| 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 | 47.3 | Very low | 68.9 | Low | 221 Ų | 221 | 114.4 Ų | 114.4 | 100% | 1.089 | 57% | 0.574 | S | S | * | * | 0 | 107.3 | 0 | -94.5 | 158 | 61 | 0 | 0 | 109.6 | M3 | M1-M3 PolarHBondContact O-N 2.8Š| |||
| 2 | K | 50.3 | Low | 69.1 | Low | 218 Ų | 218 | 107.6 Ų | 107.6 | 95% | 0.948 | 55% | 0.546 | S | S | * | . | trans | -72.2 | 107.2 | 169.4 | -84.2 | 176.8 | 175.1 | 174.3 | 0 | 107.6 | S4 | K2-S4 PolarHBondContact O-N 3.36Š| ||
| 3 | M | 58.7 | Low | 69.5 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | trans | -62.8 | 122.3 | 171.1 | -69.7 | -85.3 | 179.8 | 0 | 0 | 108.1 | M1 L5 Q7 R8 | M1-M3 PolarHBondContact O-N 2.8Å; M3-L5 PolarHBondContact O-N 3.43Å; M3-Q7 PolarHBondContact SD-NE2 3.49Å; M3-R8 HydrophobicContact CB-CG 4.1Å | ||
| 4 | S | 75.7 | Confident | 70 | Confident | 67 Ų | 67 | 112.5 Ų | 112.5 | 47% | 0.469 | 55% | 0.554 | S | S | . | * | trans | -55.7 | 138.3 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | K2 A6 Q7 R8 | K2-S4 PolarHBondContact O-N 3.36Å; S4-A6 PolarHBondContact O-N 2.94Å; S4-A6 PolarHBondContact OG-N 3.39Å; S4-Q7 WeakPolarHBondContact O-CB 3.45Å; S4-Q7 PolarHBondContact O-N 2.78Å; S4-R8 PolarHBondContact O-N 3.3Å; S4-R8 VanDerWaalsContact O-N 3.1Å | ||
| 5 | L | 71.7 | Confident | 70.2 | Confident | 140 Ų | 140 | 109.5 Ų | 109.5 | 73% | 0.733 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -52.9 | -39.5 | 175.7 | -78.5 | 166.4 | 0 | 0 | 0 | 111 | M3 Q7 R8 V9 | M3-L5 PolarHBondContact O-N 3.43Å; L5-Q7 PolarHBondContact O-N 3.03Å; L5-R8 PolarHBondContact O-N 2.75Å; L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 2.71Å |
| 6 | A | 75.3 | Confident | 70.1 | Confident | 50 Ų | 50 | 105 Ų | 105 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S4 R8 V9 F10 | S4-A6 PolarHBondContact O-N 2.94Å; S4-A6 PolarHBondContact OG-N 3.39Å; A6-R8 PolarHBondContact O-N 3.42Å; A6-V9 PolarHBondContact O-N 3.28Å; A6-F10 HydrophobicContact CB-CD2 4.46Å; A6-F10 HydrophobicContact CB-CE2 4.43Å; A6-F10 WeakPolarHBondContact O-CD2 3.21Å; A6-F10 PolarHBondContact O-N 3.43Å |
| 7 | Q | 76.3 | Confident | 70.2 | Confident | 98 Ų | 98 | 104.7 Ų | 104.7 | 46% | 0.458 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | -179.4 | -173.5 | 175.3 | -39 | 0 | 0 | 111.8 | M3 S4 L5 V9 F10 L11 | M3-Q7 PolarHBondContact SD-NE2 3.49Å; S4-Q7 WeakPolarHBondContact O-CB 3.45Å; S4-Q7 PolarHBondContact O-N 2.78Å; L5-Q7 PolarHBondContact O-N 3.03Å; Q7-V9 VanDerWaalsContact C-N 3.32Å; Q7-V9 PolarHBondContact O-N 2.85Å; Q7-F10 PolarHBondContact O-N 3.26Å; Q7-L11 WeakPolarHBondContact O-CB 3.32Å; Q7-L11 PolarHBondContact O-N 2.65Å |
| 8 | R | 73.2 | Confident | 70.5 | Confident | 98 Ų | 98 | 102.5 Ų | 102.5 | 37% | 0.37 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.2 | -70.1 | -179.2 | 168.3 | -170.1 | -2.6 | 111.6 | M3 S4 L5 A6 S12 M52 | M3-R8 HydrophobicContact CB-CG 4.1Å; S4-R8 PolarHBondContact O-N 3.3Å; S4-R8 VanDerWaalsContact O-N 3.1Å; L5-R8 PolarHBondContact O-N 2.75Å; A6-R8 PolarHBondContact O-N 3.42Å; R8-S12 WeakPolarHBondContact O-CB 3.49Å; R8-S12 PolarHBondContact O-N 3.48Å; R8-S12 PolarHBondContact O-OG 3.43Å; R8-M52 PolarHBondContact NH2-SD 2.99Å; R8-M52 VanDerWaalsContact NH2-SD 3.41Å |
| 9 | V | 75.2 | Confident | 70.5 | Confident | 75 Ų | 75 | 97.7 Ų | 97.7 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -55.8 | 177.6 | 173 | 0 | 0 | 0 | 0 | 109.5 | L5 A6 Q7 L11 S12 W13 | L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 2.71Å; A6-V9 PolarHBondContact O-N 3.28Å; Q7-V9 VanDerWaalsContact C-N 3.32Å; Q7-V9 PolarHBondContact O-N 2.85Å; V9-L11 VanDerWaalsContact C-N 3.3Å; V9-L11 PolarHBondContact O-N 2.9Å; V9-S12 WeakPolarHBondContact O-CA 3.45Å; V9-S12 VanDerWaalsContact O-CB 3.3Å; V9-S12 WeakPolarHBondContact O-CB 3.38Å; V9-S12 PolarHBondContact O-N 3.49Å; V9-W13 VanDerWaalsContact CG1-CD1 3.41Å; V9-W13 PolarHBondContact O-N 2.92Å |
| 10 | F | 78.9 | Confident | 70.3 | Confident | 138 Ų | 138 | 98.5 Ų | 98.5 | 61% | 0.605 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -54.8 | -44.5 | 178.5 | -78.6 | -66.3 | 0 | 0 | 0 | 112.7 | A6 Q7 S12 W13 I14 | A6-F10 HydrophobicContact CB-CD2 4.46Å; A6-F10 HydrophobicContact CB-CE2 4.43Å; A6-F10 WeakPolarHBondContact O-CD2 3.21Å; A6-F10 PolarHBondContact O-N 3.43Å; Q7-F10 PolarHBondContact O-N 3.26Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.28Å; F10-W13 PolarHBondContact O-N 3.38Å; F10-I14 WeakPolarHBondContact O-CB 3.31Å; F10-I14 WeakPolarHBondContact O-CD1 3.35Å; F10-I14 WeakPolarHBondContact O-CG1 3.27Å; F10-I14 PolarHBondContact O-N 3.36Å |
| 11 | L | 74.8 | Confident | 70.5 | Confident | 77 Ų | 77 | 97.9 Ų | 97.9 | 40% | 0.403 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 177.1 | -144.9 | 105.4 | 0 | 0 | 0 | 111.2 | Q7 V9 W13 I14 F15 F45 | Q7-L11 WeakPolarHBondContact O-CB 3.32Å; Q7-L11 PolarHBondContact O-N 2.65Å; V9-L11 VanDerWaalsContact C-N 3.3Å; V9-L11 PolarHBondContact O-N 2.9Å; L11-W13 VanDerWaalsContact C-N 3.33Å; L11-W13 PolarHBondContact O-N 2.94Å; L11-I14 PolarHBondContact O-N 2.9Å; L11-F15 HydrophobicContact CD2-CD2 3.99Å; L11-F15 HydrophobicContact CD2-CE2 3.76Å; L11-F15 HydrophobicContact CG-CD2 4.1Å; L11-F15 HydrophobicContact CG-CE2 4.08Å; L11-F15 WeakPolarHBondContact O-CB 3.39Å; L11-F15 WeakPolarHBondContact O-CD2 3.28Å; L11-F15 PolarHBondContact O-N 3.29Å; L11-F45 HydrophobicContact CD2-CE2 4.32Å |
| 12 | S | 72.3 | Confident | 71.5 | Confident | 33 Ų | 33 | 91.1 Ų | 91.1 | 23% | 0.231 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 177 | -52 | 0 | 0 | 0 | 0 | 111.9 | R8 V9 F10 A16 F45 | R8-S12 WeakPolarHBondContact O-CB 3.49Å; R8-S12 PolarHBondContact O-N 3.48Å; R8-S12 PolarHBondContact O-OG 3.43Å; V9-S12 WeakPolarHBondContact O-CA 3.45Å; V9-S12 VanDerWaalsContact O-CB 3.3Å; V9-S12 WeakPolarHBondContact O-CB 3.38Å; V9-S12 PolarHBondContact O-N 3.49Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.28Å; S12-A16 VanDerWaalsContact O-CB 3.3Å; S12-A16 WeakPolarHBondContact O-CB 3.3Å; S12-A16 PolarHBondContact O-N 2.88Å; S12-F45 WeakPolarHBondContact OG-CZ 3.3Å |
| 13 | W | 73.8 | Confident | 72.4 | Confident | 182 Ų | 182 | 81.2 Ų | 81.2 | 69% | 0.689 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66 | -44.4 | 178.5 | -80.1 | 98.8 | 0 | 0 | 0 | 111.4 | V9 F10 L11 A16 L17 | V9-W13 VanDerWaalsContact CG1-CD1 3.41Å; V9-W13 PolarHBondContact O-N 2.92Å; F10-W13 PolarHBondContact O-N 3.38Å; L11-W13 VanDerWaalsContact C-N 3.33Å; L11-W13 PolarHBondContact O-N 2.94Å; W13-A16 PolarHBondContact O-N 3.43Å; W13-L17 WeakPolarHBondContact O-CB 3.42Å; W13-L17 PolarHBondContact O-N 3.16Å |
| 14 | I | 76.7 | Confident | 72.8 | Confident | 102 Ų | 102 | 80.2 Ų | 80.2 | 52% | 0.523 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 178.3 | -66 | 159.8 | 0 | 0 | 0 | 110.5 | F10 L11 A16 L17 V18 | F10-I14 WeakPolarHBondContact O-CB 3.31Å; F10-I14 WeakPolarHBondContact O-CD1 3.35Å; F10-I14 WeakPolarHBondContact O-CG1 3.27Å; F10-I14 PolarHBondContact O-N 3.36Å; L11-I14 PolarHBondContact O-N 2.9Å; I14-A16 VanDerWaalsContact C-N 3.33Å; I14-A16 PolarHBondContact O-N 2.99Å; I14-L17 WeakPolarHBondContact O-CB 3.44Å; I14-L17 PolarHBondContact O-N 3.12Å; I14-L17 VanDerWaalsContact O-N 3.15Å; I14-V18 HydrophobicContact CG2-CG2 4.48Å; I14-V18 WeakPolarHBondContact O-CG2 3.48Å; I14-V18 PolarHBondContact O-N 2.93Å |
| 15 | F | 72.6 | Confident | 72.4 | Confident | 67 Ų | 67 | 81 Ų | 81 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 176.5 | -92 | -83.7 | 0 | 0 | 0 | 112.3 | L11 L17 F19 P41 F45 | L11-F15 HydrophobicContact CD2-CD2 3.99Å; L11-F15 HydrophobicContact CD2-CE2 3.76Å; L11-F15 HydrophobicContact CG-CD2 4.1Å; L11-F15 HydrophobicContact CG-CE2 4.08Å; L11-F15 WeakPolarHBondContact O-CB 3.39Å; L11-F15 WeakPolarHBondContact O-CD2 3.28Å; L11-F15 PolarHBondContact O-N 3.29Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-F19 WeakPolarHBondContact O-CB 2.92Å; F15-F19 PolarHBondContact O-N 2.94Å; F15-P41 HydrophobicContact CD1-CB 3.8Å; F15-P41 HydrophobicContact CE1-CB 4.15Å; F15-F45 HydrophobicContact CD2-CD2 4.29Å; F15-F45 HydrophobicContact CG-CD2 4.45Å |
| 16 | A | 69.1 | Low | 72.2 | Confident | 38 Ų | 38 | 76 Ų | 76 | 31% | 0.314 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S12 W13 I14 F19 L20 | S12-A16 VanDerWaalsContact O-CB 3.3Å; S12-A16 WeakPolarHBondContact O-CB 3.3Å; S12-A16 PolarHBondContact O-N 2.88Å; W13-A16 PolarHBondContact O-N 3.43Å; I14-A16 VanDerWaalsContact C-N 3.33Å; I14-A16 PolarHBondContact O-N 2.99Å; A16-F19 PolarHBondContact O-N 3.27Å; A16-L20 WeakPolarHBondContact O-CB 3.48Å; A16-L20 PolarHBondContact O-N 2.97Å |
| 17 | L | 70.9 | Confident | 71.5 | Confident | 100 Ų | 100 | 77.8 Ų | 77.8 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.2 | -43.8 | 179 | -142.2 | 163 | 0 | 0 | 0 | 111.2 | W13 I14 F15 F19 L20 I21 | W13-L17 WeakPolarHBondContact O-CB 3.42Å; W13-L17 PolarHBondContact O-N 3.16Å; I14-L17 WeakPolarHBondContact O-CB 3.44Å; I14-L17 PolarHBondContact O-N 3.12Å; I14-L17 VanDerWaalsContact O-N 3.15Å; F15-L17 VanDerWaalsContact C-N 3.33Å; L17-F19 VanDerWaalsContact C-N 3.33Å; L17-F19 PolarHBondContact O-N 3.01Å; L17-L20 WeakPolarHBondContact O-CB 3.05Å; L17-L20 PolarHBondContact O-N 2.73Å; L17-I21 HydrophobicContact CD2-CD1 3.42Å; L17-I21 VanDerWaalsContact CD2-CD1 3.42Å; L17-I21 HydrophobicContact CD2-CG1 3.97Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.28Å; L17-I21 PolarHBondContact O-N 3.33Å |
| 18 | V | 75.7 | Confident | 71.1 | Confident | 65 Ų | 65 | 78.1 Ų | 78.1 | 39% | 0.394 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 174.2 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I14 I21 M22 | I14-V18 HydrophobicContact CG2-CG2 4.48Å; I14-V18 WeakPolarHBondContact O-CG2 3.48Å; I14-V18 PolarHBondContact O-N 2.93Å; V18-I21 PolarHBondContact O-N 3.35Å; V18-M22 PolarHBondContact O-N 2.84Å |
| 19 | F | 71.5 | Confident | 70.6 | Confident | 12 Ų | 12 | 78.5 Ų | 78.5 | 5% | 0.053 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 173.6 | 172.3 | -99.5 | 0 | 0 | 0 | 111.7 | F15 A16 L17 I21 M22 L23 I38 F39 V42 C91 | F15-F19 WeakPolarHBondContact O-CB 2.92Å; F15-F19 PolarHBondContact O-N 2.94Å; A16-F19 PolarHBondContact O-N 3.27Å; L17-F19 VanDerWaalsContact C-N 3.33Å; L17-F19 PolarHBondContact O-N 3.01Å; F19-I21 VanDerWaalsContact C-N 3.32Å; F19-I21 PolarHBondContact O-N 2.84Å; F19-M22 PolarHBondContact O-N 3.21Å; F19-L23 HydrophobicContact CE1-CD2 4.25Å; F19-L23 HydrophobicContact CZ-CD2 4.5Å; F19-L23 VanDerWaalsContact O-CB 3.25Å; F19-L23 WeakPolarHBondContact O-CB 3.33Å; F19-L23 PolarHBondContact O-N 2.83Å; F19-I38 HydrophobicContact CD2-CG2 4.25Å; F19-I38 VanDerWaalsContact CD2-O 3.24Å; F19-I38 WeakPolarHBondContact CD2-O 3.15Å; F19-I38 HydrophobicContact CE2-CG2 3.95Å; F19-F39 AromaticContact CE2-CD1 3.53Å; F19-F39 HydrophobicContact CE2-CD1 3.53Å; F19-F39 AromaticContact CE2-CE1 3.63Å; F19-F39 HydrophobicContact CE2-CE1 3.63Å; F19-F39 HydrophobicContact CE2-CG 4.16Å; F19-F39 HydrophobicContact CE2-CZ 4.33Å; F19-F39 AromaticContact CZ-CD1 3.93Å; F19-F39 HydrophobicContact CZ-CD1 3.93Å; F19-F39 AromaticContact CZ-CE1 3.53Å; F19-F39 HydrophobicContact CZ-CE1 3.53Å; F19-F39 HydrophobicContact CZ-CZ 4.13Å; F19-V42 HydrophobicContact CB-CG2 4.14Å; F19-V42 HydrophobicContact CD1-CG2 4.43Å; F19-V42 HydrophobicContact CD2-CG2 3.52Å; F19-V42 HydrophobicContact CE2-CG2 4.02Å; F19-V42 HydrophobicContact CG-CG2 3.76Å; F19-C91 HydrophobicContact CE1-CB 4.21Å; F19-C91 HydrophobicContact CZ-CB 4.17Å |
| 20 | L | 66.9 | Low | 69.9 | Low | 112 Ų | 112 | 82.6 Ų | 82.6 | 59% | 0.586 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.9 | -42 | 178.1 | -164.7 | 92.6 | 0 | 0 | 0 | 111.7 | A16 L17 L23 A24 | A16-L20 WeakPolarHBondContact O-CB 3.48Å; A16-L20 PolarHBondContact O-N 2.97Å; L17-L20 WeakPolarHBondContact O-CB 3.05Å; L17-L20 PolarHBondContact O-N 2.73Å; L20-L23 PolarHBondContact O-N 3.45Å; L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 3.48Å |
| 21 | I | 72.8 | Confident | 69.1 | Low | 87 Ų | 87 | 78.8 Ų | 78.8 | 45% | 0.446 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.1 | -51 | 177.3 | -69.5 | 165.5 | 0 | 0 | 0 | 110.4 | L17 V18 F19 L23 A24 L25 | L17-I21 HydrophobicContact CD2-CD1 3.42Å; L17-I21 VanDerWaalsContact CD2-CD1 3.42Å; L17-I21 HydrophobicContact CD2-CG1 3.97Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.28Å; L17-I21 PolarHBondContact O-N 3.33Å; V18-I21 PolarHBondContact O-N 3.35Å; F19-I21 VanDerWaalsContact C-N 3.32Å; F19-I21 PolarHBondContact O-N 2.84Å; I21-L23 PolarHBondContact O-N 2.86Å; I21-A24 PolarHBondContact O-N 3.23Å; I21-A24 VanDerWaalsContact O-N 3.15Å; I21-L25 HydrophobicContact CG2-CD1 3.64Å; I21-L25 WeakPolarHBondContact O-CD1 3.44Å; I21-L25 PolarHBondContact O-N 2.88Å |
| 22 | M | 69.8 | Low | 68.5 | Low | 78 Ų | 78 | 84.3 Ų | 84.3 | 38% | 0.384 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.8 | -38.3 | 176.7 | -80.8 | -170.1 | 152.2 | 0 | 0 | 112 | V18 F19 K26 I38 | V18-M22 PolarHBondContact O-N 2.84Å; F19-M22 PolarHBondContact O-N 3.21Å; M22-K26 WeakPolarHBondContact O-CB 3.35Å; M22-K26 PolarHBondContact O-N 3.42Å; M22-I38 HydrophobicContact CB-CG2 4.21Å |
| 23 | L | 68 | Low | 68.3 | Low | 11 Ų | 11 | 89.7 Ų | 89.7 | 6% | 0.058 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 175.9 | -175.4 | 68.5 | 0 | 0 | 0 | 111.8 | F19 L20 I21 K26 L27 W35 I38 C95 | F19-L23 HydrophobicContact CE1-CD2 4.25Å; F19-L23 HydrophobicContact CZ-CD2 4.5Å; F19-L23 VanDerWaalsContact O-CB 3.25Å; F19-L23 WeakPolarHBondContact O-CB 3.33Å; F19-L23 PolarHBondContact O-N 2.83Å; L20-L23 PolarHBondContact O-N 3.45Å; I21-L23 PolarHBondContact O-N 2.86Å; L23-K26 WeakPolarHBondContact O-CB 3.38Å; L23-K26 PolarHBondContact O-N 2.96Å; L23-L27 PolarHBondContact O-N 3.48Å; L23-W35 HydrophobicContact CD1-CZ3 3.91Å; L23-I38 HydrophobicContact CB-CG2 4.37Å; L23-I38 HydrophobicContact CD1-CG2 4.42Å; L23-C95 VanDerWaalsContact CD1-SG 3.53Å |
| 24 | A | 67.6 | Low | 67.9 | Low | 55 Ų | 55 | 86.8 Ų | 86.8 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L20 I21 K26 L27 D28 | L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 3.48Å; I21-A24 PolarHBondContact O-N 3.23Å; I21-A24 VanDerWaalsContact O-N 3.15Å; A24-K26 VanDerWaalsContact C-N 3.32Å; A24-K26 PolarHBondContact O-N 3.45Å; A24-L27 WeakPolarHBondContact O-CB 3.46Å; A24-L27 PolarHBondContact O-N 3.42Å; A24-L27 VanDerWaalsContact O-N 3.16Å; A24-D28 PolarHBondContact O-N 3.31Å |
| 25 | L | 68.4 | Low | 67.4 | Low | 83 Ų | 83 | 85 Ų | 85 | 44% | 0.435 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | 176 | -89.9 | 78 | 0 | 0 | 0 | 112.6 | I21 L27 I31 | I21-L25 HydrophobicContact CG2-CD1 3.64Å; I21-L25 WeakPolarHBondContact O-CD1 3.44Å; I21-L25 PolarHBondContact O-N 2.88Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-I31 HydrophobicContact CB-CD1 4.15Å; L25-I31 HydrophobicContact CD2-CD1 4.09Å |
| 26 | K | 67.4 | Low | 67 | Low | 36 Ų | 36 | 87.9 Ų | 87.9 | 16% | 0.157 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 172.5 | 179.2 | 64.7 | 175.5 | -177.6 | 0 | 111.3 | M22 L23 A24 D28 S29 I31 Q32 W33 W35 I38 | M22-K26 WeakPolarHBondContact O-CB 3.35Å; M22-K26 PolarHBondContact O-N 3.42Å; L23-K26 WeakPolarHBondContact O-CB 3.38Å; L23-K26 PolarHBondContact O-N 2.96Å; A24-K26 VanDerWaalsContact C-N 3.32Å; A24-K26 PolarHBondContact O-N 3.45Å; K26-D28 VanDerWaalsContact C-N 3.32Å; K26-S29 PolarHBondContact O-N 2.87Å; K26-S29 VanDerWaalsContact O-N 3.12Å; K26-I31 WeakPolarHBondContact CD-O 3.25Å; K26-I31 WeakPolarHBondContact CE-O 3.47Å; K26-I31 PolarHBondContact NZ-O 3.27Å; K26-Q32 VanDerWaalsContact NZ-C 3.28Å; K26-W33 WeakPolarHBondContact CE-O 3.31Å; K26-W33 PolarHBondContact NZ-O 2.9Å; K26-W35 HydrophobicContact CG-CH2 4.09Å; K26-W35 HydrophobicContact CG-CZ2 4.32Å; K26-W35 HydrophobicContact CG-CZ3 4.34Å; K26-I38 HydrophobicContact CB-CD1 3.56Å; K26-I38 HydrophobicContact CD-CD1 3.87Å; K26-I38 HydrophobicContact CG-CD1 3.43Å; K26-I38 VanDerWaalsContact CG-CD1 3.43Å |
| 27 | L | 60.6 | Low | 67 | Low | 86 Ų | 86 | 89.7 Ų | 89.7 | 45% | 0.45 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.2 | -34.1 | -179.5 | -163.6 | 69.5 | 0 | 0 | 0 | 112.7 | L23 A24 L25 S29 L98 | L23-L27 PolarHBondContact O-N 3.48Å; A24-L27 WeakPolarHBondContact O-CB 3.46Å; A24-L27 PolarHBondContact O-N 3.42Å; A24-L27 VanDerWaalsContact O-N 3.16Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L27-S29 PolarHBondContact O-N 2.87Å; L27-L98 HydrophobicContact CB-CD2 4.36Å; L27-L98 HydrophobicContact CD1-CB 3.49Å; L27-L98 VanDerWaalsContact CD1-CB 3.49Å; L27-L98 HydrophobicContact CD1-CD2 3.58Å; L27-L98 HydrophobicContact CD1-CG 3.38Å; L27-L98 HydrophobicContact CD2-CD1 4.45Å; L27-L98 HydrophobicContact CD2-CD2 3.5Å; L27-L98 VanDerWaalsContact CD2-CD2 3.5Å; L27-L98 HydrophobicContact CD2-CG 3.55Å; L27-L98 HydrophobicContact CG-CD2 3.97Å; L27-L98 HydrophobicContact CG-CG 4.04Å |
| 28 | D | 67.8 | Low | 66.9 | Low | 106 Ų | 106 | 85.3 Ų | 85.3 | 57% | 0.567 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 4.3 | 172.7 | -151.9 | -104.1 | 0 | 0 | 0 | 112.8 | A24 K26 K30 | A24-D28 PolarHBondContact O-N 3.31Å; K26-D28 VanDerWaalsContact C-N 3.32Å; D28-K30 HydrophobicContact CB-CG 3.88Å; D28-K30 PolarHBondContact O-N 3.47Å; D28-K30 WeakPolarHBondContact OD1-CE 3.39Å; D28-K30 WeakPolarHBondContact OD1-CG 3.49Å |
| 29 | S | 62.4 | Low | 66.6 | Low | 106 Ų | 106 | 83.3 Ų | 83.3 | 74% | 0.741 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 14.5 | -176.3 | -71.6 | 0 | 0 | 0 | 0 | 114.5 | K26 L27 I31 | K26-S29 PolarHBondContact O-N 2.87Å; K26-S29 VanDerWaalsContact O-N 3.12Å; L27-S29 PolarHBondContact O-N 2.87Å; S29-I31 PolarHBondContact O-N 3.11Å |
| 30 | K | 60.3 | Low | 66.9 | Low | 161 Ų | 161 | 86.6 Ų | 86.6 | 70% | 0.7 | 44% | 0.436 | S | S | * | . | trans | -68.8 | -22.2 | 178.6 | -67 | -81.4 | -178 | 173.6 | 0 | 112.5 | D28 | D28-K30 HydrophobicContact CB-CG 3.88Å; D28-K30 PolarHBondContact O-N 3.47Å; D28-K30 WeakPolarHBondContact OD1-CE 3.39Å; D28-K30 WeakPolarHBondContact OD1-CG 3.49Å | ||
| 31 | I | 61.8 | Low | 67.1 | Low | 58 Ų | 58 | 82 Ų | 82 | 30% | 0.297 | 41% | 0.412 | S | S | . | . | trans | -137.3 | 118.3 | -167.1 | -54.9 | -178 | 0 | 0 | 0 | 111.4 | L25 K26 S29 W33 | L25-I31 HydrophobicContact CB-CD1 4.15Å; L25-I31 HydrophobicContact CD2-CD1 4.09Å; K26-I31 WeakPolarHBondContact CD-O 3.25Å; K26-I31 WeakPolarHBondContact CE-O 3.47Å; K26-I31 PolarHBondContact NZ-O 3.27Å; S29-I31 PolarHBondContact O-N 3.11Å; I31-W33 HydrophobicContact CG2-CB 3.7Å; I31-W33 HydrophobicContact CG2-CD2 3.86Å; I31-W33 HydrophobicContact CG2-CG 3.28Å; I31-W33 PolarHBondContact O-N 3.27Å | ||
| 32 | Q | 62 | Low | 67 | Low | 193 Ų | 193 | 78.8 Ų | 78.8 | 90% | 0.902 | 40% | 0.397 | S | S | * | . | trans | -84.1 | 23.5 | 177.2 | -67.8 | -127.8 | -6.3 | 0 | 0 | 114.3 | K26 | K26-Q32 VanDerWaalsContact NZ-C 3.28Š| ||
| 33 | W | 68 | Low | 67.1 | Low | 145 Ų | 145 | 81.9 Ų | 81.9 | 55% | 0.549 | 40% | 0.404 | S | S | . | . | trans | -69.2 | 152.3 | -175.6 | -74.2 | 20 | 0 | 0 | 0 | 112.8 | K26 I31 L37 | K26-W33 WeakPolarHBondContact CE-O 3.31Å; K26-W33 PolarHBondContact NZ-O 2.9Å; I31-W33 HydrophobicContact CG2-CB 3.7Å; I31-W33 HydrophobicContact CG2-CD2 3.86Å; I31-W33 HydrophobicContact CG2-CG 3.28Å; I31-W33 PolarHBondContact O-N 3.27Å; W33-L37 HydrophobicContact CD2-CD2 4.09Å; W33-L37 HydrophobicContact CE3-CB 4.23Å; W33-L37 HydrophobicContact CE3-CD2 3.27Å; W33-L37 HydrophobicContact CE3-CG 4.34Å; W33-L37 HydrophobicContact CH2-CD2 4.28Å; W33-L37 HydrophobicContact CZ3-CD2 3.4Å | ||
| 34 | N | 65.6 | Low | 67.6 | Low | 121 Ų | 121 | 85 Ų | 85 | 65% | 0.647 | 42% | 0.42 | S | S | * | . | trans | -65.1 | 139.9 | 179.3 | -149.4 | -5.4 | 0 | 0 | 0 | 110.2 | F36 L37 | N34-F36 PolarHBondContact O-N 3.45Å; N34-F36 VanDerWaalsContact O-N 3.09Å; N34-L37 PolarHBondContact O-N 2.91Å | ||
| 35 | W | 65.6 | Low | 67.9 | Low | 65 Ų | 65 | 83.3 Ų | 83.3 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.8 | -31.2 | -177.8 | -73.1 | 95.2 | 0 | 0 | 0 | 112.3 | L23 K26 L37 I38 F39 C95 Q99 | L23-W35 HydrophobicContact CD1-CZ3 3.91Å; K26-W35 HydrophobicContact CG-CH2 4.09Å; K26-W35 HydrophobicContact CG-CZ2 4.32Å; K26-W35 HydrophobicContact CG-CZ3 4.34Å; W35-L37 PolarHBondContact O-N 3.02Å; W35-I38 HydrophobicContact CE3-CD1 4.01Å; W35-I38 HydrophobicContact CZ3-CD1 4.34Å; W35-I38 PolarHBondContact O-N 3.15Å; W35-I38 VanDerWaalsContact O-N 3.13Å; W35-F39 VanDerWaalsContact O-CD2 3.24Å; W35-F39 WeakPolarHBondContact O-CD2 3.48Å; W35-F39 PolarHBondContact O-N 2.88Å; W35-C95 HydrophobicContact CZ3-CB 4.27Å; W35-Q99 HydrophobicContact CZ2-CG 4.16Å |
| 36 | F | 64.4 | Low | 68.1 | Low | 127 Ų | 127 | 80 Ų | 80 | 56% | 0.557 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -55.8 | -35.7 | 175 | -145.1 | -92 | 0 | 0 | 0 | 113.6 | N34 F39 L40 | N34-F36 PolarHBondContact O-N 3.45Å; N34-F36 VanDerWaalsContact O-N 3.09Å; F36-F39 PolarHBondContact O-N 3.29Å; F36-L40 PolarHBondContact O-N 3.42Å |
| 37 | L | 70.4 | Confident | 68.6 | Low | 77 Ų | 77 | 82.1 Ų | 82.1 | 40% | 0.403 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -72.3 | -32.1 | 179.5 | -116.1 | 76.2 | 0 | 0 | 0 | 112.7 | W33 N34 W35 F39 L40 | W33-L37 HydrophobicContact CD2-CD2 4.09Å; W33-L37 HydrophobicContact CE3-CB 4.23Å; W33-L37 HydrophobicContact CE3-CD2 3.27Å; W33-L37 HydrophobicContact CE3-CG 4.34Å; W33-L37 HydrophobicContact CH2-CD2 4.28Å; W33-L37 HydrophobicContact CZ3-CD2 3.4Å; N34-L37 PolarHBondContact O-N 2.91Å; W35-L37 PolarHBondContact O-N 3.02Å; L37-F39 VanDerWaalsContact C-N 3.3Å; L37-L40 VanDerWaalsContact O-CB 3.27Å; L37-L40 WeakPolarHBondContact O-CB 3.24Å; L37-L40 PolarHBondContact O-N 2.88Å |
| 38 | I | 69 | Low | 69.5 | Low | 8 Ų | 8 | 81.8 Ų | 81.8 | 4% | 0.041 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69 | -36.1 | 176.4 | -58.8 | 168.1 | 0 | 0 | 0 | 109.6 | F19 M22 L23 K26 W35 P41 | F19-I38 HydrophobicContact CD2-CG2 4.25Å; F19-I38 VanDerWaalsContact CD2-O 3.24Å; F19-I38 WeakPolarHBondContact CD2-O 3.15Å; F19-I38 HydrophobicContact CE2-CG2 3.95Å; M22-I38 HydrophobicContact CB-CG2 4.21Å; L23-I38 HydrophobicContact CB-CG2 4.37Å; L23-I38 HydrophobicContact CD1-CG2 4.42Å; K26-I38 HydrophobicContact CB-CD1 3.56Å; K26-I38 HydrophobicContact CD-CD1 3.87Å; K26-I38 HydrophobicContact CG-CD1 3.43Å; K26-I38 VanDerWaalsContact CG-CD1 3.43Å; W35-I38 HydrophobicContact CE3-CD1 4.01Å; W35-I38 HydrophobicContact CZ3-CD1 4.34Å; W35-I38 PolarHBondContact O-N 3.15Å; W35-I38 VanDerWaalsContact O-N 3.13Å; I38-P41 WeakPolarHBondContact O-CD 3.45Å; I38-P41 WeakPolarHBondContact O-CG 3.44Å |
| 39 | F | 68.8 | Low | 69.7 | Low | 22 Ų | 22 | 79.9 Ų | 79.9 | 10% | 0.096 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -80.8 | -15.8 | 177.8 | -76.2 | -73.8 | 0 | 0 | 0 | 114 | F19 W35 F36 L37 V42 W43 C91 L92 | F19-F39 AromaticContact CE2-CD1 3.53Å; F19-F39 HydrophobicContact CE2-CD1 3.53Å; F19-F39 AromaticContact CE2-CE1 3.63Å; F19-F39 HydrophobicContact CE2-CE1 3.63Å; F19-F39 HydrophobicContact CE2-CG 4.16Å; F19-F39 HydrophobicContact CE2-CZ 4.33Å; F19-F39 AromaticContact CZ-CD1 3.93Å; F19-F39 HydrophobicContact CZ-CD1 3.93Å; F19-F39 AromaticContact CZ-CE1 3.53Å; F19-F39 HydrophobicContact CZ-CE1 3.53Å; F19-F39 HydrophobicContact CZ-CZ 4.13Å; W35-F39 VanDerWaalsContact O-CD2 3.24Å; W35-F39 WeakPolarHBondContact O-CD2 3.48Å; W35-F39 PolarHBondContact O-N 2.88Å; F36-F39 PolarHBondContact O-N 3.29Å; L37-F39 VanDerWaalsContact C-N 3.3Å; F39-V42 WeakPolarHBondContact O-CA 3.46Å; F39-V42 WeakPolarHBondContact O-CB 3.18Å; F39-V42 PolarHBondContact O-N 3.24Å; F39-W43 VanDerWaalsContact O-CD1 3.3Å; F39-W43 PolarHBondContact O-N 3.25Å; F39-C91 HydrophobicContact CE1-CB 4.1Å; F39-L92 HydrophobicContact CE2-CD2 4.5Å; F39-L92 HydrophobicContact CZ-CD2 4.11Å |
| 40 | L | 78.2 | Confident | 70.3 | Confident | 82 Ų | 82 | 78 Ų | 78 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -45.9 | -49.4 | 179.3 | -165 | 111.7 | 0 | 0 | 0 | 114.6 | F36 L37 V42 W43 I44 | F36-L40 PolarHBondContact O-N 3.42Å; L37-L40 VanDerWaalsContact O-CB 3.27Å; L37-L40 WeakPolarHBondContact O-CB 3.24Å; L37-L40 PolarHBondContact O-N 2.88Å; L40-V42 VanDerWaalsContact C-N 3.26Å; L40-V42 PolarHBondContact O-N 3.13Å; L40-W43 PolarHBondContact O-N 3.09Å; L40-I44 HydrophobicContact CD2-CD1 3.83Å; L40-I44 HydrophobicContact CG-CD1 4.06Å; L40-I44 WeakPolarHBondContact O-CG1 3.32Å; L40-I44 PolarHBondContact O-N 3.39Å |
| 41 | P | 69.7 | Low | 71.3 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.5 | -33.3 | 176.1 | 18.4 | -31.2 | 0 | 0 | 0 | 113.9 | F15 I38 F45 | F15-P41 HydrophobicContact CD1-CB 3.8Å; F15-P41 HydrophobicContact CE1-CB 4.15Å; I38-P41 WeakPolarHBondContact O-CD 3.45Å; I38-P41 WeakPolarHBondContact O-CG 3.44Å; P41-F45 WeakPolarHBondContact O-CB 3.34Å; P41-F45 PolarHBondContact O-N 3.47Å |
| 42 | V | 72.3 | Confident | 71.9 | Confident | 20 Ų | 20 | 75.9 Ų | 75.9 | 12% | 0.121 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.1 | -46.6 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | F19 F39 L40 I44 F45 D46 L88 | F19-V42 HydrophobicContact CB-CG2 4.14Å; F19-V42 HydrophobicContact CD1-CG2 4.43Å; F19-V42 HydrophobicContact CD2-CG2 3.52Å; F19-V42 HydrophobicContact CE2-CG2 4.02Å; F19-V42 HydrophobicContact CG-CG2 3.76Å; F39-V42 WeakPolarHBondContact O-CA 3.46Å; F39-V42 WeakPolarHBondContact O-CB 3.18Å; F39-V42 PolarHBondContact O-N 3.24Å; L40-V42 VanDerWaalsContact C-N 3.26Å; L40-V42 PolarHBondContact O-N 3.13Å; V42-I44 VanDerWaalsContact C-N 3.31Å; V42-I44 PolarHBondContact O-N 2.79Å; V42-F45 PolarHBondContact O-N 3.44Å; V42-F45 VanDerWaalsContact O-N 3.13Å; V42-D46 WeakPolarHBondContact O-CB 3.48Å; V42-D46 PolarHBondContact O-N 2.92Å; V42-D46 VanDerWaalsContact O-OD2 3.09Å; V42-L88 HydrophobicContact CG1-CD2 3.95Å |
| 43 | W | 71.9 | Confident | 72.2 | Confident | 143 Ų | 143 | 68.2 Ų | 68.2 | 54% | 0.542 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 178.5 | -84.1 | 79.6 | 0 | 0 | 0 | 112.7 | F39 L40 T47 | F39-W43 VanDerWaalsContact O-CD1 3.3Å; F39-W43 PolarHBondContact O-N 3.25Å; L40-W43 PolarHBondContact O-N 3.09Å; W43-T47 WeakPolarHBondContact O-CB 3.47Å; W43-T47 PolarHBondContact O-N 2.85Å; W43-T47 PolarHBondContact O-OG1 2.95Å |
| 44 | I | 77.8 | Confident | 72.5 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 177.5 | -67.4 | 171.1 | 0 | 0 | 0 | 110.4 | L40 V42 T47 I48 | L40-I44 HydrophobicContact CD2-CD1 3.83Å; L40-I44 HydrophobicContact CG-CD1 4.06Å; L40-I44 WeakPolarHBondContact O-CG1 3.32Å; L40-I44 PolarHBondContact O-N 3.39Å; V42-I44 VanDerWaalsContact C-N 3.31Å; V42-I44 PolarHBondContact O-N 2.79Å; I44-T47 WeakPolarHBondContact CA-OG1 3.34Å; I44-T47 PolarHBondContact O-N 3.12Å; I44-T47 PolarHBondContact O-OG1 2.85Å; I44-I48 HydrophobicContact CG2-CD1 3.76Å; I44-I48 WeakPolarHBondContact O-CD1 3.23Å; I44-I48 WeakPolarHBondContact O-CG1 3.43Å; I44-I48 PolarHBondContact O-N 3Å |
| 45 | F | 73.3 | Confident | 73 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 179.6 | -174.3 | -98.8 | 0 | 0 | 0 | 112.1 | L11 S12 F15 P41 V42 I48 L49 | L11-F45 HydrophobicContact CD2-CE2 4.32Å; S12-F45 WeakPolarHBondContact OG-CZ 3.3Å; F15-F45 HydrophobicContact CD2-CD2 4.29Å; F15-F45 HydrophobicContact CG-CD2 4.45Å; P41-F45 WeakPolarHBondContact O-CB 3.34Å; P41-F45 PolarHBondContact O-N 3.47Å; V42-F45 PolarHBondContact O-N 3.44Å; V42-F45 VanDerWaalsContact O-N 3.13Å; F45-I48 PolarHBondContact O-N 2.94Å; F45-L49 HydrophobicContact CD1-CD1 3.94Å; F45-L49 HydrophobicContact CD1-CG 4.44Å; F45-L49 HydrophobicContact CE1-CD1 3.34Å; F45-L49 HydrophobicContact CE1-CG 3.98Å; F45-L49 HydrophobicContact CZ-CD1 3.86Å; F45-L49 HydrophobicContact CZ-CD2 4.35Å; F45-L49 HydrophobicContact CZ-CG 4.11Å; F45-L49 PolarHBondContact O-N 2.84Å |
| 46 | D | 72.4 | Confident | 73.1 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60 | -47 | 176.2 | -81.6 | -133.7 | 0 | 0 | 0 | 112.1 | V42 I48 L49 I50 L84 | V42-D46 WeakPolarHBondContact O-CB 3.48Å; V42-D46 PolarHBondContact O-N 2.92Å; V42-D46 VanDerWaalsContact O-OD2 3.09Å; D46-I48 VanDerWaalsContact C-N 3.35Å; D46-I48 PolarHBondContact O-N 3.26Å; D46-L49 PolarHBondContact O-N 2.95Å; D46-I50 WeakPolarHBondContact O-CG1 3.4Å; D46-I50 PolarHBondContact O-N 3.43Å; D46-L84 HydrophobicContact CB-CD1 4.29Å; D46-L84 HydrophobicContact CB-CD2 4.27Å; D46-L84 WeakPolarHBondContact OD1-CD1 3.41Å; D46-L84 VanDerWaalsContact OD1-CD2 3.24Å; D46-L84 WeakPolarHBondContact OD1-CD2 3.45Å; D46-L84 WeakPolarHBondContact OD1-CG 3.3Å |
| 47 | T | 77.7 | Confident | 73.1 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.8 | 34 | 0 | 0 | 0 | 0 | 112.3 | W43 I44 I50 L51 | W43-T47 WeakPolarHBondContact O-CB 3.47Å; W43-T47 PolarHBondContact O-N 2.85Å; W43-T47 PolarHBondContact O-OG1 2.95Å; I44-T47 WeakPolarHBondContact CA-OG1 3.34Å; I44-T47 PolarHBondContact O-N 3.12Å; I44-T47 PolarHBondContact O-OG1 2.85Å; T47-I50 PolarHBondContact O-N 3.44Å; T47-L51 VanDerWaalsContact O-CB 3.25Å; T47-L51 WeakPolarHBondContact O-CB 3.45Å; T47-L51 PolarHBondContact O-N 2.94Å |
| 48 | I | 79.7 | Confident | 73.1 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 40% | 0.4 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 175.4 | -69.6 | 166.1 | 0 | 0 | 0 | 111.1 | I44 F45 D46 L51 M52 | I44-I48 HydrophobicContact CG2-CD1 3.76Å; I44-I48 WeakPolarHBondContact O-CD1 3.23Å; I44-I48 WeakPolarHBondContact O-CG1 3.43Å; I44-I48 PolarHBondContact O-N 3Å; F45-I48 PolarHBondContact O-N 2.94Å; D46-I48 VanDerWaalsContact C-N 3.35Å; D46-I48 PolarHBondContact O-N 3.26Å; I48-L51 PolarHBondContact O-N 3.32Å; I48-M52 HydrophobicContact CG2-CE 4.01Å; I48-M52 WeakPolarHBondContact O-CG 2.96Å; I48-M52 PolarHBondContact O-N 3.42Å |
| 49 | L | 73.3 | Confident | 73 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 35% | 0.346 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 177.5 | -76.9 | 179.6 | 0 | 0 | 0 | 112 | F45 D46 L51 M52 Q53 | F45-L49 HydrophobicContact CD1-CD1 3.94Å; F45-L49 HydrophobicContact CD1-CG 4.44Å; F45-L49 HydrophobicContact CE1-CD1 3.34Å; F45-L49 HydrophobicContact CE1-CG 3.98Å; F45-L49 HydrophobicContact CZ-CD1 3.86Å; F45-L49 HydrophobicContact CZ-CD2 4.35Å; F45-L49 HydrophobicContact CZ-CG 4.11Å; F45-L49 PolarHBondContact O-N 2.84Å; D46-L49 PolarHBondContact O-N 2.95Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 3.44Å; L49-M52 PolarHBondContact O-N 2.92Å; L49-Q53 WeakPolarHBondContact O-CG 3.38Å; L49-Q53 PolarHBondContact O-N 3.36Å |
| 50 | I | 74.4 | Confident | 72.5 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 35% | 0.349 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 176.9 | -67.8 | 168.3 | 0 | 0 | 0 | 110.1 | D46 T47 M52 Q53 I54 L84 | D46-I50 WeakPolarHBondContact O-CG1 3.4Å; D46-I50 PolarHBondContact O-N 3.43Å; T47-I50 PolarHBondContact O-N 3.44Å; I50-M52 PolarHBondContact O-N 3.44Å; I50-Q53 WeakPolarHBondContact O-CB 2.94Å; I50-Q53 PolarHBondContact O-N 3.05Å; I50-I54 HydrophobicContact CG2-CD1 3.72Å; I50-I54 HydrophobicContact CG2-CG1 4.38Å; I50-I54 WeakPolarHBondContact O-CG1 3.38Å; I50-I54 PolarHBondContact O-N 3.02Å; I50-L84 HydrophobicContact CD1-CD2 4.05Å; I50-L84 HydrophobicContact CG1-CD2 4.41Å |
| 51 | L | 80.5 | Confident | 71.4 | Confident | 106 Ų | 106 | 72.6 Ų | 72.6 | 56% | 0.555 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 178.8 | -172.9 | 66.5 | 0 | 0 | 0 | 111.7 | T47 I48 L49 Q53 I54 V55 | T47-L51 VanDerWaalsContact O-CB 3.25Å; T47-L51 WeakPolarHBondContact O-CB 3.45Å; T47-L51 PolarHBondContact O-N 2.94Å; I48-L51 PolarHBondContact O-N 3.32Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 3.44Å; L51-Q53 VanDerWaalsContact C-N 3.31Å; L51-Q53 PolarHBondContact O-N 3.39Å; L51-I54 PolarHBondContact O-N 2.96Å; L51-V55 HydrophobicContact CG-CG2 4.44Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.24Å; L51-V55 PolarHBondContact O-N 2.85Å |
| 52 | M | 75.2 | Confident | 70.9 | Confident | 67 Ų | 67 | 80.2 Ų | 80.2 | 33% | 0.33 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 175.2 | -76.7 | -164.2 | -175.7 | 0 | 0 | 112 | R8 I48 L49 I50 E56 | R8-M52 PolarHBondContact NH2-SD 2.99Å; R8-M52 VanDerWaalsContact NH2-SD 3.41Å; I48-M52 HydrophobicContact CG2-CE 4.01Å; I48-M52 WeakPolarHBondContact O-CG 2.96Å; I48-M52 PolarHBondContact O-N 3.42Å; L49-M52 PolarHBondContact O-N 2.92Å; I50-M52 PolarHBondContact O-N 3.44Å; M52-E56 WeakPolarHBondContact O-CB 3.09Å; M52-E56 PolarHBondContact O-N 3.35Å |
| 53 | Q | 68.6 | Low | 69.9 | Low | 33 Ų | 33 | 85.3 Ų | 85.3 | 15% | 0.154 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 175 | -69.6 | -61.9 | -69.7 | 0 | 0 | 111.7 | L49 I50 L51 V55 E56 M57 | L49-Q53 WeakPolarHBondContact O-CG 3.38Å; L49-Q53 PolarHBondContact O-N 3.36Å; I50-Q53 WeakPolarHBondContact O-CB 2.94Å; I50-Q53 PolarHBondContact O-N 3.05Å; L51-Q53 VanDerWaalsContact C-N 3.31Å; L51-Q53 PolarHBondContact O-N 3.39Å; Q53-V55 PolarHBondContact O-N 3.17Å; Q53-E56 PolarHBondContact O-N 3.41Å; Q53-M57 WeakPolarHBondContact O-CG 3.35Å; Q53-M57 PolarHBondContact O-N 2.91Å |
| 54 | I | 73.5 | Confident | 69.2 | Low | 70 Ų | 70 | 85.6 Ų | 85.6 | 36% | 0.359 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 179.2 | -67.5 | 167.8 | 0 | 0 | 0 | 111 | I50 L51 E56 M57 A58 | I50-I54 HydrophobicContact CG2-CD1 3.72Å; I50-I54 HydrophobicContact CG2-CG1 4.38Å; I50-I54 WeakPolarHBondContact O-CG1 3.38Å; I50-I54 PolarHBondContact O-N 3.02Å; L51-I54 PolarHBondContact O-N 2.96Å; I54-E56 VanDerWaalsContact C-N 3.34Å; I54-E56 PolarHBondContact O-N 3.41Å; I54-M57 PolarHBondContact O-N 3.35Å; I54-A58 WeakPolarHBondContact O-CB 3.24Å; I54-A58 PolarHBondContact O-N 2.96Å |
| 55 | V | 76.1 | Confident | 68.1 | Low | 92 Ų | 92 | 90.1 Ų | 90.1 | 56% | 0.558 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.3 | -38.9 | 178.2 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L51 Q53 M57 A58 G59 | L51-V55 HydrophobicContact CG-CG2 4.44Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.24Å; L51-V55 PolarHBondContact O-N 2.85Å; Q53-V55 PolarHBondContact O-N 3.17Å; V55-M57 VanDerWaalsContact C-N 3.33Å; V55-A58 PolarHBondContact O-N 3.29Å; V55-G59 PolarHBondContact O-N 3.21Å |
| 56 | E | 69 | Low | 67.6 | Low | 111 Ų | 111 | 93.3 Ų | 93.3 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | 175.8 | -163.6 | 167.2 | 179.2 | 0 | 0 | 111.7 | M52 Q53 I54 | M52-E56 WeakPolarHBondContact O-CB 3.09Å; M52-E56 PolarHBondContact O-N 3.35Å; Q53-E56 PolarHBondContact O-N 3.41Å; I54-E56 VanDerWaalsContact C-N 3.34Å; I54-E56 PolarHBondContact O-N 3.41Å |
| 57 | M | 63.4 | Low | 66.9 | Low | 45 Ų | 45 | 97 Ų | 97 | 22% | 0.222 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -69.7 | -44.8 | 171.6 | -69.1 | -172.2 | -172.9 | 0 | 0 | 112.4 | Q53 I54 V55 G59 R60 S73 R77 | Q53-M57 WeakPolarHBondContact O-CG 3.35Å; Q53-M57 PolarHBondContact O-N 2.91Å; I54-M57 PolarHBondContact O-N 3.35Å; V55-M57 VanDerWaalsContact C-N 3.33Å; M57-G59 VanDerWaalsContact C-N 3.29Å; M57-G59 PolarHBondContact O-N 2.88Å; M57-R60 WeakPolarHBondContact O-CB 3.43Å; M57-R60 PolarHBondContact O-N 3.26Å; M57-S73 WeakPolarHBondContact CE-OG 3.33Å; M57-R77 HydrophobicContact CE-CB 4.09Å; M57-R77 HydrophobicContact CE-CG 4.22Å |
| 58 | A | 70.3 | Confident | 66 | Low | 60 Ų | 60 | 102.9 Ų | 102.9 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -33.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | I54 V55 R60 C61 | I54-A58 WeakPolarHBondContact O-CB 3.24Å; I54-A58 PolarHBondContact O-N 2.96Å; V55-A58 PolarHBondContact O-N 3.29Å; A58-R60 PolarHBondContact O-N 2.89Å; A58-C61 WeakPolarHBondContact O-CB 3.38Å; A58-C61 PolarHBondContact O-N 3.06Å |
| 59 | G | 67.4 | Low | 65 | Low | 63 Ų | 63 | 103 Ų | 103 | 65% | 0.649 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V55 M57 | V55-G59 PolarHBondContact O-N 3.21Å; M57-G59 VanDerWaalsContact C-N 3.29Å; M57-G59 PolarHBondContact O-N 2.88Å |
| 60 | R | 58.3 | Low | 64.3 | Low | 186 Ų | 186 | 105.2 Ų | 105.2 | 70% | 0.702 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -7.9 | 172.7 | -76.3 | -89.2 | -166.7 | 153.6 | 4.7 | 113.1 | M57 A58 K62 D69 | M57-R60 WeakPolarHBondContact O-CB 3.43Å; M57-R60 PolarHBondContact O-N 3.26Å; A58-R60 PolarHBondContact O-N 2.89Å; R60-K62 PolarHBondContact O-N 3.03Å; R60-D69 IonicContact NH1-OD2 3.6Å |
| 61 | C | 54.7 | Low | 63.5 | Low | 111 Ų | 111 | 108.2 Ų | 108.2 | 75% | 0.75 | 56% | 0.563 | S | S | * | * | trans | -70.9 | 22.9 | 173 | -63.9 | 0 | 0 | 0 | 0 | 114.1 | A58 | A58-C61 WeakPolarHBondContact O-CB 3.38Å; A58-C61 PolarHBondContact O-N 3.06Å | ||
| 62 | K | 58.4 | Low | 62.5 | Low | 175 Ų | 175 | 110.2 Ų | 110.2 | 76% | 0.761 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -74.9 | 131.8 | 161.4 | -161 | 166.8 | 175 | 176.6 | 0 | 106 | R60 D64 | R60-K62 PolarHBondContact O-N 3.03Å; K62-D64 PolarHBondContact O-N 3.4Å |
| 63 | P | 52.9 | Low | 61.8 | Low | 127 Ų | 127 | 108.9 Ų | 108.9 | 83% | 0.825 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -77 | 67.6 | -157.7 | 33 | -38.2 | 0 | 0 | 0 | 112.8 | ||
| 64 | D | 55.8 | Low | 61.4 | Low | 148 Ų | 148 | 111.8 Ų | 111.8 | 79% | 0.791 | 58% | 0.584 | S | S | * | * | trans | -115.5 | 81.8 | 160.6 | -152 | -103.7 | 0 | 0 | 0 | 105.6 | K62 D66 | K62-D64 PolarHBondContact O-N 3.4Å; D64-D66 PolarHBondContact O-N 2.98Å; D64-D66 VanDerWaalsContact O-N 3.14Å | ||
| 65 | F | 55.9 | Low | 61 | Low | 172 Ų | 172 | 111.7 Ų | 111.7 | 75% | 0.754 | 58% | 0.582 | S | S | * | * | trans | -84.8 | 82.4 | -169 | -166.9 | -95.6 | 0 | 0 | 0 | 109.1 | P67 | F65-P67 WeakPolarHBondContact O-CD 3.45Š| ||
| 66 | D | 61.6 | Low | 60.3 | Low | 87 Ų | 87 | 113.4 Ų | 113.4 | 47% | 0.465 | 58% | 0.578 | S | S | . | * | trans | -95.8 | 111 | 174.2 | -156.1 | -45.9 | 0 | 0 | 0 | 110 | D64 R68 D69 | D64-D66 PolarHBondContact O-N 2.98Å; D64-D66 VanDerWaalsContact O-N 3.14Å; D66-R68 PolarHBondContact O-N 2.99Å; D66-R68 PolarHBondContact OD1-N 3.48Å; D66-D69 PolarHBondContact O-N 3.5Å; D66-D69 VanDerWaalsContact O-N 3.14Å | ||
| 67 | P | 59.2 | Low | 60 | Low | 93 Ų | 93 | 113.4 Ų | 113.4 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.1 | -14.2 | -174.5 | 22.7 | -31.8 | 0 | 0 | 0 | 114 | F65 | F65-P67 WeakPolarHBondContact O-CD 3.45Å |
| 68 | R | 58.4 | Low | 60.1 | Low | 202 Ų | 202 | 116.4 Ų | 116.4 | 76% | 0.762 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.4 | -21.6 | 175.9 | -85.2 | -179.9 | 168.8 | -159.8 | -4.3 | 114.4 | D66 | D66-R68 PolarHBondContact O-N 2.99Å; D66-R68 PolarHBondContact OD1-N 3.48Å |
| 69 | D | 58.4 | Low | 59.8 | Low | 81 Ų | 81 | 118.6 Ų | 118.6 | 43% | 0.433 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -83.4 | -24.9 | -179.4 | -103.9 | -0.8 | 0 | 0 | 0 | 112.4 | R60 D66 S73 | R60-D69 IonicContact NH1-OD2 3.6Å; D66-D69 PolarHBondContact O-N 3.5Å; D66-D69 VanDerWaalsContact O-N 3.14Å; D69-S73 PolarHBondContact O-N 3Å |
| 70 | E | 58.2 | Low | 59.7 | Low | 112 Ų | 112 | 121.1 Ų | 121.1 | 52% | 0.523 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.8 | -40.3 | 176.6 | -61.4 | -143.6 | 130.5 | 0 | 0 | 112.1 | K72 S73 V74 | E70-K72 VanDerWaalsContact C-N 3.34Å; E70-K72 PolarHBondContact O-N 3.35Å; E70-S73 WeakPolarHBondContact O-CB 3.27Å; E70-S73 PolarHBondContact O-N 3.48Å; E70-S73 VanDerWaalsContact O-N 3.15Å; E70-V74 VanDerWaalsContact O-CG2 3.32Å; E70-V74 WeakPolarHBondContact O-CG2 3.31Å; E70-V74 PolarHBondContact O-N 2.85Å |
| 71 | E | 58.8 | Low | 59.8 | Low | 132 Ų | 132 | 116.3 Ų | 116.3 | 62% | 0.617 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.4 | -39.6 | -177.7 | -155.1 | -175.5 | 173.5 | 0 | 0 | 111.9 | V74 K75 | E71-V74 PolarHBondContact O-N 2.98Å; E71-K75 PolarHBondContact O-N 2.99Å |
| 72 | K | 57.9 | Low | 60.2 | Low | 147 Ų | 147 | 112.7 Ų | 112.7 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.4 | -38 | 174.8 | -69.2 | 177.5 | -176.8 | 168.5 | 0 | 111.9 | E70 R76 | E70-K72 VanDerWaalsContact C-N 3.34Å; E70-K72 PolarHBondContact O-N 3.35Å; K72-R76 VanDerWaalsContact O-CB 3.31Å; K72-R76 WeakPolarHBondContact O-CB 3.35Å; K72-R76 PolarHBondContact O-N 2.77Å |
| 73 | S | 61.3 | Low | 60.6 | Low | 40 Ų | 40 | 106.5 Ų | 106.5 | 28% | 0.28 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | M57 D69 E70 R76 R77 | M57-S73 WeakPolarHBondContact CE-OG 3.33Å; D69-S73 PolarHBondContact O-N 3Å; E70-S73 WeakPolarHBondContact O-CB 3.27Å; E70-S73 PolarHBondContact O-N 3.48Å; E70-S73 VanDerWaalsContact O-N 3.15Å; S73-R76 PolarHBondContact O-N 3.48Å; S73-R77 WeakPolarHBondContact O-CB 3.41Å; S73-R77 PolarHBondContact O-N 3.03Å |
| 74 | V | 59.2 | Low | 61.1 | Low | 93 Ų | 93 | 101.8 Ų | 101.8 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.9 | -44.7 | 179.3 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | E70 E71 R76 R77 L78 | E70-V74 VanDerWaalsContact O-CG2 3.32Å; E70-V74 WeakPolarHBondContact O-CG2 3.31Å; E70-V74 PolarHBondContact O-N 2.85Å; E71-V74 PolarHBondContact O-N 2.98Å; V74-R76 VanDerWaalsContact C-N 3.32Å; V74-R76 PolarHBondContact O-N 3.01Å; V74-R77 WeakPolarHBondContact O-CB 3.39Å; V74-R77 PolarHBondContact O-N 3.48Å; V74-L78 WeakPolarHBondContact O-CB 3.42Å; V74-L78 PolarHBondContact O-N 2.89Å |
| 75 | K | 65.1 | Low | 61.3 | Low | 69 Ų | 69 | 100.9 Ų | 100.9 | 30% | 0.3 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 174.7 | -80.4 | -172.2 | 174.1 | -150.3 | 0 | 112.3 | E71 R77 L78 W79 E123 | E71-K75 PolarHBondContact O-N 2.99Å; K75-R77 VanDerWaalsContact C-N 3.35Å; K75-L78 PolarHBondContact O-N 3.35Å; K75-W79 WeakPolarHBondContact O-CB 3.31Å; K75-W79 PolarHBondContact O-N 2.82Å; K75-E123 WeakPolarHBondContact CD-OE2 3.39Å; K75-E123 WeakPolarHBondContact CE-OE1 3.28Å; K75-E123 WeakPolarHBondContact CE-OE2 3.25Å; K75-E123 IonicContact NZ-OE1 3.48Å; K75-E123 PolarHBondContact NZ-OE1 2.96Å; K75-E123 IonicContact NZ-OE2 2.77Å; K75-E123 PolarHBondContact NZ-OE2 3.5Å |
| 76 | R | 62.9 | Low | 61.6 | Low | 127 Ų | 127 | 94.1 Ų | 94.1 | 48% | 0.479 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 177 | -165.2 | 174.8 | -170.1 | -136.1 | 3 | 111.4 | K72 S73 V74 W79 Y80 | K72-R76 VanDerWaalsContact O-CB 3.31Å; K72-R76 WeakPolarHBondContact O-CB 3.35Å; K72-R76 PolarHBondContact O-N 2.77Å; S73-R76 PolarHBondContact O-N 3.48Å; V74-R76 VanDerWaalsContact C-N 3.32Å; V74-R76 PolarHBondContact O-N 3.01Å; R76-W79 PolarHBondContact O-N 3.18Å; R76-Y80 HydrophobicContact CG-CD2 3.91Å; R76-Y80 HydrophobicContact CG-CE2 3.76Å; R76-Y80 WeakPolarHBondContact O-CD2 3.45Å; R76-Y80 PolarHBondContact O-N 3.4Å |
| 77 | R | 61.3 | Low | 61.8 | Low | 112 Ų | 112 | 94.5 Ų | 94.5 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.9 | -162.1 | 175.7 | -173 | 173.3 | -1.1 | 111.6 | M57 S73 V74 K75 Y80 L81 | M57-R77 HydrophobicContact CE-CB 4.09Å; M57-R77 HydrophobicContact CE-CG 4.22Å; S73-R77 WeakPolarHBondContact O-CB 3.41Å; S73-R77 PolarHBondContact O-N 3.03Å; V74-R77 WeakPolarHBondContact O-CB 3.39Å; V74-R77 PolarHBondContact O-N 3.48Å; K75-R77 VanDerWaalsContact C-N 3.35Å; R77-Y80 PolarHBondContact O-N 2.9Å; R77-L81 HydrophobicContact CG-CD1 4.34Å; R77-L81 WeakPolarHBondContact O-CB 3.46Å; R77-L81 VanDerWaalsContact O-CG 3.25Å; R77-L81 WeakPolarHBondContact O-CG 3.4Å; R77-L81 PolarHBondContact O-N 3.39Å |
| 78 | L | 65.4 | Low | 61.8 | Low | 107 Ų | 107 | 92.3 Ų | 92.3 | 56% | 0.56 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | 175.9 | -167.3 | 68.7 | 0 | 0 | 0 | 111.2 | V74 K75 L81 S82 | V74-L78 WeakPolarHBondContact O-CB 3.42Å; V74-L78 PolarHBondContact O-N 2.89Å; K75-L78 PolarHBondContact O-N 3.35Å; L78-L81 PolarHBondContact O-N 3.35Å; L78-S82 VanDerWaalsContact O-CB 3.23Å; L78-S82 WeakPolarHBondContact O-CB 3.45Å; L78-S82 PolarHBondContact O-N 2.88Å; L78-S82 PolarHBondContact O-OG 3.47Å; L78-S82 VanDerWaalsContact O-OG 3.12Å |
| 79 | W | 65.8 | Low | 61.8 | Low | 106 Ų | 106 | 84 Ų | 84 | 40% | 0.402 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 174.2 | -106.6 | 105 | 0 | 0 | 0 | 113.5 | K75 R76 S82 A83 A120 | K75-W79 WeakPolarHBondContact O-CB 3.31Å; K75-W79 PolarHBondContact O-N 2.82Å; R76-W79 PolarHBondContact O-N 3.18Å; W79-S82 WeakPolarHBondContact CA-OG 3.34Å; W79-S82 PolarHBondContact O-OG 2.92Å; W79-A83 WeakPolarHBondContact O-CB 3.32Å; W79-A83 PolarHBondContact O-N 2.88Å; W79-A120 HydrophobicContact CH2-CB 3.22Å; W79-A120 HydrophobicContact CZ2-CB 3.23Å; W79-A120 HydrophobicContact CZ3-CB 4.35Å |
| 80 | Y | 65.1 | Low | 62.1 | Low | 117 Ų | 117 | 85.7 Ų | 85.7 | 46% | 0.459 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.5 | -44.9 | 175.4 | -87.2 | -67.9 | 0 | 0 | 0 | 111.6 | R76 R77 S82 A83 L84 | R76-Y80 HydrophobicContact CG-CD2 3.91Å; R76-Y80 HydrophobicContact CG-CE2 3.76Å; R76-Y80 WeakPolarHBondContact O-CD2 3.45Å; R76-Y80 PolarHBondContact O-N 3.4Å; R77-Y80 PolarHBondContact O-N 2.9Å; Y80-S82 VanDerWaalsContact C-N 3.3Å; Y80-S82 PolarHBondContact O-N 3.15Å; Y80-A83 PolarHBondContact O-N 2.99Å; Y80-L84 VanDerWaalsContact O-CB 3.26Å; Y80-L84 WeakPolarHBondContact O-CB 3.45Å; Y80-L84 PolarHBondContact O-N 2.89Å |
| 81 | L | 59.3 | Low | 62.3 | Low | 85 Ų | 85 | 81.5 Ų | 81.5 | 45% | 0.445 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 176.5 | -75.9 | 171.4 | 0 | 0 | 0 | 111.5 | R77 L78 L84 L85 | R77-L81 HydrophobicContact CG-CD1 4.34Å; R77-L81 WeakPolarHBondContact O-CB 3.46Å; R77-L81 VanDerWaalsContact O-CG 3.25Å; R77-L81 WeakPolarHBondContact O-CG 3.4Å; R77-L81 PolarHBondContact O-N 3.39Å; L78-L81 PolarHBondContact O-N 3.35Å; L81-L84 WeakPolarHBondContact O-CB 3.41Å; L81-L84 PolarHBondContact O-N 3.43Å; L81-L85 VanDerWaalsContact O-CB 3.31Å; L81-L85 WeakPolarHBondContact O-CB 3.36Å; L81-L85 PolarHBondContact O-N 3.25Å |
| 82 | S | 64.1 | Low | 62.4 | Low | 34 Ų | 34 | 80 Ų | 80 | 24% | 0.238 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 179.1 | 70.4 | 0 | 0 | 0 | 0 | 112 | L78 W79 Y80 L84 L85 L86 L116 | L78-S82 VanDerWaalsContact O-CB 3.23Å; L78-S82 WeakPolarHBondContact O-CB 3.45Å; L78-S82 PolarHBondContact O-N 2.88Å; L78-S82 PolarHBondContact O-OG 3.47Å; L78-S82 VanDerWaalsContact O-OG 3.12Å; W79-S82 WeakPolarHBondContact CA-OG 3.34Å; W79-S82 PolarHBondContact O-OG 2.92Å; Y80-S82 VanDerWaalsContact C-N 3.3Å; Y80-S82 PolarHBondContact O-N 3.15Å; S82-L84 VanDerWaalsContact C-N 3.29Å; S82-L84 PolarHBondContact O-N 2.98Å; S82-L85 PolarHBondContact O-N 3.45Å; S82-L86 WeakPolarHBondContact O-CB 3.5Å; S82-L86 PolarHBondContact O-N 2.88Å; S82-L116 VanDerWaalsContact CB-CD1 3.43Å; S82-L116 WeakPolarHBondContact OG-CD1 3.36Å |
| 83 | A | 65.6 | Low | 62.4 | Low | 45 Ų | 45 | 75 Ų | 75 | 37% | 0.372 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.6 | -38 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W79 Y80 K87 | W79-A83 WeakPolarHBondContact O-CB 3.32Å; W79-A83 PolarHBondContact O-N 2.88Å; Y80-A83 PolarHBondContact O-N 2.99Å; A83-K87 WeakPolarHBondContact O-CB 3.21Å; A83-K87 PolarHBondContact O-N 3.47Å |
| 84 | L | 63.5 | Low | 62.3 | Low | 29 Ų | 29 | 76.3 Ų | 76.3 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.5 | -49.3 | 177.3 | -160.6 | 68.8 | 0 | 0 | 0 | 111.8 | D46 I50 Y80 L81 S82 L86 K87 L88 | D46-L84 HydrophobicContact CB-CD1 4.29Å; D46-L84 HydrophobicContact CB-CD2 4.27Å; D46-L84 WeakPolarHBondContact OD1-CD1 3.41Å; D46-L84 VanDerWaalsContact OD1-CD2 3.24Å; D46-L84 WeakPolarHBondContact OD1-CD2 3.45Å; D46-L84 WeakPolarHBondContact OD1-CG 3.3Å; I50-L84 HydrophobicContact CD1-CD2 4.05Å; I50-L84 HydrophobicContact CG1-CD2 4.41Å; Y80-L84 VanDerWaalsContact O-CB 3.26Å; Y80-L84 WeakPolarHBondContact O-CB 3.45Å; Y80-L84 PolarHBondContact O-N 2.89Å; L81-L84 WeakPolarHBondContact O-CB 3.41Å; L81-L84 PolarHBondContact O-N 3.43Å; S82-L84 VanDerWaalsContact C-N 3.29Å; S82-L84 PolarHBondContact O-N 2.98Å; L84-L86 PolarHBondContact O-N 3.13Å; L84-K87 PolarHBondContact O-N 3.03Å; L84-K87 VanDerWaalsContact O-N 3.17Å; L84-L88 WeakPolarHBondContact O-CG 3.26Å; L84-L88 PolarHBondContact O-N 3.33Å |
| 85 | L | 60.5 | Low | 62.2 | Low | 128 Ų | 128 | 72.2 Ų | 72.2 | 67% | 0.67 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.6 | -39.6 | 176.8 | -150.4 | 87 | 0 | 0 | 0 | 110.7 | L81 S82 L88 A89 | L81-L85 VanDerWaalsContact O-CB 3.31Å; L81-L85 WeakPolarHBondContact O-CB 3.36Å; L81-L85 PolarHBondContact O-N 3.25Å; S82-L85 PolarHBondContact O-N 3.45Å; L85-L88 PolarHBondContact O-N 3.48Å; L85-A89 VanDerWaalsContact O-CB 3.32Å; L85-A89 WeakPolarHBondContact O-CB 3.32Å; L85-A89 PolarHBondContact O-N 2.97Å |
| 86 | L | 62.2 | Low | 61.7 | Low | 31 Ų | 31 | 73 Ų | 73 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 177.8 | -172.4 | 65.5 | 0 | 0 | 0 | 112.1 | S82 L84 L88 A89 F90 P112 L113 L116 | S82-L86 WeakPolarHBondContact O-CB 3.5Å; S82-L86 PolarHBondContact O-N 2.88Å; L84-L86 PolarHBondContact O-N 3.13Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 3.25Å; L86-A89 PolarHBondContact O-N 2.64Å; L86-F90 WeakPolarHBondContact O-CB 3.35Å; L86-F90 PolarHBondContact O-N 3.32Å; L86-P112 HydrophobicContact CD1-CB 3.64Å; L86-P112 HydrophobicContact CD1-CG 4.16Å; L86-P112 WeakPolarHBondContact CD1-O 3.48Å; L86-L113 HydrophobicContact CD1-CB 4.28Å; L86-L113 HydrophobicContact CD2-CB 4.36Å; L86-L113 HydrophobicContact CD2-CG 4.2Å; L86-L116 HydrophobicContact CB-CD2 4.31Å; L86-L116 HydrophobicContact CD2-CB 3.91Å; L86-L116 HydrophobicContact CD2-CD2 3.31Å; L86-L116 HydrophobicContact CD2-CG 4.11Å; L86-L116 HydrophobicContact CG-CD2 4.37Å |
| 87 | K | 66.1 | Low | 61.4 | Low | 95 Ų | 95 | 71.5 Ų | 71.5 | 41% | 0.413 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 177 | -163.5 | -174.6 | -177 | -168.6 | 0 | 111.4 | A83 L84 C91 | A83-K87 WeakPolarHBondContact O-CB 3.21Å; A83-K87 PolarHBondContact O-N 3.47Å; L84-K87 PolarHBondContact O-N 3.03Å; L84-K87 VanDerWaalsContact O-N 3.17Å; K87-C91 PolarHBondContact O-N 3.49Å; K87-C91 VanDerWaalsContact O-N 3.11Å; K87-C91 PolarHBondContact O-SG 3.03Å; K87-C91 VanDerWaalsContact O-SG 3.41Å |
| 88 | L | 57.9 | Low | 61 | Low | 47 Ų | 47 | 69.4 Ų | 69.4 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 174.4 | -72 | 169.5 | 0 | 0 | 0 | 111.7 | V42 L84 L85 L86 F90 C91 L92 | V42-L88 HydrophobicContact CG1-CD2 3.95Å; L84-L88 WeakPolarHBondContact O-CG 3.26Å; L84-L88 PolarHBondContact O-N 3.33Å; L85-L88 PolarHBondContact O-N 3.48Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 3.25Å; L88-F90 PolarHBondContact O-N 3.36Å; L88-C91 PolarHBondContact O-N 3.13Å; L88-L92 WeakPolarHBondContact O-CB 3.25Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.19Å |
| 89 | A | 60.4 | Low | 60.3 | Low | 27 Ų | 27 | 69.6 Ų | 69.6 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L85 L86 L92 T93 P112 | L85-A89 VanDerWaalsContact O-CB 3.32Å; L85-A89 WeakPolarHBondContact O-CB 3.32Å; L85-A89 PolarHBondContact O-N 2.97Å; L86-A89 PolarHBondContact O-N 2.64Å; A89-L92 PolarHBondContact O-N 3.26Å; A89-T93 VanDerWaalsContact O-CB 3.3Å; A89-T93 WeakPolarHBondContact O-CB 3.27Å; A89-T93 PolarHBondContact O-N 3.15Å; A89-T93 PolarHBondContact O-OG1 2.9Å; A89-P112 HydrophobicContact CB-CG 4.46Å |
| 90 | F | 63.7 | Low | 59.7 | Low | 117 Ų | 117 | 72.4 Ų | 72.4 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 174.3 | -177.1 | -104.2 | 0 | 0 | 0 | 111.8 | L86 L88 T93 L94 | L86-F90 WeakPolarHBondContact O-CB 3.35Å; L86-F90 PolarHBondContact O-N 3.32Å; L88-F90 PolarHBondContact O-N 3.36Å; F90-T93 PolarHBondContact O-N 3.39Å; F90-L94 HydrophobicContact CD1-CD1 3.76Å; F90-L94 HydrophobicContact CD2-CD1 4.38Å; F90-L94 HydrophobicContact CE1-CD1 3.23Å; F90-L94 HydrophobicContact CE2-CD1 3.93Å; F90-L94 HydrophobicContact CG-CD1 4.31Å; F90-L94 HydrophobicContact CZ-CD1 3.33Å; F90-L94 WeakPolarHBondContact O-CB 3.35Å; F90-L94 PolarHBondContact O-N 3.05Å |
| 91 | C | 62.7 | Low | 59.1 | Low | 23 Ų | 23 | 75.4 Ų | 75.4 | 16% | 0.155 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 176.9 | -72 | 0 | 0 | 0 | 0 | 112.6 | F19 F39 K87 L88 T93 L94 C95 | F19-C91 HydrophobicContact CE1-CB 4.21Å; F19-C91 HydrophobicContact CZ-CB 4.17Å; F39-C91 HydrophobicContact CE1-CB 4.1Å; K87-C91 PolarHBondContact O-N 3.49Å; K87-C91 VanDerWaalsContact O-N 3.11Å; K87-C91 PolarHBondContact O-SG 3.03Å; K87-C91 VanDerWaalsContact O-SG 3.41Å; L88-C91 PolarHBondContact O-N 3.13Å; C91-T93 VanDerWaalsContact C-N 3.29Å; C91-T93 PolarHBondContact O-N 3.5Å; C91-L94 PolarHBondContact O-N 3.37Å; C91-C95 PolarHBondContact O-N 2.68Å |
| 92 | L | 60.2 | Low | 58.4 | Low | 102 Ų | 102 | 75.7 Ų | 75.7 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.3 | -36 | 177 | -74.1 | 168 | 0 | 0 | 0 | 112 | F39 L88 A89 C95 S96 | F39-L92 HydrophobicContact CE2-CD2 4.5Å; F39-L92 HydrophobicContact CZ-CD2 4.11Å; L88-L92 WeakPolarHBondContact O-CB 3.25Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.19Å; A89-L92 PolarHBondContact O-N 3.26Å; L92-C95 WeakPolarHBondContact O-CB 3.49Å; L92-C95 PolarHBondContact O-N 2.94Å; L92-S96 WeakPolarHBondContact O-CB 3.43Å; L92-S96 PolarHBondContact O-N 3.42Å |
| 93 | T | 57.3 | Low | 57.8 | Low | 41 Ų | 41 | 81.4 Ų | 81.4 | 25% | 0.252 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.3 | -40.3 | 178.5 | -52.1 | 0 | 0 | 0 | 0 | 111.3 | A89 F90 C91 C95 S96 R97 V109 | A89-T93 VanDerWaalsContact O-CB 3.3Å; A89-T93 WeakPolarHBondContact O-CB 3.27Å; A89-T93 PolarHBondContact O-N 3.15Å; A89-T93 PolarHBondContact O-OG1 2.9Å; F90-T93 PolarHBondContact O-N 3.39Å; C91-T93 VanDerWaalsContact C-N 3.29Å; C91-T93 PolarHBondContact O-N 3.5Å; T93-C95 VanDerWaalsContact C-N 3.34Å; T93-S96 PolarHBondContact O-N 3.23Å; T93-R97 WeakPolarHBondContact O-CB 3.42Å; T93-R97 WeakPolarHBondContact O-CG 3.43Å; T93-R97 PolarHBondContact O-N 3.27Å; T93-V109 HydrophobicContact CG2-CB 4.19Å; T93-V109 HydrophobicContact CG2-CG1 3.77Å; T93-V109 HydrophobicContact CG2-CG2 3.86Å |
| 94 | L | 60.6 | Low | 57.3 | Low | 68 Ų | 68 | 84 Ų | 84 | 36% | 0.356 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 169.9 | -108.8 | 132.6 | 0 | 0 | 0 | 111.6 | F90 C91 R97 L98 | F90-L94 HydrophobicContact CD1-CD1 3.76Å; F90-L94 HydrophobicContact CD2-CD1 4.38Å; F90-L94 HydrophobicContact CE1-CD1 3.23Å; F90-L94 HydrophobicContact CE2-CD1 3.93Å; F90-L94 HydrophobicContact CG-CD1 4.31Å; F90-L94 HydrophobicContact CZ-CD1 3.33Å; F90-L94 WeakPolarHBondContact O-CB 3.35Å; F90-L94 PolarHBondContact O-N 3.05Å; C91-L94 PolarHBondContact O-N 3.37Å; L94-R97 PolarHBondContact O-N 3.02Å; L94-L98 WeakPolarHBondContact O-CB 3.21Å; L94-L98 PolarHBondContact O-N 3.32Å |
| 95 | C | 57.1 | Low | 56.8 | Low | 7 Ų | 7 | 92 Ų | 92 | 5% | 0.047 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 173.4 | -80 | 0 | 0 | 0 | 0 | 112.3 | L23 W35 C91 L92 T93 R97 L98 Q99 | L23-C95 VanDerWaalsContact CD1-SG 3.53Å; W35-C95 HydrophobicContact CZ3-CB 4.27Å; C91-C95 PolarHBondContact O-N 2.68Å; L92-C95 WeakPolarHBondContact O-CB 3.49Å; L92-C95 PolarHBondContact O-N 2.94Å; T93-C95 VanDerWaalsContact C-N 3.34Å; C95-R97 VanDerWaalsContact C-N 3.31Å; C95-R97 PolarHBondContact O-N 2.88Å; C95-L98 PolarHBondContact O-N 3.3Å; C95-Q99 VanDerWaalsContact O-CB 3.31Å; C95-Q99 WeakPolarHBondContact O-CB 3.49Å; C95-Q99 PolarHBondContact O-N 3.42Å |
| 96 | S | 54.6 | Low | 56.4 | Low | 85 Ų | 85 | 90.6 Ų | 90.6 | 59% | 0.594 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.3 | -36.3 | -179.7 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | L92 T93 Q99 | L92-S96 WeakPolarHBondContact O-CB 3.43Å; L92-S96 PolarHBondContact O-N 3.42Å; T93-S96 PolarHBondContact O-N 3.23Å; S96-Q99 PolarHBondContact O-N 2.97Å |
| 97 | R | 55.8 | Low | 55.9 | Low | 95 Ų | 95 | 93 Ų | 93 | 36% | 0.358 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.3 | -40.8 | 174.6 | -71 | -71.8 | -103.4 | -170.6 | -13.6 | 112.7 | T93 L94 C95 Q99 T102 I104 | T93-R97 WeakPolarHBondContact O-CB 3.42Å; T93-R97 WeakPolarHBondContact O-CG 3.43Å; T93-R97 PolarHBondContact O-N 3.27Å; L94-R97 PolarHBondContact O-N 3.02Å; C95-R97 VanDerWaalsContact C-N 3.31Å; C95-R97 PolarHBondContact O-N 2.88Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.91Å; R97-T102 PolarHBondContact NH1-O 3.22Å; R97-I104 PolarHBondContact NH1-O 3.41Å; R97-I104 PolarHBondContact NH2-O 3.22Å |
| 98 | L | 53.8 | Low | 55.3 | Low | 68 Ų | 68 | 93.2 Ų | 93.2 | 36% | 0.356 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.3 | -27.8 | 177.9 | -103.9 | 56.6 | 0 | 0 | 0 | 112.6 | L27 L94 C95 | L27-L98 HydrophobicContact CB-CD2 4.36Å; L27-L98 HydrophobicContact CD1-CB 3.49Å; L27-L98 VanDerWaalsContact CD1-CB 3.49Å; L27-L98 HydrophobicContact CD1-CD2 3.58Å; L27-L98 HydrophobicContact CD1-CG 3.38Å; L27-L98 HydrophobicContact CD2-CD1 4.45Å; L27-L98 HydrophobicContact CD2-CD2 3.5Å; L27-L98 VanDerWaalsContact CD2-CD2 3.5Å; L27-L98 HydrophobicContact CD2-CG 3.55Å; L27-L98 HydrophobicContact CG-CD2 3.97Å; L27-L98 HydrophobicContact CG-CG 4.04Å; L94-L98 WeakPolarHBondContact O-CB 3.21Å; L94-L98 PolarHBondContact O-N 3.32Å; C95-L98 PolarHBondContact O-N 3.3Å |
| 99 | Q | 51.3 | Low | 55.1 | Low | 112 Ų | 112 | 92.9 Ų | 92.9 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -86.6 | -9.8 | -173.6 | -157 | 162.1 | -6.4 | 0 | 0 | 114.5 | W35 C95 S96 R97 | W35-Q99 HydrophobicContact CZ2-CG 4.16Å; C95-Q99 VanDerWaalsContact O-CB 3.31Å; C95-Q99 WeakPolarHBondContact O-CB 3.49Å; C95-Q99 PolarHBondContact O-N 3.42Å; S96-Q99 PolarHBondContact O-N 2.97Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.91Å |
| 100 | K | 53.3 | Low | 54.8 | Low | 164 Ų | 164 | 93.8 Ų | 93.8 | 71% | 0.713 | 49% | 0.491 | S | S | * | . | trans | -168.5 | 113.3 | 170.8 | -114.3 | 169.8 | -175.5 | 177.9 | 0 | 115.6 | T102 | K100-T102 VanDerWaalsContact C-N 3.29Å; K100-T102 PolarHBondContact O-N 2.93Å | ||
| 101 | L | 50.5 | Low | 54.7 | Low | 181 Ų | 181 | 91.7 Ų | 91.7 | 95% | 0.948 | 49% | 0.488 | S | S | * | . | 33.2 | 22.3 | 119.9 | -116.1 | 92 | 0 | 0 | 0 | 122.9 | |||||
| 102 | T | 46.2 | Very low | 54.3 | Low | 90 Ų | 90 | 92.9 Ų | 92.9 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | trans | -133.8 | 129.6 | -178.1 | -53 | 0 | 0 | 0 | 0 | 114.3 | R97 K100 I104 | R97-T102 PolarHBondContact NH1-O 3.22Å; K100-T102 VanDerWaalsContact C-N 3.29Å; K100-T102 PolarHBondContact O-N 2.93Å; T102-I104 HydrophobicContact CG2-CD1 4.35Å; T102-I104 HydrophobicContact CG2-CG1 4.03Å; T102-I104 PolarHBondContact O-N 2.94Å | ||
| 103 | D | 51.6 | Low | 54 | Low | 155 Ų | 155 | 92 Ų | 92 | 83% | 0.829 | 49% | 0.491 | S | S | * | . | trans | -62.2 | 56.6 | -179.7 | -142 | -62 | 0 | 0 | 0 | 113.4 | ||||
| 104 | I | 54.8 | Low | 54.1 | Low | 100 Ų | 100 | 98.9 Ų | 98.9 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | trans | -90.5 | 134.1 | 177 | -60.3 | 175 | 0 | 0 | 0 | 109 | R97 T102 | R97-I104 PolarHBondContact NH1-O 3.41Å; R97-I104 PolarHBondContact NH2-O 3.22Å; T102-I104 HydrophobicContact CG2-CD1 4.35Å; T102-I104 HydrophobicContact CG2-CG1 4.03Å; T102-I104 PolarHBondContact O-N 2.94Å | ||
| 105 | W | 51.7 | Low | 54.3 | Low | 195 Ų | 195 | 100.5 Ų | 100.5 | 74% | 0.739 | 52% | 0.524 | S | S | * | . | trans | -65.4 | 136.8 | -175.2 | -84.2 | 43 | 0 | 0 | 0 | 112.9 | S107 V108 | W105-S107 PolarHBondContact O-N 2.88Å; W105-V108 PolarHBondContact O-N 3.48Å | ||
| 106 | V | 53.8 | Low | 54.4 | Low | 99 Ų | 99 | 102.1 Ų | 102.1 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -55.7 | -22.1 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | V108 V109 | V106-V108 PolarHBondContact O-N 3.34Å; V106-V109 VanDerWaalsContact O-CB 3.32Å; V106-V109 WeakPolarHBondContact O-CB 3.36Å; V106-V109 PolarHBondContact O-N 3.06Å |
| 107 | S | 51.4 | Low | 54.9 | Low | 81 Ų | 81 | 103.1 Ų | 103.1 | 57% | 0.566 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.1 | -31.8 | -178.7 | -62.8 | 0 | 0 | 0 | 0 | 114.6 | W105 V109 C110 | W105-S107 PolarHBondContact O-N 2.88Å; S107-V109 VanDerWaalsContact C-N 3.31Å; S107-C110 PolarHBondContact O-N 2.89Å |
| 108 | V | 52.8 | Low | 55.8 | Low | 100 Ų | 100 | 100.1 Ų | 100.1 | 61% | 0.606 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -74.1 | -27 | 177.4 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | W105 V106 C110 V111 | W105-V108 PolarHBondContact O-N 3.48Å; V106-V108 PolarHBondContact O-N 3.34Å; V108-C110 VanDerWaalsContact C-N 3.29Å; V108-C110 PolarHBondContact O-N 3.49Å; V108-V111 WeakPolarHBondContact O-CB 3.04Å; V108-V111 WeakPolarHBondContact O-CG2 3.47Å; V108-V111 PolarHBondContact O-N 3.44Å |
| 109 | V | 53.8 | Low | 56.6 | Low | 41 Ų | 41 | 98.6 Ų | 98.6 | 25% | 0.248 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -67.2 | -30.7 | 177.8 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | T93 V106 S107 | T93-V109 HydrophobicContact CG2-CB 4.19Å; T93-V109 HydrophobicContact CG2-CG1 3.77Å; T93-V109 HydrophobicContact CG2-CG2 3.86Å; V106-V109 VanDerWaalsContact O-CB 3.32Å; V106-V109 WeakPolarHBondContact O-CB 3.36Å; V106-V109 PolarHBondContact O-N 3.06Å; S107-V109 VanDerWaalsContact C-N 3.31Å |
| 110 | C | 53.8 | Low | 57.2 | Low | 46 Ų | 46 | 94 Ų | 94 | 31% | 0.311 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -12.3 | 178.4 | -64.4 | 0 | 0 | 0 | 0 | 113 | S107 V108 L113 W114 | S107-C110 PolarHBondContact O-N 2.89Å; V108-C110 VanDerWaalsContact C-N 3.29Å; V108-C110 PolarHBondContact O-N 3.49Å; C110-L113 CarbonylContact O-C 3.53Å; C110-L113 WeakPolarHBondContact O-CA 3.45Å; C110-L113 VanDerWaalsContact O-CB 3.27Å; C110-L113 WeakPolarHBondContact O-CB 3.31Å; C110-L113 PolarHBondContact O-N 3.4Å; C110-W114 PolarHBondContact O-N 2.89Å |
| 111 | V | 61.7 | Low | 58.1 | Low | 73 Ų | 73 | 92 Ų | 92 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -50.9 | -48.5 | -176.9 | 172.6 | 0 | 0 | 0 | 0 | 113.7 | V108 L113 W114 V115 | V108-V111 WeakPolarHBondContact O-CB 3.04Å; V108-V111 WeakPolarHBondContact O-CG2 3.47Å; V108-V111 PolarHBondContact O-N 3.44Å; V111-L113 PolarHBondContact O-N 3.04Å; V111-W114 PolarHBondContact O-N 3.14Å; V111-V115 HydrophobicContact CG1-CG2 4.28Å; V111-V115 WeakPolarHBondContact O-CB 3.3Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.5Å; V111-V115 PolarHBondContact O-N 3.45Å |
| 112 | P | 53.4 | Low | 59.2 | Low | 47 Ų | 47 | 89.6 Ų | 89.6 | 31% | 0.305 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -27.7 | 178.5 | 25.8 | -33.7 | 0 | 0 | 0 | 112.1 | L86 A89 L116 | L86-P112 HydrophobicContact CD1-CB 3.64Å; L86-P112 HydrophobicContact CD1-CG 4.16Å; L86-P112 WeakPolarHBondContact CD1-O 3.48Å; A89-P112 HydrophobicContact CB-CG 4.46Å; P112-L116 WeakPolarHBondContact O-CB 3.37Å; P112-L116 PolarHBondContact O-N 3.34Å |
| 113 | L | 55.4 | Low | 60.3 | Low | 85 Ų | 85 | 88.2 Ų | 88.2 | 45% | 0.445 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.6 | -39.2 | 175.8 | -163.6 | 149.2 | 0 | 0 | 0 | 111.2 | L86 C110 V111 L116 L117 | L86-L113 HydrophobicContact CD1-CB 4.28Å; L86-L113 HydrophobicContact CD2-CB 4.36Å; L86-L113 HydrophobicContact CD2-CG 4.2Å; C110-L113 CarbonylContact O-C 3.53Å; C110-L113 WeakPolarHBondContact O-CA 3.45Å; C110-L113 VanDerWaalsContact O-CB 3.27Å; C110-L113 WeakPolarHBondContact O-CB 3.31Å; C110-L113 PolarHBondContact O-N 3.4Å; V111-L113 PolarHBondContact O-N 3.04Å; L113-L116 PolarHBondContact O-N 3.35Å; L113-L117 WeakPolarHBondContact O-CB 3.19Å; L113-L117 PolarHBondContact O-N 3.38Å |
| 114 | W | 58 | Low | 61.1 | Low | 184 Ų | 184 | 85.8 Ų | 85.8 | 70% | 0.697 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.4 | -39 | 172.3 | -79.5 | 93.4 | 0 | 0 | 0 | 112.4 | C110 V111 L116 L117 G118 | C110-W114 PolarHBondContact O-N 2.89Å; V111-W114 PolarHBondContact O-N 3.14Å; W114-L116 VanDerWaalsContact C-N 3.34Å; W114-L117 PolarHBondContact O-N 3.04Å; W114-G118 PolarHBondContact O-N 3.05Å |
| 115 | V | 66.3 | Low | 62 | Low | 102 Ų | 102 | 82.9 Ų | 82.9 | 62% | 0.618 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.3 | -38.8 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | V111 G119 | V111-V115 HydrophobicContact CG1-CG2 4.28Å; V111-V115 WeakPolarHBondContact O-CB 3.3Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.5Å; V111-V115 PolarHBondContact O-N 3.45Å; V115-G119 PolarHBondContact O-N 3.48Å |
| 116 | L | 59.3 | Low | 62.9 | Low | 41 Ų | 41 | 82.3 Ų | 82.3 | 22% | 0.215 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.4 | -47 | 175.2 | -163.7 | 86.6 | 0 | 0 | 0 | 111.7 | S82 L86 P112 L113 W114 G118 G119 A120 | S82-L116 VanDerWaalsContact CB-CD1 3.43Å; S82-L116 WeakPolarHBondContact OG-CD1 3.36Å; L86-L116 HydrophobicContact CB-CD2 4.31Å; L86-L116 HydrophobicContact CD2-CB 3.91Å; L86-L116 HydrophobicContact CD2-CD2 3.31Å; L86-L116 HydrophobicContact CD2-CG 4.11Å; L86-L116 HydrophobicContact CG-CD2 4.37Å; P112-L116 WeakPolarHBondContact O-CB 3.37Å; P112-L116 PolarHBondContact O-N 3.34Å; L113-L116 PolarHBondContact O-N 3.35Å; W114-L116 VanDerWaalsContact C-N 3.34Å; L116-G118 VanDerWaalsContact C-N 3.29Å; L116-G118 PolarHBondContact O-N 2.88Å; L116-G119 PolarHBondContact O-N 3.2Å; L116-A120 WeakPolarHBondContact O-CB 3.45Å; L116-A120 PolarHBondContact O-N 3.48Å |
| 117 | L | 63.8 | Low | 63.4 | Low | 106 Ų | 106 | 80.1 Ų | 80.1 | 56% | 0.555 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 179.2 | -150.3 | 111.4 | 0 | 0 | 0 | 110.6 | L113 W114 L121 | L113-L117 WeakPolarHBondContact O-CB 3.19Å; L113-L117 PolarHBondContact O-N 3.38Å; W114-L117 PolarHBondContact O-N 3.04Å; L117-L121 WeakPolarHBondContact O-CB 3.49Å; L117-L121 PolarHBondContact O-N 3.43Å |
| 118 | G | 74 | Confident | 64.3 | Low | 32 Ų | 32 | 80.7 Ų | 80.7 | 33% | 0.33 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.6 | -48.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W114 L116 A120 L121 L122 | W114-G118 PolarHBondContact O-N 3.05Å; L116-G118 VanDerWaalsContact C-N 3.29Å; L116-G118 PolarHBondContact O-N 2.88Å; G118-A120 VanDerWaalsContact C-N 3.33Å; G118-A120 PolarHBondContact O-N 3Å; G118-L121 PolarHBondContact O-N 3.41Å; G118-L122 WeakPolarHBondContact O-CB 3.33Å; G118-L122 VanDerWaalsContact O-CG 3.28Å; G118-L122 WeakPolarHBondContact O-CG 3.35Å; G118-L122 PolarHBondContact O-N 2.78Å |
| 119 | G | 70.6 | Confident | 65 | Low | 37 Ų | 37 | 82.8 Ų | 82.8 | 38% | 0.381 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V115 L116 L122 E123 | V115-G119 PolarHBondContact O-N 3.48Å; L116-G119 PolarHBondContact O-N 3.2Å; G119-L122 PolarHBondContact O-N 3.39Å; G119-E123 WeakPolarHBondContact O-CB 3.06Å; G119-E123 PolarHBondContact O-N 3.38Å |
| 120 | A | 63.8 | Low | 65.2 | Low | 14 Ų | 14 | 86.5 Ų | 86.5 | 12% | 0.116 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W79 L116 G118 L122 E123 L124 | W79-A120 HydrophobicContact CH2-CB 3.22Å; W79-A120 HydrophobicContact CZ2-CB 3.23Å; W79-A120 HydrophobicContact CZ3-CB 4.35Å; L116-A120 WeakPolarHBondContact O-CB 3.45Å; L116-A120 PolarHBondContact O-N 3.48Å; G118-A120 VanDerWaalsContact C-N 3.33Å; G118-A120 PolarHBondContact O-N 3Å; A120-L122 VanDerWaalsContact C-N 3.35Å; A120-E123 PolarHBondContact O-N 3.27Å; A120-L124 WeakPolarHBondContact O-CB 3.28Å; A120-L124 WeakPolarHBondContact O-CG 3.49Å; A120-L124 PolarHBondContact O-N 3.31Å |
| 121 | L | 73.2 | Confident | 65.3 | Low | 124 Ų | 124 | 93.6 Ų | 93.6 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.8 | -36.7 | 179.6 | -145.8 | 81.1 | 0 | 0 | 0 | 111.5 | L117 G118 G125 | L117-L121 WeakPolarHBondContact O-CB 3.49Å; L117-L121 PolarHBondContact O-N 3.43Å; G118-L121 PolarHBondContact O-N 3.41Å; L121-G125 PolarHBondContact O-N 2.92Å |
| 122 | L | 74.1 | Confident | 64.8 | Low | 129 Ų | 129 | 100.2 Ų | 100.2 | 68% | 0.675 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68 | -42.9 | 176.1 | -72.5 | 172.2 | 0 | 0 | 0 | 111.7 | G118 G119 A120 G125 Y126 | G118-L122 WeakPolarHBondContact O-CB 3.33Å; G118-L122 VanDerWaalsContact O-CG 3.28Å; G118-L122 WeakPolarHBondContact O-CG 3.35Å; G118-L122 PolarHBondContact O-N 2.78Å; G119-L122 PolarHBondContact O-N 3.39Å; A120-L122 VanDerWaalsContact C-N 3.35Å; L122-G125 PolarHBondContact O-N 3.49Å; L122-Y126 WeakPolarHBondContact O-CB 3.33Å; L122-Y126 PolarHBondContact O-N 3.03Å |
| 123 | E | 69.2 | Low | 64.8 | Low | 62 Ų | 62 | 107.7 Ų | 107.7 | 29% | 0.29 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 174.3 | -97.4 | -85 | 165.2 | 0 | 0 | 112.2 | K75 G119 A120 Y126 S127 | K75-E123 WeakPolarHBondContact CD-OE2 3.39Å; K75-E123 WeakPolarHBondContact CE-OE1 3.28Å; K75-E123 WeakPolarHBondContact CE-OE2 3.25Å; K75-E123 IonicContact NZ-OE1 3.48Å; K75-E123 PolarHBondContact NZ-OE1 2.96Å; K75-E123 IonicContact NZ-OE2 2.77Å; K75-E123 PolarHBondContact NZ-OE2 3.5Å; G119-E123 WeakPolarHBondContact O-CB 3.06Å; G119-E123 PolarHBondContact O-N 3.38Å; A120-E123 PolarHBondContact O-N 3.27Å; E123-Y126 PolarHBondContact O-N 3.39Å; E123-S127 WeakPolarHBondContact O-CB 3.32Å; E123-S127 PolarHBondContact O-N 3.22Å; E123-S127 PolarHBondContact O-OG 3.49Å |
| 124 | L | 67.8 | Low | 64.4 | Low | 103 Ų | 103 | 112.5 Ų | 112.5 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -40.4 | 175.5 | -77.4 | 164 | 0 | 0 | 0 | 111.7 | A120 S127 V128 | A120-L124 WeakPolarHBondContact O-CB 3.28Å; A120-L124 WeakPolarHBondContact O-CG 3.49Å; A120-L124 PolarHBondContact O-N 3.31Å; L124-S127 WeakPolarHBondContact CA-OG 3.35Å; L124-S127 PolarHBondContact O-N 3.03Å; L124-S127 PolarHBondContact O-OG 2.92Å; L124-V128 WeakPolarHBondContact O-CB 3.34Å; L124-V128 VanDerWaalsContact O-CG2 3.31Å; L124-V128 WeakPolarHBondContact O-CG2 3.11Å; L124-V128 PolarHBondContact O-N 3.1Å |
| 125 | G | 74.1 | Confident | 64.7 | Low | 40 Ų | 40 | 109 Ų | 109 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.3 | -48.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L121 L122 V128 F129 | L121-G125 PolarHBondContact O-N 2.92Å; L122-G125 PolarHBondContact O-N 3.49Å; G125-V128 PolarHBondContact O-N 2.98Å; G125-F129 WeakPolarHBondContact O-CB 3.36Å; G125-F129 PolarHBondContact O-N 3.14Å |
| 126 | Y | 69.9 | Low | 64.6 | Low | 183 Ų | 183 | 109.3 Ų | 109.3 | 72% | 0.718 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 179.6 | -125.9 | -91.1 | 0 | 0 | 0 | 112.2 | L122 E123 F129 H130 | L122-Y126 WeakPolarHBondContact O-CB 3.33Å; L122-Y126 PolarHBondContact O-N 3.03Å; E123-Y126 PolarHBondContact O-N 3.39Å; Y126-F129 PolarHBondContact O-N 3.3Å; Y126-H130 VanDerWaalsContact O-CB 3.31Å; Y126-H130 WeakPolarHBondContact O-CB 3.37Å; Y126-H130 PolarHBondContact O-N 3.22Å |
| 127 | S | 64.9 | Low | 64.9 | Low | 52 Ų | 52 | 113.1 Ų | 113.1 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.7 | -40.1 | 179.3 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | E123 L124 Y131 | E123-S127 WeakPolarHBondContact O-CB 3.32Å; E123-S127 PolarHBondContact O-N 3.22Å; E123-S127 PolarHBondContact O-OG 3.49Å; L124-S127 WeakPolarHBondContact CA-OG 3.35Å; L124-S127 PolarHBondContact O-N 3.03Å; L124-S127 PolarHBondContact O-OG 2.92Å; S127-Y131 WeakPolarHBondContact O-CB 3.44Å; S127-Y131 PolarHBondContact O-N 2.74Å; S127-Y131 VanDerWaalsContact O-N 3.13Å |
| 128 | V | 69.9 | Low | 65 | Low | 94 Ų | 94 | 113.5 Ų | 113.5 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.9 | -40.3 | 175.5 | 167.9 | 0 | 0 | 0 | 0 | 111.7 | L124 G125 Y131 R132 | L124-V128 WeakPolarHBondContact O-CB 3.34Å; L124-V128 VanDerWaalsContact O-CG2 3.31Å; L124-V128 WeakPolarHBondContact O-CG2 3.11Å; L124-V128 PolarHBondContact O-N 3.1Å; G125-V128 PolarHBondContact O-N 2.98Å; V128-Y131 PolarHBondContact O-N 3.19Å; V128-R132 PolarHBondContact O-N 2.88Å |
| 129 | F | 68.8 | Low | 64.4 | Low | 144 Ų | 144 | 118.6 Ų | 118.6 | 63% | 0.632 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.6 | -33.5 | -178.5 | -140.8 | -87.9 | 0 | 0 | 0 | 112.4 | G125 Y126 | G125-F129 WeakPolarHBondContact O-CB 3.36Å; G125-F129 PolarHBondContact O-N 3.14Å; Y126-F129 PolarHBondContact O-N 3.3Å |
| 130 | H | 57.9 | Low | 64 | Low | 119 Ų | 119 | 124.1 Ų | 124.1 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.6 | -37.8 | 174.8 | -159.2 | -39.7 | 0 | 0 | 0 | 112 | Y126 R132 R133 | Y126-H130 VanDerWaalsContact O-CB 3.31Å; Y126-H130 WeakPolarHBondContact O-CB 3.37Å; Y126-H130 PolarHBondContact O-N 3.22Å; H130-R132 VanDerWaalsContact C-N 3.25Å; H130-R132 PolarHBondContact O-N 3.24Å; H130-R133 PolarHBondContact O-N 3.38Å |
| 131 | Y | 54.7 | Low | 64 | Low | 195 Ų | 195 | 131.9 Ų | 131.9 | 77% | 0.765 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.1 | -22.6 | 177.4 | -174.5 | -103.5 | 0 | 0 | 0 | 113.9 | S127 V128 R133 | S127-Y131 WeakPolarHBondContact O-CB 3.44Å; S127-Y131 PolarHBondContact O-N 2.74Å; S127-Y131 VanDerWaalsContact O-N 3.13Å; V128-Y131 PolarHBondContact O-N 3.19Å; Y131-R133 VanDerWaalsContact C-N 3.35Å |
| 132 | R | 52.3 | Low | 63.3 | Low | 212 Ų | 212 | 132.5 Ų | 132.5 | 80% | 0.8 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -8.9 | 178.7 | -173.9 | 174.3 | -84.5 | -168.2 | -4.6 | 113.2 | V128 H130 | V128-R132 PolarHBondContact O-N 2.88Å; H130-R132 VanDerWaalsContact C-N 3.25Å; H130-R132 PolarHBondContact O-N 3.24Å |
| 133 | R | 52.1 | Low | 62.4 | Low | 204 Ų | 204 | 132.8 Ų | 132.8 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | trans | -100.9 | -9.1 | -174.1 | -135 | 179.7 | -172.1 | 128.3 | 0.1 | 114 | H130 Y131 | H130-R133 PolarHBondContact O-N 3.38Å; Y131-R133 VanDerWaalsContact C-N 3.35Å | ||
| 134 | D | 47.1 | Very low | 61.8 | Low | 186 Ų | 186 | 139.3 Ų | 139.3 | 100% | 0.995 | 65% | 0.647 | S | S | * | * | trans | -97.1 | 0 | 166.4 | -61.5 | -39.3 | 0 | 0 | 0 | 109.6 |
Retrieved 134 of 134 residues in 45.6 ms
(Link to these results)