| 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 | 52.9 | Low | 75.1 | Confident | 199 Ų | 199 | 97.3 Ų | 97.3 | 98% | 0.98 | 52% | 0.52 | S | S | * | . | 0 | 124.1 | 0 | -74 | -74.2 | -171.4 | 0 | 0 | 108.2 | Q6 | M1-Q6 HydrophobicContact CB-CG 4.22Š| |||
| 2 | S | 78.1 | Confident | 74.9 | Confident | 75 Ų | 75 | 93.3 Ų | 93.3 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | trans | -66.1 | 145 | 174 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | Q4 A5 Q6 | S2-Q4 PolarHBondContact O-N 2.69Å; S2-Q4 VanDerWaalsContact O-N 3.07Å; S2-A5 WeakPolarHBondContact O-CA 3.36Å; S2-A5 WeakPolarHBondContact O-CB 3.47Å; S2-A5 PolarHBondContact O-N 3.32Å; S2-Q6 PolarHBondContact O-N 2.9Å | ||
| 3 | A | 81 | Confident | 74.2 | Confident | 64 Ų | 64 | 93.8 Ų | 93.8 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -51.5 | -35 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A5 Q6 M7 | A3-A5 VanDerWaalsContact C-N 3.32Å; A3-A5 PolarHBondContact O-N 3.07Å; A3-Q6 PolarHBondContact O-N 2.93Å; A3-M7 WeakPolarHBondContact O-CG 3.2Å; A3-M7 PolarHBondContact O-N 2.82Å |
| 4 | Q | 81.7 | Confident | 73.6 | Confident | 118 Ų | 118 | 95.7 Ų | 95.7 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -35.2 | 174.9 | -64.7 | -176.3 | -1.4 | 0 | 0 | 113.3 | S2 R8 | S2-Q4 PolarHBondContact O-N 2.69Å; S2-Q4 VanDerWaalsContact O-N 3.07Å; Q4-R8 WeakPolarHBondContact O-CB 3.38Å; Q4-R8 WeakPolarHBondContact O-CG 3.37Å; Q4-R8 PolarHBondContact O-N 3.42Å |
| 5 | A | 78.9 | Confident | 72.9 | Confident | 32 Ų | 32 | 96.4 Ų | 96.4 | 26% | 0.264 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.7 | -35.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S2 A3 A9 | S2-A5 WeakPolarHBondContact O-CA 3.36Å; S2-A5 WeakPolarHBondContact O-CB 3.47Å; S2-A5 PolarHBondContact O-N 3.32Å; A3-A5 VanDerWaalsContact C-N 3.32Å; A3-A5 PolarHBondContact O-N 3.07Å; A5-A9 WeakPolarHBondContact O-CB 3.5Å; A5-A9 PolarHBondContact O-N 2.95Å |
| 6 | Q | 79.2 | Confident | 72.2 | Confident | 121 Ų | 121 | 90.4 Ų | 90.4 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.2 | -44.5 | 173.3 | -75 | 175.6 | -23.8 | 0 | 0 | 111.8 | M1 S2 A3 R8 A9 M10 | M1-Q6 HydrophobicContact CB-CG 4.22Å; S2-Q6 PolarHBondContact O-N 2.9Å; A3-Q6 PolarHBondContact O-N 2.93Å; Q6-R8 VanDerWaalsContact C-N 3.34Å; Q6-R8 PolarHBondContact O-N 3.27Å; Q6-A9 PolarHBondContact O-N 3.28Å; Q6-M10 WeakPolarHBondContact O-CB 3.4Å; Q6-M10 PolarHBondContact O-N 2.97Å |
| 7 | M | 78.3 | Confident | 71.7 | Confident | 110 Ų | 110 | 88.9 Ų | 88.9 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 174.9 | -72.8 | -173.1 | -72.7 | 0 | 0 | 112.1 | A3 M10 L11 | A3-M7 WeakPolarHBondContact O-CG 3.2Å; A3-M7 PolarHBondContact O-N 2.82Å; M7-M10 PolarHBondContact O-N 3.12Å; M7-L11 WeakPolarHBondContact O-CB 3.25Å; M7-L11 VanDerWaalsContact O-CD1 3.25Å; M7-L11 WeakPolarHBondContact O-CD1 3.41Å; M7-L11 WeakPolarHBondContact O-CG 3.34Å; M7-L11 PolarHBondContact O-N 3.36Å |
| 8 | R | 76 | Confident | 70.7 | Confident | 123 Ų | 123 | 88.7 Ų | 88.7 | 46% | 0.464 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -51.4 | 173 | -76.3 | 173 | -168.6 | 153.2 | 7 | 111.5 | Q4 Q6 M10 L11 D12 | Q4-R8 WeakPolarHBondContact O-CB 3.38Å; Q4-R8 WeakPolarHBondContact O-CG 3.37Å; Q4-R8 PolarHBondContact O-N 3.42Å; Q6-R8 VanDerWaalsContact C-N 3.34Å; Q6-R8 PolarHBondContact O-N 3.27Å; R8-M10 VanDerWaalsContact C-N 3.28Å; R8-M10 PolarHBondContact O-N 2.94Å; R8-L11 CarbonylContact O-C 3.58Å; R8-L11 PolarHBondContact O-N 3.47Å; R8-D12 VanDerWaalsContact O-CG 3.25Å; R8-D12 PolarHBondContact O-N 3.4Å |
| 9 | A | 74.4 | Confident | 69.9 | Low | 46 Ų | 46 | 88.7 Ų | 88.7 | 38% | 0.38 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.3 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A5 Q6 D12 Q13 | A5-A9 WeakPolarHBondContact O-CB 3.5Å; A5-A9 PolarHBondContact O-N 2.95Å; Q6-A9 PolarHBondContact O-N 3.28Å; A9-D12 PolarHBondContact O-N 3.17Å; A9-Q13 WeakPolarHBondContact O-CB 3.39Å; A9-Q13 WeakPolarHBondContact O-CG 3.14Å; A9-Q13 PolarHBondContact O-N 3.33Å |
| 10 | M | 74.3 | Confident | 69.2 | Low | 117 Ų | 117 | 89.1 Ų | 89.1 | 58% | 0.576 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 174.4 | -173.9 | 175.6 | -177.7 | 0 | 0 | 111.7 | Q6 M7 R8 Q13 L14 | Q6-M10 WeakPolarHBondContact O-CB 3.4Å; Q6-M10 PolarHBondContact O-N 2.97Å; M7-M10 PolarHBondContact O-N 3.12Å; R8-M10 VanDerWaalsContact C-N 3.28Å; R8-M10 PolarHBondContact O-N 2.94Å; M10-Q13 WeakPolarHBondContact O-CB 3.22Å; M10-Q13 PolarHBondContact O-N 2.9Å; M10-L14 HydrophobicContact CE-CD1 4.28Å; M10-L14 HydrophobicContact CG-CD1 3.94Å; M10-L14 VanDerWaalsContact O-CD1 3.27Å; M10-L14 WeakPolarHBondContact O-CD1 3.46Å; M10-L14 PolarHBondContact O-N 3.3Å; M10-L14 VanDerWaalsContact O-N 3.15Å |
| 11 | L | 71.9 | Confident | 68.5 | Low | 65 Ų | 65 | 87.8 Ų | 87.8 | 34% | 0.34 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.8 | -34.9 | 178.4 | -69.5 | 159.6 | 0 | 0 | 0 | 112.6 | M7 R8 Q13 L14 M15 R19 | M7-L11 WeakPolarHBondContact O-CB 3.25Å; M7-L11 VanDerWaalsContact O-CD1 3.25Å; M7-L11 WeakPolarHBondContact O-CD1 3.41Å; M7-L11 WeakPolarHBondContact O-CG 3.34Å; M7-L11 PolarHBondContact O-N 3.36Å; R8-L11 CarbonylContact O-C 3.58Å; R8-L11 PolarHBondContact O-N 3.47Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-L14 PolarHBondContact O-N 2.94Å; L11-M15 PolarHBondContact O-N 3.35Å; L11-R19 VanDerWaalsContact CG-NH1 3.34Å |
| 12 | D | 72.6 | Confident | 68.4 | Low | 49 Ų | 49 | 81.8 Ų | 81.8 | 26% | 0.262 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 173.9 | -65.9 | -23.4 | 0 | 0 | 0 | 110.6 | R8 A9 L14 G16 A66 | R8-D12 VanDerWaalsContact O-CG 3.25Å; R8-D12 PolarHBondContact O-N 3.4Å; A9-D12 PolarHBondContact O-N 3.17Å; D12-L14 VanDerWaalsContact C-N 3.32Å; D12-L14 PolarHBondContact O-N 3.35Å; D12-G16 WeakPolarHBondContact O-CA 3.39Å; D12-G16 PolarHBondContact O-N 3.47Å; D12-A66 HydrophobicContact CB-CB 3.82Å; D12-A66 WeakPolarHBondContact O-CA 3.16Å; D12-A66 WeakPolarHBondContact O-CB 3.46Å |
| 13 | Q | 65.5 | Low | 67.1 | Low | 100 Ų | 100 | 83.1 Ų | 83.1 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 171.9 | -76.3 | 170.7 | 1 | 0 | 0 | 113 | A9 M10 L11 L65 | A9-Q13 WeakPolarHBondContact O-CB 3.39Å; A9-Q13 WeakPolarHBondContact O-CG 3.14Å; A9-Q13 PolarHBondContact O-N 3.33Å; M10-Q13 WeakPolarHBondContact O-CB 3.22Å; M10-Q13 PolarHBondContact O-N 2.9Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; Q13-L65 HydrophobicContact CG-CB 3.79Å; Q13-L65 HydrophobicContact CG-CD1 4.04Å |
| 14 | L | 65.1 | Low | 65.6 | Low | 121 Ų | 121 | 85 Ų | 85 | 63% | 0.634 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -86 | -34.5 | -176.3 | -90.9 | 131.8 | 0 | 0 | 0 | 113.7 | M10 L11 D12 | M10-L14 HydrophobicContact CE-CD1 4.28Å; M10-L14 HydrophobicContact CG-CD1 3.94Å; M10-L14 VanDerWaalsContact O-CD1 3.27Å; M10-L14 WeakPolarHBondContact O-CD1 3.46Å; M10-L14 PolarHBondContact O-N 3.3Å; M10-L14 VanDerWaalsContact O-N 3.15Å; L11-L14 PolarHBondContact O-N 2.94Å; D12-L14 VanDerWaalsContact C-N 3.32Å; D12-L14 PolarHBondContact O-N 3.35Å |
| 15 | M | 64.2 | Low | 64 | Low | 106 Ų | 106 | 88.2 Ų | 88.2 | 52% | 0.522 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -124 | 0.9 | -168.9 | -55.6 | -140.4 | -65 | 0 | 0 | 114.8 | L11 R19 | L11-M15 PolarHBondContact O-N 3.35Å; M15-R19 HydrophobicContact CB-CB 4.48Å; M15-R19 HydrophobicContact CE-CG 3.81Å |
| 16 | G | 61.4 | Low | 62.7 | Low | 0 Ų | 0 | 92.1 Ų | 92.1 | 0% | 0 | 48% | 0.482 | C | S | . | . | trans | 79.7 | 163.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D12 S18 R19 | D12-G16 WeakPolarHBondContact O-CA 3.39Å; D12-G16 PolarHBondContact O-N 3.47Å; G16-S18 PolarHBondContact O-N 2.95Å; G16-S18 VanDerWaalsContact O-N 3.17Å; G16-R19 PolarHBondContact O-N 2.81Å | ||
| 17 | T | 62.9 | Low | 61.6 | Low | 66 Ų | 66 | 96.7 Ų | 96.7 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -67.2 | -16.3 | -179.3 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | R19 A66 L67 D70 | T17-R19 VanDerWaalsContact C-N 3.25Å; T17-R19 PolarHBondContact O-N 3.49Å; T17-A66 HydrophobicContact CG2-CB 3.51Å; T17-L67 HydrophobicContact CG2-CD2 4.31Å; T17-D70 PolarHBondContact N-OD1 3.47Å; T17-D70 PolarHBondContact N-OD2 3.4Å; T17-D70 PolarHBondContact OG1-OD2 3.11Å |
| 18 | S | 54.7 | Low | 60.6 | Low | 85 Ų | 85 | 93.8 Ų | 93.8 | 59% | 0.594 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -73.7 | -10.8 | -178.1 | -52.3 | 0 | 0 | 0 | 0 | 114 | G16 D20 G21 D70 | G16-S18 PolarHBondContact O-N 2.95Å; G16-S18 VanDerWaalsContact O-N 3.17Å; S18-D20 PolarHBondContact O-N 2.85Å; S18-G21 PolarHBondContact O-N 3.01Å; S18-D70 PolarHBondContact OG-OD1 3.45Å |
| 19 | R | 55.8 | Low | 60.1 | Low | 89 Ų | 89 | 93.5 Ų | 93.5 | 34% | 0.336 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -57.5 | -45.8 | -173.2 | -171 | -168.5 | 75.7 | 172.9 | -3.3 | 113.7 | L11 M15 G16 T17 G21 | L11-R19 VanDerWaalsContact CG-NH1 3.34Å; M15-R19 HydrophobicContact CB-CB 4.48Å; M15-R19 HydrophobicContact CE-CG 3.81Å; G16-R19 PolarHBondContact O-N 2.81Å; T17-R19 VanDerWaalsContact C-N 3.25Å; T17-R19 PolarHBondContact O-N 3.49Å; R19-G21 PolarHBondContact O-N 3.25Å |
| 20 | D | 54.9 | Low | 59.6 | Low | 96 Ų | 96 | 93.6 Ų | 93.6 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -82.7 | 2.8 | -170.9 | -69.4 | -8.2 | 0 | 0 | 0 | 112.3 | S18 D22 | S18-D20 PolarHBondContact O-N 2.85Å; D20-D22 HydrophobicContact CB-CB 4.31Å; D20-D22 PolarHBondContact O-N 3.48Å |
| 21 | G | 54.5 | Low | 59.1 | Low | 61 Ų | 61 | 90.8 Ų | 90.8 | 63% | 0.629 | 47% | 0.466 | S | S | * | . | trans | 58.9 | 10.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S18 R19 T23 | S18-G21 PolarHBondContact O-N 3.01Å; R19-G21 PolarHBondContact O-N 3.25Å; G21-T23 VanDerWaalsContact C-N 3.33Å; G21-T23 PolarHBondContact O-N 3.43Å | ||
| 22 | D | 50.7 | Low | 59.1 | Low | 73 Ų | 73 | 90.9 Ų | 90.9 | 39% | 0.39 | 47% | 0.467 | S | S | . | . | trans | -85.7 | 80.8 | -166.3 | -151.4 | -4.1 | 0 | 0 | 0 | 109 | D20 T24 R25 | D20-D22 HydrophobicContact CB-CB 4.31Å; D20-D22 PolarHBondContact O-N 3.48Å; D22-T24 PolarHBondContact O-N 2.66Å; D22-T24 PolarHBondContact OD1-OG1 2.66Å; D22-R25 PolarHBondContact O-N 3.02Å; D22-R25 VanDerWaalsContact O-N 3.12Å | ||
| 23 | T | 50.4 | Low | 59.1 | Low | 103 Ų | 103 | 94.2 Ų | 94.2 | 63% | 0.632 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -50.7 | -19.3 | 173.2 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | G21 Q26 | G21-T23 VanDerWaalsContact C-N 3.33Å; G21-T23 PolarHBondContact O-N 3.43Å; T23-Q26 WeakPolarHBondContact O-CG 3.49Å; T23-Q26 PolarHBondContact O-NE2 3.35Å |
| 24 | T | 50.1 | Low | 59.4 | Low | 105 Ų | 105 | 98.7 Ų | 98.7 | 64% | 0.644 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -80.3 | -19.8 | -177.3 | 70.7 | 0 | 0 | 0 | 0 | 114.2 | D22 | D22-T24 PolarHBondContact O-N 2.66Å; D22-T24 PolarHBondContact OD1-OG1 2.66Å |
| 25 | R | 48.6 | Very low | 59.8 | Low | 184 Ų | 184 | 93 Ų | 93 | 69% | 0.694 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -113.1 | 27.5 | -179.6 | -64.3 | -174.2 | 179.9 | 177.8 | 3.2 | 113.3 | D22 R27 | D22-R25 PolarHBondContact O-N 3.02Å; D22-R25 VanDerWaalsContact O-N 3.12Å; R25-R27 PolarHBondContact O-N 3.32Å |
| 26 | Q | 50.7 | Low | 60.3 | Low | 115 Ų | 115 | 88.1 Ų | 88.1 | 54% | 0.537 | 44% | 0.444 | S | S | . | . | trans | -58.5 | 72.1 | 162.8 | -66.7 | 172.7 | 13.3 | 0 | 0 | 109.7 | T23 I28 | T23-Q26 WeakPolarHBondContact O-CG 3.49Å; T23-Q26 PolarHBondContact O-NE2 3.35Å; Q26-I28 VanDerWaalsContact C-N 3.31Å | ||
| 27 | R | 56.4 | Low | 61.1 | Low | 217 Ų | 217 | 89.4 Ų | 89.4 | 82% | 0.819 | 45% | 0.45 | S | S | * | . | trans | -71.1 | -33.6 | -176.7 | -84.8 | -76.7 | -179.7 | -108.5 | 2.5 | 110 | R25 | R25-R27 PolarHBondContact O-N 3.32Š| ||
| 28 | I | 58.6 | Low | 61.5 | Low | 49 Ų | 49 | 86.4 Ų | 86.4 | 25% | 0.251 | 43% | 0.432 | S | S | . | . | trans | -156.2 | 133.7 | 176.5 | -52.4 | 179.6 | 0 | 0 | 0 | 107.6 | Q26 D32 V35 V62 L67 | Q26-I28 VanDerWaalsContact C-N 3.31Å; I28-D32 HydrophobicContact CG2-CB 3.85Å; I28-D32 WeakPolarHBondContact CG2-OD2 3.33Å; I28-V35 HydrophobicContact CG2-CG2 3.41Å; I28-V35 VanDerWaalsContact CG2-CG2 3.41Å; I28-V62 HydrophobicContact CD1-CB 4.26Å; I28-V62 HydrophobicContact CD1-CG1 4.11Å; I28-V62 HydrophobicContact CD1-CG2 3.86Å; I28-L67 HydrophobicContact CG2-CD1 4.47Å | ||
| 29 | K | 64.6 | Low | 62.5 | Low | 116 Ų | 116 | 82.7 Ų | 82.7 | 50% | 0.504 | 41% | 0.405 | S | S | . | . | trans | -84 | 150.4 | 170.5 | -69.3 | 178.9 | -179.7 | 176.3 | 0 | 109.2 | S31 D32 | K29-S31 PolarHBondContact O-N 3.27Å; K29-D32 PolarHBondContact N-OD2 2.86Å; K29-D32 WeakPolarHBondContact O-CB 3.44Å; K29-D32 PolarHBondContact O-N 3.46Å | ||
| 30 | F | 63.5 | Low | 63.2 | Low | 48 Ų | 48 | 78.6 Ų | 78.6 | 21% | 0.211 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -19.4 | 172.4 | 64.6 | -95.7 | 0 | 0 | 0 | 113.1 | D70 A74 F80 F82 | F30-D70 HydrophobicContact CD1-CB 4.25Å; F30-A74 HydrophobicContact CE1-CB 4.5Å; F30-A74 HydrophobicContact CE2-CB 4.27Å; F30-A74 HydrophobicContact CZ-CB 3.98Å; F30-F80 HydrophobicContact CE2-CE1 4.07Å; F30-F80 HydrophobicContact CE2-CE2 4.14Å; F30-F80 AromaticContact CE2-CZ 3.84Å; F30-F80 HydrophobicContact CE2-CZ 3.84Å; F30-F80 HydrophobicContact CZ-CZ 4.13Å; F30-F82 HydrophobicContact CD2-CE2 4.3Å |
| 31 | S | 63.2 | Low | 63.9 | Low | 58 Ų | 58 | 75.9 Ų | 75.9 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9 | 177.1 | -42.9 | 0 | 0 | 0 | 0 | 114.8 | K29 | K29-S31 PolarHBondContact O-N 3.27Š|
| 32 | D | 72.3 | Confident | 64.6 | Low | 67 Ų | 67 | 77 Ų | 77 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -73 | 138.4 | -176.4 | -70 | -33.7 | 0 | 0 | 0 | 111.3 | I28 K29 R34 V35 | I28-D32 HydrophobicContact CG2-CB 3.85Å; I28-D32 WeakPolarHBondContact CG2-OD2 3.33Å; K29-D32 PolarHBondContact N-OD2 2.86Å; K29-D32 WeakPolarHBondContact O-CB 3.44Å; K29-D32 PolarHBondContact O-N 3.46Å; D32-R34 PolarHBondContact O-N 3.46Å; D32-V35 HydrophobicContact CB-CG2 4.46Å; D32-V35 PolarHBondContact O-N 3.15Å |
| 33 | D | 72.3 | Confident | 65.4 | Low | 120 Ų | 120 | 73.7 Ų | 73.7 | 64% | 0.642 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15 | -179.3 | -69.3 | -39.7 | 0 | 0 | 0 | 114.4 | V35 K37 K61 | D33-V35 VanDerWaalsContact C-N 3.33Å; D33-K37 IonicContact OD1-NZ 2.91Å; D33-K61 PolarHBondContact O-NZ 3.01Å |
| 34 | R | 71.6 | Confident | 66.7 | Low | 193 Ų | 193 | 68.8 Ų | 68.8 | 73% | 0.728 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -21.8 | 175.4 | -62.2 | -177.2 | -177.7 | -170.8 | -0 | 112.7 | D32 K61 V62 | D32-R34 PolarHBondContact O-N 3.46Å; R34-K61 CarbonylContact O-C 3.57Å; R34-K61 VanDerWaalsContact O-CA 3.27Å; R34-K61 WeakPolarHBondContact O-CA 3.27Å; R34-K61 VanDerWaalsContact O-CB 3.3Å; R34-K61 WeakPolarHBondContact O-CB 3.32Å; R34-V62 PolarHBondContact O-N 3.15Å |
| 35 | V | 74.2 | Confident | 67.8 | Low | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 137.1 | 178.7 | -175.5 | 0 | 0 | 0 | 0 | 109 | I28 D32 D33 K37 L40 L67 | I28-V35 HydrophobicContact CG2-CG2 3.41Å; I28-V35 VanDerWaalsContact CG2-CG2 3.41Å; D32-V35 HydrophobicContact CB-CG2 4.46Å; D32-V35 PolarHBondContact O-N 3.15Å; D33-V35 VanDerWaalsContact C-N 3.33Å; V35-K37 PolarHBondContact O-N 3.43Å; V35-L40 HydrophobicContact CG1-CD1 4.11Å; V35-L40 HydrophobicContact CG1-CD2 4.07Å; V35-L40 HydrophobicContact CG1-CG 4.1Å; V35-L67 HydrophobicContact CG1-CD1 3.97Å; V35-L67 HydrophobicContact CG2-CD1 3.64Å |
| 36 | C | 75.3 | Confident | 69.2 | Low | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.02 | 27% | 0.271 | C | S | . | . | trans | -74.2 | 101.9 | 178.3 | -165.4 | 0 | 0 | 0 | 0 | 110.2 | S38 H39 L40 C59 K61 V62 H63 | C36-S38 PolarHBondContact O-N 2.97Å; C36-S38 PolarHBondContact SG-OG 3.42Å; C36-H39 HydrophobicContact CB-CB 3.64Å; C36-H39 WeakPolarHBondContact O-CB 3.39Å; C36-H39 PolarHBondContact O-N 2.82Å; C36-L40 PolarHBondContact O-N 3.04Å; C36-C59 VanDerWaalsContact SG-SG 3.67Å; C36-K61 HydrophobicContact CB-CB 3.6Å; C36-K61 HydrophobicContact CB-CD 4.28Å; C36-V62 PolarHBondContact N-O 3.17Å; C36-H63 WeakPolarHBondContact CB-CD2 3.23Å; C36-H63 VanDerWaalsContact CB-NE2 3.25Å; C36-H63 WeakPolarHBondContact CB-NE2 3.49Å; C36-H63 PolarHBondContact SG-NE2 2.87Å; C36-H63 VanDerWaalsContact SG-NE2 3.4Å | ||
| 37 | K | 76.9 | Confident | 70.7 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.3 | -32.6 | 177 | -61.2 | 174.6 | -172 | -178.2 | 0 | 112.7 | D33 V35 L40 F82 D85 | D33-K37 IonicContact OD1-NZ 2.91Å; V35-K37 PolarHBondContact O-N 3.43Å; K37-L40 PolarHBondContact O-N 2.96Å; K37-F82 HydrophobicContact CB-CB 4.31Å; K37-F82 HydrophobicContact CD-CD1 3.7Å; K37-F82 HydrophobicContact CD-CE1 4.2Å; K37-F82 HydrophobicContact CD-CG 4.35Å; K37-F82 HydrophobicContact CG-CD1 4.08Å; K37-F82 HydrophobicContact CG-CG 4.33Å; K37-D85 HydrophobicContact CD-CB 4.03Å; K37-D85 WeakPolarHBondContact CD-OD2 3.28Å; K37-D85 WeakPolarHBondContact CE-OD2 3.14Å; K37-D85 IonicContact NZ-OD2 3.12Å; K37-D85 PolarHBondContact NZ-OD2 3.49Å |
| 38 | S | 72.3 | Confident | 71.8 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -75.3 | -30.4 | 174.8 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | C36 L40 L41 N42 C43 C44 | C36-S38 PolarHBondContact O-N 2.97Å; C36-S38 PolarHBondContact SG-OG 3.42Å; S38-L40 VanDerWaalsContact C-N 3.34Å; S38-L41 PolarHBondContact O-N 3.41Å; S38-N42 PolarHBondContact O-N 2.86Å; S38-C43 CarbonylContact O-C 3.6Å; S38-C43 PolarHBondContact O-N 3.38Å; S38-C44 PolarHBondContact O-N 3.38Å |
| 39 | H | 75 | Confident | 72.6 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.7 | -34 | 171.4 | -174.3 | 86.9 | 0 | 0 | 0 | 111.5 | C36 L41 N42 C44 D47 H63 R68 | C36-H39 HydrophobicContact CB-CB 3.64Å; C36-H39 WeakPolarHBondContact O-CB 3.39Å; C36-H39 PolarHBondContact O-N 2.82Å; H39-L41 PolarHBondContact O-N 2.97Å; H39-N42 PolarHBondContact O-N 2.99Å; H39-C44 HydrophobicContact CB-CB 4.03Å; H39-D47 IonicContact CE1-OD2 3.86Å; H39-D47 PolarHBondContact CE1-OD2 2.89Å; H39-D47 IonicContact ND1-OD2 3.16Å; H39-D47 PolarHBondContact ND1-OD2 3.35Å; H39-D47 VanDerWaalsContact ND1-OD2 3.16Å; H39-H63 AromaticContact CD2-CG 3.87Å; H39-H63 VanDerWaalsContact CE1-CB 3.48Å; H39-H63 WeakPolarHBondContact CE1-CB 3.41Å; H39-H63 AromaticContact CE1-CG 3.52Å; H39-H63 AromaticContact CE1-ND1 3.52Å; H39-H63 AromaticContact CG-CD2 3.54Å; H39-H63 AromaticContact CG-CE1 3.95Å; H39-H63 AromaticContact CG-CG 3.51Å; H39-H63 AromaticContact CG-ND1 3.79Å; H39-H63 AromaticContact CG-NE2 3.81Å; H39-H63 AromaticContact ND1-CD2 3.72Å; H39-H63 AromaticContact ND1-CE1 3.47Å; H39-H63 PolarHBondContact ND1-CE1 3.13Å; H39-H63 AromaticContact ND1-CG 3.28Å; H39-H63 VanDerWaalsContact ND1-CG 3.28Å; H39-H63 AromaticContact ND1-ND1 3.12Å; H39-H63 PolarHBondContact ND1-ND1 3.11Å; H39-H63 VanDerWaalsContact ND1-ND1 3.12Å; H39-H63 AromaticContact ND1-NE2 3.82Å; H39-H63 AromaticContact NE2-CG 3.91Å; H39-R68 PolarHBondContact CD2-NE 3Å; H39-R68 PolarHBondContact CD2-NH2 3.42Å; H39-R68 PolarHBondContact CE1-NH2 3.12Å; H39-R68 PolarHBondContact ND1-NH2 3.03Å; H39-R68 PolarHBondContact NE2-NE 3.47Å; H39-R68 VanDerWaalsContact NE2-NE 3.19Å; H39-R68 PolarHBondContact NE2-NH2 3.46Å; H39-R68 VanDerWaalsContact NE2-NH2 3.11Å; H39-R68 VanDerWaalsContact O-CZ 3.25Å; H39-R68 PolarHBondContact O-NE 3.4Å; H39-R68 PolarHBondContact O-NH2 3.21Å; H39-R68 VanDerWaalsContact O-NH2 3.11Å |
| 40 | L | 70.4 | Confident | 73.1 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -26.8 | 173.5 | -64.4 | 177.7 | 0 | 0 | 0 | 112.9 | V35 C36 K37 S38 L67 R68 Y71 | V35-L40 HydrophobicContact CG1-CD1 4.11Å; V35-L40 HydrophobicContact CG1-CD2 4.07Å; V35-L40 HydrophobicContact CG1-CG 4.1Å; C36-L40 PolarHBondContact O-N 3.04Å; K37-L40 PolarHBondContact O-N 2.96Å; S38-L40 VanDerWaalsContact C-N 3.34Å; L40-L67 HydrophobicContact CD2-CB 4.05Å; L40-L67 WeakPolarHBondContact CD2-O 3.25Å; L40-R68 HydrophobicContact CD2-CB 4.5Å; L40-R68 HydrophobicContact CD2-CG 4.11Å; L40-Y71 HydrophobicContact CB-CD1 4.13Å; L40-Y71 HydrophobicContact CB-CG 4.32Å; L40-Y71 HydrophobicContact CD1-CG 4.36Å |
| 41 | L | 71.2 | Confident | 73.4 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 13.4 | 177.8 | -66.7 | 169 | 0 | 0 | 0 | 113.2 | S38 H39 C43 Y71 E83 A86 L228 | S38-L41 PolarHBondContact O-N 3.41Å; H39-L41 PolarHBondContact O-N 2.97Å; L41-C43 PolarHBondContact O-N 3.39Å; L41-C43 PolarHBondContact O-SG 3.18Å; L41-Y71 HydrophobicContact CD2-CE1 3.66Å; L41-Y71 HydrophobicContact CG-CE1 4.34Å; L41-E83 HydrophobicContact CD1-CG 4.28Å; L41-A86 HydrophobicContact CD1-CB 3.57Å; L41-L228 HydrophobicContact CD1-CD2 4.23Å |
| 42 | N | 67.4 | Low | 73.8 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 20.1 | -175.3 | -60.5 | -43.7 | 0 | 0 | 0 | 115 | S38 H39 R68 | S38-N42 PolarHBondContact O-N 2.86Å; H39-N42 PolarHBondContact O-N 2.99Å; N42-R68 PolarHBondContact OD1-NE 3.12Å; N42-R68 PolarHBondContact OD1-NH1 2.98Å |
| 43 | C | 68.1 | Low | 73.5 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | trans | -118.9 | 19.7 | -172.9 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | S38 L41 P45 L90 K224 | S38-C43 CarbonylContact O-C 3.6Å; S38-C43 PolarHBondContact O-N 3.38Å; L41-C43 PolarHBondContact O-N 3.39Å; L41-C43 PolarHBondContact O-SG 3.18Å; C43-P45 WeakPolarHBondContact O-CD 3.49Å; C43-L90 HydrophobicContact CB-CD1 3.76Å; C43-L90 HydrophobicContact CB-CD2 4.31Å; C43-L90 HydrophobicContact CB-CG 4.5Å; C43-L90 VanDerWaalsContact O-CD2 3.23Å; C43-L90 WeakPolarHBondContact O-CD2 3.23Å; C43-K224 VanDerWaalsContact SG-CB 3.52Å; C43-K224 VanDerWaalsContact SG-CD 3.58Å; C43-K224 VanDerWaalsContact SG-CG 3.56Å | ||
| 44 | C | 78.5 | Confident | 73.1 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | trans | -68.5 | 120.9 | 179.6 | -165.7 | 0 | 0 | 0 | 0 | 109.3 | S38 H39 H46 D47 V48 H63 | S38-C44 PolarHBondContact O-N 3.38Å; H39-C44 HydrophobicContact CB-CB 4.03Å; C44-H46 PolarHBondContact O-N 2.72Å; C44-H46 VanDerWaalsContact O-N 3.1Å; C44-D47 HydrophobicContact CB-CB 4.07Å; C44-D47 PolarHBondContact O-N 3.22Å; C44-V48 PolarHBondContact O-N 3.42Å; C44-V48 VanDerWaalsContact O-N 3.14Å; C44-H63 VanDerWaalsContact SG-CE1 3.5Å | ||
| 45 | P | 73.8 | Confident | 73 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.1 | -31.5 | 178.2 | -25.6 | 35.4 | 0 | 0 | 0 | 112.5 | C43 D47 L49 L56 L90 F93 | C43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-D47 VanDerWaalsContact C-N 3.34Å; P45-D47 PolarHBondContact O-N 3.27Å; P45-L49 WeakPolarHBondContact O-CB 3.49Å; P45-L49 VanDerWaalsContact O-CG 3.3Å; P45-L49 WeakPolarHBondContact O-CG 3.29Å; P45-L49 PolarHBondContact O-N 2.97Å; P45-L56 HydrophobicContact CB-CD1 4.12Å; P45-L90 HydrophobicContact CG-CD2 3.87Å; P45-F93 HydrophobicContact CB-CD1 3.95Å; P45-F93 HydrophobicContact CB-CD2 4.17Å; P45-F93 HydrophobicContact CB-CE1 4.03Å; P45-F93 HydrophobicContact CB-CE2 4.29Å; P45-F93 HydrophobicContact CB-CG 4.02Å; P45-F93 HydrophobicContact CB-CZ 4.22Å; P45-F93 HydrophobicContact CG-CB 4.24Å; P45-F93 HydrophobicContact CG-CD1 4.05Å; P45-F93 HydrophobicContact CG-CD2 4.45Å; P45-F93 HydrophobicContact CG-CG 3.96Å |
| 46 | H | 77 | Confident | 72.6 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.5 | -29.7 | 177.6 | -65.2 | -87.8 | 0 | 0 | 0 | 114.1 | C44 L56 G57 C59 | C44-H46 PolarHBondContact O-N 2.72Å; C44-H46 VanDerWaalsContact O-N 3.1Å; H46-L56 VanDerWaalsContact CE1-CB 3.41Å; H46-L56 WeakPolarHBondContact CE1-CB 3.29Å; H46-L56 VanDerWaalsContact ND1-CB 3.29Å; H46-L56 WeakPolarHBondContact ND1-CB 3.48Å; H46-G57 PolarHBondContact ND1-O 3.18Å; H46-C59 HydrophobicContact CB-CB 4.02Å |
| 47 | D | 81.2 | Confident | 72.6 | Confident | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -86.5 | -46.9 | -177.8 | -162.3 | 22.1 | 0 | 0 | 0 | 110 | H39 C44 P45 L49 S50 R68 | H39-D47 IonicContact CE1-OD2 3.86Å; H39-D47 PolarHBondContact CE1-OD2 2.89Å; H39-D47 IonicContact ND1-OD2 3.16Å; H39-D47 PolarHBondContact ND1-OD2 3.35Å; H39-D47 VanDerWaalsContact ND1-OD2 3.16Å; C44-D47 HydrophobicContact CB-CB 4.07Å; C44-D47 PolarHBondContact O-N 3.22Å; P45-D47 VanDerWaalsContact C-N 3.34Å; P45-D47 PolarHBondContact O-N 3.27Å; D47-L49 PolarHBondContact O-N 3.31Å; D47-S50 WeakPolarHBondContact O-CB 3.18Å; D47-S50 PolarHBondContact O-N 3.42Å; D47-S50 PolarHBondContact O-OG 3.3Å; D47-R68 IonicContact OD2-NH2 3.06Å; D47-R68 PolarHBondContact OD2-NH2 3.01Å; D47-R68 VanDerWaalsContact OD2-NH2 3.15Å |
| 48 | V | 80 | Confident | 72.3 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 178.9 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | C44 S50 G217 I221 | C44-V48 PolarHBondContact O-N 3.42Å; C44-V48 VanDerWaalsContact O-N 3.14Å; V48-S50 VanDerWaalsContact C-N 3.3Å; V48-G217 VanDerWaalsContact CG1-CA 3.46Å; V48-I221 HydrophobicContact CB-CD1 4.22Å; V48-I221 HydrophobicContact CB-CG1 4.41Å; V48-I221 HydrophobicContact CG1-CD1 4.05Å; V48-I221 HydrophobicContact CG1-CG1 4.15Å |
| 49 | L | 75.8 | Confident | 72.2 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.8 | 179.9 | -61.3 | 174.4 | 0 | 0 | 0 | 113.3 | P45 D47 G51 T52 F93 F218 I221 | P45-L49 WeakPolarHBondContact O-CB 3.49Å; P45-L49 VanDerWaalsContact O-CG 3.3Å; P45-L49 WeakPolarHBondContact O-CG 3.29Å; P45-L49 PolarHBondContact O-N 2.97Å; D47-L49 PolarHBondContact O-N 3.31Å; L49-G51 PolarHBondContact O-N 3.19Å; L49-T52 VanDerWaalsContact O-CB 3.28Å; L49-T52 WeakPolarHBondContact O-CB 3.46Å; L49-T52 WeakPolarHBondContact O-CG2 3.48Å; L49-T52 PolarHBondContact O-N 2.94Å; L49-T52 VanDerWaalsContact O-N 3.16Å; L49-T52 PolarHBondContact O-OG1 2.84Å; L49-F93 HydrophobicContact CD1-CE1 3.79Å; L49-F93 HydrophobicContact CD1-CE2 4.35Å; L49-F93 HydrophobicContact CD1-CZ 3.35Å; L49-F218 HydrophobicContact CD1-CE1 4.46Å; L49-F218 HydrophobicContact CD1-CZ 4.46Å; L49-F218 HydrophobicContact CD2-CE2 4.38Å; L49-F218 HydrophobicContact CD2-CZ 4.35Å; L49-I221 HydrophobicContact CD1-CD1 4.43Å; L49-I221 HydrophobicContact CD2-CD1 4.45Å; L49-I221 HydrophobicContact CG-CD1 4.22Å |
| 50 | S | 74.4 | Confident | 72 | Confident | 70 Ų | 70 | 64 Ų | 64 | 49% | 0.49 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 131.8 | -178.2 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | D47 V48 D55 | D47-S50 WeakPolarHBondContact O-CB 3.18Å; D47-S50 PolarHBondContact O-N 3.42Å; D47-S50 PolarHBondContact O-OG 3.3Å; V48-S50 VanDerWaalsContact C-N 3.3Å; S50-D55 VanDerWaalsContact C-OD1 3.3Å; S50-D55 VanDerWaalsContact CA-OD1 3.28Å; S50-D55 WeakPolarHBondContact CA-OD1 3.25Å |
| 51 | G | 70 | Confident | 72.3 | Confident | 68 Ų | 68 | 67 Ų | 67 | 70% | 0.701 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 18.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L49 D55 | L49-G51 PolarHBondContact O-N 3.19Å; G51-D55 WeakPolarHBondContact CA-OD2 3.5Å; G51-D55 PolarHBondContact N-OD1 2.82Å; G51-D55 PolarHBondContact N-OD2 3.32Å |
| 52 | T | 72.5 | Confident | 72.6 | Confident | 14 Ų | 14 | 68 Ų | 68 | 9% | 0.086 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -111.5 | 164.6 | 176.7 | 75.6 | 0 | 0 | 0 | 0 | 112.7 | L49 M54 D55 K213 L214 | L49-T52 VanDerWaalsContact O-CB 3.28Å; L49-T52 WeakPolarHBondContact O-CB 3.46Å; L49-T52 WeakPolarHBondContact O-CG2 3.48Å; L49-T52 PolarHBondContact O-N 2.94Å; L49-T52 VanDerWaalsContact O-N 3.16Å; L49-T52 PolarHBondContact O-OG1 2.84Å; T52-M54 PolarHBondContact O-N 3.11Å; T52-D55 PolarHBondContact N-OD1 3.12Å; T52-D55 PolarHBondContact N-OD2 3.47Å; T52-D55 WeakPolarHBondContact O-CB 3.27Å; T52-D55 PolarHBondContact O-N 3.19Å; T52-D55 VanDerWaalsContact O-OD2 3.07Å; T52-K213 HydrophobicContact CG2-CB 4.26Å; T52-L214 HydrophobicContact CG2-CD2 3.82Å; T52-L214 HydrophobicContact CG2-CG 3.9Å; T52-L214 VanDerWaalsContact OG1-CD2 3.28Å; T52-L214 WeakPolarHBondContact OG1-CD2 3.3Å |
| 53 | R | 65.4 | Low | 72.7 | Confident | 235 Ų | 235 | 66.9 Ų | 66.9 | 89% | 0.887 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -16.5 | 178.9 | -66.2 | -175.5 | -179.1 | -176.7 | 0.3 | 114.1 | L214 | R53-L214 HydrophobicContact CB-CD1 4.28Š|
| 54 | M | 63.5 | Low | 73.1 | Confident | 67 Ų | 67 | 70 Ų | 70 | 33% | 0.33 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 29.7 | 177.9 | -62.6 | -60.1 | -65.8 | 0 | 0 | 111.5 | T52 L56 L214 | T52-M54 PolarHBondContact O-N 3.11Å; M54-L56 PolarHBondContact O-N 3.16Å; M54-L214 HydrophobicContact CB-CD2 4.36Å; M54-L214 HydrophobicContact CG-CD2 4.38Å |
| 55 | D | 70.3 | Confident | 72.9 | Confident | 84 Ų | 84 | 73.1 Ų | 73.1 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | trans | -53.7 | 110.1 | 173.7 | -80.1 | -26.6 | 0 | 0 | 0 | 110.2 | S50 G51 T52 G57 | S50-D55 VanDerWaalsContact C-OD1 3.3Å; S50-D55 VanDerWaalsContact CA-OD1 3.28Å; S50-D55 WeakPolarHBondContact CA-OD1 3.25Å; G51-D55 WeakPolarHBondContact CA-OD2 3.5Å; G51-D55 PolarHBondContact N-OD1 2.82Å; G51-D55 PolarHBondContact N-OD2 3.32Å; T52-D55 PolarHBondContact N-OD1 3.12Å; T52-D55 PolarHBondContact N-OD2 3.47Å; T52-D55 WeakPolarHBondContact O-CB 3.27Å; T52-D55 PolarHBondContact O-N 3.19Å; T52-D55 VanDerWaalsContact O-OD2 3.07Å; D55-G57 PolarHBondContact O-N 3.38Å | ||
| 56 | L | 66.6 | Low | 72.9 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 40% | 0.398 | 39% | 0.392 | S | S | . | . | trans | -74.8 | 0.6 | 171 | -62.1 | 167 | 0 | 0 | 0 | 111.9 | P45 H46 M54 F93 | P45-L56 HydrophobicContact CB-CD1 4.12Å; H46-L56 VanDerWaalsContact CE1-CB 3.41Å; H46-L56 WeakPolarHBondContact CE1-CB 3.29Å; H46-L56 VanDerWaalsContact ND1-CB 3.29Å; H46-L56 WeakPolarHBondContact ND1-CB 3.48Å; M54-L56 PolarHBondContact O-N 3.16Å; L56-F93 HydrophobicContact CD1-CD2 4.18Å; L56-F93 HydrophobicContact CD1-CE2 3.58Å; L56-F93 HydrophobicContact CD1-CZ 4.22Å; L56-F93 HydrophobicContact CD2-CE2 4.41Å; L56-F93 HydrophobicContact CG-CE2 4.43Å | ||
| 57 | G | 75 | Confident | 72.7 | Confident | 42 Ų | 42 | 70.2 Ų | 70.2 | 43% | 0.433 | 38% | 0.381 | S | S | . | . | trans | 77.1 | -178.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H46 D55 | H46-G57 PolarHBondContact ND1-O 3.18Å; D55-G57 PolarHBondContact O-N 3.38Å | ||
| 58 | E | 69.2 | Low | 72.2 | Confident | 187 Ų | 187 | 68.8 Ų | 68.8 | 87% | 0.874 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -60.1 | 140.3 | 175.2 | -63.2 | 176.7 | -176.2 | 0 | 0 | 110.4 | L60 | E58-L60 PolarHBondContact O-N 3.07Š|
| 59 | C | 71.4 | Confident | 71.8 | Confident | 27 Ų | 27 | 67.9 Ų | 67.9 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | trans | -63.2 | 138.5 | 177.2 | -164.2 | 0 | 0 | 0 | 0 | 109.8 | C36 H46 K61 H63 | C36-C59 VanDerWaalsContact SG-SG 3.67Å; H46-C59 HydrophobicContact CB-CB 4.02Å; C59-K61 PolarHBondContact O-N 3.48Å; C59-H63 WeakPolarHBondContact CB-CE1 3.39Å; C59-H63 WeakPolarHBondContact CB-NE2 3.47Å | ||
| 60 | L | 71 | Confident | 72 | Confident | 180 Ų | 180 | 68.4 Ų | 68.4 | 94% | 0.942 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -62.9 | -13.3 | 174 | -59.4 | 177.1 | 0 | 0 | 0 | 113 | E58 | E58-L60 PolarHBondContact O-N 3.07Š|
| 61 | K | 76.4 | Confident | 71.9 | Confident | 68 Ų | 68 | 65.4 Ų | 65.4 | 30% | 0.296 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -104.8 | 147.3 | -177.7 | -64.3 | -172.1 | -177.1 | -144.1 | 0 | 110.1 | D33 R34 C36 C59 H63 | D33-K61 PolarHBondContact O-NZ 3.01Å; R34-K61 CarbonylContact O-C 3.57Å; R34-K61 VanDerWaalsContact O-CA 3.27Å; R34-K61 WeakPolarHBondContact O-CA 3.27Å; R34-K61 VanDerWaalsContact O-CB 3.3Å; R34-K61 WeakPolarHBondContact O-CB 3.32Å; C36-K61 HydrophobicContact CB-CB 3.6Å; C36-K61 HydrophobicContact CB-CD 4.28Å; C59-K61 PolarHBondContact O-N 3.48Å; K61-H63 PolarHBondContact O-CD2 3.32Å; K61-H63 PolarHBondContact O-N 2.79Å |
| 62 | V | 76.3 | Confident | 72.3 | Confident | 59 Ų | 59 | 67.5 Ų | 67.5 | 36% | 0.358 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -65.2 | 125.7 | -177.8 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | I28 R34 C36 D64 | I28-V62 HydrophobicContact CD1-CB 4.26Å; I28-V62 HydrophobicContact CD1-CG1 4.11Å; I28-V62 HydrophobicContact CD1-CG2 3.86Å; R34-V62 PolarHBondContact O-N 3.15Å; C36-V62 PolarHBondContact N-O 3.17Å; V62-D64 HydrophobicContact CG1-CB 4.46Å |
| 63 | H | 69.9 | Low | 72.5 | Confident | 60 Ų | 60 | 71.2 Ų | 71.2 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | trans | -105.5 | 95 | 174.3 | -77.5 | -167.5 | 0 | 0 | 0 | 108 | C36 H39 C44 C59 K61 | C36-H63 WeakPolarHBondContact CB-CD2 3.23Å; C36-H63 VanDerWaalsContact CB-NE2 3.25Å; C36-H63 WeakPolarHBondContact CB-NE2 3.49Å; C36-H63 PolarHBondContact SG-NE2 2.87Å; C36-H63 VanDerWaalsContact SG-NE2 3.4Å; H39-H63 AromaticContact CD2-CG 3.87Å; H39-H63 VanDerWaalsContact CE1-CB 3.48Å; H39-H63 WeakPolarHBondContact CE1-CB 3.41Å; H39-H63 AromaticContact CE1-CG 3.52Å; H39-H63 AromaticContact CE1-ND1 3.52Å; H39-H63 AromaticContact CG-CD2 3.54Å; H39-H63 AromaticContact CG-CE1 3.95Å; H39-H63 AromaticContact CG-CG 3.51Å; H39-H63 AromaticContact CG-ND1 3.79Å; H39-H63 AromaticContact CG-NE2 3.81Å; H39-H63 AromaticContact ND1-CD2 3.72Å; H39-H63 AromaticContact ND1-CE1 3.47Å; H39-H63 PolarHBondContact ND1-CE1 3.13Å; H39-H63 AromaticContact ND1-CG 3.28Å; H39-H63 VanDerWaalsContact ND1-CG 3.28Å; H39-H63 AromaticContact ND1-ND1 3.12Å; H39-H63 PolarHBondContact ND1-ND1 3.11Å; H39-H63 VanDerWaalsContact ND1-ND1 3.12Å; H39-H63 AromaticContact ND1-NE2 3.82Å; H39-H63 AromaticContact NE2-CG 3.91Å; C44-H63 VanDerWaalsContact SG-CE1 3.5Å; C59-H63 WeakPolarHBondContact CB-CE1 3.39Å; C59-H63 WeakPolarHBondContact CB-NE2 3.47Å; K61-H63 PolarHBondContact O-CD2 3.32Å; K61-H63 PolarHBondContact O-N 2.79Å | ||
| 64 | D | 76.5 | Confident | 73 | Confident | 68 Ų | 68 | 60.8 Ų | 60.8 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | trans | -118.3 | 123.8 | 172.3 | -165.2 | -14.4 | 0 | 0 | 0 | 109.1 | V62 A66 L67 | V62-D64 HydrophobicContact CG1-CB 4.46Å; D64-A66 PolarHBondContact O-N 3.02Å; D64-A66 WeakPolarHBondContact OD1-CB 3.13Å; D64-A66 PolarHBondContact OD1-N 3.19Å; D64-L67 HydrophobicContact CB-CB 4.46Å; D64-L67 HydrophobicContact CB-CD1 4Å; D64-L67 HydrophobicContact CB-CG 4.03Å; D64-L67 PolarHBondContact O-N 3.49Å | ||
| 65 | L | 73.8 | Confident | 73.5 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.3 | -29.2 | 177.4 | -64.5 | 179.4 | 0 | 0 | 0 | 111.3 | Q13 L67 R68 A69 | Q13-L65 HydrophobicContact CG-CB 3.79Å; Q13-L65 HydrophobicContact CG-CD1 4.04Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.47Å; L65-R68 VanDerWaalsContact CD2-CZ 3.46Å; L65-R68 VanDerWaalsContact O-CB 3.25Å; L65-R68 WeakPolarHBondContact O-CB 3.31Å; L65-R68 PolarHBondContact O-N 3.05Å; L65-R68 VanDerWaalsContact O-N 3.13Å; L65-A69 PolarHBondContact O-N 2.76Å |
| 66 | A | 73.8 | Confident | 73.6 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.017 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D12 T17 D64 R68 A69 D70 | D12-A66 HydrophobicContact CB-CB 3.82Å; D12-A66 WeakPolarHBondContact O-CA 3.16Å; D12-A66 WeakPolarHBondContact O-CB 3.46Å; T17-A66 HydrophobicContact CG2-CB 3.51Å; D64-A66 PolarHBondContact O-N 3.02Å; D64-A66 WeakPolarHBondContact OD1-CB 3.13Å; D64-A66 PolarHBondContact OD1-N 3.19Å; A66-R68 PolarHBondContact O-N 3.34Å; A66-A69 PolarHBondContact O-N 3.36Å; A66-D70 PolarHBondContact O-N 2.91Å |
| 67 | L | 72.9 | Confident | 73.6 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.6 | -22.7 | 175.3 | -63.1 | 177 | 0 | 0 | 0 | 112.4 | T17 I28 V35 L40 D64 L65 Y71 | T17-L67 HydrophobicContact CG2-CD2 4.31Å; I28-L67 HydrophobicContact CG2-CD1 4.47Å; V35-L67 HydrophobicContact CG1-CD1 3.97Å; V35-L67 HydrophobicContact CG2-CD1 3.64Å; L40-L67 HydrophobicContact CD2-CB 4.05Å; L40-L67 WeakPolarHBondContact CD2-O 3.25Å; D64-L67 HydrophobicContact CB-CB 4.46Å; D64-L67 HydrophobicContact CB-CD1 4Å; D64-L67 HydrophobicContact CB-CG 4.03Å; D64-L67 PolarHBondContact O-N 3.49Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.47Å; L67-Y71 WeakPolarHBondContact O-CB 3.33Å; L67-Y71 PolarHBondContact O-N 3.43Å |
| 68 | R | 72.2 | Confident | 72.8 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 12% | 0.117 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.9 | -48.4 | 172.7 | -57.1 | -174.5 | 165.4 | 170 | -7 | 111.1 | H39 L40 N42 D47 L65 A66 D70 Y71 E72 | H39-R68 PolarHBondContact CD2-NE 3Å; H39-R68 PolarHBondContact CD2-NH2 3.42Å; H39-R68 PolarHBondContact CE1-NH2 3.12Å; H39-R68 PolarHBondContact ND1-NH2 3.03Å; H39-R68 PolarHBondContact NE2-NE 3.47Å; H39-R68 VanDerWaalsContact NE2-NE 3.19Å; H39-R68 PolarHBondContact NE2-NH2 3.46Å; H39-R68 VanDerWaalsContact NE2-NH2 3.11Å; H39-R68 VanDerWaalsContact O-CZ 3.25Å; H39-R68 PolarHBondContact O-NE 3.4Å; H39-R68 PolarHBondContact O-NH2 3.21Å; H39-R68 VanDerWaalsContact O-NH2 3.11Å; L40-R68 HydrophobicContact CD2-CB 4.5Å; L40-R68 HydrophobicContact CD2-CG 4.11Å; N42-R68 PolarHBondContact OD1-NE 3.12Å; N42-R68 PolarHBondContact OD1-NH1 2.98Å; D47-R68 IonicContact OD2-NH2 3.06Å; D47-R68 PolarHBondContact OD2-NH2 3.01Å; D47-R68 VanDerWaalsContact OD2-NH2 3.15Å; L65-R68 VanDerWaalsContact CD2-CZ 3.46Å; L65-R68 VanDerWaalsContact O-CB 3.25Å; L65-R68 WeakPolarHBondContact O-CB 3.31Å; L65-R68 PolarHBondContact O-N 3.05Å; L65-R68 VanDerWaalsContact O-N 3.13Å; A66-R68 PolarHBondContact O-N 3.34Å; R68-D70 VanDerWaalsContact C-N 3.28Å; R68-D70 PolarHBondContact O-N 3.03Å; R68-Y71 CarbonylContact O-C 3.57Å; R68-Y71 WeakPolarHBondContact O-CA 3.41Å; R68-Y71 WeakPolarHBondContact O-CB 3.32Å; R68-Y71 PolarHBondContact O-N 2.99Å; R68-E72 PolarHBondContact O-N 2.68Å |
| 69 | A | 71.8 | Confident | 72.7 | Confident | 16 Ų | 16 | 66.9 Ų | 66.9 | 13% | 0.132 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L65 A66 Y71 E72 I73 | L65-A69 PolarHBondContact O-N 2.76Å; A66-A69 PolarHBondContact O-N 3.36Å; A69-Y71 VanDerWaalsContact C-N 3.34Å; A69-Y71 PolarHBondContact O-N 2.69Å; A69-E72 PolarHBondContact O-N 3.44Å; A69-I73 VanDerWaalsContact O-CG1 3.32Å; A69-I73 WeakPolarHBondContact O-CG1 3.25Å; A69-I73 PolarHBondContact O-N 3.29Å |
| 70 | D | 78.4 | Confident | 72.5 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 173.7 | -68.4 | -45.4 | 0 | 0 | 0 | 111.6 | T17 S18 F30 A66 R68 A74 | T17-D70 PolarHBondContact N-OD1 3.47Å; T17-D70 PolarHBondContact N-OD2 3.4Å; T17-D70 PolarHBondContact OG1-OD2 3.11Å; S18-D70 PolarHBondContact OG-OD1 3.45Å; F30-D70 HydrophobicContact CD1-CB 4.25Å; A66-D70 PolarHBondContact O-N 2.91Å; R68-D70 VanDerWaalsContact C-N 3.28Å; R68-D70 PolarHBondContact O-N 3.03Å; D70-A74 VanDerWaalsContact O-CB 3.29Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 2.95Å |
| 71 | Y | 73.6 | Confident | 72.4 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 176.1 | 176.3 | -105.6 | 0 | 0 | 0 | 113.3 | L40 L41 L67 R68 A69 I73 A74 S75 F80 F82 | L40-Y71 HydrophobicContact CB-CD1 4.13Å; L40-Y71 HydrophobicContact CB-CG 4.32Å; L40-Y71 HydrophobicContact CD1-CG 4.36Å; L41-Y71 HydrophobicContact CD2-CE1 3.66Å; L41-Y71 HydrophobicContact CG-CE1 4.34Å; L67-Y71 WeakPolarHBondContact O-CB 3.33Å; L67-Y71 PolarHBondContact O-N 3.43Å; R68-Y71 CarbonylContact O-C 3.57Å; R68-Y71 WeakPolarHBondContact O-CA 3.41Å; R68-Y71 WeakPolarHBondContact O-CB 3.32Å; R68-Y71 PolarHBondContact O-N 2.99Å; A69-Y71 VanDerWaalsContact C-N 3.34Å; A69-Y71 PolarHBondContact O-N 2.69Å; Y71-I73 VanDerWaalsContact C-N 3.27Å; Y71-I73 PolarHBondContact O-N 2.69Å; Y71-A74 PolarHBondContact O-N 2.94Å; Y71-S75 WeakPolarHBondContact O-CB 3.28Å; Y71-S75 PolarHBondContact O-N 2.74Å; Y71-F80 HydrophobicContact CD2-CD2 4.42Å; Y71-F80 HydrophobicContact CE2-CB 4.43Å; Y71-F80 HydrophobicContact CE2-CD2 4.01Å; Y71-F82 AromaticContact CD2-CD2 3.75Å; Y71-F82 HydrophobicContact CD2-CD2 3.75Å; Y71-F82 AromaticContact CD2-CE2 3.94Å; Y71-F82 HydrophobicContact CD2-CE2 3.94Å; Y71-F82 AromaticContact CE2-CD2 3.28Å; Y71-F82 HydrophobicContact CE2-CD2 3.28Å; Y71-F82 AromaticContact CE2-CE2 3.82Å; Y71-F82 HydrophobicContact CE2-CE2 3.82Å; Y71-F82 HydrophobicContact CE2-CG 4.35Å |
| 72 | E | 77 | Confident | 72.3 | Confident | 111 Ų | 111 | 62.9 Ų | 62.9 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -34.5 | 177.8 | -74.1 | -174.9 | 179.8 | 0 | 0 | 112.4 | R68 A69 K76 | R68-E72 PolarHBondContact O-N 2.68Å; A69-E72 PolarHBondContact O-N 3.44Å; E72-K76 WeakPolarHBondContact O-CG 3.42Å |
| 73 | I | 77.3 | Confident | 72.4 | Confident | 93 Ų | 93 | 61 Ų | 61 | 48% | 0.477 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.2 | -49.9 | 172.2 | -63.6 | 165.8 | 0 | 0 | 0 | 109.4 | A69 Y71 S75 K76 | A69-I73 VanDerWaalsContact O-CG1 3.32Å; A69-I73 WeakPolarHBondContact O-CG1 3.25Å; A69-I73 PolarHBondContact O-N 3.29Å; Y71-I73 VanDerWaalsContact C-N 3.27Å; Y71-I73 PolarHBondContact O-N 2.69Å; I73-S75 PolarHBondContact O-N 3.21Å; I73-K76 PolarHBondContact O-N 3.47Å |
| 74 | A | 76.7 | Confident | 72.8 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67 | -33.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F30 D70 Y71 K76 E77 Q78 F80 | F30-A74 HydrophobicContact CE1-CB 4.5Å; F30-A74 HydrophobicContact CE2-CB 4.27Å; F30-A74 HydrophobicContact CZ-CB 3.98Å; D70-A74 VanDerWaalsContact O-CB 3.29Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 2.95Å; Y71-A74 PolarHBondContact O-N 2.94Å; A74-K76 PolarHBondContact O-N 2.96Å; A74-E77 PolarHBondContact O-N 3.14Å; A74-Q78 PolarHBondContact O-N 3.45Å; A74-F80 HydrophobicContact CB-CE2 3.62Å; A74-F80 HydrophobicContact CB-CZ 4.09Å |
| 75 | S | 73.8 | Confident | 73.1 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.7 | -21.1 | 179.8 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | Y71 I73 E77 | Y71-S75 WeakPolarHBondContact O-CB 3.28Å; Y71-S75 PolarHBondContact O-N 2.74Å; I73-S75 PolarHBondContact O-N 3.21Å; S75-E77 VanDerWaalsContact C-N 3.35Å |
| 76 | K | 72.7 | Confident | 73.5 | Confident | 178 Ų | 178 | 57.4 Ų | 57.4 | 77% | 0.774 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -75.1 | -29.7 | 172.2 | -67.6 | 169.1 | -175.5 | 169.3 | 0 | 111.6 | E72 I73 A74 | E72-K76 WeakPolarHBondContact O-CG 3.42Å; I73-K76 PolarHBondContact O-N 3.47Å; A74-K76 PolarHBondContact O-N 2.96Å |
| 77 | E | 66 | Low | 74 | Confident | 157 Ų | 157 | 58.5 Ų | 58.5 | 73% | 0.734 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -90.7 | -37.2 | -177.7 | -60.7 | -169.4 | 164.9 | 0 | 0 | 112.3 | A74 S75 | A74-E77 PolarHBondContact O-N 3.14Å; S75-E77 VanDerWaalsContact C-N 3.35Å |
| 78 | Q | 59.2 | Low | 74.7 | Confident | 121 Ų | 121 | 62.3 Ų | 62.3 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | trans | -144.2 | 136 | -174.7 | -60.5 | -174.4 | 15.2 | 0 | 0 | 112.7 | A74 F80 | A74-Q78 PolarHBondContact O-N 3.45Å; Q78-F80 HydrophobicContact CB-CE1 4.42Å; Q78-F80 HydrophobicContact CB-CE2 3.94Å; Q78-F80 HydrophobicContact CB-CZ 3.87Å; Q78-F80 VanDerWaalsContact O-CD2 3.23Å; Q78-F80 WeakPolarHBondContact O-CD2 3.43Å; Q78-F80 WeakPolarHBondContact O-CE2 3.08Å; Q78-F80 PolarHBondContact O-N 3.35Å | ||
| 79 | D | 65.4 | Low | 75.3 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | trans | -77.6 | 105.2 | 170 | -78 | -52.4 | 0 | 0 | 0 | 110.4 | F81 K235 | D79-F81 WeakPolarHBondContact O-CD2 3.41Å; D79-K235 WeakPolarHBondContact OD1-CE 3.48Å; D79-K235 IonicContact OD1-NZ 2.69Å; D79-K235 PolarHBondContact OD1-NZ 3.25Å | ||
| 80 | F | 67.5 | Low | 76 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | trans | -85.6 | -4.7 | 179.1 | -66.4 | -78.1 | 0 | 0 | 0 | 114.7 | F30 Y71 A74 Q78 F82 | F30-F80 HydrophobicContact CE2-CE1 4.07Å; F30-F80 HydrophobicContact CE2-CE2 4.14Å; F30-F80 AromaticContact CE2-CZ 3.84Å; F30-F80 HydrophobicContact CE2-CZ 3.84Å; F30-F80 HydrophobicContact CZ-CZ 4.13Å; Y71-F80 HydrophobicContact CD2-CD2 4.42Å; Y71-F80 HydrophobicContact CE2-CB 4.43Å; Y71-F80 HydrophobicContact CE2-CD2 4.01Å; A74-F80 HydrophobicContact CB-CE2 3.62Å; A74-F80 HydrophobicContact CB-CZ 4.09Å; Q78-F80 HydrophobicContact CB-CE1 4.42Å; Q78-F80 HydrophobicContact CB-CE2 3.94Å; Q78-F80 HydrophobicContact CB-CZ 3.87Å; Q78-F80 VanDerWaalsContact O-CD2 3.23Å; Q78-F80 WeakPolarHBondContact O-CD2 3.43Å; Q78-F80 WeakPolarHBondContact O-CE2 3.08Å; Q78-F80 PolarHBondContact O-N 3.35Å; F80-F82 HydrophobicContact CB-CD1 4.23Å; F80-F82 HydrophobicContact CB-CD2 3.67Å; F80-F82 HydrophobicContact CB-CE1 4.13Å; F80-F82 HydrophobicContact CB-CE2 3.51Å; F80-F82 HydrophobicContact CB-CG 4.01Å; F80-F82 HydrophobicContact CB-CZ 3.76Å; F80-F82 HydrophobicContact CD1-CE2 4.43Å; F80-F82 HydrophobicContact CD1-CZ 4.35Å; F80-F82 HydrophobicContact CD2-CE2 4.42Å; F80-F82 HydrophobicContact CG-CD2 4.42Å; F80-F82 AromaticContact CG-CE2 3.88Å; F80-F82 HydrophobicContact CG-CE2 3.88Å; F80-F82 HydrophobicContact CG-CZ 4.18Å; F80-F82 PolarHBondContact O-N 2.92Å; F80-F82 VanDerWaalsContact O-N 3.11Å | ||
| 81 | F | 69.2 | Low | 76.5 | Confident | 119 Ų | 119 | 67.6 Ų | 67.6 | 52% | 0.522 | 33% | 0.328 | S | S | . | . | trans | 58.9 | 15 | -176 | -57.9 | -86 | 0 | 0 | 0 | 115.3 | D79 E83 L84 | D79-F81 WeakPolarHBondContact O-CD2 3.41Å; F81-E83 PolarHBondContact O-N 2.73Å; F81-E83 VanDerWaalsContact O-N 3.12Å; F81-L84 HydrophobicContact CB-CD1 4.26Å; F81-L84 HydrophobicContact CD1-CD1 4.07Å; F81-L84 WeakPolarHBondContact O-CB 3.41Å; F81-L84 PolarHBondContact O-N 3.19Å | ||
| 82 | F | 74.1 | Confident | 77.2 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61 | -20.6 | 173.6 | -61.1 | -31.9 | 0 | 0 | 0 | 113.1 | F30 K37 Y71 F80 L84 D85 A86 | F30-F82 HydrophobicContact CD2-CE2 4.3Å; K37-F82 HydrophobicContact CB-CB 4.31Å; K37-F82 HydrophobicContact CD-CD1 3.7Å; K37-F82 HydrophobicContact CD-CE1 4.2Å; K37-F82 HydrophobicContact CD-CG 4.35Å; K37-F82 HydrophobicContact CG-CD1 4.08Å; K37-F82 HydrophobicContact CG-CG 4.33Å; Y71-F82 AromaticContact CD2-CD2 3.75Å; Y71-F82 HydrophobicContact CD2-CD2 3.75Å; Y71-F82 AromaticContact CD2-CE2 3.94Å; Y71-F82 HydrophobicContact CD2-CE2 3.94Å; Y71-F82 AromaticContact CE2-CD2 3.28Å; Y71-F82 HydrophobicContact CE2-CD2 3.28Å; Y71-F82 AromaticContact CE2-CE2 3.82Å; Y71-F82 HydrophobicContact CE2-CE2 3.82Å; Y71-F82 HydrophobicContact CE2-CG 4.35Å; F80-F82 HydrophobicContact CB-CD1 4.23Å; F80-F82 HydrophobicContact CB-CD2 3.67Å; F80-F82 HydrophobicContact CB-CE1 4.13Å; F80-F82 HydrophobicContact CB-CE2 3.51Å; F80-F82 HydrophobicContact CB-CG 4.01Å; F80-F82 HydrophobicContact CB-CZ 3.76Å; F80-F82 HydrophobicContact CD1-CE2 4.43Å; F80-F82 HydrophobicContact CD1-CZ 4.35Å; F80-F82 HydrophobicContact CD2-CE2 4.42Å; F80-F82 HydrophobicContact CG-CD2 4.42Å; F80-F82 AromaticContact CG-CE2 3.88Å; F80-F82 HydrophobicContact CG-CE2 3.88Å; F80-F82 HydrophobicContact CG-CZ 4.18Å; F80-F82 PolarHBondContact O-N 2.92Å; F80-F82 VanDerWaalsContact O-N 3.11Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 3.06Å; F82-D85 PolarHBondContact O-N 3.46Å; F82-A86 WeakPolarHBondContact O-CB 3.41Å; F82-A86 PolarHBondContact O-N 3.28Å |
| 83 | E | 78 | Confident | 77.7 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.6 | -34.7 | 170.8 | -65.4 | 167 | -178.8 | 0 | 0 | 112.8 | L41 F81 M87 L228 V231 V232 K235 | L41-E83 HydrophobicContact CD1-CG 4.28Å; F81-E83 PolarHBondContact O-N 2.73Å; F81-E83 VanDerWaalsContact O-N 3.12Å; E83-M87 WeakPolarHBondContact O-CB 3.29Å; E83-M87 PolarHBondContact O-N 3.43Å; E83-L228 HydrophobicContact CB-CD2 4.2Å; E83-L228 HydrophobicContact CG-CD2 4.17Å; E83-V231 WeakPolarHBondContact OE2-CG1 3.2Å; E83-V232 HydrophobicContact CB-CG2 4.31Å; E83-K235 IonicContact OE1-NZ 3.23Å; E83-K235 PolarHBondContact OE1-NZ 3.33Å; E83-K235 WeakPolarHBondContact OE2-CD 3.45Å; E83-K235 VanDerWaalsContact OE2-CE 3.25Å; E83-K235 WeakPolarHBondContact OE2-CE 3.42Å; E83-K235 IonicContact OE2-NZ 2.68Å; E83-K235 PolarHBondContact OE2-NZ 2.78Å |
| 84 | L | 79.6 | Confident | 78.2 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 32% | 0.319 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.7 | -50.5 | 178.8 | -66.3 | 178.1 | 0 | 0 | 0 | 110.7 | F81 F82 A86 M87 D88 V232 | F81-L84 HydrophobicContact CB-CD1 4.26Å; F81-L84 HydrophobicContact CD1-CD1 4.07Å; F81-L84 WeakPolarHBondContact O-CB 3.41Å; F81-L84 PolarHBondContact O-N 3.19Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 3.06Å; L84-A86 VanDerWaalsContact C-N 3.27Å; L84-A86 PolarHBondContact O-N 2.71Å; L84-M87 HydrophobicContact CD2-CE 4.47Å; L84-M87 PolarHBondContact O-N 3.39Å; L84-D88 PolarHBondContact O-N 2.71Å; L84-V232 HydrophobicContact CD2-CB 4.35Å; L84-V232 HydrophobicContact CD2-CG1 3.58Å; L84-V232 HydrophobicContact CD2-CG2 3.74Å |
| 85 | D | 83 | Confident | 78.8 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 177.1 | -69.3 | -4.7 | 0 | 0 | 0 | 110.9 | K37 F82 D88 H89 | K37-D85 HydrophobicContact CD-CB 4.03Å; K37-D85 WeakPolarHBondContact CD-OD2 3.28Å; K37-D85 WeakPolarHBondContact CE-OD2 3.14Å; K37-D85 IonicContact NZ-OD2 3.12Å; K37-D85 PolarHBondContact NZ-OD2 3.49Å; F82-D85 PolarHBondContact O-N 3.46Å; D85-D88 PolarHBondContact O-N 2.8Å; D85-H89 WeakPolarHBondContact O-CB 3.48Å; D85-H89 PolarHBondContact O-CD2 3.49Å; D85-H89 VanDerWaalsContact O-CD2 3.25Å; D85-H89 PolarHBondContact O-N 2.64Å |
| 86 | A | 81.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L41 F82 L84 H89 L90 L228 | L41-A86 HydrophobicContact CD1-CB 3.57Å; F82-A86 WeakPolarHBondContact O-CB 3.41Å; F82-A86 PolarHBondContact O-N 3.28Å; L84-A86 VanDerWaalsContact C-N 3.27Å; L84-A86 PolarHBondContact O-N 2.71Å; A86-H89 PolarHBondContact O-N 2.65Å; A86-L90 WeakPolarHBondContact O-CB 3.2Å; A86-L90 VanDerWaalsContact O-CG 3.28Å; A86-L90 WeakPolarHBondContact O-CG 3.26Å; A86-L90 PolarHBondContact O-N 3.38Å; A86-L228 HydrophobicContact CB-CD1 4.37Å |
| 87 | M | 83.6 | Confident | 80.1 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175 | -177.6 | -163.1 | 71.9 | 0 | 0 | 111.1 | E83 L84 L90 Q91 L225 L228 K229 V232 | E83-M87 WeakPolarHBondContact O-CB 3.29Å; E83-M87 PolarHBondContact O-N 3.43Å; L84-M87 HydrophobicContact CD2-CE 4.47Å; L84-M87 PolarHBondContact O-N 3.39Å; M87-L90 PolarHBondContact O-N 2.99Å; M87-Q91 WeakPolarHBondContact O-CB 3.41Å; M87-Q91 PolarHBondContact O-N 3.25Å; M87-L225 HydrophobicContact CG-CD2 4.13Å; M87-L228 HydrophobicContact CB-CB 4.43Å; M87-K229 HydrophobicContact CG-CG 4.33Å; M87-K229 HydrophobicContact SD-CG 4.08Å; M87-V232 HydrophobicContact SD-CB 4.46Å; M87-V232 HydrophobicContact SD-CG1 4.5Å; M87-V232 HydrophobicContact SD-CG2 4.27Å |
| 88 | D | 86.9 | Confident | 81.2 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 179 | -71.7 | -19.1 | 0 | 0 | 0 | 111.6 | L84 D85 Q91 S92 | L84-D88 PolarHBondContact O-N 2.71Å; D85-D88 PolarHBondContact O-N 2.8Å; D88-Q91 PolarHBondContact O-N 3.36Å; D88-S92 WeakPolarHBondContact O-CB 3.28Å; D88-S92 PolarHBondContact O-N 3.1Å; D88-S92 PolarHBondContact O-OG 3.44Å |
| 89 | H | 85.7 | Confident | 82.6 | Confident | 75 Ų | 75 | 54.1 Ų | 54.1 | 35% | 0.347 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 174.6 | -68.6 | 176.9 | 0 | 0 | 0 | 112.3 | D85 A86 S92 F93 | D85-H89 WeakPolarHBondContact O-CB 3.48Å; D85-H89 PolarHBondContact O-CD2 3.49Å; D85-H89 VanDerWaalsContact O-CD2 3.25Å; D85-H89 PolarHBondContact O-N 2.64Å; A86-H89 PolarHBondContact O-N 2.65Å; H89-S92 WeakPolarHBondContact CA-OG 3.28Å; H89-S92 PolarHBondContact O-OG 3Å; H89-F93 WeakPolarHBondContact O-CB 3.32Å; H89-F93 PolarHBondContact O-N 3.48Å; H89-F93 VanDerWaalsContact O-N 3.07Å |
| 90 | L | 85.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.1 | -35.5 | 178.5 | -71.1 | 166.4 | 0 | 0 | 0 | 112 | C43 P45 A86 M87 F93 I94 I221 L225 L228 | C43-L90 HydrophobicContact CB-CD1 3.76Å; C43-L90 HydrophobicContact CB-CD2 4.31Å; C43-L90 HydrophobicContact CB-CG 4.5Å; C43-L90 VanDerWaalsContact O-CD2 3.23Å; C43-L90 WeakPolarHBondContact O-CD2 3.23Å; P45-L90 HydrophobicContact CG-CD2 3.87Å; A86-L90 WeakPolarHBondContact O-CB 3.2Å; A86-L90 VanDerWaalsContact O-CG 3.28Å; A86-L90 WeakPolarHBondContact O-CG 3.26Å; A86-L90 PolarHBondContact O-N 3.38Å; M87-L90 PolarHBondContact O-N 2.99Å; L90-F93 PolarHBondContact O-N 3.17Å; L90-I94 WeakPolarHBondContact O-CG1 3.18Å; L90-I94 PolarHBondContact O-N 3.26Å; L90-I221 HydrophobicContact CD2-CG2 3.8Å; L90-L225 VanDerWaalsContact C-CD1 3.48Å; L90-L225 HydrophobicContact CB-CD1 3.63Å; L90-L225 HydrophobicContact CB-CD2 3.3Å; L90-L225 HydrophobicContact CB-CG 3.38Å; L90-L225 HydrophobicContact CD1-CD2 3.93Å; L90-L225 HydrophobicContact CD1-CG 4.01Å; L90-L225 HydrophobicContact CG-CD2 4.28Å; L90-L225 HydrophobicContact CG-CG 4.27Å; L90-L225 WeakPolarHBondContact O-CD1 3.46Å; L90-L228 HydrophobicContact CD1-CD1 3.53Å |
| 91 | Q | 89.5 | Confident | 84.6 | Confident | 95 Ų | 95 | 53.8 Ų | 53.8 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 178.3 | -178.3 | 175 | -19.4 | 0 | 0 | 111 | M87 D88 A95 | M87-Q91 WeakPolarHBondContact O-CB 3.41Å; M87-Q91 PolarHBondContact O-N 3.25Å; D88-Q91 PolarHBondContact O-N 3.36Å; Q91-A95 WeakPolarHBondContact O-CB 3.23Å; Q91-A95 PolarHBondContact O-N 2.99Å |
| 92 | S | 88.2 | Confident | 85.6 | Confident | 61 Ų | 61 | 53 Ų | 53 | 43% | 0.427 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 171.1 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | D88 H89 A95 D96 | D88-S92 WeakPolarHBondContact O-CB 3.28Å; D88-S92 PolarHBondContact O-N 3.1Å; D88-S92 PolarHBondContact O-OG 3.44Å; H89-S92 WeakPolarHBondContact CA-OG 3.28Å; H89-S92 PolarHBondContact O-OG 3Å; S92-A95 PolarHBondContact O-N 2.96Å; S92-D96 PolarHBondContact O-N 2.85Å |
| 93 | F | 86.8 | Confident | 86.4 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 13% | 0.127 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.2 | -174.2 | -106.6 | 0 | 0 | 0 | 113.3 | P45 L49 L56 H89 L90 D96 C97 F218 I221 | P45-F93 HydrophobicContact CB-CD1 3.95Å; P45-F93 HydrophobicContact CB-CD2 4.17Å; P45-F93 HydrophobicContact CB-CE1 4.03Å; P45-F93 HydrophobicContact CB-CE2 4.29Å; P45-F93 HydrophobicContact CB-CG 4.02Å; P45-F93 HydrophobicContact CB-CZ 4.22Å; P45-F93 HydrophobicContact CG-CB 4.24Å; P45-F93 HydrophobicContact CG-CD1 4.05Å; P45-F93 HydrophobicContact CG-CD2 4.45Å; P45-F93 HydrophobicContact CG-CG 3.96Å; L49-F93 HydrophobicContact CD1-CE1 3.79Å; L49-F93 HydrophobicContact CD1-CE2 4.35Å; L49-F93 HydrophobicContact CD1-CZ 3.35Å; L56-F93 HydrophobicContact CD1-CD2 4.18Å; L56-F93 HydrophobicContact CD1-CE2 3.58Å; L56-F93 HydrophobicContact CD1-CZ 4.22Å; L56-F93 HydrophobicContact CD2-CE2 4.41Å; L56-F93 HydrophobicContact CG-CE2 4.43Å; H89-F93 WeakPolarHBondContact O-CB 3.32Å; H89-F93 PolarHBondContact O-N 3.48Å; H89-F93 VanDerWaalsContact O-N 3.07Å; L90-F93 PolarHBondContact O-N 3.17Å; F93-D96 PolarHBondContact O-N 2.87Å; F93-C97 VanDerWaalsContact CZ-SG 3.57Å; F93-C97 PolarHBondContact O-N 2.97Å; F93-C97 PolarHBondContact O-SG 3.16Å; F93-F218 HydrophobicContact CE1-CD1 4.46Å; F93-F218 AromaticContact CE1-CE1 3.85Å; F93-F218 HydrophobicContact CE1-CE1 3.85Å; F93-F218 HydrophobicContact CZ-CE1 4.13Å; F93-I221 HydrophobicContact CD1-CG2 4.35Å; F93-I221 HydrophobicContact CE1-CD1 4.13Å |
| 94 | I | 87.9 | Confident | 86.9 | Confident | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 176.2 | -69.9 | -160.4 | 0 | 0 | 0 | 111 | L90 D96 C97 D98 I221 R222 L225 | L90-I94 WeakPolarHBondContact O-CG1 3.18Å; L90-I94 PolarHBondContact O-N 3.26Å; I94-D96 VanDerWaalsContact C-N 3.26Å; I94-D96 PolarHBondContact O-N 3.27Å; I94-C97 CarbonylContact O-C 3.51Å; I94-C97 PolarHBondContact O-N 2.97Å; I94-C97 VanDerWaalsContact O-N 3.09Å; I94-D98 VanDerWaalsContact CG2-OD2 3.24Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.43Å; I94-D98 WeakPolarHBondContact O-CB 3.3Å; I94-D98 PolarHBondContact O-N 2.84Å; I94-I221 HydrophobicContact CD1-CG2 4.09Å; I94-I221 HydrophobicContact CG1-CG2 4.08Å; I94-R222 HydrophobicContact CD1-CB 4.31Å; I94-R222 HydrophobicContact CD1-CG 3.55Å; I94-L225 HydrophobicContact CB-CD1 4.02Å; I94-L225 HydrophobicContact CD1-CB 4.41Å; I94-L225 HydrophobicContact CD1-CD1 3.19Å; I94-L225 HydrophobicContact CD1-CG 4.24Å; I94-L225 HydrophobicContact CG1-CD1 3.53Å |
| 95 | A | 89.7 | Confident | 87.3 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q91 S92 R99 | Q91-A95 WeakPolarHBondContact O-CB 3.23Å; Q91-A95 PolarHBondContact O-N 2.99Å; S92-A95 PolarHBondContact O-N 2.96Å; A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.39Å; A95-R99 WeakPolarHBondContact O-CD 3.37Å; A95-R99 WeakPolarHBondContact O-CG 3.23Å; A95-R99 PolarHBondContact O-N 3.35Å |
| 96 | D | 88.4 | Confident | 87.6 | Confident | 70 Ų | 70 | 59.2 Ų | 59.2 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.3 | -35.5 | 175.3 | -70.9 | -23.4 | 0 | 0 | 0 | 112.4 | S92 F93 I94 R99 R100 | S92-D96 PolarHBondContact O-N 2.85Å; F93-D96 PolarHBondContact O-N 2.87Å; I94-D96 VanDerWaalsContact C-N 3.26Å; I94-D96 PolarHBondContact O-N 3.27Å; D96-R99 IonicContact OD1-NH1 3.61Å; D96-R99 PolarHBondContact OD1-NH1 3.33Å; D96-R100 WeakPolarHBondContact O-CB 3.26Å; D96-R100 WeakPolarHBondContact O-CG 3.38Å; D96-R100 PolarHBondContact O-N 3Å |
| 97 | C | 85 | Confident | 87.8 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 8% | 0.081 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 173.4 | -66.9 | 0 | 0 | 0 | 0 | 111.8 | F93 I94 R99 R100 T101 F218 | F93-C97 VanDerWaalsContact CZ-SG 3.57Å; F93-C97 PolarHBondContact O-N 2.97Å; F93-C97 PolarHBondContact O-SG 3.16Å; I94-C97 CarbonylContact O-C 3.51Å; I94-C97 PolarHBondContact O-N 2.97Å; I94-C97 VanDerWaalsContact O-N 3.09Å; C97-R99 PolarHBondContact O-N 2.94Å; C97-R100 CarbonylContact O-C 3.6Å; C97-R100 WeakPolarHBondContact O-CA 3.3Å; C97-R100 WeakPolarHBondContact O-CB 3.36Å; C97-R100 PolarHBondContact O-N 3.32Å; C97-R100 VanDerWaalsContact O-N 3.1Å; C97-T101 VanDerWaalsContact O-CG2 3.32Å; C97-T101 WeakPolarHBondContact O-CG2 3.22Å; C97-T101 PolarHBondContact O-N 3.35Å; C97-F218 HydrophobicContact CB-CE1 4.4Å |
| 98 | D | 89.1 | Confident | 87.6 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 178.8 | -70.5 | -21.1 | 0 | 0 | 0 | 110.2 | I94 R100 T101 E102 R222 | I94-D98 VanDerWaalsContact CG2-OD2 3.24Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.43Å; I94-D98 WeakPolarHBondContact O-CB 3.3Å; I94-D98 PolarHBondContact O-N 2.84Å; D98-R100 VanDerWaalsContact C-N 3.3Å; D98-R100 PolarHBondContact O-N 2.82Å; D98-T101 WeakPolarHBondContact CA-OG1 3.34Å; D98-T101 CarbonylContact O-C 3.5Å; D98-T101 PolarHBondContact O-N 3.49Å; D98-T101 PolarHBondContact O-OG1 2.63Å; D98-E102 WeakPolarHBondContact O-CG 3.3Å; D98-E102 PolarHBondContact O-N 3.04Å; D98-R222 IonicContact OD1-CZ 3.61Å; D98-R222 IonicContact OD1-NH2 2.71Å; D98-R222 PolarHBondContact OD1-NH2 3.34Å |
| 99 | R | 90 | Very high | 87.5 | Confident | 155 Ų | 155 | 64.4 Ų | 64.4 | 59% | 0.585 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -55.5 | -44.2 | 171.2 | -76.1 | 167.1 | -177.1 | 170.2 | -2.8 | 112.2 | A95 D96 C97 E102 V103 | A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.39Å; A95-R99 WeakPolarHBondContact O-CD 3.37Å; A95-R99 WeakPolarHBondContact O-CG 3.23Å; A95-R99 PolarHBondContact O-N 3.35Å; D96-R99 IonicContact OD1-NH1 3.61Å; D96-R99 PolarHBondContact OD1-NH1 3.33Å; C97-R99 PolarHBondContact O-N 2.94Å; R99-E102 PolarHBondContact O-N 2.85Å; R99-V103 VanDerWaalsContact O-CG2 3.3Å; R99-V103 WeakPolarHBondContact O-CG2 3.45Å; R99-V103 PolarHBondContact O-N 3.4Å |
| 100 | R | 87.1 | Confident | 87.6 | Confident | 132 Ų | 132 | 65.9 Ų | 65.9 | 50% | 0.498 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 176 | -73 | 169.7 | -176 | -164.3 | 1.6 | 111.5 | D96 C97 D98 A104 | D96-R100 WeakPolarHBondContact O-CB 3.26Å; D96-R100 WeakPolarHBondContact O-CG 3.38Å; D96-R100 PolarHBondContact O-N 3Å; C97-R100 CarbonylContact O-C 3.6Å; C97-R100 WeakPolarHBondContact O-CA 3.3Å; C97-R100 WeakPolarHBondContact O-CB 3.36Å; C97-R100 PolarHBondContact O-N 3.32Å; C97-R100 VanDerWaalsContact O-N 3.1Å; D98-R100 VanDerWaalsContact C-N 3.3Å; D98-R100 PolarHBondContact O-N 2.82Å; R100-A104 WeakPolarHBondContact O-CB 3.43Å; R100-A104 PolarHBondContact O-N 3.21Å |
| 101 | T | 87.9 | Confident | 87.4 | Confident | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 176 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | C97 D98 A104 K105 | C97-T101 VanDerWaalsContact O-CG2 3.32Å; C97-T101 WeakPolarHBondContact O-CG2 3.22Å; C97-T101 PolarHBondContact O-N 3.35Å; D98-T101 WeakPolarHBondContact CA-OG1 3.34Å; D98-T101 CarbonylContact O-C 3.5Å; D98-T101 PolarHBondContact O-N 3.49Å; D98-T101 PolarHBondContact O-OG1 2.63Å; T101-A104 PolarHBondContact O-N 3.36Å; T101-K105 WeakPolarHBondContact O-CB 3.43Å; T101-K105 VanDerWaalsContact O-CG 3.25Å; T101-K105 WeakPolarHBondContact O-CG 3.26Å; T101-K105 PolarHBondContact O-N 2.8Å |
| 102 | E | 90.1 | Very high | 86.8 | Confident | 103 Ų | 103 | 67.6 Ų | 67.6 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 178.2 | -74.5 | 178.4 | -175.8 | 0 | 0 | 111.5 | D98 R99 A104 K105 K106 | D98-E102 WeakPolarHBondContact O-CG 3.3Å; D98-E102 PolarHBondContact O-N 3.04Å; R99-E102 PolarHBondContact O-N 2.85Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.44Å; E102-K105 PolarHBondContact O-N 3.11Å; E102-K106 WeakPolarHBondContact O-CB 3.37Å; E102-K106 VanDerWaalsContact O-CG 3.3Å; E102-K106 WeakPolarHBondContact O-CG 3.25Å; E102-K106 PolarHBondContact O-N 3.5Å |
| 103 | V | 90.4 | Very high | 86.5 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 42% | 0.418 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.2 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | R99 K106 R107 | R99-V103 VanDerWaalsContact O-CG2 3.3Å; R99-V103 WeakPolarHBondContact O-CG2 3.45Å; R99-V103 PolarHBondContact O-N 3.4Å; V103-K106 PolarHBondContact O-N 2.94Å; V103-R107 HydrophobicContact CG1-CG 4.48Å; V103-R107 WeakPolarHBondContact O-CB 3.07Å; V103-R107 VanDerWaalsContact O-CG 3.25Å; V103-R107 WeakPolarHBondContact O-CG 3.2Å; V103-R107 PolarHBondContact O-N 3.36Å |
| 104 | A | 87.9 | Confident | 86.2 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R100 T101 E102 L108 V189 | R100-A104 WeakPolarHBondContact O-CB 3.43Å; R100-A104 PolarHBondContact O-N 3.21Å; T101-A104 PolarHBondContact O-N 3.36Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.44Å; A104-L108 PolarHBondContact O-N 2.85Å; A104-V189 HydrophobicContact CB-CG1 4.16Å; A104-V189 HydrophobicContact CB-CG2 4.09Å |
| 105 | K | 87.9 | Confident | 85.8 | Confident | 81 Ų | 81 | 75.3 Ų | 75.3 | 35% | 0.352 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 175.4 | -76.8 | 174.7 | -179.2 | -179.1 | 0 | 111.8 | T101 E102 L108 A109 V189 | T101-K105 WeakPolarHBondContact O-CB 3.43Å; T101-K105 VanDerWaalsContact O-CG 3.25Å; T101-K105 WeakPolarHBondContact O-CG 3.26Å; T101-K105 PolarHBondContact O-N 2.8Å; E102-K105 PolarHBondContact O-N 3.11Å; K105-L108 PolarHBondContact O-N 2.91Å; K105-A109 WeakPolarHBondContact O-CB 3.39Å; K105-A109 PolarHBondContact O-N 3.39Å; K105-V189 HydrophobicContact CG-CB 3.91Å; K105-V189 HydrophobicContact CG-CG1 4.42Å; K105-V189 HydrophobicContact CG-CG2 4.16Å |
| 106 | K | 89.2 | Confident | 85.3 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 56% | 0.557 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.8 | -46.8 | 176.8 | -75.4 | 176.8 | -178.7 | 179.6 | 0 | 111.3 | E102 V103 L108 A109 E110 | E102-K106 WeakPolarHBondContact O-CB 3.37Å; E102-K106 VanDerWaalsContact O-CG 3.3Å; E102-K106 WeakPolarHBondContact O-CG 3.25Å; E102-K106 PolarHBondContact O-N 3.5Å; V103-K106 PolarHBondContact O-N 2.94Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-L108 PolarHBondContact O-N 3.01Å; K106-A109 PolarHBondContact O-N 3.3Å; K106-E110 WeakPolarHBondContact O-CB 3.47Å; K106-E110 VanDerWaalsContact O-CG 3.28Å; K106-E110 WeakPolarHBondContact O-CG 3.21Å; K106-E110 PolarHBondContact O-N 2.92Å |
| 107 | R | 86.5 | Confident | 85.1 | Confident | 154 Ų | 154 | 75.7 Ų | 75.7 | 58% | 0.581 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.8 | -42.8 | 175.6 | -73.3 | 173.8 | -177.9 | -178.9 | 0.8 | 112.5 | V103 T111 | V103-R107 HydrophobicContact CG1-CG 4.48Å; V103-R107 WeakPolarHBondContact O-CB 3.07Å; V103-R107 VanDerWaalsContact O-CG 3.25Å; V103-R107 WeakPolarHBondContact O-CG 3.2Å; V103-R107 PolarHBondContact O-N 3.36Å; R107-T111 VanDerWaalsContact O-CG2 3.3Å; R107-T111 WeakPolarHBondContact O-CG2 3.39Å; R107-T111 PolarHBondContact O-N 3Å; R107-T111 PolarHBondContact O-OG1 3.31Å |
| 108 | L | 80.8 | Confident | 84.9 | Confident | 23 Ų | 23 | 80.6 Ų | 80.6 | 12% | 0.12 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66 | -44 | 175.3 | -75.9 | -166.4 | 0 | 0 | 0 | 112.4 | A104 K105 K106 T111 Q112 L187 V189 Y196 | A104-L108 PolarHBondContact O-N 2.85Å; K105-L108 PolarHBondContact O-N 2.91Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-L108 PolarHBondContact O-N 3.01Å; L108-T111 WeakPolarHBondContact CA-OG1 3.43Å; L108-T111 PolarHBondContact O-N 3.46Å; L108-T111 PolarHBondContact O-OG1 3.49Å; L108-Q112 VanDerWaalsContact O-CB 3.24Å; L108-Q112 WeakPolarHBondContact O-CB 3.33Å; L108-Q112 PolarHBondContact O-N 3.39Å; L108-L187 HydrophobicContact CD1-CB 4.15Å; L108-L187 HydrophobicContact CD2-CB 4.46Å; L108-V189 HydrophobicContact CD1-CB 4.48Å; L108-V189 HydrophobicContact CD1-CG2 3.31Å; L108-V189 HydrophobicContact CG-CG2 3.89Å; L108-Y196 HydrophobicContact CD1-CD1 3.77Å; L108-Y196 HydrophobicContact CD1-CE1 3.82Å; L108-Y196 HydrophobicContact CD2-CD1 3.92Å; L108-Y196 HydrophobicContact CD2-CE1 3.51Å; L108-Y196 HydrophobicContact CG-CD1 4.09Å; L108-Y196 HydrophobicContact CG-CE1 3.64Å |
| 109 | A | 84.6 | Confident | 84.6 | Confident | 40 Ų | 40 | 79.5 Ų | 79.5 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | K105 K106 T111 Q112 E113 | K105-A109 WeakPolarHBondContact O-CB 3.39Å; K105-A109 PolarHBondContact O-N 3.39Å; K106-A109 PolarHBondContact O-N 3.3Å; A109-T111 PolarHBondContact O-N 2.78Å; A109-Q112 PolarHBondContact O-N 3.23Å; A109-Q112 VanDerWaalsContact O-N 3.17Å; A109-E113 VanDerWaalsContact O-CB 3.32Å; A109-E113 WeakPolarHBondContact O-CB 3.39Å; A109-E113 VanDerWaalsContact O-CG 3.29Å; A109-E113 WeakPolarHBondContact O-CG 3.24Å; A109-E113 PolarHBondContact O-N 2.91Å |
| 110 | E | 87.1 | Confident | 84.3 | Confident | 105 Ų | 105 | 74.3 Ų | 74.3 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 174.8 | -72.1 | 163.8 | -173.2 | 0 | 0 | 110.9 | K106 Q112 E113 E114 | K106-E110 WeakPolarHBondContact O-CB 3.47Å; K106-E110 VanDerWaalsContact O-CG 3.28Å; K106-E110 WeakPolarHBondContact O-CG 3.21Å; K106-E110 PolarHBondContact O-N 2.92Å; E110-Q112 VanDerWaalsContact C-N 3.31Å; E110-Q112 PolarHBondContact O-N 2.82Å; E110-E113 PolarHBondContact O-N 3.44Å; E110-E114 WeakPolarHBondContact O-CB 3.32Å; E110-E114 VanDerWaalsContact O-CG 3.26Å; E110-E114 WeakPolarHBondContact O-CG 3.25Å; E110-E114 PolarHBondContact O-N 3.27Å |
| 111 | T | 82.2 | Confident | 84.2 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 177.1 | 57.6 | 0 | 0 | 0 | 0 | 113 | R107 L108 A109 I115 | R107-T111 VanDerWaalsContact O-CG2 3.3Å; R107-T111 WeakPolarHBondContact O-CG2 3.39Å; R107-T111 PolarHBondContact O-N 3Å; R107-T111 PolarHBondContact O-OG1 3.31Å; L108-T111 WeakPolarHBondContact CA-OG1 3.43Å; L108-T111 PolarHBondContact O-N 3.46Å; L108-T111 PolarHBondContact O-OG1 3.49Å; A109-T111 PolarHBondContact O-N 2.78Å; T111-I115 WeakPolarHBondContact O-CB 3.35Å; T111-I115 VanDerWaalsContact O-CD1 3.27Å; T111-I115 WeakPolarHBondContact O-CD1 3.37Å; T111-I115 WeakPolarHBondContact O-CG1 3.33Å; T111-I115 PolarHBondContact O-N 2.89Å |
| 112 | Q | 76.7 | Confident | 84 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.8 | -40.6 | 178.6 | -179 | 170.4 | 8.2 | 0 | 0 | 110.9 | L108 A109 E110 S116 Q185 | L108-Q112 VanDerWaalsContact O-CB 3.24Å; L108-Q112 WeakPolarHBondContact O-CB 3.33Å; L108-Q112 PolarHBondContact O-N 3.39Å; A109-Q112 PolarHBondContact O-N 3.23Å; A109-Q112 VanDerWaalsContact O-N 3.17Å; E110-Q112 VanDerWaalsContact C-N 3.31Å; E110-Q112 PolarHBondContact O-N 2.82Å; Q112-S116 WeakPolarHBondContact O-CB 3.35Å; Q112-S116 PolarHBondContact O-N 3.47Å; Q112-S116 PolarHBondContact O-OG 3.3Å; Q112-Q185 HydrophobicContact CG-CB 4.44Å; Q112-Q185 HydrophobicContact CG-CG 4.24Å |
| 113 | E | 81.2 | Confident | 83.8 | Confident | 129 Ų | 129 | 67.6 Ų | 67.6 | 60% | 0.603 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.5 | -47.8 | 174.7 | -76.1 | 177.5 | -173.9 | 0 | 0 | 110.5 | A109 E110 I115 S116 A117 | A109-E113 VanDerWaalsContact O-CB 3.32Å; A109-E113 WeakPolarHBondContact O-CB 3.39Å; A109-E113 VanDerWaalsContact O-CG 3.29Å; A109-E113 WeakPolarHBondContact O-CG 3.24Å; A109-E113 PolarHBondContact O-N 2.91Å; E110-E113 PolarHBondContact O-N 3.44Å; E113-I115 PolarHBondContact O-N 3.33Å; E113-S116 WeakPolarHBondContact CA-OG 3.29Å; E113-S116 PolarHBondContact O-N 2.87Å; E113-S116 PolarHBondContact O-OG 3.42Å; E113-A117 VanDerWaalsContact O-CB 3.28Å; E113-A117 WeakPolarHBondContact O-CB 3.45Å; E113-A117 PolarHBondContact O-N 3.39Å |
| 114 | E | 81.3 | Confident | 83.7 | Confident | 123 Ų | 123 | 69.9 Ų | 69.9 | 58% | 0.575 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56.5 | -51.5 | 175.2 | -74.7 | 172.8 | 178.9 | 0 | 0 | 111.7 | E110 S116 A117 E118 | E110-E114 WeakPolarHBondContact O-CB 3.32Å; E110-E114 VanDerWaalsContact O-CG 3.26Å; E110-E114 WeakPolarHBondContact O-CG 3.25Å; E110-E114 PolarHBondContact O-N 3.27Å; E114-S116 VanDerWaalsContact C-N 3.32Å; E114-S116 PolarHBondContact O-N 3.46Å; E114-A117 PolarHBondContact O-N 2.84Å; E114-E118 WeakPolarHBondContact O-CB 3.45Å; E114-E118 WeakPolarHBondContact O-CG 3.43Å; E114-E118 PolarHBondContact O-N 3.29Å |
| 115 | I | 79 | Confident | 83.7 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 12% | 0.118 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 178.3 | -61.8 | 162.4 | 0 | 0 | 0 | 110.3 | T111 E113 V119 Q184 Q185 | T111-I115 WeakPolarHBondContact O-CB 3.35Å; T111-I115 VanDerWaalsContact O-CD1 3.27Å; T111-I115 WeakPolarHBondContact O-CD1 3.37Å; T111-I115 WeakPolarHBondContact O-CG1 3.33Å; T111-I115 PolarHBondContact O-N 2.89Å; E113-I115 PolarHBondContact O-N 3.33Å; I115-V119 HydrophobicContact CG2-CG2 4.34Å; I115-V119 WeakPolarHBondContact O-CB 3.44Å; I115-V119 WeakPolarHBondContact O-CG2 3.36Å; I115-V119 PolarHBondContact O-N 3.14Å; I115-Q184 HydrophobicContact CD1-CB 3.97Å; I115-Q185 HydrophobicContact CB-CG 4.33Å; I115-Q185 HydrophobicContact CD1-CG 4.43Å; I115-Q185 HydrophobicContact CG2-CG 4.05Å; I115-Q185 VanDerWaalsContact CG2-NE2 3.27Å |
| 116 | S | 80 | Confident | 83.7 | Confident | 54 Ų | 54 | 72 Ų | 72 | 38% | 0.378 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 179.9 | 73.1 | 0 | 0 | 0 | 0 | 112.7 | Q112 E113 E114 V119 A120 | Q112-S116 WeakPolarHBondContact O-CB 3.35Å; Q112-S116 PolarHBondContact O-N 3.47Å; Q112-S116 PolarHBondContact O-OG 3.3Å; E113-S116 WeakPolarHBondContact CA-OG 3.29Å; E113-S116 PolarHBondContact O-N 2.87Å; E113-S116 PolarHBondContact O-OG 3.42Å; E114-S116 VanDerWaalsContact C-N 3.32Å; E114-S116 PolarHBondContact O-N 3.46Å; S116-V119 PolarHBondContact O-N 3.08Å; S116-A120 VanDerWaalsContact O-CB 3.24Å; S116-A120 WeakPolarHBondContact O-CB 3.38Å; S116-A120 PolarHBondContact O-N 2.92Å |
| 117 | A | 82.7 | Confident | 83.7 | Confident | 58 Ų | 58 | 71.2 Ų | 71.2 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E113 E114 V119 A120 A121 | E113-A117 VanDerWaalsContact O-CB 3.28Å; E113-A117 WeakPolarHBondContact O-CB 3.45Å; E113-A117 PolarHBondContact O-N 3.39Å; E114-A117 PolarHBondContact O-N 2.84Å; A117-V119 VanDerWaalsContact C-N 3.34Å; A117-V119 PolarHBondContact O-N 3.28Å; A117-A120 PolarHBondContact O-N 2.91Å; A117-A121 WeakPolarHBondContact O-CB 3.47Å; A117-A121 PolarHBondContact O-N 3.37Å |
| 118 | E | 81.1 | Confident | 84 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 54% | 0.537 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 173.9 | -78.4 | -163.8 | -159.3 | 0 | 0 | 112.7 | E114 K122 | E114-E118 WeakPolarHBondContact O-CB 3.45Å; E114-E118 WeakPolarHBondContact O-CG 3.43Å; E114-E118 PolarHBondContact O-N 3.29Å; E118-K122 WeakPolarHBondContact O-CB 3.17Å; E118-K122 WeakPolarHBondContact O-CD 3.32Å; E118-K122 VanDerWaalsContact O-CG 3.23Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 3.5Å; E118-K122 VanDerWaalsContact O-N 3.15Å; E118-K122 IonicContact OE2-NZ 3.72Å; E118-K122 PolarHBondContact OE2-NZ 2.86Å; E118-K122 VanDerWaalsContact OE2-NZ 3.08Å |
| 119 | V | 82.6 | Confident | 84.4 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 17% | 0.17 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 177.2 | 170 | 0 | 0 | 0 | 0 | 110.6 | I115 S116 A117 K122 A123 Y173 M177 | I115-V119 HydrophobicContact CG2-CG2 4.34Å; I115-V119 WeakPolarHBondContact O-CB 3.44Å; I115-V119 WeakPolarHBondContact O-CG2 3.36Å; I115-V119 PolarHBondContact O-N 3.14Å; S116-V119 PolarHBondContact O-N 3.08Å; A117-V119 VanDerWaalsContact C-N 3.34Å; A117-V119 PolarHBondContact O-N 3.28Å; V119-K122 PolarHBondContact O-N 2.97Å; V119-A123 WeakPolarHBondContact O-CB 3.48Å; V119-A123 PolarHBondContact O-N 2.87Å; V119-Y173 HydrophobicContact CG1-CE2 4Å; V119-M177 HydrophobicContact CG1-CE 3.59Å; V119-M177 HydrophobicContact CG2-CE 4.46Å |
| 120 | A | 83.3 | Confident | 84.8 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -49 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S116 A117 K122 A123 E124 | S116-A120 VanDerWaalsContact O-CB 3.24Å; S116-A120 WeakPolarHBondContact O-CB 3.38Å; S116-A120 PolarHBondContact O-N 2.92Å; A117-A120 PolarHBondContact O-N 2.91Å; A120-K122 VanDerWaalsContact C-N 3.27Å; A120-K122 PolarHBondContact O-N 3.46Å; A120-A123 CarbonylContact O-C 3.5Å; A120-A123 WeakPolarHBondContact O-CB 3.21Å; A120-A123 PolarHBondContact O-N 3.48Å; A120-A123 VanDerWaalsContact O-N 3.1Å; A120-E124 WeakPolarHBondContact O-CG 3.28Å; A120-E124 PolarHBondContact O-N 3.45Å |
| 121 | A | 85.6 | Confident | 85 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.8 | -32.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A117 R125 | A117-A121 WeakPolarHBondContact O-CB 3.47Å; A117-A121 PolarHBondContact O-N 3.37Å; A121-R125 WeakPolarHBondContact O-CG 3.35Å; A121-R125 PolarHBondContact O-N 3.5Å |
| 122 | K | 82.9 | Confident | 85.5 | Confident | 33 Ų | 33 | 73.3 Ų | 73.3 | 14% | 0.143 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.5 | -37.1 | 174.2 | -70.9 | 170.5 | -164.4 | 154.2 | 0 | 111.7 | E118 V119 A120 R125 V126 Y173 S176 | E118-K122 WeakPolarHBondContact O-CB 3.17Å; E118-K122 WeakPolarHBondContact O-CD 3.32Å; E118-K122 VanDerWaalsContact O-CG 3.23Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 3.5Å; E118-K122 VanDerWaalsContact O-N 3.15Å; E118-K122 IonicContact OE2-NZ 3.72Å; E118-K122 PolarHBondContact OE2-NZ 2.86Å; E118-K122 VanDerWaalsContact OE2-NZ 3.08Å; V119-K122 PolarHBondContact O-N 2.97Å; A120-K122 VanDerWaalsContact C-N 3.27Å; A120-K122 PolarHBondContact O-N 3.46Å; K122-R125 PolarHBondContact O-N 3.32Å; K122-V126 PolarHBondContact O-N 3.44Å; K122-Y173 HydrophobicContact CB-CD2 3.82Å; K122-S176 WeakPolarHBondContact CD-OG 3.42Å; K122-S176 VanDerWaalsContact NZ-CB 3.27Å |
| 123 | A | 85.7 | Confident | 86.3 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 17% | 0.165 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V119 A120 R125 V126 H127 Y173 | V119-A123 WeakPolarHBondContact O-CB 3.48Å; V119-A123 PolarHBondContact O-N 2.87Å; A120-A123 CarbonylContact O-C 3.5Å; A120-A123 WeakPolarHBondContact O-CB 3.21Å; A120-A123 PolarHBondContact O-N 3.48Å; A120-A123 VanDerWaalsContact O-N 3.1Å; A123-R125 PolarHBondContact O-N 2.84Å; A123-V126 WeakPolarHBondContact O-CB 3.42Å; A123-V126 PolarHBondContact O-N 3.49Å; A123-V126 VanDerWaalsContact O-N 3.11Å; A123-H127 PolarHBondContact O-CD2 2.81Å; A123-H127 PolarHBondContact O-N 3.36Å; A123-Y173 HydrophobicContact CB-CE2 3.9Å |
| 124 | E | 88.9 | Confident | 86.8 | Confident | 117 Ų | 117 | 65.6 Ų | 65.6 | 55% | 0.547 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 175.3 | -75.7 | 174.8 | 174.3 | 0 | 0 | 111.5 | A120 V126 H127 E128 | A120-E124 WeakPolarHBondContact O-CG 3.28Å; A120-E124 PolarHBondContact O-N 3.45Å; E124-V126 VanDerWaalsContact C-N 3.28Å; E124-V126 PolarHBondContact O-N 3.17Å; E124-H127 CarbonylContact O-C 3.57Å; E124-H127 WeakPolarHBondContact O-CA 3.44Å; E124-H127 WeakPolarHBondContact O-CB 3.36Å; E124-H127 PolarHBondContact O-N 3.35Å; E124-E128 WeakPolarHBondContact O-CG 3.45Å; E124-E128 PolarHBondContact O-N 3.12Å |
| 125 | R | 87.6 | Confident | 87.4 | Confident | 121 Ų | 121 | 65.8 Ų | 65.8 | 46% | 0.457 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.3 | -38.2 | 174.5 | -75.4 | -170.1 | -73.6 | 160.8 | -11.4 | 113.4 | A121 K122 A123 L129 | A121-R125 WeakPolarHBondContact O-CG 3.35Å; A121-R125 PolarHBondContact O-N 3.5Å; K122-R125 PolarHBondContact O-N 3.32Å; A123-R125 PolarHBondContact O-N 2.84Å; R125-L129 WeakPolarHBondContact O-CG 3.48Å; R125-L129 PolarHBondContact O-N 3.46Å |
| 126 | V | 89.1 | Confident | 88.1 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.4 | -39.3 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | K122 A123 E124 N130 A169 E170 | K122-V126 PolarHBondContact O-N 3.44Å; A123-V126 WeakPolarHBondContact O-CB 3.42Å; A123-V126 PolarHBondContact O-N 3.49Å; A123-V126 VanDerWaalsContact O-N 3.11Å; E124-V126 VanDerWaalsContact C-N 3.28Å; E124-V126 PolarHBondContact O-N 3.17Å; V126-N130 WeakPolarHBondContact O-CB 3.28Å; V126-N130 VanDerWaalsContact O-CG 3.23Å; V126-N130 PolarHBondContact O-N 2.84Å; V126-N130 PolarHBondContact O-ND2 2.86Å; V126-A169 HydrophobicContact CG2-CB 4.14Å; V126-E170 HydrophobicContact CG1-CG 3.86Å; V126-E170 HydrophobicContact CG2-CG 4.12Å |
| 127 | H | 89.2 | Confident | 88.6 | Confident | 113 Ų | 113 | 65.9 Ų | 65.9 | 52% | 0.523 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 176.2 | -71.3 | -58.4 | 0 | 0 | 0 | 112.6 | A123 E124 L129 N130 E131 | A123-H127 PolarHBondContact O-CD2 2.81Å; A123-H127 PolarHBondContact O-N 3.36Å; E124-H127 CarbonylContact O-C 3.57Å; E124-H127 WeakPolarHBondContact O-CA 3.44Å; E124-H127 WeakPolarHBondContact O-CB 3.36Å; E124-H127 PolarHBondContact O-N 3.35Å; H127-L129 PolarHBondContact O-N 2.81Å; H127-N130 WeakPolarHBondContact O-CB 3.37Å; H127-N130 PolarHBondContact O-N 3.15Å; H127-N130 VanDerWaalsContact O-N 3.12Å; H127-E131 WeakPolarHBondContact O-CG 3.33Å; H127-E131 PolarHBondContact O-N 3.07Å |
| 128 | E | 91.8 | Very high | 89.1 | Confident | 110 Ų | 110 | 65.1 Ų | 65.1 | 51% | 0.514 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.6 | -48.6 | 176.1 | -71.4 | 172.3 | 171.5 | 0 | 0 | 111.5 | E124 N130 E131 E132 | E124-E128 WeakPolarHBondContact O-CG 3.45Å; E124-E128 PolarHBondContact O-N 3.12Å; E128-N130 VanDerWaalsContact C-N 3.28Å; E128-N130 PolarHBondContact O-N 2.86Å; E128-E131 PolarHBondContact O-N 2.88Å; E128-E131 VanDerWaalsContact O-N 3.15Å; E128-E132 WeakPolarHBondContact O-CG 3.35Å; E128-E132 PolarHBondContact O-N 3.42Å |
| 129 | L | 90.7 | Very high | 89.5 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 176 | -70.4 | 172.9 | 0 | 0 | 0 | 112.1 | R125 H127 E132 I133 K165 K166 A169 | R125-L129 WeakPolarHBondContact O-CG 3.48Å; R125-L129 PolarHBondContact O-N 3.46Å; H127-L129 PolarHBondContact O-N 2.81Å; L129-E132 PolarHBondContact O-N 2.98Å; L129-I133 WeakPolarHBondContact O-CB 3.48Å; L129-I133 WeakPolarHBondContact O-CD1 3.44Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 3.16Å; L129-K165 HydrophobicContact CD1-CB 4.46Å; L129-K166 HydrophobicContact CB-CB 4.38Å; L129-A169 HydrophobicContact CD1-CB 3.7Å |
| 130 | N | 91.4 | Very high | 90 | Very high | 54 Ų | 54 | 64.8 Ų | 64.8 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 173.9 | -80.2 | -48 | 0 | 0 | 0 | 112 | V126 H127 E128 G134 K166 | V126-N130 WeakPolarHBondContact O-CB 3.28Å; V126-N130 VanDerWaalsContact O-CG 3.23Å; V126-N130 PolarHBondContact O-N 2.84Å; V126-N130 PolarHBondContact O-ND2 2.86Å; H127-N130 WeakPolarHBondContact O-CB 3.37Å; H127-N130 PolarHBondContact O-N 3.15Å; H127-N130 VanDerWaalsContact O-N 3.12Å; E128-N130 VanDerWaalsContact C-N 3.28Å; E128-N130 PolarHBondContact O-N 2.86Å; N130-G134 PolarHBondContact O-N 3.27Å; N130-K166 WeakPolarHBondContact OD1-CD 3.36Å; N130-K166 WeakPolarHBondContact OD1-CE 3.12Å; N130-K166 PolarHBondContact OD1-NZ 3.06Å |
| 131 | E | 92.9 | Very high | 90.3 | Very high | 118 Ų | 118 | 69.6 Ų | 69.6 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.2 | -40.6 | 175.3 | -70.2 | -175.9 | -171.3 | 0 | 0 | 112.3 | H127 E128 G134 K135 | H127-E131 WeakPolarHBondContact O-CG 3.33Å; H127-E131 PolarHBondContact O-N 3.07Å; E128-E131 PolarHBondContact O-N 2.88Å; E128-E131 VanDerWaalsContact O-N 3.15Å; E131-G134 PolarHBondContact O-N 3.46Å; E131-K135 VanDerWaalsContact O-CG 3.32Å; E131-K135 WeakPolarHBondContact O-CG 3.39Å; E131-K135 PolarHBondContact O-N 2.83Å; E131-K135 IonicContact OE2-NZ 3.87Å |
| 132 | E | 91.9 | Very high | 90.6 | Very high | 99 Ų | 99 | 73.4 Ų | 73.4 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.2 | -73.5 | -179.2 | 178.5 | 0 | 0 | 111.8 | E128 L129 G134 K135 L136 | E128-E132 WeakPolarHBondContact O-CG 3.35Å; E128-E132 PolarHBondContact O-N 3.42Å; L129-E132 PolarHBondContact O-N 2.98Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.8Å; E132-K135 PolarHBondContact O-N 2.95Å; E132-L136 WeakPolarHBondContact O-CB 3.38Å; E132-L136 WeakPolarHBondContact O-CG 3.46Å; E132-L136 PolarHBondContact O-N 3.32Å |
| 133 | I | 92.7 | Very high | 90.9 | Very high | 14 Ų | 14 | 73.4 Ų | 73.4 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 174.4 | -69.7 | 163.4 | 0 | 0 | 0 | 110.2 | L129 K135 L136 L137 V159 A162 R163 K166 | L129-I133 WeakPolarHBondContact O-CB 3.48Å; L129-I133 WeakPolarHBondContact O-CD1 3.44Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 3.16Å; I133-K135 PolarHBondContact O-N 3.25Å; I133-L136 PolarHBondContact O-N 2.81Å; I133-L137 HydrophobicContact CG2-CD1 3.64Å; I133-L137 HydrophobicContact CG2-CG 4.16Å; I133-L137 VanDerWaalsContact O-CB 3.29Å; I133-L137 WeakPolarHBondContact O-CB 3.08Å; I133-L137 WeakPolarHBondContact O-CG 3.32Å; I133-L137 PolarHBondContact O-N 3.29Å; I133-V159 HydrophobicContact CG2-CG1 4.45Å; I133-A162 HydrophobicContact CD1-CB 4.48Å; I133-A162 HydrophobicContact CG1-CB 3.8Å; I133-R163 HydrophobicContact CD1-CG 4.02Å; I133-R163 HydrophobicContact CG1-CG 4.47Å; I133-K166 HydrophobicContact CD1-CB 3.81Å; I133-K166 HydrophobicContact CD1-CD 3.63Å; I133-K166 HydrophobicContact CD1-CG 4.28Å |
| 134 | G | 92.4 | Very high | 91.1 | Very high | 39 Ų | 39 | 74.7 Ų | 74.7 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N130 E131 E132 A138 | N130-G134 PolarHBondContact O-N 3.27Å; E131-G134 PolarHBondContact O-N 3.46Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.8Å; G134-A138 WeakPolarHBondContact O-CB 3.48Å; G134-A138 PolarHBondContact O-N 2.76Å |
| 135 | K | 94.1 | Very high | 91.1 | Very high | 127 Ų | 127 | 73.4 Ų | 73.4 | 55% | 0.552 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.7 | -42.3 | 177.1 | -70.7 | 165.6 | -171.2 | 161.6 | 0 | 112.2 | E131 E132 I133 K139 | E131-K135 VanDerWaalsContact O-CG 3.32Å; E131-K135 WeakPolarHBondContact O-CG 3.39Å; E131-K135 PolarHBondContact O-N 2.83Å; E131-K135 IonicContact OE2-NZ 3.87Å; E132-K135 PolarHBondContact O-N 2.95Å; I133-K135 PolarHBondContact O-N 3.25Å; K135-K139 WeakPolarHBondContact O-CG 3.18Å; K135-K139 PolarHBondContact O-N 3.4Å; K135-K139 VanDerWaalsContact O-N 3.14Å |
| 136 | L | 92.5 | Very high | 91.3 | Very high | 30 Ų | 30 | 74.2 Ų | 74.2 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.1 | -40.7 | 178.4 | -70.5 | 172.4 | 0 | 0 | 0 | 111.6 | E132 I133 A138 K139 V140 V155 V159 A162 | E132-L136 WeakPolarHBondContact O-CB 3.38Å; E132-L136 WeakPolarHBondContact O-CG 3.46Å; E132-L136 PolarHBondContact O-N 3.32Å; I133-L136 PolarHBondContact O-N 2.81Å; L136-A138 PolarHBondContact O-N 2.84Å; L136-K139 WeakPolarHBondContact O-CB 3.38Å; L136-K139 PolarHBondContact O-N 3.34Å; L136-K139 VanDerWaalsContact O-N 3.17Å; L136-V140 WeakPolarHBondContact O-CG2 3.39Å; L136-V140 PolarHBondContact O-N 3.29Å; L136-V155 HydrophobicContact CD2-CG1 4.16Å; L136-V159 HydrophobicContact CB-CG2 3.46Å; L136-V159 VanDerWaalsContact CB-CG2 3.46Å; L136-V159 HydrophobicContact CD1-CG2 4.34Å; L136-A162 HydrophobicContact CD1-CB 4.31Å |
| 137 | L | 91.1 | Very high | 91.2 | Very high | 50 Ų | 50 | 75.9 Ų | 75.9 | 26% | 0.262 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 174.7 | -75.1 | 171.7 | 0 | 0 | 0 | 111.8 | I133 K139 V140 E141 M156 V159 | I133-L137 HydrophobicContact CG2-CD1 3.64Å; I133-L137 HydrophobicContact CG2-CG 4.16Å; I133-L137 VanDerWaalsContact O-CB 3.29Å; I133-L137 WeakPolarHBondContact O-CB 3.08Å; I133-L137 WeakPolarHBondContact O-CG 3.32Å; I133-L137 PolarHBondContact O-N 3.29Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 2.72Å; L137-V140 WeakPolarHBondContact O-CB 3.35Å; L137-V140 PolarHBondContact O-N 2.78Å; L137-E141 WeakPolarHBondContact O-CG 3.45Å; L137-E141 PolarHBondContact O-N 3.43Å; L137-M156 HydrophobicContact CD2-SD 4.49Å; L137-V159 HydrophobicContact CD2-CG1 3.85Å; L137-V159 HydrophobicContact CD2-CG2 4.31Å; L137-V159 HydrophobicContact CG-CG1 4.16Å; L137-V159 HydrophobicContact CG-CG2 4.43Å |
| 138 | A | 92.7 | Very high | 91.2 | Very high | 42 Ų | 42 | 73.8 Ų | 73.8 | 35% | 0.347 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G134 L136 E141 Q142 | G134-A138 WeakPolarHBondContact O-CB 3.48Å; G134-A138 PolarHBondContact O-N 2.76Å; L136-A138 PolarHBondContact O-N 2.84Å; A138-E141 PolarHBondContact O-N 2.9Å; A138-Q142 WeakPolarHBondContact O-CG 3.31Å; A138-Q142 PolarHBondContact O-N 2.76Å; A138-Q142 VanDerWaalsContact O-N 3.09Å |
| 139 | K | 90.7 | Very high | 90.9 | Very high | 115 Ų | 115 | 72.7 Ų | 72.7 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 173.8 | -71.8 | 175.2 | -177.9 | -178.4 | 0 | 112.3 | K135 L136 L137 E141 Q142 L143 | K135-K139 WeakPolarHBondContact O-CG 3.18Å; K135-K139 PolarHBondContact O-N 3.4Å; K135-K139 VanDerWaalsContact O-N 3.14Å; L136-K139 WeakPolarHBondContact O-CB 3.38Å; L136-K139 PolarHBondContact O-N 3.34Å; L136-K139 VanDerWaalsContact O-N 3.17Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 2.72Å; K139-E141 VanDerWaalsContact C-N 3.33Å; K139-Q142 PolarHBondContact O-N 2.79Å; K139-L143 WeakPolarHBondContact O-CG 3.37Å; K139-L143 PolarHBondContact O-N 2.77Å |
| 140 | V | 92.2 | Very high | 90.9 | Very high | 20 Ų | 20 | 78.3 Ų | 78.3 | 12% | 0.121 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L136 L137 Q142 L143 G144 V155 M156 V159 | L136-V140 WeakPolarHBondContact O-CG2 3.39Å; L136-V140 PolarHBondContact O-N 3.29Å; L137-V140 WeakPolarHBondContact O-CB 3.35Å; L137-V140 PolarHBondContact O-N 2.78Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-Q142 PolarHBondContact O-N 3.35Å; V140-L143 PolarHBondContact O-N 2.85Å; V140-G144 PolarHBondContact O-N 2.9Å; V140-V155 HydrophobicContact CG2-CB 3.84Å; V140-V155 HydrophobicContact CG2-CG1 3.53Å; V140-M156 HydrophobicContact CB-CG 4.35Å; V140-M156 HydrophobicContact CB-SD 4.13Å; V140-M156 HydrophobicContact CG1-CG 3.59Å; V140-M156 HydrophobicContact CG1-SD 3.6Å; V140-M156 HydrophobicContact CG2-CG 3.78Å; V140-M156 HydrophobicContact CG2-SD 3.73Å; V140-V159 HydrophobicContact CG2-CG2 4.34Å |
| 141 | E | 89.4 | Confident | 90.7 | Very high | 148 Ų | 148 | 80.5 Ų | 80.5 | 69% | 0.692 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 178 | -72.4 | 176.4 | 176.1 | 0 | 0 | 111.9 | L137 A138 K139 A145 | L137-E141 WeakPolarHBondContact O-CG 3.45Å; L137-E141 PolarHBondContact O-N 3.43Å; A138-E141 PolarHBondContact O-N 2.9Å; K139-E141 VanDerWaalsContact C-N 3.33Å; E141-A145 PolarHBondContact O-N 3.48Å |
| 142 | Q | 91.7 | Very high | 90.5 | Very high | 127 Ų | 127 | 75.6 Ų | 75.6 | 59% | 0.593 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.8 | -50.9 | 175.5 | -73 | 175.2 | -3.5 | 0 | 0 | 112.4 | A138 K139 V140 G144 A145 E146 | A138-Q142 WeakPolarHBondContact O-CG 3.31Å; A138-Q142 PolarHBondContact O-N 2.76Å; A138-Q142 VanDerWaalsContact O-N 3.09Å; K139-Q142 PolarHBondContact O-N 2.79Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-Q142 PolarHBondContact O-N 3.35Å; Q142-G144 VanDerWaalsContact C-N 3.25Å; Q142-G144 PolarHBondContact O-N 3.26Å; Q142-A145 WeakPolarHBondContact O-CB 3.32Å; Q142-A145 PolarHBondContact O-N 2.85Å; Q142-A145 VanDerWaalsContact O-N 3.1Å; Q142-E146 PolarHBondContact O-N 3.36Å |
| 143 | L | 91.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 76.4 Ų | 76.4 | 17% | 0.173 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.8 | -32.7 | 177.9 | -69.1 | 171 | 0 | 0 | 0 | 112.1 | K139 V140 E146 G147 N148 E151 V155 | K139-L143 WeakPolarHBondContact O-CG 3.37Å; K139-L143 PolarHBondContact O-N 2.77Å; V140-L143 PolarHBondContact O-N 2.85Å; L143-E146 PolarHBondContact O-N 2.94Å; L143-G147 PolarHBondContact O-N 3.44Å; L143-N148 PolarHBondContact O-N 2.92Å; L143-N148 VanDerWaalsContact O-N 3.08Å; L143-E151 HydrophobicContact CD1-CB 4.35Å; L143-V155 HydrophobicContact CD1-CG2 3.95Å |
| 144 | G | 89.5 | Confident | 90.3 | Very high | 46 Ų | 46 | 82 Ų | 82 | 47% | 0.474 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V140 Q142 G147 | V140-G144 PolarHBondContact O-N 2.9Å; Q142-G144 VanDerWaalsContact C-N 3.25Å; Q142-G144 PolarHBondContact O-N 3.26Å; G144-G147 PolarHBondContact O-N 2.95Å |
| 145 | A | 88.7 | Confident | 90.3 | Very high | 91 Ų | 91 | 81.3 Ų | 81.3 | 75% | 0.752 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.5 | -33.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E141 Q142 G147 | E141-A145 PolarHBondContact O-N 3.48Å; Q142-A145 WeakPolarHBondContact O-CB 3.32Å; Q142-A145 PolarHBondContact O-N 2.85Å; Q142-A145 VanDerWaalsContact O-N 3.1Å; A145-G147 VanDerWaalsContact C-N 3.25Å; A145-G147 PolarHBondContact O-N 3.37Å |
| 146 | E | 90.8 | Very high | 90 | Very high | 138 Ų | 138 | 78.4 Ų | 78.4 | 65% | 0.645 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -73.7 | -15.5 | 174.6 | -69.1 | 175.9 | -179.7 | 0 | 0 | 113.1 | Q142 L143 | Q142-E146 PolarHBondContact O-N 3.36Å; L143-E146 PolarHBondContact O-N 2.94Å |
| 147 | G | 88 | Confident | 90 | Very high | 49 Ų | 49 | 81.1 Ų | 81.1 | 51% | 0.505 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 8.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L143 G144 A145 V149 | L143-G147 PolarHBondContact O-N 3.44Å; G144-G147 PolarHBondContact O-N 2.95Å; A145-G147 VanDerWaalsContact C-N 3.25Å; A145-G147 PolarHBondContact O-N 3.37Å; G147-V149 PolarHBondContact O-N 3.27Å |
| 148 | N | 88.9 | Confident | 90 | Very high | 69 Ų | 69 | 83.5 Ų | 83.5 | 37% | 0.369 | 45% | 0.452 | S | S | . | . | trans | -81.2 | 78.7 | 178.5 | -70 | -3.7 | 0 | 0 | 0 | 110.9 | L143 E150 E151 S152 | L143-N148 PolarHBondContact O-N 2.92Å; L143-N148 VanDerWaalsContact O-N 3.08Å; N148-E150 PolarHBondContact O-N 3.48Å; N148-E151 HydrophobicContact CB-CB 4.22Å; N148-E151 HydrophobicContact CB-CG 4.48Å; N148-E151 PolarHBondContact ND2-OE2 3.46Å; N148-S152 WeakPolarHBondContact O-CB 3.49Å; N148-S152 PolarHBondContact O-N 3.16Å; N148-S152 PolarHBondContact O-OG 3.29Å | ||
| 149 | V | 86.4 | Confident | 90 | Very high | 88 Ų | 88 | 81.6 Ų | 81.6 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | -176.4 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | G147 S152 Q153 | G147-V149 PolarHBondContact O-N 3.27Å; V149-S152 VanDerWaalsContact CA-OG 3.29Å; V149-S152 WeakPolarHBondContact CA-OG 3.36Å; V149-S152 PolarHBondContact O-OG 3.19Å; V149-Q153 HydrophobicContact CG1-CG 4.47Å; V149-Q153 WeakPolarHBondContact O-CB 3.43Å; V149-Q153 VanDerWaalsContact O-CG 3.27Å; V149-Q153 WeakPolarHBondContact O-CG 3.28Å; V149-Q153 PolarHBondContact O-N 2.93Å |
| 150 | E | 88.8 | Confident | 90.1 | Very high | 148 Ų | 148 | 81.9 Ų | 81.9 | 69% | 0.692 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.5 | -38.8 | -178.1 | -62.6 | -174.6 | 177.7 | 0 | 0 | 112.8 | N148 K154 | N148-E150 PolarHBondContact O-N 3.48Å; E150-K154 WeakPolarHBondContact O-CG 3.19Å; E150-K154 PolarHBondContact O-N 3.01Å |
| 151 | E | 88.6 | Confident | 90.1 | Very high | 99 Ų | 99 | 87.5 Ų | 87.5 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.6 | -41.8 | 177.2 | -62.9 | -175.9 | 153.1 | 0 | 0 | 110.9 | L143 N148 Q153 K154 V155 | L143-E151 HydrophobicContact CD1-CB 4.35Å; N148-E151 HydrophobicContact CB-CB 4.22Å; N148-E151 HydrophobicContact CB-CG 4.48Å; N148-E151 PolarHBondContact ND2-OE2 3.46Å; E151-Q153 VanDerWaalsContact C-N 3.3Å; E151-Q153 PolarHBondContact O-N 3.36Å; E151-K154 PolarHBondContact O-N 3.05Å; E151-V155 WeakPolarHBondContact O-CG2 3.24Å; E151-V155 PolarHBondContact O-N 3.11Å |
| 152 | S | 89.2 | Confident | 90.2 | Very high | 15 Ų | 15 | 80.9 Ų | 80.9 | 11% | 0.105 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62 | -36.1 | 174.6 | 58 | 0 | 0 | 0 | 0 | 112.4 | N148 V149 V155 M156 | N148-S152 WeakPolarHBondContact O-CB 3.49Å; N148-S152 PolarHBondContact O-N 3.16Å; N148-S152 PolarHBondContact O-OG 3.29Å; V149-S152 VanDerWaalsContact CA-OG 3.29Å; V149-S152 WeakPolarHBondContact CA-OG 3.36Å; V149-S152 PolarHBondContact O-OG 3.19Å; S152-V155 PolarHBondContact O-N 3Å; S152-M156 WeakPolarHBondContact O-CB 3.43Å; S152-M156 VanDerWaalsContact O-CG 3.25Å; S152-M156 WeakPolarHBondContact O-CG 3.26Å; S152-M156 PolarHBondContact O-N 2.98Å |
| 153 | Q | 89.2 | Confident | 90.1 | Very high | 116 Ų | 116 | 80.5 Ų | 80.5 | 54% | 0.542 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 172.8 | -78.2 | 176.4 | 5.7 | 0 | 0 | 112.5 | V149 E151 V155 M156 D157 | V149-Q153 HydrophobicContact CG1-CG 4.47Å; V149-Q153 WeakPolarHBondContact O-CB 3.43Å; V149-Q153 VanDerWaalsContact O-CG 3.27Å; V149-Q153 WeakPolarHBondContact O-CG 3.28Å; V149-Q153 PolarHBondContact O-N 2.93Å; E151-Q153 VanDerWaalsContact C-N 3.3Å; E151-Q153 PolarHBondContact O-N 3.36Å; Q153-V155 PolarHBondContact O-N 2.83Å; Q153-M156 WeakPolarHBondContact O-CB 3.47Å; Q153-M156 PolarHBondContact O-N 3.43Å; Q153-M156 VanDerWaalsContact O-N 3.15Å; Q153-D157 PolarHBondContact O-N 2.87Å |
| 154 | K | 90.8 | Very high | 90.2 | Very high | 133 Ų | 133 | 81.1 Ų | 81.1 | 58% | 0.578 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 177.1 | -69.1 | 170.4 | -173 | 168.4 | 0 | 112.2 | E150 E151 M156 D157 E158 | E150-K154 WeakPolarHBondContact O-CG 3.19Å; E150-K154 PolarHBondContact O-N 3.01Å; E151-K154 PolarHBondContact O-N 3.05Å; K154-M156 VanDerWaalsContact C-N 3.31Å; K154-D157 PolarHBondContact O-N 2.87Å; K154-E158 PolarHBondContact O-N 2.91Å; K154-E158 VanDerWaalsContact O-N 3.16Å |
| 155 | V | 90.9 | Very high | 90.3 | Very high | 23 Ų | 23 | 85 Ų | 85 | 14% | 0.139 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -68.9 | -32.4 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | L136 V140 L143 E151 S152 Q153 E158 V159 | L136-V155 HydrophobicContact CD2-CG1 4.16Å; V140-V155 HydrophobicContact CG2-CB 3.84Å; V140-V155 HydrophobicContact CG2-CG1 3.53Å; L143-V155 HydrophobicContact CD1-CG2 3.95Å; E151-V155 WeakPolarHBondContact O-CG2 3.24Å; E151-V155 PolarHBondContact O-N 3.11Å; S152-V155 PolarHBondContact O-N 3Å; Q153-V155 PolarHBondContact O-N 2.83Å; V155-E158 WeakPolarHBondContact O-CB 3.47Å; V155-E158 PolarHBondContact O-N 3.33Å; V155-V159 WeakPolarHBondContact O-CG2 3.21Å; V155-V159 PolarHBondContact O-N 3Å |
| 156 | M | 89 | Confident | 90.3 | Very high | 66 Ų | 66 | 83 Ų | 83 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 172.1 | -80.5 | -63.5 | -70.7 | 0 | 0 | 112.6 | L137 V140 S152 Q153 K154 E158 V159 E160 | L137-M156 HydrophobicContact CD2-SD 4.49Å; V140-M156 HydrophobicContact CB-CG 4.35Å; V140-M156 HydrophobicContact CB-SD 4.13Å; V140-M156 HydrophobicContact CG1-CG 3.59Å; V140-M156 HydrophobicContact CG1-SD 3.6Å; V140-M156 HydrophobicContact CG2-CG 3.78Å; V140-M156 HydrophobicContact CG2-SD 3.73Å; S152-M156 WeakPolarHBondContact O-CB 3.43Å; S152-M156 VanDerWaalsContact O-CG 3.25Å; S152-M156 WeakPolarHBondContact O-CG 3.26Å; S152-M156 PolarHBondContact O-N 2.98Å; Q153-M156 WeakPolarHBondContact O-CB 3.47Å; Q153-M156 PolarHBondContact O-N 3.43Å; Q153-M156 VanDerWaalsContact O-N 3.15Å; K154-M156 VanDerWaalsContact C-N 3.31Å; M156-E158 PolarHBondContact O-N 3.01Å; M156-V159 CarbonylContact O-C 3.57Å; M156-V159 WeakPolarHBondContact O-CA 3.4Å; M156-V159 WeakPolarHBondContact O-CB 3.49Å; M156-V159 PolarHBondContact O-N 3.21Å; M156-V159 VanDerWaalsContact O-N 3.08Å; M156-E160 WeakPolarHBondContact O-CG 3.44Å; M156-E160 PolarHBondContact O-N 3.08Å |
| 157 | D | 91.7 | Very high | 90.3 | Very high | 87 Ų | 87 | 85 Ų | 85 | 47% | 0.465 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 172.6 | -65.5 | -20.6 | 0 | 0 | 0 | 111.5 | Q153 K154 E160 K161 | Q153-D157 PolarHBondContact O-N 2.87Å; K154-D157 PolarHBondContact O-N 2.87Å; D157-E160 PolarHBondContact O-N 3.35Å; D157-K161 VanDerWaalsContact O-CG 3.3Å; D157-K161 WeakPolarHBondContact O-CG 3.37Å; D157-K161 PolarHBondContact O-N 3.35Å |
| 158 | E | 91.2 | Very high | 90.4 | Very high | 101 Ų | 101 | 88.4 Ų | 88.4 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 172.2 | -67.5 | 177.8 | 176.5 | 0 | 0 | 112.1 | K154 V155 M156 E160 K161 A162 | K154-E158 PolarHBondContact O-N 2.91Å; K154-E158 VanDerWaalsContact O-N 3.16Å; V155-E158 WeakPolarHBondContact O-CB 3.47Å; V155-E158 PolarHBondContact O-N 3.33Å; M156-E158 PolarHBondContact O-N 3.01Å; E158-E160 VanDerWaalsContact C-N 3.34Å; E158-K161 PolarHBondContact O-N 3.06Å; E158-A162 WeakPolarHBondContact O-CB 3.28Å; E158-A162 PolarHBondContact O-N 3.03Å |
| 159 | V | 93.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 86 Ų | 86 | 1% | 0.006 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 172.4 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | I133 L136 L137 V140 V155 M156 A162 R163 | I133-V159 HydrophobicContact CG2-CG1 4.45Å; L136-V159 HydrophobicContact CB-CG2 3.46Å; L136-V159 VanDerWaalsContact CB-CG2 3.46Å; L136-V159 HydrophobicContact CD1-CG2 4.34Å; L137-V159 HydrophobicContact CD2-CG1 3.85Å; L137-V159 HydrophobicContact CD2-CG2 4.31Å; L137-V159 HydrophobicContact CG-CG1 4.16Å; L137-V159 HydrophobicContact CG-CG2 4.43Å; V140-V159 HydrophobicContact CG2-CG2 4.34Å; V155-V159 WeakPolarHBondContact O-CG2 3.21Å; V155-V159 PolarHBondContact O-N 3Å; M156-V159 CarbonylContact O-C 3.57Å; M156-V159 WeakPolarHBondContact O-CA 3.4Å; M156-V159 WeakPolarHBondContact O-CB 3.49Å; M156-V159 PolarHBondContact O-N 3.21Å; M156-V159 VanDerWaalsContact O-N 3.08Å; V159-A162 CarbonylContact O-C 3.59Å; V159-A162 PolarHBondContact O-N 3.46Å; V159-R163 HydrophobicContact CG1-CG 4.27Å; V159-R163 WeakPolarHBondContact O-CB 3.47Å; V159-R163 VanDerWaalsContact O-CG 3.28Å; V159-R163 WeakPolarHBondContact O-CG 3.45Å; V159-R163 PolarHBondContact O-N 2.96Å |
| 160 | E | 92.3 | Very high | 90.2 | Very high | 121 Ų | 121 | 84.7 Ų | 84.7 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 177.8 | -71.7 | -168.7 | 168.7 | 0 | 0 | 111.9 | M156 D157 E158 A162 R163 A164 | M156-E160 WeakPolarHBondContact O-CG 3.44Å; M156-E160 PolarHBondContact O-N 3.08Å; D157-E160 PolarHBondContact O-N 3.35Å; E158-E160 VanDerWaalsContact C-N 3.34Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-A162 PolarHBondContact O-N 2.81Å; E160-R163 PolarHBondContact O-N 2.77Å; E160-A164 PolarHBondContact O-N 3.33Å |
| 161 | K | 92.5 | Very high | 90.1 | Very high | 138 Ų | 138 | 83.4 Ų | 83.4 | 60% | 0.6 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61 | -42 | 171.7 | -71 | 168.1 | -173.3 | 168.1 | 0 | 111.7 | D157 E158 A164 K165 | D157-K161 VanDerWaalsContact O-CG 3.3Å; D157-K161 WeakPolarHBondContact O-CG 3.37Å; D157-K161 PolarHBondContact O-N 3.35Å; E158-K161 PolarHBondContact O-N 3.06Å; K161-A164 PolarHBondContact O-N 3.02Å; K161-K165 WeakPolarHBondContact O-CG 3.02Å; K161-K165 PolarHBondContact O-N 3.09Å |
| 162 | A | 91.3 | Very high | 89.9 | Confident | 9 Ų | 9 | 82 Ų | 82 | 7% | 0.074 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I133 L136 E158 V159 E160 K165 K166 | I133-A162 HydrophobicContact CD1-CB 4.48Å; I133-A162 HydrophobicContact CG1-CB 3.8Å; L136-A162 HydrophobicContact CD1-CB 4.31Å; E158-A162 WeakPolarHBondContact O-CB 3.28Å; E158-A162 PolarHBondContact O-N 3.03Å; V159-A162 CarbonylContact O-C 3.59Å; V159-A162 PolarHBondContact O-N 3.46Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-A162 PolarHBondContact O-N 2.81Å; A162-K165 PolarHBondContact O-N 2.95Å; A162-K166 WeakPolarHBondContact O-CB 3.1Å; A162-K166 PolarHBondContact O-N 2.75Å |
| 163 | R | 90.9 | Very high | 89.5 | Confident | 120 Ų | 120 | 84.5 Ų | 84.5 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 173.8 | -76.9 | 176.7 | 176.6 | -158.8 | 0.8 | 112.4 | I133 V159 E160 K166 R167 | I133-R163 HydrophobicContact CD1-CG 4.02Å; I133-R163 HydrophobicContact CG1-CG 4.47Å; V159-R163 HydrophobicContact CG1-CG 4.27Å; V159-R163 WeakPolarHBondContact O-CB 3.47Å; V159-R163 VanDerWaalsContact O-CG 3.28Å; V159-R163 WeakPolarHBondContact O-CG 3.45Å; V159-R163 PolarHBondContact O-N 2.96Å; E160-R163 PolarHBondContact O-N 2.77Å; R163-K166 PolarHBondContact O-N 3.32Å; R163-R167 WeakPolarHBondContact O-CG 3.31Å; R163-R167 PolarHBondContact O-N 3.34Å |
| 164 | A | 92.3 | Very high | 89 | Confident | 45 Ų | 45 | 87.9 Ų | 87.9 | 37% | 0.372 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63 | -49.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E160 K161 K166 R167 E168 | E160-A164 PolarHBondContact O-N 3.33Å; K161-A164 PolarHBondContact O-N 3.02Å; A164-K166 VanDerWaalsContact C-N 3.28Å; A164-K166 PolarHBondContact O-N 2.89Å; A164-R167 PolarHBondContact O-N 3.16Å; A164-R167 VanDerWaalsContact O-N 3.09Å; A164-E168 WeakPolarHBondContact O-CG 3.38Å; A164-E168 PolarHBondContact O-N 2.94Å |
| 165 | K | 90.7 | Very high | 88.5 | Confident | 127 Ų | 127 | 87.5 Ų | 87.5 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58 | -38.8 | 173.5 | -70.2 | 176.8 | -179 | -179.8 | 0 | 112.7 | L129 K161 A162 E168 A169 | L129-K165 HydrophobicContact CD1-CB 4.46Å; K161-K165 WeakPolarHBondContact O-CG 3.02Å; K161-K165 PolarHBondContact O-N 3.09Å; A162-K165 PolarHBondContact O-N 2.95Å; K165-E168 PolarHBondContact O-N 3.14Å; K165-A169 WeakPolarHBondContact O-CB 3.41Å; K165-A169 PolarHBondContact O-N 3.24Å |
| 166 | K | 89.7 | Confident | 87.6 | Confident | 50 Ų | 50 | 87.7 Ų | 87.7 | 22% | 0.217 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 173.9 | 174.7 | -173.5 | 165.1 | 174.1 | 0 | 111.3 | L129 N130 I133 A162 R163 A164 E168 A169 E170 | L129-K166 HydrophobicContact CB-CB 4.38Å; N130-K166 WeakPolarHBondContact OD1-CD 3.36Å; N130-K166 WeakPolarHBondContact OD1-CE 3.12Å; N130-K166 PolarHBondContact OD1-NZ 3.06Å; I133-K166 HydrophobicContact CD1-CB 3.81Å; I133-K166 HydrophobicContact CD1-CD 3.63Å; I133-K166 HydrophobicContact CD1-CG 4.28Å; A162-K166 WeakPolarHBondContact O-CB 3.1Å; A162-K166 PolarHBondContact O-N 2.75Å; R163-K166 PolarHBondContact O-N 3.32Å; A164-K166 VanDerWaalsContact C-N 3.28Å; A164-K166 PolarHBondContact O-N 2.89Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.13Å; K166-A169 PolarHBondContact O-N 2.91Å; K166-E170 VanDerWaalsContact CE-CD 3.41Å; K166-E170 WeakPolarHBondContact CE-OE1 3.42Å; K166-E170 HydrophobicContact CG-CG 4.27Å; K166-E170 IonicContact NZ-OE1 3.49Å; K166-E170 PolarHBondContact NZ-OE1 3.21Å; K166-E170 WeakPolarHBondContact O-CB 3.39Å; K166-E170 WeakPolarHBondContact O-CG 3.32Å; K166-E170 PolarHBondContact O-N 3.42Å |
| 167 | R | 89.9 | Confident | 86.9 | Confident | 179 Ų | 179 | 88.3 Ų | 88.3 | 68% | 0.675 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.4 | -43.5 | 177.6 | -75.1 | -178.5 | -174.3 | 178.5 | 3.5 | 111.2 | R163 A164 E170 E171 | R163-R167 WeakPolarHBondContact O-CG 3.31Å; R163-R167 PolarHBondContact O-N 3.34Å; A164-R167 PolarHBondContact O-N 3.16Å; A164-R167 VanDerWaalsContact O-N 3.09Å; R167-E170 PolarHBondContact O-N 2.64Å; R167-E171 WeakPolarHBondContact O-CB 3.44Å; R167-E171 WeakPolarHBondContact O-CG 3.32Å; R167-E171 PolarHBondContact O-N 3.28Å |
| 168 | E | 90.3 | Very high | 85.6 | Confident | 122 Ų | 122 | 86.4 Ų | 86.4 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.9 | -44.8 | 174.4 | -68.7 | 171.2 | -173.8 | 0 | 0 | 111.5 | A164 K165 K166 E171 V172 | A164-E168 WeakPolarHBondContact O-CG 3.38Å; A164-E168 PolarHBondContact O-N 2.94Å; K165-E168 PolarHBondContact O-N 3.14Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.13Å; E168-E171 PolarHBondContact O-N 3.47Å; E168-V172 WeakPolarHBondContact O-CB 3.5Å; E168-V172 VanDerWaalsContact O-CG2 3.25Å; E168-V172 WeakPolarHBondContact O-CG2 3.37Å; E168-V172 PolarHBondContact O-N 3.34Å |
| 169 | A | 87 | Confident | 84.4 | Confident | 17 Ų | 17 | 85.3 Ų | 85.3 | 14% | 0.14 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V126 L129 K165 K166 V172 Y173 | V126-A169 HydrophobicContact CG2-CB 4.14Å; L129-A169 HydrophobicContact CD1-CB 3.7Å; K165-A169 WeakPolarHBondContact O-CB 3.41Å; K165-A169 PolarHBondContact O-N 3.24Å; K166-A169 PolarHBondContact O-N 2.91Å; A169-V172 PolarHBondContact O-N 3.05Å; A169-Y173 VanDerWaalsContact O-CB 3.3Å; A169-Y173 WeakPolarHBondContact O-CB 3.49Å; A169-Y173 PolarHBondContact O-N 2.94Å |
| 170 | E | 85.3 | Confident | 83.1 | Confident | 61 Ų | 61 | 88.3 Ų | 88.3 | 29% | 0.285 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 174.9 | -77.1 | -177.3 | 164.6 | 0 | 0 | 112 | V126 K166 R167 Y173 R174 | V126-E170 HydrophobicContact CG1-CG 3.86Å; V126-E170 HydrophobicContact CG2-CG 4.12Å; K166-E170 VanDerWaalsContact CE-CD 3.41Å; K166-E170 WeakPolarHBondContact CE-OE1 3.42Å; K166-E170 HydrophobicContact CG-CG 4.27Å; K166-E170 IonicContact NZ-OE1 3.49Å; K166-E170 PolarHBondContact NZ-OE1 3.21Å; K166-E170 WeakPolarHBondContact O-CB 3.39Å; K166-E170 WeakPolarHBondContact O-CG 3.32Å; K166-E170 PolarHBondContact O-N 3.42Å; R167-E170 PolarHBondContact O-N 2.64Å; E170-Y173 PolarHBondContact O-N 3.06Å; E170-R174 WeakPolarHBondContact O-CB 3.37Å; E170-R174 WeakPolarHBondContact O-CG 3.3Å; E170-R174 PolarHBondContact O-N 2.82Å |
| 171 | E | 86.3 | Confident | 81.9 | Confident | 122 Ų | 122 | 84 Ų | 84 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.3 | -44.1 | 172.9 | -79.6 | -179.1 | -174.9 | 0 | 0 | 111.2 | R167 E168 Y173 R174 N175 | R167-E171 WeakPolarHBondContact O-CB 3.44Å; R167-E171 WeakPolarHBondContact O-CG 3.32Å; R167-E171 PolarHBondContact O-N 3.28Å; E168-E171 PolarHBondContact O-N 3.47Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 2.8Å; E171-R174 PolarHBondContact O-N 2.99Å; E171-N175 VanDerWaalsContact O-CB 3.24Å; E171-N175 WeakPolarHBondContact O-CB 3.25Å; E171-N175 PolarHBondContact O-N 3.1Å; E171-N175 PolarHBondContact O-ND2 2.81Å |
| 172 | V | 83.4 | Confident | 80.8 | Confident | 69 Ų | 69 | 82.4 Ų | 82.4 | 42% | 0.418 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 172.6 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | E168 A169 N175 S176 | E168-V172 WeakPolarHBondContact O-CB 3.5Å; E168-V172 VanDerWaalsContact O-CG2 3.25Å; E168-V172 WeakPolarHBondContact O-CG2 3.37Å; E168-V172 PolarHBondContact O-N 3.34Å; A169-V172 PolarHBondContact O-N 3.05Å; V172-N175 PolarHBondContact O-N 2.97Å; V172-S176 WeakPolarHBondContact O-CB 3.42Å; V172-S176 PolarHBondContact O-N 2.69Å; V172-S176 PolarHBondContact O-OG 3.01Å |
| 173 | Y | 80.7 | Confident | 79.5 | Confident | 68 Ų | 68 | 88 Ų | 88 | 27% | 0.267 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59 | -50.4 | 174.8 | 176 | -105.6 | 0 | 0 | 0 | 111.3 | V119 K122 A123 A169 E170 E171 S176 M177 | V119-Y173 HydrophobicContact CG1-CE2 4Å; K122-Y173 HydrophobicContact CB-CD2 3.82Å; A123-Y173 HydrophobicContact CB-CE2 3.9Å; A169-Y173 VanDerWaalsContact O-CB 3.3Å; A169-Y173 WeakPolarHBondContact O-CB 3.49Å; A169-Y173 PolarHBondContact O-N 2.94Å; E170-Y173 PolarHBondContact O-N 3.06Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 2.8Å; Y173-S176 WeakPolarHBondContact CA-OG 3.3Å; Y173-S176 PolarHBondContact O-N 3.48Å; Y173-S176 PolarHBondContact O-OG 2.84Å; Y173-M177 HydrophobicContact CE1-CE 3.95Å; Y173-M177 HydrophobicContact CE2-CE 3.78Å; Y173-M177 WeakPolarHBondContact O-CB 3.4Å; Y173-M177 PolarHBondContact O-N 2.73Å; Y173-M177 WeakPolarHBondContact OH-CE 3.25Å |
| 174 | R | 79.8 | Confident | 78.2 | Confident | 187 Ų | 187 | 87 Ų | 87 | 71% | 0.706 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.5 | -44.9 | 177.2 | -76.4 | -176.1 | -174.7 | -166.9 | 4 | 112.8 | E170 E171 S176 M177 | E170-R174 WeakPolarHBondContact O-CB 3.37Å; E170-R174 WeakPolarHBondContact O-CG 3.3Å; E170-R174 PolarHBondContact O-N 2.82Å; E171-R174 PolarHBondContact O-N 2.99Å; R174-S176 VanDerWaalsContact C-N 3.34Å; R174-M177 CarbonylContact O-C 3.55Å; R174-M177 PolarHBondContact O-N 3.33Å |
| 175 | N | 80.6 | Confident | 77 | Confident | 124 Ų | 124 | 86.9 Ų | 86.9 | 66% | 0.663 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.8 | -36.8 | 179.9 | -70.3 | -16 | 0 | 0 | 0 | 111.6 | E171 V172 M177 | E171-N175 VanDerWaalsContact O-CB 3.24Å; E171-N175 WeakPolarHBondContact O-CB 3.25Å; E171-N175 PolarHBondContact O-N 3.1Å; E171-N175 PolarHBondContact O-ND2 2.81Å; V172-N175 PolarHBondContact O-N 2.97Å; N175-M177 PolarHBondContact O-N 3.39Å |
| 176 | S | 71.9 | Confident | 76.3 | Confident | 28 Ų | 28 | 83 Ų | 83 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -78.1 | -8.2 | 175.8 | 75.4 | 0 | 0 | 0 | 0 | 114.6 | K122 V172 Y173 R174 P178 | K122-S176 WeakPolarHBondContact CD-OG 3.42Å; K122-S176 VanDerWaalsContact NZ-CB 3.27Å; V172-S176 WeakPolarHBondContact O-CB 3.42Å; V172-S176 PolarHBondContact O-N 2.69Å; V172-S176 PolarHBondContact O-OG 3.01Å; Y173-S176 WeakPolarHBondContact CA-OG 3.3Å; Y173-S176 PolarHBondContact O-N 3.48Å; Y173-S176 PolarHBondContact O-OG 2.84Å; R174-S176 VanDerWaalsContact C-N 3.34Å; S176-P178 WeakPolarHBondContact O-CD 3.37Å |
| 177 | M | 73.2 | Confident | 76.1 | Confident | 78 Ų | 78 | 83.4 Ų | 83.4 | 38% | 0.384 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -101.2 | 58.6 | 168.7 | -168 | 178.4 | -78.5 | 0 | 0 | 109.1 | V119 Y173 R174 N175 | V119-M177 HydrophobicContact CG1-CE 3.59Å; V119-M177 HydrophobicContact CG2-CE 4.46Å; Y173-M177 HydrophobicContact CE1-CE 3.95Å; Y173-M177 HydrophobicContact CE2-CE 3.78Å; Y173-M177 WeakPolarHBondContact O-CB 3.4Å; Y173-M177 PolarHBondContact O-N 2.73Å; Y173-M177 WeakPolarHBondContact OH-CE 3.25Å; R174-M177 CarbonylContact O-C 3.55Å; R174-M177 PolarHBondContact O-N 3.33Å; N175-M177 PolarHBondContact O-N 3.39Å |
| 178 | P | 65.8 | Low | 75.9 | Confident | 47 Ų | 47 | 81.5 Ų | 81.5 | 31% | 0.305 | 41% | 0.407 | S | S | . | . | trans | -65.3 | 146.5 | 175.5 | 32.7 | -35 | 0 | 0 | 0 | 108.4 | S176 S180 S181 F182 | S176-P178 WeakPolarHBondContact O-CD 3.37Å; P178-S180 WeakPolarHBondContact CB-OG 3.36Å; P178-S180 PolarHBondContact O-N 2.92Å; P178-S181 VanDerWaalsContact CG-OG 3.3Å; P178-S181 WeakPolarHBondContact CG-OG 2.93Å; P178-S181 PolarHBondContact O-N 3.47Å; P178-F182 PolarHBondContact O-N 2.76Å | ||
| 179 | A | 65.7 | Low | 75.7 | Confident | 78 Ų | 78 | 76 Ų | 76 | 65% | 0.645 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -53.2 | -25.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q183 | A179-Q183 WeakPolarHBondContact O-CG 3.41Å; A179-Q183 PolarHBondContact O-N 3.5Å; A179-Q183 VanDerWaalsContact O-N 3.09Å |
| 180 | S | 65.7 | Low | 75.8 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 176 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | P178 F182 Q183 Q184 | P178-S180 WeakPolarHBondContact CB-OG 3.36Å; P178-S180 PolarHBondContact O-N 2.92Å; S180-F182 VanDerWaalsContact C-N 3.3Å; S180-Q183 WeakPolarHBondContact O-CB 3.35Å; S180-Q183 PolarHBondContact O-N 3.2Å; S180-Q184 PolarHBondContact O-N 3.34Å |
| 181 | S | 67.8 | Low | 75.8 | Confident | 30 Ų | 30 | 77.5 Ų | 77.5 | 21% | 0.21 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 177 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | P178 Q183 Q184 Q185 | P178-S181 VanDerWaalsContact CG-OG 3.3Å; P178-S181 WeakPolarHBondContact CG-OG 2.93Å; P178-S181 PolarHBondContact O-N 3.47Å; S181-Q183 VanDerWaalsContact C-N 3.28Å; S181-Q183 PolarHBondContact O-N 3.02Å; S181-Q184 PolarHBondContact O-N 3.44Å; S181-Q185 PolarHBondContact O-N 2.83Å |
| 182 | F | 68 | Low | 75.8 | Confident | 105 Ų | 105 | 72.9 Ų | 72.9 | 46% | 0.461 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.6 | -32.7 | 172.1 | -170.6 | -129 | 0 | 0 | 0 | 112.3 | P178 S180 K186 | P178-F182 PolarHBondContact O-N 2.76Å; S180-F182 VanDerWaalsContact C-N 3.3Å; F182-K186 HydrophobicContact CD1-CD 3.94Å; F182-K186 VanDerWaalsContact CD1-CE 3.43Å; F182-K186 HydrophobicContact CE1-CD 4.03Å; F182-K186 HydrophobicContact CG-CD 4.31Å; F182-K186 HydrophobicContact CZ-CD 4.36Å; F182-K186 WeakPolarHBondContact O-CD 3.38Å; F182-K186 VanDerWaalsContact O-CG 3.23Å; F182-K186 WeakPolarHBondContact O-CG 3.34Å; F182-K186 PolarHBondContact O-N 3.07Å |
| 183 | Q | 64 | Low | 75.7 | Confident | 125 Ų | 125 | 70 Ų | 70 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 171.9 | -74.6 | 172.2 | -20.1 | 0 | 0 | 111.2 | A179 S180 S181 Q185 K186 L187 | A179-Q183 WeakPolarHBondContact O-CG 3.41Å; A179-Q183 PolarHBondContact O-N 3.5Å; A179-Q183 VanDerWaalsContact O-N 3.09Å; S180-Q183 WeakPolarHBondContact O-CB 3.35Å; S180-Q183 PolarHBondContact O-N 3.2Å; S181-Q183 VanDerWaalsContact C-N 3.28Å; S181-Q183 PolarHBondContact O-N 3.02Å; Q183-Q185 PolarHBondContact O-N 3.5Å; Q183-K186 CarbonylContact O-C 3.59Å; Q183-K186 WeakPolarHBondContact O-CA 3.49Å; Q183-K186 WeakPolarHBondContact O-CB 3.44Å; Q183-K186 PolarHBondContact O-N 3.37Å; Q183-L187 WeakPolarHBondContact O-CD1 3.28Å; Q183-L187 PolarHBondContact O-N 2.94Å |
| 184 | Q | 64.5 | Low | 75.7 | Confident | 100 Ų | 100 | 68.3 Ų | 68.3 | 47% | 0.467 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 178.9 | -70.4 | -179.7 | -26.4 | 0 | 0 | 112.9 | I115 S180 S181 K186 L187 | I115-Q184 HydrophobicContact CD1-CB 3.97Å; S180-Q184 PolarHBondContact O-N 3.34Å; S181-Q184 PolarHBondContact O-N 3.44Å; Q184-K186 PolarHBondContact O-N 3.32Å; Q184-L187 WeakPolarHBondContact O-CB 3.3Å; Q184-L187 PolarHBondContact O-N 2.97Å |
| 185 | Q | 67.1 | Low | 75.9 | Confident | 43 Ų | 43 | 61 Ų | 61 | 20% | 0.201 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -23.5 | 173.1 | -64.9 | -176.3 | -27.9 | 0 | 0 | 113.1 | Q112 I115 S181 Q183 L187 | Q112-Q185 HydrophobicContact CG-CB 4.44Å; Q112-Q185 HydrophobicContact CG-CG 4.24Å; I115-Q185 HydrophobicContact CB-CG 4.33Å; I115-Q185 HydrophobicContact CD1-CG 4.43Å; I115-Q185 HydrophobicContact CG2-CG 4.05Å; I115-Q185 VanDerWaalsContact CG2-NE2 3.27Å; S181-Q185 PolarHBondContact O-N 2.83Å; Q183-Q185 PolarHBondContact O-N 3.5Å; Q185-L187 VanDerWaalsContact C-N 3.34Å |
| 186 | K | 76.8 | Confident | 76.1 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 2.6 | 177.6 | -70.3 | 167.6 | 165.6 | -153.2 | 0 | 113.1 | F182 Q183 Q184 G198 L199 H200 | F182-K186 HydrophobicContact CD1-CD 3.94Å; F182-K186 VanDerWaalsContact CD1-CE 3.43Å; F182-K186 HydrophobicContact CE1-CD 4.03Å; F182-K186 HydrophobicContact CG-CD 4.31Å; F182-K186 HydrophobicContact CZ-CD 4.36Å; F182-K186 WeakPolarHBondContact O-CD 3.38Å; F182-K186 VanDerWaalsContact O-CG 3.23Å; F182-K186 WeakPolarHBondContact O-CG 3.34Å; F182-K186 PolarHBondContact O-N 3.07Å; Q183-K186 CarbonylContact O-C 3.59Å; Q183-K186 WeakPolarHBondContact O-CA 3.49Å; Q183-K186 WeakPolarHBondContact O-CB 3.44Å; Q183-K186 PolarHBondContact O-N 3.37Å; Q184-K186 PolarHBondContact O-N 3.32Å; K186-G198 CarbonylContact O-C 3.56Å; K186-G198 WeakPolarHBondContact O-CA 3.29Å; K186-L199 WeakPolarHBondContact O-CG 3.31Å; K186-L199 PolarHBondContact O-N 2.84Å; K186-H200 WeakPolarHBondContact CD-CD2 3.15Å; K186-H200 WeakPolarHBondContact CE-CD2 3.26Å; K186-H200 WeakPolarHBondContact CE-NE2 3.38Å; K186-H200 PolarHBondContact NZ-CD2 2.82Å; K186-H200 PolarHBondContact NZ-NE2 3.44Å; K186-H200 VanDerWaalsContact NZ-NE2 3.14Å |
| 187 | L | 85.1 | Confident | 76.7 | Confident | 58 Ų | 58 | 60.5 Ų | 60.5 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.9 | 173.7 | -89.3 | 68.4 | 0 | 0 | 0 | 110.1 | L108 Q183 Q184 Q185 Y196 L197 | L108-L187 HydrophobicContact CD1-CB 4.15Å; L108-L187 HydrophobicContact CD2-CB 4.46Å; Q183-L187 WeakPolarHBondContact O-CD1 3.28Å; Q183-L187 PolarHBondContact O-N 2.94Å; Q184-L187 WeakPolarHBondContact O-CB 3.3Å; Q184-L187 PolarHBondContact O-N 2.97Å; Q185-L187 VanDerWaalsContact C-N 3.34Å; L187-Y196 HydrophobicContact CD2-CD1 4.09Å; L187-Y196 HydrophobicContact CD2-CG 4.17Å; L187-L197 CarbonylContact C-O 3.58Å; L187-L197 WeakPolarHBondContact CA-O 3.23Å |
| 188 | R | 84.8 | Confident | 77.2 | Confident | 140 Ų | 140 | 58 Ų | 58 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139 | 169.1 | -180 | 177.3 | 177 | -178.1 | -0 | 108.6 | E191 L197 L199 | R188-E191 IonicContact NH2-OE1 3.08Å; R188-E191 PolarHBondContact NH2-OE1 3.05Å; R188-L197 PolarHBondContact N-O 3.14Å; R188-L197 PolarHBondContact O-N 3.31Å; R188-L199 HydrophobicContact CB-CD2 4.24Å |
| 189 | V | 86.5 | Confident | 77.8 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131.7 | 170.2 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | A104 K105 L108 E191 A195 Y196 | A104-V189 HydrophobicContact CB-CG1 4.16Å; A104-V189 HydrophobicContact CB-CG2 4.09Å; K105-V189 HydrophobicContact CG-CB 3.91Å; K105-V189 HydrophobicContact CG-CG1 4.42Å; K105-V189 HydrophobicContact CG-CG2 4.16Å; L108-V189 HydrophobicContact CD1-CB 4.48Å; L108-V189 HydrophobicContact CD1-CG2 3.31Å; L108-V189 HydrophobicContact CG-CG2 3.89Å; V189-E191 PolarHBondContact O-N 3.33Å; V189-A195 CarbonylContact C-O 3.49Å; V189-A195 WeakPolarHBondContact CA-O 3.38Å; V189-Y196 HydrophobicContact CG2-CD1 4.21Å; V189-Y196 HydrophobicContact CG2-CE1 4.09Å |
| 190 | C | 88 | Confident | 78.1 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | trans | -65 | 130.7 | 168.2 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | V192 C193 S194 A195 L197 H209 | C190-V192 PolarHBondContact O-N 2.75Å; C190-C193 HydrophobicContact CB-CB 4.46Å; C190-S194 WeakPolarHBondContact O-CA 3.24Å; C190-S194 PolarHBondContact O-N 3.11Å; C190-S194 VanDerWaalsContact O-N 3.14Å; C190-A195 PolarHBondContact N-O 3.15Å; C190-L197 HydrophobicContact CB-CD1 3.64Å; C190-L197 HydrophobicContact CB-CD2 4.37Å; C190-H209 WeakPolarHBondContact CB-NE2 3.29Å; C190-H209 PolarHBondContact SG-NE2 3.38Å | ||
| 191 | E | 85.7 | Confident | 78.9 | Confident | 99 Ų | 99 | 62.3 Ų | 62.3 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.9 | -174.5 | -56.5 | -179.6 | -169.5 | 0 | 0 | 113.2 | R188 V189 R222 | R188-E191 IonicContact NH2-OE1 3.08Å; R188-E191 PolarHBondContact NH2-OE1 3.05Å; V189-E191 PolarHBondContact O-N 3.33Å; E191-R222 PolarHBondContact O-NH2 2.82Å |
| 192 | V | 86 | Confident | 79.7 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -45.7 | -175.8 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | C190 H215 F218 I219 | C190-V192 PolarHBondContact O-N 2.75Å; V192-H215 VanDerWaalsContact CB-CE1 3.44Å; V192-H215 WeakPolarHBondContact CB-CE1 3.01Å; V192-F218 HydrophobicContact CG1-CB 3.33Å; V192-F218 HydrophobicContact CG1-CG 4.25Å; V192-I219 HydrophobicContact CG1-CG1 4.35Å |
| 193 | C | 82.1 | Confident | 80.6 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -3.2 | -171.9 | -60.7 | 0 | 0 | 0 | 0 | 115.2 | C190 A195 H215 F218 | C190-C193 HydrophobicContact CB-CB 4.46Å; C193-A195 HydrophobicContact CB-CB 4.31Å; C193-A195 PolarHBondContact O-N 3.48Å; C193-H215 WeakPolarHBondContact SG-CA 3.41Å; C193-H215 WeakPolarHBondContact SG-CB 3.48Å; C193-H215 PolarHBondContact SG-ND1 3.24Å; C193-F218 HydrophobicContact CB-CD2 4.38Å |
| 194 | S | 81 | Confident | 81.8 | Confident | 33 Ų | 33 | 72.9 Ų | 72.9 | 23% | 0.231 | 35% | 0.354 | C | S | . | . | trans | 56.9 | 6.6 | -170.7 | 68.8 | 0 | 0 | 0 | 0 | 115.9 | C190 | C190-S194 WeakPolarHBondContact O-CA 3.24Å; C190-S194 PolarHBondContact O-N 3.11Å; C190-S194 VanDerWaalsContact O-N 3.14Å | ||
| 195 | A | 84 | Confident | 82.8 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | trans | -75.1 | 148.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V189 C190 C193 L197 H209 | V189-A195 CarbonylContact C-O 3.49Å; V189-A195 WeakPolarHBondContact CA-O 3.38Å; C190-A195 PolarHBondContact N-O 3.15Å; C193-A195 HydrophobicContact CB-CB 4.31Å; C193-A195 PolarHBondContact O-N 3.48Å; A195-L197 HydrophobicContact CB-CD1 4.11Å; A195-L197 WeakPolarHBondContact O-CD1 3.34Å; A195-H209 VanDerWaalsContact CB-CE1 3.47Å; A195-H209 WeakPolarHBondContact CB-CE1 3.4Å | ||
| 196 | Y | 84.1 | Confident | 83.6 | Confident | 118 Ų | 118 | 76.2 Ų | 76.2 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 121.3 | 171.8 | -62 | -75 | 0 | 0 | 0 | 110.7 | L108 L187 V189 | L108-Y196 HydrophobicContact CD1-CD1 3.77Å; L108-Y196 HydrophobicContact CD1-CE1 3.82Å; L108-Y196 HydrophobicContact CD2-CD1 3.92Å; L108-Y196 HydrophobicContact CD2-CE1 3.51Å; L108-Y196 HydrophobicContact CG-CD1 4.09Å; L108-Y196 HydrophobicContact CG-CE1 3.64Å; L187-Y196 HydrophobicContact CD2-CD1 4.09Å; L187-Y196 HydrophobicContact CD2-CG 4.17Å; V189-Y196 HydrophobicContact CG2-CD1 4.21Å; V189-Y196 HydrophobicContact CG2-CE1 4.09Å |
| 197 | L | 85.1 | Confident | 84.2 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 12% | 0.12 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.5 | 175.1 | -80.6 | 63.1 | 0 | 0 | 0 | 108.8 | L187 R188 C190 A195 L206 F210 | L187-L197 CarbonylContact C-O 3.58Å; L187-L197 WeakPolarHBondContact CA-O 3.23Å; R188-L197 PolarHBondContact N-O 3.14Å; R188-L197 PolarHBondContact O-N 3.31Å; C190-L197 HydrophobicContact CB-CD1 3.64Å; C190-L197 HydrophobicContact CB-CD2 4.37Å; A195-L197 HydrophobicContact CB-CD1 4.11Å; A195-L197 WeakPolarHBondContact O-CD1 3.34Å; L197-L206 HydrophobicContact CD2-CD1 3.47Å; L197-L206 VanDerWaalsContact CD2-CD1 3.47Å; L197-L206 HydrophobicContact CG-CD1 4.38Å; L197-F210 HydrophobicContact CD2-CZ 4.42Å |
| 198 | G | 84 | Confident | 84.4 | Confident | 25 Ų | 25 | 79.9 Ų | 79.9 | 26% | 0.258 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 136 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K186 H200 D201 | K186-G198 CarbonylContact O-C 3.56Å; K186-G198 WeakPolarHBondContact O-CA 3.29Å; G198-H200 PolarHBondContact O-N 3.01Å; G198-D201 WeakPolarHBondContact O-CB 3.39Å; G198-D201 PolarHBondContact O-N 3.18Å |
| 199 | L | 78 | Confident | 84.5 | Confident | 110 Ų | 110 | 75.1 Ų | 75.1 | 58% | 0.576 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.5 | 172.7 | -72.1 | 173.4 | 0 | 0 | 0 | 112.5 | K186 R188 | K186-L199 WeakPolarHBondContact O-CG 3.31Å; K186-L199 PolarHBondContact O-N 2.84Å; R188-L199 HydrophobicContact CB-CD2 4.24Å |
| 200 | H | 72.4 | Confident | 84.6 | Confident | 135 Ų | 135 | 79.1 Ų | 79.1 | 63% | 0.625 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 22.3 | 178.4 | -60.1 | -81.9 | 0 | 0 | 0 | 112.5 | K186 G198 | K186-H200 WeakPolarHBondContact CD-CD2 3.15Å; K186-H200 WeakPolarHBondContact CE-CD2 3.26Å; K186-H200 WeakPolarHBondContact CE-NE2 3.38Å; K186-H200 PolarHBondContact NZ-CD2 2.82Å; K186-H200 PolarHBondContact NZ-NE2 3.44Å; K186-H200 VanDerWaalsContact NZ-NE2 3.14Å; G198-H200 PolarHBondContact O-N 3.01Å |
| 201 | D | 81.9 | Confident | 84.6 | Confident | 37 Ų | 37 | 81 Ų | 81 | 20% | 0.198 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -69.7 | 155.2 | 172.9 | -148.4 | -16.6 | 0 | 0 | 0 | 110.5 | G198 R205 | G198-D201 WeakPolarHBondContact O-CB 3.39Å; G198-D201 PolarHBondContact O-N 3.18Å; D201-R205 WeakPolarHBondContact OD1-CD 3.1Å; D201-R205 IonicContact OD1-NH1 3.03Å; D201-R205 WeakPolarHBondContact OD2-CD 3.45Å; D201-R205 VanDerWaalsContact OD2-CG 3.28Å; D201-R205 WeakPolarHBondContact OD2-CG 3.27Å; D201-R205 IonicContact OD2-CZ 2.65Å; D201-R205 IonicContact OD2-NE 3.82Å; D201-R205 PolarHBondContact OD2-NE 3.17Å; D201-R205 IonicContact OD2-NH1 3.27Å; D201-R205 PolarHBondContact OD2-NH1 2.82Å |
| 202 | N | 84.5 | Confident | 84.7 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | trans | -64.9 | 138.1 | 177.2 | -66.1 | -82.9 | 0 | 0 | 0 | 109.3 | R204 R205 L206 | N202-R204 PolarHBondContact O-N 3.38Å; N202-R205 WeakPolarHBondContact O-CA 3.3Å; N202-R205 PolarHBondContact O-N 2.79Å; N202-L206 PolarHBondContact O-N 3.32Å | ||
| 203 | D | 87 | Confident | 84.7 | Confident | 135 Ų | 135 | 84.1 Ų | 84.1 | 72% | 0.722 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -51.9 | -32.5 | 176.9 | -70.5 | -27.8 | 0 | 0 | 0 | 112.5 | R205 L206 A207 | D203-R205 PolarHBondContact O-N 3.34Å; D203-L206 PolarHBondContact O-N 3.48Å; D203-A207 VanDerWaalsContact O-CB 3.28Å; D203-A207 WeakPolarHBondContact O-CB 3.35Å; D203-A207 PolarHBondContact O-N 2.87Å |
| 204 | R | 88.9 | Confident | 84.8 | Confident | 226 Ų | 226 | 85.9 Ų | 85.9 | 85% | 0.853 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.5 | -40.3 | 174.1 | -176.2 | 176.1 | 168.9 | 154.1 | -1.2 | 113 | N202 D208 | N202-R204 PolarHBondContact O-N 3.38Å; R204-D208 PolarHBondContact O-N 3.3Å; R204-D208 VanDerWaalsContact O-N 3.08Å |
| 205 | R | 85.3 | Confident | 85.1 | Confident | 156 Ų | 156 | 85.1 Ų | 85.1 | 59% | 0.589 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -75.3 | -35.3 | 177.1 | 179.6 | 160.2 | 172.8 | -131.8 | 6.4 | 111.2 | D201 N202 D203 D208 H209 | D201-R205 WeakPolarHBondContact OD1-CD 3.1Å; D201-R205 IonicContact OD1-NH1 3.03Å; D201-R205 WeakPolarHBondContact OD2-CD 3.45Å; D201-R205 VanDerWaalsContact OD2-CG 3.28Å; D201-R205 WeakPolarHBondContact OD2-CG 3.27Å; D201-R205 IonicContact OD2-CZ 2.65Å; D201-R205 IonicContact OD2-NE 3.82Å; D201-R205 PolarHBondContact OD2-NE 3.17Å; D201-R205 IonicContact OD2-NH1 3.27Å; D201-R205 PolarHBondContact OD2-NH1 2.82Å; N202-R205 WeakPolarHBondContact O-CA 3.3Å; N202-R205 PolarHBondContact O-N 2.79Å; D203-R205 PolarHBondContact O-N 3.34Å; R205-D208 PolarHBondContact O-N 3.03Å; R205-H209 PolarHBondContact O-N 3.17Å |
| 206 | L | 84.8 | Confident | 85.4 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 29% | 0.293 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 172.9 | -173.5 | 62.2 | 0 | 0 | 0 | 111.4 | L197 N202 D203 H209 F210 | L197-L206 HydrophobicContact CD2-CD1 3.47Å; L197-L206 VanDerWaalsContact CD2-CD1 3.47Å; L197-L206 HydrophobicContact CG-CD1 4.38Å; N202-L206 PolarHBondContact O-N 3.32Å; D203-L206 PolarHBondContact O-N 3.48Å; L206-H209 WeakPolarHBondContact O-CB 3.16Å; L206-H209 PolarHBondContact O-N 2.98Å; L206-F210 HydrophobicContact CD1-CD2 4Å; L206-F210 HydrophobicContact CD1-CE2 3.31Å; L206-F210 HydrophobicContact CD1-CZ 3.9Å; L206-F210 HydrophobicContact CD2-CE2 4Å; L206-F210 HydrophobicContact CG-CD2 3.82Å; L206-F210 HydrophobicContact CG-CE2 3.4Å; L206-F210 HydrophobicContact CG-CZ 4.43Å; L206-F210 WeakPolarHBondContact O-CD2 3.32Å; L206-F210 PolarHBondContact O-N 3.21Å |
| 207 | A | 88.2 | Confident | 85.5 | Confident | 60 Ų | 60 | 81.9 Ų | 81.9 | 50% | 0.496 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D203 H209 F210 G211 | D203-A207 VanDerWaalsContact O-CB 3.28Å; D203-A207 WeakPolarHBondContact O-CB 3.35Å; D203-A207 PolarHBondContact O-N 2.87Å; A207-H209 VanDerWaalsContact C-N 3.29Å; A207-H209 PolarHBondContact O-N 3.09Å; A207-F210 PolarHBondContact O-N 3.18Å; A207-G211 PolarHBondContact O-N 3.42Å |
| 208 | D | 89.7 | Confident | 85.6 | Confident | 121 Ų | 121 | 81.2 Ų | 81.2 | 65% | 0.647 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.1 | -34 | 173.2 | -175.4 | 62.6 | 0 | 0 | 0 | 112.2 | R204 R205 G212 | R204-D208 PolarHBondContact O-N 3.3Å; R204-D208 VanDerWaalsContact O-N 3.08Å; R205-D208 PolarHBondContact O-N 3.03Å; D208-G212 WeakPolarHBondContact O-CA 2.92Å; D208-G212 PolarHBondContact O-N 3.24Å |
| 209 | H | 87.7 | Confident | 86 | Confident | 39 Ų | 39 | 82.5 Ų | 82.5 | 18% | 0.181 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.1 | -49.6 | 172.8 | -177.6 | 70.1 | 0 | 0 | 0 | 111.9 | C190 A195 R205 L206 A207 G212 H215 | C190-H209 WeakPolarHBondContact CB-NE2 3.29Å; C190-H209 PolarHBondContact SG-NE2 3.38Å; A195-H209 VanDerWaalsContact CB-CE1 3.47Å; A195-H209 WeakPolarHBondContact CB-CE1 3.4Å; R205-H209 PolarHBondContact O-N 3.17Å; L206-H209 WeakPolarHBondContact O-CB 3.16Å; L206-H209 PolarHBondContact O-N 2.98Å; A207-H209 VanDerWaalsContact C-N 3.29Å; A207-H209 PolarHBondContact O-N 3.09Å; H209-G212 PolarHBondContact O-N 3.26Å; H209-H215 VanDerWaalsContact O-CB 3.32Å; H209-H215 WeakPolarHBondContact O-CB 3.35Å |
| 210 | F | 88.6 | Confident | 86.5 | Confident | 90 Ų | 90 | 82.1 Ų | 82.1 | 40% | 0.395 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.6 | -33.7 | -178.4 | -68.2 | -57.4 | 0 | 0 | 0 | 113.6 | L197 L206 A207 G212 H215 | L197-F210 HydrophobicContact CD2-CZ 4.42Å; L206-F210 HydrophobicContact CD1-CD2 4Å; L206-F210 HydrophobicContact CD1-CE2 3.31Å; L206-F210 HydrophobicContact CD1-CZ 3.9Å; L206-F210 HydrophobicContact CD2-CE2 4Å; L206-F210 HydrophobicContact CG-CD2 3.82Å; L206-F210 HydrophobicContact CG-CE2 3.4Å; L206-F210 HydrophobicContact CG-CZ 4.43Å; L206-F210 WeakPolarHBondContact O-CD2 3.32Å; L206-F210 PolarHBondContact O-N 3.21Å; A207-F210 PolarHBondContact O-N 3.18Å; F210-G212 VanDerWaalsContact C-N 3.3Å; F210-H215 AromaticContact CD1-CD2 3.84Å; F210-H215 AromaticContact CD1-CE1 3.68Å; F210-H215 AromaticContact CD1-NE2 3.49Å; F210-H215 WeakPolarHBondContact CD1-NE2 3.44Å; F210-H215 AromaticContact CE1-CE1 3.92Å |
| 211 | G | 87.7 | Confident | 87.2 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 53% | 0.526 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -2.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A207 | A207-G211 PolarHBondContact O-N 3.42Š|
| 212 | G | 87.6 | Confident | 87.5 | Confident | 20 Ų | 20 | 77.2 Ų | 77.2 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -69 | 146.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D208 H209 F210 L214 H215 L216 | D208-G212 WeakPolarHBondContact O-CA 2.92Å; D208-G212 PolarHBondContact O-N 3.24Å; H209-G212 PolarHBondContact O-N 3.26Å; F210-G212 VanDerWaalsContact C-N 3.3Å; G212-L214 PolarHBondContact O-N 3.49Å; G212-L214 VanDerWaalsContact O-N 3.08Å; G212-H215 PolarHBondContact O-N 3.2Å; G212-L216 PolarHBondContact O-N 3.14Å; G212-L216 VanDerWaalsContact O-N 3.16Å |
| 213 | K | 85.8 | Confident | 87.8 | Confident | 169 Ų | 169 | 76.6 Ų | 76.6 | 74% | 0.735 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -53.4 | -32.8 | 177.6 | -61.9 | -178.4 | -178.3 | -178.8 | 0 | 113.1 | T52 G217 | T52-K213 HydrophobicContact CG2-CB 4.26Å; K213-G217 PolarHBondContact O-N 3.02Å |
| 214 | L | 84.8 | Confident | 87.8 | Confident | 45 Ų | 45 | 73.6 Ų | 73.6 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -49.2 | 175 | -82.9 | 169 | 0 | 0 | 0 | 112.2 | T52 R53 M54 G212 F218 | T52-L214 HydrophobicContact CG2-CD2 3.82Å; T52-L214 HydrophobicContact CG2-CG 3.9Å; T52-L214 VanDerWaalsContact OG1-CD2 3.28Å; T52-L214 WeakPolarHBondContact OG1-CD2 3.3Å; R53-L214 HydrophobicContact CB-CD1 4.28Å; M54-L214 HydrophobicContact CB-CD2 4.36Å; M54-L214 HydrophobicContact CG-CD2 4.38Å; G212-L214 PolarHBondContact O-N 3.49Å; G212-L214 VanDerWaalsContact O-N 3.08Å; L214-F218 HydrophobicContact CD2-CE2 4.39Å; L214-F218 WeakPolarHBondContact O-CD2 3.49Å; L214-F218 PolarHBondContact O-N 3.37Å; L214-F218 VanDerWaalsContact O-N 3.16Å |
| 215 | H | 87.6 | Confident | 87.7 | Confident | 17 Ų | 17 | 63 Ų | 63 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.1 | -45.1 | -175.6 | -163.7 | 80.9 | 0 | 0 | 0 | 111.8 | V192 C193 H209 F210 G212 G217 F218 I219 | V192-H215 VanDerWaalsContact CB-CE1 3.44Å; V192-H215 WeakPolarHBondContact CB-CE1 3.01Å; C193-H215 WeakPolarHBondContact SG-CA 3.41Å; C193-H215 WeakPolarHBondContact SG-CB 3.48Å; C193-H215 PolarHBondContact SG-ND1 3.24Å; H209-H215 VanDerWaalsContact O-CB 3.32Å; H209-H215 WeakPolarHBondContact O-CB 3.35Å; F210-H215 AromaticContact CD1-CD2 3.84Å; F210-H215 AromaticContact CD1-CE1 3.68Å; F210-H215 AromaticContact CD1-NE2 3.49Å; F210-H215 WeakPolarHBondContact CD1-NE2 3.44Å; F210-H215 AromaticContact CE1-CE1 3.92Å; G212-H215 PolarHBondContact O-N 3.2Å; H215-G217 VanDerWaalsContact C-N 3.35Å; H215-G217 PolarHBondContact O-N 3.16Å; H215-F218 PolarHBondContact O-N 3.08Å; H215-I219 WeakPolarHBondContact CD2-CD1 3.24Å; H215-I219 WeakPolarHBondContact O-CG1 3.08Å; H215-I219 PolarHBondContact O-N 2.84Å |
| 216 | L | 89 | Confident | 87.9 | Confident | 80 Ų | 80 | 62.1 Ų | 62.1 | 42% | 0.419 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.7 | -62.2 | 177.3 | 0 | 0 | 0 | 111.5 | G212 F218 I219 E220 | G212-L216 PolarHBondContact O-N 3.14Å; G212-L216 VanDerWaalsContact O-N 3.16Å; L216-F218 VanDerWaalsContact C-N 3.34Å; L216-F218 PolarHBondContact O-N 3.15Å; L216-I219 PolarHBondContact O-N 3.3Å; L216-I219 VanDerWaalsContact O-N 3.15Å; L216-E220 WeakPolarHBondContact O-CG 3.45Å; L216-E220 PolarHBondContact O-N 2.77Å |
| 217 | G | 87 | Confident | 88.1 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V48 K213 H215 E220 I221 | V48-G217 VanDerWaalsContact CG1-CA 3.46Å; K213-G217 PolarHBondContact O-N 3.02Å; H215-G217 VanDerWaalsContact C-N 3.35Å; H215-G217 PolarHBondContact O-N 3.16Å; G217-E220 PolarHBondContact O-N 2.83Å; G217-I221 WeakPolarHBondContact O-CB 3.23Å; G217-I221 WeakPolarHBondContact O-CD1 3.36Å; G217-I221 WeakPolarHBondContact O-CG1 3.43Å; G217-I221 PolarHBondContact O-N 3.46Å |
| 218 | F | 88.2 | Confident | 87.9 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.5 | -34.1 | 174.9 | -80.6 | -62.8 | 0 | 0 | 0 | 113.3 | L49 F93 C97 V192 C193 L214 H215 L216 R222 | L49-F218 HydrophobicContact CD1-CE1 4.46Å; L49-F218 HydrophobicContact CD1-CZ 4.46Å; L49-F218 HydrophobicContact CD2-CE2 4.38Å; L49-F218 HydrophobicContact CD2-CZ 4.35Å; F93-F218 HydrophobicContact CE1-CD1 4.46Å; F93-F218 AromaticContact CE1-CE1 3.85Å; F93-F218 HydrophobicContact CE1-CE1 3.85Å; F93-F218 HydrophobicContact CZ-CE1 4.13Å; C97-F218 HydrophobicContact CB-CE1 4.4Å; V192-F218 HydrophobicContact CG1-CB 3.33Å; V192-F218 HydrophobicContact CG1-CG 4.25Å; C193-F218 HydrophobicContact CB-CD2 4.38Å; L214-F218 HydrophobicContact CD2-CE2 4.39Å; L214-F218 WeakPolarHBondContact O-CD2 3.49Å; L214-F218 PolarHBondContact O-N 3.37Å; L214-F218 VanDerWaalsContact O-N 3.16Å; H215-F218 PolarHBondContact O-N 3.08Å; L216-F218 VanDerWaalsContact C-N 3.34Å; L216-F218 PolarHBondContact O-N 3.15Å; F218-R222 WeakPolarHBondContact O-CB 3.24Å; F218-R222 VanDerWaalsContact O-CG 3.28Å; F218-R222 WeakPolarHBondContact O-CG 3.42Å; F218-R222 PolarHBondContact O-N 3.41Å |
| 219 | I | 90.5 | Very high | 87.7 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -50 | 172.8 | -68.9 | 167.9 | 0 | 0 | 0 | 109.4 | V192 H215 L216 I221 R222 E223 | V192-I219 HydrophobicContact CG1-CG1 4.35Å; H215-I219 WeakPolarHBondContact CD2-CD1 3.24Å; H215-I219 WeakPolarHBondContact O-CG1 3.08Å; H215-I219 PolarHBondContact O-N 2.84Å; L216-I219 PolarHBondContact O-N 3.3Å; L216-I219 VanDerWaalsContact O-N 3.15Å; I219-I221 VanDerWaalsContact C-N 3.3Å; I219-I221 PolarHBondContact O-N 2.78Å; I219-R222 WeakPolarHBondContact O-CB 3.34Å; I219-R222 PolarHBondContact O-N 2.79Å; I219-E223 HydrophobicContact CG2-CG 4.12Å; I219-E223 WeakPolarHBondContact O-CG 3.28Å; I219-E223 PolarHBondContact O-N 3.36Å |
| 220 | E | 89.1 | Confident | 87.8 | Confident | 102 Ų | 102 | 67.9 Ų | 67.9 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.4 | -44.6 | 177.4 | -72.5 | 174.6 | -170.8 | 0 | 0 | 111.3 | L216 G217 R222 K224 | L216-E220 WeakPolarHBondContact O-CG 3.45Å; L216-E220 PolarHBondContact O-N 2.77Å; G217-E220 PolarHBondContact O-N 2.83Å; E220-R222 VanDerWaalsContact C-N 3.35Å; E220-R222 PolarHBondContact O-N 2.95Å; E220-K224 WeakPolarHBondContact O-CB 3.49Å; E220-K224 WeakPolarHBondContact O-CG 3.17Å; E220-K224 PolarHBondContact O-N 3.36Å |
| 221 | I | 88.5 | Confident | 87.6 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 177 | -70.4 | 165.1 | 0 | 0 | 0 | 111.8 | V48 L49 L90 F93 I94 G217 I219 L225 | V48-I221 HydrophobicContact CB-CD1 4.22Å; V48-I221 HydrophobicContact CB-CG1 4.41Å; V48-I221 HydrophobicContact CG1-CD1 4.05Å; V48-I221 HydrophobicContact CG1-CG1 4.15Å; L49-I221 HydrophobicContact CD1-CD1 4.43Å; L49-I221 HydrophobicContact CD2-CD1 4.45Å; L49-I221 HydrophobicContact CG-CD1 4.22Å; L90-I221 HydrophobicContact CD2-CG2 3.8Å; F93-I221 HydrophobicContact CD1-CG2 4.35Å; F93-I221 HydrophobicContact CE1-CD1 4.13Å; I94-I221 HydrophobicContact CD1-CG2 4.09Å; I94-I221 HydrophobicContact CG1-CG2 4.08Å; G217-I221 WeakPolarHBondContact O-CB 3.23Å; G217-I221 WeakPolarHBondContact O-CD1 3.36Å; G217-I221 WeakPolarHBondContact O-CG1 3.43Å; G217-I221 PolarHBondContact O-N 3.46Å; I219-I221 VanDerWaalsContact C-N 3.3Å; I219-I221 PolarHBondContact O-N 2.78Å; I221-L225 WeakPolarHBondContact O-CB 3.39Å; I221-L225 PolarHBondContact O-N 2.98Å |
| 222 | R | 87.9 | Confident | 87.3 | Confident | 67 Ų | 67 | 64 Ų | 64 | 25% | 0.253 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.7 | -49.8 | 177.6 | -78 | 170 | -173.9 | -121.5 | -8.5 | 111.6 | I94 D98 E191 F218 I219 E220 K224 L225 E226 | I94-R222 HydrophobicContact CD1-CB 4.31Å; I94-R222 HydrophobicContact CD1-CG 3.55Å; D98-R222 IonicContact OD1-CZ 3.61Å; D98-R222 IonicContact OD1-NH2 2.71Å; D98-R222 PolarHBondContact OD1-NH2 3.34Å; E191-R222 PolarHBondContact O-NH2 2.82Å; F218-R222 WeakPolarHBondContact O-CB 3.24Å; F218-R222 VanDerWaalsContact O-CG 3.28Å; F218-R222 WeakPolarHBondContact O-CG 3.42Å; F218-R222 PolarHBondContact O-N 3.41Å; I219-R222 WeakPolarHBondContact O-CB 3.34Å; I219-R222 PolarHBondContact O-N 2.79Å; E220-R222 VanDerWaalsContact C-N 3.35Å; E220-R222 PolarHBondContact O-N 2.95Å; R222-K224 VanDerWaalsContact C-N 3.33Å; R222-K224 PolarHBondContact O-N 3.31Å; R222-L225 WeakPolarHBondContact O-CB 3.39Å; R222-L225 PolarHBondContact O-N 2.85Å; R222-L225 VanDerWaalsContact O-N 3.11Å; R222-E226 PolarHBondContact O-N 3.19Å |
| 223 | E | 90.9 | Very high | 87.2 | Confident | 107 Ų | 107 | 65.1 Ų | 65.1 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 177.1 | -71.6 | -179.4 | 169.4 | 0 | 0 | 110.7 | I219 L225 E226 E227 | I219-E223 HydrophobicContact CG2-CG 4.12Å; I219-E223 WeakPolarHBondContact O-CG 3.28Å; I219-E223 PolarHBondContact O-N 3.36Å; E223-L225 VanDerWaalsContact C-N 3.28Å; E223-L225 PolarHBondContact O-N 3.45Å; E223-E226 PolarHBondContact O-N 2.79Å; E223-E226 VanDerWaalsContact O-N 3.12Å; E223-E227 WeakPolarHBondContact O-CG 3.14Å; E223-E227 PolarHBondContact O-N 3.22Å |
| 224 | K | 85.2 | Confident | 87.3 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 32% | 0.317 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.5 | -35.3 | 175.7 | -71.1 | -70.8 | 159.4 | -153.6 | 0 | 112.6 | C43 E220 R222 E227 L228 | C43-K224 VanDerWaalsContact SG-CB 3.52Å; C43-K224 VanDerWaalsContact SG-CD 3.58Å; C43-K224 VanDerWaalsContact SG-CG 3.56Å; E220-K224 WeakPolarHBondContact O-CB 3.49Å; E220-K224 WeakPolarHBondContact O-CG 3.17Å; E220-K224 PolarHBondContact O-N 3.36Å; R222-K224 VanDerWaalsContact C-N 3.33Å; R222-K224 PolarHBondContact O-N 3.31Å; K224-E227 WeakPolarHBondContact CD-OE2 3.25Å; K224-E227 IonicContact NZ-OE1 3.04Å; K224-E227 IonicContact NZ-OE2 2.64Å; K224-E227 PolarHBondContact NZ-OE2 3.47Å; K224-E227 PolarHBondContact O-N 2.82Å; K224-L228 WeakPolarHBondContact O-CB 3.38Å; K224-L228 VanDerWaalsContact O-CG 3.26Å; K224-L228 WeakPolarHBondContact O-CG 3.35Å; K224-L228 PolarHBondContact O-N 2.95Å |
| 225 | L | 87.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | 173 | -99.7 | -176.4 | 0 | 0 | 0 | 113.4 | M87 L90 I94 I221 R222 E223 L228 K229 | M87-L225 HydrophobicContact CG-CD2 4.13Å; L90-L225 VanDerWaalsContact C-CD1 3.48Å; L90-L225 HydrophobicContact CB-CD1 3.63Å; L90-L225 HydrophobicContact CB-CD2 3.3Å; L90-L225 HydrophobicContact CB-CG 3.38Å; L90-L225 HydrophobicContact CD1-CD2 3.93Å; L90-L225 HydrophobicContact CD1-CG 4.01Å; L90-L225 HydrophobicContact CG-CD2 4.28Å; L90-L225 HydrophobicContact CG-CG 4.27Å; L90-L225 WeakPolarHBondContact O-CD1 3.46Å; I94-L225 HydrophobicContact CB-CD1 4.02Å; I94-L225 HydrophobicContact CD1-CB 4.41Å; I94-L225 HydrophobicContact CD1-CD1 3.19Å; I94-L225 HydrophobicContact CD1-CG 4.24Å; I94-L225 HydrophobicContact CG1-CD1 3.53Å; I221-L225 WeakPolarHBondContact O-CB 3.39Å; I221-L225 PolarHBondContact O-N 2.98Å; R222-L225 WeakPolarHBondContact O-CB 3.39Å; R222-L225 PolarHBondContact O-N 2.85Å; R222-L225 VanDerWaalsContact O-N 3.11Å; E223-L225 VanDerWaalsContact C-N 3.28Å; E223-L225 PolarHBondContact O-N 3.45Å; L225-L228 PolarHBondContact O-N 3.36Å; L225-K229 WeakPolarHBondContact O-CB 3.38Å; L225-K229 WeakPolarHBondContact O-CG 3.39Å; L225-K229 PolarHBondContact O-N 3.4Å |
| 226 | E | 89.7 | Confident | 86.7 | Confident | 136 Ų | 136 | 66.1 Ų | 66.1 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66 | -41.9 | 175.3 | -69.7 | -178 | 178.7 | 0 | 0 | 111.3 | R222 E223 K229 R230 | R222-E226 PolarHBondContact O-N 3.19Å; E223-E226 PolarHBondContact O-N 2.79Å; E223-E226 VanDerWaalsContact O-N 3.12Å; E226-K229 PolarHBondContact O-N 3.48Å; E226-R230 VanDerWaalsContact O-CB 3.31Å; E226-R230 WeakPolarHBondContact O-CB 3.3Å; E226-R230 PolarHBondContact O-N 2.83Å |
| 227 | E | 88 | Confident | 86.5 | Confident | 94 Ų | 94 | 67.7 Ų | 67.7 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.4 | -49.9 | 172 | -72.9 | 178.6 | 179.3 | 0 | 0 | 111.3 | E223 K224 K229 R230 V231 | E223-E227 WeakPolarHBondContact O-CG 3.14Å; E223-E227 PolarHBondContact O-N 3.22Å; K224-E227 WeakPolarHBondContact CD-OE2 3.25Å; K224-E227 IonicContact NZ-OE1 3.04Å; K224-E227 IonicContact NZ-OE2 2.64Å; K224-E227 PolarHBondContact NZ-OE2 3.47Å; K224-E227 PolarHBondContact O-N 2.82Å; E227-K229 PolarHBondContact O-N 2.98Å; E227-R230 WeakPolarHBondContact O-CB 3.48Å; E227-R230 PolarHBondContact O-N 3.43Å; E227-R230 VanDerWaalsContact O-N 3.17Å; E227-V231 WeakPolarHBondContact O-CG2 3.46Å; E227-V231 PolarHBondContact O-N 2.9Å |
| 228 | L | 85.1 | Confident | 86.4 | Confident | 15 Ų | 15 | 73 Ų | 73 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 179.3 | -73.9 | 171.6 | 0 | 0 | 0 | 111.9 | L41 E83 A86 M87 L90 K224 L225 R230 V231 V232 | L41-L228 HydrophobicContact CD1-CD2 4.23Å; E83-L228 HydrophobicContact CB-CD2 4.2Å; E83-L228 HydrophobicContact CG-CD2 4.17Å; A86-L228 HydrophobicContact CB-CD1 4.37Å; M87-L228 HydrophobicContact CB-CB 4.43Å; L90-L228 HydrophobicContact CD1-CD1 3.53Å; K224-L228 WeakPolarHBondContact O-CB 3.38Å; K224-L228 VanDerWaalsContact O-CG 3.26Å; K224-L228 WeakPolarHBondContact O-CG 3.35Å; K224-L228 PolarHBondContact O-N 2.95Å; L225-L228 PolarHBondContact O-N 3.36Å; L228-R230 VanDerWaalsContact C-N 3.28Å; L228-R230 PolarHBondContact O-N 3.48Å; L228-V231 PolarHBondContact O-N 2.82Å; L228-V232 WeakPolarHBondContact O-CB 3.47Å; L228-V232 VanDerWaalsContact O-CG2 3.22Å; L228-V232 WeakPolarHBondContact O-CG2 3.38Å; L228-V232 PolarHBondContact O-N 3.26Å |
| 229 | K | 86.4 | Confident | 86.1 | Confident | 98 Ų | 98 | 79.4 Ų | 79.4 | 43% | 0.426 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 173.4 | -77 | 172.1 | -177.8 | 175.1 | 0 | 111.2 | M87 L225 E226 E227 A233 | M87-K229 HydrophobicContact CG-CG 4.33Å; M87-K229 HydrophobicContact SD-CG 4.08Å; L225-K229 WeakPolarHBondContact O-CB 3.38Å; L225-K229 WeakPolarHBondContact O-CG 3.39Å; L225-K229 PolarHBondContact O-N 3.4Å; E226-K229 PolarHBondContact O-N 3.48Å; E227-K229 PolarHBondContact O-N 2.98Å; K229-A233 WeakPolarHBondContact O-CB 3.38Å; K229-A233 PolarHBondContact O-N 2.81Å |
| 230 | R | 88 | Confident | 85.8 | Confident | 191 Ų | 191 | 81.4 Ų | 81.4 | 72% | 0.721 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.9 | -45.4 | 177 | -175.4 | -178.7 | 176.8 | -175.6 | -0.1 | 111.7 | E226 E227 L228 A233 E234 | E226-R230 VanDerWaalsContact O-CB 3.31Å; E226-R230 WeakPolarHBondContact O-CB 3.3Å; E226-R230 PolarHBondContact O-N 2.83Å; E227-R230 WeakPolarHBondContact O-CB 3.48Å; E227-R230 PolarHBondContact O-N 3.43Å; E227-R230 VanDerWaalsContact O-N 3.17Å; L228-R230 VanDerWaalsContact C-N 3.28Å; L228-R230 PolarHBondContact O-N 3.48Å; R230-A233 PolarHBondContact O-N 3.1Å; R230-E234 WeakPolarHBondContact O-CB 2.78Å; R230-E234 PolarHBondContact O-N 2.85Å |
| 231 | V | 84.3 | Confident | 85.6 | Confident | 50 Ų | 50 | 81.3 Ų | 81.3 | 30% | 0.303 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | E83 E227 L228 E234 K235 | E83-V231 WeakPolarHBondContact OE2-CG1 3.2Å; E227-V231 WeakPolarHBondContact O-CG2 3.46Å; E227-V231 PolarHBondContact O-N 2.9Å; L228-V231 PolarHBondContact O-N 2.82Å; V231-E234 PolarHBondContact O-N 3.36Å; V231-K235 HydrophobicContact CG1-CD 4.17Å; V231-K235 HydrophobicContact CG1-CG 4.49Å; V231-K235 WeakPolarHBondContact O-CB 3.41Å; V231-K235 VanDerWaalsContact O-CG 3.3Å; V231-K235 WeakPolarHBondContact O-CG 3.41Å; V231-K235 PolarHBondContact O-N 2.82Å |
| 232 | V | 82.5 | Confident | 85.6 | Confident | 10 Ų | 10 | 85.8 Ų | 85.8 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | E83 L84 M87 L228 K235 Q236 | E83-V232 HydrophobicContact CB-CG2 4.31Å; L84-V232 HydrophobicContact CD2-CB 4.35Å; L84-V232 HydrophobicContact CD2-CG1 3.58Å; L84-V232 HydrophobicContact CD2-CG2 3.74Å; M87-V232 HydrophobicContact SD-CB 4.46Å; M87-V232 HydrophobicContact SD-CG1 4.5Å; M87-V232 HydrophobicContact SD-CG2 4.27Å; L228-V232 WeakPolarHBondContact O-CB 3.47Å; L228-V232 VanDerWaalsContact O-CG2 3.22Å; L228-V232 WeakPolarHBondContact O-CG2 3.38Å; L228-V232 PolarHBondContact O-N 3.26Å; V232-K235 PolarHBondContact O-N 3.49Å; V232-Q236 HydrophobicContact CG1-CG 4.36Å; V232-Q236 WeakPolarHBondContact O-CB 3.34Å; V232-Q236 VanDerWaalsContact O-CG 3.23Å; V232-Q236 WeakPolarHBondContact O-CG 3.35Å; V232-Q236 PolarHBondContact O-N 3.49Å |
| 233 | A | 85.3 | Confident | 85.5 | Confident | 42 Ų | 42 | 89.3 Ų | 89.3 | 35% | 0.347 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K229 R230 K235 Q236 E237 | K229-A233 WeakPolarHBondContact O-CB 3.38Å; K229-A233 PolarHBondContact O-N 2.81Å; R230-A233 PolarHBondContact O-N 3.1Å; A233-K235 VanDerWaalsContact C-N 3.34Å; A233-K235 PolarHBondContact O-N 3.29Å; A233-Q236 CarbonylContact O-C 3.52Å; A233-Q236 PolarHBondContact O-N 2.97Å; A233-E237 WeakPolarHBondContact O-CB 3.46Å; A233-E237 WeakPolarHBondContact O-CG 3.45Å; A233-E237 PolarHBondContact O-N 3.46Å |
| 234 | E | 87.3 | Confident | 85.4 | Confident | 86 Ų | 86 | 88.7 Ų | 88.7 | 40% | 0.402 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 177 | -170.6 | -173.4 | 161 | 0 | 0 | 111.5 | R230 V231 E237 K238 | R230-E234 WeakPolarHBondContact O-CB 2.78Å; R230-E234 PolarHBondContact O-N 2.85Å; V231-E234 PolarHBondContact O-N 3.36Å; E234-E237 PolarHBondContact O-N 3.43Å; E234-K238 HydrophobicContact CG-CD 4.4Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 VanDerWaalsContact O-CG 3.29Å; E234-K238 WeakPolarHBondContact O-CG 3.33Å; E234-K238 PolarHBondContact O-N 2.86Å; E234-K238 WeakPolarHBondContact OE1-CE 3.38Å; E234-K238 IonicContact OE1-NZ 3.49Å; E234-K238 PolarHBondContact OE1-NZ 2.86Å |
| 235 | K | 82.7 | Confident | 85.6 | Confident | 55 Ų | 55 | 91.4 Ų | 91.4 | 24% | 0.239 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 174.8 | -74.4 | -177.2 | -175.5 | -173.3 | 0 | 111.8 | D79 E83 V231 V232 A233 K238 R239 | D79-K235 WeakPolarHBondContact OD1-CE 3.48Å; D79-K235 IonicContact OD1-NZ 2.69Å; D79-K235 PolarHBondContact OD1-NZ 3.25Å; E83-K235 IonicContact OE1-NZ 3.23Å; E83-K235 PolarHBondContact OE1-NZ 3.33Å; E83-K235 WeakPolarHBondContact OE2-CD 3.45Å; E83-K235 VanDerWaalsContact OE2-CE 3.25Å; E83-K235 WeakPolarHBondContact OE2-CE 3.42Å; E83-K235 IonicContact OE2-NZ 2.68Å; E83-K235 PolarHBondContact OE2-NZ 2.78Å; V231-K235 HydrophobicContact CG1-CD 4.17Å; V231-K235 HydrophobicContact CG1-CG 4.49Å; V231-K235 WeakPolarHBondContact O-CB 3.41Å; V231-K235 VanDerWaalsContact O-CG 3.3Å; V231-K235 WeakPolarHBondContact O-CG 3.41Å; V231-K235 PolarHBondContact O-N 2.82Å; V232-K235 PolarHBondContact O-N 3.49Å; A233-K235 VanDerWaalsContact C-N 3.34Å; A233-K235 PolarHBondContact O-N 3.29Å; K235-K238 PolarHBondContact O-N 3.38Å; K235-R239 VanDerWaalsContact O-CB 3.3Å; K235-R239 WeakPolarHBondContact O-CB 3.19Å; K235-R239 PolarHBondContact O-N 3.22Å |
| 236 | Q | 78.7 | Confident | 85.5 | Confident | 111 Ų | 111 | 98 Ų | 98 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 174.2 | -74.2 | 179.6 | 15.6 | 0 | 0 | 111.4 | V232 A233 R239 N240 | V232-Q236 HydrophobicContact CG1-CG 4.36Å; V232-Q236 WeakPolarHBondContact O-CB 3.34Å; V232-Q236 VanDerWaalsContact O-CG 3.23Å; V232-Q236 WeakPolarHBondContact O-CG 3.35Å; V232-Q236 PolarHBondContact O-N 3.49Å; A233-Q236 CarbonylContact O-C 3.52Å; A233-Q236 PolarHBondContact O-N 2.97Å; Q236-R239 PolarHBondContact O-N 3.11Å; Q236-N240 VanDerWaalsContact O-CB 3.28Å; Q236-N240 WeakPolarHBondContact O-CB 3.45Å; Q236-N240 PolarHBondContact O-N 3.18Å; Q236-N240 PolarHBondContact O-ND2 2.94Å |
| 237 | E | 84.6 | Confident | 85.5 | Confident | 114 Ų | 114 | 98.6 Ų | 98.6 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.5 | -47 | 175 | -77.7 | -175.7 | -179.7 | 0 | 0 | 111.7 | A233 E234 R239 N240 Q241 | A233-E237 WeakPolarHBondContact O-CB 3.46Å; A233-E237 WeakPolarHBondContact O-CG 3.45Å; A233-E237 PolarHBondContact O-N 3.46Å; E234-E237 PolarHBondContact O-N 3.43Å; E237-R239 VanDerWaalsContact C-N 3.28Å; E237-R239 PolarHBondContact O-N 3.29Å; E237-N240 CarbonylContact O-C 3.5Å; E237-N240 PolarHBondContact O-N 3.45Å; E237-N240 VanDerWaalsContact O-N 3.11Å; E237-Q241 VanDerWaalsContact O-CB 3.32Å; E237-Q241 WeakPolarHBondContact O-CB 3.08Å; E237-Q241 VanDerWaalsContact O-CG 3.24Å; E237-Q241 WeakPolarHBondContact O-CG 3.41Å; E237-Q241 PolarHBondContact O-N 3.38Å |
| 238 | K | 85.2 | Confident | 85.6 | Confident | 115 Ų | 115 | 98.4 Ų | 98.4 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.7 | -44.5 | 173.8 | -76.8 | 173.3 | -176.7 | 168.3 | 0 | 111 | E234 K235 N240 Q241 E242 | E234-K238 HydrophobicContact CG-CD 4.4Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 VanDerWaalsContact O-CG 3.29Å; E234-K238 WeakPolarHBondContact O-CG 3.33Å; E234-K238 PolarHBondContact O-N 2.86Å; E234-K238 WeakPolarHBondContact OE1-CE 3.38Å; E234-K238 IonicContact OE1-NZ 3.49Å; E234-K238 PolarHBondContact OE1-NZ 2.86Å; K235-K238 PolarHBondContact O-N 3.38Å; K238-N240 PolarHBondContact O-N 2.8Å; K238-Q241 PolarHBondContact O-N 3.09Å; K238-E242 WeakPolarHBondContact O-CB 3.39Å; K238-E242 PolarHBondContact O-N 3.32Å |
| 239 | R | 80.8 | Confident | 85.8 | Confident | 143 Ų | 143 | 103.3 Ų | 103.3 | 54% | 0.54 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.3 | -167.2 | -179.2 | -169.8 | -165.9 | 3.7 | 112.1 | K235 Q236 E237 R243 | K235-R239 VanDerWaalsContact O-CB 3.3Å; K235-R239 WeakPolarHBondContact O-CB 3.19Å; K235-R239 PolarHBondContact O-N 3.22Å; Q236-R239 PolarHBondContact O-N 3.11Å; E237-R239 VanDerWaalsContact C-N 3.28Å; E237-R239 PolarHBondContact O-N 3.29Å; R239-R243 WeakPolarHBondContact O-CB 3.43Å; R239-R243 WeakPolarHBondContact O-CG 3.37Å; R239-R243 PolarHBondContact O-N 3.01Å |
| 240 | N | 85.1 | Confident | 85.9 | Confident | 95 Ų | 95 | 106 Ų | 106 | 51% | 0.508 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.6 | -40.6 | 177.8 | -73.4 | -19.5 | 0 | 0 | 0 | 111.7 | Q236 E237 K238 R243 L244 | Q236-N240 VanDerWaalsContact O-CB 3.28Å; Q236-N240 WeakPolarHBondContact O-CB 3.45Å; Q236-N240 PolarHBondContact O-N 3.18Å; Q236-N240 PolarHBondContact O-ND2 2.94Å; E237-N240 CarbonylContact O-C 3.5Å; E237-N240 PolarHBondContact O-N 3.45Å; E237-N240 VanDerWaalsContact O-N 3.11Å; K238-N240 PolarHBondContact O-N 2.8Å; N240-R243 WeakPolarHBondContact O-CB 3.28Å; N240-R243 PolarHBondContact O-N 2.84Å; N240-L244 WeakPolarHBondContact O-CB 3.49Å; N240-L244 PolarHBondContact O-N 3.01Å |
| 241 | Q | 84.2 | Confident | 86 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 47% | 0.467 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 173.8 | -73 | 178.9 | 21.9 | 0 | 0 | 111.1 | E237 K238 R243 L244 K245 | E237-Q241 VanDerWaalsContact O-CB 3.32Å; E237-Q241 WeakPolarHBondContact O-CB 3.08Å; E237-Q241 VanDerWaalsContact O-CG 3.24Å; E237-Q241 WeakPolarHBondContact O-CG 3.41Å; E237-Q241 PolarHBondContact O-N 3.38Å; K238-Q241 PolarHBondContact O-N 3.09Å; Q241-R243 VanDerWaalsContact C-N 3.35Å; Q241-L244 PolarHBondContact O-N 3.01Å; Q241-K245 WeakPolarHBondContact O-CB 3.36Å; Q241-K245 VanDerWaalsContact O-CG 3.25Å; Q241-K245 WeakPolarHBondContact O-CG 3.3Å; Q241-K245 PolarHBondContact O-N 2.71Å |
| 242 | E | 87.8 | Confident | 86.1 | Confident | 95 Ų | 95 | 107 Ų | 107 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 174.6 | -164.1 | -163.2 | 157.9 | 0 | 0 | 111 | K238 L244 K245 R246 | K238-E242 WeakPolarHBondContact O-CB 3.39Å; K238-E242 PolarHBondContact O-N 3.32Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 2.83Å; E242-K245 PolarHBondContact O-N 3.03Å; E242-R246 WeakPolarHBondContact O-CB 3.48Å; E242-R246 VanDerWaalsContact O-CG 3.26Å; E242-R246 WeakPolarHBondContact O-CG 3.48Å; E242-R246 PolarHBondContact O-N 3.36Å; E242-R246 IonicContact OE1-CZ 3.15Å; E242-R246 VanDerWaalsContact OE1-CZ 3.23Å; E242-R246 IonicContact OE1-NE 3.89Å; E242-R246 PolarHBondContact OE1-NE 3.48Å; E242-R246 IonicContact OE1-NH2 3.17Å; E242-R246 PolarHBondContact OE1-NH2 3.24Å |
| 243 | R | 86.3 | Confident | 86.4 | Confident | 141 Ų | 141 | 110.8 Ų | 110.8 | 53% | 0.532 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 173.4 | -75.2 | 171.9 | 177.5 | -142.2 | 0.8 | 112.2 | R239 N240 Q241 R247 | R239-R243 WeakPolarHBondContact O-CB 3.43Å; R239-R243 WeakPolarHBondContact O-CG 3.37Å; R239-R243 PolarHBondContact O-N 3.01Å; N240-R243 WeakPolarHBondContact O-CB 3.28Å; N240-R243 PolarHBondContact O-N 2.84Å; Q241-R243 VanDerWaalsContact C-N 3.35Å; R243-R247 WeakPolarHBondContact O-CB 3.36Å; R243-R247 PolarHBondContact O-N 2.77Å |
| 244 | L | 89.1 | Confident | 86.5 | Confident | 94 Ų | 94 | 114.7 Ų | 114.7 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -49.1 | 177 | -164.6 | 96.7 | 0 | 0 | 0 | 110.5 | N240 Q241 E242 R246 R247 E248 | N240-L244 WeakPolarHBondContact O-CB 3.49Å; N240-L244 PolarHBondContact O-N 3.01Å; Q241-L244 PolarHBondContact O-N 3.01Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 2.83Å; L244-R246 VanDerWaalsContact C-N 3.35Å; L244-R246 PolarHBondContact O-N 2.87Å; L244-R247 CarbonylContact O-C 3.58Å; L244-R247 WeakPolarHBondContact O-CA 3.47Å; L244-R247 VanDerWaalsContact O-CB 3.32Å; L244-R247 WeakPolarHBondContact O-CB 3.21Å; L244-R247 PolarHBondContact O-N 3.15Å; L244-E248 WeakPolarHBondContact CD2-OE1 3.32Å; L244-E248 HydrophobicContact CG-CG 4.48Å; L244-E248 WeakPolarHBondContact O-CG 3.37Å; L244-E248 PolarHBondContact O-N 2.88Å |
| 245 | K | 88.6 | Confident | 86.5 | Confident | 131 Ų | 131 | 118.7 Ų | 118.7 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.2 | -45.9 | 175.7 | -74.3 | 173 | -177.5 | 176.8 | 0 | 111.6 | Q241 E242 R247 E248 E249 | Q241-K245 WeakPolarHBondContact O-CB 3.36Å; Q241-K245 VanDerWaalsContact O-CG 3.25Å; Q241-K245 WeakPolarHBondContact O-CG 3.3Å; Q241-K245 PolarHBondContact O-N 2.71Å; E242-K245 PolarHBondContact O-N 3.03Å; K245-R247 PolarHBondContact O-N 2.92Å; K245-E248 PolarHBondContact O-N 3.4Å; K245-E249 VanDerWaalsContact O-CB 3.25Å; K245-E249 WeakPolarHBondContact O-CB 3.39Å; K245-E249 PolarHBondContact O-N 3.48Å |
| 246 | R | 86.5 | Confident | 86.6 | Confident | 143 Ų | 143 | 120.5 Ų | 120.5 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -27.6 | 174 | -72.6 | 174.7 | -177.5 | -118.1 | 8.4 | 112.7 | E242 L244 R250 | E242-R246 WeakPolarHBondContact O-CB 3.48Å; E242-R246 VanDerWaalsContact O-CG 3.26Å; E242-R246 WeakPolarHBondContact O-CG 3.48Å; E242-R246 PolarHBondContact O-N 3.36Å; E242-R246 IonicContact OE1-CZ 3.15Å; E242-R246 VanDerWaalsContact OE1-CZ 3.23Å; E242-R246 IonicContact OE1-NE 3.89Å; E242-R246 PolarHBondContact OE1-NE 3.48Å; E242-R246 IonicContact OE1-NH2 3.17Å; E242-R246 PolarHBondContact OE1-NH2 3.24Å; L244-R246 VanDerWaalsContact C-N 3.35Å; L244-R246 PolarHBondContact O-N 2.87Å; R246-R250 VanDerWaalsContact O-CG 3.26Å; R246-R250 WeakPolarHBondContact O-CG 3.25Å; R246-R250 PolarHBondContact O-N 2.99Å; R246-R250 PolarHBondContact O-NE 3.41Å |
| 247 | R | 89.1 | Confident | 86.9 | Confident | 148 Ų | 148 | 121 Ų | 121 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -77.4 | -46.5 | 174.1 | -178.7 | -178.1 | 175.1 | 169.6 | 3.4 | 110.9 | R243 L244 K245 E249 R250 E251 | R243-R247 WeakPolarHBondContact O-CB 3.36Å; R243-R247 PolarHBondContact O-N 2.77Å; L244-R247 CarbonylContact O-C 3.58Å; L244-R247 WeakPolarHBondContact O-CA 3.47Å; L244-R247 VanDerWaalsContact O-CB 3.32Å; L244-R247 WeakPolarHBondContact O-CB 3.21Å; L244-R247 PolarHBondContact O-N 3.15Å; K245-R247 PolarHBondContact O-N 2.92Å; R247-E249 VanDerWaalsContact C-N 3.33Å; R247-E249 PolarHBondContact O-N 3.48Å; R247-R250 WeakPolarHBondContact O-CB 3.37Å; R247-R250 PolarHBondContact O-N 3.38Å; R247-E251 IonicContact CZ-OE1 3.66Å; R247-E251 IonicContact NE-OE1 2.92Å; R247-E251 PolarHBondContact NE-OE1 3.27Å; R247-E251 IonicContact NH2-OE1 3.21Å; R247-E251 WeakPolarHBondContact O-CG 3.39Å; R247-E251 PolarHBondContact O-N 3.36Å |
| 248 | E | 89.3 | Confident | 86.9 | Confident | 90 Ų | 90 | 121 Ų | 121 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 176.9 | -71 | -178.4 | 170 | 0 | 0 | 112.3 | L244 K245 E251 R252 | L244-E248 WeakPolarHBondContact CD2-OE1 3.32Å; L244-E248 HydrophobicContact CG-CG 4.48Å; L244-E248 WeakPolarHBondContact O-CG 3.37Å; L244-E248 PolarHBondContact O-N 2.88Å; K245-E248 PolarHBondContact O-N 3.4Å; E248-E251 PolarHBondContact O-N 3.12Å; E248-R252 WeakPolarHBondContact O-CB 3.47Å; E248-R252 WeakPolarHBondContact O-CG 3.29Å; E248-R252 PolarHBondContact O-N 2.95Å |
| 249 | E | 90.1 | Very high | 86.7 | Confident | 117 Ų | 117 | 124.7 Ų | 124.7 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 173.8 | -175.3 | 177.6 | -163.1 | 0 | 0 | 110.6 | K245 R247 E251 R252 E253 | K245-E249 VanDerWaalsContact O-CB 3.25Å; K245-E249 WeakPolarHBondContact O-CB 3.39Å; K245-E249 PolarHBondContact O-N 3.48Å; R247-E249 VanDerWaalsContact C-N 3.33Å; R247-E249 PolarHBondContact O-N 3.48Å; E249-E251 PolarHBondContact O-N 2.91Å; E249-R252 PolarHBondContact O-N 2.97Å; E249-E253 WeakPolarHBondContact O-CG 3.44Å; E249-E253 PolarHBondContact O-N 2.85Å |
| 250 | R | 88.7 | Confident | 86.5 | Confident | 155 Ų | 155 | 125.7 Ų | 125.7 | 59% | 0.585 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 173.5 | -76.9 | -178.8 | -75.2 | 170.6 | -1.9 | 112.1 | R246 R247 E253 E254 | R246-R250 VanDerWaalsContact O-CG 3.26Å; R246-R250 WeakPolarHBondContact O-CG 3.25Å; R246-R250 PolarHBondContact O-N 2.99Å; R246-R250 PolarHBondContact O-NE 3.41Å; R247-R250 WeakPolarHBondContact O-CB 3.37Å; R247-R250 PolarHBondContact O-N 3.38Å; R250-E253 PolarHBondContact O-N 2.87Å; R250-E254 WeakPolarHBondContact O-CB 3.39Å; R250-E254 WeakPolarHBondContact O-CG 3.5Å; R250-E254 PolarHBondContact O-N 2.87Å |
| 251 | E | 89.5 | Confident | 86.1 | Confident | 75 Ų | 75 | 124.4 Ų | 124.4 | 35% | 0.35 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 177.3 | -74.3 | -178.3 | -165.5 | 0 | 0 | 112.3 | R247 E248 E249 R255 | R247-E251 IonicContact CZ-OE1 3.66Å; R247-E251 IonicContact NE-OE1 2.92Å; R247-E251 PolarHBondContact NE-OE1 3.27Å; R247-E251 IonicContact NH2-OE1 3.21Å; R247-E251 WeakPolarHBondContact O-CG 3.39Å; R247-E251 PolarHBondContact O-N 3.36Å; E248-E251 PolarHBondContact O-N 3.12Å; E249-E251 PolarHBondContact O-N 2.91Å; E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 VanDerWaalsContact O-CG 3.28Å; E251-R255 WeakPolarHBondContact O-CG 3.35Å; E251-R255 PolarHBondContact O-N 2.84Å |
| 252 | R | 87.6 | Confident | 85.4 | Confident | 187 Ų | 187 | 129 Ų | 129 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.5 | -47.1 | 172.5 | -83.4 | -172.5 | -161.3 | -168.5 | 6.4 | 111.4 | E248 E249 E254 R255 E256 | E248-R252 WeakPolarHBondContact O-CB 3.47Å; E248-R252 WeakPolarHBondContact O-CG 3.29Å; E248-R252 PolarHBondContact O-N 2.95Å; E249-R252 PolarHBondContact O-N 2.97Å; R252-E254 VanDerWaalsContact C-N 3.31Å; R252-E254 PolarHBondContact O-N 3.4Å; R252-R255 PolarHBondContact O-N 2.89Å; R252-E256 WeakPolarHBondContact O-CB 3.43Å; R252-E256 PolarHBondContact O-N 3.08Å |
| 253 | E | 88.1 | Confident | 84.2 | Confident | 90 Ų | 90 | 128.9 Ų | 128.9 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60 | -42.1 | 176.4 | -77 | -166.8 | -179.2 | 0 | 0 | 111.8 | E249 R250 E256 K257 | E249-E253 WeakPolarHBondContact O-CG 3.44Å; E249-E253 PolarHBondContact O-N 2.85Å; R250-E253 PolarHBondContact O-N 2.87Å; E253-E256 PolarHBondContact O-N 3.23Å; E253-K257 WeakPolarHBondContact O-CB 3.27Å; E253-K257 VanDerWaalsContact O-CG 3.23Å; E253-K257 WeakPolarHBondContact O-CG 3.44Å; E253-K257 PolarHBondContact O-N 3.36Å; E253-K257 IonicContact OE2-NZ 2.64Å; E253-K257 PolarHBondContact OE2-NZ 3.44Å |
| 254 | E | 87.2 | Confident | 83.1 | Confident | 124 Ų | 124 | 130.3 Ų | 130.3 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.5 | -43.6 | 175.9 | -77.7 | -172.4 | 167.9 | 0 | 0 | 111.9 | R250 R252 E256 K257 L258 | R250-E254 WeakPolarHBondContact O-CB 3.39Å; R250-E254 WeakPolarHBondContact O-CG 3.5Å; R250-E254 PolarHBondContact O-N 2.87Å; R252-E254 VanDerWaalsContact C-N 3.31Å; R252-E254 PolarHBondContact O-N 3.4Å; E254-E256 VanDerWaalsContact C-N 3.31Å; E254-E256 PolarHBondContact O-N 3.28Å; E254-K257 PolarHBondContact O-N 3.33Å; E254-L258 WeakPolarHBondContact O-CB 3.46Å; E254-L258 WeakPolarHBondContact O-CG 3.29Å; E254-L258 PolarHBondContact O-N 3.48Å |
| 255 | R | 86.6 | Confident | 81.7 | Confident | 170 Ų | 170 | 130 Ų | 130 | 64% | 0.642 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.4 | -38.8 | 173.6 | -77.5 | 176.3 | -176.3 | -110.5 | 3 | 112 | E251 R252 L258 R259 | E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 VanDerWaalsContact O-CG 3.28Å; E251-R255 WeakPolarHBondContact O-CG 3.35Å; E251-R255 PolarHBondContact O-N 2.84Å; R252-R255 PolarHBondContact O-N 2.89Å; R255-L258 PolarHBondContact O-N 2.91Å; R255-R259 WeakPolarHBondContact O-CB 3.35Å; R255-R259 WeakPolarHBondContact O-CG 3.44Å; R255-R259 PolarHBondContact O-N 3.06Å |
| 256 | E | 86.1 | Confident | 79.9 | Confident | 93 Ų | 93 | 131.9 Ų | 131.9 | 44% | 0.435 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.5 | -42.8 | 176.8 | -166.1 | -174.9 | 174.7 | 0 | 0 | 111.6 | R252 E253 E254 L258 R259 R260 | R252-E256 WeakPolarHBondContact O-CB 3.43Å; R252-E256 PolarHBondContact O-N 3.08Å; E253-E256 PolarHBondContact O-N 3.23Å; E254-E256 VanDerWaalsContact C-N 3.31Å; E254-E256 PolarHBondContact O-N 3.28Å; E256-L258 PolarHBondContact O-N 3.21Å; E256-R259 PolarHBondContact O-N 3.16Å; E256-R260 PolarHBondContact O-N 3.46Å; E256-R260 IonicContact OE1-CZ 2.94Å; E256-R260 IonicContact OE1-NE 2.8Å; E256-R260 IonicContact OE1-NH1 2.71Å; E256-R260 PolarHBondContact OE1-NH1 2.86Å; E256-R260 IonicContact OE1-NH2 2.73Å; E256-R260 PolarHBondContact OE1-NH2 2.94Å |
| 257 | K | 85.4 | Confident | 78.2 | Confident | 121 Ų | 121 | 132.3 Ų | 132.3 | 53% | 0.526 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.7 | -44.4 | 172.7 | -73.8 | 165.3 | -171.6 | 159.4 | 0 | 111.2 | E253 E254 R260 S261 | E253-K257 WeakPolarHBondContact O-CB 3.27Å; E253-K257 VanDerWaalsContact O-CG 3.23Å; E253-K257 WeakPolarHBondContact O-CG 3.44Å; E253-K257 PolarHBondContact O-N 3.36Å; E253-K257 IonicContact OE2-NZ 2.64Å; E253-K257 PolarHBondContact OE2-NZ 3.44Å; E254-K257 PolarHBondContact O-N 3.33Å; K257-R260 PolarHBondContact O-N 3.46Å; K257-S261 PolarHBondContact O-N 3.17Å; K257-S261 PolarHBondContact O-OG 3.38Å |
| 258 | L | 84.1 | Confident | 76.6 | Confident | 115 Ų | 115 | 130 Ų | 130 | 60% | 0.602 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.9 | -44.8 | 175.1 | -76.8 | 165.7 | 0 | 0 | 0 | 111.8 | E254 R255 E256 S261 R262 | E254-L258 WeakPolarHBondContact O-CB 3.46Å; E254-L258 WeakPolarHBondContact O-CG 3.29Å; E254-L258 PolarHBondContact O-N 3.48Å; R255-L258 PolarHBondContact O-N 2.91Å; E256-L258 PolarHBondContact O-N 3.21Å; L258-S261 WeakPolarHBondContact CA-OG 3.38Å; L258-S261 PolarHBondContact O-N 3.48Å; L258-S261 PolarHBondContact O-OG 2.95Å; L258-R262 WeakPolarHBondContact O-CB 3.38Å; L258-R262 PolarHBondContact O-N 2.93Å |
| 259 | R | 80.8 | Confident | 74.5 | Confident | 192 Ų | 192 | 135.3 Ų | 135.3 | 73% | 0.725 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.8 | -47.7 | 174.7 | -77 | 178.5 | 176.4 | -167 | -0.6 | 111.7 | R255 E256 S261 R262 S263 | R255-R259 WeakPolarHBondContact O-CB 3.35Å; R255-R259 WeakPolarHBondContact O-CG 3.44Å; R255-R259 PolarHBondContact O-N 3.06Å; E256-R259 PolarHBondContact O-N 3.16Å; R259-S261 PolarHBondContact O-N 3.17Å; R259-R262 PolarHBondContact O-N 3.45Å; R259-S263 PolarHBondContact O-N 3.43Å; R259-S263 PolarHBondContact O-OG 3.05Å |
| 260 | R | 77 | Confident | 72.3 | Confident | 163 Ų | 163 | 141.1 Ų | 141.1 | 62% | 0.615 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -60 | -42.8 | 177.2 | -75.6 | 179.9 | 179.1 | 149 | -0.5 | 112.4 | E256 K257 H264 | E256-R260 PolarHBondContact O-N 3.46Å; E256-R260 IonicContact OE1-CZ 2.94Å; E256-R260 IonicContact OE1-NE 2.8Å; E256-R260 IonicContact OE1-NH1 2.71Å; E256-R260 PolarHBondContact OE1-NH1 2.86Å; E256-R260 IonicContact OE1-NH2 2.73Å; E256-R260 PolarHBondContact OE1-NH2 2.94Å; K257-R260 PolarHBondContact O-N 3.46Å; R260-H264 PolarHBondContact O-N 3.15Å; R260-H264 VanDerWaalsContact O-N 3.14Å |
| 261 | S | 77.1 | Confident | 70.1 | Confident | 69 Ų | 69 | 139.3 Ų | 139.3 | 48% | 0.483 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.5 | -37.5 | 177.2 | 66 | 0 | 0 | 0 | 0 | 113.1 | K257 L258 R259 H264 S265 | K257-S261 PolarHBondContact O-N 3.17Å; K257-S261 PolarHBondContact O-OG 3.38Å; L258-S261 WeakPolarHBondContact CA-OG 3.38Å; L258-S261 PolarHBondContact O-N 3.48Å; L258-S261 PolarHBondContact O-OG 2.95Å; R259-S261 PolarHBondContact O-N 3.17Å; S261-H264 PolarHBondContact O-N 3.45Å; S261-S265 PolarHBondContact O-N 3.14Å |
| 262 | R | 69 | Low | 68 | Low | 196 Ų | 196 | 147.3 Ų | 147.3 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.6 | -33.9 | 177.9 | -157.3 | 171.2 | -178.5 | 137.4 | -2.2 | 112.4 | L258 R259 H264 S265 | L258-R262 WeakPolarHBondContact O-CB 3.38Å; L258-R262 PolarHBondContact O-N 2.93Å; R259-R262 PolarHBondContact O-N 3.45Å; R262-H264 VanDerWaalsContact C-N 3.32Å; R262-S265 PolarHBondContact O-N 2.82Å |
| 263 | S | 62.9 | Low | 66.1 | Low | 92 Ų | 92 | 143.8 Ų | 143.8 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.5 | -34.8 | 170.5 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | R259 S265 K266 | R259-S263 PolarHBondContact O-N 3.43Å; R259-S263 PolarHBondContact O-OG 3.05Å; S263-S265 VanDerWaalsContact C-N 3.32Å; S263-K266 PolarHBondContact O-N 3.09Å |
| 264 | H | 62.9 | Low | 63.8 | Low | 171 Ų | 171 | 150.7 Ų | 150.7 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -72.8 | -25.1 | 177.6 | -161.8 | 62.6 | 0 | 0 | 0 | 112.9 | R260 S261 R262 | R260-H264 PolarHBondContact O-N 3.15Å; R260-H264 VanDerWaalsContact O-N 3.14Å; S261-H264 PolarHBondContact O-N 3.45Å; R262-H264 VanDerWaalsContact C-N 3.32Å |
| 265 | S | 58.5 | Low | 61.4 | Low | 89 Ų | 89 | 151.4 Ų | 151.4 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -5.2 | 177.3 | -170.6 | 0 | 0 | 0 | 0 | 114.6 | S261 R262 S263 N267 | S261-S265 PolarHBondContact O-N 3.14Å; R262-S265 PolarHBondContact O-N 2.82Å; S263-S265 VanDerWaalsContact C-N 3.32Å; S265-N267 PolarHBondContact O-N 3.45Å |
| 266 | K | 50.9 | Low | 59.3 | Low | 170 Ų | 170 | 151.2 Ų | 151.2 | 74% | 0.739 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -98.4 | 58.7 | 172.5 | -78.3 | -168.2 | 174.2 | -173.6 | 0 | 111.7 | S263 | S263-K266 PolarHBondContact O-N 3.09Š|
| 267 | N | 51.8 | Low | 57 | Low | 151 Ų | 151 | 155.9 Ų | 155.9 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | trans | -173.4 | 74.2 | 140.9 | -107.7 | -48.7 | 0 | 0 | 0 | 112.5 | S265 | S265-N267 PolarHBondContact O-N 3.45Š| ||
| 268 | P | 55.8 | Low | 54.8 | Low | 101 Ų | 101 | 161.5 Ų | 161.5 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | trans | -85.8 | 104.1 | 155.1 | 23.6 | -9 | 0 | 0 | 0 | 107.8 | ||||
| 269 | K | 45.2 | Very low | 52.6 | Low | 200 Ų | 200 | 164.1 Ų | 164.1 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | trans | 167.4 | 87.1 | 150.2 | -90.3 | 159.1 | -166.4 | -171.1 | 0 | 110.2 | ||||
| 270 | R | 43.7 | Very low | 50.8 | Low | 240 Ų | 240 | 166.8 Ų | 166.8 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | -141.3 | 86.3 | 140.5 | -154.2 | 165.2 | -175.8 | 167.3 | 0.4 | 109.2 | R272 | R270-R272 PolarHBondContact O-N 2.91Š| ||
| 271 | S | 43.1 | Very low | 48.9 | Very low | 117 Ų | 117 | 164.4 Ų | 164.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -31.9 | 100.3 | 158.4 | 35.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 272 | R | 44.2 | Very low | 47.3 | Very low | 242 Ų | 242 | 172.8 Ų | 172.8 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -91.7 | 101.4 | 156 | -100.5 | -174 | 171.2 | 107.7 | -2.6 | 107.3 | R270 R274 | R270-R272 PolarHBondContact O-N 2.91Å; R272-R274 PolarHBondContact O-N 2.96Å | ||
| 273 | S | 48.7 | Very low | 45.8 | Very low | 113 Ų | 113 | 168.9 Ų | 168.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -47 | 126.9 | 166.5 | -175 | 0 | 0 | 0 | 0 | 109.9 | E275 | S273-E275 PolarHBondContact O-N 3.22Š| ||
| 274 | R | 38.3 | Very low | 44.7 | Very low | 235 Ų | 235 | 172.5 Ų | 172.5 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -63.1 | 117.2 | 164.4 | -74.3 | 167.5 | 163.2 | 146.8 | -5.8 | 108.5 | R272 | R272-R274 PolarHBondContact O-N 2.96Š| ||
| 275 | E | 38.3 | Very low | 43.7 | Very low | 140 Ų | 140 | 168.8 Ų | 168.8 | 65% | 0.654 | 80% | 0.798 | S | S | * | * | trans | -168.7 | 104.2 | 141.4 | -131.4 | 175.1 | 167.2 | 0 | 0 | 113 | S273 | S273-E275 PolarHBondContact O-N 3.22Š| ||
| 276 | H | 41.7 | Very low | 42.8 | Very low | 166 Ų | 166 | 175.9 Ų | 175.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | 173.2 | 98.3 | 135.1 | -114.5 | 57.8 | 0 | 0 | 0 | 106.8 | ||||
| 277 | R | 37.8 | Very low | 42.1 | Very low | 191 Ų | 191 | 176.3 Ų | 176.3 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | 40.3 | 93.1 | 76.9 | -64.5 | -170.4 | -174.4 | 172.7 | 4.9 | 112.3 | |||||
| 278 | R | 39.6 | Very low | 41.5 | Very low | 239 Ų | 239 | 180.3 Ų | 180.3 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | -159.7 | 121.8 | 127.7 | -113.7 | 173.6 | -175.7 | -173 | 0.9 | 112.9 | |||||
| 279 | H | 37.7 | Very low | 40.6 | Very low | 169 Ų | 169 | 184.5 Ų | 184.5 | 78% | 0.782 | 83% | 0.827 | S | S | * | * | trans | -43.5 | 143.3 | 174.2 | -59.2 | -93.3 | 0 | 0 | 0 | 115.6 | ||||
| 280 | R | 42.8 | Very low | 40.1 | Very low | 249 Ų | 249 | 186.6 Ų | 186.6 | 94% | 0.94 | 83% | 0.83 | S | S | * | * | trans | -143.3 | 101.6 | 138.5 | -120.5 | 174.7 | -174.8 | 144.3 | 0.6 | 109.1 | ||||
| 281 | S | 38.2 | Very low | 39.8 | Very low | 112 Ų | 112 | 186.8 Ų | 186.8 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | -63.1 | 122.1 | 165.8 | 34.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 282 | R | 42.5 | Very low | 39.3 | Very low | 246 Ų | 246 | 187.9 Ų | 187.9 | 93% | 0.928 | 83% | 0.832 | S | S | * | * | trans | -148.4 | 95.1 | 150.8 | -121.8 | 175.6 | -177.9 | 139.1 | 0.6 | 108.2 | ||||
| 283 | S | 38.1 | Very low | 38.9 | Very low | 113 Ų | 113 | 187.5 Ų | 187.5 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | trans | -55.5 | 124.7 | 163.2 | 26.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 284 | M | 40 | Very low | 38.3 | Very low | 169 Ų | 169 | 187.8 Ų | 187.8 | 83% | 0.833 | 83% | 0.833 | S | S | * | * | trans | -153.2 | 102.2 | 149.1 | -116.4 | -74.6 | 106.8 | 0 | 0 | 108.1 | R286 | M284-R286 PolarHBondContact O-N 3.26Š| ||
| 285 | S | 41.2 | Very low | 38.2 | Very low | 93 Ų | 93 | 184.7 Ų | 184.7 | 65% | 0.65 | 83% | 0.826 | S | S | * | * | trans | -53.2 | 120.5 | 170.4 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 286 | R | 39.3 | Very low | 38.2 | Very low | 238 Ų | 238 | 183 Ų | 183 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -142.5 | 86.7 | 149.4 | -78.7 | -161.8 | 175.5 | 148 | -0.4 | 109.8 | M284 R288 | M284-R286 PolarHBondContact O-N 3.26Å; R286-R288 PolarHBondContact O-N 3.4Å | ||
| 287 | E | 36.7 | Very low | 38 | Very low | 178 Ų | 178 | 185 Ų | 185 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -47.9 | 116.2 | 152 | -171.2 | 157.2 | -158.8 | 0 | 0 | 110.7 | ||||
| 288 | R | 39.5 | Very low | 38.2 | Very low | 235 Ų | 235 | 184 Ų | 184 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -160.6 | 104.7 | 151.8 | -113.1 | 172.3 | -164.6 | -148.2 | 4.3 | 112.7 | R286 | R286-R288 PolarHBondContact O-N 3.4Š| ||
| 289 | K | 37.1 | Very low | 38.2 | Very low | 189 Ų | 189 | 182.6 Ų | 182.6 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | trans | 58.7 | 104.2 | 138 | -80.1 | 176.8 | 174.3 | 172.8 | 0 | 118.7 | R291 | K289-R291 PolarHBondContact O-N 2.99Š| ||
| 290 | R | 33.9 | Very low | 38.3 | Very low | 245 Ų | 245 | 185.6 Ų | 185.6 | 93% | 0.925 | 84% | 0.839 | S | S | * | * | trans | -25.4 | 122.6 | 132.5 | -67.5 | 178.9 | 176.4 | -175.7 | -1.3 | 112 | ||||
| 291 | R | 37.6 | Very low | 38.2 | Very low | 243 Ų | 243 | 181.8 Ų | 181.8 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -143.8 | 96 | 147.2 | -109.1 | 178.1 | -179.3 | 171.3 | -0.6 | 108.7 | K289 R293 | K289-R291 PolarHBondContact O-N 2.99Å; R291-R293 PolarHBondContact O-N 2.95Å | ||
| 292 | T | 33 | Very low | 38.3 | Very low | 140 Ų | 140 | 188.3 Ų | 188.3 | 86% | 0.859 | 84% | 0.839 | S | S | * | * | trans | -58.7 | 117.9 | 150.9 | 42.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 293 | R | 35.8 | Very low | 38.3 | Very low | 234 Ų | 234 | 184.6 Ų | 184.6 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -160.1 | 106.5 | 145.4 | -146.8 | 164 | 176.2 | 109.5 | -4.9 | 110.7 | R291 K295 | R291-R293 PolarHBondContact O-N 2.95Å; R293-K295 PolarHBondContact O-N 3.34Å | ||
| 294 | S | 35.8 | Very low | 38.2 | Very low | 120 Ų | 120 | 191.2 Ų | 191.2 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | trans | -39.7 | 123.1 | 153.9 | -28.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 295 | K | 36.7 | Very low | 38.2 | Very low | 169 Ų | 169 | 188.5 Ų | 188.5 | 74% | 0.735 | 84% | 0.837 | S | S | * | * | trans | -148.7 | 98.2 | 153 | -154 | 151.7 | -176.2 | 165 | 0 | 109.3 | R293 | R293-K295 PolarHBondContact O-N 3.34Š| ||
| 296 | S | 37.2 | Very low | 37.8 | Very low | 106 Ų | 106 | 195.5 Ų | 195.5 | 74% | 0.741 | 85% | 0.85 | S | S | * | * | trans | -33.2 | 133.5 | 148.5 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 297 | R | 38.7 | Very low | 37.8 | Very low | 207 Ų | 207 | 189.9 Ų | 189.9 | 78% | 0.781 | 85% | 0.847 | S | S | * | * | trans | -170.8 | 111.3 | 138.7 | -103.3 | 161.6 | -172.3 | -170 | -0.2 | 110.2 | ||||
| 298 | E | 40.4 | Very low | 37.8 | Very low | 170 Ų | 170 | 186.4 Ų | 186.4 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | 35.4 | 111.4 | 143.7 | -72 | 174.8 | 138.8 | 0 | 0 | 118.6 | R300 | E298-R300 PolarHBondContact O-N 2.89Š| ||
| 299 | K | 41.1 | Very low | 37.6 | Very low | 209 Ų | 209 | 180.2 Ų | 180.2 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | trans | -52.1 | 94.9 | 155.3 | -74.5 | 173.6 | 174.4 | 176.3 | 0 | 109.6 | ||||
| 300 | R | 39 | Very low | 37.8 | Very low | 232 Ų | 232 | 182.9 Ų | 182.9 | 88% | 0.875 | 84% | 0.84 | S | S | * | * | trans | -77.2 | 127.3 | 160.5 | -90 | -172.7 | -172.4 | -157 | 0.9 | 109.9 | E298 R302 | E298-R300 PolarHBondContact O-N 2.89Å; R300-R302 PolarHBondContact O-N 3.35Å | ||
| 301 | H | 40.6 | Very low | 37.9 | Very low | 169 Ų | 169 | 176.4 Ų | 176.4 | 78% | 0.782 | 83% | 0.831 | S | S | * | * | trans | -48.3 | 123.1 | 174 | -66 | -91.5 | 0 | 0 | 0 | 111.6 | H303 | H301-H303 PolarHBondContact O-N 3.41Š| ||
| 302 | R | 40.3 | Very low | 38 | Very low | 249 Ų | 249 | 176.4 Ų | 176.4 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | trans | -84.3 | 105.1 | 167.6 | -92.7 | -177.2 | -180 | 148.1 | 0.3 | 108.6 | R300 | R300-R302 PolarHBondContact O-N 3.35Š| ||
| 303 | H | 41.9 | Very low | 38.2 | Very low | 168 Ų | 168 | 175.2 Ų | 175.2 | 78% | 0.778 | 83% | 0.829 | S | S | * | * | trans | -63.6 | 130.7 | 162.3 | -69.5 | -84.2 | 0 | 0 | 0 | 109.5 | H301 S305 | H301-H303 PolarHBondContact O-N 3.41Å; H303-S305 PolarHBondContact O-N 3.08Å | ||
| 304 | R | 36.4 | Very low | 38.6 | Very low | 252 Ų | 252 | 175.9 Ų | 175.9 | 95% | 0.951 | 83% | 0.832 | S | S | * | * | trans | -89.5 | 91 | 178.5 | -126.1 | 179.7 | -175.7 | 132.9 | -3.3 | 107.4 | R306 | R304-R306 PolarHBondContact O-N 3.17Š| ||
| 305 | S | 39.4 | Very low | 38.7 | Very low | 112 Ų | 112 | 175.4 Ų | 175.4 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -90.3 | 101.1 | 168.2 | -42.7 | 0 | 0 | 0 | 0 | 108.5 | H303 | H303-S305 PolarHBondContact O-N 3.08Š| ||
| 306 | R | 34 | Very low | 39 | Very low | 241 Ų | 241 | 175.5 Ų | 175.5 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -51.7 | 129.7 | 154 | -91.6 | 172.3 | 158.6 | 128.4 | -7.3 | 108 | R304 | R304-R306 PolarHBondContact O-N 3.17Š| ||
| 307 | S | 38.1 | Very low | 38.9 | Very low | 120 Ų | 120 | 178.8 Ų | 178.8 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | 176.7 | 143.6 | 136.3 | -78.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 308 | S | 36.8 | Very low | 38.8 | Very low | 104 Ų | 104 | 179.2 Ų | 179.2 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | trans | 81.5 | 88.5 | 153.3 | -147.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 309 | S | 36.1 | Very low | 38.6 | Very low | 105 Ų | 105 | 175.6 Ų | 175.6 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | 14.2 | 118.2 | 122.3 | 44.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 310 | R | 41.1 | Very low | 38.1 | Very low | 246 Ų | 246 | 176.9 Ų | 176.9 | 93% | 0.928 | 83% | 0.829 | S | S | * | * | trans | -160.1 | 116.6 | 134.3 | -127.8 | 167.9 | 180 | 147.2 | -1.6 | 111.9 | ||||
| 311 | S | 35.4 | Very low | 38.1 | Very low | 108 Ų | 108 | 174.4 Ų | 174.4 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | -54.6 | 142.2 | 166.7 | 26.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 312 | R | 41 | Very low | 37.8 | Very low | 243 Ų | 243 | 171.3 Ų | 171.3 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -163.4 | 104.4 | 145.3 | -111 | 169.3 | -173.8 | 149.4 | 0.8 | 110.8 | ||||
| 313 | S | 36.1 | Very low | 37.4 | Very low | 116 Ų | 116 | 163.7 Ų | 163.7 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -54.4 | 133.8 | 164.1 | -2.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 314 | R | 44.5 | Very low | 36.8 | Very low | 247 Ų | 247 | 166.2 Ų | 166.2 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | -145.1 | 98.7 | 153.7 | -101.6 | -176.6 | -178.8 | 133.5 | -0.4 | 109.4 | ||||
| 315 | S | 37.9 | Very low | 36.7 | Very low | 111 Ų | 111 | 158.7 Ų | 158.7 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -62.4 | 129.9 | 161 | 45.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 316 | H | 43.7 | Very low | 36.2 | Very low | 171 Ų | 171 | 162.8 Ų | 162.8 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -138.2 | 104.2 | 153.9 | -146.3 | 63 | 0 | 0 | 0 | 109 | ||||
| 317 | Q | 34 | Very low | 36.1 | Very low | 174 Ų | 174 | 156.3 Ų | 156.3 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -78.9 | 148.3 | 165.8 | -63.7 | -165.3 | 1.3 | 0 | 0 | 109.8 | ||||
| 318 | R | 37.3 | Very low | 35.9 | Very low | 217 Ų | 217 | 162 Ų | 162 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | -174.1 | 97.9 | 146.8 | -101 | 164.1 | -171 | -137.3 | 2.7 | 107.6 | ||||
| 319 | S | 36.1 | Very low | 35.5 | Very low | 93 Ų | 93 | 165.3 Ų | 165.3 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | 61.4 | 103.1 | 101.5 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 320 | R | 29.6 | Very low | 35.4 | Very low | 236 Ų | 236 | 171 Ų | 171 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | 77.2 | 94.7 | 78.6 | -163.1 | -177.1 | -162.1 | -178.4 | 5.3 | 113.4 | |||||
| 321 | H | 40.1 | Very low | 34.9 | Very low | 180 Ų | 180 | 163.6 Ų | 163.6 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | trans | -144 | 108.7 | 151.2 | -58.6 | -66.6 | 0 | 0 | 0 | 105.1 | ||||
| 322 | S | 33.2 | Very low | 34.8 | Very low | 105 Ų | 105 | 166.5 Ų | 166.5 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 51.5 | 127 | 68.4 | -147.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 323 | S | 33 | Very low | 34.2 | Very low | 88 Ų | 88 | 164.3 Ų | 164.3 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | cis | 169.5 | 156.5 | -5.1 | 42.1 | 0 | 0 | 0 | 0 | 104 | ||||
| 324 | R | 29.4 | Very low | 33.9 | Very low | 221 Ų | 221 | 169.1 Ų | 169.1 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | 70.9 | 147.7 | 163.4 | -75.3 | 179 | 143.3 | 131.2 | -0.9 | 116.3 | ||||
| 325 | D | 33.1 | Very low | 33.3 | Very low | 94 Ų | 94 | 162.5 Ų | 162.5 | 50% | 0.503 | 76% | 0.761 | S | S | . | * | cis | -166.1 | 157.4 | 4.7 | -122.7 | -46.7 | 0 | 0 | 0 | 108.4 | ||||
| 326 | R | 29.1 | Very low | 33.1 | Very low | 199 Ų | 199 | 162.1 Ų | 162.1 | 75% | 0.751 | 76% | 0.759 | S | S | * | * | trans | 66.9 | 111 | 139.6 | -73.7 | 158.9 | -169 | -173.2 | -5.3 | 123.2 | ||||
| 327 | S | 32 | Very low | 32.4 | Very low | 105 Ų | 105 | 162.2 Ų | 162.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | 66.2 | 116.6 | 112.1 | -43.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 328 | R | 33.7 | Very low | 32.2 | Very low | 239 Ų | 239 | 160.2 Ų | 160.2 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | 174.2 | 113.7 | 111.4 | -100.5 | 173 | 171 | 145.9 | -3.5 | 111.9 | |||||
| 329 | E | 28.8 | Very low | 31.8 | Very low | 173 Ų | 173 | 158.7 Ų | 158.7 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | 23.2 | 114.1 | 123.3 | -69.5 | -87.5 | 142.2 | 0 | 0 | 117.4 | |||||
| 330 | R | 34.9 | Very low | 31.5 | Very low | 225 Ų | 225 | 161.2 Ų | 161.2 | 85% | 0.849 | 74% | 0.741 | S | S | * | * | -158.7 | 113.8 | 128.2 | -149.2 | 167.2 | -173.4 | 178.5 | 2 | 113.3 | |||||
| 331 | S | 30.3 | Very low | 31.7 | Very low | 90 Ų | 90 | 159.6 Ų | 159.6 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | trans | -46.9 | 148.5 | 162.6 | -23.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 332 | K | 33 | Very low | 31.3 | Very low | 169 Ų | 169 | 158.6 Ų | 158.6 | 74% | 0.735 | 74% | 0.736 | S | S | * | * | trans | 172.2 | 104.3 | 137.1 | -92.8 | 160 | -173.2 | -170.4 | 0 | 108 | ||||
| 333 | R | 29.2 | Very low | 31.3 | Very low | 198 Ų | 198 | 161.4 Ų | 161.4 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | 79 | 119.1 | 87 | -82 | -170.2 | 177.8 | -150 | 0.1 | 113.5 | |||||
| 334 | R | 29.3 | Very low | 31.5 | Very low | 216 Ų | 216 | 164.4 Ų | 164.4 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | trans | 54.8 | 119.9 | 134.1 | -63.3 | -178.3 | 176.4 | 179.1 | -3.2 | 118.6 | ||||
| 335 | S | 32.5 | Very low | 31.6 | Very low | 108 Ų | 108 | 162.2 Ų | 162.2 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | -179.3 | 110.4 | 119.6 | -166.6 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 336 | S | 32.2 | Very low | 31.5 | Very low | 104 Ų | 104 | 162.6 Ų | 162.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 52.5 | 106.2 | 83.6 | -72.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 337 | K | 28.9 | Very low | 31.7 | Very low | 173 Ų | 173 | 158.7 Ų | 158.7 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | 80.6 | 119.7 | 108.7 | -166.4 | 159.6 | 179.6 | 151.9 | 0 | 116.4 | |||||
| 338 | E | 30.6 | Very low | 31.6 | Very low | 132 Ų | 132 | 158.4 Ų | 158.4 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | trans | 75.3 | 146.1 | 155.8 | -52.5 | -99.6 | 149.5 | 0 | 0 | 114.2 | ||||
| 339 | R | 28.7 | Very low | 31.6 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 70% | 0.698 | 76% | 0.759 | S | S | * | * | cis | -175.4 | 157.4 | 32.3 | -136.1 | 154.8 | -162.4 | -149.4 | 5.9 | 109 | ||||
| 340 | F | 30.2 | Very low | 31.6 | Very low | 146 Ų | 146 | 155.5 Ų | 155.5 | 64% | 0.64 | 76% | 0.759 | S | S | * | * | trans | 92.3 | 123 | 142.6 | -78.9 | -57 | 0 | 0 | 0 | 122.9 | ||||
| 341 | R | 34.9 | Very low | 31.4 | Very low | 202 Ų | 202 | 151.3 Ų | 151.3 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 95.5 | 79.1 | 131 | -86 | 165.8 | -175.8 | 170.7 | -0.5 | 116.9 | ||||
| 342 | D | 30.7 | Very low | 31.6 | Very low | 159 Ų | 159 | 159 Ų | 159 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | -43.8 | 121.8 | 119 | -72.4 | -68.1 | 0 | 0 | 0 | 110.9 | |||||
| 343 | Q | 33.7 | Very low | 31.6 | Very low | 163 Ų | 163 | 155.5 Ų | 155.5 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -172.4 | 148.1 | 136.4 | -109 | 165.1 | 6.1 | 0 | 0 | 109.8 | ||||
| 344 | D | 36.5 | Very low | 31.8 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 90.5 | 60.5 | 165.8 | -45.5 | -30.1 | 0 | 0 | 0 | 116.5 | ||||
| 345 | L | 32.1 | Very low | 31.9 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -89.9 | 139.6 | 137.8 | -70.4 | 171.9 | 0 | 0 | 0 | 108.3 | ||||
| 346 | A | 30.4 | Very low | 32.1 | Very low | 103 Ų | 103 | 154.8 Ų | 154.8 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | 84.6 | 81.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 347 | S | 34.1 | Very low | 32.1 | Very low | 117 Ų | 117 | 161.5 Ų | 161.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -179.3 | 135.9 | 133.6 | -134.5 | 0 | 0 | 0 | 0 | 104 | ||||
| 348 | C | 28.8 | Very low | 32.4 | Very low | 98 Ų | 98 | 158.3 Ų | 158.3 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | cis | -176.3 | 154.2 | 32.3 | 36.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 349 | D | 33.6 | Very low | 33.2 | Very low | 136 Ų | 136 | 158 Ų | 158 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 71.7 | 113.6 | 150.7 | -66.9 | -54.9 | 0 | 0 | 0 | 120.5 | ||||
| 350 | R | 28.5 | Very low | 33.5 | Very low | 216 Ų | 216 | 160.2 Ų | 160.2 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | 60.1 | 124.1 | 70.7 | -103.5 | 179 | -178.5 | 167 | -0.7 | 112.9 | |||||
| 351 | D | 32.3 | Very low | 33.7 | Very low | 137 Ų | 137 | 161.5 Ų | 161.5 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | 66.8 | 91.9 | 155.8 | -56.6 | -43.1 | 0 | 0 | 0 | 118.1 | ||||
| 352 | R | 33.5 | Very low | 33.7 | Very low | 250 Ų | 250 | 163.3 Ų | 163.3 | 94% | 0.943 | 82% | 0.822 | S | S | * | * | trans | -133.9 | 90.4 | 137.5 | -100.2 | 178.9 | -169.6 | 169.6 | 4 | 111.1 | ||||
| 353 | S | 32.9 | Very low | 33.9 | Very low | 97 Ų | 97 | 162.9 Ų | 162.9 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -38.6 | 134.5 | 149.4 | 42.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 354 | S | 33.4 | Very low | 33.9 | Very low | 109 Ų | 109 | 166.8 Ų | 166.8 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | 19.1 | 101.1 | 140.9 | 52.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 355 | R | 31.5 | Very low | 33.8 | Very low | 237 Ų | 237 | 169.4 Ų | 169.4 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | trans | 177.5 | 104.6 | 140.3 | -105.1 | 165.6 | 177.8 | -179.4 | -0.4 | 109.8 | ||||
| 356 | D | 36.9 | Very low | 33.8 | Very low | 161 Ų | 161 | 169.3 Ų | 169.3 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -170.4 | 69 | 136.4 | -96.2 | -34.5 | 0 | 0 | 0 | 109.1 | S358 | D356-S358 PolarHBondContact O-N 3.04Š| ||
| 357 | R | 31.7 | Very low | 33.9 | Very low | 245 Ų | 245 | 173.7 Ų | 173.7 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | trans | -77.7 | 97.1 | 154.5 | -83.9 | -176 | 176.9 | -175.8 | -0.4 | 106.3 | P359 | R357-P359 WeakPolarHBondContact O-CD 3.47Š| ||
| 358 | S | 36.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 178 Ų | 178 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | trans | -59.3 | 121.7 | 170.8 | -85.9 | 0 | 0 | 0 | 0 | 110 | D356 R360 | D356-S358 PolarHBondContact O-N 3.04Å; S358-R360 PolarHBondContact O-N 3.1Å; S358-R360 VanDerWaalsContact O-N 3.15Å | ||
| 359 | P | 47.1 | Very low | 33.8 | Very low | 127 Ų | 127 | 184.6 Ų | 184.6 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -78.8 | 97.4 | 178.8 | -5.7 | 22.5 | 0 | 0 | 0 | 109.4 | R357 | R357-P359 WeakPolarHBondContact O-CD 3.47Š|
| 360 | R | 33.8 | Very low | 33.5 | Very low | 231 Ų | 231 | 182.8 Ų | 182.8 | 87% | 0.872 | 85% | 0.845 | S | S | * | * | trans | -153.2 | 5.6 | 166.5 | -116.9 | 170.4 | -166.1 | -141.1 | 1.8 | 118 | S358 | S358-R360 PolarHBondContact O-N 3.1Å; S358-R360 VanDerWaalsContact O-N 3.15Å | ||
| 361 | D | 35.6 | Very low | 33.6 | Very low | 173 Ų | 173 | 182.2 Ų | 182.2 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | trans | -116.2 | 44.8 | 172.5 | -78.5 | -52.4 | 0 | 0 | 0 | 112.1 | ||||
| 362 | R | 35.2 | Very low | 33.4 | Very low | 239 Ų | 239 | 184 Ų | 184 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | trans | -107.1 | 11.3 | 172.8 | -125.5 | -177.6 | -169 | 178.4 | 1.9 | 114.9 | ||||
| 363 | D | 35.1 | Very low | 33.4 | Very low | 150 Ų | 150 | 176.7 Ų | 176.7 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -136.2 | 84.3 | 177.2 | -76.4 | -58.9 | 0 | 0 | 0 | 111.2 | ||
| 364 | R | 32.7 | Very low | 33.4 | Very low | 246 Ų | 246 | 176.6 Ų | 176.6 | 93% | 0.928 | 84% | 0.841 | S | S | * | * | S | Bend | trans | 165 | 82.5 | 148.2 | -94.7 | 166.8 | 176.2 | -172.6 | -0.1 | 111.2 | ||
| 365 | K | 34.4 | Very low | 33.5 | Very low | 207 Ų | 207 | 179.4 Ų | 179.4 | 90% | 0.9 | 85% | 0.847 | S | S | * | * | trans | 180 | 37.4 | 133.3 | -106.4 | 178.6 | 175.6 | 179.3 | 0 | 115.1 | K367 | K365-K367 VanDerWaalsContact C-N 3.29Å; K365-K367 PolarHBondContact O-N 3.01Å; K365-K367 VanDerWaalsContact O-N 3.07Å | ||
| 366 | D | 33.1 | Very low | 33.2 | Very low | 172 Ų | 172 | 171.6 Ų | 171.6 | 92% | 0.92 | 84% | 0.841 | S | S | * | * | trans | -79.4 | 85 | 156.2 | -75 | -44.3 | 0 | 0 | 0 | 109.3 | ||||
| 367 | K | 31.2 | Very low | 32.7 | Very low | 195 Ų | 195 | 175.3 Ų | 175.3 | 85% | 0.848 | 84% | 0.843 | S | S | * | * | trans | -162.9 | 88.8 | 164.5 | -113.4 | 173.6 | -173.9 | 177.6 | 0 | 109.5 | K365 | K365-K367 VanDerWaalsContact C-N 3.29Å; K365-K367 PolarHBondContact O-N 3.01Å; K365-K367 VanDerWaalsContact O-N 3.07Å | ||
| 368 | K | 32.5 | Very low | 32.8 | Very low | 208 Ų | 208 | 169 Ų | 169 | 90% | 0.904 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -178.8 | 87.8 | 146.2 | -97.8 | 168.1 | -173.2 | -164.2 | 0 | 107 | ||
| 369 | R | 28.3 | Very low | 32.6 | Very low | 235 Ų | 235 | 172.9 Ų | 172.9 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | 75.5 | 88.7 | 105 | -106.8 | -176.6 | 178.9 | -165.2 | -1.4 | 112 | Y371 | R369-Y371 PolarHBondContact O-N 2.94Š| |||
| 370 | S | 27.1 | Very low | 31.8 | Very low | 98 Ų | 98 | 173.8 Ų | 173.8 | 69% | 0.685 | 84% | 0.84 | S | S | * | * | trans | -50.9 | 125.7 | 147.8 | 144.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 371 | Y | 30.4 | Very low | 31.7 | Very low | 204 Ų | 204 | 174.4 Ų | 174.4 | 80% | 0.8 | 84% | 0.843 | S | S | * | * | trans | -116.2 | 96.8 | 150.6 | 65.8 | -79.7 | 0 | 0 | 0 | 105 | R369 S373 | R369-Y371 PolarHBondContact O-N 2.94Å; Y371-S373 PolarHBondContact O-N 3.01Å | ||
| 372 | E | 28.3 | Very low | 31.3 | Very low | 176 Ų | 176 | 177 Ų | 177 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | trans | -61.3 | 124.8 | 150.4 | -75.7 | 172.9 | 102 | 0 | 0 | 106.8 | ||||
| 373 | S | 34.8 | Very low | 31.2 | Very low | 96 Ų | 96 | 171 Ų | 171 | 67% | 0.671 | 83% | 0.834 | S | S | * | * | trans | -130 | 93.7 | 158.7 | -72.7 | 0 | 0 | 0 | 0 | 106.2 | Y371 N375 | Y371-S373 PolarHBondContact O-N 3.01Å; S373-N375 PolarHBondContact O-N 3.37Å; S373-N375 VanDerWaalsContact O-N 3.11Å | ||
| 374 | A | 32.5 | Very low | 31 | Very low | 95 Ų | 95 | 168.5 Ų | 168.5 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -48.8 | 109 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 375 | N | 35.9 | Very low | 31 | Very low | 167 Ų | 167 | 164.8 Ų | 164.8 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -136.5 | 64.2 | 155 | -95.5 | -6.7 | 0 | 0 | 0 | 107.3 | S373 | S373-N375 PolarHBondContact O-N 3.37Å; S373-N375 VanDerWaalsContact O-N 3.11Å | ||
| 376 | G | 24.6 | Very low | 30.9 | Very low | 74 Ų | 74 | 161.6 Ų | 161.6 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | -98.2 | 106.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 377 | R | 27.1 | Very low | 31 | Very low | 239 Ų | 239 | 163.2 Ų | 163.2 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -174.1 | 110.3 | 154.1 | -112.3 | 179.9 | -176.6 | -144.7 | -1.1 | 111.1 | ||||
| 378 | S | 33.9 | Very low | 31.3 | Very low | 111 Ų | 111 | 163.3 Ų | 163.3 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 149.7 | 75.9 | 146.2 | 57.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 379 | E | 31.3 | Very low | 31.9 | Very low | 188 Ų | 188 | 158.3 Ų | 158.3 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | 73.8 | 125.5 | 91.4 | -77.8 | -163.8 | 146.9 | 0 | 0 | 113.6 | |||||
| 380 | D | 30 | Very low | 32.2 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -42.4 | 131.6 | 173.9 | -60.9 | -81.9 | 0 | 0 | 0 | 114.4 | ||||
| 381 | R | 31 | Very low | 32.6 | Very low | 244 Ų | 244 | 154.5 Ų | 154.5 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -129.4 | 84.5 | 145.6 | -75.9 | -169.7 | 176.7 | -172.5 | -1.4 | 108.7 | S383 | R381-S383 PolarHBondContact O-N 3.47Š| ||
| 382 | R | 28.6 | Very low | 33.6 | Very low | 226 Ų | 226 | 156.5 Ų | 156.5 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -62.3 | 114.9 | 147.9 | -76.5 | -179.7 | 173.5 | -158.4 | -2.8 | 106.9 | ||||
| 383 | S | 33.3 | Very low | 33.9 | Very low | 115 Ų | 115 | 155.6 Ų | 155.6 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -121.7 | 84.6 | 159.8 | -164.2 | 0 | 0 | 0 | 0 | 106.3 | R381 | R381-S383 PolarHBondContact O-N 3.47Š| ||
| 384 | S | 29.2 | Very low | 33.9 | Very low | 96 Ų | 96 | 158.7 Ų | 158.7 | 67% | 0.671 | 83% | 0.833 | S | S | * | * | trans | -114.6 | 97.4 | 163.6 | 49.1 | 0 | 0 | 0 | 0 | 105 | ||||
| 385 | E | 33 | Very low | 33.9 | Very low | 169 Ų | 169 | 162.2 Ų | 162.2 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | trans | 162.3 | 130.2 | 176.6 | -97.5 | 163.8 | -164 | 0 | 0 | 102.9 | ||||
| 386 | E | 32.3 | Very low | 33.8 | Very low | 140 Ų | 140 | 161.9 Ų | 161.9 | 65% | 0.654 | 83% | 0.832 | S | S | * | * | cis | -178.2 | 166.7 | 13 | -141.4 | -174.2 | -162.7 | 0 | 0 | 105.7 | ||||
| 387 | R | 36.6 | Very low | 34.4 | Very low | 206 Ų | 206 | 167.4 Ų | 167.4 | 78% | 0.777 | 84% | 0.836 | S | S | * | * | trans | 91 | 84.2 | 157.4 | -61.2 | 155.9 | -167.2 | -142.9 | -0.5 | 118.8 | ||||
| 388 | E | 36 | Very low | 34.9 | Very low | 196 Ų | 196 | 162.7 Ų | 162.7 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | 18.2 | 103.8 | 97.8 | -154.1 | 171.9 | -146.6 | 0 | 0 | 114.9 | |||||
| 389 | A | 45.2 | Very low | 34.9 | Very low | 103 Ų | 103 | 166.4 Ų | 166.4 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | trans | -119.9 | 95.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 390 | G | 35.6 | Very low | 35.2 | Very low | 63 Ų | 63 | 164.7 Ų | 164.7 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | trans | -74.8 | 154 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 391 | E | 35.6 | Very low | 35.7 | Very low | 190 Ų | 190 | 166.3 Ų | 166.3 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | trans | 40 | 118.2 | 142.4 | -64.1 | -178.1 | 160.9 | 0 | 0 | 120.3 | ||||
| 392 | I | 51.7 | Low | 36.1 | Very low | 247 Ų | 247 | 159.2 Ų | 159.2 | 100% | 1.267 | 83% | 0.829 | S | S | * | * | -127.8 | 0 | 114.9 | -61.5 | 179.7 | 0 | 0 | 0 | 107.8 |
Retrieved 392 of 392 residues in 1164.1 ms
(Link to these results)