 2.89Å; F119-I123 HydrophobicContact CD2-CD1 4.32Å; F119-I123 VanDerWaalsContact O-CG1 3.3Å; F119-I123 WeakPolarHBondContact O-CG1 3.35Å; F119-I123 PolarHBondContact O-N 3.26Å |
| 120 | E | 98 | Very high | 97.7 | Very high | 81 Ų | 81 | 38.6 Ų | 38.6 | 38% | 0.379 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.2 | -40 | 175 | -55.3 | 88.2 | 165.2 | 0 | 0 | 111.9 | R51 S118 L122 I123 L124 | R51-E120 IonicContact CZ-OE1 2.79Å; R51-E120 IonicContact CZ-OE2 3.95Å; R51-E120 IonicContact NH1-OE1 3.67Å; R51-E120 PolarHBondContact NH1-OE1 3.03Å; R51-E120 IonicContact NH1-OE2 3.45Å; R51-E120 PolarHBondContact NH1-OE2 3.21Å; R51-E120 IonicContact NH2-OE1 3.21Å; R51-E120 IonicContact NH2-OE2 3.62Å; R51-E120 PolarHBondContact NH2-OE2 2.8Å; S118-E120 WeakPolarHBondContact CB-OE2 3.4Å; S118-E120 PolarHBondContact OG-N 2.88Å; S118-E120 PolarHBondContact OG-OE2 3.12Å; E120-L122 VanDerWaalsContact C-N 3.31Å; E120-L122 PolarHBondContact O-N 3.28Å; E120-I123 PolarHBondContact O-N 2.94Å; E120-L124 VanDerWaalsContact O-CB 3.31Å; E120-L124 WeakPolarHBondContact O-CB 3.22Å; E120-L124 PolarHBondContact O-N 3.35Å |
| 121 | M | 98.1 | Very high | 97.7 | Very high | 51 Ų | 51 | 39.8 Ų | 39.8 | 25% | 0.251 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 173.1 | -71.3 | 178.8 | 66.6 | 0 | 0 | 111.5 | L109 F112 S118 G125 | L109-M121 HydrophobicContact CD2-CE 4.28Å; F112-M121 HydrophobicContact CB-CE 4.12Å; S118-M121 PolarHBondContact OG-N 2.85Å; S118-M121 VanDerWaalsContact OG-N 3.13Å; M121-G125 PolarHBondContact O-N 3.09Å |
| 122 | L | 98.1 | Very high | 97.8 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -49 | 177.5 | -167.6 | 161.9 | 0 | 0 | 0 | 110.8 | I40 Y44 F119 E120 L124 G125 R126 W186 L190 | I40-L122 HydrophobicContact CG2-CD1 3.85Å; Y44-L122 HydrophobicContact CE1-CD1 4.08Å; Y44-L122 WeakPolarHBondContact OH-CD2 3.28Å; F119-L122 WeakPolarHBondContact O-CB 3.49Å; F119-L122 PolarHBondContact O-N 2.89Å; E120-L122 VanDerWaalsContact C-N 3.31Å; E120-L122 PolarHBondContact O-N 3.28Å; L122-L124 PolarHBondContact O-N 3.06Å; L122-G125 PolarHBondContact O-N 3.25Å; L122-R126 HydrophobicContact CD2-CG 3.76Å; L122-R126 WeakPolarHBondContact O-CG 3.3Å; L122-R126 PolarHBondContact O-N 3.5Å; L122-W186 HydrophobicContact CD1-CH2 3.86Å; L122-W186 HydrophobicContact CD1-CZ3 3.61Å; L122-L190 HydrophobicContact CD1-CD1 4.18Å; L122-L190 HydrophobicContact CG-CD1 4.36Å |
| 123 | I | 98.3 | Very high | 97.7 | Very high | 26 Ų | 26 | 34 Ų | 34 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.1 | -45.3 | 178.4 | -68 | 166.4 | 0 | 0 | 0 | 111.1 | L64 L67 S68 I71 F119 E120 R126 F127 | L64-I123 HydrophobicContact CD1-CD1 3.67Å; L67-I123 HydrophobicContact CD2-CD1 4.3Å; S68-I123 WeakPolarHBondContact OG-CG1 3.46Å; I71-I123 HydrophobicContact CB-CG2 4.48Å; I71-I123 HydrophobicContact CG1-CG2 4.29Å; I71-I123 HydrophobicContact CG2-CG2 4.13Å; I71-I123 WeakPolarHBondContact CG2-O 3.47Å; F119-I123 HydrophobicContact CD2-CD1 4.32Å; F119-I123 VanDerWaalsContact O-CG1 3.3Å; F119-I123 WeakPolarHBondContact O-CG1 3.35Å; F119-I123 PolarHBondContact O-N 3.26Å; E120-I123 PolarHBondContact O-N 2.94Å; I123-R126 PolarHBondContact O-N 2.77Å; I123-F127 PolarHBondContact O-N 2.83Å |
| 124 | L | 98.6 | Very high | 97.4 | Very high | 84 Ų | 84 | 34 Ų | 34 | 44% | 0.44 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 176.6 | -178.1 | 61.9 | 0 | 0 | 0 | 111.7 | L109 E120 L122 F127 I128 | L109-L124 HydrophobicContact CD1-CB 4.48Å; L109-L124 HydrophobicContact CD1-CD2 4.03Å; L109-L124 HydrophobicContact CD1-CG 3.95Å; E120-L124 VanDerWaalsContact O-CB 3.31Å; E120-L124 WeakPolarHBondContact O-CB 3.22Å; E120-L124 PolarHBondContact O-N 3.35Å; L122-L124 PolarHBondContact O-N 3.06Å; L124-F127 HydrophobicContact CD1-CD1 4.36Å; L124-F127 WeakPolarHBondContact O-CB 3.25Å; L124-F127 PolarHBondContact O-N 3.35Å; L124-I128 HydrophobicContact CD1-CD1 4.13Å; L124-I128 HydrophobicContact CD1-CG1 4.38Å; L124-I128 HydrophobicContact CG-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CG1 3.32Å; L124-I128 PolarHBondContact O-N 3.45Å |
| 125 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.8 | -48 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | S106 M121 L122 F127 I128 I129 | S106-G125 WeakPolarHBondContact CB-O 3.45Å; S106-G125 VanDerWaalsContact OG-C 3.3Å; S106-G125 PolarHBondContact OG-O 2.98Å; M121-G125 PolarHBondContact O-N 3.09Å; L122-G125 PolarHBondContact O-N 3.25Å; G125-F127 PolarHBondContact O-N 2.99Å; G125-I128 PolarHBondContact O-N 2.82Å; G125-I129 WeakPolarHBondContact O-CG2 3.36Å; G125-I129 PolarHBondContact O-N 3.46Å |
| 126 | R | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 176.4 | -72.6 | -71.1 | -63.7 | 167.6 | -0.3 | 112.6 | N29 S68 I71 F72 M110 L122 I123 I129 G130 | N29-R126 PolarHBondContact O-NH1 3.38Å; S68-R126 WeakPolarHBondContact O-CG 3.37Å; S68-R126 PolarHBondContact O-NE 2.9Å; I71-R126 HydrophobicContact CG2-CB 3.64Å; F72-R126 WeakPolarHBondContact CA-O 3.42Å; M110-R126 HydrophobicContact SD-CG 4.15Å; L122-R126 HydrophobicContact CD2-CG 3.76Å; L122-R126 WeakPolarHBondContact O-CG 3.3Å; L122-R126 PolarHBondContact O-N 3.5Å; I123-R126 PolarHBondContact O-N 2.77Å; R126-I129 WeakPolarHBondContact O-CG2 3.32Å; R126-G130 PolarHBondContact O-N 2.83Å |
| 127 | F | 98.6 | Very high | 96.8 | Very high | 57 Ų | 57 | 24.6 Ų | 24.6 | 25% | 0.25 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.2 | -50.7 | 173.9 | 174.6 | -107.9 | 0 | 0 | 0 | 111.9 | I71 V74 I78 I123 L124 G125 I129 G130 V131 | I71-F127 HydrophobicContact CD1-CD2 4.46Å; I71-F127 HydrophobicContact CG1-CB 3.79Å; I71-F127 HydrophobicContact CG1-CD2 4.05Å; I71-F127 HydrophobicContact CG1-CG 4.32Å; V74-F127 HydrophobicContact CG1-CE2 4.23Å; I78-F127 HydrophobicContact CD1-CE2 3.85Å; I78-F127 HydrophobicContact CD1-CZ 3.82Å; I123-F127 PolarHBondContact O-N 2.83Å; L124-F127 HydrophobicContact CD1-CD1 4.36Å; L124-F127 WeakPolarHBondContact O-CB 3.25Å; L124-F127 PolarHBondContact O-N 3.35Å; G125-F127 PolarHBondContact O-N 2.99Å; F127-I129 PolarHBondContact O-N 2.81Å; F127-G130 WeakPolarHBondContact O-CA 3.25Å; F127-G130 PolarHBondContact O-N 2.77Å; F127-G130 VanDerWaalsContact O-N 3.08Å; F127-V131 HydrophobicContact CE1-CG2 4.24Å; F127-V131 HydrophobicContact CE2-CG2 4.39Å; F127-V131 HydrophobicContact CZ-CG2 4.09Å; F127-V131 PolarHBondContact O-N 2.88Å |
| 128 | I | 98.6 | Very high | 96.2 | Very high | 27 Ų | 27 | 21 Ų | 21 | 14% | 0.138 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | -176.1 | -68.9 | 169.9 | 0 | 0 | 0 | 111.5 | L102 V105 L109 L124 G125 G130 V131 Y132 | L102-I128 HydrophobicContact CB-CG2 3.98Å; L102-I128 HydrophobicContact CD2-CG2 4.29Å; L102-I128 WeakPolarHBondContact O-CG2 3.29Å; V105-I128 HydrophobicContact CG1-CD1 3.92Å; L109-I128 HydrophobicContact CD1-CD1 3.61Å; L124-I128 HydrophobicContact CD1-CD1 4.13Å; L124-I128 HydrophobicContact CD1-CG1 4.38Å; L124-I128 HydrophobicContact CG-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CG1 3.32Å; L124-I128 PolarHBondContact O-N 3.45Å; G125-I128 PolarHBondContact O-N 2.82Å; I128-G130 PolarHBondContact O-N 2.93Å; I128-V131 WeakPolarHBondContact O-CB 3.4Å; I128-V131 PolarHBondContact O-N 3.42Å; I128-V131 VanDerWaalsContact O-N 3.17Å; I128-Y132 PolarHBondContact O-N 2.87Å; I128-Y132 VanDerWaalsContact O-N 3.07Å |
| 129 | I | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.5 | -28.3 | 175 | -165.9 | 59.6 | 0 | 0 | 0 | 111.9 | N29 F72 A103 S106 M110 G125 R126 F127 Y132 C133 I193 | N29-I129 HydrophobicContact CB-CG1 4.17Å; N29-I129 WeakPolarHBondContact ND2-CG1 3.44Å; N29-I129 WeakPolarHBondContact OD1-CG1 2.87Å; F72-I129 HydrophobicContact CD2-CG2 4.03Å; F72-I129 HydrophobicContact CE2-CG2 4.28Å; A103-I129 HydrophobicContact CB-CD1 4.23Å; S106-I129 WeakPolarHBondContact OG-CB 3.3Å; M110-I129 HydrophobicContact CE-CG2 4.35Å; G125-I129 WeakPolarHBondContact O-CG2 3.36Å; G125-I129 PolarHBondContact O-N 3.46Å; R126-I129 WeakPolarHBondContact O-CG2 3.32Å; F127-I129 PolarHBondContact O-N 2.81Å; I129-Y132 HydrophobicContact CD1-CD1 3.63Å; I129-Y132 HydrophobicContact CD1-CE1 4.45Å; I129-Y132 HydrophobicContact CD1-CG 4.07Å; I129-Y132 WeakPolarHBondContact O-CB 3.39Å; I129-Y132 PolarHBondContact O-N 3.2Å; I129-C133 VanDerWaalsContact O-CB 3.26Å; I129-C133 WeakPolarHBondContact O-CB 3.35Å; I129-C133 PolarHBondContact O-N 2.87Å; I129-C133 PolarHBondContact O-SG 3.47Å; I129-I193 HydrophobicContact CD1-CD1 3.77Å; I129-I193 HydrophobicContact CG1-CD1 4Å |
| 130 | G | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.3 | -51 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F72 G75 G76 R126 F127 I128 Y132 C133 G134 | F72-G130 WeakPolarHBondContact O-CA 3.43Å; G75-G130 CarbonylContact C-O 3.41Å; G76-G130 WeakPolarHBondContact CA-O 3.34Å; G76-G130 VanDerWaalsContact N-C 3.28Å; G76-G130 PolarHBondContact N-O 2.78Å; R126-G130 PolarHBondContact O-N 2.83Å; F127-G130 WeakPolarHBondContact O-CA 3.25Å; F127-G130 PolarHBondContact O-N 2.77Å; F127-G130 VanDerWaalsContact O-N 3.08Å; I128-G130 PolarHBondContact O-N 2.93Å; G130-Y132 VanDerWaalsContact C-N 3.32Å; G130-Y132 PolarHBondContact O-N 3.27Å; G130-C133 PolarHBondContact O-N 3.31Å; G130-C133 VanDerWaalsContact O-N 3.12Å; G130-G134 PolarHBondContact O-N 3.37Å |
| 131 | V | 97.9 | Very high | 95.2 | Very high | 25 Ų | 25 | 18.1 Ų | 18.1 | 15% | 0.152 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 177.1 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | G75 G79 L102 F127 I128 C133 G134 L135 | G75-V131 VanDerWaalsContact C-N 3.32Å; G75-V131 VanDerWaalsContact O-CA 3.25Å; G75-V131 WeakPolarHBondContact O-CA 3.18Å; G79-V131 WeakPolarHBondContact CA-O 3.17Å; L102-V131 HydrophobicContact CD1-CB 4.48Å; L102-V131 HydrophobicContact CD1-CG1 4.03Å; F127-V131 HydrophobicContact CE1-CG2 4.24Å; F127-V131 HydrophobicContact CE2-CG2 4.39Å; F127-V131 HydrophobicContact CZ-CG2 4.09Å; F127-V131 PolarHBondContact O-N 2.88Å; I128-V131 WeakPolarHBondContact O-CB 3.4Å; I128-V131 PolarHBondContact O-N 3.42Å; I128-V131 VanDerWaalsContact O-N 3.17Å; V131-C133 PolarHBondContact O-N 3.46Å; V131-G134 PolarHBondContact O-N 3.3Å; V131-L135 HydrophobicContact CG1-CD1 4.03Å; V131-L135 WeakPolarHBondContact O-CD1 3.37Å; V131-L135 WeakPolarHBondContact O-CG 3.34Å; V131-L135 PolarHBondContact O-N 3Å |
| 132 | Y | 98.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 174.4 | 171.6 | -93.2 | 0 | 0 | 0 | 112.4 | Q25 M99 A103 I128 I129 G130 L135 T136 Q200 | Q25-Y132 HydrophobicContact CB-CE1 4.01Å; Q25-Y132 PolarHBondContact OE1-OH 2.89Å; M99-Y132 HydrophobicContact CB-CD2 3.97Å; M99-Y132 HydrophobicContact CB-CE2 4.17Å; M99-Y132 VanDerWaalsContact O-CD2 3.23Å; M99-Y132 WeakPolarHBondContact O-CD2 3.36Å; A103-Y132 HydrophobicContact CB-CD2 4.3Å; A103-Y132 HydrophobicContact CB-CE2 4.33Å; A103-Y132 HydrophobicContact CB-CG 4.44Å; I128-Y132 PolarHBondContact O-N 2.87Å; I128-Y132 VanDerWaalsContact O-N 3.07Å; I129-Y132 HydrophobicContact CD1-CD1 3.63Å; I129-Y132 HydrophobicContact CD1-CE1 4.45Å; I129-Y132 HydrophobicContact CD1-CG 4.07Å; I129-Y132 WeakPolarHBondContact O-CB 3.39Å; I129-Y132 PolarHBondContact O-N 3.2Å; G130-Y132 VanDerWaalsContact C-N 3.32Å; G130-Y132 PolarHBondContact O-N 3.27Å; Y132-L135 PolarHBondContact O-N 2.96Å; Y132-T136 VanDerWaalsContact O-CB 3.32Å; Y132-T136 WeakPolarHBondContact O-CB 3.48Å; Y132-T136 PolarHBondContact O-N 3.45Å; Y132-T136 PolarHBondContact O-OG1 2.91Å; Y132-Q200 PolarHBondContact OH-OE1 3.06Å |
| 133 | C | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | -178.9 | -75.8 | 0 | 0 | 0 | 0 | 111.7 | F26 F72 I129 G130 V131 L135 T136 T137 | F26-C133 HydrophobicContact CD2-CB 3.67Å; F26-C133 HydrophobicContact CE2-CB 4.3Å; F72-C133 HydrophobicContact CE2-CB 3.75Å; F72-C133 HydrophobicContact CZ-CB 3.66Å; I129-C133 VanDerWaalsContact O-CB 3.26Å; I129-C133 WeakPolarHBondContact O-CB 3.35Å; I129-C133 PolarHBondContact O-N 2.87Å; I129-C133 PolarHBondContact O-SG 3.47Å; G130-C133 PolarHBondContact O-N 3.31Å; G130-C133 VanDerWaalsContact O-N 3.12Å; V131-C133 PolarHBondContact O-N 3.46Å; C133-L135 PolarHBondContact O-N 2.89Å; C133-T136 WeakPolarHBondContact O-CB 3.32Å; C133-T136 PolarHBondContact O-N 3.47Å; C133-T137 WeakPolarHBondContact O-CG2 3.49Å; C133-T137 PolarHBondContact O-N 2.83Å |
| 134 | G | 92.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G76 S80 G130 V131 T136 T137 | G76-G134 WeakPolarHBondContact O-CA 3.5Å; S80-G134 WeakPolarHBondContact CA-O 3.49Å; G130-G134 PolarHBondContact O-N 3.37Å; V131-G134 PolarHBondContact O-N 3.3Å; G134-T136 VanDerWaalsContact C-N 3.35Å; G134-T137 PolarHBondContact O-OG1 3.44Å |
| 135 | L | 93.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 173.9 | -72.3 | 162.1 | 0 | 0 | 0 | 111.2 | G79 V83 F86 M99 L102 V131 Y132 C133 T137 G138 F139 | G79-L135 WeakPolarHBondContact O-CD2 3.24Å; G79-L135 WeakPolarHBondContact O-CG 3.47Å; V83-L135 HydrophobicContact CG2-CD2 4.22Å; F86-L135 HydrophobicContact CD2-CD2 3.76Å; F86-L135 HydrophobicContact CE2-CD2 4.05Å; M99-L135 HydrophobicContact CG-CD1 3.88Å; M99-L135 HydrophobicContact SD-CD1 3.55Å; M99-L135 VanDerWaalsContact SD-CD1 3.55Å; L102-L135 HydrophobicContact CD1-CD1 4.18Å; V131-L135 HydrophobicContact CG1-CD1 4.03Å; V131-L135 WeakPolarHBondContact O-CD1 3.37Å; V131-L135 WeakPolarHBondContact O-CG 3.34Å; V131-L135 PolarHBondContact O-N 3Å; Y132-L135 PolarHBondContact O-N 2.96Å; C133-L135 PolarHBondContact O-N 2.89Å; L135-T137 PolarHBondContact O-N 3.37Å; L135-G138 PolarHBondContact O-N 3.37Å; L135-F139 HydrophobicContact CB-CD2 4.27Å; L135-F139 HydrophobicContact CB-CE1 4.41Å; L135-F139 HydrophobicContact CB-CE2 3.78Å; L135-F139 HydrophobicContact CB-CZ 3.85Å; L135-F139 HydrophobicContact CD2-CE1 4.12Å; L135-F139 HydrophobicContact CD2-CE2 4.42Å; L135-F139 HydrophobicContact CD2-CZ 3.68Å; L135-F139 HydrophobicContact CG-CZ 4.28Å; L135-F139 WeakPolarHBondContact O-CD1 3.22Å; L135-F139 WeakPolarHBondContact O-CG 3.38Å; L135-F139 PolarHBondContact O-N 2.87Å |
| 136 | T | 94.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 3% | 0.025 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | -178.2 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | G22 Y132 C133 G134 G138 F139 V140 | G22-T136 VanDerWaalsContact CA-CG2 3.47Å; G22-T136 WeakPolarHBondContact O-CG2 3.21Å; Y132-T136 VanDerWaalsContact O-CB 3.32Å; Y132-T136 WeakPolarHBondContact O-CB 3.48Å; Y132-T136 PolarHBondContact O-N 3.45Å; Y132-T136 PolarHBondContact O-OG1 2.91Å; C133-T136 WeakPolarHBondContact O-CB 3.32Å; C133-T136 PolarHBondContact O-N 3.47Å; G134-T136 VanDerWaalsContact C-N 3.35Å; T136-G138 PolarHBondContact O-N 2.98Å; T136-F139 PolarHBondContact O-N 3.45Å; T136-V140 HydrophobicContact CG2-CG2 3.65Å; T136-V140 WeakPolarHBondContact O-CG2 2.96Å; T136-V140 PolarHBondContact O-N 3.06Å |
| 137 | T | 87.4 | Confident | 92.5 | Very high | 28 Ų | 28 | 15.1 Ų | 15.1 | 17% | 0.172 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.2 | -21.3 | 173.8 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | F26 C133 G134 L135 P141 W412 | F26-T137 HydrophobicContact CD2-CG2 3.41Å; F26-T137 VanDerWaalsContact CD2-CG2 3.41Å; F26-T137 HydrophobicContact CE2-CG2 3.28Å; F26-T137 HydrophobicContact CG-CG2 4.12Å; F26-T137 HydrophobicContact CZ-CG2 3.9Å; C133-T137 WeakPolarHBondContact O-CG2 3.49Å; C133-T137 PolarHBondContact O-N 2.83Å; G134-T137 PolarHBondContact O-OG1 3.44Å; L135-T137 PolarHBondContact O-N 3.37Å; T137-P141 WeakPolarHBondContact O-CD 3.33Å; T137-P141 WeakPolarHBondContact O-CG 3.29Å; T137-W412 HydrophobicContact CG2-CZ2 4.37Å |
| 138 | G | 85.1 | Confident | 91.9 | Very high | 19 Ų | 19 | 12.4 Ų | 12.4 | 20% | 0.196 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -93.1 | -41.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L135 T136 M142 | L135-G138 PolarHBondContact O-N 3.37Å; T136-G138 PolarHBondContact O-N 2.98Å; G138-M142 VanDerWaalsContact O-CB 3.27Å; G138-M142 WeakPolarHBondContact O-CB 3.35Å; G138-M142 PolarHBondContact O-N 3.28Å |
| 139 | F | 90.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.5 | -48.5 | -173.2 | -65.2 | -12 | 0 | 0 | 0 | 113.2 | V83 F86 V87 M96 M99 L135 T136 M142 Y143 | V83-F139 HydrophobicContact CB-CE1 4.25Å; V83-F139 HydrophobicContact CG1-CD1 3.94Å; V83-F139 HydrophobicContact CG1-CE1 3.97Å; V83-F139 HydrophobicContact CG2-CD1 4.41Å; V83-F139 HydrophobicContact CG2-CE1 4.24Å; F86-F139 HydrophobicContact CB-CE1 4.16Å; F86-F139 HydrophobicContact CB-CZ 3.78Å; F86-F139 HydrophobicContact CD2-CZ 4.47Å; F86-F139 HydrophobicContact CG-CZ 4.32Å; V87-F139 HydrophobicContact CG1-CD1 3.36Å; V87-F139 HydrophobicContact CG1-CE1 3.43Å; V87-F139 VanDerWaalsContact CG1-CE1 3.43Å; V87-F139 HydrophobicContact CG1-CG 4.44Å; M96-F139 HydrophobicContact CG-CB 3.67Å; M96-F139 HydrophobicContact CG-CD2 3.81Å; M96-F139 HydrophobicContact CG-CG 4.13Å; M96-F139 HydrophobicContact SD-CB 4.29Å; M99-F139 HydrophobicContact CB-CE2 4.41Å; M99-F139 HydrophobicContact CG-CE2 3.69Å; M99-F139 HydrophobicContact CG-CZ 4.32Å; L135-F139 HydrophobicContact CB-CD2 4.27Å; L135-F139 HydrophobicContact CB-CE1 4.41Å; L135-F139 HydrophobicContact CB-CE2 3.78Å; L135-F139 HydrophobicContact CB-CZ 3.85Å; L135-F139 HydrophobicContact CD2-CE1 4.12Å; L135-F139 HydrophobicContact CD2-CE2 4.42Å; L135-F139 HydrophobicContact CD2-CZ 3.68Å; L135-F139 HydrophobicContact CG-CZ 4.28Å; L135-F139 WeakPolarHBondContact O-CD1 3.22Å; L135-F139 WeakPolarHBondContact O-CG 3.38Å; L135-F139 PolarHBondContact O-N 2.87Å; T136-F139 PolarHBondContact O-N 3.45Å; F139-M142 PolarHBondContact O-N 3.25Å; F139-Y143 WeakPolarHBondContact O-CB 3.43Å; F139-Y143 PolarHBondContact O-N 3.46Å |
| 140 | V | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.4 | -54.4 | -173.7 | 179.7 | 0 | 0 | 0 | 0 | 112 | A19 S23 T136 M142 Y143 V144 H160 | A19-V140 HydrophobicContact CB-CG1 4.22Å; A19-V140 VanDerWaalsContact O-CG2 3.24Å; A19-V140 WeakPolarHBondContact O-CG2 3.39Å; S23-V140 WeakPolarHBondContact OG-CG1 3.34Å; T136-V140 HydrophobicContact CG2-CG2 3.65Å; T136-V140 WeakPolarHBondContact O-CG2 2.96Å; T136-V140 PolarHBondContact O-N 3.06Å; V140-M142 VanDerWaalsContact C-N 3.28Å; V140-M142 PolarHBondContact O-N 2.88Å; V140-Y143 PolarHBondContact O-N 3.37Å; V140-V144 HydrophobicContact CG1-CG2 4.08Å; V140-V144 WeakPolarHBondContact O-CB 3.33Å; V140-V144 VanDerWaalsContact O-CG2 3.27Å; V140-V144 WeakPolarHBondContact O-CG2 3.39Å; V140-V144 PolarHBondContact O-N 2.94Å; V140-H160 HydrophobicContact CG1-CB 4.43Å |
| 141 | P | 87.4 | Confident | 89.3 | Confident | 51 Ų | 51 | 18 Ų | 18 | 33% | 0.331 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -63 | -35 | 179.5 | 23.4 | -33.2 | 0 | 0 | 0 | 112.4 | T137 G145 | T137-P141 WeakPolarHBondContact O-CD 3.33Å; T137-P141 WeakPolarHBondContact O-CG 3.29Å; P141-G145 PolarHBondContact O-N 3.42Å |
| 142 | M | 86.4 | Confident | 88.3 | Confident | 62 Ų | 62 | 19.4 Ų | 19.4 | 31% | 0.305 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.9 | -51.1 | 175 | -174.5 | -179.1 | -62.8 | 0 | 0 | 111.4 | V83 V87 R92 G138 F139 V140 G145 E146 | V83-M142 HydrophobicContact CG1-CE 4.48Å; V87-M142 HydrophobicContact CB-SD 3.96Å; V87-M142 HydrophobicContact CG1-SD 4.03Å; V87-M142 HydrophobicContact CG2-CE 4.14Å; V87-M142 HydrophobicContact CG2-SD 3.86Å; R92-M142 HydrophobicContact CG-CG 4.2Å; R92-M142 HydrophobicContact CG-SD 4.05Å; G138-M142 VanDerWaalsContact O-CB 3.27Å; G138-M142 WeakPolarHBondContact O-CB 3.35Å; G138-M142 PolarHBondContact O-N 3.28Å; F139-M142 PolarHBondContact O-N 3.25Å; V140-M142 VanDerWaalsContact C-N 3.28Å; V140-M142 PolarHBondContact O-N 2.88Å; M142-G145 PolarHBondContact O-N 3.31Å; M142-E146 HydrophobicContact CG-CG 4.48Å; M142-E146 WeakPolarHBondContact O-CB 3.38Å; M142-E146 WeakPolarHBondContact O-CG 3.38Å; M142-E146 PolarHBondContact O-N 2.89Å |
| 143 | Y | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -49.4 | -179.9 | -179.2 | -103.4 | 0 | 0 | 0 | 111.4 | A15 A19 R92 R93 M96 F139 V140 G145 E146 V147 P208 | A15-Y143 HydrophobicContact CB-CE1 4.25Å; A19-Y143 HydrophobicContact CB-CD1 3.65Å; A19-Y143 HydrophobicContact CB-CE1 4.1Å; R92-Y143 HydrophobicContact CB-CD2 3.75Å; R92-Y143 HydrophobicContact CB-CG 4.44Å; R93-Y143 HydrophobicContact CB-CE2 4.06Å; M96-Y143 HydrophobicContact SD-CG 4.26Å; F139-Y143 WeakPolarHBondContact O-CB 3.43Å; F139-Y143 PolarHBondContact O-N 3.46Å; V140-Y143 PolarHBondContact O-N 3.37Å; Y143-G145 VanDerWaalsContact C-N 3.3Å; Y143-G145 PolarHBondContact O-N 2.96Å; Y143-E146 PolarHBondContact O-N 3.09Å; Y143-V147 HydrophobicContact CD1-CG1 4.34Å; Y143-V147 HydrophobicContact CD2-CG1 4.02Å; Y143-V147 HydrophobicContact CE1-CG1 4.01Å; Y143-V147 HydrophobicContact CE1-CG2 4.42Å; Y143-V147 HydrophobicContact CE2-CG1 3.66Å; Y143-V147 HydrophobicContact CG-CG1 4.37Å; Y143-V147 WeakPolarHBondContact O-CG1 3.32Å; Y143-V147 WeakPolarHBondContact O-CG2 3.36Å; Y143-V147 PolarHBondContact O-N 2.94Å; Y143-P208 WeakPolarHBondContact CE2-O 3.37Å; Y143-P208 PolarHBondContact OH-O 3.03Å |
| 144 | V | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 178.2 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | V16 A19 V140 E146 S148 L156 | V16-V144 HydrophobicContact CG1-CG1 4.34Å; V16-V144 HydrophobicContact CG1-CG2 4.17Å; V16-V144 HydrophobicContact CG2-CG1 4.39Å; A19-V144 HydrophobicContact CB-CG2 4.16Å; V140-V144 HydrophobicContact CG1-CG2 4.08Å; V140-V144 WeakPolarHBondContact O-CB 3.33Å; V140-V144 VanDerWaalsContact O-CG2 3.27Å; V140-V144 WeakPolarHBondContact O-CG2 3.39Å; V140-V144 PolarHBondContact O-N 2.94Å; V144-E146 VanDerWaalsContact C-N 3.34Å; V144-E146 PolarHBondContact O-N 3.38Å; V144-S148 WeakPolarHBondContact O-CB 3.35Å; V144-S148 PolarHBondContact O-N 3.44Å; V144-S148 PolarHBondContact O-OG 3.47Å; V144-L156 HydrophobicContact CG1-CB 3.93Å; V144-L156 WeakPolarHBondContact CG1-O 3.49Å |
| 145 | G | 85.4 | Confident | 85.3 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P141 M142 Y143 R153 | P141-G145 PolarHBondContact O-N 3.42Å; M142-G145 PolarHBondContact O-N 3.31Å; Y143-G145 VanDerWaalsContact C-N 3.3Å; Y143-G145 PolarHBondContact O-N 2.96Å; G145-R153 PolarHBondContact O-NE 2.84Å |
| 146 | E | 87.8 | Confident | 84.8 | Confident | 26 Ų | 26 | 28 Ų | 28 | 12% | 0.121 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -83.9 | -23.3 | -178.1 | -65.7 | -179.2 | 168.3 | 0 | 0 | 114 | R92 M142 Y143 V144 S210 R212 | R92-E146 WeakPolarHBondContact CD-OE2 3.5Å; R92-E146 IonicContact CZ-OE1 3.7Å; R92-E146 IonicContact CZ-OE2 2.78Å; R92-E146 IonicContact NE-OE1 2.79Å; R92-E146 PolarHBondContact NE-OE1 3.38Å; R92-E146 IonicContact NE-OE2 3.76Å; R92-E146 PolarHBondContact NE-OE2 3.38Å; R92-E146 IonicContact NH2-OE1 2.9Å; R92-E146 PolarHBondContact NH2-OE1 3.37Å; R92-E146 IonicContact NH2-OE2 3.5Å; M142-E146 HydrophobicContact CG-CG 4.48Å; M142-E146 WeakPolarHBondContact O-CB 3.38Å; M142-E146 WeakPolarHBondContact O-CG 3.38Å; M142-E146 PolarHBondContact O-N 2.89Å; Y143-E146 PolarHBondContact O-N 3.09Å; V144-E146 VanDerWaalsContact C-N 3.34Å; V144-E146 PolarHBondContact O-N 3.38Å; E146-S210 VanDerWaalsContact CB-OG 3.31Å; E146-S210 WeakPolarHBondContact CB-OG 3.4Å; E146-S210 WeakPolarHBondContact OE2-CB 3.36Å; E146-S210 PolarHBondContact OE2-OG 3.23Å; E146-R212 HydrophobicContact CB-CB 4.22Å; E146-R212 HydrophobicContact CG-CB 4.15Å |
| 147 | V | 91.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -90.1 | -26.1 | 174.7 | -55.9 | 0 | 0 | 0 | 0 | 113 | L12 V16 Y143 L231 R232 | L12-V147 HydrophobicContact CD1-CG2 4.03Å; V16-V147 HydrophobicContact CG2-CG2 4.2Å; Y143-V147 HydrophobicContact CD1-CG1 4.34Å; Y143-V147 HydrophobicContact CD2-CG1 4.02Å; Y143-V147 HydrophobicContact CE1-CG1 4.01Å; Y143-V147 HydrophobicContact CE1-CG2 4.42Å; Y143-V147 HydrophobicContact CE2-CG1 3.66Å; Y143-V147 HydrophobicContact CG-CG1 4.37Å; Y143-V147 WeakPolarHBondContact O-CG1 3.32Å; Y143-V147 WeakPolarHBondContact O-CG2 3.36Å; Y143-V147 PolarHBondContact O-N 2.94Å; V147-L231 HydrophobicContact CB-CD1 4.15Å; V147-R232 PolarHBondContact O-NH1 3.02Å; V147-R232 PolarHBondContact O-NH2 3.28Å |
| 148 | S | 86.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -75.7 | 145.9 | -173.9 | -63.4 | 0 | 0 | 0 | 0 | 113 | V144 L156 R232 | V144-S148 WeakPolarHBondContact O-CB 3.35Å; V144-S148 PolarHBondContact O-N 3.44Å; V144-S148 PolarHBondContact O-OG 3.47Å; S148-L156 VanDerWaalsContact OG-CD1 3.23Å; S148-L156 WeakPolarHBondContact OG-CD1 3.42Å; S148-R232 PolarHBondContact O-NH2 3.49Å |
| 149 | P | 85.6 | Confident | 84 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -62.8 | 146.8 | 168.6 | -12.9 | 25.4 | 0 | 0 | 0 | 110.8 | K6 L12 A151 L152 R153 | K6-P149 HydrophobicContact CB-CB 4.4Å; K6-P149 HydrophobicContact CD-CB 3.93Å; L12-P149 HydrophobicContact CD2-CG 4.1Å; P149-A151 VanDerWaalsContact C-N 3.26Å; P149-A151 PolarHBondContact O-N 2.96Å; P149-A151 VanDerWaalsContact O-N 3.17Å; P149-L152 HydrophobicContact CG-CD1 4.47Å; P149-L152 CarbonylContact O-C 3.57Å; P149-L152 PolarHBondContact O-N 3.34Å; P149-R153 PolarHBondContact O-N 2.89Å | ||
| 150 | T | 78.1 | Confident | 83.9 | Confident | 58 Ų | 58 | 32 Ų | 32 | 36% | 0.356 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -53.4 | -40.7 | -176.3 | -51 | 0 | 0 | 0 | 0 | 113.1 | L152 R153 E243 | T150-L152 VanDerWaalsContact C-N 3.35Å; T150-L152 PolarHBondContact O-N 3.42Å; T150-R153 PolarHBondContact O-N 3.28Å; T150-R153 PolarHBondContact OG1-NH2 2.93Å; T150-E243 PolarHBondContact OG1-OE1 3.48Å; T150-E243 PolarHBondContact OG1-OE2 3.47Å |
| 151 | A | 75.8 | Confident | 83.6 | Confident | 85 Ų | 85 | 33.9 Ų | 33.9 | 70% | 0.702 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -67.4 | -27.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P149 | P149-A151 VanDerWaalsContact C-N 3.26Å; P149-A151 PolarHBondContact O-N 2.96Å; P149-A151 VanDerWaalsContact O-N 3.17Å |
| 152 | L | 76.6 | Confident | 83.8 | Confident | 56 Ų | 56 | 33.6 Ų | 33.6 | 29% | 0.293 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -107.6 | 1.1 | -177.5 | -61.3 | 178.3 | 0 | 0 | 0 | 112.6 | L8 P149 T150 G154 A155 L156 | L8-L152 HydrophobicContact CD1-CD1 4.5Å; P149-L152 HydrophobicContact CG-CD1 4.47Å; P149-L152 CarbonylContact O-C 3.57Å; P149-L152 PolarHBondContact O-N 3.34Å; T150-L152 VanDerWaalsContact C-N 3.35Å; T150-L152 PolarHBondContact O-N 3.42Å; L152-G154 VanDerWaalsContact C-N 3.33Å; L152-G154 PolarHBondContact O-N 3.23Å; L152-A155 PolarHBondContact O-N 3.03Å; L152-L156 HydrophobicContact CB-CD1 4.12Å; L152-L156 HydrophobicContact CB-CG 4.38Å; L152-L156 WeakPolarHBondContact O-CB 3.49Å; L152-L156 WeakPolarHBondContact O-CG 3.39Å; L152-L156 PolarHBondContact O-N 3.23Å |
| 153 | R | 77.1 | Confident | 84.1 | Confident | 66 Ų | 66 | 31 Ų | 31 | 25% | 0.249 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | -172.9 | -172.8 | -179.5 | -68.8 | 145.5 | 8.4 | 112.2 | G145 P149 T150 G157 R212 | G145-R153 PolarHBondContact O-NE 2.84Å; P149-R153 PolarHBondContact O-N 2.89Å; T150-R153 PolarHBondContact O-N 3.28Å; T150-R153 PolarHBondContact OG1-NH2 2.93Å; R153-G157 PolarHBondContact O-N 2.85Å; R153-R212 VanDerWaalsContact CZ-NH2 3.33Å; R153-R212 VanDerWaalsContact NH2-NH2 3.12Å |
| 154 | G | 70 | Confident | 84.2 | Confident | 41 Ų | 41 | 31.7 Ų | 31.7 | 42% | 0.423 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.4 | -58 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L152 L156 G157 T158 | L152-G154 VanDerWaalsContact C-N 3.33Å; L152-G154 PolarHBondContact O-N 3.23Å; G154-L156 VanDerWaalsContact C-N 3.35Å; G154-L156 PolarHBondContact O-N 3.45Å; G154-G157 WeakPolarHBondContact O-CA 3.33Å; G154-G157 PolarHBondContact O-N 3.29Å; G154-T158 WeakPolarHBondContact O-CG2 3.39Å; G154-T158 PolarHBondContact O-N 3.22Å; G154-T158 VanDerWaalsContact O-N 3.12Å |
| 155 | A | 77.9 | Confident | 84.4 | Confident | 57 Ų | 57 | 31.7 Ų | 31.7 | 47% | 0.471 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.9 | -39.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L152 T158 | L152-A155 PolarHBondContact O-N 3.03Å; A155-T158 PolarHBondContact O-OG1 3.39Å |
| 156 | L | 82.6 | Confident | 84.9 | Confident | 21 Ų | 21 | 33.3 Ų | 33.3 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.4 | -32 | 176.2 | -67.7 | 174.5 | 0 | 0 | 0 | 112 | L8 L12 V16 V144 S148 L152 G154 T158 L159 | L8-L156 HydrophobicContact CD1-CD1 4.49Å; L8-L156 HydrophobicContact CD1-CD2 4.35Å; L12-L156 HydrophobicContact CD2-CD1 4.11Å; L12-L156 HydrophobicContact CG-CD1 4.41Å; V16-L156 HydrophobicContact CG2-CD1 4.47Å; V144-L156 HydrophobicContact CG1-CB 3.93Å; V144-L156 WeakPolarHBondContact CG1-O 3.49Å; S148-L156 VanDerWaalsContact OG-CD1 3.23Å; S148-L156 WeakPolarHBondContact OG-CD1 3.42Å; L152-L156 HydrophobicContact CB-CD1 4.12Å; L152-L156 HydrophobicContact CB-CG 4.38Å; L152-L156 WeakPolarHBondContact O-CB 3.49Å; L152-L156 WeakPolarHBondContact O-CG 3.39Å; L152-L156 PolarHBondContact O-N 3.23Å; G154-L156 VanDerWaalsContact C-N 3.35Å; G154-L156 PolarHBondContact O-N 3.45Å; L156-T158 PolarHBondContact O-N 3.16Å; L156-L159 HydrophobicContact CD2-CD1 3.79Å; L156-L159 VanDerWaalsContact O-CB 3.32Å; L156-L159 WeakPolarHBondContact O-CB 3.43Å; L156-L159 PolarHBondContact O-N 2.95Å |
| 157 | G | 78.9 | Confident | 85.4 | Confident | 28 Ų | 28 | 32 Ų | 32 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.5 | -32 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | R153 G154 L159 H160 | R153-G157 PolarHBondContact O-N 2.85Å; G154-G157 WeakPolarHBondContact O-CA 3.33Å; G154-G157 PolarHBondContact O-N 3.29Å; G157-L159 PolarHBondContact O-N 2.98Å; G157-H160 VanDerWaalsContact O-CB 3.32Å; G157-H160 WeakPolarHBondContact O-CB 3.4Å; G157-H160 PolarHBondContact O-N 3.13Å; G157-H160 VanDerWaalsContact O-N 3.14Å |
| 158 | T | 81.3 | Confident | 85.6 | Confident | 24 Ų | 24 | 32.2 Ų | 32.2 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71 | -18.7 | 179.5 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | G154 A155 L156 H160 Q161 L162 L325 | G154-T158 WeakPolarHBondContact O-CG2 3.39Å; G154-T158 PolarHBondContact O-N 3.22Å; G154-T158 VanDerWaalsContact O-N 3.12Å; A155-T158 PolarHBondContact O-OG1 3.39Å; L156-T158 PolarHBondContact O-N 3.16Å; T158-H160 PolarHBondContact O-N 3.48Å; T158-H160 VanDerWaalsContact O-N 3.16Å; T158-Q161 PolarHBondContact O-N 3Å; T158-Q161 VanDerWaalsContact O-N 3.1Å; T158-L162 PolarHBondContact O-N 3.31Å; T158-L325 VanDerWaalsContact CB-CD2 3.42Å; T158-L325 HydrophobicContact CG2-CD2 3.75Å |
| 159 | L | 88.7 | Confident | 86 | Confident | 56 Ų | 56 | 34 Ų | 34 | 29% | 0.293 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -21.1 | 171.5 | -62.1 | 174.3 | 0 | 0 | 0 | 112.4 | V16 V20 L156 G157 L162 G163 | V16-L159 HydrophobicContact CG1-CD1 3.6Å; V20-L159 WeakPolarHBondContact CG1-O 3.25Å; V20-L159 HydrophobicContact CG2-CB 3.84Å; L156-L159 HydrophobicContact CD2-CD1 3.79Å; L156-L159 VanDerWaalsContact O-CB 3.32Å; L156-L159 WeakPolarHBondContact O-CB 3.43Å; L156-L159 PolarHBondContact O-N 2.95Å; G157-L159 PolarHBondContact O-N 2.98Å; L159-L162 HydrophobicContact CD2-CD2 4.11Å; L159-G163 PolarHBondContact O-N 3.36Å |
| 160 | H | 88.3 | Confident | 86.6 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -57.8 | 169.3 | -179.3 | 54.9 | 0 | 0 | 0 | 110.9 | S23 V140 G157 T158 L162 G163 I164 | S23-H160 WeakPolarHBondContact CB-ND1 3.35Å; S23-H160 VanDerWaalsContact CB-O 3.27Å; S23-H160 WeakPolarHBondContact CB-O 3.26Å; S23-H160 PolarHBondContact OG-ND1 3.27Å; V140-H160 HydrophobicContact CG1-CB 4.43Å; G157-H160 VanDerWaalsContact O-CB 3.32Å; G157-H160 WeakPolarHBondContact O-CB 3.4Å; G157-H160 PolarHBondContact O-N 3.13Å; G157-H160 VanDerWaalsContact O-N 3.14Å; T158-H160 PolarHBondContact O-N 3.48Å; T158-H160 VanDerWaalsContact O-N 3.16Å; H160-L162 VanDerWaalsContact C-N 3.33Å; H160-L162 PolarHBondContact O-N 2.94Å; H160-G163 PolarHBondContact O-N 2.64Å; H160-G163 VanDerWaalsContact O-N 3.16Å; H160-I164 WeakPolarHBondContact O-CG1 3.12Å; H160-I164 PolarHBondContact O-N 3.46Å; H160-I164 VanDerWaalsContact O-N 3.12Å |
| 161 | Q | 87.8 | Confident | 87.5 | Confident | 40 Ų | 40 | 33.8 Ų | 33.8 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 178.7 | -177.6 | 63.1 | 17.1 | 0 | 0 | 111.6 | T158 G163 I164 V165 T321 E380 | T158-Q161 PolarHBondContact O-N 3Å; T158-Q161 VanDerWaalsContact O-N 3.1Å; Q161-G163 VanDerWaalsContact C-N 3.3Å; Q161-G163 PolarHBondContact O-N 2.85Å; Q161-I164 WeakPolarHBondContact O-CB 3.27Å; Q161-I164 PolarHBondContact O-N 2.88Å; Q161-I164 VanDerWaalsContact O-N 3.09Å; Q161-V165 PolarHBondContact O-N 3.43Å; Q161-T321 HydrophobicContact CB-CG2 4.46Å; Q161-T321 HydrophobicContact CG-CG2 3.67Å; Q161-E380 PolarHBondContact NE2-OE1 3.46Å; Q161-E380 PolarHBondContact NE2-OE2 2.98Å |
| 162 | L | 90.3 | Very high | 88.4 | Confident | 46 Ų | 46 | 29.9 Ų | 29.9 | 24% | 0.241 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 176.6 | -174 | 61.9 | 0 | 0 | 0 | 111.7 | T158 L159 H160 I164 V165 V166 T318 V322 | T158-L162 PolarHBondContact O-N 3.31Å; L159-L162 HydrophobicContact CD2-CD2 4.11Å; H160-L162 VanDerWaalsContact C-N 3.33Å; H160-L162 PolarHBondContact O-N 2.94Å; L162-I164 VanDerWaalsContact C-N 3.3Å; L162-I164 PolarHBondContact O-N 3.4Å; L162-V165 HydrophobicContact CD1-CG2 4.19Å; L162-V165 WeakPolarHBondContact O-CG2 3.34Å; L162-V165 PolarHBondContact O-N 3.2Å; L162-V166 HydrophobicContact CD1-CG2 4.14Å; L162-V166 HydrophobicContact CG-CG2 4.31Å; L162-V166 WeakPolarHBondContact O-CB 3.08Å; L162-V166 VanDerWaalsContact O-CG2 3.22Å; L162-V166 WeakPolarHBondContact O-CG2 3.04Å; L162-V166 PolarHBondContact O-N 2.9Å; L162-T318 HydrophobicContact CD1-CG2 4.44Å; L162-V322 HydrophobicContact CD1-CG2 4.04Å |
| 163 | G | 94.3 | Very high | 89.4 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L24 L159 H160 Q161 G167 | L24-G163 WeakPolarHBondContact CA-O 3.45Å; L159-G163 PolarHBondContact O-N 3.36Å; H160-G163 PolarHBondContact O-N 2.64Å; H160-G163 VanDerWaalsContact O-N 3.16Å; Q161-G163 VanDerWaalsContact C-N 3.3Å; Q161-G163 PolarHBondContact O-N 2.85Å; G163-G167 PolarHBondContact O-N 3.49Å |
| 164 | I | 93.8 | Very high | 90.3 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.072 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -54.2 | 176.5 | -62.7 | 175.5 | 0 | 0 | 0 | 110.7 | S23 F26 G27 H160 Q161 L162 V166 G167 I168 | S23-I164 WeakPolarHBondContact O-CA 3.46Å; F26-I164 HydrophobicContact CD1-CB 4.18Å; F26-I164 HydrophobicContact CD1-CD1 3.6Å; F26-I164 HydrophobicContact CD1-CG1 3.56Å; F26-I164 HydrophobicContact CD1-CG2 3.67Å; F26-I164 HydrophobicContact CE1-CD1 3.81Å; F26-I164 HydrophobicContact CE1-CG1 4.2Å; F26-I164 HydrophobicContact CE1-CG2 3.84Å; F26-I164 HydrophobicContact CG-CD1 4.47Å; F26-I164 HydrophobicContact CG-CG1 4.39Å; G27-I164 WeakPolarHBondContact CA-O 3.42Å; H160-I164 WeakPolarHBondContact O-CG1 3.12Å; H160-I164 PolarHBondContact O-N 3.46Å; H160-I164 VanDerWaalsContact O-N 3.12Å; Q161-I164 WeakPolarHBondContact O-CB 3.27Å; Q161-I164 PolarHBondContact O-N 2.88Å; Q161-I164 VanDerWaalsContact O-N 3.09Å; L162-I164 VanDerWaalsContact C-N 3.3Å; L162-I164 PolarHBondContact O-N 3.4Å; I164-V166 PolarHBondContact O-N 2.85Å; I164-G167 WeakPolarHBondContact O-CA 3.47Å; I164-G167 PolarHBondContact O-N 3Å; I164-G167 VanDerWaalsContact O-N 3.12Å; I164-I168 HydrophobicContact CG2-CD1 4.15Å; I164-I168 WeakPolarHBondContact O-CG1 3.4Å; I164-I168 PolarHBondContact O-N 3.31Å |
| 165 | V | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.2 | -35.1 | -175.6 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | Q161 L162 I168 L169 N317 T318 T321 | Q161-V165 PolarHBondContact O-N 3.43Å; L162-V165 HydrophobicContact CD1-CG2 4.19Å; L162-V165 WeakPolarHBondContact O-CG2 3.34Å; L162-V165 PolarHBondContact O-N 3.2Å; V165-I168 PolarHBondContact O-N 2.94Å; V165-L169 PolarHBondContact O-N 3.29Å; V165-N317 WeakPolarHBondContact CG1-ND2 3.3Å; V165-T318 HydrophobicContact CG2-CG2 4.33Å; V165-T321 WeakPolarHBondContact CG1-OG1 3.35Å; V165-T321 HydrophobicContact CG2-CG2 4.09Å |
| 166 | V | 96.3 | Very high | 92.2 | Very high | 47 Ų | 47 | 26.2 Ų | 26.2 | 29% | 0.285 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.5 | -40 | 171.6 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L162 I164 I168 L169 I170 T318 | L162-V166 HydrophobicContact CD1-CG2 4.14Å; L162-V166 HydrophobicContact CG-CG2 4.31Å; L162-V166 WeakPolarHBondContact O-CB 3.08Å; L162-V166 VanDerWaalsContact O-CG2 3.22Å; L162-V166 WeakPolarHBondContact O-CG2 3.04Å; L162-V166 PolarHBondContact O-N 2.9Å; I164-V166 PolarHBondContact O-N 2.85Å; V166-I168 PolarHBondContact O-N 3.34Å; V166-L169 PolarHBondContact O-N 2.66Å; V166-I170 HydrophobicContact CG1-CD1 3.79Å; V166-I170 HydrophobicContact CG1-CG1 4.33Å; V166-I170 VanDerWaalsContact O-CG1 3.29Å; V166-I170 WeakPolarHBondContact O-CG1 3.22Å; V166-I170 PolarHBondContact O-N 2.71Å; V166-T318 HydrophobicContact CG2-CG2 4.2Å |
| 167 | G | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y28 G163 I164 I170 A171 | Y28-G167 WeakPolarHBondContact CA-O 3.43Å; G163-G167 PolarHBondContact O-N 3.49Å; I164-G167 WeakPolarHBondContact O-CA 3.47Å; I164-G167 PolarHBondContact O-N 3Å; I164-G167 VanDerWaalsContact O-N 3.12Å; G167-I170 PolarHBondContact O-N 2.98Å; G167-A171 WeakPolarHBondContact O-CB 3.34Å; G167-A171 PolarHBondContact O-N 3.41Å |
| 168 | I | 95.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 174.5 | -66.8 | 168.5 | 0 | 0 | 0 | 110.1 | G27 I164 V165 V166 I170 A171 Q172 F291 | G27-I168 VanDerWaalsContact O-CG1 3.24Å; G27-I168 WeakPolarHBondContact O-CG1 3.5Å; I164-I168 HydrophobicContact CG2-CD1 4.15Å; I164-I168 WeakPolarHBondContact O-CG1 3.4Å; I164-I168 PolarHBondContact O-N 3.31Å; V165-I168 PolarHBondContact O-N 2.94Å; V166-I168 PolarHBondContact O-N 3.34Å; I168-I170 PolarHBondContact O-N 3.19Å; I168-A171 WeakPolarHBondContact O-CB 3.28Å; I168-A171 PolarHBondContact O-N 2.96Å; I168-Q172 HydrophobicContact CG2-CG 4.43Å; I168-Q172 WeakPolarHBondContact O-CG 2.96Å; I168-Q172 PolarHBondContact O-N 3.28Å; I168-F291 HydrophobicContact CD1-CE2 4.42Å; I168-F291 HydrophobicContact CG2-CD1 4.36Å |
| 169 | L | 96.6 | Very high | 94 | Very high | 37 Ų | 37 | 36.1 Ų | 36.1 | 19% | 0.194 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 180 | 179 | 59.7 | 0 | 0 | 0 | 112.1 | V165 V166 A171 Q172 V173 I311 I315 | V165-L169 PolarHBondContact O-N 3.29Å; V166-L169 PolarHBondContact O-N 2.66Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-A171 PolarHBondContact O-N 3.49Å; L169-Q172 PolarHBondContact O-N 3.01Å; L169-V173 HydrophobicContact CD1-CG2 4.34Å; L169-V173 WeakPolarHBondContact O-CG2 3.41Å; L169-V173 PolarHBondContact O-N 3.49Å; L169-I311 HydrophobicContact CD1-CG2 4.1Å; L169-I315 HydrophobicContact CD1-CG1 3.88Å; L169-I315 HydrophobicContact CD2-CG1 4.41Å |
| 170 | I | 97.6 | Very high | 94.3 | Very high | 53 Ų | 53 | 35.1 Ų | 35.1 | 27% | 0.272 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.3 | -68.8 | 167.7 | 0 | 0 | 0 | 110.6 | L24 Y28 V166 G167 I168 Q172 V173 F174 | L24-I170 HydrophobicContact CD1-CD1 4.15Å; Y28-I170 HydrophobicContact CD2-CG2 4.12Å; Y28-I170 HydrophobicContact CE2-CG2 4.12Å; V166-I170 HydrophobicContact CG1-CD1 3.79Å; V166-I170 HydrophobicContact CG1-CG1 4.33Å; V166-I170 VanDerWaalsContact O-CG1 3.29Å; V166-I170 WeakPolarHBondContact O-CG1 3.22Å; V166-I170 PolarHBondContact O-N 2.71Å; G167-I170 PolarHBondContact O-N 2.98Å; I168-I170 PolarHBondContact O-N 3.19Å; I170-Q172 PolarHBondContact O-N 2.88Å; I170-V173 PolarHBondContact O-N 2.8Å; I170-F174 HydrophobicContact CG2-CD1 4.49Å; I170-F174 HydrophobicContact CG2-CD2 3.96Å; I170-F174 HydrophobicContact CG2-CE1 4.25Å; I170-F174 HydrophobicContact CG2-CE2 3.69Å; I170-F174 HydrophobicContact CG2-CG 4.35Å; I170-F174 HydrophobicContact CG2-CZ 3.85Å; I170-F174 WeakPolarHBondContact O-CB 3.48Å; I170-F174 WeakPolarHBondContact O-CG 3.5Å; I170-F174 PolarHBondContact O-N 2.89Å |
| 171 | A | 97 | Very high | 94.5 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y28 V32 G167 I168 L169 G175 | Y28-A171 HydrophobicContact CD2-CB 3.62Å; Y28-A171 HydrophobicContact CE2-CB 3.8Å; Y28-A171 HydrophobicContact CG-CB 4.02Å; Y28-A171 WeakPolarHBondContact O-CB 3.31Å; V32-A171 HydrophobicContact CB-CB 3.98Å; G167-A171 WeakPolarHBondContact O-CB 3.34Å; G167-A171 PolarHBondContact O-N 3.41Å; I168-A171 WeakPolarHBondContact O-CB 3.28Å; I168-A171 PolarHBondContact O-N 2.96Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-A171 PolarHBondContact O-N 3.49Å; A171-G175 PolarHBondContact O-N 3.09Å |
| 172 | Q | 94.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 176.1 | -69.5 | 172.7 | -18.4 | 0 | 0 | 111.9 | I168 L169 I170 G175 T310 I311 G314 | I168-Q172 HydrophobicContact CG2-CG 4.43Å; I168-Q172 WeakPolarHBondContact O-CG 2.96Å; I168-Q172 PolarHBondContact O-N 3.28Å; L169-Q172 PolarHBondContact O-N 3.01Å; I170-Q172 PolarHBondContact O-N 2.88Å; Q172-G175 PolarHBondContact O-N 2.93Å; Q172-T310 HydrophobicContact CG-CG2 3.86Å; Q172-T310 PolarHBondContact NE2-O 3.5Å; Q172-T310 PolarHBondContact OE1-O 3.48Å; Q172-I311 HydrophobicContact CB-CG1 3.93Å; Q172-G314 VanDerWaalsContact OE1-CA 3.3Å |
| 173 | V | 96.8 | Very high | 95.1 | Very high | 49 Ų | 49 | 36.6 Ų | 36.6 | 30% | 0.297 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.6 | -48.2 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L169 I170 G175 L176 I179 I311 | L169-V173 HydrophobicContact CD1-CG2 4.34Å; L169-V173 WeakPolarHBondContact O-CG2 3.41Å; L169-V173 PolarHBondContact O-N 3.49Å; I170-V173 PolarHBondContact O-N 2.8Å; V173-G175 PolarHBondContact O-N 3.2Å; V173-L176 WeakPolarHBondContact O-CB 3.35Å; V173-L176 WeakPolarHBondContact O-CD1 3.37Å; V173-L176 VanDerWaalsContact O-CG 3.31Å; V173-L176 WeakPolarHBondContact O-CG 3.46Å; V173-L176 PolarHBondContact O-N 3.29Å; V173-L176 VanDerWaalsContact O-N 3.09Å; V173-I179 HydrophobicContact CG1-CD1 4.1Å; V173-I311 HydrophobicContact CG2-CD1 4.4Å; V173-I311 HydrophobicContact CG2-CG1 4.44Å; V173-I311 HydrophobicContact CG2-CG2 4.21Å |
| 174 | F | 97.1 | Very high | 95.1 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.1 | -26.6 | 178 | -70.3 | -2.3 | 0 | 0 | 0 | 112.7 | Y28 I170 L176 I179 M180 G181 L189 | Y28-F174 AromaticContact CE2-CD2 3.89Å; Y28-F174 HydrophobicContact CE2-CD2 3.89Å; Y28-F174 HydrophobicContact CE2-CE2 4.5Å; I170-F174 HydrophobicContact CG2-CD1 4.49Å; I170-F174 HydrophobicContact CG2-CD2 3.96Å; I170-F174 HydrophobicContact CG2-CE1 4.25Å; I170-F174 HydrophobicContact CG2-CE2 3.69Å; I170-F174 HydrophobicContact CG2-CG 4.35Å; I170-F174 HydrophobicContact CG2-CZ 3.85Å; I170-F174 WeakPolarHBondContact O-CB 3.48Å; I170-F174 WeakPolarHBondContact O-CG 3.5Å; I170-F174 PolarHBondContact O-N 2.89Å; F174-L176 PolarHBondContact O-N 3.46Å; F174-I179 HydrophobicContact CD1-CG2 4.32Å; F174-M180 PolarHBondContact O-N 3.31Å; F174-M180 VanDerWaalsContact O-N 3.09Å; F174-G181 PolarHBondContact O-N 3.3Å; F174-L189 HydrophobicContact CB-CD1 3.5Å; F174-L189 VanDerWaalsContact CB-CD1 3.5Å |
| 175 | G | 94.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -0.3 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | A35 A171 Q172 V173 G181 | A35-G175 WeakPolarHBondContact CB-O 3.46Å; A171-G175 PolarHBondContact O-N 3.09Å; Q172-G175 PolarHBondContact O-N 2.93Å; V173-G175 PolarHBondContact O-N 3.2Å; G175-G181 WeakPolarHBondContact O-CA 3.39Å |
| 176 | L | 93.3 | Very high | 95.5 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 12% | 0.12 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -63.3 | 141.6 | 168.9 | -74.1 | 166.2 | 0 | 0 | 0 | 110.8 | V173 F174 S178 I179 M180 G181 V307 Y308 I311 | V173-L176 WeakPolarHBondContact O-CB 3.35Å; V173-L176 WeakPolarHBondContact O-CD1 3.37Å; V173-L176 VanDerWaalsContact O-CG 3.31Å; V173-L176 WeakPolarHBondContact O-CG 3.46Å; V173-L176 PolarHBondContact O-N 3.29Å; V173-L176 VanDerWaalsContact O-N 3.09Å; F174-L176 PolarHBondContact O-N 3.46Å; L176-S178 PolarHBondContact O-N 3.02Å; L176-I179 HydrophobicContact CB-CD1 4.48Å; L176-I179 HydrophobicContact CB-CG1 4.31Å; L176-I179 HydrophobicContact CD1-CD1 4.25Å; L176-I179 PolarHBondContact O-N 3.01Å; L176-M180 PolarHBondContact O-N 3.21Å; L176-G181 PolarHBondContact O-N 3.46Å; L176-V307 HydrophobicContact CD2-CB 4.29Å; L176-V307 HydrophobicContact CD2-CG1 3.61Å; L176-V307 HydrophobicContact CG-CG1 4.27Å; L176-Y308 HydrophobicContact CD2-CD2 4.47Å; L176-Y308 HydrophobicContact CD2-CE1 4.38Å; L176-Y308 HydrophobicContact CD2-CE2 4.15Å; L176-I311 HydrophobicContact CD1-CD1 3.84Å; L176-I311 HydrophobicContact CD2-CD1 3.77Å; L176-I311 HydrophobicContact CG-CD1 3.77Å |
| 177 | D | 91.6 | Very high | 95.6 | Very high | 112 Ų | 112 | 42.8 Ų | 42.8 | 60% | 0.599 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -38.2 | 174.9 | -175.1 | 60.6 | 0 | 0 | 0 | 111.8 | I179 N182 | D177-I179 PolarHBondContact O-N 3.41Å; D177-N182 PolarHBondContact O-ND2 2.91Å; D177-N182 WeakPolarHBondContact OD1-CB 3.33Å |
| 178 | S | 93 | Very high | 95.6 | Very high | 104 Ų | 104 | 46 Ų | 46 | 73% | 0.727 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.7 | 177.2 | -47.7 | 0 | 0 | 0 | 0 | 115.2 | L176 | L176-S178 PolarHBondContact O-N 3.02Š|
| 179 | I | 95.1 | Very high | 95.7 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 34% | 0.338 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -79.3 | -176.1 | -58.1 | -177.8 | 0 | 0 | 0 | 110.8 | V173 F174 L176 D177 L185 | V173-I179 HydrophobicContact CG1-CD1 4.1Å; F174-I179 HydrophobicContact CD1-CG2 4.32Å; L176-I179 HydrophobicContact CB-CD1 4.48Å; L176-I179 HydrophobicContact CB-CG1 4.31Å; L176-I179 HydrophobicContact CD1-CD1 4.25Å; L176-I179 PolarHBondContact O-N 3.01Å; D177-I179 PolarHBondContact O-N 3.41Å; I179-L185 WeakPolarHBondContact O-CD1 3.33Å |
| 180 | M | 95.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 44 Ų | 44 | 17% | 0.167 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.3 | -4.7 | -178.8 | -66.3 | 174.5 | -174 | 0 | 0 | 113.7 | F174 L176 N182 L185 W186 L188 L189 | F174-M180 PolarHBondContact O-N 3.31Å; F174-M180 VanDerWaalsContact O-N 3.09Å; L176-M180 PolarHBondContact O-N 3.21Å; M180-N182 PolarHBondContact O-N 2.92Å; M180-N182 VanDerWaalsContact O-N 3.11Å; M180-L185 HydrophobicContact CB-CB 4.2Å; M180-L185 HydrophobicContact CG-CB 4.41Å; M180-L185 CarbonylContact O-C 3.59Å; M180-W186 WeakPolarHBondContact O-CA 3.31Å; M180-W186 PolarHBondContact O-N 3.14Å; M180-W186 VanDerWaalsContact O-N 3.12Å; M180-L188 HydrophobicContact CE-CD2 3.94Å; M180-L188 HydrophobicContact CE-CG 4.27Å; M180-L188 HydrophobicContact SD-CD2 4.3Å; M180-L188 HydrophobicContact SD-CG 4.16Å; M180-L189 HydrophobicContact CB-CB 3.86Å; M180-L189 HydrophobicContact CB-CD1 4.06Å; M180-L189 HydrophobicContact CB-CG 4.46Å |
| 181 | G | 93.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | trans | -80.3 | 24.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | F174 G175 L176 | F174-G181 PolarHBondContact O-N 3.3Å; G175-G181 WeakPolarHBondContact O-CA 3.39Å; L176-G181 PolarHBondContact O-N 3.46Å | ||
| 182 | N | 94.6 | Very high | 95.8 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 16% | 0.16 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -105.7 | 174.8 | -177.6 | 55 | 60.2 | 0 | 0 | 0 | 111.8 | D177 M180 D184 L185 W186 | D177-N182 PolarHBondContact O-ND2 2.91Å; D177-N182 WeakPolarHBondContact OD1-CB 3.33Å; M180-N182 PolarHBondContact O-N 2.92Å; M180-N182 VanDerWaalsContact O-N 3.11Å; N182-D184 PolarHBondContact O-N 3.22Å; N182-D184 PolarHBondContact OD1-N 3.27Å; N182-L185 WeakPolarHBondContact OD1-CB 3.31Å; N182-L185 PolarHBondContact OD1-N 3.43Å; N182-W186 PolarHBondContact O-N 2.79Å |
| 183 | E | 94.8 | Very high | 95.9 | Very high | 105 Ų | 105 | 43.8 Ų | 43.8 | 49% | 0.491 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -36.4 | -177.4 | -174.5 | 175.4 | 178.1 | 0 | 0 | 112.6 | K114 W186 | K114-E183 PolarHBondContact NZ-O 2.9Å; E183-W186 PolarHBondContact O-NE1 3.41Å |
| 184 | D | 94.9 | Very high | 96 | Very high | 117 Ų | 117 | 45.2 Ų | 45.2 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -42.1 | -173.6 | -68.6 | -36.9 | 0 | 0 | 0 | 113.7 | K114 N182 P187 | K114-D184 IonicContact NZ-OD1 3.81Å; N182-D184 PolarHBondContact O-N 3.22Å; N182-D184 PolarHBondContact OD1-N 3.27Å; D184-P187 WeakPolarHBondContact O-CD 3.47Å |
| 185 | L | 97.5 | Very high | 96 | Very high | 71 Ų | 71 | 45.3 Ų | 45.3 | 37% | 0.372 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -2.7 | -167.3 | -63.3 | 178.8 | 0 | 0 | 0 | 114.8 | I179 M180 N182 P187 L188 L189 | I179-L185 WeakPolarHBondContact O-CD1 3.33Å; M180-L185 HydrophobicContact CB-CB 4.2Å; M180-L185 HydrophobicContact CG-CB 4.41Å; M180-L185 CarbonylContact O-C 3.59Å; N182-L185 WeakPolarHBondContact OD1-CB 3.31Å; N182-L185 PolarHBondContact OD1-N 3.43Å; L185-P187 VanDerWaalsContact C-N 3.27Å; L185-L188 WeakPolarHBondContact O-CA 3.33Å; L185-L188 WeakPolarHBondContact O-CB 3.5Å; L185-L188 PolarHBondContact O-N 2.79Å; L185-L189 PolarHBondContact O-N 3.12Å |
| 186 | W | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.3 | -30.8 | 176.3 | 75.7 | -99.3 | 0 | 0 | 0 | 114.5 | P36 V39 I40 F43 S113 K114 L122 M180 N182 E183 L188 L189 L190 | P36-W186 HydrophobicContact CB-CB 4.34Å; V39-W186 HydrophobicContact CG2-CB 4.04Å; V39-W186 HydrophobicContact CG2-CG 4.21Å; I40-W186 HydrophobicContact CD1-CE3 4.03Å; I40-W186 HydrophobicContact CG1-CD2 3.83Å; I40-W186 HydrophobicContact CG1-CE3 3.69Å; I40-W186 HydrophobicContact CG1-CG 4.26Å; I40-W186 HydrophobicContact CG1-CZ3 4.16Å; F43-W186 HydrophobicContact CB-CZ2 3.91Å; F43-W186 AromaticContact CD1-CH2 3.65Å; F43-W186 HydrophobicContact CD1-CH2 3.65Å; F43-W186 AromaticContact CD1-CZ2 3.54Å; F43-W186 HydrophobicContact CD1-CZ2 3.54Å; F43-W186 HydrophobicContact CD2-CZ2 4.04Å; F43-W186 AromaticContact CE1-CH2 3.83Å; F43-W186 HydrophobicContact CE1-CH2 3.83Å; F43-W186 HydrophobicContact CE1-CZ2 4.06Å; F43-W186 HydrophobicContact CE2-CZ2 4.49Å; F43-W186 HydrophobicContact CG-CH2 4.14Å; F43-W186 AromaticContact CG-CZ2 3.54Å; F43-W186 HydrophobicContact CG-CZ2 3.54Å; F43-W186 HydrophobicContact CZ-CH2 4.44Å; S113-W186 WeakPolarHBondContact OG-CH2 3.5Å; K114-W186 HydrophobicContact CB-CH2 4.23Å; K114-W186 HydrophobicContact CB-CZ2 3.75Å; K114-W186 HydrophobicContact CD-CZ2 4.22Å; K114-W186 HydrophobicContact CG-CZ2 4.07Å; L122-W186 HydrophobicContact CD1-CH2 3.86Å; L122-W186 HydrophobicContact CD1-CZ3 3.61Å; M180-W186 WeakPolarHBondContact O-CA 3.31Å; M180-W186 PolarHBondContact O-N 3.14Å; M180-W186 VanDerWaalsContact O-N 3.12Å; N182-W186 PolarHBondContact O-N 2.79Å; E183-W186 PolarHBondContact O-NE1 3.41Å; W186-L188 VanDerWaalsContact C-N 3.31Å; W186-L188 PolarHBondContact O-N 3.23Å; W186-L189 VanDerWaalsContact O-CB 3.31Å; W186-L189 WeakPolarHBondContact O-CB 3.34Å; W186-L189 PolarHBondContact O-N 2.83Å; W186-L190 HydrophobicContact CE3-CD1 3.83Å; W186-L190 HydrophobicContact CE3-CG 4.39Å; W186-L190 HydrophobicContact CZ3-CD1 3.74Å; W186-L190 PolarHBondContact O-N 3.38Å |
| 187 | P | 97.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.7 | -35.7 | 174.5 | -19.3 | 33.6 | 0 | 0 | 0 | 111.6 | G111 K114 D184 L185 L190 S191 | G111-P187 VanDerWaalsContact O-CB 3.25Å; G111-P187 WeakPolarHBondContact O-CB 3.4Å; K114-P187 HydrophobicContact CB-CB 4.45Å; K114-P187 HydrophobicContact CB-CG 3.63Å; K114-P187 HydrophobicContact CD-CG 3.81Å; K114-P187 HydrophobicContact CG-CG 4.32Å; D184-P187 WeakPolarHBondContact O-CD 3.47Å; L185-P187 VanDerWaalsContact C-N 3.27Å; P187-L190 PolarHBondContact O-N 2.96Å; P187-S191 VanDerWaalsContact O-CB 3.28Å; P187-S191 WeakPolarHBondContact O-CB 3.49Å; P187-S191 PolarHBondContact O-N 2.94Å |
| 188 | L | 97.8 | Very high | 96.7 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.1 | -39.3 | 173.7 | -179 | 62.2 | 0 | 0 | 0 | 111 | M180 L185 W186 L190 S191 I192 | M180-L188 HydrophobicContact CE-CD2 3.94Å; M180-L188 HydrophobicContact CE-CG 4.27Å; M180-L188 HydrophobicContact SD-CD2 4.3Å; M180-L188 HydrophobicContact SD-CG 4.16Å; L185-L188 WeakPolarHBondContact O-CA 3.33Å; L185-L188 WeakPolarHBondContact O-CB 3.5Å; L185-L188 PolarHBondContact O-N 2.79Å; W186-L188 VanDerWaalsContact C-N 3.31Å; W186-L188 PolarHBondContact O-N 3.23Å; L188-L190 PolarHBondContact O-N 3.33Å; L188-S191 PolarHBondContact O-N 2.85Å; L188-S191 VanDerWaalsContact O-N 3.07Å; L188-I192 HydrophobicContact CD1-CD1 4.32Å; L188-I192 WeakPolarHBondContact O-CB 3.42Å; L188-I192 PolarHBondContact O-N 2.7Å |
| 189 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.5 | -42.6 | 174 | 179.7 | 65.6 | 0 | 0 | 0 | 111.6 | Y28 V32 P36 F174 M180 L185 W186 | Y28-L189 WeakPolarHBondContact CE1-O 3.43Å; Y28-L189 WeakPolarHBondContact OH-CD1 3.49Å; Y28-L189 PolarHBondContact OH-O 3.36Å; V32-L189 HydrophobicContact CG2-CD1 3.97Å; V32-L189 HydrophobicContact CG2-CD2 4.12Å; V32-L189 HydrophobicContact CG2-CG 3.57Å; P36-L189 HydrophobicContact CB-CD2 4.02Å; P36-L189 HydrophobicContact CG-CD2 3.74Å; F174-L189 HydrophobicContact CB-CD1 3.5Å; F174-L189 VanDerWaalsContact CB-CD1 3.5Å; M180-L189 HydrophobicContact CB-CB 3.86Å; M180-L189 HydrophobicContact CB-CD1 4.06Å; M180-L189 HydrophobicContact CB-CG 4.46Å; L185-L189 PolarHBondContact O-N 3.12Å; W186-L189 VanDerWaalsContact O-CB 3.31Å; W186-L189 WeakPolarHBondContact O-CB 3.34Å; W186-L189 PolarHBondContact O-N 2.83Å |
| 190 | L | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -76.6 | -34.2 | 176.1 | -60.4 | -177.7 | 0 | 0 | 0 | 112.9 | V32 I33 I40 M110 L122 W186 P187 L188 | V32-L190 HydrophobicContact CB-CD2 4.47Å; V32-L190 HydrophobicContact CG1-CD2 3.76Å; V32-L190 HydrophobicContact CG2-CD2 3.91Å; I33-L190 HydrophobicContact CG2-CD2 4.44Å; I40-L190 HydrophobicContact CD1-CD1 4.4Å; M110-L190 HydrophobicContact CB-CB 3.83Å; M110-L190 HydrophobicContact CB-CD1 4.23Å; M110-L190 HydrophobicContact CE-CB 4.27Å; M110-L190 WeakPolarHBondContact CE-O 3.32Å; M110-L190 HydrophobicContact SD-CB 4.18Å; M110-L190 HydrophobicContact SD-CD1 4.43Å; L122-L190 HydrophobicContact CD1-CD1 4.18Å; L122-L190 HydrophobicContact CG-CD1 4.36Å; W186-L190 HydrophobicContact CE3-CD1 3.83Å; W186-L190 HydrophobicContact CE3-CG 4.39Å; W186-L190 HydrophobicContact CZ3-CD1 3.74Å; W186-L190 PolarHBondContact O-N 3.38Å; P187-L190 PolarHBondContact O-N 2.96Å; L188-L190 PolarHBondContact O-N 3.33Å |
| 191 | S | 97.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 12% | 0.119 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -79.4 | -26.3 | -175.2 | -162.3 | 0 | 0 | 0 | 0 | 113.6 | A107 P187 L188 I193 F194 | A107-S191 WeakPolarHBondContact CB-O 3.3Å; A107-S191 WeakPolarHBondContact O-CB 3.37Å; A107-S191 PolarHBondContact O-OG 2.85Å; P187-S191 VanDerWaalsContact O-CB 3.28Å; P187-S191 WeakPolarHBondContact O-CB 3.49Å; P187-S191 PolarHBondContact O-N 2.94Å; L188-S191 PolarHBondContact O-N 2.85Å; L188-S191 VanDerWaalsContact O-N 3.07Å; S191-I193 PolarHBondContact O-N 3.27Å; S191-F194 WeakPolarHBondContact O-CD1 3.28Å; S191-F194 PolarHBondContact O-N 2.88Å |
| 192 | I | 97.9 | Very high | 97.3 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 16% | 0.164 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -14.3 | -172.9 | -157.8 | 67.5 | 0 | 0 | 0 | 114.2 | Y28 L188 F194 V195 P196 | Y28-I192 HydrophobicContact CE1-CG2 3.88Å; Y28-I192 HydrophobicContact CE2-CG2 4.2Å; Y28-I192 VanDerWaalsContact CZ-CG2 3.46Å; Y28-I192 WeakPolarHBondContact OH-CG2 3.49Å; L188-I192 HydrophobicContact CD1-CD1 4.32Å; L188-I192 WeakPolarHBondContact O-CB 3.42Å; L188-I192 PolarHBondContact O-N 2.7Å; I192-F194 HydrophobicContact CD1-CE1 4.2Å; I192-F194 HydrophobicContact CD1-CZ 4.46Å; I192-F194 PolarHBondContact O-N 2.76Å; I192-V195 HydrophobicContact CD1-CG2 3.75Å; I192-V195 HydrophobicContact CG1-CG2 4.12Å; I192-V195 WeakPolarHBondContact O-CB 3.26Å; I192-V195 PolarHBondContact O-N 3.01Å; I192-P196 WeakPolarHBondContact O-CD 3.28Å |
| 193 | I | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -21.9 | 168.2 | 66.6 | 173.5 | 0 | 0 | 0 | 113 | Q25 Y28 A107 M110 I129 S191 V195 P196 A197 | Q25-I193 PolarHBondContact NE2-O 2.87Å; Y28-I193 HydrophobicContact CD1-CG2 3.47Å; Y28-I193 VanDerWaalsContact CD1-CG2 3.47Å; Y28-I193 HydrophobicContact CE1-CG2 3.7Å; Y28-I193 HydrophobicContact CG-CG2 4.5Å; A107-I193 HydrophobicContact CB-CD1 4.22Å; A107-I193 HydrophobicContact CB-CG1 3.81Å; M110-I193 HydrophobicContact CE-CD1 3.6Å; I129-I193 HydrophobicContact CD1-CD1 3.77Å; I129-I193 HydrophobicContact CG1-CD1 4Å; S191-I193 PolarHBondContact O-N 3.27Å; I193-V195 PolarHBondContact O-N 2.95Å; I193-P196 VanDerWaalsContact O-CD 3.25Å; I193-P196 WeakPolarHBondContact O-CD 3.32Å; I193-P196 WeakPolarHBondContact O-CG 3.4Å; I193-A197 WeakPolarHBondContact O-CB 3.35Å; I193-A197 PolarHBondContact O-N 3.43Å |
| 194 | F | 97.4 | Very high | 97.6 | Very high | 79 Ų | 79 | 38.7 Ų | 38.7 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.7 | -27.7 | 172.6 | 80.4 | -100.1 | 0 | 0 | 0 | 112.6 | F104 A107 S191 I192 A197 L198 | F104-F194 HydrophobicContact CD1-CB 4.05Å; F104-F194 HydrophobicContact CE1-CB 4.05Å; A107-F194 HydrophobicContact CB-CB 4.02Å; S191-F194 WeakPolarHBondContact O-CD1 3.28Å; S191-F194 PolarHBondContact O-N 2.88Å; I192-F194 HydrophobicContact CD1-CE1 4.2Å; I192-F194 HydrophobicContact CD1-CZ 4.46Å; I192-F194 PolarHBondContact O-N 2.76Å; F194-A197 PolarHBondContact O-N 3.01Å; F194-L198 VanDerWaalsContact O-CB 3.23Å; F194-L198 WeakPolarHBondContact O-CB 3.17Å; F194-L198 PolarHBondContact O-N 3.42Å |
| 195 | V | 97.9 | Very high | 97.7 | Very high | 70 Ų | 70 | 36 Ų | 36 | 42% | 0.424 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.2 | -57.3 | -179.7 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | I192 I193 A197 L198 L199 | I192-V195 HydrophobicContact CD1-CG2 3.75Å; I192-V195 HydrophobicContact CG1-CG2 4.12Å; I192-V195 WeakPolarHBondContact O-CB 3.26Å; I192-V195 PolarHBondContact O-N 3.01Å; I193-V195 PolarHBondContact O-N 2.95Å; V195-A197 VanDerWaalsContact C-N 3.26Å; V195-A197 PolarHBondContact O-N 3.09Å; V195-L198 PolarHBondContact O-N 2.99Å; V195-L199 WeakPolarHBondContact O-CB 3.27Å; V195-L199 PolarHBondContact O-N 3.42Å |
| 196 | P | 97.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -31.5 | 174.7 | 22.8 | -32.2 | 0 | 0 | 0 | 112.6 | Q25 I192 I193 Q200 | Q25-P196 HydrophobicContact CG-CB 3.99Å; Q25-P196 HydrophobicContact CG-CG 3.64Å; I192-P196 WeakPolarHBondContact O-CD 3.28Å; I193-P196 VanDerWaalsContact O-CD 3.25Å; I193-P196 WeakPolarHBondContact O-CD 3.32Å; I193-P196 WeakPolarHBondContact O-CG 3.4Å; P196-Q200 VanDerWaalsContact O-CB 3.22Å; P196-Q200 WeakPolarHBondContact O-CB 3.42Å; P196-Q200 PolarHBondContact O-N 2.99Å |
| 197 | A | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N100 A103 F104 I193 F194 V195 Q200 C201 | N100-A197 WeakPolarHBondContact OD1-CA 3.36Å; N100-A197 WeakPolarHBondContact OD1-CB 3.46Å; A103-A197 HydrophobicContact CB-CB 3.94Å; F104-A197 HydrophobicContact CE1-CB 4.37Å; F104-A197 HydrophobicContact CE2-CB 4.27Å; F104-A197 HydrophobicContact CZ-CB 4.1Å; I193-A197 WeakPolarHBondContact O-CB 3.35Å; I193-A197 PolarHBondContact O-N 3.43Å; F194-A197 PolarHBondContact O-N 3.01Å; V195-A197 VanDerWaalsContact C-N 3.26Å; V195-A197 PolarHBondContact O-N 3.09Å; A197-Q200 PolarHBondContact O-N 3.12Å; A197-C201 WeakPolarHBondContact O-CB 3.32Å; A197-C201 PolarHBondContact O-N 2.98Å; A197-C201 PolarHBondContact O-SG 3.31Å |
| 198 | L | 98.2 | Very high | 97.5 | Very high | 84 Ų | 84 | 39.3 Ų | 39.3 | 44% | 0.44 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 176.7 | 179.4 | 61.7 | 0 | 0 | 0 | 111.3 | F104 F194 V195 Q200 C201 I202 | F104-L198 HydrophobicContact CE1-CB 4.32Å; F104-L198 HydrophobicContact CZ-CB 4Å; F104-L198 HydrophobicContact CZ-CD1 4.41Å; F194-L198 VanDerWaalsContact O-CB 3.23Å; F194-L198 WeakPolarHBondContact O-CB 3.17Å; F194-L198 PolarHBondContact O-N 3.42Å; V195-L198 PolarHBondContact O-N 2.99Å; L198-Q200 VanDerWaalsContact C-N 3.29Å; L198-Q200 PolarHBondContact O-N 2.71Å; L198-C201 WeakPolarHBondContact O-CB 3.21Å; L198-C201 PolarHBondContact O-N 2.79Å; L198-I202 HydrophobicContact CD1-CD1 4.34Å; L198-I202 HydrophobicContact CG-CD1 4.15Å; L198-I202 WeakPolarHBondContact O-CG1 3.43Å; L198-I202 PolarHBondContact O-N 3.38Å |
| 199 | L | 97.9 | Very high | 97.4 | Very high | 86 Ų | 86 | 37 Ų | 37 | 45% | 0.45 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 175.5 | -178.5 | 61.8 | 0 | 0 | 0 | 111 | L21 V195 I202 V203 | L21-L199 HydrophobicContact CD1-CB 4.33Å; L21-L199 HydrophobicContact CD1-CD2 3.99Å; L21-L199 HydrophobicContact CD1-CG 3.89Å; L21-L199 HydrophobicContact CD2-CD2 4.08Å; V195-L199 WeakPolarHBondContact O-CB 3.27Å; V195-L199 PolarHBondContact O-N 3.42Å; L199-I202 PolarHBondContact O-N 3.12Å; L199-V203 HydrophobicContact CD1-CG2 4.17Å; L199-V203 HydrophobicContact CG-CG2 4.45Å; L199-V203 WeakPolarHBondContact O-CB 3.17Å; L199-V203 VanDerWaalsContact O-CG2 3.28Å; L199-V203 WeakPolarHBondContact O-CG2 3.45Å; L199-V203 PolarHBondContact O-N 2.93Å |
| 200 | Q | 97.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.2 | -170.3 | 177.4 | 61.7 | 0 | 0 | 112 | G18 L21 N100 Y132 P196 A197 L198 I202 V203 L204 | G18-Q200 PolarHBondContact O-NE2 3.24Å; L21-Q200 HydrophobicContact CB-CB 4.25Å; L21-Q200 HydrophobicContact CB-CG 4.43Å; L21-Q200 HydrophobicContact CD1-CB 3.88Å; L21-Q200 HydrophobicContact CD1-CG 4.43Å; N100-Q200 PolarHBondContact ND2-OE1 3.36Å; N100-Q200 PolarHBondContact OD1-OE1 2.61Å; Y132-Q200 PolarHBondContact OH-OE1 3.06Å; P196-Q200 VanDerWaalsContact O-CB 3.22Å; P196-Q200 WeakPolarHBondContact O-CB 3.42Å; P196-Q200 PolarHBondContact O-N 2.99Å; A197-Q200 PolarHBondContact O-N 3.12Å; L198-Q200 VanDerWaalsContact C-N 3.29Å; L198-Q200 PolarHBondContact O-N 2.71Å; Q200-I202 VanDerWaalsContact C-N 3.27Å; Q200-I202 PolarHBondContact O-N 3.41Å; Q200-V203 PolarHBondContact O-N 3.41Å; Q200-L204 HydrophobicContact CG-CD1 3.51Å; Q200-L204 HydrophobicContact CG-CD2 4.43Å; Q200-L204 HydrophobicContact CG-CG 3.67Å; Q200-L204 WeakPolarHBondContact O-CB 3.19Å; Q200-L204 VanDerWaalsContact O-CG 3.28Å; Q200-L204 WeakPolarHBondContact O-CG 3.44Å; Q200-L204 PolarHBondContact O-N 2.8Å |
| 201 | C | 98.2 | Very high | 96.9 | Very high | 33 Ų | 33 | 37 Ų | 37 | 22% | 0.223 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -34.5 | 173 | -80.7 | 0 | 0 | 0 | 0 | 113.1 | L97 N100 A197 L198 P205 | L97-C201 HydrophobicContact CD1-CB 4.22Å; N100-C201 WeakPolarHBondContact CB-SG 3.48Å; A197-C201 WeakPolarHBondContact O-CB 3.32Å; A197-C201 PolarHBondContact O-N 2.98Å; A197-C201 PolarHBondContact O-SG 3.31Å; L198-C201 WeakPolarHBondContact O-CB 3.21Å; L198-C201 PolarHBondContact O-N 2.79Å; C201-P205 WeakPolarHBondContact O-CD 3.44Å; C201-P205 VanDerWaalsContact O-CG 3.22Å; C201-P205 WeakPolarHBondContact O-CG 3.47Å |
| 202 | I | 97.9 | Very high | 96.5 | Very high | 93 Ų | 93 | 38 Ų | 38 | 48% | 0.477 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -74.3 | -43.2 | 175.9 | -65.9 | 164.3 | 0 | 0 | 0 | 110.3 | L198 L199 Q200 P205 F206 | L198-I202 HydrophobicContact CD1-CD1 4.34Å; L198-I202 HydrophobicContact CG-CD1 4.15Å; L198-I202 WeakPolarHBondContact O-CG1 3.43Å; L198-I202 PolarHBondContact O-N 3.38Å; L199-I202 PolarHBondContact O-N 3.12Å; Q200-I202 VanDerWaalsContact C-N 3.27Å; Q200-I202 PolarHBondContact O-N 3.41Å; I202-P205 WeakPolarHBondContact O-CD 3.27Å; I202-F206 HydrophobicContact CG2-CE2 4.48Å; I202-F206 WeakPolarHBondContact O-CD2 3.43Å; I202-F206 WeakPolarHBondContact O-CE2 3.45Å |
| 203 | V | 97.5 | Very high | 96.1 | Very high | 25 Ų | 25 | 36.9 Ų | 36.9 | 15% | 0.152 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.3 | -44.3 | -173.3 | 171.4 | 0 | 0 | 0 | 0 | 112.8 | L14 L199 Q200 F206 C207 | L14-V203 HydrophobicContact CD1-CG1 3.8Å; L14-V203 HydrophobicContact CG-CG1 4.23Å; L199-V203 HydrophobicContact CD1-CG2 4.17Å; L199-V203 HydrophobicContact CG-CG2 4.45Å; L199-V203 WeakPolarHBondContact O-CB 3.17Å; L199-V203 VanDerWaalsContact O-CG2 3.28Å; L199-V203 WeakPolarHBondContact O-CG2 3.45Å; L199-V203 PolarHBondContact O-N 2.93Å; Q200-V203 PolarHBondContact O-N 3.41Å; V203-F206 PolarHBondContact O-N 3.36Å; V203-C207 PolarHBondContact O-N 3.23Å; V203-C207 PolarHBondContact O-SG 3.48Å |
| 204 | L | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -36.4 | -172.6 | -74 | -179.7 | 0 | 0 | 0 | 115.2 | R93 M96 L97 Q200 F206 C207 | R93-L204 VanDerWaalsContact CD-O 3.29Å; R93-L204 WeakPolarHBondContact CD-O 3.22Å; R93-L204 HydrophobicContact CG-CB 4.49Å; R93-L204 HydrophobicContact CG-CD2 4.41Å; M96-L204 HydrophobicContact CB-CD1 3.71Å; M96-L204 HydrophobicContact CE-CD1 4.25Å; M96-L204 HydrophobicContact CE-CD2 3.8Å; L97-L204 HydrophobicContact CB-CB 4.44Å; L97-L204 HydrophobicContact CB-CD1 4.01Å; L97-L204 HydrophobicContact CD1-CB 4.34Å; Q200-L204 HydrophobicContact CG-CD1 3.51Å; Q200-L204 HydrophobicContact CG-CD2 4.43Å; Q200-L204 HydrophobicContact CG-CG 3.67Å; Q200-L204 WeakPolarHBondContact O-CB 3.19Å; Q200-L204 VanDerWaalsContact O-CG 3.28Å; Q200-L204 WeakPolarHBondContact O-CG 3.44Å; Q200-L204 PolarHBondContact O-N 2.8Å; L204-F206 PolarHBondContact O-N 3.21Å; L204-C207 HydrophobicContact CD2-CB 4.46Å; L204-C207 WeakPolarHBondContact O-CB 3.4Å; L204-C207 PolarHBondContact O-N 3.22Å |
| 205 | P | 97.4 | Very high | 95.6 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 40% | 0.403 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.9 | 173.3 | -29.4 | 36.7 | 0 | 0 | 0 | 113.9 | R93 L97 C201 I202 | R93-P205 PolarHBondContact NH1-O 3.06Å; L97-P205 HydrophobicContact CD2-CG 4.29Å; C201-P205 WeakPolarHBondContact O-CD 3.44Å; C201-P205 VanDerWaalsContact O-CG 3.22Å; C201-P205 WeakPolarHBondContact O-CG 3.47Å; I202-P205 WeakPolarHBondContact O-CD 3.27Å |
| 206 | F | 96.5 | Very high | 95 | Very high | 140 Ų | 140 | 32.5 Ų | 32.5 | 61% | 0.614 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -18.6 | 177 | -54.7 | -71.4 | 0 | 0 | 0 | 113 | L14 I202 V203 L204 | L14-F206 HydrophobicContact CD2-CB 4.42Å; I202-F206 HydrophobicContact CG2-CE2 4.48Å; I202-F206 WeakPolarHBondContact O-CD2 3.43Å; I202-F206 WeakPolarHBondContact O-CE2 3.45Å; V203-F206 PolarHBondContact O-N 3.36Å; L204-F206 PolarHBondContact O-N 3.21Å |
| 207 | C | 96.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -71 | 143.5 | 174.2 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | R93 V203 L204 | R93-C207 WeakPolarHBondContact CD-O 3.46Å; R93-C207 PolarHBondContact NH1-O 3.4Å; V203-C207 PolarHBondContact O-N 3.23Å; V203-C207 PolarHBondContact O-SG 3.48Å; L204-C207 HydrophobicContact CD2-CB 4.46Å; L204-C207 WeakPolarHBondContact O-CB 3.4Å; L204-C207 PolarHBondContact O-N 3.22Å |
| 208 | P | 95.8 | Very high | 94 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -70 | 150.2 | 175 | 27.1 | -28.7 | 0 | 0 | 0 | 111.6 | A15 Y143 V227 L231 | A15-P208 HydrophobicContact CB-CG 4.32Å; Y143-P208 WeakPolarHBondContact CE2-O 3.37Å; Y143-P208 PolarHBondContact OH-O 3.03Å; P208-V227 HydrophobicContact CB-CG1 3.49Å; P208-V227 VanDerWaalsContact CB-CG1 3.49Å; P208-V227 HydrophobicContact CG-CG1 4.33Å; P208-L231 HydrophobicContact CG-CD1 4.1Å; P208-L231 HydrophobicContact CG-CD2 3.63Å; P208-L231 HydrophobicContact CG-CG 3.98Å |
| 209 | E | 96.2 | Very high | 93.7 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 156.3 | 164.4 | -168.6 | 60 | -103.3 | 0 | 0 | 110 | R92 R93 N94 P211 F213 L214 | R92-E209 PolarHBondContact N-OE1 3.06Å; R93-E209 WeakPolarHBondContact CB-OE1 3.32Å; R93-E209 WeakPolarHBondContact CB-OE2 3.35Å; R93-E209 PolarHBondContact N-OE1 3.37Å; N94-E209 PolarHBondContact ND2-OE2 3.37Å; E209-P211 WeakPolarHBondContact O-CD 3.2Å; E209-F213 HydrophobicContact CG-CD1 3.71Å; E209-F213 HydrophobicContact CG-CE1 4.3Å; E209-L214 HydrophobicContact CB-CD1 4.37Å; E209-L214 HydrophobicContact CB-CD2 4.42Å; E209-L214 HydrophobicContact CB-CG 4.39Å; E209-L214 HydrophobicContact CG-CD2 4.21Å; E209-L214 HydrophobicContact CG-CG 4.34Å |
| 210 | S | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 124.6 | 178.5 | 161.9 | 0 | 0 | 0 | 0 | 111.7 | E146 R212 F213 L214 | E146-S210 VanDerWaalsContact CB-OG 3.31Å; E146-S210 WeakPolarHBondContact CB-OG 3.4Å; E146-S210 WeakPolarHBondContact OE2-CB 3.36Å; E146-S210 PolarHBondContact OE2-OG 3.23Å; S210-R212 PolarHBondContact O-N 3.25Å; S210-R212 PolarHBondContact OG-N 3.22Å; S210-F213 WeakPolarHBondContact O-CB 3.28Å; S210-F213 PolarHBondContact O-N 3.49Å; S210-F213 PolarHBondContact OG-N 2.61Å; S210-F213 VanDerWaalsContact OG-N 3.11Å; S210-L214 WeakPolarHBondContact O-CG 3.37Å; S210-L214 PolarHBondContact O-N 3.01Å |
| 211 | P | 92.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.2 | -36.9 | 174.3 | -23.4 | 32.5 | 0 | 0 | 0 | 112.6 | E209 L214 L215 V227 L228 L231 M244 | E209-P211 WeakPolarHBondContact O-CD 3.2Å; P211-L214 PolarHBondContact O-N 3.5Å; P211-L215 WeakPolarHBondContact O-CB 3.36Å; P211-L215 PolarHBondContact O-N 3.16Å; P211-V227 HydrophobicContact CG-CG1 3.86Å; P211-L228 HydrophobicContact CB-CD1 4.46Å; P211-L228 HydrophobicContact CB-CD2 3.9Å; P211-L228 HydrophobicContact CB-CG 3.88Å; P211-L228 HydrophobicContact CG-CD2 3.85Å; P211-L228 HydrophobicContact CG-CG 4.14Å; P211-L231 HydrophobicContact CG-CD1 3.86Å; P211-M244 HydrophobicContact CB-CE 3.71Å; P211-M244 HydrophobicContact CB-SD 4.44Å; P211-M244 VanDerWaalsContact O-CE 3.31Å; P211-M244 WeakPolarHBondContact O-CE 3.34Å |
| 212 | R | 89.4 | Confident | 93.1 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 15% | 0.147 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 178.4 | -81.8 | -178.4 | 171.2 | 160.2 | 2.6 | 110.9 | E146 R153 S210 L215 I216 M244 E247 | E146-R212 HydrophobicContact CB-CB 4.22Å; E146-R212 HydrophobicContact CG-CB 4.15Å; R153-R212 VanDerWaalsContact CZ-NH2 3.33Å; R153-R212 VanDerWaalsContact NH2-NH2 3.12Å; S210-R212 PolarHBondContact O-N 3.25Å; S210-R212 PolarHBondContact OG-N 3.22Å; R212-L215 PolarHBondContact O-N 3.43Å; R212-I216 HydrophobicContact CB-CD1 4.47Å; R212-I216 VanDerWaalsContact O-CB 3.27Å; R212-I216 WeakPolarHBondContact O-CB 3.25Å; R212-I216 WeakPolarHBondContact O-CG1 3.09Å; R212-I216 PolarHBondContact O-N 2.84Å; R212-M244 VanDerWaalsContact CA-CE 3.4Å; R212-M244 HydrophobicContact CB-CE 4.08Å; R212-M244 HydrophobicContact CG-CE 3.58Å; R212-M244 HydrophobicContact CG-CG 4.01Å; R212-M244 HydrophobicContact CG-SD 4.35Å; R212-M244 VanDerWaalsContact N-CE 3.29Å; R212-E247 IonicContact CZ-OE1 3.83Å; R212-E247 IonicContact CZ-OE2 3.78Å; R212-E247 IonicContact NE-OE2 3.7Å; R212-E247 PolarHBondContact NE-OE2 3.44Å; R212-E247 IonicContact NH2-OE1 2.73Å; R212-E247 PolarHBondContact NH2-OE1 3.28Å; R212-E247 IonicContact NH2-OE2 2.7Å; R212-E247 PolarHBondContact NH2-OE2 3Å |
| 213 | F | 89.4 | Confident | 93 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 4% | 0.039 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -61 | -46.5 | 173.7 | 175.7 | -110.6 | 0 | 0 | 0 | 112.1 | E209 S210 L215 N217 R218 | E209-F213 HydrophobicContact CG-CD1 3.71Å; E209-F213 HydrophobicContact CG-CE1 4.3Å; S210-F213 WeakPolarHBondContact O-CB 3.28Å; S210-F213 PolarHBondContact O-N 3.49Å; S210-F213 PolarHBondContact OG-N 2.61Å; S210-F213 VanDerWaalsContact OG-N 3.11Å; F213-L215 PolarHBondContact O-N 2.87Å; F213-N217 HydrophobicContact CD2-CB 3.41Å; F213-N217 VanDerWaalsContact CD2-CB 3.41Å; F213-N217 HydrophobicContact CE2-CB 3.57Å; F213-N217 HydrophobicContact CG-CB 4.35Å; F213-N217 WeakPolarHBondContact O-CA 3.42Å; F213-N217 WeakPolarHBondContact O-CB 3.29Å; F213-N217 PolarHBondContact O-N 3.41Å; F213-R218 HydrophobicContact CE1-CG 3.96Å; F213-R218 HydrophobicContact CZ-CG 4Å; F213-R218 PolarHBondContact O-N 3.47Å; F213-R218 VanDerWaalsContact O-N 3.11Å |
| 214 | L | 92 | Very high | 92.8 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -61.7 | -43.7 | 179.5 | -67.4 | 177.3 | 0 | 0 | 0 | 111.9 | E209 S210 P211 R218 N219 E220 R223 A224 V227 | E209-L214 HydrophobicContact CB-CD1 4.37Å; E209-L214 HydrophobicContact CB-CD2 4.42Å; E209-L214 HydrophobicContact CB-CG 4.39Å; E209-L214 HydrophobicContact CG-CD2 4.21Å; E209-L214 HydrophobicContact CG-CG 4.34Å; S210-L214 WeakPolarHBondContact O-CG 3.37Å; S210-L214 PolarHBondContact O-N 3.01Å; P211-L214 PolarHBondContact O-N 3.5Å; L214-R218 CarbonylContact O-C 3.52Å; L214-R218 WeakPolarHBondContact O-CB 3.47Å; L214-N219 PolarHBondContact O-N 2.82Å; L214-E220 PolarHBondContact O-N 3.12Å; L214-R223 HydrophobicContact CD1-CG 4.08Å; L214-A224 HydrophobicContact CB-CB 4.07Å; L214-V227 HydrophobicContact CD1-CG2 3.88Å |
| 215 | L | 91 | Very high | 92.6 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -73.7 | -50.5 | -178.7 | -173 | 146.6 | 0 | 0 | 0 | 112.6 | P211 R212 F213 N219 A224 L241 M244 K245 | P211-L215 WeakPolarHBondContact O-CB 3.36Å; P211-L215 PolarHBondContact O-N 3.16Å; R212-L215 PolarHBondContact O-N 3.43Å; F213-L215 PolarHBondContact O-N 2.87Å; L215-N219 VanDerWaalsContact O-CA 3.3Å; L215-N219 WeakPolarHBondContact O-CA 2.95Å; L215-N219 PolarHBondContact O-N 3.23Å; L215-A224 HydrophobicContact CB-CB 3.91Å; L215-A224 HydrophobicContact CD1-CB 4.47Å; L215-L241 HydrophobicContact CD1-CD1 3.37Å; L215-L241 HydrophobicContact CD1-CG 4.06Å; L215-M244 HydrophobicContact CB-CE 4.14Å; L215-M244 HydrophobicContact CD1-CB 4.48Å; L215-M244 HydrophobicContact CD1-CE 4.32Å; L215-K245 HydrophobicContact CD1-CG 4.29Å; L215-K245 HydrophobicContact CD2-CG 4.17Å |
| 216 | I | 86.1 | Confident | 92.5 | Very high | 44 Ų | 44 | 54.4 Ų | 54.4 | 23% | 0.226 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -86.7 | -49.4 | -168.7 | -58.2 | 177.5 | 0 | 0 | 0 | 111.1 | R212 | R212-I216 HydrophobicContact CB-CD1 4.47Å; R212-I216 VanDerWaalsContact O-CB 3.27Å; R212-I216 WeakPolarHBondContact O-CB 3.25Å; R212-I216 WeakPolarHBondContact O-CG1 3.09Å; R212-I216 PolarHBondContact O-N 2.84Å |
| 217 | N | 85.1 | Confident | 92.4 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -84.9 | -33.1 | -174.1 | -65.5 | 87.3 | 0 | 0 | 0 | 112.9 | N88 F213 | N88-N217 PolarHBondContact OD1-ND2 3.25Å; F213-N217 HydrophobicContact CD2-CB 3.41Å; F213-N217 VanDerWaalsContact CD2-CB 3.41Å; F213-N217 HydrophobicContact CE2-CB 3.57Å; F213-N217 HydrophobicContact CG-CB 4.35Å; F213-N217 WeakPolarHBondContact O-CA 3.42Å; F213-N217 WeakPolarHBondContact O-CB 3.29Å; F213-N217 PolarHBondContact O-N 3.41Å |
| 218 | R | 88.9 | Confident | 92.3 | Very high | 128 Ų | 128 | 48.5 Ų | 48.5 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -104.2 | -8 | -178.8 | -70.7 | -168.3 | 61.1 | 150.4 | 4.6 | 114.7 | F213 L214 E220 | F213-R218 HydrophobicContact CE1-CG 3.96Å; F213-R218 HydrophobicContact CZ-CG 4Å; F213-R218 PolarHBondContact O-N 3.47Å; F213-R218 VanDerWaalsContact O-N 3.11Å; L214-R218 CarbonylContact O-C 3.52Å; L214-R218 WeakPolarHBondContact O-CB 3.47Å; R218-E220 HydrophobicContact CB-CG 4.1Å; R218-E220 IonicContact CZ-OE1 3.66Å; R218-E220 IonicContact NE-OE1 2.71Å; R218-E220 PolarHBondContact NE-OE1 3.34Å; R218-E220 IonicContact NE-OE2 2.9Å; R218-E220 IonicContact NH2-OE1 2.93Å; R218-E220 PolarHBondContact NH2-OE1 3.28Å; R218-E220 PolarHBondContact O-N 3.04Å |
| 219 | N | 90.9 | Very high | 92.2 | Very high | 146 Ų | 146 | 52.3 Ų | 52.3 | 78% | 0.781 | 25% | 0.249 | S | C | * | . | trans | 56.7 | 31.8 | -177.1 | -155.2 | 31.6 | 0 | 0 | 0 | 113.8 | L214 L215 | L214-N219 PolarHBondContact O-N 2.82Å; L215-N219 VanDerWaalsContact O-CA 3.3Å; L215-N219 WeakPolarHBondContact O-CA 2.95Å; L215-N219 PolarHBondContact O-N 3.23Å | ||
| 220 | E | 93.8 | Very high | 92 | Very high | 49 Ų | 49 | 56.6 Ų | 56.6 | 23% | 0.229 | 27% | 0.267 | C | S | . | . | trans | -101.9 | 69.3 | -177.8 | -70.5 | -179.8 | -161.3 | 0 | 0 | 111.9 | L214 R218 N222 R223 A224 | L214-E220 PolarHBondContact O-N 3.12Å; R218-E220 HydrophobicContact CB-CG 4.1Å; R218-E220 IonicContact CZ-OE1 3.66Å; R218-E220 IonicContact NE-OE1 2.71Å; R218-E220 PolarHBondContact NE-OE1 3.34Å; R218-E220 IonicContact NE-OE2 2.9Å; R218-E220 IonicContact NH2-OE1 2.93Å; R218-E220 PolarHBondContact NH2-OE1 3.28Å; R218-E220 PolarHBondContact O-N 3.04Å; E220-N222 PolarHBondContact O-N 3.45Å; E220-R223 HydrophobicContact CB-CB 4.07Å; E220-R223 PolarHBondContact O-N 3.34Å; E220-R223 WeakPolarHBondContact OE2-CD 3.26Å; E220-R223 IonicContact OE2-CZ 2.68Å; E220-R223 IonicContact OE2-NE 2.77Å; E220-R223 IonicContact OE2-NH1 3.61Å; E220-R223 PolarHBondContact OE2-NH1 2.9Å; E220-A224 PolarHBondContact O-N 3.3Å | ||
| 221 | E | 93.8 | Very high | 91.9 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.7 | -48.2 | -175.4 | -179 | 172.2 | 172.9 | 0 | 0 | 113.5 | R223 A224 K225 L241 K245 | E221-R223 VanDerWaalsContact C-N 3.25Å; E221-R223 PolarHBondContact O-N 3.07Å; E221-A224 PolarHBondContact O-N 3.23Å; E221-K225 WeakPolarHBondContact O-CB 3.49Å; E221-K225 PolarHBondContact O-N 3.45Å; E221-L241 HydrophobicContact CG-CD2 4.08Å; E221-L241 WeakPolarHBondContact OE1-CD2 3.3Å; E221-K245 VanDerWaalsContact CD-CE 3.48Å; E221-K245 WeakPolarHBondContact OE1-CE 3.19Å; E221-K245 IonicContact OE1-NZ 2.84Å; E221-K245 PolarHBondContact OE1-NZ 3.35Å; E221-K245 VanDerWaalsContact OE2-CE 3.27Å; E221-K245 WeakPolarHBondContact OE2-CE 3.35Å; E221-K245 IonicContact OE2-NZ 2.66Å; E221-K245 PolarHBondContact OE2-NZ 3.17Å |
| 222 | N | 94.5 | Very high | 91.8 | Very high | 138 Ų | 138 | 57.6 Ų | 57.6 | 74% | 0.738 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61 | -37.1 | -178.1 | -72.7 | -31.6 | 0 | 0 | 0 | 112.1 | E220 S226 | E220-N222 PolarHBondContact O-N 3.45Å; N222-S226 PolarHBondContact O-N 3.07Å |
| 223 | R | 94.8 | Very high | 91.8 | Very high | 128 Ų | 128 | 58.6 Ų | 58.6 | 48% | 0.483 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.3 | -42.7 | 178.4 | -162.5 | -176.6 | -178.7 | 173.7 | 1.7 | 111.1 | L214 E220 E221 K225 S226 V227 | L214-R223 HydrophobicContact CD1-CG 4.08Å; E220-R223 HydrophobicContact CB-CB 4.07Å; E220-R223 PolarHBondContact O-N 3.34Å; E220-R223 WeakPolarHBondContact OE2-CD 3.26Å; E220-R223 IonicContact OE2-CZ 2.68Å; E220-R223 IonicContact OE2-NE 2.77Å; E220-R223 IonicContact OE2-NH1 3.61Å; E220-R223 PolarHBondContact OE2-NH1 2.9Å; E221-R223 VanDerWaalsContact C-N 3.25Å; E221-R223 PolarHBondContact O-N 3.07Å; R223-K225 VanDerWaalsContact C-N 3.3Å; R223-K225 PolarHBondContact O-N 3.18Å; R223-S226 WeakPolarHBondContact O-CB 3.44Å; R223-S226 PolarHBondContact O-N 3.33Å; R223-V227 WeakPolarHBondContact O-CG2 3.39Å; R223-V227 PolarHBondContact O-N 2.95Å |
| 224 | A | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.1 | -44.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L214 L215 E220 E221 S226 V227 L228 | L214-A224 HydrophobicContact CB-CB 4.07Å; L215-A224 HydrophobicContact CB-CB 3.91Å; L215-A224 HydrophobicContact CD1-CB 4.47Å; E220-A224 PolarHBondContact O-N 3.3Å; E221-A224 PolarHBondContact O-N 3.23Å; A224-S226 PolarHBondContact O-N 3.29Å; A224-V227 PolarHBondContact O-N 2.85Å; A224-L228 WeakPolarHBondContact O-CG 3.4Å; A224-L228 PolarHBondContact O-N 3.43Å |
| 225 | K | 94.3 | Very high | 91.6 | Very high | 78 Ų | 78 | 64.6 Ų | 64.6 | 34% | 0.339 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 174.7 | -172.2 | 176.9 | -174.9 | 173.2 | 0 | 112.2 | E221 R223 V227 L228 K229 V237 | E221-K225 WeakPolarHBondContact O-CB 3.49Å; E221-K225 PolarHBondContact O-N 3.45Å; R223-K225 VanDerWaalsContact C-N 3.3Å; R223-K225 PolarHBondContact O-N 3.18Å; K225-V227 VanDerWaalsContact C-N 3.33Å; K225-V227 PolarHBondContact O-N 3.31Å; K225-L228 PolarHBondContact O-N 3.46Å; K225-K229 WeakPolarHBondContact O-CG 3.41Å; K225-K229 PolarHBondContact O-N 2.98Å; K225-V237 HydrophobicContact CG-CG2 3.85Å |
| 226 | S | 94.8 | Very high | 91.5 | Very high | 54 Ų | 54 | 69.4 Ų | 69.4 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.8 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | N222 R223 A224 K230 | N222-S226 PolarHBondContact O-N 3.07Å; R223-S226 WeakPolarHBondContact O-CB 3.44Å; R223-S226 PolarHBondContact O-N 3.33Å; A224-S226 PolarHBondContact O-N 3.29Å; S226-K230 WeakPolarHBondContact O-CG 3.45Å; S226-K230 PolarHBondContact O-N 3.43Å |
| 227 | V | 94.9 | Very high | 91.7 | Very high | 18 Ų | 18 | 67.5 Ų | 67.5 | 11% | 0.109 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67 | -45.2 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | P208 P211 L214 R223 A224 K225 K229 K230 L231 | P208-V227 HydrophobicContact CB-CG1 3.49Å; P208-V227 VanDerWaalsContact CB-CG1 3.49Å; P208-V227 HydrophobicContact CG-CG1 4.33Å; P211-V227 HydrophobicContact CG-CG1 3.86Å; L214-V227 HydrophobicContact CD1-CG2 3.88Å; R223-V227 WeakPolarHBondContact O-CG2 3.39Å; R223-V227 PolarHBondContact O-N 2.95Å; A224-V227 PolarHBondContact O-N 2.85Å; K225-V227 VanDerWaalsContact C-N 3.33Å; K225-V227 PolarHBondContact O-N 3.31Å; V227-K229 PolarHBondContact O-N 3.3Å; V227-K230 PolarHBondContact O-N 3.5Å; V227-K230 VanDerWaalsContact O-N 3.16Å; V227-L231 HydrophobicContact CG1-CD1 3.77Å; V227-L231 HydrophobicContact CG1-CG 4.24Å; V227-L231 PolarHBondContact O-N 3.39Å |
| 228 | L | 92.8 | Very high | 92 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 178 | -76.9 | 170.1 | 0 | 0 | 0 | 111.8 | P211 A224 K225 K230 L231 R232 V237 D240 L241 M244 | P211-L228 HydrophobicContact CB-CD1 4.46Å; P211-L228 HydrophobicContact CB-CD2 3.9Å; P211-L228 HydrophobicContact CB-CG 3.88Å; P211-L228 HydrophobicContact CG-CD2 3.85Å; P211-L228 HydrophobicContact CG-CG 4.14Å; A224-L228 WeakPolarHBondContact O-CG 3.4Å; A224-L228 PolarHBondContact O-N 3.43Å; K225-L228 PolarHBondContact O-N 3.46Å; L228-K230 PolarHBondContact O-N 2.93Å; L228-L231 PolarHBondContact O-N 2.92Å; L228-L231 VanDerWaalsContact O-N 3.1Å; L228-R232 WeakPolarHBondContact O-CB 3.37Å; L228-R232 VanDerWaalsContact O-CG 3.32Å; L228-R232 WeakPolarHBondContact O-CG 3.32Å; L228-R232 PolarHBondContact O-N 3.18Å; L228-V237 HydrophobicContact CB-CB 4Å; L228-V237 HydrophobicContact CB-CG1 4.01Å; L228-V237 HydrophobicContact CB-CG2 4.06Å; L228-D240 HydrophobicContact CD1-CB 4.45Å; L228-L241 HydrophobicContact CD1-CD1 4.1Å; L228-M244 HydrophobicContact CD1-SD 3.89Å; L228-M244 HydrophobicContact CD2-SD 4.46Å |
| 229 | K | 93.4 | Very high | 92 | Very high | 88 Ų | 88 | 67 Ų | 67 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.8 | -43 | 176.2 | -72.9 | -178.7 | 179 | -165.4 | 0 | 111.9 | K225 V227 G233 A235 V237 | K225-K229 WeakPolarHBondContact O-CG 3.41Å; K225-K229 PolarHBondContact O-N 2.98Å; V227-K229 PolarHBondContact O-N 3.3Å; K229-G233 WeakPolarHBondContact O-CA 3.48Å; K229-G233 PolarHBondContact O-N 3.32Å; K229-A235 VanDerWaalsContact CE-O 3.25Å; K229-A235 WeakPolarHBondContact CE-O 3.49Å; K229-V237 HydrophobicContact CG-CG1 4.2Å; K229-V237 HydrophobicContact CG-CG2 3.94Å |
| 230 | K | 92.3 | Very high | 91.7 | Very high | 109 Ų | 109 | 60.7 Ų | 60.7 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.7 | -34.1 | 178.7 | -71.6 | 164.7 | 166.6 | 179.4 | 0 | 113.1 | S226 V227 L228 | S226-K230 WeakPolarHBondContact O-CG 3.45Å; S226-K230 PolarHBondContact O-N 3.43Å; V227-K230 PolarHBondContact O-N 3.5Å; V227-K230 VanDerWaalsContact O-N 3.16Å; L228-K230 PolarHBondContact O-N 2.93Å |
| 231 | L | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -79.1 | -37.3 | 179 | -78.9 | 175 | 0 | 0 | 0 | 113 | T9 R11 L12 A15 V147 P208 P211 V227 L228 | T9-L231 VanDerWaalsContact CG2-O 3.29Å; T9-L231 WeakPolarHBondContact CG2-O 3.3Å; T9-L231 PolarHBondContact OG1-O 3.01Å; R11-L231 HydrophobicContact CG-CD2 4.49Å; L12-L231 HydrophobicContact CB-CD2 4.36Å; L12-L231 HydrophobicContact CD1-CD2 4.28Å; A15-L231 HydrophobicContact CB-CD2 4.45Å; V147-L231 HydrophobicContact CB-CD1 4.15Å; P208-L231 HydrophobicContact CG-CD1 4.1Å; P208-L231 HydrophobicContact CG-CD2 3.63Å; P208-L231 HydrophobicContact CG-CG 3.98Å; P211-L231 HydrophobicContact CG-CD1 3.86Å; V227-L231 HydrophobicContact CG1-CD1 3.77Å; V227-L231 HydrophobicContact CG1-CG 4.24Å; V227-L231 PolarHBondContact O-N 3.39Å; L228-L231 PolarHBondContact O-N 2.92Å; L228-L231 VanDerWaalsContact O-N 3.1Å |
| 232 | R | 90.1 | Very high | 91.3 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -87 | -24.1 | -178.5 | -59.6 | -61 | 177.6 | -104.6 | -1.5 | 113 | V147 S148 L228 T234 V237 D240 | V147-R232 PolarHBondContact O-NH1 3.02Å; V147-R232 PolarHBondContact O-NH2 3.28Å; S148-R232 PolarHBondContact O-NH2 3.49Å; L228-R232 WeakPolarHBondContact O-CB 3.37Å; L228-R232 VanDerWaalsContact O-CG 3.32Å; L228-R232 WeakPolarHBondContact O-CG 3.32Å; L228-R232 PolarHBondContact O-N 3.18Å; R232-T234 PolarHBondContact O-N 3.29Å; R232-V237 HydrophobicContact CB-CG1 4.23Å; R232-V237 HydrophobicContact CG-CG1 4.2Å; R232-D240 IonicContact CZ-OD2 3.59Å; R232-D240 IonicContact NE-OD2 3.41Å; R232-D240 PolarHBondContact NE-OD2 3.18Å; R232-D240 IonicContact NH2-OD2 2.88Å |
| 233 | G | 89.6 | Confident | 90.8 | Very high | 60 Ų | 60 | 56.2 Ų | 56.2 | 62% | 0.619 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 71.8 | 13.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K229 | K229-G233 WeakPolarHBondContact O-CA 3.48Å; K229-G233 PolarHBondContact O-N 3.32Å |
| 234 | T | 89.1 | Confident | 90.3 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | trans | -119.1 | 145.7 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | R232 D236 | R232-T234 PolarHBondContact O-N 3.29Å; T234-D236 PolarHBondContact OG1-O 3.38Å | ||
| 235 | A | 87.3 | Confident | 90.1 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -73.6 | -35.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K229 | K229-A235 VanDerWaalsContact CE-O 3.25Å; K229-A235 WeakPolarHBondContact CE-O 3.49Å |
| 236 | D | 89.9 | Confident | 89.7 | Confident | 113 Ų | 113 | 55.5 Ų | 55.5 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | trans | -86.5 | 115.5 | 173.3 | -168 | 6.4 | 0 | 0 | 0 | 110.4 | T234 T238 | T234-D236 PolarHBondContact OG1-O 3.38Å; D236-T238 VanDerWaalsContact OD1-CB 3.23Å; D236-T238 WeakPolarHBondContact OD1-CB 3.46Å; D236-T238 PolarHBondContact OD1-N 2.92Å; D236-T238 PolarHBondContact OD1-OG1 3.39Å | ||
| 237 | V | 91.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | trans | -131.4 | 18.2 | 175.4 | -64.6 | 0 | 0 | 0 | 0 | 110 | K225 L228 K229 R232 H239 D240 L241 | K225-V237 HydrophobicContact CG-CG2 3.85Å; L228-V237 HydrophobicContact CB-CB 4Å; L228-V237 HydrophobicContact CB-CG1 4.01Å; L228-V237 HydrophobicContact CB-CG2 4.06Å; K229-V237 HydrophobicContact CG-CG1 4.2Å; K229-V237 HydrophobicContact CG-CG2 3.94Å; R232-V237 HydrophobicContact CB-CG1 4.23Å; R232-V237 HydrophobicContact CG-CG1 4.2Å; V237-H239 VanDerWaalsContact C-N 3.34Å; V237-H239 PolarHBondContact O-N 3.46Å; V237-D240 PolarHBondContact O-N 3.37Å; V237-L241 WeakPolarHBondContact O-CB 3.37Å; V237-L241 PolarHBondContact O-N 3.46Å | ||
| 238 | T | 91.1 | Very high | 88.2 | Confident | 61 Ų | 61 | 55 Ų | 55 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | -172.7 | -47.3 | 0 | 0 | 0 | 0 | 110.7 | D236 L241 Q242 | D236-T238 VanDerWaalsContact OD1-CB 3.23Å; D236-T238 WeakPolarHBondContact OD1-CB 3.46Å; D236-T238 PolarHBondContact OD1-N 2.92Å; D236-T238 PolarHBondContact OD1-OG1 3.39Å; T238-L241 PolarHBondContact O-N 3.4Å; T238-Q242 WeakPolarHBondContact O-CB 3.18Å; T238-Q242 WeakPolarHBondContact O-CG 3.33Å; T238-Q242 PolarHBondContact O-N 3.03Å |
| 239 | H | 87.8 | Confident | 87.9 | Confident | 124 Ų | 124 | 62.6 Ų | 62.6 | 57% | 0.574 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.5 | -54.9 | 173.4 | 178.2 | -74.5 | 0 | 0 | 0 | 111.9 | V237 L241 Q242 E243 | V237-H239 VanDerWaalsContact C-N 3.34Å; V237-H239 PolarHBondContact O-N 3.46Å; H239-L241 PolarHBondContact O-N 2.9Å; H239-Q242 PolarHBondContact O-N 2.58Å; H239-E243 IonicContact CE1-OE2 2.92Å; H239-E243 IonicContact ND1-OE2 3.02Å; H239-E243 WeakPolarHBondContact O-CB 3.39Å; H239-E243 PolarHBondContact O-N 3.46Å |
| 240 | D | 86.1 | Confident | 87.1 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.7 | -36.9 | 179.9 | -75.5 | 5.5 | 0 | 0 | 0 | 111.1 | K6 L228 R232 V237 M244 | K6-D240 IonicContact NZ-OD1 3.22Å; K6-D240 PolarHBondContact NZ-OD1 3.03Å; L228-D240 HydrophobicContact CD1-CB 4.45Å; R232-D240 IonicContact CZ-OD2 3.59Å; R232-D240 IonicContact NE-OD2 3.41Å; R232-D240 PolarHBondContact NE-OD2 3.18Å; R232-D240 IonicContact NH2-OD2 2.88Å; V237-D240 PolarHBondContact O-N 3.37Å; D240-M244 WeakPolarHBondContact O-CG 3.16Å; D240-M244 PolarHBondContact O-N 2.92Å |
| 241 | L | 88.6 | Confident | 86.2 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 177.7 | -163.6 | 75.4 | 0 | 0 | 0 | 112.5 | L215 E221 L228 V237 T238 H239 K245 | L215-L241 HydrophobicContact CD1-CD1 3.37Å; L215-L241 HydrophobicContact CD1-CG 4.06Å; E221-L241 HydrophobicContact CG-CD2 4.08Å; E221-L241 WeakPolarHBondContact OE1-CD2 3.3Å; L228-L241 HydrophobicContact CD1-CD1 4.1Å; V237-L241 WeakPolarHBondContact O-CB 3.37Å; V237-L241 PolarHBondContact O-N 3.46Å; T238-L241 PolarHBondContact O-N 3.4Å; H239-L241 PolarHBondContact O-N 2.9Å; L241-K245 WeakPolarHBondContact O-CG 3.31Å; L241-K245 PolarHBondContact O-N 3.08Å |
| 242 | Q | 89.3 | Confident | 85.6 | Confident | 121 Ų | 121 | 67.4 Ų | 67.4 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.9 | -44.1 | 175.3 | -77.3 | 176.1 | -18 | 0 | 0 | 111.1 | T238 H239 M244 K245 E246 | T238-Q242 WeakPolarHBondContact O-CB 3.18Å; T238-Q242 WeakPolarHBondContact O-CG 3.33Å; T238-Q242 PolarHBondContact O-N 3.03Å; H239-Q242 PolarHBondContact O-N 2.58Å; Q242-M244 VanDerWaalsContact C-N 3.32Å; Q242-M244 PolarHBondContact O-N 3.33Å; Q242-K245 WeakPolarHBondContact O-CB 3.23Å; Q242-K245 PolarHBondContact O-N 2.85Å; Q242-K245 VanDerWaalsContact O-N 3.12Å; Q242-E246 WeakPolarHBondContact O-CB 3.32Å; Q242-E246 PolarHBondContact O-N 3.07Å |
| 243 | E | 85.6 | Confident | 85.3 | Confident | 42 Ų | 42 | 76.1 Ų | 76.1 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -53.8 | -49.2 | 173.5 | -177 | -175.3 | 166.2 | 0 | 0 | 110.4 | T150 H239 K245 E246 E247 | T150-E243 PolarHBondContact OG1-OE1 3.48Å; T150-E243 PolarHBondContact OG1-OE2 3.47Å; H239-E243 IonicContact CE1-OE2 2.92Å; H239-E243 IonicContact ND1-OE2 3.02Å; H239-E243 WeakPolarHBondContact O-CB 3.39Å; H239-E243 PolarHBondContact O-N 3.46Å; E243-K245 PolarHBondContact O-N 3.47Å; E243-E246 PolarHBondContact O-N 2.87Å; E243-E247 WeakPolarHBondContact O-CB 3.29Å; E243-E247 WeakPolarHBondContact O-CG 3.36Å; E243-E247 PolarHBondContact O-N 2.76Å |
| 244 | M | 84.3 | Confident | 84.7 | Confident | 12 Ų | 12 | 76.5 Ų | 76.5 | 6% | 0.059 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 177.9 | -68.8 | 162.9 | 65.1 | 0 | 0 | 113.4 | P211 R212 L215 L228 D240 Q242 S248 | P211-M244 HydrophobicContact CB-CE 3.71Å; P211-M244 HydrophobicContact CB-SD 4.44Å; P211-M244 VanDerWaalsContact O-CE 3.31Å; P211-M244 WeakPolarHBondContact O-CE 3.34Å; R212-M244 VanDerWaalsContact CA-CE 3.4Å; R212-M244 HydrophobicContact CB-CE 4.08Å; R212-M244 HydrophobicContact CG-CE 3.58Å; R212-M244 HydrophobicContact CG-CG 4.01Å; R212-M244 HydrophobicContact CG-SD 4.35Å; R212-M244 VanDerWaalsContact N-CE 3.29Å; L215-M244 HydrophobicContact CB-CE 4.14Å; L215-M244 HydrophobicContact CD1-CB 4.48Å; L215-M244 HydrophobicContact CD1-CE 4.32Å; L228-M244 HydrophobicContact CD1-SD 3.89Å; L228-M244 HydrophobicContact CD2-SD 4.46Å; D240-M244 WeakPolarHBondContact O-CG 3.16Å; D240-M244 PolarHBondContact O-N 2.92Å; Q242-M244 VanDerWaalsContact C-N 3.32Å; Q242-M244 PolarHBondContact O-N 3.33Å; M244-S248 WeakPolarHBondContact O-CB 3.19Å; M244-S248 PolarHBondContact O-N 3.12Å |
| 245 | K | 88.2 | Confident | 84.4 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 27% | 0.274 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 174.5 | -78.3 | 176.7 | 170.7 | -175.3 | 0 | 111.3 | L215 E221 L241 Q242 E243 S248 R249 | L215-K245 HydrophobicContact CD1-CG 4.29Å; L215-K245 HydrophobicContact CD2-CG 4.17Å; E221-K245 VanDerWaalsContact CD-CE 3.48Å; E221-K245 WeakPolarHBondContact OE1-CE 3.19Å; E221-K245 IonicContact OE1-NZ 2.84Å; E221-K245 PolarHBondContact OE1-NZ 3.35Å; E221-K245 VanDerWaalsContact OE2-CE 3.27Å; E221-K245 WeakPolarHBondContact OE2-CE 3.35Å; E221-K245 IonicContact OE2-NZ 2.66Å; E221-K245 PolarHBondContact OE2-NZ 3.17Å; L241-K245 WeakPolarHBondContact O-CG 3.31Å; L241-K245 PolarHBondContact O-N 3.08Å; Q242-K245 WeakPolarHBondContact O-CB 3.23Å; Q242-K245 PolarHBondContact O-N 2.85Å; Q242-K245 VanDerWaalsContact O-N 3.12Å; E243-K245 PolarHBondContact O-N 3.47Å; K245-S248 WeakPolarHBondContact O-CB 3.35Å; K245-S248 PolarHBondContact O-N 3.39Å; K245-R249 WeakPolarHBondContact O-CG 3.48Å; K245-R249 PolarHBondContact O-N 3.39Å |
| 246 | E | 86.1 | Confident | 84 | Confident | 115 Ų | 115 | 84.4 Ų | 84.4 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.5 | -44.5 | 178.1 | -173.2 | 146.9 | -151.5 | 0 | 0 | 111.7 | Q242 E243 S248 R249 Q250 | Q242-E246 WeakPolarHBondContact O-CB 3.32Å; Q242-E246 PolarHBondContact O-N 3.07Å; E243-E246 PolarHBondContact O-N 2.87Å; E246-S248 VanDerWaalsContact C-N 3.28Å; E246-S248 PolarHBondContact O-N 3.07Å; E246-R249 PolarHBondContact O-N 3.18Å; E246-R249 VanDerWaalsContact O-N 3.11Å; E246-Q250 WeakPolarHBondContact O-CG 3.47Å; E246-Q250 PolarHBondContact O-N 3.14Å |
| 247 | E | 78 | Confident | 83.7 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.3 | -44.5 | 169.3 | -72.8 | 176.7 | 160 | 0 | 0 | 111.2 | R212 E243 R249 Q250 M251 Q397 | R212-E247 IonicContact CZ-OE1 3.83Å; R212-E247 IonicContact CZ-OE2 3.78Å; R212-E247 IonicContact NE-OE2 3.7Å; R212-E247 PolarHBondContact NE-OE2 3.44Å; R212-E247 IonicContact NH2-OE1 2.73Å; R212-E247 PolarHBondContact NH2-OE1 3.28Å; R212-E247 IonicContact NH2-OE2 2.7Å; R212-E247 PolarHBondContact NH2-OE2 3Å; E243-E247 WeakPolarHBondContact O-CB 3.29Å; E243-E247 WeakPolarHBondContact O-CG 3.36Å; E243-E247 PolarHBondContact O-N 2.76Å; E247-R249 PolarHBondContact O-N 3.17Å; E247-Q250 PolarHBondContact O-N 3.43Å; E247-M251 WeakPolarHBondContact O-CB 3.25Å; E247-M251 PolarHBondContact O-N 3Å; E247-Q397 PolarHBondContact O-OE1 3.08Å |
| 248 | S | 81 | Confident | 83.6 | Confident | 24 Ų | 24 | 83.3 Ų | 83.3 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.3 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | M244 K245 E246 M251 M252 | M244-S248 WeakPolarHBondContact O-CB 3.19Å; M244-S248 PolarHBondContact O-N 3.12Å; K245-S248 WeakPolarHBondContact O-CB 3.35Å; K245-S248 PolarHBondContact O-N 3.39Å; E246-S248 VanDerWaalsContact C-N 3.28Å; E246-S248 PolarHBondContact O-N 3.07Å; S248-M251 PolarHBondContact O-N 3.09Å; S248-M252 WeakPolarHBondContact O-CB 3.26Å; S248-M252 VanDerWaalsContact O-CG 3.22Å; S248-M252 WeakPolarHBondContact O-CG 3.48Å; S248-M252 PolarHBondContact O-N 2.96Å |
| 249 | R | 84.9 | Confident | 83.5 | Confident | 162 Ų | 162 | 83.4 Ų | 83.4 | 61% | 0.611 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.8 | -41.6 | 176 | -72.3 | 174.9 | -164.5 | 171.3 | 2.6 | 111 | K245 E246 E247 M252 R253 | K245-R249 WeakPolarHBondContact O-CG 3.48Å; K245-R249 PolarHBondContact O-N 3.39Å; E246-R249 PolarHBondContact O-N 3.18Å; E246-R249 VanDerWaalsContact O-N 3.11Å; E247-R249 PolarHBondContact O-N 3.17Å; R249-M252 PolarHBondContact O-N 2.95Å; R249-R253 VanDerWaalsContact O-CG 3.29Å; R249-R253 WeakPolarHBondContact O-CG 3.34Å; R249-R253 PolarHBondContact O-N 3.16Å |
| 250 | Q | 78 | Confident | 83.6 | Confident | 84 Ų | 84 | 82.3 Ų | 82.3 | 39% | 0.393 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 175.5 | -72 | 179 | -4.9 | 0 | 0 | 111.4 | E246 E247 M252 R253 E254 | E246-Q250 WeakPolarHBondContact O-CG 3.47Å; E246-Q250 PolarHBondContact O-N 3.14Å; E247-Q250 PolarHBondContact O-N 3.43Å; Q250-M252 VanDerWaalsContact C-N 3.27Å; Q250-M252 PolarHBondContact O-N 3.2Å; Q250-R253 WeakPolarHBondContact O-CB 3.21Å; Q250-R253 PolarHBondContact O-N 2.86Å; Q250-R253 VanDerWaalsContact O-N 3.11Å; Q250-E254 PolarHBondContact O-N 2.92Å |
| 251 | M | 73.5 | Confident | 83.8 | Confident | 60 Ų | 60 | 84.5 Ų | 84.5 | 30% | 0.296 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 175.8 | -167.4 | -161 | -59.7 | 0 | 0 | 112.1 | E247 S248 R253 | E247-M251 WeakPolarHBondContact O-CB 3.25Å; E247-M251 PolarHBondContact O-N 3Å; S248-M251 PolarHBondContact O-N 3.09Å; M251-R253 VanDerWaalsContact C-N 3.35Å |
| 252 | M | 78.8 | Confident | 83.8 | Confident | 154 Ų | 154 | 84 Ų | 84 | 76% | 0.759 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76 | -20.9 | 178.7 | -70.2 | -66.7 | -67.2 | 0 | 0 | 113.4 | S248 R249 Q250 | S248-M252 WeakPolarHBondContact O-CB 3.26Å; S248-M252 VanDerWaalsContact O-CG 3.22Å; S248-M252 WeakPolarHBondContact O-CG 3.48Å; S248-M252 PolarHBondContact O-N 2.96Å; R249-M252 PolarHBondContact O-N 2.95Å; Q250-M252 VanDerWaalsContact C-N 3.27Å; Q250-M252 PolarHBondContact O-N 3.2Å |
| 253 | R | 82.8 | Confident | 84 | Confident | 204 Ų | 204 | 83.1 Ų | 83.1 | 77% | 0.77 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -73.3 | -32.1 | 173.6 | -76.2 | 171 | 179.2 | -174.2 | -0 | 111.8 | R249 Q250 M251 | R249-R253 VanDerWaalsContact O-CG 3.29Å; R249-R253 WeakPolarHBondContact O-CG 3.34Å; R249-R253 PolarHBondContact O-N 3.16Å; Q250-R253 WeakPolarHBondContact O-CB 3.21Å; Q250-R253 PolarHBondContact O-N 2.86Å; Q250-R253 VanDerWaalsContact O-N 3.11Å; M251-R253 VanDerWaalsContact C-N 3.35Å |
| 254 | E | 78.3 | Confident | 84.3 | Confident | 68 Ų | 68 | 89.3 Ų | 89.3 | 32% | 0.318 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -89.7 | 127.5 | 176 | -68.6 | -177.5 | -147.4 | 0 | 0 | 110.8 | Q250 K256 S396 Q397 G398 | Q250-E254 PolarHBondContact O-N 2.92Å; E254-K256 PolarHBondContact O-N 3.38Å; E254-S396 VanDerWaalsContact OE2-CB 3.3Å; E254-S396 WeakPolarHBondContact OE2-CB 3.4Å; E254-S396 PolarHBondContact OE2-OG 2.88Å; E254-Q397 PolarHBondContact OE2-N 3.02Å; E254-G398 PolarHBondContact OE2-N 3.11Å |
| 255 | K | 81.6 | Confident | 84.6 | Confident | 153 Ų | 153 | 90.5 Ų | 90.5 | 67% | 0.665 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 130.3 | 171.6 | -173 | -168.9 | 176.1 | -161.1 | 0 | 108.9 | V257 E261 | K255-V257 WeakPolarHBondContact O-CG2 3.5Å; K255-V257 PolarHBondContact O-N 3.37Å; K255-V257 VanDerWaalsContact O-N 3.14Å; K255-E261 IonicContact NZ-OE1 3.78Å; K255-E261 PolarHBondContact NZ-OE1 3.15Å |
| 256 | K | 79.4 | Confident | 84.6 | Confident | 148 Ų | 148 | 92.5 Ų | 92.5 | 64% | 0.643 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -59 | 119.2 | 168.9 | -76 | -175.8 | 178.9 | 175.7 | 0 | 109.3 | E254 | E254-K256 PolarHBondContact O-N 3.38Š|
| 257 | V | 84.3 | Confident | 84.5 | Confident | 19 Ų | 19 | 89.8 Ų | 89.8 | 12% | 0.115 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 133.3 | -178.4 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | K255 E261 L262 Y268 G398 P399 A402 | K255-V257 WeakPolarHBondContact O-CG2 3.5Å; K255-V257 PolarHBondContact O-N 3.37Å; K255-V257 VanDerWaalsContact O-N 3.14Å; V257-E261 WeakPolarHBondContact CA-OE2 3.49Å; V257-E261 HydrophobicContact CG1-CB 3.54Å; V257-L262 HydrophobicContact CG1-CD1 3.95Å; V257-Y268 HydrophobicContact CG1-CD2 4.19Å; V257-Y268 HydrophobicContact CG1-CE2 3.9Å; V257-Y268 HydrophobicContact CG2-CE2 4Å; V257-G398 PolarHBondContact N-O 2.69Å; V257-P399 HydrophobicContact CB-CB 3.95Å; V257-P399 HydrophobicContact CG1-CB 4.47Å; V257-P399 HydrophobicContact CG2-CB 3.88Å; V257-P399 HydrophobicContact CG2-CG 4.48Å; V257-A402 WeakPolarHBondContact O-CB 3.19Å |
| 258 | T | 89 | Confident | 85.1 | Confident | 75 Ų | 75 | 91.2 Ų | 91.2 | 46% | 0.46 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -80 | 159.8 | 175.1 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | L260 E261 L262 | T258-L260 PolarHBondContact O-N 3.16Å; T258-E261 PolarHBondContact N-OE2 2.69Å; T258-E261 PolarHBondContact O-N 3.41Å; T258-E261 VanDerWaalsContact O-N 3.16Å; T258-E261 VanDerWaalsContact OG1-CG 3.25Å; T258-E261 WeakPolarHBondContact OG1-CG 3.44Å; T258-E261 PolarHBondContact OG1-N 3.22Å; T258-E261 PolarHBondContact OG1-OE2 3.46Å; T258-E261 VanDerWaalsContact OG1-OE2 3.13Å; T258-L262 PolarHBondContact O-N 3.28Å |
| 259 | I | 88.8 | Confident | 85.6 | Confident | 63 Ų | 63 | 96.8 Ų | 96.8 | 32% | 0.323 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -55.7 | -40.1 | 176.4 | -66.3 | 173.2 | 0 | 0 | 0 | 111.1 | F81 L262 F263 A402 A405 V406 | F81-I259 HydrophobicContact CE1-CD1 4.07Å; I259-L262 WeakPolarHBondContact O-CB 3.45Å; I259-L262 PolarHBondContact O-N 2.81Å; I259-F263 HydrophobicContact CG2-CD2 4.35Å; I259-F263 HydrophobicContact CG2-CE2 3.92Å; I259-F263 VanDerWaalsContact O-CD2 3.26Å; I259-F263 WeakPolarHBondContact O-CD2 3.49Å; I259-A402 HydrophobicContact CG1-CB 4.06Å; I259-A405 HydrophobicContact CD1-CB 4.42Å; I259-V406 HydrophobicContact CB-CG2 4.49Å; I259-V406 HydrophobicContact CG1-CG2 4.28Å; I259-V406 HydrophobicContact CG2-CG2 3.64Å |
| 260 | L | 90 | Very high | 85.9 | Confident | 101 Ų | 101 | 92.4 Ų | 92.4 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | -179.6 | -134.4 | 79.9 | 0 | 0 | 0 | 112.5 | T258 L262 F263 R264 | T258-L260 PolarHBondContact O-N 3.16Å; L260-L262 PolarHBondContact O-N 2.87Å; L260-F263 PolarHBondContact O-N 2.93Å; L260-R264 VanDerWaalsContact CD2-CZ 3.41Å; L260-R264 VanDerWaalsContact CD2-NH2 3.32Å; L260-R264 VanDerWaalsContact O-CG 3.32Å; L260-R264 WeakPolarHBondContact O-CG 3.39Å; L260-R264 PolarHBondContact O-N 3.4Å; L260-R264 VanDerWaalsContact O-N 3.17Å |
| 261 | E | 90.4 | Very high | 86.5 | Confident | 60 Ų | 60 | 88.7 Ų | 88.7 | 28% | 0.28 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.5 | -30.9 | 176.3 | -75.3 | 168.7 | 153.7 | 0 | 0 | 111.7 | K255 V257 T258 F263 R264 S265 | K255-E261 IonicContact NZ-OE1 3.78Å; K255-E261 PolarHBondContact NZ-OE1 3.15Å; V257-E261 WeakPolarHBondContact CA-OE2 3.49Å; V257-E261 HydrophobicContact CG1-CB 3.54Å; T258-E261 PolarHBondContact N-OE2 2.69Å; T258-E261 PolarHBondContact O-N 3.41Å; T258-E261 VanDerWaalsContact O-N 3.16Å; T258-E261 VanDerWaalsContact OG1-CG 3.25Å; T258-E261 WeakPolarHBondContact OG1-CG 3.44Å; T258-E261 PolarHBondContact OG1-N 3.22Å; T258-E261 PolarHBondContact OG1-OE2 3.46Å; T258-E261 VanDerWaalsContact OG1-OE2 3.13Å; E261-F263 VanDerWaalsContact C-N 3.31Å; E261-F263 PolarHBondContact O-N 3.2Å; E261-R264 PolarHBondContact O-N 2.93Å; E261-S265 WeakPolarHBondContact O-CB 3.24Å; E261-S265 PolarHBondContact O-N 2.86Å |
| 262 | L | 88.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 177.1 | -136.9 | 72.4 | 0 | 0 | 0 | 112.6 | V257 T258 I259 L260 Y268 I272 F395 P399 A402 A403 V406 | V257-L262 HydrophobicContact CG1-CD1 3.95Å; T258-L262 PolarHBondContact O-N 3.28Å; I259-L262 WeakPolarHBondContact O-CB 3.45Å; I259-L262 PolarHBondContact O-N 2.81Å; L260-L262 PolarHBondContact O-N 2.87Å; L262-Y268 HydrophobicContact CD1-CD2 4.28Å; L262-Y268 HydrophobicContact CD1-CG 4.23Å; L262-Y268 WeakPolarHBondContact O-CB 3.5Å; L262-I272 HydrophobicContact CD2-CB 4.3Å; L262-I272 HydrophobicContact CD2-CD1 3.5Å; L262-I272 HydrophobicContact CD2-CG1 3.78Å; L262-I272 HydrophobicContact CG-CB 4.47Å; L262-I272 HydrophobicContact CG-CG1 4.37Å; L262-F395 HydrophobicContact CD1-CE1 4.21Å; L262-F395 HydrophobicContact CG-CE1 4.44Å; L262-P399 HydrophobicContact CD1-CB 3.72Å; L262-A402 HydrophobicContact CD1-CB 4.5Å; L262-A402 HydrophobicContact CD2-CB 4.43Å; L262-A403 HydrophobicContact CD2-CB 3.95Å; L262-V406 HydrophobicContact CD2-CG2 4.5Å |
| 263 | F | 92.6 | Very high | 88.3 | Confident | 101 Ų | 101 | 83 Ų | 83 | 44% | 0.443 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -87.9 | -19.6 | 177.9 | -65.1 | -71.8 | 0 | 0 | 0 | 113.6 | I259 L260 E261 R269 I272 V406 | I259-F263 HydrophobicContact CG2-CD2 4.35Å; I259-F263 HydrophobicContact CG2-CE2 3.92Å; I259-F263 VanDerWaalsContact O-CD2 3.26Å; I259-F263 WeakPolarHBondContact O-CD2 3.49Å; L260-F263 PolarHBondContact O-N 2.93Å; E261-F263 VanDerWaalsContact C-N 3.31Å; E261-F263 PolarHBondContact O-N 3.2Å; F263-R269 PolarHBondContact O-NE 3.12Å; F263-R269 PolarHBondContact O-NH2 2.89Å; F263-I272 HydrophobicContact CD1-CG2 4.31Å; F263-I272 HydrophobicContact CE1-CG1 4.16Å; F263-I272 HydrophobicContact CE1-CG2 4.34Å; F263-I272 HydrophobicContact CZ-CG1 4.41Å; F263-V406 HydrophobicContact CE2-CG1 4.36Å; F263-V406 HydrophobicContact CE2-CG2 4.05Å; F263-V406 HydrophobicContact CZ-CG1 3.68Å; F263-V406 HydrophobicContact CZ-CG2 4.2Å |
| 264 | R | 92.4 | Very high | 88.9 | Confident | 173 Ų | 173 | 73.3 Ų | 73.3 | 65% | 0.653 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -86.1 | -39.8 | -179.9 | -73.4 | 175.1 | 176.7 | -171.5 | -2.3 | 112.5 | L260 E261 P266 | L260-R264 VanDerWaalsContact CD2-CZ 3.41Å; L260-R264 VanDerWaalsContact CD2-NH2 3.32Å; L260-R264 VanDerWaalsContact O-CG 3.32Å; L260-R264 WeakPolarHBondContact O-CG 3.39Å; L260-R264 PolarHBondContact O-N 3.4Å; L260-R264 VanDerWaalsContact O-N 3.17Å; E261-R264 PolarHBondContact O-N 2.93Å; R264-P266 WeakPolarHBondContact O-CD 3.4Å |
| 265 | S | 90 | Very high | 89.6 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | trans | -75.9 | 124.7 | -175.7 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | E261 A267 Y268 R269 | E261-S265 WeakPolarHBondContact O-CB 3.24Å; E261-S265 PolarHBondContact O-N 2.86Å; S265-A267 PolarHBondContact O-N 3.33Å; S265-A267 VanDerWaalsContact O-N 3.17Å; S265-A267 PolarHBondContact OG-N 3.35Å; S265-Y268 PolarHBondContact O-N 3.44Å; S265-Y268 VanDerWaalsContact O-N 3.08Å; S265-R269 WeakPolarHBondContact O-CG 3.45Å; S265-R269 PolarHBondContact O-N 3.36Å | ||
| 266 | P | 88 | Confident | 90.2 | Very high | 106 Ų | 106 | 64.1 Ų | 64.1 | 69% | 0.688 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -55.4 | -31.9 | 174.4 | -25.7 | 34.8 | 0 | 0 | 0 | 113.6 | R264 Y268 | R264-P266 WeakPolarHBondContact O-CD 3.4Å; P266-Y268 VanDerWaalsContact C-N 3.28Å; P266-Y268 PolarHBondContact O-N 2.75Å |
| 267 | A | 85.1 | Confident | 91.1 | Very high | 58 Ų | 58 | 58.1 Ų | 58.1 | 48% | 0.479 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.1 | -26.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S265 | S265-A267 PolarHBondContact O-N 3.33Å; S265-A267 VanDerWaalsContact O-N 3.17Å; S265-A267 PolarHBondContact OG-N 3.35Å |
| 268 | Y | 89.1 | Confident | 91.6 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -103.4 | -18.6 | -177.1 | -58.5 | -43.5 | 0 | 0 | 0 | 113.4 | V257 L262 S265 P266 Q270 P271 I272 P399 | V257-Y268 HydrophobicContact CG1-CD2 4.19Å; V257-Y268 HydrophobicContact CG1-CE2 3.9Å; V257-Y268 HydrophobicContact CG2-CE2 4Å; L262-Y268 HydrophobicContact CD1-CD2 4.28Å; L262-Y268 HydrophobicContact CD1-CG 4.23Å; L262-Y268 WeakPolarHBondContact O-CB 3.5Å; S265-Y268 PolarHBondContact O-N 3.44Å; S265-Y268 VanDerWaalsContact O-N 3.08Å; P266-Y268 VanDerWaalsContact C-N 3.28Å; P266-Y268 PolarHBondContact O-N 2.75Å; Y268-Q270 PolarHBondContact O-N 3.24Å; Y268-P271 WeakPolarHBondContact O-CD 3.29Å; Y268-I272 WeakPolarHBondContact O-CB 3.32Å; Y268-I272 VanDerWaalsContact O-CG2 3.23Å; Y268-I272 WeakPolarHBondContact O-CG2 3.34Å; Y268-I272 PolarHBondContact O-N 3.32Å; Y268-P399 HydrophobicContact CE1-CB 4.23Å; Y268-P399 HydrophobicContact CE1-CG 3.92Å |
| 269 | R | 91.6 | Very high | 91.9 | Very high | 142 Ų | 142 | 53.6 Ų | 53.6 | 54% | 0.536 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.3 | -43.7 | -176.9 | -83 | 178.9 | 177.5 | -176.9 | -1 | 113.9 | F263 S265 I272 L273 | F263-R269 PolarHBondContact O-NE 3.12Å; F263-R269 PolarHBondContact O-NH2 2.89Å; S265-R269 WeakPolarHBondContact O-CG 3.45Å; S265-R269 PolarHBondContact O-N 3.36Å; R269-I272 WeakPolarHBondContact O-CG2 3.38Å; R269-L273 VanDerWaalsContact O-CB 3.25Å; R269-L273 WeakPolarHBondContact O-CB 3.5Å; R269-L273 PolarHBondContact O-N 2.83Å |
| 270 | Q | 91.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 33% | 0.327 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -74.1 | -47 | -178.6 | -170.4 | 169.7 | -2 | 0 | 0 | 112.4 | Y268 I272 L273 I274 F467 | Y268-Q270 PolarHBondContact O-N 3.24Å; Q270-I272 VanDerWaalsContact C-N 3.33Å; Q270-I272 PolarHBondContact O-N 2.96Å; Q270-L273 PolarHBondContact O-N 3.06Å; Q270-I274 HydrophobicContact CG-CD1 4.37Å; Q270-I274 WeakPolarHBondContact O-CG1 3.38Å; Q270-I274 PolarHBondContact O-N 3.1Å; Q270-F467 HydrophobicContact CB-CD1 4.16Å; Q270-F467 HydrophobicContact CB-CE1 4.47Å; Q270-F467 VanDerWaalsContact CD-CD1 3.48Å; Q270-F467 HydrophobicContact CG-CD1 3.68Å; Q270-F467 HydrophobicContact CG-CE1 3.76Å |
| 271 | P | 91.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.7 | -41.9 | 170.3 | -28.3 | 34.6 | 0 | 0 | 0 | 113.9 | Y268 I274 A275 L394 F395 F467 | Y268-P271 WeakPolarHBondContact O-CD 3.29Å; P271-I274 PolarHBondContact O-N 3.16Å; P271-A275 WeakPolarHBondContact O-CB 3.14Å; P271-A275 PolarHBondContact O-N 3.14Å; P271-L394 HydrophobicContact CB-CB 4.45Å; P271-F395 HydrophobicContact CB-CE1 3.81Å; P271-F395 HydrophobicContact CB-CE2 3.93Å; P271-F395 HydrophobicContact CB-CZ 3.49Å; P271-F395 VanDerWaalsContact CB-CZ 3.49Å; P271-F467 HydrophobicContact CG-CD2 3.87Å; P271-F467 HydrophobicContact CG-CE2 3.83Å; P271-F467 HydrophobicContact CG-CG 4.4Å; P271-F467 HydrophobicContact CG-CZ 4.33Å |
| 272 | I | 93.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.2 | -35.7 | -178.3 | -165.5 | 57 | 0 | 0 | 0 | 112 | L262 F263 Y268 R269 Q270 I274 A275 V276 F395 A403 V406 | L262-I272 HydrophobicContact CD2-CB 4.3Å; L262-I272 HydrophobicContact CD2-CD1 3.5Å; L262-I272 HydrophobicContact CD2-CG1 3.78Å; L262-I272 HydrophobicContact CG-CB 4.47Å; L262-I272 HydrophobicContact CG-CG1 4.37Å; F263-I272 HydrophobicContact CD1-CG2 4.31Å; F263-I272 HydrophobicContact CE1-CG1 4.16Å; F263-I272 HydrophobicContact CE1-CG2 4.34Å; F263-I272 HydrophobicContact CZ-CG1 4.41Å; Y268-I272 WeakPolarHBondContact O-CB 3.32Å; Y268-I272 VanDerWaalsContact O-CG2 3.23Å; Y268-I272 WeakPolarHBondContact O-CG2 3.34Å; Y268-I272 PolarHBondContact O-N 3.32Å; R269-I272 WeakPolarHBondContact O-CG2 3.38Å; Q270-I272 VanDerWaalsContact C-N 3.33Å; Q270-I272 PolarHBondContact O-N 2.96Å; I272-I274 VanDerWaalsContact C-N 3.31Å; I272-I274 PolarHBondContact O-N 3.33Å; I272-A275 HydrophobicContact CD1-CB 4.21Å; I272-A275 PolarHBondContact O-N 2.89Å; I272-V276 HydrophobicContact CD1-CG2 4.46Å; I272-V276 HydrophobicContact CG1-CG2 4.38Å; I272-V276 WeakPolarHBondContact O-CB 3.24Å; I272-V276 VanDerWaalsContact O-CG2 3.31Å; I272-V276 WeakPolarHBondContact O-CG2 3.24Å; I272-V276 PolarHBondContact O-N 3.47Å; I272-F395 HydrophobicContact CB-CZ 3.97Å; I272-F395 HydrophobicContact CD1-CZ 4.1Å; I272-A403 HydrophobicContact CD1-CB 4.32Å; I272-V406 HydrophobicContact CD1-CB 4.02Å; I272-V406 HydrophobicContact CD1-CG1 3.79Å; I272-V406 HydrophobicContact CG1-CG1 4.12Å |
| 273 | L | 95.9 | Very high | 93.2 | Very high | 90 Ų | 90 | 46.3 Ų | 46.3 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 172 | 178.3 | 64.4 | 0 | 0 | 0 | 110.7 | R269 Q270 V276 V277 F447 | R269-L273 VanDerWaalsContact O-CB 3.25Å; R269-L273 WeakPolarHBondContact O-CB 3.5Å; R269-L273 PolarHBondContact O-N 2.83Å; Q270-L273 PolarHBondContact O-N 3.06Å; L273-V276 PolarHBondContact O-N 2.63Å; L273-V277 HydrophobicContact CD1-CG2 3.95Å; L273-V277 HydrophobicContact CG-CG2 4.4Å; L273-V277 WeakPolarHBondContact O-CB 3.34Å; L273-V277 VanDerWaalsContact O-CG2 3.26Å; L273-V277 WeakPolarHBondContact O-CG2 3.31Å; L273-V277 PolarHBondContact O-N 2.62Å; L273-F447 HydrophobicContact CD2-CE2 4.43Å; L273-F447 HydrophobicContact CG-CE2 4.45Å; L273-F447 HydrophobicContact CG-CZ 4.25Å |
| 274 | I | 95.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -49.2 | 176.4 | -68.6 | 161.2 | 0 | 0 | 0 | 110.7 | Q270 P271 I272 V276 V277 L278 I390 L394 F447 K451 V452 F467 | Q270-I274 HydrophobicContact CG-CD1 4.37Å; Q270-I274 WeakPolarHBondContact O-CG1 3.38Å; Q270-I274 PolarHBondContact O-N 3.1Å; P271-I274 PolarHBondContact O-N 3.16Å; I272-I274 VanDerWaalsContact C-N 3.31Å; I272-I274 PolarHBondContact O-N 3.33Å; I274-V276 VanDerWaalsContact C-N 3.35Å; I274-V276 PolarHBondContact O-N 3.02Å; I274-V277 PolarHBondContact O-N 3.24Å; I274-L278 HydrophobicContact CG2-CD1 3.68Å; I274-L278 HydrophobicContact CG2-CG 4.17Å; I274-L278 WeakPolarHBondContact O-CB 3.3Å; I274-L278 VanDerWaalsContact O-CG 3.26Å; I274-L278 WeakPolarHBondContact O-CG 3.44Å; I274-L278 PolarHBondContact O-N 3.14Å; I274-I390 HydrophobicContact CG2-CG2 4.42Å; I274-L394 HydrophobicContact CB-CD1 4.05Å; I274-L394 HydrophobicContact CG2-CD1 3.67Å; I274-F447 HydrophobicContact CG1-CE1 4.37Å; I274-F447 HydrophobicContact CG1-CZ 4.31Å; I274-K451 WeakPolarHBondContact CD1-O 3.25Å; I274-V452 HydrophobicContact CG2-CG1 4.36Å; I274-V452 HydrophobicContact CG2-CG2 3.93Å; I274-F467 HydrophobicContact CD1-CE1 3.51Å; I274-F467 HydrophobicContact CD1-CZ 3.54Å |
| 275 | A | 92.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.8 | -47.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P271 I272 Q279 V391 F395 | P271-A275 WeakPolarHBondContact O-CB 3.14Å; P271-A275 PolarHBondContact O-N 3.14Å; I272-A275 HydrophobicContact CD1-CB 4.21Å; I272-A275 PolarHBondContact O-N 2.89Å; A275-Q279 WeakPolarHBondContact O-CG 3.37Å; A275-Q279 PolarHBondContact O-N 3.4Å; A275-V391 HydrophobicContact CB-CG2 3.77Å; A275-F395 HydrophobicContact CB-CE2 4.21Å |
| 276 | V | 95.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 33 Ų | 33 | 17% | 0.17 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -50.1 | 178.3 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | I272 L273 I274 L278 Q279 L280 V406 | I272-V276 HydrophobicContact CD1-CG2 4.46Å; I272-V276 HydrophobicContact CG1-CG2 4.38Å; I272-V276 WeakPolarHBondContact O-CB 3.24Å; I272-V276 VanDerWaalsContact O-CG2 3.31Å; I272-V276 WeakPolarHBondContact O-CG2 3.24Å; I272-V276 PolarHBondContact O-N 3.47Å; L273-V276 PolarHBondContact O-N 2.63Å; I274-V276 VanDerWaalsContact C-N 3.35Å; I274-V276 PolarHBondContact O-N 3.02Å; V276-L278 VanDerWaalsContact C-N 3.31Å; V276-L278 PolarHBondContact O-N 3.08Å; V276-Q279 WeakPolarHBondContact O-CB 3.44Å; V276-Q279 PolarHBondContact O-N 3.05Å; V276-Q279 VanDerWaalsContact O-N 3.14Å; V276-L280 HydrophobicContact CG1-CD1 4.2Å; V276-L280 HydrophobicContact CG1-CG 4.37Å; V276-L280 WeakPolarHBondContact O-CG 3.21Å; V276-L280 PolarHBondContact O-N 2.84Å; V276-V406 HydrophobicContact CG2-CG1 3.8Å |
| 277 | V | 97.5 | Very high | 94 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 13% | 0.127 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.6 | -35.3 | -177.1 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | L273 I274 L280 S281 F444 F447 | L273-V277 HydrophobicContact CD1-CG2 3.95Å; L273-V277 HydrophobicContact CG-CG2 4.4Å; L273-V277 WeakPolarHBondContact O-CB 3.34Å; L273-V277 VanDerWaalsContact O-CG2 3.26Å; L273-V277 WeakPolarHBondContact O-CG2 3.31Å; L273-V277 PolarHBondContact O-N 2.62Å; I274-V277 PolarHBondContact O-N 3.24Å; V277-L280 PolarHBondContact O-N 2.87Å; V277-S281 WeakPolarHBondContact O-CB 3.34Å; V277-S281 PolarHBondContact O-N 3.17Å; V277-F444 HydrophobicContact CG1-CD1 3.79Å; V277-F444 HydrophobicContact CG1-CE1 3.98Å; V277-F447 HydrophobicContact CB-CD1 4.11Å; V277-F447 HydrophobicContact CB-CE1 3.68Å; V277-F447 HydrophobicContact CB-CE2 4.43Å; V277-F447 HydrophobicContact CB-CZ 3.86Å; V277-F447 HydrophobicContact CG1-CB 4.46Å; V277-F447 HydrophobicContact CG1-CD1 3.42Å; V277-F447 VanDerWaalsContact CG1-CD1 3.42Å; V277-F447 HydrophobicContact CG1-CD2 4.18Å; V277-F447 HydrophobicContact CG1-CE1 3.55Å; V277-F447 HydrophobicContact CG1-CE2 4.28Å; V277-F447 HydrophobicContact CG1-CG 3.76Å; V277-F447 HydrophobicContact CG1-CZ 3.98Å; V277-F447 HydrophobicContact CG2-CE1 4.24Å; V277-F447 HydrophobicContact CG2-CE2 4.12Å; V277-F447 HydrophobicContact CG2-CZ 3.89Å |
| 278 | L | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66 | -39 | 174.5 | -72.1 | 176.3 | 0 | 0 | 0 | 112.2 | I274 V276 S281 Q282 H337 P387 I390 V452 | I274-L278 HydrophobicContact CG2-CD1 3.68Å; I274-L278 HydrophobicContact CG2-CG 4.17Å; I274-L278 WeakPolarHBondContact O-CB 3.3Å; I274-L278 VanDerWaalsContact O-CG 3.26Å; I274-L278 WeakPolarHBondContact O-CG 3.44Å; I274-L278 PolarHBondContact O-N 3.14Å; V276-L278 VanDerWaalsContact C-N 3.31Å; V276-L278 PolarHBondContact O-N 3.08Å; L278-S281 WeakPolarHBondContact CA-OG 3.15Å; L278-S281 PolarHBondContact O-N 3.33Å; L278-S281 PolarHBondContact O-OG 3.22Å; L278-Q282 PolarHBondContact O-N 2.97Å; L278-Q282 VanDerWaalsContact O-N 3.07Å; L278-H337 WeakPolarHBondContact CD2-NE2 3.43Å; L278-P387 HydrophobicContact CB-CB 4.06Å; L278-P387 HydrophobicContact CB-CG 4.28Å; L278-I390 HydrophobicContact CD1-CB 3.94Å; L278-I390 HydrophobicContact CD1-CD1 3.7Å; L278-I390 HydrophobicContact CD1-CG1 4.41Å; L278-I390 HydrophobicContact CD1-CG2 3.57Å; L278-V452 HydrophobicContact CD1-CG1 4.44Å; L278-V452 HydrophobicContact CD2-CG2 4.18Å; L278-V452 HydrophobicContact CG-CG2 4.48Å |
| 279 | Q | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 174.3 | -65 | -69.5 | -2.7 | 0 | 0 | 111.8 | A275 V276 S281 Q282 Q283 A407 N411 | A275-Q279 WeakPolarHBondContact O-CG 3.37Å; A275-Q279 PolarHBondContact O-N 3.4Å; V276-Q279 WeakPolarHBondContact O-CB 3.44Å; V276-Q279 PolarHBondContact O-N 3.05Å; V276-Q279 VanDerWaalsContact O-N 3.14Å; Q279-S281 VanDerWaalsContact C-N 3.33Å; Q279-Q282 WeakPolarHBondContact O-CB 3.49Å; Q279-Q282 PolarHBondContact O-N 3.3Å; Q279-Q283 PolarHBondContact O-N 3.2Å; Q279-A407 HydrophobicContact CG-CB 3.87Å; Q279-A407 WeakPolarHBondContact CG-O 3.34Å; Q279-N411 HydrophobicContact CB-CB 4.22Å; Q279-N411 PolarHBondContact OE1-ND2 3.28Å |
| 280 | L | 96.8 | Very high | 94.2 | Very high | 48 Ų | 48 | 15.9 Ų | 15.9 | 25% | 0.251 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 170.8 | -64.6 | 179.8 | 0 | 0 | 0 | 111.1 | V276 V277 Q282 Q283 L284 F444 | V276-L280 HydrophobicContact CG1-CD1 4.2Å; V276-L280 HydrophobicContact CG1-CG 4.37Å; V276-L280 WeakPolarHBondContact O-CG 3.21Å; V276-L280 PolarHBondContact O-N 2.84Å; V277-L280 PolarHBondContact O-N 2.87Å; L280-Q282 PolarHBondContact O-N 3.25Å; L280-Q283 PolarHBondContact O-N 2.79Å; L280-L284 HydrophobicContact CB-CD1 4.26Å; L280-L284 HydrophobicContact CD2-CD1 4.37Å; L280-L284 WeakPolarHBondContact O-CA 3.41Å; L280-L284 WeakPolarHBondContact O-CB 3.47Å; L280-L284 PolarHBondContact O-N 3.23Å; L280-F444 HydrophobicContact CB-CE1 4.02Å; L280-F444 HydrophobicContact CB-CZ 3.93Å |
| 281 | S | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.007 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.8 | -31.6 | 179.1 | 79.4 | 0 | 0 | 0 | 0 | 113.2 | V277 L278 Q279 S285 H337 | V277-S281 WeakPolarHBondContact O-CB 3.34Å; V277-S281 PolarHBondContact O-N 3.17Å; L278-S281 WeakPolarHBondContact CA-OG 3.15Å; L278-S281 PolarHBondContact O-N 3.33Å; L278-S281 PolarHBondContact O-OG 3.22Å; Q279-S281 VanDerWaalsContact C-N 3.33Å; S281-S285 VanDerWaalsContact O-CB 3.29Å; S281-S285 WeakPolarHBondContact O-CB 3.29Å; S281-S285 PolarHBondContact O-N 2.77Å; S281-H337 PolarHBondContact OG-CE1 3.5Å; S281-H337 PolarHBondContact OG-NE2 3.14Å |
| 282 | Q | 95.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 12.8 Ų | 12.8 | 5% | 0.047 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65 | -50.9 | 174 | 178.8 | 171.2 | 97.3 | 0 | 0 | 111.2 | L278 Q279 L280 S285 F379 P383 G384 P387 N411 | L278-Q282 PolarHBondContact O-N 2.97Å; L278-Q282 VanDerWaalsContact O-N 3.07Å; Q279-Q282 WeakPolarHBondContact O-CB 3.49Å; Q279-Q282 PolarHBondContact O-N 3.3Å; L280-Q282 PolarHBondContact O-N 3.25Å; Q282-S285 WeakPolarHBondContact O-CB 3.29Å; Q282-S285 PolarHBondContact O-OG 2.89Å; Q282-F379 HydrophobicContact CG-CE2 3.83Å; Q282-F379 HydrophobicContact CG-CZ 3.91Å; Q282-P383 WeakPolarHBondContact CG-O 3.06Å; Q282-P383 PolarHBondContact NE2-O 3.33Å; Q282-G384 PolarHBondContact NE2-O 2.92Å; Q282-P387 HydrophobicContact CB-CG 4.21Å; Q282-N411 PolarHBondContact OE1-ND2 3.41Å |
| 283 | Q | 94.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 12.6 Ų | 12.6 | 5% | 0.051 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -86 | -45.8 | -169.6 | -58.8 | -62.4 | -7.1 | 0 | 0 | 112.5 | Q279 L280 S285 G286 N288 N411 S414 N415 | Q279-Q283 PolarHBondContact O-N 3.2Å; L280-Q283 PolarHBondContact O-N 2.79Å; Q283-S285 PolarHBondContact O-N 3.42Å; Q283-G286 PolarHBondContact O-N 3.4Å; Q283-G286 VanDerWaalsContact O-N 3.14Å; Q283-N288 PolarHBondContact OE1-ND2 2.89Å; Q283-N411 WeakPolarHBondContact CG-O 3.47Å; Q283-N411 PolarHBondContact NE2-ND2 3.06Å; Q283-N411 PolarHBondContact NE2-OD1 3.39Å; Q283-S414 VanDerWaalsContact CB-OG 3.23Å; Q283-S414 WeakPolarHBondContact CB-OG 3.3Å; Q283-S414 WeakPolarHBondContact CG-OG 3.34Å; Q283-N415 HydrophobicContact CG-CB 4.33Å |
| 284 | L | 96.4 | Very high | 93.6 | Very high | 32 Ų | 32 | 8.3 Ų | 8.3 | 17% | 0.168 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -1 | 176.5 | -59.2 | -176 | 0 | 0 | 0 | 113.1 | L280 G286 V418 L440 F444 | L280-L284 HydrophobicContact CB-CD1 4.26Å; L280-L284 HydrophobicContact CD2-CD1 4.37Å; L280-L284 WeakPolarHBondContact O-CA 3.41Å; L280-L284 WeakPolarHBondContact O-CB 3.47Å; L280-L284 PolarHBondContact O-N 3.23Å; L284-G286 PolarHBondContact O-N 3.26Å; L284-V418 HydrophobicContact CD2-CG2 3.77Å; L284-L440 HydrophobicContact CB-CD1 4.34Å; L284-F444 HydrophobicContact CB-CE2 3.88Å; L284-F444 HydrophobicContact CB-CZ 4.14Å; L284-F444 HydrophobicContact CD1-CZ 4.14Å |
| 285 | S | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.3 | 162.2 | 67.8 | 0 | 0 | 0 | 0 | 112 | S281 Q282 Q283 I287 M344 F375 F437 | S281-S285 VanDerWaalsContact O-CB 3.29Å; S281-S285 WeakPolarHBondContact O-CB 3.29Å; S281-S285 PolarHBondContact O-N 2.77Å; Q282-S285 WeakPolarHBondContact O-CB 3.29Å; Q282-S285 PolarHBondContact O-OG 2.89Å; Q283-S285 PolarHBondContact O-N 3.42Å; S285-I287 PolarHBondContact OG-N 3.12Å; S285-M344 VanDerWaalsContact CB-CE 3.48Å; S285-F375 VanDerWaalsContact O-CZ 3.29Å; S285-F375 WeakPolarHBondContact O-CZ 3.43Å; S285-F437 WeakPolarHBondContact O-CB 3.43Å |
| 286 | G | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | 5.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q283 L284 N288 A289 V290 F437 | Q283-G286 PolarHBondContact O-N 3.4Å; Q283-G286 VanDerWaalsContact O-N 3.14Å; L284-G286 PolarHBondContact O-N 3.26Å; G286-N288 VanDerWaalsContact C-N 3.28Å; G286-N288 PolarHBondContact O-N 2.95Å; G286-A289 VanDerWaalsContact O-CB 3.25Å; G286-A289 WeakPolarHBondContact O-CB 3.15Å; G286-A289 PolarHBondContact O-N 3.44Å; G286-V290 PolarHBondContact O-N 2.91Å; G286-F437 VanDerWaalsContact CA-CE1 3.43Å |
| 287 | I | 93.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.1 | -37.5 | -178.1 | -165.4 | 64.8 | 0 | 0 | 0 | 113.8 | S285 A289 V290 F291 F375 V376 F379 | S285-I287 PolarHBondContact OG-N 3.12Å; I287-A289 VanDerWaalsContact C-N 3.29Å; I287-A289 PolarHBondContact O-N 3.34Å; I287-V290 WeakPolarHBondContact O-CB 3.36Å; I287-V290 PolarHBondContact O-N 3.38Å; I287-V290 VanDerWaalsContact O-N 3.12Å; I287-F291 HydrophobicContact CD1-CE2 4.05Å; I287-F291 HydrophobicContact CD1-CZ 4.03Å; I287-F291 HydrophobicContact CG1-CD2 3.91Å; I287-F291 HydrophobicContact CG1-CE2 3.39Å; I287-F291 HydrophobicContact CG1-CZ 3.9Å; I287-F291 PolarHBondContact O-N 2.98Å; I287-F375 HydrophobicContact CB-CE1 4.47Å; I287-F375 HydrophobicContact CD1-CD1 4.06Å; I287-F375 HydrophobicContact CD1-CE1 3.97Å; I287-V376 HydrophobicContact CD1-CG2 4.04Å; I287-F379 HydrophobicContact CB-CD2 3.86Å; I287-F379 HydrophobicContact CB-CE2 3.83Å; I287-F379 HydrophobicContact CB-CG 4.27Å; I287-F379 HydrophobicContact CB-CZ 4.22Å; I287-F379 HydrophobicContact CD1-CB 3.88Å; I287-F379 HydrophobicContact CD1-CD1 3.91Å; I287-F379 HydrophobicContact CD1-CD2 4.16Å; I287-F379 HydrophobicContact CD1-CG 3.7Å; I287-F379 HydrophobicContact CG1-CB 4.45Å; I287-F379 HydrophobicContact CG1-CD1 3.75Å; I287-F379 HydrophobicContact CG1-CD2 3.84Å; I287-F379 HydrophobicContact CG1-CE1 3.87Å; I287-F379 HydrophobicContact CG1-CE2 3.95Å; I287-F379 HydrophobicContact CG1-CG 3.73Å; I287-F379 HydrophobicContact CG1-CZ 3.96Å; I287-F379 HydrophobicContact CG2-CD2 4.14Å; I287-F379 HydrophobicContact CG2-CE2 3.57Å; I287-F379 HydrophobicContact CG2-CZ 3.78Å |
| 288 | N | 88.9 | Confident | 93.1 | Very high | 9 Ų | 9 | 7.6 Ų | 7.6 | 5% | 0.048 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -71.5 | -24.5 | 176.3 | -65.7 | -34.9 | 0 | 0 | 0 | 113.1 | Q283 G286 V290 F291 Y292 N415 V418 | Q283-N288 PolarHBondContact OE1-ND2 2.89Å; G286-N288 VanDerWaalsContact C-N 3.28Å; G286-N288 PolarHBondContact O-N 2.95Å; N288-V290 PolarHBondContact O-N 3.47Å; N288-F291 PolarHBondContact O-N 3.24Å; N288-Y292 HydrophobicContact CB-CD2 3.91Å; N288-Y292 HydrophobicContact CB-CE2 3.64Å; N288-Y292 HydrophobicContact CB-CG 4.49Å; N288-Y292 WeakPolarHBondContact O-CB 3.19Å; N288-Y292 WeakPolarHBondContact O-CD2 3.15Å; N288-Y292 PolarHBondContact O-N 2.94Å; N288-N415 PolarHBondContact ND2-ND2 3.3Å; N288-V418 HydrophobicContact CB-CG1 4.24Å |
| 289 | A | 90.4 | Very high | 93 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G286 I287 Y293 V418 F422 F437 | G286-A289 VanDerWaalsContact O-CB 3.25Å; G286-A289 WeakPolarHBondContact O-CB 3.15Å; G286-A289 PolarHBondContact O-N 3.44Å; I287-A289 VanDerWaalsContact C-N 3.29Å; I287-A289 PolarHBondContact O-N 3.34Å; A289-Y293 WeakPolarHBondContact O-CA 3.39Å; A289-Y293 VanDerWaalsContact O-CB 3.29Å; A289-Y293 WeakPolarHBondContact O-CB 3.4Å; A289-Y293 PolarHBondContact O-N 3.32Å; A289-V418 HydrophobicContact CB-CG1 4.28Å; A289-F422 HydrophobicContact CB-CD1 4.12Å; A289-F422 HydrophobicContact CB-CD2 3.51Å; A289-F422 HydrophobicContact CB-CE1 4.16Å; A289-F422 HydrophobicContact CB-CE2 3.56Å; A289-F422 HydrophobicContact CB-CG 3.8Å; A289-F422 HydrophobicContact CB-CZ 3.88Å; A289-F437 HydrophobicContact CB-CE2 4.13Å; A289-F437 HydrophobicContact CB-CZ 3.98Å |
| 290 | V | 91.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.3 | -49.6 | 172.2 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | N34 G286 I287 N288 Y292 S294 I372 F375 V376 | N34-V290 PolarHBondContact ND2-O 3.39Å; G286-V290 PolarHBondContact O-N 2.91Å; I287-V290 WeakPolarHBondContact O-CB 3.36Å; I287-V290 PolarHBondContact O-N 3.38Å; I287-V290 VanDerWaalsContact O-N 3.12Å; N288-V290 PolarHBondContact O-N 3.47Å; V290-Y292 PolarHBondContact O-N 2.99Å; V290-S294 WeakPolarHBondContact O-CA 3.45Å; V290-S294 WeakPolarHBondContact O-CB 3.24Å; V290-S294 PolarHBondContact O-N 2.6Å; V290-S294 PolarHBondContact O-OG 3.25Å; V290-I372 HydrophobicContact CG1-CG2 3.6Å; V290-I372 HydrophobicContact CG2-CD1 3.96Å; V290-F375 HydrophobicContact CG2-CD1 4.06Å; V290-F375 HydrophobicContact CG2-CE1 4.03Å; V290-V376 HydrophobicContact CG1-CG2 4.01Å |
| 291 | F | 87.6 | Confident | 92.6 | Very high | 11 Ų | 11 | 14.8 Ų | 14.8 | 5% | 0.048 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69 | -31.3 | -176.5 | -67.3 | -40.7 | 0 | 0 | 0 | 114.1 | N34 I168 I287 N288 N317 | N34-F291 WeakPolarHBondContact CB-O 3.35Å; N34-F291 PolarHBondContact ND2-O 3.43Å; I168-F291 HydrophobicContact CD1-CE2 4.42Å; I168-F291 HydrophobicContact CG2-CD1 4.36Å; I287-F291 HydrophobicContact CD1-CE2 4.05Å; I287-F291 HydrophobicContact CD1-CZ 4.03Å; I287-F291 HydrophobicContact CG1-CD2 3.91Å; I287-F291 HydrophobicContact CG1-CE2 3.39Å; I287-F291 HydrophobicContact CG1-CZ 3.9Å; I287-F291 PolarHBondContact O-N 2.98Å; N288-F291 PolarHBondContact O-N 3.24Å; F291-N317 WeakPolarHBondContact CZ-ND2 3.4Å |
| 292 | Y | 88.3 | Confident | 92.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -88.5 | -32.4 | 179.3 | -59.5 | -21.7 | 0 | 0 | 0 | 113.2 | T30 I33 N34 V69 N288 V290 N415 | T30-Y292 HydrophobicContact CG2-CE1 3.8Å; T30-Y292 WeakPolarHBondContact O-CD1 3.35Å; T30-Y292 WeakPolarHBondContact O-CE1 3.29Å; I33-Y292 HydrophobicContact CD1-CD1 3.87Å; I33-Y292 HydrophobicContact CD1-CG 4.11Å; N34-Y292 WeakPolarHBondContact CA-O 3.39Å; N34-Y292 VanDerWaalsContact CB-O 3.32Å; N34-Y292 WeakPolarHBondContact CB-O 3.44Å; N34-Y292 VanDerWaalsContact CG-O 3.28Å; N34-Y292 PolarHBondContact OD1-O 3.4Å; V69-Y292 HydrophobicContact CG1-CD1 4.37Å; V69-Y292 HydrophobicContact CG1-CD2 3.63Å; V69-Y292 HydrophobicContact CG1-CE2 4.06Å; V69-Y292 HydrophobicContact CG1-CG 3.81Å; N288-Y292 HydrophobicContact CB-CD2 3.91Å; N288-Y292 HydrophobicContact CB-CE2 3.64Å; N288-Y292 HydrophobicContact CB-CG 4.49Å; N288-Y292 WeakPolarHBondContact O-CB 3.19Å; N288-Y292 WeakPolarHBondContact O-CD2 3.15Å; N288-Y292 PolarHBondContact O-N 2.94Å; V290-Y292 PolarHBondContact O-N 2.99Å; Y292-N415 PolarHBondContact OH-ND2 3.14Å; Y292-N415 PolarHBondContact OH-OD1 3.04Å |
| 293 | Y | 89.9 | Confident | 92.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -130 | 10 | -168.2 | -50.7 | -66.9 | 0 | 0 | 0 | 114.4 | W65 V69 A289 T295 S296 I297 G419 F422 Q423 | W65-Y293 AromaticContact NE1-CE1 3.69Å; V69-Y293 HydrophobicContact CG2-CE1 4.49Å; A289-Y293 WeakPolarHBondContact O-CA 3.39Å; A289-Y293 VanDerWaalsContact O-CB 3.29Å; A289-Y293 WeakPolarHBondContact O-CB 3.4Å; A289-Y293 PolarHBondContact O-N 3.32Å; Y293-T295 VanDerWaalsContact C-N 3.26Å; Y293-T295 PolarHBondContact O-N 3.37Å; Y293-S296 CarbonylContact O-C 3.48Å; Y293-S296 WeakPolarHBondContact O-CA 3.36Å; Y293-S296 WeakPolarHBondContact O-CB 3.44Å; Y293-S296 PolarHBondContact O-N 3.24Å; Y293-I297 WeakPolarHBondContact O-CG1 3.42Å; Y293-I297 PolarHBondContact O-N 3.45Å; Y293-G419 PolarHBondContact OH-O 3.32Å; Y293-F422 HydrophobicContact CD2-CB 4.45Å; Y293-F422 AromaticContact CD2-CD1 3.27Å; Y293-F422 HydrophobicContact CD2-CD1 3.27Å; Y293-F422 AromaticContact CD2-CE1 3.8Å; Y293-F422 HydrophobicContact CD2-CE1 3.8Å; Y293-F422 HydrophobicContact CD2-CG 4.13Å; Y293-F422 HydrophobicContact CE2-CB 4.12Å; Y293-F422 AromaticContact CE2-CD1 3.71Å; Y293-F422 HydrophobicContact CE2-CD1 3.71Å; Y293-F422 HydrophobicContact CE2-CG 4.29Å; Y293-F422 HydrophobicContact CG-CD1 4.01Å; Y293-F422 HydrophobicContact CG-CE1 4.18Å; Y293-Q423 HydrophobicContact CD1-CG 4.35Å; Y293-Q423 HydrophobicContact CE1-CG 3.95Å; Y293-Q423 VanDerWaalsContact CE1-NE2 3.31Å; Y293-Q423 HydrophobicContact CE2-CG 4.42Å |
| 294 | S | 92.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.8 | -34.7 | -178.7 | 46 | 0 | 0 | 0 | 0 | 114 | N34 V290 S296 I297 F298 T310 | N34-S294 PolarHBondContact ND2-N 3.09Å; N34-S294 PolarHBondContact ND2-OG 3.46Å; N34-S294 PolarHBondContact OD1-N 2.91Å; V290-S294 WeakPolarHBondContact O-CA 3.45Å; V290-S294 WeakPolarHBondContact O-CB 3.24Å; V290-S294 PolarHBondContact O-N 2.6Å; V290-S294 PolarHBondContact O-OG 3.25Å; S294-S296 VanDerWaalsContact C-N 3.34Å; S294-I297 PolarHBondContact O-N 3.23Å; S294-F298 WeakPolarHBondContact O-CB 3.32Å; S294-F298 WeakPolarHBondContact O-CD2 3.45Å; S294-F298 WeakPolarHBondContact O-CG 3.41Å; S294-F298 PolarHBondContact O-N 3.38Å; S294-T310 WeakPolarHBondContact OG-CG2 3.32Å; S294-T310 PolarHBondContact OG-OG1 3.33Å; S294-T310 VanDerWaalsContact OG-OG1 3.09Å |
| 295 | T | 92.4 | Very high | 91.6 | Very high | 17 Ų | 17 | 29 Ų | 29 | 10% | 0.104 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | N34 Y293 E299 P306 V307 T310 | N34-T295 VanDerWaalsContact OD1-CB 3.3Å; N34-T295 WeakPolarHBondContact OD1-CB 3.39Å; N34-T295 PolarHBondContact OD1-N 2.97Å; N34-T295 PolarHBondContact OD1-OG1 2.88Å; Y293-T295 VanDerWaalsContact C-N 3.26Å; Y293-T295 PolarHBondContact O-N 3.37Å; T295-E299 WeakPolarHBondContact O-CB 3.38Å; T295-E299 PolarHBondContact O-N 2.87Å; T295-P306 HydrophobicContact CG2-CB 3.95Å; T295-P306 WeakPolarHBondContact O-CB 3.49Å; T295-V307 HydrophobicContact CG2-CG2 3.82Å; T295-T310 WeakPolarHBondContact CA-OG1 3.37Å; T295-T310 PolarHBondContact N-OG1 3.06Å; T295-T310 PolarHBondContact OG1-OG1 3.42Å |
| 296 | S | 91.8 | Very high | 91.4 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 10% | 0.098 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 172.8 | 170.2 | 0 | 0 | 0 | 0 | 112.4 | Y293 S294 E299 K300 | Y293-S296 CarbonylContact O-C 3.48Å; Y293-S296 WeakPolarHBondContact O-CA 3.36Å; Y293-S296 WeakPolarHBondContact O-CB 3.44Å; Y293-S296 PolarHBondContact O-N 3.24Å; S294-S296 VanDerWaalsContact C-N 3.34Å; S296-E299 PolarHBondContact O-N 3.07Å; S296-K300 WeakPolarHBondContact O-CG 3.36Å; S296-K300 PolarHBondContact O-N 3.47Å |
| 297 | I | 92.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 179.4 | -67.3 | 162.6 | 0 | 0 | 0 | 110.6 | Y293 S294 E299 K300 A301 M351 F422 F434 | Y293-I297 WeakPolarHBondContact O-CG1 3.42Å; Y293-I297 PolarHBondContact O-N 3.45Å; S294-I297 PolarHBondContact O-N 3.23Å; I297-E299 VanDerWaalsContact C-N 3.34Å; I297-K300 PolarHBondContact O-N 3.18Å; I297-A301 WeakPolarHBondContact O-CB 3.47Å; I297-A301 PolarHBondContact O-N 3.41Å; I297-M351 HydrophobicContact CG2-CE 4.44Å; I297-F422 HydrophobicContact CD1-CE1 4.19Å; I297-F422 HydrophobicContact CD1-CZ 3.92Å; I297-F422 HydrophobicContact CG1-CE1 4.44Å; I297-F422 HydrophobicContact CG1-CZ 4.31Å; I297-F434 HydrophobicContact CD1-CZ 4.25Å; I297-F434 HydrophobicContact CG2-CE2 4.37Å; I297-F434 HydrophobicContact CG2-CZ 4.27Å |
| 298 | F | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 178.8 | -75.2 | -44.3 | 0 | 0 | 0 | 112.3 | S294 A301 G302 V303 P306 A309 I369 I372 | S294-F298 WeakPolarHBondContact O-CB 3.32Å; S294-F298 WeakPolarHBondContact O-CD2 3.45Å; S294-F298 WeakPolarHBondContact O-CG 3.41Å; S294-F298 PolarHBondContact O-N 3.38Å; F298-A301 CarbonylContact O-C 3.18Å; F298-A301 WeakPolarHBondContact O-CA 3.49Å; F298-A301 WeakPolarHBondContact O-CB 3.29Å; F298-A301 PolarHBondContact O-N 3.43Å; F298-G302 PolarHBondContact O-N 3.39Å; F298-V303 HydrophobicContact CB-CB 4.01Å; F298-V303 HydrophobicContact CB-CG1 4.48Å; F298-V303 HydrophobicContact CB-CG2 3.97Å; F298-V303 HydrophobicContact CD1-CG2 3.99Å; F298-V303 HydrophobicContact CG-CG2 4.33Å; F298-V303 VanDerWaalsContact O-CB 3.23Å; F298-V303 WeakPolarHBondContact O-CB 3.09Å; F298-V303 WeakPolarHBondContact O-CG2 3.26Å; F298-V303 PolarHBondContact O-N 3.41Å; F298-P306 HydrophobicContact CB-CB 3.84Å; F298-A309 HydrophobicContact CD1-CB 4.32Å; F298-A309 HydrophobicContact CD2-CB 3.54Å; F298-A309 HydrophobicContact CE1-CB 4.4Å; F298-A309 HydrophobicContact CE2-CB 3.6Å; F298-A309 HydrophobicContact CG-CB 3.93Å; F298-A309 HydrophobicContact CZ-CB 4.04Å; F298-I369 HydrophobicContact CD1-CG1 4.23Å; F298-I369 HydrophobicContact CE1-CB 4.38Å; F298-I369 HydrophobicContact CE1-CG1 4.03Å; F298-I372 HydrophobicContact CE1-CB 3.92Å; F298-I372 HydrophobicContact CE1-CG1 3.77Å; F298-I372 HydrophobicContact CE1-CG2 4.34Å; F298-I372 HydrophobicContact CE2-CG2 4.35Å; F298-I372 HydrophobicContact CZ-CB 3.66Å; F298-I372 HydrophobicContact CZ-CG1 3.9Å; F298-I372 HydrophobicContact CZ-CG2 3.61Å |
| 299 | E | 93.7 | Very high | 91.4 | Very high | 85 Ų | 85 | 37.3 Ų | 37.3 | 40% | 0.397 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 174.1 | -175.2 | 173.6 | -133.7 | 0 | 0 | 111.9 | K38 T295 S296 I297 A301 G302 P306 | K38-E299 WeakPolarHBondContact CE-OE2 3.49Å; K38-E299 IonicContact NZ-OE1 2.72Å; K38-E299 PolarHBondContact NZ-OE1 2.61Å; K38-E299 IonicContact NZ-OE2 3.83Å; K38-E299 PolarHBondContact NZ-OE2 3.3Å; T295-E299 WeakPolarHBondContact O-CB 3.38Å; T295-E299 PolarHBondContact O-N 2.87Å; S296-E299 PolarHBondContact O-N 3.07Å; I297-E299 VanDerWaalsContact C-N 3.34Å; E299-A301 PolarHBondContact O-N 2.85Å; E299-G302 PolarHBondContact O-N 3.15Å; E299-P306 HydrophobicContact CB-CB 4.28Å; E299-P306 HydrophobicContact CB-CG 3.77Å; E299-P306 HydrophobicContact CG-CG 4.35Å |
| 300 | K | 91.4 | Very high | 91.6 | Very high | 112 Ų | 112 | 37.3 Ų | 37.3 | 49% | 0.487 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.1 | -27 | 174 | -69.5 | 176.7 | -172.1 | 178.7 | 0 | 112.4 | S296 I297 G302 E426 | S296-K300 WeakPolarHBondContact O-CG 3.36Å; S296-K300 PolarHBondContact O-N 3.47Å; I297-K300 PolarHBondContact O-N 3.18Å; K300-G302 PolarHBondContact O-N 3.32Å; K300-E426 VanDerWaalsContact CD-OE1 3.32Å; K300-E426 WeakPolarHBondContact CD-OE1 3.46Å; K300-E426 IonicContact NZ-OE1 2.55Å; K300-E426 PolarHBondContact NZ-OE1 3.24Å; K300-E426 IonicContact NZ-OE2 2.83Å; K300-E426 PolarHBondContact NZ-OE2 2.81Å |
| 301 | A | 91.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 6.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | I297 F298 E299 V303 L355 L358 S365 S368 | I297-A301 WeakPolarHBondContact O-CB 3.47Å; I297-A301 PolarHBondContact O-N 3.41Å; F298-A301 CarbonylContact O-C 3.18Å; F298-A301 WeakPolarHBondContact O-CA 3.49Å; F298-A301 WeakPolarHBondContact O-CB 3.29Å; F298-A301 PolarHBondContact O-N 3.43Å; E299-A301 PolarHBondContact O-N 2.85Å; A301-V303 VanDerWaalsContact C-N 3.29Å; A301-V303 HydrophobicContact CB-CG2 4.43Å; A301-V303 PolarHBondContact O-N 2.8Å; A301-L355 HydrophobicContact CB-CD2 3.69Å; A301-L358 VanDerWaalsContact O-CD1 3.31Å; A301-L358 WeakPolarHBondContact O-CD1 3.34Å; A301-L358 WeakPolarHBondContact O-CD2 3.2Å; A301-S365 WeakPolarHBondContact O-CA 3.32Å; A301-S365 WeakPolarHBondContact O-CB 2.95Å; A301-S368 WeakPolarHBondContact CB-OG 3.45Å |
| 302 | G | 90.8 | Very high | 92.1 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 35% | 0.351 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 18.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | F298 E299 K300 Q304 | F298-G302 PolarHBondContact O-N 3.39Å; E299-G302 PolarHBondContact O-N 3.15Å; K300-G302 PolarHBondContact O-N 3.32Å; G302-Q304 PolarHBondContact O-N 3.1Å |
| 303 | V | 93.6 | Very high | 92.4 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 11% | 0.109 | 20% | 0.196 | C | C | . | . | trans | -71.8 | 124.9 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | F298 A301 Q305 P306 A309 I369 | F298-V303 HydrophobicContact CB-CB 4.01Å; F298-V303 HydrophobicContact CB-CG1 4.48Å; F298-V303 HydrophobicContact CB-CG2 3.97Å; F298-V303 HydrophobicContact CD1-CG2 3.99Å; F298-V303 HydrophobicContact CG-CG2 4.33Å; F298-V303 VanDerWaalsContact O-CB 3.23Å; F298-V303 WeakPolarHBondContact O-CB 3.09Å; F298-V303 WeakPolarHBondContact O-CG2 3.26Å; F298-V303 PolarHBondContact O-N 3.41Å; A301-V303 VanDerWaalsContact C-N 3.29Å; A301-V303 HydrophobicContact CB-CG2 4.43Å; A301-V303 PolarHBondContact O-N 2.8Å; V303-Q305 VanDerWaalsContact C-N 3.29Å; V303-Q305 PolarHBondContact O-N 2.94Å; V303-P306 WeakPolarHBondContact O-CD 3.45Å; V303-P306 WeakPolarHBondContact O-CG 3.37Å; V303-A309 HydrophobicContact CG1-CB 4.19Å; V303-I369 HydrophobicContact CG1-CD1 3.98Å; V303-I369 HydrophobicContact CG2-CD1 4.03Å; V303-I369 HydrophobicContact CG2-CG1 3.9Å | ||
| 304 | Q | 88.5 | Confident | 92.6 | Very high | 179 Ų | 179 | 38.4 Ų | 38.4 | 84% | 0.836 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -61.9 | -35.4 | -175.7 | -61.5 | -62.6 | -34.5 | 0 | 0 | 113.3 | G302 | G302-Q304 PolarHBondContact O-N 3.1Š|
| 305 | Q | 90.1 | Very high | 92.8 | Very high | 122 Ų | 122 | 42.9 Ų | 42.9 | 57% | 0.57 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -129.3 | 73.5 | -177.4 | -75.5 | -174.9 | -29.3 | 0 | 0 | 110.9 | V303 V307 Y308 A309 | V303-Q305 VanDerWaalsContact C-N 3.29Å; V303-Q305 PolarHBondContact O-N 2.94Å; Q305-V307 VanDerWaalsContact C-N 3.3Å; Q305-V307 PolarHBondContact O-N 3.16Å; Q305-Y308 HydrophobicContact CB-CD2 3.85Å; Q305-Y308 HydrophobicContact CG-CD2 4.31Å; Q305-Y308 PolarHBondContact O-N 2.95Å; Q305-A309 PolarHBondContact O-N 3.37Å |
| 306 | P | 91.4 | Very high | 93 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58 | -38.1 | -171.6 | -26.6 | 36.2 | 0 | 0 | 0 | 114 | T295 F298 E299 V303 Y308 A309 T310 | T295-P306 HydrophobicContact CG2-CB 3.95Å; T295-P306 WeakPolarHBondContact O-CB 3.49Å; F298-P306 HydrophobicContact CB-CB 3.84Å; E299-P306 HydrophobicContact CB-CB 4.28Å; E299-P306 HydrophobicContact CB-CG 3.77Å; E299-P306 HydrophobicContact CG-CG 4.35Å; V303-P306 WeakPolarHBondContact O-CD 3.45Å; V303-P306 WeakPolarHBondContact O-CG 3.37Å; P306-Y308 VanDerWaalsContact C-N 3.34Å; P306-Y308 PolarHBondContact O-N 2.88Å; P306-A309 PolarHBondContact O-N 3.27Å; P306-T310 PolarHBondContact O-N 3.27Å; P306-T310 PolarHBondContact O-OG1 3.22Å |
| 307 | V | 90.6 | Very high | 93.2 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 20% | 0.2 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | -178.8 | -174 | 0 | 0 | 0 | 0 | 111.7 | A35 L176 T295 Q305 T310 I311 | A35-V307 HydrophobicContact CB-CG1 4.28Å; L176-V307 HydrophobicContact CD2-CB 4.29Å; L176-V307 HydrophobicContact CD2-CG1 3.61Å; L176-V307 HydrophobicContact CG-CG1 4.27Å; T295-V307 HydrophobicContact CG2-CG2 3.82Å; Q305-V307 VanDerWaalsContact C-N 3.3Å; Q305-V307 PolarHBondContact O-N 3.16Å; V307-T310 WeakPolarHBondContact O-CB 3.5Å; V307-T310 PolarHBondContact O-N 2.95Å; V307-I311 HydrophobicContact CG1-CD1 4.4Å; V307-I311 WeakPolarHBondContact O-CG1 3.38Å; V307-I311 PolarHBondContact O-N 3.44Å |
| 308 | Y | 93.3 | Very high | 93.3 | Very high | 125 Ų | 125 | 43.6 Ų | 43.6 | 49% | 0.49 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.7 | -36.9 | 177 | -73 | -89.9 | 0 | 0 | 0 | 111.8 | L176 Q305 P306 I311 G312 | L176-Y308 HydrophobicContact CD2-CD2 4.47Å; L176-Y308 HydrophobicContact CD2-CE1 4.38Å; L176-Y308 HydrophobicContact CD2-CE2 4.15Å; Q305-Y308 HydrophobicContact CB-CD2 3.85Å; Q305-Y308 HydrophobicContact CG-CD2 4.31Å; Q305-Y308 PolarHBondContact O-N 2.95Å; P306-Y308 VanDerWaalsContact C-N 3.34Å; P306-Y308 PolarHBondContact O-N 2.88Å; Y308-I311 PolarHBondContact O-N 2.92Å; Y308-G312 PolarHBondContact O-N 3.18Å |
| 309 | A | 94.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F298 V303 Q305 P306 I311 G312 S313 I369 F373 | F298-A309 HydrophobicContact CD1-CB 4.32Å; F298-A309 HydrophobicContact CD2-CB 3.54Å; F298-A309 HydrophobicContact CE1-CB 4.4Å; F298-A309 HydrophobicContact CE2-CB 3.6Å; F298-A309 HydrophobicContact CG-CB 3.93Å; F298-A309 HydrophobicContact CZ-CB 4.04Å; V303-A309 HydrophobicContact CG1-CB 4.19Å; Q305-A309 PolarHBondContact O-N 3.37Å; P306-A309 PolarHBondContact O-N 3.27Å; A309-I311 PolarHBondContact O-N 3.39Å; A309-G312 PolarHBondContact O-N 3.17Å; A309-S313 PolarHBondContact O-N 3.43Å; A309-I369 HydrophobicContact CB-CD1 4.3Å; A309-I369 HydrophobicContact CB-CG1 4.21Å; A309-F373 VanDerWaalsContact O-CE1 3.3Å; A309-F373 WeakPolarHBondContact O-CE1 3.38Å |
| 310 | T | 93.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -46.1 | 171.9 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | Q172 S294 T295 P306 V307 G312 S313 G314 | Q172-T310 HydrophobicContact CG-CG2 3.86Å; Q172-T310 PolarHBondContact NE2-O 3.5Å; Q172-T310 PolarHBondContact OE1-O 3.48Å; S294-T310 WeakPolarHBondContact OG-CG2 3.32Å; S294-T310 PolarHBondContact OG-OG1 3.33Å; S294-T310 VanDerWaalsContact OG-OG1 3.09Å; T295-T310 WeakPolarHBondContact CA-OG1 3.37Å; T295-T310 PolarHBondContact N-OG1 3.06Å; T295-T310 PolarHBondContact OG1-OG1 3.42Å; P306-T310 PolarHBondContact O-N 3.27Å; P306-T310 PolarHBondContact O-OG1 3.22Å; V307-T310 WeakPolarHBondContact O-CB 3.5Å; V307-T310 PolarHBondContact O-N 2.95Å; T310-G312 VanDerWaalsContact C-N 3.31Å; T310-G312 PolarHBondContact O-N 3.05Å; T310-S313 WeakPolarHBondContact O-CB 3.43Å; T310-S313 PolarHBondContact O-N 3.49Å; T310-S313 VanDerWaalsContact O-N 3.14Å; T310-S313 PolarHBondContact O-OG 2.85Å; T310-G314 PolarHBondContact O-N 3.41Å; T310-G314 VanDerWaalsContact O-N 3.15Å |
| 311 | I | 94.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 174.1 | -67.8 | 165.7 | 0 | 0 | 0 | 111 | L169 Q172 V173 L176 V307 Y308 A309 S313 G314 I315 | L169-I311 HydrophobicContact CD1-CG2 4.1Å; Q172-I311 HydrophobicContact CB-CG1 3.93Å; V173-I311 HydrophobicContact CG2-CD1 4.4Å; V173-I311 HydrophobicContact CG2-CG1 4.44Å; V173-I311 HydrophobicContact CG2-CG2 4.21Å; L176-I311 HydrophobicContact CD1-CD1 3.84Å; L176-I311 HydrophobicContact CD2-CD1 3.77Å; L176-I311 HydrophobicContact CG-CD1 3.77Å; V307-I311 HydrophobicContact CG1-CD1 4.4Å; V307-I311 WeakPolarHBondContact O-CG1 3.38Å; V307-I311 PolarHBondContact O-N 3.44Å; Y308-I311 PolarHBondContact O-N 2.92Å; A309-I311 PolarHBondContact O-N 3.39Å; I311-S313 VanDerWaalsContact C-N 3.26Å; I311-S313 PolarHBondContact O-N 2.72Å; I311-G314 CarbonylContact O-C 3.48Å; I311-G314 WeakPolarHBondContact O-CA 3.41Å; I311-G314 PolarHBondContact O-N 2.85Å; I311-I315 HydrophobicContact CG2-CD1 4.07Å; I311-I315 HydrophobicContact CG2-CG1 4.41Å; I311-I315 WeakPolarHBondContact O-CG1 3.27Å; I311-I315 PolarHBondContact O-N 3.29Å |
| 312 | G | 95.4 | Very high | 93.4 | Very high | 14 Ų | 14 | 43 Ų | 43 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y308 A309 T310 G314 I315 V316 | Y308-G312 PolarHBondContact O-N 3.18Å; A309-G312 PolarHBondContact O-N 3.17Å; T310-G312 VanDerWaalsContact C-N 3.31Å; T310-G312 PolarHBondContact O-N 3.05Å; G312-G314 VanDerWaalsContact C-N 3.33Å; G312-G314 PolarHBondContact O-N 2.87Å; G312-I315 PolarHBondContact O-N 2.98Å; G312-V316 WeakPolarHBondContact O-CG2 3.33Å; G312-V316 PolarHBondContact O-N 3.25Å |
| 313 | S | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -36.7 | 173.7 | 78.5 | 0 | 0 | 0 | 0 | 112.6 | A309 T310 I311 V316 N317 | A309-S313 PolarHBondContact O-N 3.43Å; T310-S313 WeakPolarHBondContact O-CB 3.43Å; T310-S313 PolarHBondContact O-N 3.49Å; T310-S313 VanDerWaalsContact O-N 3.14Å; T310-S313 PolarHBondContact O-OG 2.85Å; I311-S313 VanDerWaalsContact C-N 3.26Å; I311-S313 PolarHBondContact O-N 2.72Å; S313-V316 PolarHBondContact O-N 2.75Å; S313-N317 VanDerWaalsContact O-CB 3.32Å; S313-N317 WeakPolarHBondContact O-CB 3.42Å; S313-N317 PolarHBondContact O-N 2.79Å |
| 314 | G | 94 | Very high | 93 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.5 | -33.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q172 T310 I311 G312 N317 T318 | Q172-G314 VanDerWaalsContact OE1-CA 3.3Å; T310-G314 PolarHBondContact O-N 3.41Å; T310-G314 VanDerWaalsContact O-N 3.15Å; I311-G314 CarbonylContact O-C 3.48Å; I311-G314 WeakPolarHBondContact O-CA 3.41Å; I311-G314 PolarHBondContact O-N 2.85Å; G312-G314 VanDerWaalsContact C-N 3.33Å; G312-G314 PolarHBondContact O-N 2.87Å; G314-N317 WeakPolarHBondContact O-CB 3.39Å; G314-N317 PolarHBondContact O-N 2.95Å; G314-T318 PolarHBondContact O-N 2.91Å; G314-T318 PolarHBondContact O-OG1 2.99Å |
| 315 | I | 96.9 | Very high | 92.6 | Very high | 95 Ų | 95 | 37.6 Ų | 37.6 | 49% | 0.487 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.7 | -47.7 | 172.5 | -66.7 | 169.3 | 0 | 0 | 0 | 109.7 | L169 I311 G312 N317 T318 A319 | L169-I315 HydrophobicContact CD1-CG1 3.88Å; L169-I315 HydrophobicContact CD2-CG1 4.41Å; I311-I315 HydrophobicContact CG2-CD1 4.07Å; I311-I315 HydrophobicContact CG2-CG1 4.41Å; I311-I315 WeakPolarHBondContact O-CG1 3.27Å; I311-I315 PolarHBondContact O-N 3.29Å; G312-I315 PolarHBondContact O-N 2.98Å; I315-N317 VanDerWaalsContact C-N 3.31Å; I315-N317 PolarHBondContact O-N 3.32Å; I315-T318 PolarHBondContact O-N 3.26Å; I315-A319 WeakPolarHBondContact O-CB 3.27Å; I315-A319 PolarHBondContact O-N 2.9Å |
| 316 | V | 96.8 | Very high | 92.3 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 15% | 0.145 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | G312 S313 T318 A319 F320 F373 A377 | G312-V316 WeakPolarHBondContact O-CG2 3.33Å; G312-V316 PolarHBondContact O-N 3.25Å; S313-V316 PolarHBondContact O-N 2.75Å; V316-T318 PolarHBondContact O-N 2.95Å; V316-A319 PolarHBondContact O-N 3.32Å; V316-F320 HydrophobicContact CG1-CD2 3.76Å; V316-F320 HydrophobicContact CG1-CE2 4.07Å; V316-F320 WeakPolarHBondContact O-CB 3.5Å; V316-F320 WeakPolarHBondContact O-CD2 3.15Å; V316-F320 PolarHBondContact O-N 2.89Å; V316-F373 WeakPolarHBondContact CG1-O 3.46Å; V316-F373 HydrophobicContact CG2-CB 4.15Å; V316-F373 HydrophobicContact CG2-CD2 3.83Å; V316-F373 HydrophobicContact CG2-CE2 4.4Å; V316-F373 HydrophobicContact CG2-CG 3.93Å; V316-A377 HydrophobicContact CG1-CB 3.84Å |
| 317 | N | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -52.4 | -55.9 | 174.5 | -164.5 | 25.8 | 0 | 0 | 0 | 110.7 | V165 F291 S313 G314 I315 A319 F320 T321 V376 E380 | V165-N317 WeakPolarHBondContact CG1-ND2 3.3Å; F291-N317 WeakPolarHBondContact CZ-ND2 3.4Å; S313-N317 VanDerWaalsContact O-CB 3.32Å; S313-N317 WeakPolarHBondContact O-CB 3.42Å; S313-N317 PolarHBondContact O-N 2.79Å; G314-N317 WeakPolarHBondContact O-CB 3.39Å; G314-N317 PolarHBondContact O-N 2.95Å; I315-N317 VanDerWaalsContact C-N 3.31Å; I315-N317 PolarHBondContact O-N 3.32Å; N317-A319 PolarHBondContact O-N 3.39Å; N317-F320 PolarHBondContact O-N 2.63Å; N317-T321 PolarHBondContact O-N 3.04Å; N317-T321 PolarHBondContact O-OG1 3.43Å; N317-V376 HydrophobicContact CB-CG1 3.57Å; N317-E380 WeakPolarHBondContact OD1-CG 3.35Å; N317-E380 PolarHBondContact OD1-OE1 3.32Å |
| 318 | T | 94.9 | Very high | 91.4 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 15% | 0.153 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | -178.9 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | L162 V165 V166 G314 I315 V316 V322 | L162-T318 HydrophobicContact CD1-CG2 4.44Å; V165-T318 HydrophobicContact CG2-CG2 4.33Å; V166-T318 HydrophobicContact CG2-CG2 4.2Å; G314-T318 PolarHBondContact O-N 2.91Å; G314-T318 PolarHBondContact O-OG1 2.99Å; I315-T318 PolarHBondContact O-N 3.26Å; V316-T318 PolarHBondContact O-N 2.95Å; T318-V322 WeakPolarHBondContact O-CG2 3.45Å; T318-V322 PolarHBondContact O-N 2.81Å |
| 319 | A | 95.9 | Very high | 90.4 | Very high | 48 Ų | 48 | 38.7 Ų | 38.7 | 40% | 0.397 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I315 V316 N317 V322 V323 | I315-A319 WeakPolarHBondContact O-CB 3.27Å; I315-A319 PolarHBondContact O-N 2.9Å; V316-A319 PolarHBondContact O-N 3.32Å; N317-A319 PolarHBondContact O-N 3.39Å; A319-V322 WeakPolarHBondContact O-CB 3.11Å; A319-V322 PolarHBondContact O-N 2.85Å; A319-V323 WeakPolarHBondContact O-CG2 3.31Å; A319-V323 PolarHBondContact O-N 3.33Å |
| 320 | F | 94.5 | Very high | 89.8 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -75.2 | -26.9 | -178.7 | -83.2 | -95.3 | 0 | 0 | 0 | 113.2 | V316 N317 V322 V323 S324 A377 E380 V381 | V316-F320 HydrophobicContact CG1-CD2 3.76Å; V316-F320 HydrophobicContact CG1-CE2 4.07Å; V316-F320 WeakPolarHBondContact O-CB 3.5Å; V316-F320 WeakPolarHBondContact O-CD2 3.15Å; V316-F320 PolarHBondContact O-N 2.89Å; N317-F320 PolarHBondContact O-N 2.63Å; F320-V322 VanDerWaalsContact C-N 3.32Å; F320-V322 PolarHBondContact O-N 3.34Å; F320-V323 PolarHBondContact O-N 2.96Å; F320-S324 VanDerWaalsContact O-CB 3.26Å; F320-S324 WeakPolarHBondContact O-CB 3.23Å; F320-S324 PolarHBondContact O-N 2.97Å; F320-A377 HydrophobicContact CB-CB 4.47Å; F320-A377 HydrophobicContact CD1-CB 3.75Å; F320-A377 HydrophobicContact CD2-CB 3.58Å; F320-A377 HydrophobicContact CE1-CB 3.76Å; F320-A377 HydrophobicContact CE2-CB 3.58Å; F320-A377 HydrophobicContact CG-CB 3.66Å; F320-A377 HydrophobicContact CZ-CB 3.66Å; F320-E380 HydrophobicContact CB-CB 3.87Å; F320-V381 HydrophobicContact CD1-CG2 3.79Å; F320-V381 HydrophobicContact CE1-CG2 4.46Å |
| 321 | T | 91.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 166.1 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | Q161 V165 N317 V323 S324 L325 E380 | Q161-T321 HydrophobicContact CB-CG2 4.46Å; Q161-T321 HydrophobicContact CG-CG2 3.67Å; V165-T321 WeakPolarHBondContact CG1-OG1 3.35Å; V165-T321 HydrophobicContact CG2-CG2 4.09Å; N317-T321 PolarHBondContact O-N 3.04Å; N317-T321 PolarHBondContact O-OG1 3.43Å; T321-V323 PolarHBondContact O-N 3.41Å; T321-S324 WeakPolarHBondContact O-CB 3.37Å; T321-S324 PolarHBondContact O-N 3.04Å; T321-L325 VanDerWaalsContact O-CG 3.29Å; T321-L325 WeakPolarHBondContact O-CG 3.36Å; T321-L325 PolarHBondContact O-N 3.03Å; T321-L325 VanDerWaalsContact O-N 3.16Å; T321-E380 WeakPolarHBondContact CB-OE2 3.44Å; T321-E380 VanDerWaalsContact OG1-CD 3.23Å; T321-E380 PolarHBondContact OG1-OE2 2.96Å |
| 322 | V | 90.8 | Very high | 88.9 | Confident | 58 Ų | 58 | 49.2 Ų | 49.2 | 35% | 0.352 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 178.1 | 174 | 0 | 0 | 0 | 0 | 111.3 | L162 T318 A319 F320 S324 L325 F326 | L162-V322 HydrophobicContact CD1-CG2 4.04Å; T318-V322 WeakPolarHBondContact O-CG2 3.45Å; T318-V322 PolarHBondContact O-N 2.81Å; A319-V322 WeakPolarHBondContact O-CB 3.11Å; A319-V322 PolarHBondContact O-N 2.85Å; F320-V322 VanDerWaalsContact C-N 3.32Å; F320-V322 PolarHBondContact O-N 3.34Å; V322-S324 VanDerWaalsContact C-N 3.33Å; V322-S324 PolarHBondContact O-N 3.4Å; V322-L325 WeakPolarHBondContact O-CB 3.49Å; V322-L325 PolarHBondContact O-N 2.9Å; V322-F326 HydrophobicContact CG1-CE2 3.91Å; V322-F326 WeakPolarHBondContact O-CD2 3.49Å |
| 323 | V | 90.5 | Very high | 88.6 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 111 | A319 F320 T321 L325 F326 V327 | A319-V323 WeakPolarHBondContact O-CG2 3.31Å; A319-V323 PolarHBondContact O-N 3.33Å; F320-V323 PolarHBondContact O-N 2.96Å; T321-V323 PolarHBondContact O-N 3.41Å; V323-L325 PolarHBondContact O-N 3.49Å; V323-F326 PolarHBondContact O-N 3.37Å; V323-V327 HydrophobicContact CG1-CG2 3.93Å; V323-V327 WeakPolarHBondContact O-CG2 3.4Å; V323-V327 PolarHBondContact O-N 3.37Å; V323-V327 VanDerWaalsContact O-N 3.12Å |
| 324 | S | 86.2 | Confident | 88.5 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.7 | -34.9 | -179.7 | -165.2 | 0 | 0 | 0 | 0 | 112.1 | F320 T321 V322 F326 V327 V328 E380 P385 | F320-S324 VanDerWaalsContact O-CB 3.26Å; F320-S324 WeakPolarHBondContact O-CB 3.23Å; F320-S324 PolarHBondContact O-N 2.97Å; T321-S324 WeakPolarHBondContact O-CB 3.37Å; T321-S324 PolarHBondContact O-N 3.04Å; V322-S324 VanDerWaalsContact C-N 3.33Å; V322-S324 PolarHBondContact O-N 3.4Å; S324-F326 VanDerWaalsContact C-N 3.28Å; S324-F326 PolarHBondContact O-N 2.73Å; S324-V327 PolarHBondContact O-N 3.17Å; S324-V327 VanDerWaalsContact O-N 3.17Å; S324-V328 WeakPolarHBondContact O-CB 3.39Å; S324-V328 WeakPolarHBondContact O-CG1 3.44Å; S324-V328 PolarHBondContact O-N 2.74Å; S324-E380 WeakPolarHBondContact CB-O 3.29Å; S324-E380 PolarHBondContact OG-O 3.48Å; S324-P385 WeakPolarHBondContact OG-CG 3.49Å |
| 325 | L | 81 | Confident | 88.5 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56 | -41.2 | 175.3 | -53.8 | -171.2 | 0 | 0 | 0 | 112.7 | T158 T321 V322 V323 | T158-L325 VanDerWaalsContact CB-CD2 3.42Å; T158-L325 HydrophobicContact CG2-CD2 3.75Å; T321-L325 VanDerWaalsContact O-CG 3.29Å; T321-L325 WeakPolarHBondContact O-CG 3.36Å; T321-L325 PolarHBondContact O-N 3.03Å; T321-L325 VanDerWaalsContact O-N 3.16Å; V322-L325 WeakPolarHBondContact O-CB 3.49Å; V322-L325 PolarHBondContact O-N 2.9Å; V323-L325 PolarHBondContact O-N 3.49Å |
| 326 | F | 83.1 | Confident | 88.3 | Confident | 128 Ų | 128 | 52.6 Ų | 52.6 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -83.2 | -26.2 | -179.2 | -60.6 | -70 | 0 | 0 | 0 | 112.6 | V322 V323 S324 R330 | V322-F326 HydrophobicContact CG1-CE2 3.91Å; V322-F326 WeakPolarHBondContact O-CD2 3.49Å; V323-F326 PolarHBondContact O-N 3.37Å; S324-F326 VanDerWaalsContact C-N 3.28Å; S324-F326 PolarHBondContact O-N 2.73Å; F326-R330 WeakPolarHBondContact O-CD 3.23Å; F326-R330 WeakPolarHBondContact O-CG 3.4Å |
| 327 | V | 86.1 | Confident | 88.2 | Confident | 46 Ų | 46 | 51.5 Ų | 51.5 | 28% | 0.279 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -85.4 | -36.5 | -175.4 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | V323 S324 E329 R330 A331 L336 | V323-V327 HydrophobicContact CG1-CG2 3.93Å; V323-V327 WeakPolarHBondContact O-CG2 3.4Å; V323-V327 PolarHBondContact O-N 3.37Å; V323-V327 VanDerWaalsContact O-N 3.12Å; S324-V327 PolarHBondContact O-N 3.17Å; S324-V327 VanDerWaalsContact O-N 3.17Å; V327-E329 PolarHBondContact O-N 3.33Å; V327-R330 PolarHBondContact O-N 3.35Å; V327-A331 HydrophobicContact CG1-CB 4.39Å; V327-A331 PolarHBondContact O-N 2.65Å; V327-L336 HydrophobicContact CG1-CD1 4.02Å; V327-L336 HydrophobicContact CG1-CD2 3.48Å; V327-L336 VanDerWaalsContact CG1-CD2 3.48Å; V327-L336 HydrophobicContact CG1-CG 4.38Å |
| 328 | V | 76.3 | Confident | 88.4 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.8 | -176.5 | 74.8 | 0 | 0 | 0 | 0 | 113.4 | S324 R333 L336 | S324-V328 WeakPolarHBondContact O-CB 3.39Å; S324-V328 WeakPolarHBondContact O-CG1 3.44Å; S324-V328 PolarHBondContact O-N 2.74Å; V328-R333 PolarHBondContact O-NH1 3.07Å; V328-L336 HydrophobicContact CB-CD1 4.39Å; V328-L336 HydrophobicContact CG2-CD1 4.45Å |
| 329 | E | 74.3 | Confident | 88.5 | Confident | 135 Ų | 135 | 55 Ų | 55 | 63% | 0.631 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -23 | 174.4 | -63.7 | -168.2 | 166.5 | 0 | 0 | 112.4 | V327 K456 | V327-E329 PolarHBondContact O-N 3.33Å; E329-K456 VanDerWaalsContact O-CE 3.31Å; E329-K456 WeakPolarHBondContact O-CE 3.2Å; E329-K456 PolarHBondContact O-NZ 3.35Å |
| 330 | R | 81.1 | Confident | 88.6 | Confident | 205 Ų | 205 | 52.8 Ų | 52.8 | 77% | 0.774 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -33.7 | -174.7 | -65.9 | -179.6 | -175.4 | -170.1 | 1.9 | 113.8 | F326 V327 K456 | F326-R330 WeakPolarHBondContact O-CD 3.23Å; F326-R330 WeakPolarHBondContact O-CG 3.4Å; V327-R330 PolarHBondContact O-N 3.35Å; R330-K456 PolarHBondContact O-NZ 2.66Å |
| 331 | A | 86.1 | Confident | 88.7 | Confident | 29 Ų | 29 | 49 Ų | 49 | 24% | 0.24 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -104.5 | 164.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V327 L336 K456 | V327-A331 HydrophobicContact CG1-CB 4.39Å; V327-A331 PolarHBondContact O-N 2.65Å; A331-L336 HydrophobicContact CB-CD1 3.92Å; A331-L336 HydrophobicContact CB-CD2 3.79Å; A331-L336 HydrophobicContact CB-CG 3.72Å; A331-K456 VanDerWaalsContact O-CD 3.29Å; A331-K456 WeakPolarHBondContact O-CD 3.46Å; A331-K456 PolarHBondContact O-NZ 3.19Å; A331-K456 VanDerWaalsContact O-NZ 3.16Å |
| 332 | G | 83.8 | Confident | 89.1 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | trans | -73.2 | 150.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | R334 T335 L336 E454 | G332-R334 VanDerWaalsContact C-N 3.32Å; G332-R334 PolarHBondContact O-N 2.93Å; G332-T335 PolarHBondContact O-N 2.83Å; G332-L336 WeakPolarHBondContact O-CG 3.16Å; G332-L336 PolarHBondContact O-N 3.33Å; G332-E454 VanDerWaalsContact C-OE2 3.28Å; G332-E454 VanDerWaalsContact CA-OE2 3.23Å; G332-E454 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 333 | R | 87.9 | Confident | 89.4 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | -179.3 | -75.1 | 72.8 | 170.1 | 129.2 | 0.1 | 110.3 | V328 H337 I386 I390 E393 E454 | V328-R333 PolarHBondContact O-NH1 3.07Å; R333-H337 WeakPolarHBondContact O-CB 3.29Å; R333-H337 PolarHBondContact O-N 2.7Å; R333-H337 VanDerWaalsContact O-N 3.07Å; R333-I386 HydrophobicContact CB-CG2 4.08Å; R333-I386 HydrophobicContact CG-CG2 4.46Å; R333-I386 WeakPolarHBondContact O-CD1 3.31Å; R333-I390 HydrophobicContact CB-CD1 4.07Å; R333-I390 HydrophobicContact CB-CG1 4.2Å; R333-I390 HydrophobicContact CG-CG1 4.33Å; R333-E393 IonicContact CZ-OE1 3.26Å; R333-E393 IonicContact NE-OE1 2.66Å; R333-E393 PolarHBondContact NE-OE1 3.26Å; R333-E393 IonicContact NE-OE2 3.11Å; R333-E393 PolarHBondContact NE-OE2 2.71Å; R333-E393 IonicContact NH2-OE1 2.82Å; R333-E393 PolarHBondContact NH2-OE1 2.54Å; R333-E454 PolarHBondContact N-OE1 2.95Å; R333-E454 PolarHBondContact N-OE2 3.26Å; R333-E454 VanDerWaalsContact N-OE2 3.11Å |
| 334 | R | 92.2 | Very high | 89.8 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 24% | 0.242 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | -179.6 | 178.7 | -177.2 | 158 | 128.5 | -6.1 | 111.3 | G332 H337 L338 Y449 V452 E454 | G332-R334 VanDerWaalsContact C-N 3.32Å; G332-R334 PolarHBondContact O-N 2.93Å; R334-H337 PolarHBondContact O-N 2.86Å; R334-L338 HydrophobicContact CG-CD1 4.02Å; R334-L338 WeakPolarHBondContact O-CB 3.49Å; R334-L338 VanDerWaalsContact O-CG 3.3Å; R334-L338 WeakPolarHBondContact O-CG 3.48Å; R334-L338 PolarHBondContact O-N 3.31Å; R334-Y449 PolarHBondContact NH1-O 3.1Å; R334-Y449 PolarHBondContact NH2-O 3.44Å; R334-V452 WeakPolarHBondContact CD-O 3.44Å; R334-V452 PolarHBondContact NH1-O 3.18Å; R334-E454 WeakPolarHBondContact CB-OE2 3.37Å; R334-E454 PolarHBondContact N-OE2 3.4Å |
| 335 | T | 93.6 | Very high | 90.4 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 45% | 0.454 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.5 | -48 | -179.6 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | G332 H337 L338 I339 | G332-T335 PolarHBondContact O-N 2.83Å; T335-H337 PolarHBondContact O-N 3.22Å; T335-L338 PolarHBondContact O-N 2.69Å; T335-I339 HydrophobicContact CG2-CD1 3.85Å; T335-I339 VanDerWaalsContact O-CG1 3.3Å; T335-I339 WeakPolarHBondContact O-CG1 3.18Å; T335-I339 PolarHBondContact O-N 3.07Å |
| 336 | L | 93.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | -179.7 | -69.6 | 176.3 | 0 | 0 | 0 | 112.5 | V327 V328 A331 G332 I339 G340 V381 I386 | V327-L336 HydrophobicContact CG1-CD1 4.02Å; V327-L336 HydrophobicContact CG1-CD2 3.48Å; V327-L336 VanDerWaalsContact CG1-CD2 3.48Å; V327-L336 HydrophobicContact CG1-CG 4.38Å; V328-L336 HydrophobicContact CB-CD1 4.39Å; V328-L336 HydrophobicContact CG2-CD1 4.45Å; A331-L336 HydrophobicContact CB-CD1 3.92Å; A331-L336 HydrophobicContact CB-CD2 3.79Å; A331-L336 HydrophobicContact CB-CG 3.72Å; G332-L336 WeakPolarHBondContact O-CG 3.16Å; G332-L336 PolarHBondContact O-N 3.33Å; L336-I339 PolarHBondContact O-N 3.42Å; L336-G340 PolarHBondContact O-N 2.82Å; L336-V381 HydrophobicContact CD2-CG1 4.01Å; L336-I386 HydrophobicContact CB-CD1 3.44Å; L336-I386 VanDerWaalsContact CB-CD1 3.44Å; L336-I386 HydrophobicContact CD1-CD1 4.48Å |
| 337 | H | 95.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.6 | -159 | 73.2 | 0 | 0 | 0 | 111.4 | L278 S281 R333 R334 T335 G340 L341 I386 T448 | L278-H337 WeakPolarHBondContact CD2-NE2 3.43Å; S281-H337 PolarHBondContact OG-CE1 3.5Å; S281-H337 PolarHBondContact OG-NE2 3.14Å; R333-H337 WeakPolarHBondContact O-CB 3.29Å; R333-H337 PolarHBondContact O-N 2.7Å; R333-H337 VanDerWaalsContact O-N 3.07Å; R334-H337 PolarHBondContact O-N 2.86Å; T335-H337 PolarHBondContact O-N 3.22Å; H337-G340 PolarHBondContact O-N 2.79Å; H337-L341 VanDerWaalsContact O-CG 3.3Å; H337-L341 WeakPolarHBondContact O-CG 3.26Å; H337-L341 PolarHBondContact O-N 3.07Å; H337-I386 HydrophobicContact CB-CD1 4.01Å; H337-I386 HydrophobicContact CB-CG2 4.22Å; H337-T448 HydrophobicContact CB-CG2 4.36Å |
| 338 | L | 97.7 | Very high | 92.5 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 176.6 | -72.6 | 169.5 | 0 | 0 | 0 | 112.3 | R334 T335 G340 L341 A342 F445 T448 Y449 | R334-L338 HydrophobicContact CG-CD1 4.02Å; R334-L338 WeakPolarHBondContact O-CB 3.49Å; R334-L338 VanDerWaalsContact O-CG 3.3Å; R334-L338 WeakPolarHBondContact O-CG 3.48Å; R334-L338 PolarHBondContact O-N 3.31Å; T335-L338 PolarHBondContact O-N 2.69Å; L338-G340 VanDerWaalsContact C-N 3.33Å; L338-G340 PolarHBondContact O-N 3.23Å; L338-L341 PolarHBondContact O-N 2.97Å; L338-A342 WeakPolarHBondContact O-CB 3.47Å; L338-A342 PolarHBondContact O-N 2.89Å; L338-F445 HydrophobicContact CB-CD2 4.27Å; L338-F445 HydrophobicContact CB-CE2 3.77Å; L338-F445 HydrophobicContact CB-CZ 4.35Å; L338-F445 HydrophobicContact CD2-CD1 4.08Å; L338-F445 HydrophobicContact CD2-CD2 3.64Å; L338-F445 HydrophobicContact CD2-CE1 4.1Å; L338-F445 HydrophobicContact CD2-CE2 3.67Å; L338-F445 HydrophobicContact CD2-CG 3.85Å; L338-F445 HydrophobicContact CD2-CZ 3.9Å; L338-F445 WeakPolarHBondContact CD2-O 3.41Å; L338-F445 HydrophobicContact CG-CE2 4.31Å; L338-F445 WeakPolarHBondContact O-CD2 3.13Å; L338-F445 VanDerWaalsContact O-CE2 3.29Å; L338-F445 WeakPolarHBondContact O-CE2 3.21Å; L338-T448 HydrophobicContact CD2-CG2 3.79Å; L338-T448 HydrophobicContact CG-CG2 3.86Å; L338-Y449 HydrophobicContact CD1-CD2 4.14Å |
| 339 | I | 97.2 | Very high | 93.5 | Very high | 82 Ų | 82 | 41.6 Ų | 41.6 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 176.7 | -70.1 | 168.2 | 0 | 0 | 0 | 110.4 | T335 L336 A342 G343 F378 | T335-I339 HydrophobicContact CG2-CD1 3.85Å; T335-I339 VanDerWaalsContact O-CG1 3.3Å; T335-I339 WeakPolarHBondContact O-CG1 3.18Å; T335-I339 PolarHBondContact O-N 3.07Å; L336-I339 PolarHBondContact O-N 3.42Å; I339-A342 PolarHBondContact O-N 3.35Å; I339-G343 PolarHBondContact O-N 3.23Å; I339-F378 HydrophobicContact CG2-CD1 4.33Å; I339-F378 HydrophobicContact CG2-CE1 4.18Å |
| 340 | G | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L336 H337 L338 A342 G343 M344 F378 | L336-G340 PolarHBondContact O-N 2.82Å; H337-G340 PolarHBondContact O-N 2.79Å; L338-G340 VanDerWaalsContact C-N 3.33Å; L338-G340 PolarHBondContact O-N 3.23Å; G340-A342 PolarHBondContact O-N 3.2Å; G340-G343 PolarHBondContact O-N 3.48Å; G340-M344 WeakPolarHBondContact O-CB 3.29Å; G340-M344 WeakPolarHBondContact O-CG 3.41Å; G340-M344 PolarHBondContact O-N 3.16Å; G340-F378 VanDerWaalsContact CA-O 3.24Å; G340-F378 WeakPolarHBondContact CA-O 3.48Å |
| 341 | L | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 177.3 | -69 | 175.9 | 0 | 0 | 0 | 112.7 | H337 L338 A345 P383 L441 F444 F445 | H337-L341 VanDerWaalsContact O-CG 3.3Å; H337-L341 WeakPolarHBondContact O-CG 3.26Å; H337-L341 PolarHBondContact O-N 3.07Å; L338-L341 PolarHBondContact O-N 2.97Å; L341-A345 WeakPolarHBondContact O-CB 3.34Å; L341-A345 PolarHBondContact O-N 3.35Å; L341-P383 HydrophobicContact CD2-CG 3.77Å; L341-P383 HydrophobicContact CG-CG 4.03Å; L341-L441 HydrophobicContact CD2-CD2 3.61Å; L341-F444 HydrophobicContact CD1-CB 3.97Å; L341-F444 HydrophobicContact CD2-CB 4.35Å; L341-F445 HydrophobicContact CB-CB 4.4Å; L341-F445 HydrophobicContact CB-CD2 4.21Å; L341-F445 HydrophobicContact CD1-CB 4.42Å |
| 342 | A | 98.4 | Very high | 95.8 | Very high | 49 Ų | 49 | 27.3 Ų | 27.3 | 41% | 0.405 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.1 | -43.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L338 I339 G340 A345 G346 F445 | L338-A342 WeakPolarHBondContact O-CB 3.47Å; L338-A342 PolarHBondContact O-N 2.89Å; I339-A342 PolarHBondContact O-N 3.35Å; G340-A342 PolarHBondContact O-N 3.2Å; A342-A345 PolarHBondContact O-N 3.43Å; A342-G346 PolarHBondContact O-N 3.06Å; A342-F445 HydrophobicContact CB-CD2 4.04Å; A342-F445 HydrophobicContact CB-CE2 3.78Å |
| 343 | G | 98.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 12% | 0.124 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | I339 G340 A345 G346 C347 | I339-G343 PolarHBondContact O-N 3.23Å; G340-G343 PolarHBondContact O-N 3.48Å; G343-A345 VanDerWaalsContact C-N 3.33Å; G343-A345 PolarHBondContact O-N 3.39Å; G343-G346 PolarHBondContact O-N 2.73Å; G343-C347 PolarHBondContact O-N 2.79Å; G343-C347 PolarHBondContact O-SG 3.44Å; G343-C347 VanDerWaalsContact O-SG 3.33Å |
| 344 | M | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -41 | 173.2 | -70 | 179.4 | 80.8 | 0 | 0 | 112.1 | S285 G340 C347 A348 F375 F378 F379 P383 L441 | S285-M344 VanDerWaalsContact CB-CE 3.48Å; G340-M344 WeakPolarHBondContact O-CB 3.29Å; G340-M344 WeakPolarHBondContact O-CG 3.41Å; G340-M344 PolarHBondContact O-N 3.16Å; M344-C347 PolarHBondContact O-N 3.17Å; M344-A348 WeakPolarHBondContact O-CB 3.43Å; M344-A348 PolarHBondContact O-N 2.96Å; M344-F375 HydrophobicContact CB-CD2 3.99Å; M344-F375 HydrophobicContact CB-CE2 3.93Å; M344-F375 HydrophobicContact CE-CD1 3.83Å; M344-F375 HydrophobicContact CE-CD2 4.25Å; M344-F375 HydrophobicContact CE-CE1 3.26Å; M344-F375 HydrophobicContact CE-CE2 3.75Å; M344-F375 HydrophobicContact CE-CG 4.3Å; M344-F375 HydrophobicContact CE-CZ 3.24Å; M344-F375 HydrophobicContact CG-CD2 4.31Å; M344-F375 HydrophobicContact CG-CE2 4.41Å; M344-F375 WeakPolarHBondContact O-CD2 3.42Å; M344-F378 HydrophobicContact CG-CB 3.89Å; M344-F379 HydrophobicContact CE-CB 3.83Å; M344-F379 HydrophobicContact CE-CD2 3.85Å; M344-F379 HydrophobicContact CE-CG 4.29Å; M344-F379 HydrophobicContact CG-CB 4.5Å; M344-F379 HydrophobicContact SD-CB 3.73Å; M344-F379 HydrophobicContact SD-CD2 3.98Å; M344-F379 HydrophobicContact SD-CG 4.38Å; M344-P383 HydrophobicContact SD-CB 4.36Å; M344-P383 HydrophobicContact SD-CG 3.95Å; M344-L441 HydrophobicContact CB-CD1 3.79Å; M344-L441 HydrophobicContact CB-CD2 4.06Å; M344-L441 HydrophobicContact SD-CD2 4.38Å |
| 345 | A | 98.4 | Very high | 96.9 | Very high | 10 Ų | 10 | 27 Ų | 27 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L341 A342 G343 C347 A348 I349 T438 L441 | L341-A345 WeakPolarHBondContact O-CB 3.34Å; L341-A345 PolarHBondContact O-N 3.35Å; A342-A345 PolarHBondContact O-N 3.43Å; G343-A345 VanDerWaalsContact C-N 3.33Å; G343-A345 PolarHBondContact O-N 3.39Å; A345-C347 PolarHBondContact O-N 3.46Å; A345-A348 PolarHBondContact O-N 3.36Å; A345-I349 WeakPolarHBondContact O-CG1 3.48Å; A345-I349 PolarHBondContact O-N 3.07Å; A345-T438 HydrophobicContact CB-CG2 4.41Å; A345-L441 HydrophobicContact CB-CB 4.05Å; A345-L441 HydrophobicContact CB-CD1 4.26Å |
| 346 | G | 98.3 | Very high | 96.9 | Very high | 41 Ų | 41 | 25.2 Ų | 25.2 | 42% | 0.423 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A342 G343 I349 L350 | A342-G346 PolarHBondContact O-N 3.06Å; G343-G346 PolarHBondContact O-N 2.73Å; G346-I349 PolarHBondContact O-N 2.93Å; G346-L350 WeakPolarHBondContact O-CB 3.3Å; G346-L350 PolarHBondContact O-N 2.87Å |
| 347 | C | 98.1 | Very high | 97 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 9% | 0.088 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.4 | -35.8 | 176.4 | -69.2 | 0 | 0 | 0 | 0 | 113.1 | G343 M344 A345 L350 M351 A371 F375 | G343-C347 PolarHBondContact O-N 2.79Å; G343-C347 PolarHBondContact O-SG 3.44Å; G343-C347 VanDerWaalsContact O-SG 3.33Å; M344-C347 PolarHBondContact O-N 3.17Å; A345-C347 PolarHBondContact O-N 3.46Å; C347-L350 PolarHBondContact O-N 3.48Å; C347-M351 PolarHBondContact O-N 2.94Å; C347-A371 WeakPolarHBondContact CB-O 3.43Å; C347-F375 HydrophobicContact CB-CB 3.79Å; C347-F375 HydrophobicContact CB-CD2 4.12Å; C347-F375 HydrophobicContact CB-CG 4.47Å; C347-F375 PolarHBondContact SG-N 2.9Å |
| 348 | A | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.9 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M344 A345 M351 T352 F375 F434 T438 | M344-A348 WeakPolarHBondContact O-CB 3.43Å; M344-A348 PolarHBondContact O-N 2.96Å; A345-A348 PolarHBondContact O-N 3.36Å; A348-M351 PolarHBondContact O-N 3.49Å; A348-T352 PolarHBondContact O-N 3.38Å; A348-T352 PolarHBondContact O-OG1 2.94Å; A348-F375 HydrophobicContact CB-CD2 4.47Å; A348-F375 HydrophobicContact CB-CE2 4.21Å; A348-F434 HydrophobicContact CB-CB 4.3Å; A348-F434 HydrophobicContact CB-CD1 4.47Å; A348-F434 WeakPolarHBondContact O-CB 3.49Å; A348-T438 WeakPolarHBondContact CB-OG1 3.3Å |
| 349 | I | 98.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 37.2 Ų | 37.2 | 43% | 0.426 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 170 | -66.7 | 165 | 0 | 0 | 0 | 109.9 | A345 G346 M351 T352 I353 T438 | A345-I349 WeakPolarHBondContact O-CG1 3.48Å; A345-I349 PolarHBondContact O-N 3.07Å; G346-I349 PolarHBondContact O-N 2.93Å; I349-M351 VanDerWaalsContact C-N 3.3Å; I349-M351 PolarHBondContact O-N 3.47Å; I349-T352 WeakPolarHBondContact O-CB 2.98Å; I349-T352 PolarHBondContact O-N 3.34Å; I349-T352 VanDerWaalsContact O-N 3.09Å; I349-I353 HydrophobicContact CG2-CD1 3.88Å; I349-I353 HydrophobicContact CG2-CG1 4.46Å; I349-I353 WeakPolarHBondContact O-CG1 3.4Å; I349-I353 PolarHBondContact O-N 2.83Å; I349-T438 HydrophobicContact CD1-CG2 3.84Å; I349-T438 HydrophobicContact CG1-CG2 3.68Å |
| 350 | L | 97.3 | Very high | 96.4 | Very high | 56 Ų | 56 | 39 Ų | 39 | 29% | 0.293 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 178.5 | -167.7 | 63.2 | 0 | 0 | 0 | 112.1 | G346 C347 I353 A354 L367 A371 | G346-L350 WeakPolarHBondContact O-CB 3.3Å; G346-L350 PolarHBondContact O-N 2.87Å; C347-L350 PolarHBondContact O-N 3.48Å; L350-I353 PolarHBondContact O-N 2.98Å; L350-A354 WeakPolarHBondContact O-CB 3.43Å; L350-A354 PolarHBondContact O-N 3.29Å; L350-L367 HydrophobicContact CD1-CD1 4Å; L350-L367 HydrophobicContact CD1-CD2 3.83Å; L350-L367 HydrophobicContact CD1-CG 4.06Å; L350-L367 HydrophobicContact CD2-CD1 3.94Å; L350-L367 HydrophobicContact CD2-CG 4.4Å; L350-L367 HydrophobicContact CG-CD1 4.08Å; L350-L367 HydrophobicContact CG-CD2 4.31Å; L350-L367 HydrophobicContact CG-CG 4.05Å; L350-A371 HydrophobicContact CB-CB 4.02Å; L350-A371 HydrophobicContact CD2-CB 3.95Å; L350-A371 HydrophobicContact CG-CB 3.99Å |
| 351 | M | 96.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 172.1 | -90.6 | -45.1 | -55.3 | 0 | 0 | 112.3 | I297 C347 A348 I349 I353 A354 L355 S368 A371 I372 F434 | I297-M351 HydrophobicContact CG2-CE 4.44Å; C347-M351 PolarHBondContact O-N 2.94Å; A348-M351 PolarHBondContact O-N 3.49Å; I349-M351 VanDerWaalsContact C-N 3.3Å; I349-M351 PolarHBondContact O-N 3.47Å; M351-I353 VanDerWaalsContact C-N 3.32Å; M351-I353 PolarHBondContact O-N 2.92Å; M351-A354 PolarHBondContact O-N 3.27Å; M351-L355 HydrophobicContact CE-CD1 3.98Å; M351-L355 HydrophobicContact CE-CD2 4.14Å; M351-L355 HydrophobicContact CE-CG 3.82Å; M351-L355 WeakPolarHBondContact O-CG 3.5Å; M351-L355 PolarHBondContact O-N 3.07Å; M351-S368 WeakPolarHBondContact SD-CA 3.39Å; M351-A371 HydrophobicContact CB-CB 4.42Å; M351-A371 HydrophobicContact CG-CB 3.67Å; M351-A371 HydrophobicContact SD-CB 3.51Å; M351-A371 VanDerWaalsContact SD-CB 3.51Å; M351-I372 HydrophobicContact CG-CD1 3.95Å; M351-I372 HydrophobicContact CG-CG1 4.25Å; M351-I372 HydrophobicContact SD-CD1 4.06Å; M351-I372 HydrophobicContact SD-CG1 3.73Å; M351-F434 HydrophobicContact CB-CB 4.4Å; M351-F434 HydrophobicContact CB-CD1 4.21Å; M351-F434 HydrophobicContact CB-CD2 3.99Å; M351-F434 HydrophobicContact CB-CE2 4.31Å; M351-F434 HydrophobicContact CB-CG 3.94Å; M351-F434 HydrophobicContact CE-CE2 4.34Å; M351-F434 HydrophobicContact CG-CD1 4.44Å; M351-F434 HydrophobicContact CG-CE1 4.32Å; M351-F434 HydrophobicContact CG-CE2 4.46Å; M351-F434 HydrophobicContact CG-CZ 4.32Å |
| 352 | T | 96.4 | Very high | 96 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 8% | 0.08 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 178.4 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | A348 I349 L355 A356 Y432 F434 I435 | A348-T352 PolarHBondContact O-N 3.38Å; A348-T352 PolarHBondContact O-OG1 2.94Å; I349-T352 WeakPolarHBondContact O-CB 2.98Å; I349-T352 PolarHBondContact O-N 3.34Å; I349-T352 VanDerWaalsContact O-N 3.09Å; T352-L355 PolarHBondContact O-N 3.4Å; T352-A356 VanDerWaalsContact O-CB 3.27Å; T352-A356 WeakPolarHBondContact O-CB 3.3Å; T352-A356 PolarHBondContact O-N 3.18Å; T352-Y432 HydrophobicContact CG2-CD1 3.86Å; T352-Y432 HydrophobicContact CG2-CE1 4.45Å; T352-F434 WeakPolarHBondContact OG1-CB 3.45Å; T352-I435 HydrophobicContact CG2-CD1 3.95Å; T352-I435 HydrophobicContact CG2-CG1 3.79Å |
| 353 | I | 96.4 | Very high | 95.8 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 177.3 | -65.1 | 167.2 | 0 | 0 | 0 | 110.5 | I349 L350 M351 L355 A356 L357 | I349-I353 HydrophobicContact CG2-CD1 3.88Å; I349-I353 HydrophobicContact CG2-CG1 4.46Å; I349-I353 WeakPolarHBondContact O-CG1 3.4Å; I349-I353 PolarHBondContact O-N 2.83Å; L350-I353 PolarHBondContact O-N 2.98Å; M351-I353 VanDerWaalsContact C-N 3.32Å; M351-I353 PolarHBondContact O-N 2.92Å; I353-L355 VanDerWaalsContact C-N 3.35Å; I353-L355 PolarHBondContact O-N 2.87Å; I353-A356 PolarHBondContact O-N 3.2Å; I353-L357 HydrophobicContact CG2-CD1 3.73Å; I353-L357 HydrophobicContact CG2-CG 4.37Å; I353-L357 WeakPolarHBondContact O-CB 3.31Å; I353-L357 WeakPolarHBondContact O-CG 3.29Å; I353-L357 PolarHBondContact O-N 3.23Å |
| 354 | A | 95.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L350 M351 L358 M364 L367 | L350-A354 WeakPolarHBondContact O-CB 3.43Å; L350-A354 PolarHBondContact O-N 3.29Å; M351-A354 PolarHBondContact O-N 3.27Å; A354-L358 WeakPolarHBondContact O-CB 3.42Å; A354-L358 PolarHBondContact O-N 3.06Å; A354-M364 WeakPolarHBondContact O-CB 3.39Å; A354-L367 HydrophobicContact CB-CB 4.07Å; A354-L367 HydrophobicContact CB-CD2 4.12Å; A354-L367 HydrophobicContact CB-CG 4.14Å |
| 355 | L | 93.9 | Very high | 95.4 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 178.6 | -68.3 | 176 | 0 | 0 | 0 | 112.4 | A301 M351 T352 I353 L357 L358 P431 F434 | A301-L355 HydrophobicContact CB-CD2 3.69Å; M351-L355 HydrophobicContact CE-CD1 3.98Å; M351-L355 HydrophobicContact CE-CD2 4.14Å; M351-L355 HydrophobicContact CE-CG 3.82Å; M351-L355 WeakPolarHBondContact O-CG 3.5Å; M351-L355 PolarHBondContact O-N 3.07Å; T352-L355 PolarHBondContact O-N 3.4Å; I353-L355 VanDerWaalsContact C-N 3.35Å; I353-L355 PolarHBondContact O-N 2.87Å; L355-L357 VanDerWaalsContact C-N 3.33Å; L355-L357 PolarHBondContact O-N 3.47Å; L355-L358 WeakPolarHBondContact O-CB 3.42Å; L355-L358 PolarHBondContact O-N 3.03Å; L355-P431 HydrophobicContact CB-CB 3.8Å; L355-P431 HydrophobicContact CB-CG 4.5Å; L355-F434 HydrophobicContact CD1-CD2 4.09Å; L355-F434 HydrophobicContact CD1-CE2 4.05Å |
| 356 | A | 94.6 | Very high | 95.3 | Very high | 35 Ų | 35 | 59 Ų | 59 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.1 | -31.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | T352 I353 P431 | T352-A356 VanDerWaalsContact O-CB 3.27Å; T352-A356 WeakPolarHBondContact O-CB 3.3Å; T352-A356 PolarHBondContact O-N 3.18Å; I353-A356 PolarHBondContact O-N 3.2Å; A356-P431 HydrophobicContact CB-CB 4.34Å |
| 357 | L | 94.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 58.9 Ų | 58.9 | 31% | 0.314 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -0.6 | -179.5 | -61.2 | -179.2 | 0 | 0 | 0 | 113.8 | I353 L355 E359 Q360 L361 M364 | I353-L357 HydrophobicContact CG2-CD1 3.73Å; I353-L357 HydrophobicContact CG2-CG 4.37Å; I353-L357 WeakPolarHBondContact O-CB 3.31Å; I353-L357 WeakPolarHBondContact O-CG 3.29Å; I353-L357 PolarHBondContact O-N 3.23Å; L355-L357 VanDerWaalsContact C-N 3.33Å; L355-L357 PolarHBondContact O-N 3.47Å; L357-E359 VanDerWaalsContact C-N 3.34Å; L357-E359 PolarHBondContact O-N 2.9Å; L357-Q360 PolarHBondContact O-N 2.9Å; L357-L361 PolarHBondContact O-N 3.18Å; L357-M364 HydrophobicContact CB-CE 3.94Å; L357-M364 HydrophobicContact CB-CG 4.05Å; L357-M364 HydrophobicContact CB-SD 4.4Å; L357-M364 HydrophobicContact CD1-CE 3.7Å; L357-M364 HydrophobicContact CG-CE 4.49Å |
| 358 | L | 93.6 | Very high | 95 | Very high | 34 Ų | 34 | 58.3 Ų | 58.3 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -41.3 | -175 | -177.2 | 66.7 | 0 | 0 | 0 | 112.9 | A301 A354 L355 Q360 L361 M364 | A301-L358 VanDerWaalsContact O-CD1 3.31Å; A301-L358 WeakPolarHBondContact O-CD1 3.34Å; A301-L358 WeakPolarHBondContact O-CD2 3.2Å; A354-L358 WeakPolarHBondContact O-CB 3.42Å; A354-L358 PolarHBondContact O-N 3.06Å; L355-L358 WeakPolarHBondContact O-CB 3.42Å; L355-L358 PolarHBondContact O-N 3.03Å; L358-Q360 PolarHBondContact O-N 3.36Å; L358-L361 CarbonylContact O-C 3.47Å; L358-L361 PolarHBondContact O-N 3.42Å; L358-M364 HydrophobicContact CD1-CB 4.18Å |
| 359 | E | 91.1 | Very high | 95 | Very high | 185 Ų | 185 | 59.9 Ų | 59.9 | 86% | 0.864 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -30.5 | -179.9 | -68.1 | -171.4 | 168.4 | 0 | 0 | 112.5 | L357 | L357-E359 VanDerWaalsContact C-N 3.34Å; L357-E359 PolarHBondContact O-N 2.9Å |
| 360 | Q | 94.6 | Very high | 94.9 | Very high | 120 Ų | 120 | 60.2 Ų | 60.2 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -30.8 | 178.6 | -53.8 | 105.7 | 34.4 | 0 | 0 | 112.3 | L357 L358 | L357-Q360 PolarHBondContact O-N 2.9Å; L358-Q360 PolarHBondContact O-N 3.36Å |
| 361 | L | 94.8 | Very high | 94.9 | Very high | 64 Ų | 64 | 57.6 Ų | 57.6 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | trans | -133.3 | 95.2 | -170.8 | -63.9 | 172.2 | 0 | 0 | 0 | 109.9 | L357 L358 W363 M364 | L357-L361 PolarHBondContact O-N 3.18Å; L358-L361 CarbonylContact O-C 3.47Å; L358-L361 PolarHBondContact O-N 3.42Å; L361-W363 HydrophobicContact CD1-CZ2 4.11Å; L361-W363 PolarHBondContact O-N 2.98Å; L361-M364 HydrophobicContact CB-CE 4.32Å; L361-M364 HydrophobicContact CB-CG 3.72Å; L361-M364 HydrophobicContact CD1-CE 3.5Å; L361-M364 VanDerWaalsContact CD1-CE 3.5Å; L361-M364 VanDerWaalsContact O-CB 3.26Å; L361-M364 WeakPolarHBondContact O-CB 3.31Å; L361-M364 VanDerWaalsContact O-CG 3.28Å; L361-M364 WeakPolarHBondContact O-CG 3.29Å; L361-M364 PolarHBondContact O-N 3.23Å | ||
| 362 | P | 91.6 | Very high | 94.9 | Very high | 100 Ų | 100 | 57.5 Ų | 57.5 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.7 | -172.9 | 23.4 | -33.6 | 0 | 0 | 0 | 114 | M364 S365 | P362-M364 PolarHBondContact O-N 2.96Å; P362-S365 PolarHBondContact O-OG 3.31Å |
| 363 | W | 93.8 | Very high | 95 | Very high | 141 Ų | 141 | 59.5 Ų | 59.5 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -11.6 | 175.7 | 64.5 | -95.9 | 0 | 0 | 0 | 113.5 | L361 S365 Y366 | L361-W363 HydrophobicContact CD1-CZ2 4.11Å; L361-W363 PolarHBondContact O-N 2.98Å; W363-S365 PolarHBondContact O-N 3.38Å; W363-S365 VanDerWaalsContact O-N 3.15Å; W363-Y366 PolarHBondContact O-N 2.79Å |
| 364 | M | 94.8 | Very high | 95.1 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.054 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -19.5 | 174 | -70.7 | -68.5 | -179.1 | 0 | 0 | 112.8 | A354 L357 L358 L361 P362 Y366 L367 S368 | A354-M364 WeakPolarHBondContact O-CB 3.39Å; L357-M364 HydrophobicContact CB-CE 3.94Å; L357-M364 HydrophobicContact CB-CG 4.05Å; L357-M364 HydrophobicContact CB-SD 4.4Å; L357-M364 HydrophobicContact CD1-CE 3.7Å; L357-M364 HydrophobicContact CG-CE 4.49Å; L358-M364 HydrophobicContact CD1-CB 4.18Å; L361-M364 HydrophobicContact CB-CE 4.32Å; L361-M364 HydrophobicContact CB-CG 3.72Å; L361-M364 HydrophobicContact CD1-CE 3.5Å; L361-M364 VanDerWaalsContact CD1-CE 3.5Å; L361-M364 VanDerWaalsContact O-CB 3.26Å; L361-M364 WeakPolarHBondContact O-CB 3.31Å; L361-M364 VanDerWaalsContact O-CG 3.28Å; L361-M364 WeakPolarHBondContact O-CG 3.29Å; L361-M364 PolarHBondContact O-N 3.23Å; P362-M364 PolarHBondContact O-N 2.96Å; M364-Y366 VanDerWaalsContact C-N 3.27Å; M364-Y366 PolarHBondContact O-N 3.21Å; M364-L367 WeakPolarHBondContact O-CB 3.28Å; M364-L367 PolarHBondContact O-N 2.85Å; M364-L367 HydrophobicContact SD-CB 4.3Å; M364-L367 HydrophobicContact SD-CD2 3.57Å; M364-L367 VanDerWaalsContact SD-CD2 3.57Å; M364-S368 PolarHBondContact O-N 3.21Å |
| 365 | S | 94.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 56.7 Ų | 56.7 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.6 | -42.3 | 167.8 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | A301 P362 W363 S368 I369 | A301-S365 WeakPolarHBondContact O-CA 3.32Å; A301-S365 WeakPolarHBondContact O-CB 2.95Å; P362-S365 PolarHBondContact O-OG 3.31Å; W363-S365 PolarHBondContact O-N 3.38Å; W363-S365 VanDerWaalsContact O-N 3.15Å; S365-S368 WeakPolarHBondContact O-CB 3.4Å; S365-S368 PolarHBondContact O-N 3.02Å; S365-S368 PolarHBondContact O-OG 3.21Å; S365-I369 PolarHBondContact O-N 3.11Å |
| 366 | Y | 94.7 | Very high | 95.3 | Very high | 162 Ų | 162 | 55.3 Ų | 55.3 | 64% | 0.635 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -68.6 | -35.3 | 175.4 | -67.7 | -81.3 | 0 | 0 | 0 | 112.6 | W363 M364 S368 I369 V370 | W363-Y366 PolarHBondContact O-N 2.79Å; M364-Y366 VanDerWaalsContact C-N 3.27Å; M364-Y366 PolarHBondContact O-N 3.21Å; Y366-S368 VanDerWaalsContact C-N 3.26Å; Y366-S368 PolarHBondContact O-N 3.24Å; Y366-I369 WeakPolarHBondContact O-CB 3.39Å; Y366-I369 PolarHBondContact O-N 3.07Å; Y366-V370 PolarHBondContact O-N 3.41Å; Y366-V370 VanDerWaalsContact O-N 3.13Å |
| 367 | L | 96.3 | Very high | 95.4 | Very high | 39 Ų | 39 | 54 Ų | 54 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 176.1 | -169 | 62.5 | 0 | 0 | 0 | 111.2 | L350 A354 M364 I369 V370 A371 | L350-L367 HydrophobicContact CD1-CD1 4Å; L350-L367 HydrophobicContact CD1-CD2 3.83Å; L350-L367 HydrophobicContact CD1-CG 4.06Å; L350-L367 HydrophobicContact CD2-CD1 3.94Å; L350-L367 HydrophobicContact CD2-CG 4.4Å; L350-L367 HydrophobicContact CG-CD1 4.08Å; L350-L367 HydrophobicContact CG-CD2 4.31Å; L350-L367 HydrophobicContact CG-CG 4.05Å; A354-L367 HydrophobicContact CB-CB 4.07Å; A354-L367 HydrophobicContact CB-CD2 4.12Å; A354-L367 HydrophobicContact CB-CG 4.14Å; M364-L367 WeakPolarHBondContact O-CB 3.28Å; M364-L367 PolarHBondContact O-N 2.85Å; M364-L367 HydrophobicContact SD-CB 4.3Å; M364-L367 HydrophobicContact SD-CD2 3.57Å; M364-L367 VanDerWaalsContact SD-CD2 3.57Å; L367-I369 VanDerWaalsContact C-N 3.31Å; L367-I369 PolarHBondContact O-N 2.77Å; L367-V370 PolarHBondContact O-N 3.27Å; L367-A371 VanDerWaalsContact O-CB 3.3Å; L367-A371 WeakPolarHBondContact O-CB 3.47Å; L367-A371 PolarHBondContact O-N 3.1Å |
| 368 | S | 95 | Very high | 95.6 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 174.4 | 83.1 | 0 | 0 | 0 | 0 | 112.4 | A301 M351 M364 S365 Y366 A371 I372 | A301-S368 WeakPolarHBondContact CB-OG 3.45Å; M351-S368 WeakPolarHBondContact SD-CA 3.39Å; M364-S368 PolarHBondContact O-N 3.21Å; S365-S368 WeakPolarHBondContact O-CB 3.4Å; S365-S368 PolarHBondContact O-N 3.02Å; S365-S368 PolarHBondContact O-OG 3.21Å; Y366-S368 VanDerWaalsContact C-N 3.26Å; Y366-S368 PolarHBondContact O-N 3.24Å; S368-A371 PolarHBondContact O-N 3.39Å; S368-I372 WeakPolarHBondContact O-CG1 3.49Å; S368-I372 PolarHBondContact O-N 3.27Å |
| 369 | I | 96.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -49.6 | 176.2 | -59.2 | 172 | 0 | 0 | 0 | 110.2 | F298 V303 A309 S365 Y366 L367 A371 I372 F373 | F298-I369 HydrophobicContact CD1-CG1 4.23Å; F298-I369 HydrophobicContact CE1-CB 4.38Å; F298-I369 HydrophobicContact CE1-CG1 4.03Å; V303-I369 HydrophobicContact CG1-CD1 3.98Å; V303-I369 HydrophobicContact CG2-CD1 4.03Å; V303-I369 HydrophobicContact CG2-CG1 3.9Å; A309-I369 HydrophobicContact CB-CD1 4.3Å; A309-I369 HydrophobicContact CB-CG1 4.21Å; S365-I369 PolarHBondContact O-N 3.11Å; Y366-I369 WeakPolarHBondContact O-CB 3.39Å; Y366-I369 PolarHBondContact O-N 3.07Å; L367-I369 VanDerWaalsContact C-N 3.31Å; L367-I369 PolarHBondContact O-N 2.77Å; I369-A371 VanDerWaalsContact C-N 3.31Å; I369-A371 PolarHBondContact O-N 3.03Å; I369-I372 PolarHBondContact O-N 3.21Å; I369-F373 HydrophobicContact CG2-CD1 4.17Å; I369-F373 HydrophobicContact CG2-CD2 4.25Å; I369-F373 HydrophobicContact CG2-CE1 3.69Å; I369-F373 HydrophobicContact CG2-CE2 3.81Å; I369-F373 HydrophobicContact CG2-CG 4.42Å; I369-F373 HydrophobicContact CG2-CZ 3.49Å; I369-F373 VanDerWaalsContact CG2-CZ 3.49Å; I369-F373 WeakPolarHBondContact O-CB 3.31Å; I369-F373 VanDerWaalsContact O-CD1 3.29Å; I369-F373 WeakPolarHBondContact O-CD1 3.25Å; I369-F373 WeakPolarHBondContact O-CG 3.41Å; I369-F373 PolarHBondContact O-N 3.46Å |
| 370 | V | 97.4 | Very high | 95.8 | Very high | 91 Ų | 91 | 45 Ų | 45 | 55% | 0.552 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.5 | -42.2 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | Y366 L367 F373 G374 | Y366-V370 PolarHBondContact O-N 3.41Å; Y366-V370 VanDerWaalsContact O-N 3.13Å; L367-V370 PolarHBondContact O-N 3.27Å; V370-F373 PolarHBondContact O-N 3.27Å; V370-G374 PolarHBondContact O-N 2.96Å |
| 371 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C347 L350 M351 L367 S368 I369 G374 F375 | C347-A371 WeakPolarHBondContact CB-O 3.43Å; L350-A371 HydrophobicContact CB-CB 4.02Å; L350-A371 HydrophobicContact CD2-CB 3.95Å; L350-A371 HydrophobicContact CG-CB 3.99Å; M351-A371 HydrophobicContact CB-CB 4.42Å; M351-A371 HydrophobicContact CG-CB 3.67Å; M351-A371 HydrophobicContact SD-CB 3.51Å; M351-A371 VanDerWaalsContact SD-CB 3.51Å; L367-A371 VanDerWaalsContact O-CB 3.3Å; L367-A371 WeakPolarHBondContact O-CB 3.47Å; L367-A371 PolarHBondContact O-N 3.1Å; S368-A371 PolarHBondContact O-N 3.39Å; I369-A371 VanDerWaalsContact C-N 3.31Å; I369-A371 PolarHBondContact O-N 3.03Å; A371-G374 PolarHBondContact O-N 2.51Å; A371-F375 VanDerWaalsContact O-CB 3.25Å; A371-F375 WeakPolarHBondContact O-CB 3.49Å; A371-F375 PolarHBondContact O-N 2.83Å |
| 372 | I | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -39.7 | 174.5 | -68 | -63.5 | 0 | 0 | 0 | 111.8 | V290 F298 M351 S368 I369 F375 V376 F434 | V290-I372 HydrophobicContact CG1-CG2 3.6Å; V290-I372 HydrophobicContact CG2-CD1 3.96Å; F298-I372 HydrophobicContact CE1-CB 3.92Å; F298-I372 HydrophobicContact CE1-CG1 3.77Å; F298-I372 HydrophobicContact CE1-CG2 4.34Å; F298-I372 HydrophobicContact CE2-CG2 4.35Å; F298-I372 HydrophobicContact CZ-CB 3.66Å; F298-I372 HydrophobicContact CZ-CG1 3.9Å; F298-I372 HydrophobicContact CZ-CG2 3.61Å; M351-I372 HydrophobicContact CG-CD1 3.95Å; M351-I372 HydrophobicContact CG-CG1 4.25Å; M351-I372 HydrophobicContact SD-CD1 4.06Å; M351-I372 HydrophobicContact SD-CG1 3.73Å; S368-I372 WeakPolarHBondContact O-CG1 3.49Å; S368-I372 PolarHBondContact O-N 3.27Å; I369-I372 PolarHBondContact O-N 3.21Å; I372-F375 WeakPolarHBondContact O-CB 3.16Å; I372-F375 PolarHBondContact O-N 2.99Å; I372-V376 HydrophobicContact CG2-CG2 4.44Å; I372-V376 WeakPolarHBondContact O-CG2 3.33Å; I372-V376 PolarHBondContact O-N 3.36Å; I372-F434 HydrophobicContact CD1-CE1 4.24Å; I372-F434 HydrophobicContact CD1-CZ 4.14Å |
| 373 | F | 97.8 | Very high | 95.6 | Very high | 55 Ų | 55 | 32.5 Ų | 32.5 | 24% | 0.241 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -46.7 | 178 | -75.2 | 13.7 | 0 | 0 | 0 | 111 | A309 V316 I369 V370 F375 V376 A377 | A309-F373 VanDerWaalsContact O-CE1 3.3Å; A309-F373 WeakPolarHBondContact O-CE1 3.38Å; V316-F373 WeakPolarHBondContact CG1-O 3.46Å; V316-F373 HydrophobicContact CG2-CB 4.15Å; V316-F373 HydrophobicContact CG2-CD2 3.83Å; V316-F373 HydrophobicContact CG2-CE2 4.4Å; V316-F373 HydrophobicContact CG2-CG 3.93Å; I369-F373 HydrophobicContact CG2-CD1 4.17Å; I369-F373 HydrophobicContact CG2-CD2 4.25Å; I369-F373 HydrophobicContact CG2-CE1 3.69Å; I369-F373 HydrophobicContact CG2-CE2 3.81Å; I369-F373 HydrophobicContact CG2-CG 4.42Å; I369-F373 HydrophobicContact CG2-CZ 3.49Å; I369-F373 VanDerWaalsContact CG2-CZ 3.49Å; I369-F373 WeakPolarHBondContact O-CB 3.31Å; I369-F373 VanDerWaalsContact O-CD1 3.29Å; I369-F373 WeakPolarHBondContact O-CD1 3.25Å; I369-F373 WeakPolarHBondContact O-CG 3.41Å; I369-F373 PolarHBondContact O-N 3.46Å; V370-F373 PolarHBondContact O-N 3.27Å; F373-F375 VanDerWaalsContact C-N 3.31Å; F373-F375 PolarHBondContact O-N 2.9Å; F373-V376 PolarHBondContact O-N 3.49Å; F373-A377 WeakPolarHBondContact O-CB 3.36Å; F373-A377 PolarHBondContact O-N 2.68Å |
| 374 | G | 97.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 25.9 Ų | 25.9 | 20% | 0.196 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V370 A371 V376 A377 F378 | V370-G374 PolarHBondContact O-N 2.96Å; A371-G374 PolarHBondContact O-N 2.51Å; G374-V376 PolarHBondContact O-N 3.28Å; G374-A377 WeakPolarHBondContact O-CB 3.38Å; G374-A377 PolarHBondContact O-N 2.98Å; G374-F378 WeakPolarHBondContact O-CD2 3.23Å; G374-F378 PolarHBondContact O-N 3.43Å |
| 375 | F | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 178.7 | -172.5 | -88.5 | 0 | 0 | 0 | 112.1 | S285 I287 V290 M344 C347 A348 A371 I372 F373 F379 L441 | S285-F375 VanDerWaalsContact O-CZ 3.29Å; S285-F375 WeakPolarHBondContact O-CZ 3.43Å; I287-F375 HydrophobicContact CB-CE1 4.47Å; I287-F375 HydrophobicContact CD1-CD1 4.06Å; I287-F375 HydrophobicContact CD1-CE1 3.97Å; V290-F375 HydrophobicContact CG2-CD1 4.06Å; V290-F375 HydrophobicContact CG2-CE1 4.03Å; M344-F375 HydrophobicContact CB-CD2 3.99Å; M344-F375 HydrophobicContact CB-CE2 3.93Å; M344-F375 HydrophobicContact CE-CD1 3.83Å; M344-F375 HydrophobicContact CE-CD2 4.25Å; M344-F375 HydrophobicContact CE-CE1 3.26Å; M344-F375 HydrophobicContact CE-CE2 3.75Å; M344-F375 HydrophobicContact CE-CG 4.3Å; M344-F375 HydrophobicContact CE-CZ 3.24Å; M344-F375 HydrophobicContact CG-CD2 4.31Å; M344-F375 HydrophobicContact CG-CE2 4.41Å; M344-F375 WeakPolarHBondContact O-CD2 3.42Å; C347-F375 HydrophobicContact CB-CB 3.79Å; C347-F375 HydrophobicContact CB-CD2 4.12Å; C347-F375 HydrophobicContact CB-CG 4.47Å; C347-F375 PolarHBondContact SG-N 2.9Å; A348-F375 HydrophobicContact CB-CD2 4.47Å; A348-F375 HydrophobicContact CB-CE2 4.21Å; A371-F375 VanDerWaalsContact O-CB 3.25Å; A371-F375 WeakPolarHBondContact O-CB 3.49Å; A371-F375 PolarHBondContact O-N 2.83Å; I372-F375 WeakPolarHBondContact O-CB 3.16Å; I372-F375 PolarHBondContact O-N 2.99Å; F373-F375 VanDerWaalsContact C-N 3.31Å; F373-F375 PolarHBondContact O-N 2.9Å; F375-F379 WeakPolarHBondContact O-CB 3.31Å; F375-F379 PolarHBondContact O-N 3.45Å; F375-F379 VanDerWaalsContact O-N 3.07Å; F375-L441 HydrophobicContact CE2-CD1 4.25Å |
| 376 | V | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.6 | -39.7 | 176.9 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | I287 V290 N317 I372 F373 G374 F379 E380 | I287-V376 HydrophobicContact CD1-CG2 4.04Å; V290-V376 HydrophobicContact CG1-CG2 4.01Å; N317-V376 HydrophobicContact CB-CG1 3.57Å; I372-V376 HydrophobicContact CG2-CG2 4.44Å; I372-V376 WeakPolarHBondContact O-CG2 3.33Å; I372-V376 PolarHBondContact O-N 3.36Å; F373-V376 PolarHBondContact O-N 3.49Å; G374-V376 PolarHBondContact O-N 3.28Å; V376-F379 WeakPolarHBondContact O-CB 3.21Å; V376-F379 PolarHBondContact O-N 3.41Å; V376-E380 PolarHBondContact O-N 3.31Å; V376-E380 VanDerWaalsContact O-N 3.17Å |
| 377 | A | 96.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 7% | 0.066 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.7 | -48.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | V316 F320 F373 G374 F379 E380 V381 | V316-A377 HydrophobicContact CG1-CB 3.84Å; F320-A377 HydrophobicContact CB-CB 4.47Å; F320-A377 HydrophobicContact CD1-CB 3.75Å; F320-A377 HydrophobicContact CD2-CB 3.58Å; F320-A377 HydrophobicContact CE1-CB 3.76Å; F320-A377 HydrophobicContact CE2-CB 3.58Å; F320-A377 HydrophobicContact CG-CB 3.66Å; F320-A377 HydrophobicContact CZ-CB 3.66Å; F373-A377 WeakPolarHBondContact O-CB 3.36Å; F373-A377 PolarHBondContact O-N 2.68Å; G374-A377 WeakPolarHBondContact O-CB 3.38Å; G374-A377 PolarHBondContact O-N 2.98Å; A377-F379 VanDerWaalsContact C-N 3.31Å; A377-F379 PolarHBondContact O-N 3.35Å; A377-E380 PolarHBondContact O-N 2.94Å; A377-V381 WeakPolarHBondContact O-CG2 3.33Å; A377-V381 PolarHBondContact O-N 2.84Å |
| 378 | F | 97.4 | Very high | 93.7 | Very high | 77 Ų | 77 | 20.3 Ų | 20.3 | 34% | 0.338 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -67.2 | -31.9 | 178.5 | -80.3 | -67.9 | 0 | 0 | 0 | 112.8 | I339 G340 M344 G374 G382 | I339-F378 HydrophobicContact CG2-CD1 4.33Å; I339-F378 HydrophobicContact CG2-CE1 4.18Å; G340-F378 VanDerWaalsContact CA-O 3.24Å; G340-F378 WeakPolarHBondContact CA-O 3.48Å; M344-F378 HydrophobicContact CG-CB 3.89Å; G374-F378 WeakPolarHBondContact O-CD2 3.23Å; G374-F378 PolarHBondContact O-N 3.43Å; F378-G382 PolarHBondContact O-N 3.26Å |
| 379 | F | 96.1 | Very high | 93 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.4 | -51.7 | 172.3 | 174.9 | -98.3 | 0 | 0 | 0 | 111.8 | Q282 I287 M344 F375 V376 A377 V381 G382 P383 G384 | Q282-F379 HydrophobicContact CG-CE2 3.83Å; Q282-F379 HydrophobicContact CG-CZ 3.91Å; I287-F379 HydrophobicContact CB-CD2 3.86Å; I287-F379 HydrophobicContact CB-CE2 3.83Å; I287-F379 HydrophobicContact CB-CG 4.27Å; I287-F379 HydrophobicContact CB-CZ 4.22Å; I287-F379 HydrophobicContact CD1-CB 3.88Å; I287-F379 HydrophobicContact CD1-CD1 3.91Å; I287-F379 HydrophobicContact CD1-CD2 4.16Å; I287-F379 HydrophobicContact CD1-CG 3.7Å; I287-F379 HydrophobicContact CG1-CB 4.45Å; I287-F379 HydrophobicContact CG1-CD1 3.75Å; I287-F379 HydrophobicContact CG1-CD2 3.84Å; I287-F379 HydrophobicContact CG1-CE1 3.87Å; I287-F379 HydrophobicContact CG1-CE2 3.95Å; I287-F379 HydrophobicContact CG1-CG 3.73Å; I287-F379 HydrophobicContact CG1-CZ 3.96Å; I287-F379 HydrophobicContact CG2-CD2 4.14Å; I287-F379 HydrophobicContact CG2-CE2 3.57Å; I287-F379 HydrophobicContact CG2-CZ 3.78Å; M344-F379 HydrophobicContact CE-CB 3.83Å; M344-F379 HydrophobicContact CE-CD2 3.85Å; M344-F379 HydrophobicContact CE-CG 4.29Å; M344-F379 HydrophobicContact CG-CB 4.5Å; M344-F379 HydrophobicContact SD-CB 3.73Å; M344-F379 HydrophobicContact SD-CD2 3.98Å; M344-F379 HydrophobicContact SD-CG 4.38Å; F375-F379 WeakPolarHBondContact O-CB 3.31Å; F375-F379 PolarHBondContact O-N 3.45Å; F375-F379 VanDerWaalsContact O-N 3.07Å; V376-F379 WeakPolarHBondContact O-CB 3.21Å; V376-F379 PolarHBondContact O-N 3.41Å; A377-F379 VanDerWaalsContact C-N 3.31Å; A377-F379 PolarHBondContact O-N 3.35Å; F379-V381 VanDerWaalsContact C-N 3.29Å; F379-V381 PolarHBondContact O-N 2.96Å; F379-G382 CarbonylContact O-C 3.6Å; F379-G382 PolarHBondContact O-N 2.95Å; F379-P383 HydrophobicContact CD2-CB 3.92Å; F379-P383 HydrophobicContact CE2-CB 4.16Å; F379-P383 WeakPolarHBondContact O-CD 3.19Å; F379-G384 PolarHBondContact O-N 2.68Å |
| 380 | E | 93.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.5 | -26.1 | -176.1 | -74.5 | -62.1 | 131.6 | 0 | 0 | 113.6 | Q161 N317 F320 T321 S324 V376 A377 G382 P385 | Q161-E380 PolarHBondContact NE2-OE1 3.46Å; Q161-E380 PolarHBondContact NE2-OE2 2.98Å; N317-E380 WeakPolarHBondContact OD1-CG 3.35Å; N317-E380 PolarHBondContact OD1-OE1 3.32Å; F320-E380 HydrophobicContact CB-CB 3.87Å; T321-E380 WeakPolarHBondContact CB-OE2 3.44Å; T321-E380 VanDerWaalsContact OG1-CD 3.23Å; T321-E380 PolarHBondContact OG1-OE2 2.96Å; S324-E380 WeakPolarHBondContact CB-O 3.29Å; S324-E380 PolarHBondContact OG-O 3.48Å; V376-E380 PolarHBondContact O-N 3.31Å; V376-E380 VanDerWaalsContact O-N 3.17Å; A377-E380 PolarHBondContact O-N 2.94Å; E380-G382 VanDerWaalsContact C-N 3.33Å; E380-P385 WeakPolarHBondContact O-CD 3.41Å; E380-P385 WeakPolarHBondContact O-CG 3.38Å |
| 381 | V | 91.5 | Very high | 91.7 | Very high | 21 Ų | 21 | 18.1 Ų | 18.1 | 13% | 0.127 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -71.1 | -28.4 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 112.4 | F320 L336 A377 F379 | F320-V381 HydrophobicContact CD1-CG2 3.79Å; F320-V381 HydrophobicContact CE1-CG2 4.46Å; L336-V381 HydrophobicContact CD2-CG1 4.01Å; A377-V381 WeakPolarHBondContact O-CG2 3.33Å; A377-V381 PolarHBondContact O-N 2.84Å; F379-V381 VanDerWaalsContact C-N 3.29Å; F379-V381 PolarHBondContact O-N 2.96Å |
| 382 | G | 90.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137 | -82 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F378 F379 E380 G384 P385 I386 | F378-G382 PolarHBondContact O-N 3.26Å; F379-G382 CarbonylContact O-C 3.6Å; F379-G382 PolarHBondContact O-N 2.95Å; E380-G382 VanDerWaalsContact C-N 3.33Å; G382-G384 PolarHBondContact O-N 3.2Å; G382-P385 VanDerWaalsContact O-CD 3.3Å; G382-P385 WeakPolarHBondContact O-CD 3.26Å; G382-I386 VanDerWaalsContact O-CB 3.29Å; G382-I386 WeakPolarHBondContact O-CB 3.38Å; G382-I386 VanDerWaalsContact O-CG1 3.26Å; G382-I386 WeakPolarHBondContact O-CG1 3.16Å; G382-I386 PolarHBondContact O-N 2.9Å; G382-I386 VanDerWaalsContact O-N 3.1Å |
| 383 | P | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -23.3 | -173.2 | -29.5 | 36.1 | 0 | 0 | 0 | 116.8 | Q282 L341 M344 F379 P387 | Q282-P383 WeakPolarHBondContact CG-O 3.06Å; Q282-P383 PolarHBondContact NE2-O 3.33Å; L341-P383 HydrophobicContact CD2-CG 3.77Å; L341-P383 HydrophobicContact CG-CG 4.03Å; M344-P383 HydrophobicContact SD-CB 4.36Å; M344-P383 HydrophobicContact SD-CG 3.95Å; F379-P383 HydrophobicContact CD2-CB 3.92Å; F379-P383 HydrophobicContact CE2-CB 4.16Å; F379-P383 WeakPolarHBondContact O-CD 3.19Å; P383-P387 WeakPolarHBondContact O-CD 3.23Å; P383-P387 VanDerWaalsContact O-CG 3.29Å; P383-P387 WeakPolarHBondContact O-CG 3.14Å |
| 384 | G | 89.4 | Confident | 89.4 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -68.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q282 F379 G382 | Q282-G384 PolarHBondContact NE2-O 2.92Å; F379-G384 PolarHBondContact O-N 2.68Å; G382-G384 PolarHBondContact O-N 3.2Å |
| 385 | P | 84.9 | Confident | 88.6 | Confident | 15 Ų | 15 | 19.1 Ų | 19.1 | 10% | 0.097 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -36 | -174.5 | 22.9 | -30.3 | 0 | 0 | 0 | 114.6 | S324 E380 G382 W388 F389 | S324-P385 WeakPolarHBondContact OG-CG 3.49Å; E380-P385 WeakPolarHBondContact O-CD 3.41Å; E380-P385 WeakPolarHBondContact O-CG 3.38Å; G382-P385 VanDerWaalsContact O-CD 3.3Å; G382-P385 WeakPolarHBondContact O-CD 3.26Å; P385-W388 PolarHBondContact O-N 3.14Å; P385-F389 HydrophobicContact CB-CD2 4.17Å; P385-F389 HydrophobicContact CB-CE2 3.88Å; P385-F389 WeakPolarHBondContact O-CD2 3.3Å; P385-F389 PolarHBondContact O-N 3.37Å |
| 386 | I | 88.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | -163.1 | -65.4 | 177.4 | 0 | 0 | 0 | 114.5 | R333 L336 H337 G382 W388 F389 I390 | R333-I386 HydrophobicContact CB-CG2 4.08Å; R333-I386 HydrophobicContact CG-CG2 4.46Å; R333-I386 WeakPolarHBondContact O-CD1 3.31Å; L336-I386 HydrophobicContact CB-CD1 3.44Å; L336-I386 VanDerWaalsContact CB-CD1 3.44Å; L336-I386 HydrophobicContact CD1-CD1 4.48Å; H337-I386 HydrophobicContact CB-CD1 4.01Å; H337-I386 HydrophobicContact CB-CG2 4.22Å; G382-I386 VanDerWaalsContact O-CB 3.29Å; G382-I386 WeakPolarHBondContact O-CB 3.38Å; G382-I386 VanDerWaalsContact O-CG1 3.26Å; G382-I386 WeakPolarHBondContact O-CG1 3.16Å; G382-I386 PolarHBondContact O-N 2.9Å; G382-I386 VanDerWaalsContact O-N 3.1Å; I386-W388 PolarHBondContact O-N 3.22Å; I386-W388 VanDerWaalsContact O-N 3.17Å; I386-F389 PolarHBondContact O-N 3.32Å; I386-F389 VanDerWaalsContact O-N 3.1Å; I386-I390 HydrophobicContact CG2-CD1 3.33Å; I386-I390 HydrophobicContact CG2-CG1 3.73Å; I386-I390 PolarHBondContact O-N 2.9Å |
| 387 | P | 89.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.2 | -35.3 | 178.3 | -31 | 39.7 | 0 | 0 | 0 | 113.5 | L278 Q282 P383 V391 | L278-P387 HydrophobicContact CB-CB 4.06Å; L278-P387 HydrophobicContact CB-CG 4.28Å; Q282-P387 HydrophobicContact CB-CG 4.21Å; P383-P387 WeakPolarHBondContact O-CD 3.23Å; P383-P387 VanDerWaalsContact O-CG 3.29Å; P383-P387 WeakPolarHBondContact O-CG 3.14Å; P387-V391 WeakPolarHBondContact O-CG2 3.36Å; P387-V391 PolarHBondContact O-N 3Å |
| 388 | W | 83 | Confident | 85.7 | Confident | 93 Ų | 93 | 22.5 Ų | 22.5 | 35% | 0.352 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -73.3 | -39.1 | 178.1 | -64.4 | 109.1 | 0 | 0 | 0 | 112.7 | P385 I386 N411 | P385-W388 PolarHBondContact O-N 3.14Å; I386-W388 PolarHBondContact O-N 3.22Å; I386-W388 VanDerWaalsContact O-N 3.17Å; W388-N411 HydrophobicContact CH2-CB 4.31Å; W388-N411 HydrophobicContact CZ2-CB 4.32Å |
| 389 | F | 79.7 | Confident | 85 | Confident | 75 Ų | 75 | 19 Ų | 19 | 33% | 0.329 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -67.5 | -47.7 | 175.6 | -73.2 | -65.6 | 0 | 0 | 0 | 112.1 | P385 I386 V391 A392 E393 | P385-F389 HydrophobicContact CB-CD2 4.17Å; P385-F389 HydrophobicContact CB-CE2 3.88Å; P385-F389 WeakPolarHBondContact O-CD2 3.3Å; P385-F389 PolarHBondContact O-N 3.37Å; I386-F389 PolarHBondContact O-N 3.32Å; I386-F389 VanDerWaalsContact O-N 3.1Å; F389-V391 VanDerWaalsContact C-N 3.31Å; F389-V391 PolarHBondContact O-N 3.1Å; F389-A392 PolarHBondContact O-N 3.17Å; F389-E393 WeakPolarHBondContact O-CG 3.35Å; F389-E393 PolarHBondContact O-N 3.35Å |
| 390 | I | 83.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62 | -38.8 | -176.1 | -71.3 | -177.3 | 0 | 0 | 0 | 111.2 | I274 L278 R333 I386 A392 E393 L394 V452 | I274-I390 HydrophobicContact CG2-CG2 4.42Å; L278-I390 HydrophobicContact CD1-CB 3.94Å; L278-I390 HydrophobicContact CD1-CD1 3.7Å; L278-I390 HydrophobicContact CD1-CG1 4.41Å; L278-I390 HydrophobicContact CD1-CG2 3.57Å; R333-I390 HydrophobicContact CB-CD1 4.07Å; R333-I390 HydrophobicContact CB-CG1 4.2Å; R333-I390 HydrophobicContact CG-CG1 4.33Å; I386-I390 HydrophobicContact CG2-CD1 3.33Å; I386-I390 HydrophobicContact CG2-CG1 3.73Å; I386-I390 PolarHBondContact O-N 2.9Å; I390-A392 VanDerWaalsContact C-N 3.27Å; I390-A392 PolarHBondContact O-N 3.34Å; I390-E393 CarbonylContact O-C 3.59Å; I390-E393 PolarHBondContact O-N 2.91Å; I390-E393 VanDerWaalsContact O-N 3.14Å; I390-L394 HydrophobicContact CG2-CD1 3.42Å; I390-L394 VanDerWaalsContact CG2-CD1 3.42Å; I390-L394 HydrophobicContact CG2-CD2 4.46Å; I390-L394 HydrophobicContact CG2-CG 3.65Å; I390-L394 WeakPolarHBondContact O-CB 3.33Å; I390-L394 VanDerWaalsContact O-CG 3.23Å; I390-L394 WeakPolarHBondContact O-CG 3.48Å; I390-L394 PolarHBondContact O-N 3.41Å; I390-V452 HydrophobicContact CD1-CG1 4.12Å |
| 391 | V | 83.2 | Confident | 83.8 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | A275 P387 F389 F395 A403 I404 A407 | A275-V391 HydrophobicContact CB-CG2 3.77Å; P387-V391 WeakPolarHBondContact O-CG2 3.36Å; P387-V391 PolarHBondContact O-N 3Å; F389-V391 VanDerWaalsContact C-N 3.31Å; F389-V391 PolarHBondContact O-N 3.1Å; V391-F395 WeakPolarHBondContact O-CD2 3.29Å; V391-A403 HydrophobicContact CG1-CB 4.42Å; V391-I404 HydrophobicContact CG1-CG1 3.8Å; V391-A407 HydrophobicContact CG1-CB 4Å; V391-A407 HydrophobicContact CG2-CB 3.8Å |
| 392 | A | 79.2 | Confident | 83.4 | Confident | 38 Ų | 38 | 24.7 Ų | 24.7 | 31% | 0.314 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -73.4 | -30.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F389 I390 R400 F460 | F389-A392 PolarHBondContact O-N 3.17Å; I390-A392 VanDerWaalsContact C-N 3.27Å; I390-A392 PolarHBondContact O-N 3.34Å; A392-R400 PolarHBondContact O-NE 3.42Å; A392-F460 WeakPolarHBondContact O-CE1 3.41Å |
| 393 | E | 82.4 | Confident | 83.3 | Confident | 40 Ų | 40 | 24.7 Ų | 24.7 | 19% | 0.187 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -82.8 | -24 | 180 | -68.3 | 176.3 | 174 | 0 | 0 | 113.2 | R333 F389 I390 T455 F460 I463 | R333-E393 IonicContact CZ-OE1 3.26Å; R333-E393 IonicContact NE-OE1 2.66Å; R333-E393 PolarHBondContact NE-OE1 3.26Å; R333-E393 IonicContact NE-OE2 3.11Å; R333-E393 PolarHBondContact NE-OE2 2.71Å; R333-E393 IonicContact NH2-OE1 2.82Å; R333-E393 PolarHBondContact NH2-OE1 2.54Å; F389-E393 WeakPolarHBondContact O-CG 3.35Å; F389-E393 PolarHBondContact O-N 3.35Å; I390-E393 CarbonylContact O-C 3.59Å; I390-E393 PolarHBondContact O-N 2.91Å; I390-E393 VanDerWaalsContact O-N 3.14Å; E393-T455 HydrophobicContact CB-CG2 4.3Å; E393-T455 WeakPolarHBondContact OE2-CB 3.35Å; E393-T455 PolarHBondContact OE2-OG1 3.47Å; E393-F460 WeakPolarHBondContact O-CD1 3.31Å; E393-F460 VanDerWaalsContact O-CE1 3.26Å; E393-F460 WeakPolarHBondContact O-CE1 3.48Å; E393-I463 WeakPolarHBondContact O-CD1 3.24Å |
| 394 | L | 82.9 | Confident | 82.9 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 7% | 0.073 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -81.4 | -21.5 | -179.8 | -77.3 | 176.7 | 0 | 0 | 0 | 114.7 | P271 I274 I390 P453 T455 I463 F467 | P271-L394 HydrophobicContact CB-CB 4.45Å; I274-L394 HydrophobicContact CB-CD1 4.05Å; I274-L394 HydrophobicContact CG2-CD1 3.67Å; I390-L394 HydrophobicContact CG2-CD1 3.42Å; I390-L394 VanDerWaalsContact CG2-CD1 3.42Å; I390-L394 HydrophobicContact CG2-CD2 4.46Å; I390-L394 HydrophobicContact CG2-CG 3.65Å; I390-L394 WeakPolarHBondContact O-CB 3.33Å; I390-L394 VanDerWaalsContact O-CG 3.23Å; I390-L394 WeakPolarHBondContact O-CG 3.48Å; I390-L394 PolarHBondContact O-N 3.41Å; L394-P453 HydrophobicContact CD2-CG 4.12Å; L394-T455 HydrophobicContact CD2-CG2 4.31Å; L394-I463 HydrophobicContact CD2-CG2 3.89Å; L394-F467 HydrophobicContact CD2-CE2 3.81Å; L394-F467 HydrophobicContact CD2-CZ 3.84Å |
| 395 | F | 80.8 | Confident | 82.7 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -122.1 | 134.9 | -171.3 | -68.7 | -88.5 | 0 | 0 | 0 | 112 | L262 P271 I272 A275 V391 P399 R400 A403 F460 | L262-F395 HydrophobicContact CD1-CE1 4.21Å; L262-F395 HydrophobicContact CG-CE1 4.44Å; P271-F395 HydrophobicContact CB-CE1 3.81Å; P271-F395 HydrophobicContact CB-CE2 3.93Å; P271-F395 HydrophobicContact CB-CZ 3.49Å; P271-F395 VanDerWaalsContact CB-CZ 3.49Å; I272-F395 HydrophobicContact CB-CZ 3.97Å; I272-F395 HydrophobicContact CD1-CZ 4.1Å; A275-F395 HydrophobicContact CB-CE2 4.21Å; V391-F395 WeakPolarHBondContact O-CD2 3.29Å; F395-P399 HydrophobicContact CB-CG 4.31Å; F395-P399 HydrophobicContact CD1-CB 3.95Å; F395-P399 HydrophobicContact CD1-CG 4Å; F395-R400 HydrophobicContact CB-CB 3.93Å; F395-R400 PolarHBondContact O-NE 3.44Å; F395-R400 PolarHBondContact O-NH2 3.47Å; F395-A403 HydrophobicContact CB-CB 4.42Å; F395-A403 HydrophobicContact CD1-CB 3.9Å; F395-A403 HydrophobicContact CD2-CB 3.48Å; F395-A403 VanDerWaalsContact CD2-CB 3.48Å; F395-A403 HydrophobicContact CE1-CB 3.91Å; F395-A403 HydrophobicContact CE2-CB 3.51Å; F395-A403 HydrophobicContact CG-CB 3.67Å; F395-A403 HydrophobicContact CZ-CB 3.69Å; F395-F460 WeakPolarHBondContact O-CE1 3.27Å |
| 396 | S | 78.3 | Confident | 83 | Confident | 31 Ų | 31 | 29 Ų | 29 | 22% | 0.217 | 16% | 0.155 | C | C | . | . | trans | -68.9 | 177.1 | 170.3 | 70.5 | 0 | 0 | 0 | 0 | 111.8 | E254 G398 P399 R400 | E254-S396 VanDerWaalsContact OE2-CB 3.3Å; E254-S396 WeakPolarHBondContact OE2-CB 3.4Å; E254-S396 PolarHBondContact OE2-OG 2.88Å; S396-G398 VanDerWaalsContact C-N 3.34Å; S396-G398 PolarHBondContact O-N 2.86Å; S396-P399 WeakPolarHBondContact O-CD 3.47Å; S396-P399 VanDerWaalsContact OG-CD 3.3Å; S396-P399 WeakPolarHBondContact OG-CD 3.42Å; S396-R400 WeakPolarHBondContact O-CB 3.39Å; S396-R400 PolarHBondContact O-N 3.27Å; S396-R400 VanDerWaalsContact O-N 3.1Å | ||
| 397 | Q | 72.9 | Confident | 83 | Confident | 45 Ų | 45 | 29 Ų | 29 | 21% | 0.21 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -34.3 | -168.4 | -60.8 | -166.3 | 30.4 | 0 | 0 | 114 | E247 E254 P401 | E247-Q397 PolarHBondContact O-OE1 3.08Å; E254-Q397 PolarHBondContact OE2-N 3.02Å; Q397-P401 WeakPolarHBondContact O-CD 3.42Å |
| 398 | G | 78.1 | Confident | 82.9 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -57.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E254 V257 S396 | E254-G398 PolarHBondContact OE2-N 3.11Å; V257-G398 PolarHBondContact N-O 2.69Å; S396-G398 VanDerWaalsContact C-N 3.34Å; S396-G398 PolarHBondContact O-N 2.86Å |
| 399 | P | 82.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -20.6 | -178.3 | 29.2 | -34.2 | 0 | 0 | 0 | 115.5 | V257 L262 Y268 F395 S396 P401 A402 A403 | V257-P399 HydrophobicContact CB-CB 3.95Å; V257-P399 HydrophobicContact CG1-CB 4.47Å; V257-P399 HydrophobicContact CG2-CB 3.88Å; V257-P399 HydrophobicContact CG2-CG 4.48Å; L262-P399 HydrophobicContact CD1-CB 3.72Å; Y268-P399 HydrophobicContact CE1-CB 4.23Å; Y268-P399 HydrophobicContact CE1-CG 3.92Å; F395-P399 HydrophobicContact CB-CG 4.31Å; F395-P399 HydrophobicContact CD1-CB 3.95Å; F395-P399 HydrophobicContact CD1-CG 4Å; S396-P399 WeakPolarHBondContact O-CD 3.47Å; S396-P399 VanDerWaalsContact OG-CD 3.3Å; S396-P399 WeakPolarHBondContact OG-CD 3.42Å; P399-P401 VanDerWaalsContact C-CD 3.49Å; P399-A402 PolarHBondContact O-N 3.44Å; P399-A402 VanDerWaalsContact O-N 3.08Å; P399-A403 PolarHBondContact O-N 3.42Å |
| 400 | R | 81.8 | Confident | 83.7 | Confident | 60 Ų | 60 | 26 Ų | 26 | 23% | 0.226 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -52.7 | -42.9 | -175 | -177.8 | -173.4 | -53.8 | 151.5 | 5.1 | 114.4 | A392 F395 S396 A402 A403 I404 | A392-R400 PolarHBondContact O-NE 3.42Å; F395-R400 HydrophobicContact CB-CB 3.93Å; F395-R400 PolarHBondContact O-NE 3.44Å; F395-R400 PolarHBondContact O-NH2 3.47Å; S396-R400 WeakPolarHBondContact O-CB 3.39Å; S396-R400 PolarHBondContact O-N 3.27Å; S396-R400 VanDerWaalsContact O-N 3.1Å; R400-A402 VanDerWaalsContact C-N 3.35Å; R400-A402 PolarHBondContact O-N 3.19Å; R400-A403 PolarHBondContact O-N 2.83Å; R400-I404 HydrophobicContact CG-CD1 3.74Å; R400-I404 HydrophobicContact CG-CG1 4.25Å; R400-I404 WeakPolarHBondContact O-CG1 3.19Å; R400-I404 PolarHBondContact O-N 2.92Å |
| 401 | P | 82.4 | Confident | 84.1 | Confident | 83 Ų | 83 | 26.3 Ų | 26.3 | 54% | 0.539 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60 | -42.2 | 177.6 | -25 | 35.4 | 0 | 0 | 0 | 113.3 | Q397 P399 A405 | Q397-P401 WeakPolarHBondContact O-CD 3.42Å; P399-P401 VanDerWaalsContact C-CD 3.49Å; P401-A405 PolarHBondContact O-N 2.94Å; P401-A405 VanDerWaalsContact O-N 3.14Å |
| 402 | A | 84.5 | Confident | 84.5 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.6 | -39.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V257 I259 L262 P399 R400 A405 V406 | V257-A402 WeakPolarHBondContact O-CB 3.19Å; I259-A402 HydrophobicContact CG1-CB 4.06Å; L262-A402 HydrophobicContact CD1-CB 4.5Å; L262-A402 HydrophobicContact CD2-CB 4.43Å; P399-A402 PolarHBondContact O-N 3.44Å; P399-A402 VanDerWaalsContact O-N 3.08Å; R400-A402 VanDerWaalsContact C-N 3.35Å; R400-A402 PolarHBondContact O-N 3.19Å; A402-A405 PolarHBondContact O-N 2.82Å; A402-V406 WeakPolarHBondContact O-CG2 3.37Å; A402-V406 PolarHBondContact O-N 2.82Å |
| 403 | A | 87.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L262 I272 V391 F395 P399 R400 A405 V406 A407 | L262-A403 HydrophobicContact CD2-CB 3.95Å; I272-A403 HydrophobicContact CD1-CB 4.32Å; V391-A403 HydrophobicContact CG1-CB 4.42Å; F395-A403 HydrophobicContact CB-CB 4.42Å; F395-A403 HydrophobicContact CD1-CB 3.9Å; F395-A403 HydrophobicContact CD2-CB 3.48Å; F395-A403 VanDerWaalsContact CD2-CB 3.48Å; F395-A403 HydrophobicContact CE1-CB 3.91Å; F395-A403 HydrophobicContact CE2-CB 3.51Å; F395-A403 HydrophobicContact CG-CB 3.67Å; F395-A403 HydrophobicContact CZ-CB 3.69Å; P399-A403 PolarHBondContact O-N 3.42Å; R400-A403 PolarHBondContact O-N 2.83Å; A403-A405 VanDerWaalsContact C-N 3.33Å; A403-A405 PolarHBondContact O-N 2.66Å; A403-V406 PolarHBondContact O-N 3.27Å; A403-A407 VanDerWaalsContact O-CB 3.25Å; A403-A407 WeakPolarHBondContact O-CB 3.44Å; A403-A407 PolarHBondContact O-N 3.42Å |
| 404 | I | 85.9 | Confident | 85.7 | Confident | 76 Ų | 76 | 24.7 Ų | 24.7 | 39% | 0.39 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63 | -40.3 | 175.4 | -69.3 | 171.6 | 0 | 0 | 0 | 110.9 | V391 R400 A407 G408 | V391-I404 HydrophobicContact CG1-CG1 3.8Å; R400-I404 HydrophobicContact CG-CD1 3.74Å; R400-I404 HydrophobicContact CG-CG1 4.25Å; R400-I404 WeakPolarHBondContact O-CG1 3.19Å; R400-I404 PolarHBondContact O-N 2.92Å; I404-A407 PolarHBondContact O-N 3.2Å; I404-G408 PolarHBondContact O-N 3.41Å |
| 405 | A | 85.6 | Confident | 86.1 | Confident | 25 Ų | 25 | 24.3 Ų | 24.3 | 21% | 0.207 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | I259 P401 A402 A403 G408 F409 | I259-A405 HydrophobicContact CD1-CB 4.42Å; P401-A405 PolarHBondContact O-N 2.94Å; P401-A405 VanDerWaalsContact O-N 3.14Å; A402-A405 PolarHBondContact O-N 2.82Å; A403-A405 VanDerWaalsContact C-N 3.33Å; A403-A405 PolarHBondContact O-N 2.66Å; A405-G408 PolarHBondContact O-N 3Å; A405-F409 PolarHBondContact O-N 3.45Å |
| 406 | V | 89.6 | Confident | 86.7 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | 175.8 | 172 | 0 | 0 | 0 | 0 | 111.4 | I259 L262 F263 I272 V276 A402 A403 G408 F409 S410 | I259-V406 HydrophobicContact CB-CG2 4.49Å; I259-V406 HydrophobicContact CG1-CG2 4.28Å; I259-V406 HydrophobicContact CG2-CG2 3.64Å; L262-V406 HydrophobicContact CD2-CG2 4.5Å; F263-V406 HydrophobicContact CE2-CG1 4.36Å; F263-V406 HydrophobicContact CE2-CG2 4.05Å; F263-V406 HydrophobicContact CZ-CG1 3.68Å; F263-V406 HydrophobicContact CZ-CG2 4.2Å; I272-V406 HydrophobicContact CD1-CB 4.02Å; I272-V406 HydrophobicContact CD1-CG1 3.79Å; I272-V406 HydrophobicContact CG1-CG1 4.12Å; V276-V406 HydrophobicContact CG2-CG1 3.8Å; A402-V406 WeakPolarHBondContact O-CG2 3.37Å; A402-V406 PolarHBondContact O-N 2.82Å; A403-V406 PolarHBondContact O-N 3.27Å; V406-G408 VanDerWaalsContact C-N 3.33Å; V406-G408 PolarHBondContact O-N 2.84Å; V406-F409 WeakPolarHBondContact O-CB 3.25Å; V406-F409 PolarHBondContact O-N 3.44Å; V406-S410 PolarHBondContact O-N 2.84Å; V406-S410 PolarHBondContact O-OG 3.11Å |
| 407 | A | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q279 V391 A403 I404 S410 N411 | Q279-A407 HydrophobicContact CG-CB 3.87Å; Q279-A407 WeakPolarHBondContact CG-O 3.34Å; V391-A407 HydrophobicContact CG1-CB 4Å; V391-A407 HydrophobicContact CG2-CB 3.8Å; A403-A407 VanDerWaalsContact O-CB 3.25Å; A403-A407 WeakPolarHBondContact O-CB 3.44Å; A403-A407 PolarHBondContact O-N 3.42Å; I404-A407 PolarHBondContact O-N 3.2Å; A407-S410 PolarHBondContact O-N 3.06Å; A407-N411 WeakPolarHBondContact O-CB 3.46Å; A407-N411 PolarHBondContact O-N 2.88Å |
| 408 | G | 86.8 | Confident | 88.5 | Confident | 5 Ų | 5 | 28 Ų | 28 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I404 A405 V406 S410 N411 W412 | I404-G408 PolarHBondContact O-N 3.41Å; A405-G408 PolarHBondContact O-N 3Å; V406-G408 VanDerWaalsContact C-N 3.33Å; V406-G408 PolarHBondContact O-N 2.84Å; G408-S410 PolarHBondContact O-N 3.18Å; G408-N411 WeakPolarHBondContact O-CB 3.31Å; G408-N411 PolarHBondContact O-N 3.28Å; G408-W412 PolarHBondContact O-N 2.71Å |
| 409 | F | 88.1 | Confident | 88.9 | Confident | 83 Ų | 83 | 27.9 Ų | 27.9 | 36% | 0.364 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -55.6 | -51.8 | 172.8 | -177.6 | -121.1 | 0 | 0 | 0 | 112.3 | M77 F81 A405 V406 N411 W412 T413 | M77-F409 HydrophobicContact CG-CD2 3.56Å; M77-F409 HydrophobicContact CG-CE2 3.83Å; M77-F409 HydrophobicContact SD-CD2 3.68Å; M77-F409 HydrophobicContact SD-CE2 3.33Å; M77-F409 WeakPolarHBondContact SD-CE2 3.33Å; M77-F409 HydrophobicContact SD-CZ 4.39Å; F81-F409 HydrophobicContact CD2-CB 4.48Å; F81-F409 HydrophobicContact CD2-CD2 4.28Å; F81-F409 HydrophobicContact CE2-CB 3.28Å; F81-F409 AromaticContact CE2-CD2 3.24Å; F81-F409 HydrophobicContact CE2-CD2 3.24Å; F81-F409 HydrophobicContact CE2-CE2 4.17Å; F81-F409 AromaticContact CE2-CG 3.46Å; F81-F409 HydrophobicContact CE2-CG 3.46Å; F81-F409 VanDerWaalsContact CE2-CG 3.46Å; F81-F409 HydrophobicContact CZ-CB 3.45Å; F81-F409 VanDerWaalsContact CZ-CB 3.45Å; F81-F409 HydrophobicContact CZ-CD1 4.46Å; F81-F409 AromaticContact CZ-CD2 3.78Å; F81-F409 HydrophobicContact CZ-CD2 3.78Å; F81-F409 AromaticContact CZ-CG 3.63Å; F81-F409 HydrophobicContact CZ-CG 3.63Å; A405-F409 PolarHBondContact O-N 3.45Å; V406-F409 WeakPolarHBondContact O-CB 3.25Å; V406-F409 PolarHBondContact O-N 3.44Å; F409-N411 PolarHBondContact O-N 3.32Å; F409-W412 PolarHBondContact O-N 2.93Å; F409-T413 WeakPolarHBondContact CE2-OG1 3.41Å; F409-T413 VanDerWaalsContact O-CB 3.29Å; F409-T413 WeakPolarHBondContact O-CB 3.43Å; F409-T413 PolarHBondContact O-N 2.9Å; F409-T413 PolarHBondContact O-OG1 3.41Å |
| 410 | S | 91.6 | Very high | 89.2 | Confident | 15 Ų | 15 | 29.6 Ų | 29.6 | 11% | 0.105 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.4 | -38.1 | -177.8 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | V406 A407 G408 S414 | V406-S410 PolarHBondContact O-N 2.84Å; V406-S410 PolarHBondContact O-OG 3.11Å; A407-S410 PolarHBondContact O-N 3.06Å; G408-S410 PolarHBondContact O-N 3.18Å; S410-S414 WeakPolarHBondContact O-CB 3.22Å; S410-S414 PolarHBondContact O-N 3.41Å; S410-S414 PolarHBondContact O-OG 3.28Å |
| 411 | N | 91.8 | Very high | 89.7 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -55.9 | 173.2 | -169.8 | -81.4 | 0 | 0 | 0 | 111.5 | Q279 Q282 Q283 W388 A407 G408 F409 T413 S414 N415 | Q279-N411 HydrophobicContact CB-CB 4.22Å; Q279-N411 PolarHBondContact OE1-ND2 3.28Å; Q282-N411 PolarHBondContact OE1-ND2 3.41Å; Q283-N411 WeakPolarHBondContact CG-O 3.47Å; Q283-N411 PolarHBondContact NE2-ND2 3.06Å; Q283-N411 PolarHBondContact NE2-OD1 3.39Å; W388-N411 HydrophobicContact CH2-CB 4.31Å; W388-N411 HydrophobicContact CZ2-CB 4.32Å; A407-N411 WeakPolarHBondContact O-CB 3.46Å; A407-N411 PolarHBondContact O-N 2.88Å; G408-N411 WeakPolarHBondContact O-CB 3.31Å; G408-N411 PolarHBondContact O-N 3.28Å; F409-N411 PolarHBondContact O-N 3.32Å; N411-T413 PolarHBondContact O-N 3Å; N411-S414 PolarHBondContact O-N 3.38Å; N411-S414 PolarHBondContact O-OG 2.87Å; N411-N415 WeakPolarHBondContact O-CB 3.47Å; N411-N415 PolarHBondContact O-N 3.48Å |
| 412 | W | 91.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 2% | 0.019 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | -178.3 | -75.9 | 113.5 | 0 | 0 | 0 | 113.7 | F26 F72 G76 M77 S80 T137 G408 F409 N415 F416 | F26-W412 HydrophobicContact CD2-CH2 4.39Å; F26-W412 AromaticContact CE2-CH2 3.41Å; F26-W412 HydrophobicContact CE2-CH2 3.41Å; F26-W412 VanDerWaalsContact CE2-CH2 3.41Å; F26-W412 AromaticContact CE2-CZ2 3.56Å; F26-W412 HydrophobicContact CE2-CZ2 3.56Å; F26-W412 HydrophobicContact CZ-CH2 4.06Å; F26-W412 HydrophobicContact CZ-CZ2 4.3Å; F72-W412 HydrophobicContact CD1-CZ3 4.25Å; F72-W412 HydrophobicContact CE1-CH2 4.01Å; F72-W412 AromaticContact CE1-CZ3 3.91Å; F72-W412 HydrophobicContact CE1-CZ3 3.91Å; F72-W412 HydrophobicContact CZ-CH2 4.35Å; G76-W412 PolarHBondContact O-NE1 2.7Å; M77-W412 HydrophobicContact CB-CB 3.88Å; M77-W412 HydrophobicContact CG-CB 4.39Å; S80-W412 VanDerWaalsContact OG-CD1 3.26Å; T137-W412 HydrophobicContact CG2-CZ2 4.37Å; G408-W412 PolarHBondContact O-N 2.71Å; F409-W412 PolarHBondContact O-N 2.93Å; W412-N415 WeakPolarHBondContact O-CB 3.23Å; W412-N415 PolarHBondContact O-N 2.85Å; W412-F416 WeakPolarHBondContact O-CB 3.34Å; W412-F416 PolarHBondContact O-N 2.97Å |
| 413 | T | 92.5 | Very high | 90.3 | Very high | 40 Ų | 40 | 25.8 Ų | 25.8 | 25% | 0.245 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66 | -43.2 | 176.7 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | M77 F409 N411 F416 I417 | M77-T413 PolarHBondContact SD-OG1 3.5Å; F409-T413 WeakPolarHBondContact CE2-OG1 3.41Å; F409-T413 VanDerWaalsContact O-CB 3.29Å; F409-T413 WeakPolarHBondContact O-CB 3.43Å; F409-T413 PolarHBondContact O-N 2.9Å; F409-T413 PolarHBondContact O-OG1 3.41Å; N411-T413 PolarHBondContact O-N 3Å; T413-F416 WeakPolarHBondContact O-CB 3.41Å; T413-F416 PolarHBondContact O-N 3.32Å; T413-I417 HydrophobicContact CG2-CD1 4.34Å; T413-I417 WeakPolarHBondContact O-CG1 3.26Å; T413-I417 PolarHBondContact O-N 3.14Å |
| 414 | S | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.3 | -34.3 | 175.8 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | Q283 S410 N411 I417 V418 | Q283-S414 VanDerWaalsContact CB-OG 3.23Å; Q283-S414 WeakPolarHBondContact CB-OG 3.3Å; Q283-S414 WeakPolarHBondContact CG-OG 3.34Å; S410-S414 WeakPolarHBondContact O-CB 3.22Å; S410-S414 PolarHBondContact O-N 3.41Å; S410-S414 PolarHBondContact O-OG 3.28Å; N411-S414 PolarHBondContact O-N 3.38Å; N411-S414 PolarHBondContact O-OG 2.87Å; S414-I417 PolarHBondContact O-N 2.89Å; S414-V418 WeakPolarHBondContact O-CG2 3.47Å; S414-V418 PolarHBondContact O-N 3.42Å; S414-V418 VanDerWaalsContact O-N 3.08Å |
| 415 | N | 92.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.032 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 169.5 | -176.5 | -47.7 | 0 | 0 | 0 | 111.2 | S73 Q283 N288 Y292 N411 W412 I417 V418 G419 | S73-N415 PolarHBondContact OG-OD1 3.29Å; Q283-N415 HydrophobicContact CG-CB 4.33Å; N288-N415 PolarHBondContact ND2-ND2 3.3Å; Y292-N415 PolarHBondContact OH-ND2 3.14Å; Y292-N415 PolarHBondContact OH-OD1 3.04Å; N411-N415 WeakPolarHBondContact O-CB 3.47Å; N411-N415 PolarHBondContact O-N 3.48Å; W412-N415 WeakPolarHBondContact O-CB 3.23Å; W412-N415 PolarHBondContact O-N 2.85Å; N415-I417 PolarHBondContact O-N 3.38Å; N415-V418 PolarHBondContact O-N 3.03Å; N415-G419 PolarHBondContact O-N 3.49Å |
| 416 | F | 93.8 | Very high | 91.1 | Very high | 70 Ų | 70 | 27.6 Ų | 27.6 | 31% | 0.307 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.6 | -46.2 | 175.2 | 171.7 | -100 | 0 | 0 | 0 | 112.2 | A70 V74 W412 T413 V418 G419 M420 | A70-F416 HydrophobicContact CB-CD2 3.82Å; A70-F416 HydrophobicContact CB-CE2 3.89Å; A70-F416 WeakPolarHBondContact O-CD2 3.31Å; V74-F416 HydrophobicContact CG2-CD2 3.5Å; V74-F416 HydrophobicContact CG2-CE2 3.57Å; V74-F416 HydrophobicContact CG2-CG 4.33Å; V74-F416 HydrophobicContact CG2-CZ 4.45Å; W412-F416 WeakPolarHBondContact O-CB 3.34Å; W412-F416 PolarHBondContact O-N 2.97Å; T413-F416 WeakPolarHBondContact O-CB 3.41Å; T413-F416 PolarHBondContact O-N 3.32Å; F416-V418 PolarHBondContact O-N 3.06Å; F416-G419 PolarHBondContact O-N 3.47Å; F416-M420 HydrophobicContact CE2-CB 4.38Å; F416-M420 HydrophobicContact CZ-CB 4.32Å; F416-M420 HydrophobicContact CZ-CG 4.38Å; F416-M420 VanDerWaalsContact O-CB 3.31Å; F416-M420 WeakPolarHBondContact O-CB 3.41Å; F416-M420 PolarHBondContact O-N 3.14Å |
| 417 | I | 94.3 | Very high | 91 | Very high | 78 Ų | 78 | 32.5 Ų | 32.5 | 40% | 0.4 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.8 | -47.9 | 177.7 | -69.3 | 162.1 | 0 | 0 | 0 | 110.7 | T413 S414 N415 C421 | T413-I417 HydrophobicContact CG2-CD1 4.34Å; T413-I417 WeakPolarHBondContact O-CG1 3.26Å; T413-I417 PolarHBondContact O-N 3.14Å; S414-I417 PolarHBondContact O-N 2.89Å; N415-I417 PolarHBondContact O-N 3.38Å; I417-C421 WeakPolarHBondContact O-CB 3.26Å; I417-C421 PolarHBondContact O-N 2.94Å; I417-C421 PolarHBondContact O-SG 3.4Å; I417-C421 VanDerWaalsContact O-SG 3.35Å |
| 418 | V | 92.8 | Very high | 91.2 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.6 | -48.1 | 178.5 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | L284 N288 A289 S414 N415 F416 M420 F422 | L284-V418 HydrophobicContact CD2-CG2 3.77Å; N288-V418 HydrophobicContact CB-CG1 4.24Å; A289-V418 HydrophobicContact CB-CG1 4.28Å; S414-V418 WeakPolarHBondContact O-CG2 3.47Å; S414-V418 PolarHBondContact O-N 3.42Å; S414-V418 VanDerWaalsContact O-N 3.08Å; N415-V418 PolarHBondContact O-N 3.03Å; F416-V418 PolarHBondContact O-N 3.06Å; V418-M420 VanDerWaalsContact C-N 3.35Å; V418-M420 PolarHBondContact O-N 2.82Å; V418-F422 WeakPolarHBondContact O-CB 3.38Å; V418-F422 PolarHBondContact O-N 3.35Å |
| 419 | G | 87.6 | Confident | 91.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y293 N415 F416 | Y293-G419 PolarHBondContact OH-O 3.32Å; N415-G419 PolarHBondContact O-N 3.49Å; F416-G419 PolarHBondContact O-N 3.47Å |
| 420 | M | 89.5 | Confident | 91.7 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 19% | 0.192 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -79.4 | -41.2 | -178.6 | -170.6 | 65.6 | -169.9 | 0 | 0 | 112.5 | T63 A70 F416 V418 Y424 | T63-M420 HydrophobicContact CG2-CE 4.47Å; A70-M420 HydrophobicContact CB-CB 3.87Å; A70-M420 HydrophobicContact CB-SD 4.18Å; F416-M420 HydrophobicContact CE2-CB 4.38Å; F416-M420 HydrophobicContact CZ-CB 4.32Å; F416-M420 HydrophobicContact CZ-CG 4.38Å; F416-M420 VanDerWaalsContact O-CB 3.31Å; F416-M420 WeakPolarHBondContact O-CB 3.41Å; F416-M420 PolarHBondContact O-N 3.14Å; V418-M420 VanDerWaalsContact C-N 3.35Å; V418-M420 PolarHBondContact O-N 2.82Å; M420-Y424 HydrophobicContact CE-CE2 4.24Å; M420-Y424 WeakPolarHBondContact O-CD2 3.47Å; M420-Y424 VanDerWaalsContact O-CE2 3.24Å; M420-Y424 WeakPolarHBondContact O-CE2 3.31Å |
| 421 | C | 91.6 | Very high | 91.7 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -89.9 | -22.4 | -170.2 | -60.7 | 0 | 0 | 0 | 0 | 113.9 | I417 Q423 Y424 V425 | I417-C421 WeakPolarHBondContact O-CB 3.26Å; I417-C421 PolarHBondContact O-N 2.94Å; I417-C421 PolarHBondContact O-SG 3.4Å; I417-C421 VanDerWaalsContact O-SG 3.35Å; C421-Q423 PolarHBondContact O-N 2.91Å; C421-Y424 PolarHBondContact O-N 3.32Å; C421-V425 WeakPolarHBondContact O-CG2 3.27Å; C421-V425 PolarHBondContact O-N 3.44Å |
| 422 | F | 91.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.4 | -49 | -169.6 | 175.8 | -101.4 | 0 | 0 | 0 | 113.3 | A289 Y293 I297 V418 Y424 V425 E426 V433 F437 | A289-F422 HydrophobicContact CB-CD1 4.12Å; A289-F422 HydrophobicContact CB-CD2 3.51Å; A289-F422 HydrophobicContact CB-CE1 4.16Å; A289-F422 HydrophobicContact CB-CE2 3.56Å; A289-F422 HydrophobicContact CB-CG 3.8Å; A289-F422 HydrophobicContact CB-CZ 3.88Å; Y293-F422 HydrophobicContact CD2-CB 4.45Å; Y293-F422 AromaticContact CD2-CD1 3.27Å; Y293-F422 HydrophobicContact CD2-CD1 3.27Å; Y293-F422 AromaticContact CD2-CE1 3.8Å; Y293-F422 HydrophobicContact CD2-CE1 3.8Å; Y293-F422 HydrophobicContact CD2-CG 4.13Å; Y293-F422 HydrophobicContact CE2-CB 4.12Å; Y293-F422 AromaticContact CE2-CD1 3.71Å; Y293-F422 HydrophobicContact CE2-CD1 3.71Å; Y293-F422 HydrophobicContact CE2-CG 4.29Å; Y293-F422 HydrophobicContact CG-CD1 4.01Å; Y293-F422 HydrophobicContact CG-CE1 4.18Å; I297-F422 HydrophobicContact CD1-CE1 4.19Å; I297-F422 HydrophobicContact CD1-CZ 3.92Å; I297-F422 HydrophobicContact CG1-CE1 4.44Å; I297-F422 HydrophobicContact CG1-CZ 4.31Å; V418-F422 WeakPolarHBondContact O-CB 3.38Å; V418-F422 PolarHBondContact O-N 3.35Å; F422-Y424 VanDerWaalsContact C-N 3.31Å; F422-Y424 PolarHBondContact O-N 3.24Å; F422-V425 PolarHBondContact O-N 2.93Å; F422-E426 HydrophobicContact CE1-CB 4.5Å; F422-E426 VanDerWaalsContact O-CB 3.28Å; F422-E426 WeakPolarHBondContact O-CB 3.43Å; F422-E426 PolarHBondContact O-N 3.3Å; F422-V433 HydrophobicContact CD2-CG2 4.17Å; F422-V433 HydrophobicContact CE2-CG1 4.42Å; F422-V433 HydrophobicContact CE2-CG2 3.7Å; F422-V433 HydrophobicContact CZ-CG2 4.48Å; F422-F437 HydrophobicContact CD2-CE2 4.16Å; F422-F437 AromaticContact CD2-CZ 3.81Å; F422-F437 HydrophobicContact CD2-CZ 3.81Å; F422-F437 AromaticContact CE2-CE2 3.86Å; F422-F437 HydrophobicContact CE2-CE2 3.86Å; F422-F437 HydrophobicContact CE2-CZ 4.01Å |
| 423 | Q | 88.4 | Confident | 92 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -35.5 | -178.7 | -68.9 | -166.3 | -26.4 | 0 | 0 | 112.7 | T62 S66 Y293 C421 E426 Q427 | T62-Q423 HydrophobicContact CG2-CB 3.82Å; S66-Q423 PolarHBondContact OG-OE1 3.06Å; S66-Q423 VanDerWaalsContact OG-OE1 3.09Å; Y293-Q423 HydrophobicContact CD1-CG 4.35Å; Y293-Q423 HydrophobicContact CE1-CG 3.95Å; Y293-Q423 VanDerWaalsContact CE1-NE2 3.31Å; Y293-Q423 HydrophobicContact CE2-CG 4.42Å; C421-Q423 PolarHBondContact O-N 2.91Å; Q423-E426 PolarHBondContact O-N 2.9Å; Q423-Q427 WeakPolarHBondContact O-CG 3.42Å; Q423-Q427 PolarHBondContact O-N 3.37Å |
| 424 | Y | 90.4 | Very high | 92 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 29% | 0.29 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.9 | -44.7 | 175.1 | -62.2 | -74.3 | 0 | 0 | 0 | 112 | T63 M420 C421 F422 E426 Q427 L428 | T63-Y424 VanDerWaalsContact CA-OH 3.27Å; T63-Y424 WeakPolarHBondContact CA-OH 3.49Å; T63-Y424 WeakPolarHBondContact CB-OH 3.21Å; T63-Y424 WeakPolarHBondContact CG2-OH 3.3Å; T63-Y424 PolarHBondContact OG1-OH 3.23Å; M420-Y424 HydrophobicContact CE-CE2 4.24Å; M420-Y424 WeakPolarHBondContact O-CD2 3.47Å; M420-Y424 VanDerWaalsContact O-CE2 3.24Å; M420-Y424 WeakPolarHBondContact O-CE2 3.31Å; C421-Y424 PolarHBondContact O-N 3.32Å; F422-Y424 VanDerWaalsContact C-N 3.31Å; F422-Y424 PolarHBondContact O-N 3.24Å; Y424-E426 VanDerWaalsContact C-N 3.32Å; Y424-Q427 PolarHBondContact O-N 3.31Å; Y424-L428 WeakPolarHBondContact O-CG 3.35Å; Y424-L428 PolarHBondContact O-N 2.97Å |
| 425 | V | 92.4 | Very high | 92.1 | Very high | 45 Ų | 45 | 48.7 Ų | 48.7 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.5 | -35.9 | 178.9 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | C421 F422 L428 C429 V433 I436 | C421-V425 WeakPolarHBondContact O-CG2 3.27Å; C421-V425 PolarHBondContact O-N 3.44Å; F422-V425 PolarHBondContact O-N 2.93Å; V425-L428 PolarHBondContact O-N 2.64Å; V425-C429 VanDerWaalsContact O-CB 3.3Å; V425-C429 WeakPolarHBondContact O-CB 3.46Å; V425-C429 PolarHBondContact O-N 3.21Å; V425-V433 HydrophobicContact CG1-CG2 4.16Å; V425-I436 HydrophobicContact CG1-CD1 3.22Å |
| 426 | E | 91.7 | Very high | 92.3 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 174.5 | -170.5 | -168.8 | -165.4 | 0 | 0 | 111.7 | K300 F422 Q423 Y424 L428 G430 V433 | K300-E426 VanDerWaalsContact CD-OE1 3.32Å; K300-E426 WeakPolarHBondContact CD-OE1 3.46Å; K300-E426 IonicContact NZ-OE1 2.55Å; K300-E426 PolarHBondContact NZ-OE1 3.24Å; K300-E426 IonicContact NZ-OE2 2.83Å; K300-E426 PolarHBondContact NZ-OE2 2.81Å; F422-E426 HydrophobicContact CE1-CB 4.5Å; F422-E426 VanDerWaalsContact O-CB 3.28Å; F422-E426 WeakPolarHBondContact O-CB 3.43Å; F422-E426 PolarHBondContact O-N 3.3Å; Q423-E426 PolarHBondContact O-N 2.9Å; Y424-E426 VanDerWaalsContact C-N 3.32Å; E426-L428 VanDerWaalsContact C-N 3.29Å; E426-L428 PolarHBondContact O-N 3.35Å; E426-G430 WeakPolarHBondContact O-CA 3.47Å; E426-G430 PolarHBondContact O-N 2.73Å; E426-V433 HydrophobicContact CB-CG2 4.38Å |
| 427 | Q | 89.1 | Confident | 92.4 | Very high | 112 Ų | 112 | 49 Ų | 49 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.2 | -33.1 | 175.9 | -72.7 | 175 | 12.7 | 0 | 0 | 112.9 | T62 Q423 Y424 | T62-Q427 PolarHBondContact OG1-NE2 3.02Å; Q423-Q427 WeakPolarHBondContact O-CG 3.42Å; Q423-Q427 PolarHBondContact O-N 3.37Å; Y424-Q427 PolarHBondContact O-N 3.31Å |
| 428 | L | 92.8 | Very high | 92.6 | Very high | 151 Ų | 151 | 46.2 Ų | 46.2 | 79% | 0.791 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -83.3 | -39 | -179.6 | -67.8 | 171.5 | 0 | 0 | 0 | 113.2 | Y424 V425 E426 | Y424-L428 WeakPolarHBondContact O-CG 3.35Å; Y424-L428 PolarHBondContact O-N 2.97Å; V425-L428 PolarHBondContact O-N 2.64Å; E426-L428 VanDerWaalsContact C-N 3.29Å; E426-L428 PolarHBondContact O-N 3.35Å |
| 429 | C | 93.4 | Very high | 92.9 | Very high | 44 Ų | 44 | 49.5 Ų | 49.5 | 30% | 0.297 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -97.7 | -18.7 | -172.8 | -62.9 | 0 | 0 | 0 | 0 | 113.5 | V425 Y432 V433 | V425-C429 VanDerWaalsContact O-CB 3.3Å; V425-C429 WeakPolarHBondContact O-CB 3.46Å; V425-C429 PolarHBondContact O-N 3.21Å; C429-Y432 WeakPolarHBondContact O-CB 3.36Å; C429-Y432 WeakPolarHBondContact O-CD2 3.33Å; C429-Y432 PolarHBondContact O-N 3.38Å; C429-Y432 VanDerWaalsContact O-N 3.07Å; C429-V433 HydrophobicContact CB-CB 4.31Å |
| 430 | G | 92 | Very high | 93.4 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 32% | 0.32 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | 53.1 | -127.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E426 Y432 V433 | E426-G430 WeakPolarHBondContact O-CA 3.47Å; E426-G430 PolarHBondContact O-N 2.73Å; G430-Y432 PolarHBondContact O-N 2.66Å; G430-V433 PolarHBondContact O-N 2.94Å |
| 431 | P | 91.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -55.9 | -24.2 | 178.7 | -26.4 | 35.8 | 0 | 0 | 0 | 114.9 | L355 A356 V433 | L355-P431 HydrophobicContact CB-CB 3.8Å; L355-P431 HydrophobicContact CB-CG 4.5Å; A356-P431 HydrophobicContact CB-CB 4.34Å; P431-V433 VanDerWaalsContact C-N 3.33Å; P431-V433 PolarHBondContact O-N 3.12Å |
| 432 | Y | 95.1 | Very high | 94.1 | Very high | 138 Ų | 138 | 50.4 Ų | 50.4 | 54% | 0.541 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -85.9 | 1 | -173.9 | -55.8 | -62.9 | 0 | 0 | 0 | 114.1 | T352 C429 G430 F434 I435 | T352-Y432 HydrophobicContact CG2-CD1 3.86Å; T352-Y432 HydrophobicContact CG2-CE1 4.45Å; C429-Y432 WeakPolarHBondContact O-CB 3.36Å; C429-Y432 WeakPolarHBondContact O-CD2 3.33Å; C429-Y432 PolarHBondContact O-N 3.38Å; C429-Y432 VanDerWaalsContact O-N 3.07Å; G430-Y432 PolarHBondContact O-N 2.66Å; Y432-F434 PolarHBondContact O-N 2.96Å; Y432-I435 HydrophobicContact CD1-CD1 3.66Å; Y432-I435 HydrophobicContact CG-CD1 4.26Å; Y432-I435 VanDerWaalsContact O-CB 3.3Å; Y432-I435 WeakPolarHBondContact O-CB 3.44Å; Y432-I435 PolarHBondContact O-N 3.4Å |
| 433 | V | 94 | Very high | 94.4 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.1 | -36.4 | -179.8 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | F422 V425 E426 C429 G430 P431 I435 I436 | F422-V433 HydrophobicContact CD2-CG2 4.17Å; F422-V433 HydrophobicContact CE2-CG1 4.42Å; F422-V433 HydrophobicContact CE2-CG2 3.7Å; F422-V433 HydrophobicContact CZ-CG2 4.48Å; V425-V433 HydrophobicContact CG1-CG2 4.16Å; E426-V433 HydrophobicContact CB-CG2 4.38Å; C429-V433 HydrophobicContact CB-CB 4.31Å; G430-V433 PolarHBondContact O-N 2.94Å; P431-V433 VanDerWaalsContact C-N 3.33Å; P431-V433 PolarHBondContact O-N 3.12Å; V433-I435 VanDerWaalsContact C-N 3.27Å; V433-I435 PolarHBondContact O-N 2.85Å; V433-I436 WeakPolarHBondContact O-CB 3.1Å; V433-I436 PolarHBondContact O-N 3.28Å |
| 434 | F | 93.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.5 | -17.6 | 179.4 | -74.2 | -85.9 | 0 | 0 | 0 | 113.7 | I297 A348 M351 T352 L355 I372 Y432 I436 F437 T438 | I297-F434 HydrophobicContact CD1-CZ 4.25Å; I297-F434 HydrophobicContact CG2-CE2 4.37Å; I297-F434 HydrophobicContact CG2-CZ 4.27Å; A348-F434 HydrophobicContact CB-CB 4.3Å; A348-F434 HydrophobicContact CB-CD1 4.47Å; A348-F434 WeakPolarHBondContact O-CB 3.49Å; M351-F434 HydrophobicContact CB-CB 4.4Å; M351-F434 HydrophobicContact CB-CD1 4.21Å; M351-F434 HydrophobicContact CB-CD2 3.99Å; M351-F434 HydrophobicContact CB-CE2 4.31Å; M351-F434 HydrophobicContact CB-CG 3.94Å; M351-F434 HydrophobicContact CE-CE2 4.34Å; M351-F434 HydrophobicContact CG-CD1 4.44Å; M351-F434 HydrophobicContact CG-CE1 4.32Å; M351-F434 HydrophobicContact CG-CE2 4.46Å; M351-F434 HydrophobicContact CG-CZ 4.32Å; T352-F434 WeakPolarHBondContact OG1-CB 3.45Å; L355-F434 HydrophobicContact CD1-CD2 4.09Å; L355-F434 HydrophobicContact CD1-CE2 4.05Å; I372-F434 HydrophobicContact CD1-CE1 4.24Å; I372-F434 HydrophobicContact CD1-CZ 4.14Å; Y432-F434 PolarHBondContact O-N 2.96Å; F434-I436 VanDerWaalsContact C-N 3.25Å; F434-I436 PolarHBondContact O-N 3.19Å; F434-F437 AromaticContact CD1-CD2 3.85Å; F434-F437 HydrophobicContact CD1-CD2 3.85Å; F434-F437 HydrophobicContact CD1-CE2 4.38Å; F434-F437 HydrophobicContact CE1-CD2 4.35Å; F434-F437 HydrophobicContact CG-CD2 4.49Å; F434-F437 PolarHBondContact O-N 2.84Å; F434-T438 PolarHBondContact O-N 3.3Å; F434-T438 PolarHBondContact O-OG1 2.85Å; F434-T438 VanDerWaalsContact O-OG1 3.12Å |
| 435 | I | 96.5 | Very high | 95.3 | Very high | 76 Ų | 76 | 55 Ų | 55 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 173.1 | -60.6 | -175.6 | 0 | 0 | 0 | 110.6 | T352 Y432 V433 F437 T438 V439 | T352-I435 HydrophobicContact CG2-CD1 3.95Å; T352-I435 HydrophobicContact CG2-CG1 3.79Å; Y432-I435 HydrophobicContact CD1-CD1 3.66Å; Y432-I435 HydrophobicContact CG-CD1 4.26Å; Y432-I435 VanDerWaalsContact O-CB 3.3Å; Y432-I435 WeakPolarHBondContact O-CB 3.44Å; Y432-I435 PolarHBondContact O-N 3.4Å; V433-I435 VanDerWaalsContact C-N 3.27Å; V433-I435 PolarHBondContact O-N 2.85Å; I435-F437 VanDerWaalsContact C-N 3.29Å; I435-F437 PolarHBondContact O-N 3.42Å; I435-T438 WeakPolarHBondContact O-CB 3.45Å; I435-T438 PolarHBondContact O-N 3.08Å; I435-T438 VanDerWaalsContact O-N 3.14Å; I435-V439 HydrophobicContact CG2-CG2 4.34Å; I435-V439 WeakPolarHBondContact O-CG2 3.35Å; I435-V439 PolarHBondContact O-N 3.37Å |
| 436 | I | 96.6 | Very high | 95.6 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 35% | 0.349 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 177.4 | -62.4 | 169.6 | 0 | 0 | 0 | 109.7 | V425 V433 F434 V439 L440 | V425-I436 HydrophobicContact CG1-CD1 3.22Å; V433-I436 WeakPolarHBondContact O-CB 3.1Å; V433-I436 PolarHBondContact O-N 3.28Å; F434-I436 VanDerWaalsContact C-N 3.25Å; F434-I436 PolarHBondContact O-N 3.19Å; I436-V439 PolarHBondContact O-N 3.45Å; I436-L440 HydrophobicContact CG2-CD1 4.07Å; I436-L440 VanDerWaalsContact O-CG 3.3Å; I436-L440 WeakPolarHBondContact O-CG 3.42Å; I436-L440 PolarHBondContact O-N 2.96Å |
| 437 | F | 96.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 174.3 | -61.3 | -41.9 | 0 | 0 | 0 | 111.9 | S285 G286 A289 F422 F434 I435 V439 L440 L441 | S285-F437 WeakPolarHBondContact O-CB 3.43Å; G286-F437 VanDerWaalsContact CA-CE1 3.43Å; A289-F437 HydrophobicContact CB-CE2 4.13Å; A289-F437 HydrophobicContact CB-CZ 3.98Å; F422-F437 HydrophobicContact CD2-CE2 4.16Å; F422-F437 AromaticContact CD2-CZ 3.81Å; F422-F437 HydrophobicContact CD2-CZ 3.81Å; F422-F437 AromaticContact CE2-CE2 3.86Å; F422-F437 HydrophobicContact CE2-CE2 3.86Å; F422-F437 HydrophobicContact CE2-CZ 4.01Å; F434-F437 AromaticContact CD1-CD2 3.85Å; F434-F437 HydrophobicContact CD1-CD2 3.85Å; F434-F437 HydrophobicContact CD1-CE2 4.38Å; F434-F437 HydrophobicContact CE1-CD2 4.35Å; F434-F437 HydrophobicContact CG-CD2 4.49Å; F434-F437 PolarHBondContact O-N 2.84Å; I435-F437 VanDerWaalsContact C-N 3.29Å; I435-F437 PolarHBondContact O-N 3.42Å; F437-V439 PolarHBondContact O-N 2.89Å; F437-L440 PolarHBondContact O-N 3.11Å; F437-L441 VanDerWaalsContact O-CB 3.29Å; F437-L441 WeakPolarHBondContact O-CB 3.2Å; F437-L441 WeakPolarHBondContact O-CD1 3.23Å; F437-L441 WeakPolarHBondContact O-CG 3.38Å; F437-L441 PolarHBondContact O-N 2.83Å |
| 438 | T | 98.1 | Very high | 96.2 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.2 | -47.5 | 175 | -57.7 | 0 | 0 | 0 | 0 | 112 | A345 A348 I349 F434 I435 L440 L441 V442 | A345-T438 HydrophobicContact CB-CG2 4.41Å; A348-T438 WeakPolarHBondContact CB-OG1 3.3Å; I349-T438 HydrophobicContact CD1-CG2 3.84Å; I349-T438 HydrophobicContact CG1-CG2 3.68Å; F434-T438 PolarHBondContact O-N 3.3Å; F434-T438 PolarHBondContact O-OG1 2.85Å; F434-T438 VanDerWaalsContact O-OG1 3.12Å; I435-T438 WeakPolarHBondContact O-CB 3.45Å; I435-T438 PolarHBondContact O-N 3.08Å; I435-T438 VanDerWaalsContact O-N 3.14Å; T438-L440 PolarHBondContact O-N 3.25Å; T438-L441 PolarHBondContact O-N 3.37Å; T438-V442 VanDerWaalsContact O-CG2 3.32Å; T438-V442 WeakPolarHBondContact O-CG2 3.32Å; T438-V442 PolarHBondContact O-N 3.36Å |
| 439 | V | 98.3 | Very high | 96.4 | Very high | 80 Ų | 80 | 51 Ų | 51 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | I435 I436 F437 V442 L443 | I435-V439 HydrophobicContact CG2-CG2 4.34Å; I435-V439 WeakPolarHBondContact O-CG2 3.35Å; I435-V439 PolarHBondContact O-N 3.37Å; I436-V439 PolarHBondContact O-N 3.45Å; F437-V439 PolarHBondContact O-N 2.89Å; V439-V442 PolarHBondContact O-N 2.99Å; V439-L443 HydrophobicContact CG1-CD1 4.16Å; V439-L443 VanDerWaalsContact O-CG 3.31Å; V439-L443 WeakPolarHBondContact O-CG 3.38Å; V439-L443 PolarHBondContact O-N 3.1Å |
| 440 | L | 97.9 | Very high | 96.4 | Very high | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 177.9 | -68.8 | 168.4 | 0 | 0 | 0 | 112 | L284 I436 F437 T438 V442 L443 F444 | L284-L440 HydrophobicContact CB-CD1 4.34Å; I436-L440 HydrophobicContact CG2-CD1 4.07Å; I436-L440 VanDerWaalsContact O-CG 3.3Å; I436-L440 WeakPolarHBondContact O-CG 3.42Å; I436-L440 PolarHBondContact O-N 2.96Å; F437-L440 PolarHBondContact O-N 3.11Å; T438-L440 PolarHBondContact O-N 3.25Å; L440-V442 VanDerWaalsContact C-N 3.33Å; L440-V442 PolarHBondContact O-N 2.83Å; L440-L443 WeakPolarHBondContact O-CB 3.26Å; L440-L443 PolarHBondContact O-N 3.28Å; L440-F444 HydrophobicContact CB-CD2 4.45Å; L440-F444 HydrophobicContact CB-CE2 4.07Å; L440-F444 WeakPolarHBondContact O-CD2 3.25Å; L440-F444 WeakPolarHBondContact O-CG 3.38Å; L440-F444 PolarHBondContact O-N 2.9Å |
| 441 | L | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | 177.4 | -73.9 | 165.3 | 0 | 0 | 0 | 111.7 | L341 M344 A345 F375 F437 T438 F444 F445 | L341-L441 HydrophobicContact CD2-CD2 3.61Å; M344-L441 HydrophobicContact CB-CD1 3.79Å; M344-L441 HydrophobicContact CB-CD2 4.06Å; M344-L441 HydrophobicContact SD-CD2 4.38Å; A345-L441 HydrophobicContact CB-CB 4.05Å; A345-L441 HydrophobicContact CB-CD1 4.26Å; F375-L441 HydrophobicContact CE2-CD1 4.25Å; F437-L441 VanDerWaalsContact O-CB 3.29Å; F437-L441 WeakPolarHBondContact O-CB 3.2Å; F437-L441 WeakPolarHBondContact O-CD1 3.23Å; F437-L441 WeakPolarHBondContact O-CG 3.38Å; F437-L441 PolarHBondContact O-N 2.83Å; T438-L441 PolarHBondContact O-N 3.37Å; L441-F444 PolarHBondContact O-N 2.98Å; L441-F445 VanDerWaalsContact O-CB 3.31Å; L441-F445 WeakPolarHBondContact O-CB 3.21Å; L441-F445 PolarHBondContact O-N 3.39Å |
| 442 | V | 98.4 | Very high | 96.5 | Very high | 69 Ų | 69 | 56.8 Ų | 56.8 | 42% | 0.418 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 175 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | T438 V439 L440 F444 F445 I446 | T438-V442 VanDerWaalsContact O-CG2 3.32Å; T438-V442 WeakPolarHBondContact O-CG2 3.32Å; T438-V442 PolarHBondContact O-N 3.36Å; V439-V442 PolarHBondContact O-N 2.99Å; L440-V442 VanDerWaalsContact C-N 3.33Å; L440-V442 PolarHBondContact O-N 2.83Å; V442-F444 PolarHBondContact O-N 3.35Å; V442-F445 WeakPolarHBondContact O-CB 3.25Å; V442-F445 PolarHBondContact O-N 3.08Å; V442-I446 HydrophobicContact CG1-CD1 3.91Å; V442-I446 HydrophobicContact CG1-CG1 4.49Å; V442-I446 VanDerWaalsContact O-CG1 3.31Å; V442-I446 WeakPolarHBondContact O-CG1 3.22Å; V442-I446 PolarHBondContact O-N 3.47Å |
| 443 | L | 98.3 | Very high | 96.2 | Very high | 99 Ų | 99 | 51.7 Ų | 51.7 | 52% | 0.518 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.5 | -69.6 | 171.8 | 0 | 0 | 0 | 111.6 | V439 L440 F445 I446 F447 | V439-L443 HydrophobicContact CG1-CD1 4.16Å; V439-L443 VanDerWaalsContact O-CG 3.31Å; V439-L443 WeakPolarHBondContact O-CG 3.38Å; V439-L443 PolarHBondContact O-N 3.1Å; L440-L443 WeakPolarHBondContact O-CB 3.26Å; L440-L443 PolarHBondContact O-N 3.28Å; L443-F445 VanDerWaalsContact C-N 3.34Å; L443-I446 PolarHBondContact O-N 3.02Å; L443-F447 WeakPolarHBondContact O-CB 3.47Å; L443-F447 PolarHBondContact O-N 3.32Å |
| 444 | F | 98.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.7 | -33.5 | 175.5 | -65.7 | -51.9 | 0 | 0 | 0 | 112.8 | V277 L280 L284 L341 L440 L441 V442 F447 T448 | V277-F444 HydrophobicContact CG1-CD1 3.79Å; V277-F444 HydrophobicContact CG1-CE1 3.98Å; L280-F444 HydrophobicContact CB-CE1 4.02Å; L280-F444 HydrophobicContact CB-CZ 3.93Å; L284-F444 HydrophobicContact CB-CE2 3.88Å; L284-F444 HydrophobicContact CB-CZ 4.14Å; L284-F444 HydrophobicContact CD1-CZ 4.14Å; L341-F444 HydrophobicContact CD1-CB 3.97Å; L341-F444 HydrophobicContact CD2-CB 4.35Å; L440-F444 HydrophobicContact CB-CD2 4.45Å; L440-F444 HydrophobicContact CB-CE2 4.07Å; L440-F444 WeakPolarHBondContact O-CD2 3.25Å; L440-F444 WeakPolarHBondContact O-CG 3.38Å; L440-F444 PolarHBondContact O-N 2.9Å; L441-F444 PolarHBondContact O-N 2.98Å; V442-F444 PolarHBondContact O-N 3.35Å; F444-F447 PolarHBondContact O-N 2.94Å; F444-T448 VanDerWaalsContact O-CB 3.29Å; F444-T448 WeakPolarHBondContact O-CB 3.41Å; F444-T448 PolarHBondContact O-N 3.33Å; F444-T448 PolarHBondContact O-OG1 3.14Å |
| 445 | F | 98.4 | Very high | 95.4 | Very high | 68 Ų | 68 | 53.4 Ų | 53.4 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 174.5 | -176.7 | -79.4 | 0 | 0 | 0 | 110.3 | L338 L341 A342 L441 V442 L443 F447 T448 Y449 | L338-F445 HydrophobicContact CB-CD2 4.27Å; L338-F445 HydrophobicContact CB-CE2 3.77Å; L338-F445 HydrophobicContact CB-CZ 4.35Å; L338-F445 HydrophobicContact CD2-CD1 4.08Å; L338-F445 HydrophobicContact CD2-CD2 3.64Å; L338-F445 HydrophobicContact CD2-CE1 4.1Å; L338-F445 HydrophobicContact CD2-CE2 3.67Å; L338-F445 HydrophobicContact CD2-CG 3.85Å; L338-F445 HydrophobicContact CD2-CZ 3.9Å; L338-F445 WeakPolarHBondContact CD2-O 3.41Å; L338-F445 HydrophobicContact CG-CE2 4.31Å; L338-F445 WeakPolarHBondContact O-CD2 3.13Å; L338-F445 VanDerWaalsContact O-CE2 3.29Å; L338-F445 WeakPolarHBondContact O-CE2 3.21Å; L341-F445 HydrophobicContact CB-CB 4.4Å; L341-F445 HydrophobicContact CB-CD2 4.21Å; L341-F445 HydrophobicContact CD1-CB 4.42Å; A342-F445 HydrophobicContact CB-CD2 4.04Å; A342-F445 HydrophobicContact CB-CE2 3.78Å; L441-F445 VanDerWaalsContact O-CB 3.31Å; L441-F445 WeakPolarHBondContact O-CB 3.21Å; L441-F445 PolarHBondContact O-N 3.39Å; V442-F445 WeakPolarHBondContact O-CB 3.25Å; V442-F445 PolarHBondContact O-N 3.08Å; L443-F445 VanDerWaalsContact C-N 3.34Å; F445-F447 VanDerWaalsContact C-N 3.34Å; F445-F447 PolarHBondContact O-N 3.26Å; F445-T448 PolarHBondContact O-N 3.31Å; F445-Y449 WeakPolarHBondContact O-CB 3.49Å; F445-Y449 PolarHBondContact O-N 3.13Å |
| 446 | I | 98.1 | Very high | 94.4 | Very high | 81 Ų | 81 | 53 Ų | 53 | 42% | 0.415 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58 | -48.2 | 176.5 | -68.8 | 167.5 | 0 | 0 | 0 | 110.1 | V442 L443 T448 Y449 F450 | V442-I446 HydrophobicContact CG1-CD1 3.91Å; V442-I446 HydrophobicContact CG1-CG1 4.49Å; V442-I446 VanDerWaalsContact O-CG1 3.31Å; V442-I446 WeakPolarHBondContact O-CG1 3.22Å; V442-I446 PolarHBondContact O-N 3.47Å; L443-I446 PolarHBondContact O-N 3.02Å; I446-T448 VanDerWaalsContact C-N 3.34Å; I446-T448 PolarHBondContact O-N 3.45Å; I446-Y449 PolarHBondContact O-N 2.83Å; I446-F450 HydrophobicContact CG2-CD2 3.75Å; I446-F450 HydrophobicContact CG2-CE2 3.89Å; I446-F450 WeakPolarHBondContact O-CD2 3.35Å; I446-F450 PolarHBondContact O-N 3.24Å |
| 447 | F | 97.8 | Very high | 93 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 176.7 | -178.8 | -86.9 | 0 | 0 | 0 | 111.9 | L273 I274 V277 L443 F444 F445 Y449 F450 K451 V452 | L273-F447 HydrophobicContact CD2-CE2 4.43Å; L273-F447 HydrophobicContact CG-CE2 4.45Å; L273-F447 HydrophobicContact CG-CZ 4.25Å; I274-F447 HydrophobicContact CG1-CE1 4.37Å; I274-F447 HydrophobicContact CG1-CZ 4.31Å; V277-F447 HydrophobicContact CB-CD1 4.11Å; V277-F447 HydrophobicContact CB-CE1 3.68Å; V277-F447 HydrophobicContact CB-CE2 4.43Å; V277-F447 HydrophobicContact CB-CZ 3.86Å; V277-F447 HydrophobicContact CG1-CB 4.46Å; V277-F447 HydrophobicContact CG1-CD1 3.42Å; V277-F447 VanDerWaalsContact CG1-CD1 3.42Å; V277-F447 HydrophobicContact CG1-CD2 4.18Å; V277-F447 HydrophobicContact CG1-CE1 3.55Å; V277-F447 HydrophobicContact CG1-CE2 4.28Å; V277-F447 HydrophobicContact CG1-CG 3.76Å; V277-F447 HydrophobicContact CG1-CZ 3.98Å; V277-F447 HydrophobicContact CG2-CE1 4.24Å; V277-F447 HydrophobicContact CG2-CE2 4.12Å; V277-F447 HydrophobicContact CG2-CZ 3.89Å; L443-F447 WeakPolarHBondContact O-CB 3.47Å; L443-F447 PolarHBondContact O-N 3.32Å; F444-F447 PolarHBondContact O-N 2.94Å; F445-F447 VanDerWaalsContact C-N 3.34Å; F445-F447 PolarHBondContact O-N 3.26Å; F447-Y449 VanDerWaalsContact C-N 3.31Å; F447-Y449 PolarHBondContact O-N 3.34Å; F447-F450 PolarHBondContact O-N 3.03Å; F447-K451 HydrophobicContact CD1-CB 4.35Å; F447-K451 HydrophobicContact CD2-CB 4.26Å; F447-K451 HydrophobicContact CD2-CG 4.13Å; F447-K451 HydrophobicContact CE1-CB 4.04Å; F447-K451 HydrophobicContact CE2-CB 3.96Å; F447-K451 HydrophobicContact CE2-CG 3.94Å; F447-K451 HydrophobicContact CG-CB 4.46Å; F447-K451 HydrophobicContact CZ-CB 3.83Å; F447-K451 HydrophobicContact CZ-CG 4.32Å; F447-K451 WeakPolarHBondContact O-CB 3.41Å; F447-K451 PolarHBondContact O-N 3.31Å; F447-V452 HydrophobicContact CD1-CG2 4.12Å; F447-V452 HydrophobicContact CE1-CG2 3.96Å |
| 448 | T | 96.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 179.8 | -57.2 | 0 | 0 | 0 | 0 | 111 | H337 L338 F444 F445 I446 V452 | H337-T448 HydrophobicContact CB-CG2 4.36Å; L338-T448 HydrophobicContact CD2-CG2 3.79Å; L338-T448 HydrophobicContact CG-CG2 3.86Å; F444-T448 VanDerWaalsContact O-CB 3.29Å; F444-T448 WeakPolarHBondContact O-CB 3.41Å; F444-T448 PolarHBondContact O-N 3.33Å; F444-T448 PolarHBondContact O-OG1 3.14Å; F445-T448 PolarHBondContact O-N 3.31Å; I446-T448 VanDerWaalsContact C-N 3.34Å; I446-T448 PolarHBondContact O-N 3.45Å; T448-V452 HydrophobicContact CG2-CB 4.02Å; T448-V452 HydrophobicContact CG2-CG1 4.45Å; T448-V452 HydrophobicContact CG2-CG2 4.11Å; T448-V452 WeakPolarHBondContact O-CB 3.29Å; T448-V452 PolarHBondContact O-N 3.11Å |
| 449 | Y | 96.3 | Very high | 90.7 | Very high | 120 Ų | 120 | 62.1 Ų | 62.1 | 47% | 0.471 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 178.4 | -172.7 | -96.3 | 0 | 0 | 0 | 112.5 | R334 L338 F445 I446 F447 | R334-Y449 PolarHBondContact NH1-O 3.1Å; R334-Y449 PolarHBondContact NH2-O 3.44Å; L338-Y449 HydrophobicContact CD1-CD2 4.14Å; F445-Y449 WeakPolarHBondContact O-CB 3.49Å; F445-Y449 PolarHBondContact O-N 3.13Å; I446-Y449 PolarHBondContact O-N 2.83Å; F447-Y449 VanDerWaalsContact C-N 3.31Å; F447-Y449 PolarHBondContact O-N 3.34Å |
| 450 | F | 94.3 | Very high | 88.9 | Confident | 148 Ų | 148 | 62.4 Ų | 62.4 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -91.9 | -33.6 | -176.6 | -70.2 | -65.5 | 0 | 0 | 0 | 114.6 | I446 F447 | I446-F450 HydrophobicContact CG2-CD2 3.75Å; I446-F450 HydrophobicContact CG2-CE2 3.89Å; I446-F450 WeakPolarHBondContact O-CD2 3.35Å; I446-F450 PolarHBondContact O-N 3.24Å; F447-F450 PolarHBondContact O-N 3.03Å |
| 451 | K | 92.4 | Very high | 87.2 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -112.2 | -23.4 | -167 | -66.7 | -68.1 | -174.3 | 175.9 | 0 | 114.8 | I274 F447 P453 | I274-K451 WeakPolarHBondContact CD1-O 3.25Å; F447-K451 HydrophobicContact CD1-CB 4.35Å; F447-K451 HydrophobicContact CD2-CB 4.26Å; F447-K451 HydrophobicContact CD2-CG 4.13Å; F447-K451 HydrophobicContact CE1-CB 4.04Å; F447-K451 HydrophobicContact CE2-CB 3.96Å; F447-K451 HydrophobicContact CE2-CG 3.94Å; F447-K451 HydrophobicContact CG-CB 4.46Å; F447-K451 HydrophobicContact CZ-CB 3.83Å; F447-K451 HydrophobicContact CZ-CG 4.32Å; F447-K451 WeakPolarHBondContact O-CB 3.41Å; F447-K451 PolarHBondContact O-N 3.31Å; K451-P453 WeakPolarHBondContact O-CD 3.48Å |
| 452 | V | 92.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 119.9 | -175.3 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | I274 L278 R334 I390 F447 T448 | I274-V452 HydrophobicContact CG2-CG1 4.36Å; I274-V452 HydrophobicContact CG2-CG2 3.93Å; L278-V452 HydrophobicContact CD1-CG1 4.44Å; L278-V452 HydrophobicContact CD2-CG2 4.18Å; L278-V452 HydrophobicContact CG-CG2 4.48Å; R334-V452 WeakPolarHBondContact CD-O 3.44Å; R334-V452 PolarHBondContact NH1-O 3.18Å; I390-V452 HydrophobicContact CD1-CG1 4.12Å; F447-V452 HydrophobicContact CD1-CG2 4.12Å; F447-V452 HydrophobicContact CE1-CG2 3.96Å; T448-V452 HydrophobicContact CG2-CB 4.02Å; T448-V452 HydrophobicContact CG2-CG1 4.45Å; T448-V452 HydrophobicContact CG2-CG2 4.11Å; T448-V452 WeakPolarHBondContact O-CB 3.29Å; T448-V452 PolarHBondContact O-N 3.11Å |
| 453 | P | 89.5 | Confident | 84.5 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 157.2 | 175.5 | 33 | -35.7 | 0 | 0 | 0 | 110.9 | L394 K451 F467 | L394-P453 HydrophobicContact CD2-CG 4.12Å; K451-P453 WeakPolarHBondContact O-CD 3.48Å; P453-F467 HydrophobicContact CG-CE1 4.35Å; P453-F467 HydrophobicContact CG-CE2 4.41Å; P453-F467 HydrophobicContact CG-CZ 3.72Å |
| 454 | E | 88.4 | Confident | 83 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 126.3 | 164.3 | -177 | 55 | -110.7 | 0 | 0 | 109.1 | G332 R333 R334 K456 R458 | G332-E454 VanDerWaalsContact C-OE2 3.28Å; G332-E454 VanDerWaalsContact CA-OE2 3.23Å; G332-E454 WeakPolarHBondContact CA-OE2 3.38Å; R333-E454 PolarHBondContact N-OE1 2.95Å; R333-E454 PolarHBondContact N-OE2 3.26Å; R333-E454 VanDerWaalsContact N-OE2 3.11Å; R334-E454 WeakPolarHBondContact CB-OE2 3.37Å; R334-E454 PolarHBondContact N-OE2 3.4Å; E454-K456 HydrophobicContact CG-CB 4.32Å; E454-K456 WeakPolarHBondContact OE1-CB 3.38Å; E454-K456 PolarHBondContact OE1-N 3.17Å; E454-R458 VanDerWaalsContact O-CD 3.31Å; E454-R458 WeakPolarHBondContact O-CD 3.3Å; E454-R458 PolarHBondContact O-NE 3.4Å |
| 455 | T | 81.7 | Confident | 81.4 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | trans | -103.5 | -16.4 | -177.7 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | E393 L394 G457 R458 I463 | E393-T455 HydrophobicContact CB-CG2 4.3Å; E393-T455 WeakPolarHBondContact OE2-CB 3.35Å; E393-T455 PolarHBondContact OE2-OG1 3.47Å; L394-T455 HydrophobicContact CD2-CG2 4.31Å; T455-G457 PolarHBondContact O-N 3.16Å; T455-R458 PolarHBondContact O-N 3.08Å; T455-I463 HydrophobicContact CG2-CD1 3.97Å | ||
| 456 | K | 76.1 | Confident | 80 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 30% | 0.296 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 125 | -178.8 | -179.9 | 175.6 | -179.2 | 169.2 | 0 | 111.7 | E329 R330 A331 E454 R458 | E329-K456 VanDerWaalsContact O-CE 3.31Å; E329-K456 WeakPolarHBondContact O-CE 3.2Å; E329-K456 PolarHBondContact O-NZ 3.35Å; R330-K456 PolarHBondContact O-NZ 2.66Å; A331-K456 VanDerWaalsContact O-CD 3.29Å; A331-K456 WeakPolarHBondContact O-CD 3.46Å; A331-K456 PolarHBondContact O-NZ 3.19Å; A331-K456 VanDerWaalsContact O-NZ 3.16Å; E454-K456 HydrophobicContact CG-CB 4.32Å; E454-K456 WeakPolarHBondContact OE1-CB 3.38Å; E454-K456 PolarHBondContact OE1-N 3.17Å; K456-R458 PolarHBondContact O-N 3.35Å |
| 457 | G | 67.6 | Low | 78.7 | Confident | 83 Ų | 83 | 62 Ų | 62 | 86% | 0.856 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 11.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T455 | T455-G457 PolarHBondContact O-N 3.16Š|
| 458 | R | 72.4 | Confident | 76.9 | Confident | 137 Ų | 137 | 68.3 Ų | 68.3 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | trans | -105.9 | 148.1 | 178.8 | -61.8 | -169 | -177.5 | -171.5 | -4.5 | 111.7 | E454 T455 K456 E462 I463 | E454-R458 VanDerWaalsContact O-CD 3.31Å; E454-R458 WeakPolarHBondContact O-CD 3.3Å; E454-R458 PolarHBondContact O-NE 3.4Å; T455-R458 PolarHBondContact O-N 3.08Å; K456-R458 PolarHBondContact O-N 3.35Å; R458-E462 VanDerWaalsContact CA-OE2 3.25Å; R458-E462 WeakPolarHBondContact CA-OE2 3.32Å; R458-E462 HydrophobicContact CB-CB 4.49Å; R458-E462 WeakPolarHBondContact CB-OE2 3.3Å; R458-I463 HydrophobicContact CB-CD1 4.21Å; R458-I463 HydrophobicContact CB-CG1 3.97Å | ||
| 459 | T | 73.2 | Confident | 75 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | trans | -80.5 | 160.3 | 173.9 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | D461 E462 I463 | T459-D461 PolarHBondContact O-N 2.97Å; T459-E462 PolarHBondContact N-OE2 3.17Å; T459-E462 PolarHBondContact O-N 2.79Å; T459-E462 WeakPolarHBondContact OG1-CG 3.42Å; T459-E462 PolarHBondContact OG1-N 3.24Å; T459-E462 PolarHBondContact OG1-OE1 3.32Å; T459-I463 WeakPolarHBondContact O-CG1 3.41Å; T459-I463 PolarHBondContact O-N 3.49Å; T459-I463 VanDerWaalsContact O-N 3.08Å | ||
| 460 | F | 61.3 | Low | 72.9 | Confident | 86 Ų | 86 | 71 Ų | 71 | 38% | 0.377 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.7 | -39 | 176.4 | -64.9 | -67.3 | 0 | 0 | 0 | 112.1 | A392 E393 F395 I463 A464 | A392-F460 WeakPolarHBondContact O-CE1 3.41Å; E393-F460 WeakPolarHBondContact O-CD1 3.31Å; E393-F460 VanDerWaalsContact O-CE1 3.26Å; E393-F460 WeakPolarHBondContact O-CE1 3.48Å; F395-F460 WeakPolarHBondContact O-CE1 3.27Å; F460-I463 PolarHBondContact O-N 3.37Å; F460-A464 VanDerWaalsContact O-CB 3.29Å; F460-A464 WeakPolarHBondContact O-CB 3.29Å; F460-A464 PolarHBondContact O-N 2.88Å |
| 461 | D | 62 | Low | 70.6 | Confident | 124 Ų | 124 | 66 Ų | 66 | 66% | 0.663 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.3 | -35.9 | -179 | -67.6 | -36.5 | 0 | 0 | 0 | 112.1 | T459 A464 S465 | T459-D461 PolarHBondContact O-N 2.97Å; D461-A464 PolarHBondContact O-N 3.12Å; D461-S465 VanDerWaalsContact O-CB 3.27Å; D461-S465 WeakPolarHBondContact O-CB 3.27Å; D461-S465 PolarHBondContact O-N 3.12Å; D461-S465 PolarHBondContact O-OG 3.35Å; D461-S465 VanDerWaalsContact O-OG 3.12Å |
| 462 | E | 69.5 | Low | 68.2 | Low | 93 Ų | 93 | 63.9 Ų | 63.9 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 172 | -75.2 | 157.6 | -150 | 0 | 0 | 112.3 | R458 T459 S465 G466 | R458-E462 VanDerWaalsContact CA-OE2 3.25Å; R458-E462 WeakPolarHBondContact CA-OE2 3.32Å; R458-E462 HydrophobicContact CB-CB 4.49Å; R458-E462 WeakPolarHBondContact CB-OE2 3.3Å; T459-E462 PolarHBondContact N-OE2 3.17Å; T459-E462 PolarHBondContact O-N 2.79Å; T459-E462 WeakPolarHBondContact OG1-CG 3.42Å; T459-E462 PolarHBondContact OG1-N 3.24Å; T459-E462 PolarHBondContact OG1-OE1 3.32Å; E462-S465 WeakPolarHBondContact CA-OG 3.46Å; E462-S465 PolarHBondContact O-OG 3.38Å; E462-G466 PolarHBondContact O-N 2.85Å; E462-G466 VanDerWaalsContact O-N 3.12Å |
| 463 | I | 71 | Confident | 65.6 | Low | 9 Ų | 9 | 67.4 Ų | 67.4 | 5% | 0.046 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.3 | -46 | 176.9 | -67.1 | 166.5 | 0 | 0 | 0 | 109.8 | E393 L394 T455 R458 T459 F460 S465 G466 F467 | E393-I463 WeakPolarHBondContact O-CD1 3.24Å; L394-I463 HydrophobicContact CD2-CG2 3.89Å; T455-I463 HydrophobicContact CG2-CD1 3.97Å; R458-I463 HydrophobicContact CB-CD1 4.21Å; R458-I463 HydrophobicContact CB-CG1 3.97Å; T459-I463 WeakPolarHBondContact O-CG1 3.41Å; T459-I463 PolarHBondContact O-N 3.49Å; T459-I463 VanDerWaalsContact O-N 3.08Å; F460-I463 PolarHBondContact O-N 3.37Å; I463-S465 PolarHBondContact O-N 3.48Å; I463-G466 PolarHBondContact O-N 3.24Å; I463-F467 HydrophobicContact CG2-CD2 4.09Å; I463-F467 HydrophobicContact CG2-CE2 3.53Å; I463-F467 HydrophobicContact CG2-CZ 4.48Å; I463-F467 WeakPolarHBondContact O-CD2 3.5Å; I463-F467 PolarHBondContact O-N 2.97Å |
| 464 | A | 65 | Low | 63.2 | Low | 31 Ų | 31 | 73.7 Ų | 73.7 | 26% | 0.256 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.4 | -33.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F460 D461 R468 | F460-A464 VanDerWaalsContact O-CB 3.29Å; F460-A464 WeakPolarHBondContact O-CB 3.29Å; F460-A464 PolarHBondContact O-N 2.88Å; D461-A464 PolarHBondContact O-N 3.12Å; A464-R468 WeakPolarHBondContact O-CG 3.49Å; A464-R468 PolarHBondContact O-N 2.84Å; A464-R468 PolarHBondContact O-NE 3.47Å |
| 465 | S | 64.6 | Low | 60.7 | Low | 50 Ų | 50 | 76 Ų | 76 | 35% | 0.35 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.7 | -37.5 | 174.5 | 67 | 0 | 0 | 0 | 0 | 111.6 | D461 E462 I463 F467 R468 Q469 | D461-S465 VanDerWaalsContact O-CB 3.27Å; D461-S465 WeakPolarHBondContact O-CB 3.27Å; D461-S465 PolarHBondContact O-N 3.12Å; D461-S465 PolarHBondContact O-OG 3.35Å; D461-S465 VanDerWaalsContact O-OG 3.12Å; E462-S465 WeakPolarHBondContact CA-OG 3.46Å; E462-S465 PolarHBondContact O-OG 3.38Å; I463-S465 PolarHBondContact O-N 3.48Å; S465-F467 VanDerWaalsContact C-N 3.32Å; S465-F467 PolarHBondContact O-N 3.42Å; S465-R468 PolarHBondContact O-N 3.44Å; S465-R468 VanDerWaalsContact O-N 3.07Å; S465-Q469 PolarHBondContact O-N 3.07Å |
| 466 | G | 70.4 | Confident | 58.5 | Low | 40 Ų | 40 | 82 Ų | 82 | 41% | 0.412 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E462 I463 G470 | E462-G466 PolarHBondContact O-N 2.85Å; E462-G466 VanDerWaalsContact O-N 3.12Å; I463-G466 PolarHBondContact O-N 3.24Å; G466-G470 PolarHBondContact O-N 3.32Å; G466-G470 VanDerWaalsContact O-N 3.15Å |
| 467 | F | 71.1 | Confident | 56.5 | Low | 28 Ų | 28 | 86.3 Ų | 86.3 | 12% | 0.123 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67.7 | -33.2 | 174 | -70.8 | -60.4 | 0 | 0 | 0 | 113.3 | Q270 P271 I274 L394 P453 I463 S465 G471 | Q270-F467 HydrophobicContact CB-CD1 4.16Å; Q270-F467 HydrophobicContact CB-CE1 4.47Å; Q270-F467 VanDerWaalsContact CD-CD1 3.48Å; Q270-F467 HydrophobicContact CG-CD1 3.68Å; Q270-F467 HydrophobicContact CG-CE1 3.76Å; P271-F467 HydrophobicContact CG-CD2 3.87Å; P271-F467 HydrophobicContact CG-CE2 3.83Å; P271-F467 HydrophobicContact CG-CG 4.4Å; P271-F467 HydrophobicContact CG-CZ 4.33Å; I274-F467 HydrophobicContact CD1-CE1 3.51Å; I274-F467 HydrophobicContact CD1-CZ 3.54Å; L394-F467 HydrophobicContact CD2-CE2 3.81Å; L394-F467 HydrophobicContact CD2-CZ 3.84Å; P453-F467 HydrophobicContact CG-CE1 4.35Å; P453-F467 HydrophobicContact CG-CE2 4.41Å; P453-F467 HydrophobicContact CG-CZ 3.72Å; I463-F467 HydrophobicContact CG2-CD2 4.09Å; I463-F467 HydrophobicContact CG2-CE2 3.53Å; I463-F467 HydrophobicContact CG2-CZ 4.48Å; I463-F467 WeakPolarHBondContact O-CD2 3.5Å; I463-F467 PolarHBondContact O-N 2.97Å; S465-F467 VanDerWaalsContact C-N 3.32Å; S465-F467 PolarHBondContact O-N 3.42Å; F467-G471 PolarHBondContact O-N 3.15Å |
| 468 | R | 60.2 | Low | 55.1 | Low | 175 Ų | 175 | 86.8 Ų | 86.8 | 66% | 0.66 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.1 | -39.6 | 177.7 | -70.5 | -178.2 | -121.3 | -157.2 | 2.6 | 112.5 | A464 S465 G471 A472 | A464-R468 WeakPolarHBondContact O-CG 3.49Å; A464-R468 PolarHBondContact O-N 2.84Å; A464-R468 PolarHBondContact O-NE 3.47Å; S465-R468 PolarHBondContact O-N 3.44Å; S465-R468 VanDerWaalsContact O-N 3.07Å; R468-G471 PolarHBondContact O-N 3.45Å; R468-A472 PolarHBondContact O-N 3.28Å |
| 469 | Q | 56.5 | Low | 53.5 | Low | 143 Ų | 143 | 85.4 Ų | 85.4 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.6 | -37.7 | 177.4 | -73.9 | 178.5 | -6.6 | 0 | 0 | 112.5 | S465 G471 A472 S473 | S465-Q469 PolarHBondContact O-N 3.07Å; Q469-G471 VanDerWaalsContact C-N 3.31Å; Q469-G471 PolarHBondContact O-N 3.4Å; Q469-A472 PolarHBondContact O-N 3.45Å; Q469-S473 PolarHBondContact O-N 3.18Å; Q469-S473 PolarHBondContact O-OG 3.04Å |
| 470 | G | 52.3 | Low | 51.9 | Low | 33 Ų | 33 | 90.2 Ų | 90.2 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -34.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G466 S473 | G466-G470 PolarHBondContact O-N 3.32Å; G466-G470 VanDerWaalsContact O-N 3.15Å; G470-S473 PolarHBondContact O-OG 3.29Å |
| 471 | G | 45.3 | Very low | 50.8 | Low | 43 Ų | 43 | 93.6 Ų | 93.6 | 44% | 0.443 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71 | -36.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F467 R468 Q469 | F467-G471 PolarHBondContact O-N 3.15Å; R468-G471 PolarHBondContact O-N 3.45Å; Q469-G471 VanDerWaalsContact C-N 3.31Å; Q469-G471 PolarHBondContact O-N 3.4Å |
| 472 | A | 41.7 | Very low | 49.8 | Very low | 52 Ų | 52 | 94.6 Ų | 94.6 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.8 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R468 Q469 Q474 S475 | R468-A472 PolarHBondContact O-N 3.28Å; Q469-A472 PolarHBondContact O-N 3.45Å; A472-Q474 PolarHBondContact O-N 2.97Å; A472-S475 PolarHBondContact O-N 3.1Å; A472-S475 PolarHBondContact O-OG 3.2Å; A472-S475 VanDerWaalsContact O-OG 3.1Å |
| 473 | S | 37.5 | Very low | 48.3 | Very low | 75 Ų | 75 | 98.7 Ų | 98.7 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.5 | 177.8 | 68.4 | 0 | 0 | 0 | 0 | 114.9 | Q469 G470 | Q469-S473 PolarHBondContact O-N 3.18Å; Q469-S473 PolarHBondContact O-OG 3.04Å; G470-S473 PolarHBondContact O-OG 3.29Å |
| 474 | Q | 39 | Very low | 46.5 | Very low | 162 Ų | 162 | 107 Ų | 107 | 76% | 0.757 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -14.9 | 174.4 | -80.9 | -170.5 | -18.8 | 0 | 0 | 113.9 | A472 | A472-Q474 PolarHBondContact O-N 2.97Š|
| 475 | S | 36.1 | Very low | 45.1 | Very low | 88 Ų | 88 | 111 Ų | 111 | 62% | 0.615 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -16.1 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | A472 | A472-S475 PolarHBondContact O-N 3.1Å; A472-S475 PolarHBondContact O-OG 3.2Å; A472-S475 VanDerWaalsContact O-OG 3.1Å |
| 476 | D | 34.9 | Very low | 44 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | trans | -111 | 12.8 | -171.7 | -76.9 | -9.3 | 0 | 0 | 0 | 115.3 | T478 | D476-T478 PolarHBondContact O-N 3.21Š| ||
| 477 | K | 35.2 | Very low | 42.4 | Very low | 157 Ų | 157 | 119 Ų | 119 | 68% | 0.683 | 65% | 0.65 | S | S | * | * | trans | -85.5 | 92.6 | 170.2 | -68.6 | -163.4 | 176.9 | -164.3 | 0 | 110.4 | ||||
| 478 | T | 38.3 | Very low | 40.6 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 57% | 0.571 | 68% | 0.681 | S | S | * | * | trans | -62.5 | 150.6 | 162.1 | 32.9 | 0 | 0 | 0 | 0 | 110.5 | D476 E480 | D476-T478 PolarHBondContact O-N 3.21Å; T478-E480 PolarHBondContact O-N 2.97Å | ||
| 479 | P | 38.2 | Very low | 39.6 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -66.9 | -0.1 | -172.2 | -19.1 | 32 | 0 | 0 | 0 | 116.4 | ||
| 480 | E | 38.6 | Very low | 38.7 | Very low | 172 Ų | 172 | 120.1 Ų | 120.1 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -84.8 | -19 | -173 | -74.6 | -178.1 | 154.6 | 0 | 0 | 113.9 | T478 L482 | T478-E480 PolarHBondContact O-N 2.97Å; E480-L482 VanDerWaalsContact C-N 3.35Å; E480-L482 PolarHBondContact O-N 3.46Å |
| 481 | E | 40.3 | Very low | 38 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -85.2 | -1.8 | -179.1 | -71.9 | -171.8 | 160.6 | 0 | 0 | 114.7 | ||
| 482 | L | 39.9 | Very low | 37.7 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -88 | -2.7 | 179.4 | -102.1 | 122.5 | 0 | 0 | 0 | 114.5 | E480 | E480-L482 VanDerWaalsContact C-N 3.35Å; E480-L482 PolarHBondContact O-N 3.46Å |
| 483 | F | 37.6 | Very low | 37.5 | Very low | 178 Ų | 178 | 140 Ų | 140 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -128 | 72.6 | -179.7 | -70.4 | -81.6 | 0 | 0 | 0 | 112 | ||||
| 484 | H | 33.8 | Very low | 37.5 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | -118.3 | 116.2 | 152.6 | -114.2 | -70.3 | 0 | 0 | 0 | 108.7 | ||||
| 485 | P | 35.7 | Very low | 37.4 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | -76.5 | 150 | 179.7 | 31.1 | -31.3 | 0 | 0 | 0 | 110.7 | ||||
| 486 | L | 40.8 | Very low | 37.5 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 95% | 0.948 | 81% | 0.805 | S | S | * | * | trans | -49.3 | 139.6 | 174.3 | -72.2 | 122.6 | 0 | 0 | 0 | 113.7 | ||||
| 487 | G | 37.5 | Very low | 37.6 | Very low | 78 Ų | 78 | 146.4 Ų | 146.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 95.4 | 109.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 488 | A | 32.4 | Very low | 37.8 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -168.5 | 80.4 | 143.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 489 | D | 40.6 | Very low | 37.7 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 94% | 0.941 | 84% | 0.838 | S | S | * | * | trans | -88.1 | 110.9 | 154.2 | -88.5 | -24.8 | 0 | 0 | 0 | 107.6 | ||||
| 490 | S | 37.6 | Very low | 37.7 | Very low | 100 Ų | 100 | 152.6 Ų | 152.6 | 70% | 0.699 | 85% | 0.848 | S | S | * | * | trans | -160.6 | 112.9 | 161.1 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 491 | Q | 37.6 | Very low | 37.6 | Very low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 85% | 0.852 | S | S | * | * | trans | 63.5 | 131.7 | 151.2 | -55.3 | -174.9 | -8 | 0 | 0 | 116.7 | ||||
| 492 | V | 37.7 | Very low | 37.4 | Very low | 212 Ų | 212 | 150.4 Ų | 150.4 | 100% | 1.285 | 86% | 0.862 | S | S | * | * | cis | -144.6 | 0 | 41.5 | 169 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 492 of 492 residues in 979.9 ms
(Link to these results)