| 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 | 52.2 | Low | 52.4 | Low | 198 Ų | 198 | 118.3 Ų | 118.3 | 98% | 0.975 | 64% | 0.64 | S | S | * | * | 0 | -30 | 0 | -147.5 | -175.5 | -94.9 | 0 | 0 | 112 | |||||
| 2 | E | 52.5 | Low | 54.1 | Low | 163 Ų | 163 | 116.6 Ų | 116.6 | 76% | 0.762 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67 | -36.8 | 176.1 | -71 | 176.9 | 147 | 0 | 0 | 114.5 | L4 K5 V6 | E2-L4 VanDerWaalsContact C-N 3.26Å; E2-L4 PolarHBondContact O-N 3.14Å; E2-K5 PolarHBondContact O-N 3.37Å; E2-K5 VanDerWaalsContact O-N 3.1Å; E2-V6 PolarHBondContact O-N 3.41Å |
| 3 | T | 50.5 | Low | 56 | Low | 121 Ų | 121 | 114.4 Ų | 114.4 | 74% | 0.742 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.5 | -31.1 | 178.1 | -9.3 | 0 | 0 | 0 | 0 | 113.1 | F7 | T3-F7 WeakPolarHBondContact O-CB 3.44Å; T3-F7 PolarHBondContact O-N 2.99Å; T3-F7 VanDerWaalsContact O-N 3.12Å |
| 4 | L | 49.5 | Very low | 57.8 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 64% | 0.639 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75 | -33.8 | 174.7 | -103.5 | 133.5 | 0 | 0 | 0 | 112.3 | E2 F7 L8 | E2-L4 VanDerWaalsContact C-N 3.26Å; E2-L4 PolarHBondContact O-N 3.14Å; L4-F7 PolarHBondContact O-N 3.14Å; L4-L8 WeakPolarHBondContact O-CB 3.32Å; L4-L8 VanDerWaalsContact O-CG 3.23Å; L4-L8 WeakPolarHBondContact O-CG 3.34Å; L4-L8 PolarHBondContact O-N 3.12Å |
| 5 | K | 49.3 | Very low | 59.8 | Low | 161 Ų | 161 | 115.3 Ų | 115.3 | 70% | 0.7 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.7 | -38.2 | 173.7 | -80 | -176 | 176.4 | 178.4 | 0 | 112.3 | E2 G9 | E2-K5 PolarHBondContact O-N 3.37Å; E2-K5 VanDerWaalsContact O-N 3.1Å; K5-G9 PolarHBondContact O-N 2.98Å |
| 6 | V | 54 | Low | 61.7 | Low | 96 Ų | 96 | 112.4 Ų | 112.4 | 58% | 0.582 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64 | -44.7 | 173 | 176 | 0 | 0 | 0 | 0 | 110.4 | E2 G9 T10 | E2-V6 PolarHBondContact O-N 3.41Å; V6-G9 PolarHBondContact O-N 3.32Å; V6-T10 HydrophobicContact CG1-CG2 4.46Å; V6-T10 VanDerWaalsContact O-CG2 3.24Å; V6-T10 WeakPolarHBondContact O-CG2 3.44Å; V6-T10 PolarHBondContact O-N 3.02Å; V6-T10 PolarHBondContact O-OG1 3.05Å |
| 7 | F | 47.6 | Very low | 63.5 | Low | 164 Ų | 164 | 111.2 Ų | 111.2 | 72% | 0.719 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.1 | -43.2 | 178.8 | -158.3 | -97.7 | 0 | 0 | 0 | 112.6 | T3 L4 T10 G11 | T3-F7 WeakPolarHBondContact O-CB 3.44Å; T3-F7 PolarHBondContact O-N 2.99Å; T3-F7 VanDerWaalsContact O-N 3.12Å; L4-F7 PolarHBondContact O-N 3.14Å; F7-T10 WeakPolarHBondContact CA-OG1 3.34Å; F7-T10 PolarHBondContact O-N 3.34Å; F7-T10 PolarHBondContact O-OG1 3.42Å; F7-G11 PolarHBondContact O-N 3.01Å; F7-G11 VanDerWaalsContact O-N 3.15Å |
| 8 | L | 51.4 | Low | 65.2 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.9 | -39.1 | 175.6 | -71.1 | 169 | 0 | 0 | 0 | 112.7 | L4 G11 D12 | L4-L8 WeakPolarHBondContact O-CB 3.32Å; L4-L8 VanDerWaalsContact O-CG 3.23Å; L4-L8 WeakPolarHBondContact O-CG 3.34Å; L4-L8 PolarHBondContact O-N 3.12Å; L8-G11 PolarHBondContact O-N 2.99Å; L8-D12 PolarHBondContact O-N 3.36Å |
| 9 | G | 55 | Low | 66.8 | Low | 41 Ų | 41 | 112.8 Ų | 112.8 | 42% | 0.423 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.5 | -34.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K5 V6 V13 | K5-G9 PolarHBondContact O-N 2.98Å; V6-G9 PolarHBondContact O-N 3.32Å; G9-V13 WeakPolarHBondContact O-CG2 3.37Å; G9-V13 PolarHBondContact O-N 3.23Å |
| 10 | T | 54 | Low | 68.2 | Low | 73 Ų | 73 | 111.8 Ų | 111.8 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.2 | -25 | 175.1 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | V6 F7 R14 | V6-T10 HydrophobicContact CG1-CG2 4.46Å; V6-T10 VanDerWaalsContact O-CG2 3.24Å; V6-T10 WeakPolarHBondContact O-CG2 3.44Å; V6-T10 PolarHBondContact O-N 3.02Å; V6-T10 PolarHBondContact O-OG1 3.05Å; F7-T10 WeakPolarHBondContact CA-OG1 3.34Å; F7-T10 PolarHBondContact O-N 3.34Å; F7-T10 PolarHBondContact O-OG1 3.42Å; T10-R14 WeakPolarHBondContact O-CB 3.48Å; T10-R14 PolarHBondContact O-N 3.34Å; T10-R14 VanDerWaalsContact O-N 3.13Å |
| 11 | G | 60.7 | Low | 69.5 | Low | 40 Ų | 40 | 111.3 Ų | 111.3 | 41% | 0.412 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.4 | -37.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | F7 L8 N15 | F7-G11 PolarHBondContact O-N 3.01Å; F7-G11 VanDerWaalsContact O-N 3.15Å; L8-G11 PolarHBondContact O-N 2.99Å; G11-N15 PolarHBondContact O-N 2.95Å; G11-N15 VanDerWaalsContact O-N 3.13Å |
| 12 | D | 71.8 | Confident | 71.7 | Confident | 98 Ų | 98 | 106.4 Ų | 106.4 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69 | -47.2 | 177.7 | -162.4 | 25.9 | 0 | 0 | 0 | 111.6 | L8 R14 N15 D16 | L8-D12 PolarHBondContact O-N 3.36Å; D12-R14 VanDerWaalsContact C-N 3.31Å; D12-R14 PolarHBondContact O-N 3.46Å; D12-N15 WeakPolarHBondContact O-CB 3.31Å; D12-N15 PolarHBondContact O-N 2.88Å; D12-N15 VanDerWaalsContact O-N 3.15Å; D12-D16 PolarHBondContact O-N 3.23Å |
| 13 | V | 79 | Confident | 73.8 | Confident | 88 Ų | 88 | 104.3 Ų | 104.3 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | G9 D16 I17 | G9-V13 WeakPolarHBondContact O-CG2 3.37Å; G9-V13 PolarHBondContact O-N 3.23Å; V13-D16 PolarHBondContact O-N 3.46Å; V13-I17 HydrophobicContact CG1-CD1 3.91Å; V13-I17 VanDerWaalsContact O-CG1 3.24Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 3.25Å |
| 14 | R | 81.7 | Confident | 76.1 | Confident | 162 Ų | 162 | 104.1 Ų | 104.1 | 61% | 0.611 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 177.6 | -176.6 | -175.3 | -64.6 | -146.9 | 1.4 | 111.6 | T10 D12 D16 I17 Y18 | T10-R14 WeakPolarHBondContact O-CB 3.48Å; T10-R14 PolarHBondContact O-N 3.34Å; T10-R14 VanDerWaalsContact O-N 3.13Å; D12-R14 VanDerWaalsContact C-N 3.31Å; D12-R14 PolarHBondContact O-N 3.46Å; R14-D16 VanDerWaalsContact C-N 3.33Å; R14-I17 PolarHBondContact O-N 3.44Å; R14-Y18 HydrophobicContact CG-CD2 3.85Å; R14-Y18 HydrophobicContact CG-CE2 3.57Å; R14-Y18 WeakPolarHBondContact O-CD2 3.42Å; R14-Y18 PolarHBondContact O-N 3Å |
| 15 | N | 87.8 | Confident | 78.4 | Confident | 81 Ų | 81 | 103.4 Ų | 103.4 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 178.5 | -171.4 | 32.2 | 0 | 0 | 0 | 111.4 | G11 D12 Y18 K19 | G11-N15 PolarHBondContact O-N 2.95Å; G11-N15 VanDerWaalsContact O-N 3.13Å; D12-N15 WeakPolarHBondContact O-CB 3.31Å; D12-N15 PolarHBondContact O-N 2.88Å; D12-N15 VanDerWaalsContact O-N 3.15Å; N15-Y18 PolarHBondContact O-N 3.2Å; N15-K19 WeakPolarHBondContact ND2-CE 3.31Å; N15-K19 PolarHBondContact ND2-NZ 2.97Å; N15-K19 WeakPolarHBondContact O-CG 3.46Å; N15-K19 PolarHBondContact O-N 3.39Å |
| 16 | D | 90 | Very high | 80.7 | Confident | 69 Ų | 69 | 100.2 Ų | 100.2 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.5 | -34.3 | 178.1 | -73.3 | -12.6 | 0 | 0 | 0 | 113.1 | D12 V13 R14 K19 T20 | D12-D16 PolarHBondContact O-N 3.23Å; V13-D16 PolarHBondContact O-N 3.46Å; R14-D16 VanDerWaalsContact C-N 3.33Å; D16-K19 PolarHBondContact O-N 2.88Å; D16-K19 IonicContact OD1-NZ 2.97Å; D16-K19 PolarHBondContact OD1-NZ 3.45Å; D16-T20 VanDerWaalsContact O-CB 3.31Å; D16-T20 WeakPolarHBondContact O-CB 3.48Å; D16-T20 PolarHBondContact O-N 3Å; D16-T20 PolarHBondContact O-OG1 3.43Å |
| 17 | I | 92.1 | Very high | 82.8 | Confident | 92 Ų | 92 | 103.5 Ų | 103.5 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 168.8 | -70.1 | 164.8 | 0 | 0 | 0 | 110.2 | V13 R14 K19 T20 L21 | V13-I17 HydrophobicContact CG1-CD1 3.91Å; V13-I17 VanDerWaalsContact O-CG1 3.24Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 3.25Å; R14-I17 PolarHBondContact O-N 3.44Å; I17-K19 PolarHBondContact O-N 2.95Å; I17-T20 PolarHBondContact O-N 3.08Å; I17-L21 HydrophobicContact CG2-CD1 3.82Å; I17-L21 HydrophobicContact CG2-CG 4.29Å; I17-L21 WeakPolarHBondContact O-CB 3.5Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 3.49Å |
| 18 | Y | 95 | Very high | 85.2 | Confident | 153 Ų | 153 | 99.3 Ų | 99.3 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 178.7 | -82.5 | -65.8 | 0 | 0 | 0 | 112.7 | R14 N15 L21 H22 | R14-Y18 HydrophobicContact CG-CD2 3.85Å; R14-Y18 HydrophobicContact CG-CE2 3.57Å; R14-Y18 WeakPolarHBondContact O-CD2 3.42Å; R14-Y18 PolarHBondContact O-N 3Å; N15-Y18 PolarHBondContact O-N 3.2Å; Y18-L21 PolarHBondContact O-N 3.37Å; Y18-H22 WeakPolarHBondContact O-CB 3.36Å; Y18-H22 PolarHBondContact O-N 2.86Å |
| 19 | K | 94.4 | Very high | 87.5 | Confident | 99 Ų | 99 | 97.6 Ų | 97.6 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 174.9 | -69.7 | 173.4 | -161.6 | 153.7 | 0 | 111.1 | N15 D16 I17 L21 H22 I23 | N15-K19 WeakPolarHBondContact ND2-CE 3.31Å; N15-K19 PolarHBondContact ND2-NZ 2.97Å; N15-K19 WeakPolarHBondContact O-CG 3.46Å; N15-K19 PolarHBondContact O-N 3.39Å; D16-K19 PolarHBondContact O-N 2.88Å; D16-K19 IonicContact OD1-NZ 2.97Å; D16-K19 PolarHBondContact OD1-NZ 3.45Å; I17-K19 PolarHBondContact O-N 2.95Å; K19-L21 PolarHBondContact O-N 3.45Å; K19-H22 WeakPolarHBondContact O-CB 3.29Å; K19-H22 PolarHBondContact O-N 3.45Å; K19-I23 VanDerWaalsContact O-CG1 3.32Å; K19-I23 WeakPolarHBondContact O-CG1 3.37Å; K19-I23 PolarHBondContact O-N 3.3Å |
| 20 | T | 95.6 | Very high | 89.5 | Confident | 92 Ų | 92 | 99.5 Ų | 99.5 | 56% | 0.564 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.6 | -45.8 | 179.6 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | D16 I17 H22 I23 K24 | D16-T20 VanDerWaalsContact O-CB 3.31Å; D16-T20 WeakPolarHBondContact O-CB 3.48Å; D16-T20 PolarHBondContact O-N 3Å; D16-T20 PolarHBondContact O-OG1 3.43Å; I17-T20 PolarHBondContact O-N 3.08Å; T20-H22 VanDerWaalsContact C-N 3.33Å; T20-H22 PolarHBondContact O-N 3.42Å; T20-I23 PolarHBondContact O-N 2.97Å; T20-K24 WeakPolarHBondContact O-CB 3.41Å; T20-K24 PolarHBondContact O-N 3.5Å |
| 21 | L | 96.3 | Very high | 91.6 | Very high | 103 Ų | 103 | 102.6 Ų | 102.6 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 175.7 | -72.1 | 174.5 | 0 | 0 | 0 | 111.9 | I17 Y18 K19 K24 R25 | I17-L21 HydrophobicContact CG2-CD1 3.82Å; I17-L21 HydrophobicContact CG2-CG 4.29Å; I17-L21 WeakPolarHBondContact O-CB 3.5Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 3.49Å; Y18-L21 PolarHBondContact O-N 3.37Å; K19-L21 PolarHBondContact O-N 3.45Å; L21-K24 PolarHBondContact O-N 3.32Å; L21-R25 WeakPolarHBondContact O-CB 3.33Å; L21-R25 PolarHBondContact O-N 3.36Å |
| 22 | H | 96.6 | Very high | 93.4 | Very high | 95 Ų | 95 | 104.1 Ų | 104.1 | 44% | 0.44 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.9 | -172 | 103.8 | 0 | 0 | 0 | 111.7 | Y18 K19 T20 R25 K26 | Y18-H22 WeakPolarHBondContact O-CB 3.36Å; Y18-H22 PolarHBondContact O-N 2.86Å; K19-H22 WeakPolarHBondContact O-CB 3.29Å; K19-H22 PolarHBondContact O-N 3.45Å; T20-H22 VanDerWaalsContact C-N 3.33Å; T20-H22 PolarHBondContact O-N 3.42Å; H22-R25 PolarHBondContact CE1-NH2 2.92Å; H22-R25 PolarHBondContact ND1-NH2 3.49Å; H22-R25 PolarHBondContact O-N 3.31Å; H22-K26 WeakPolarHBondContact O-CG 3.38Å; H22-K26 PolarHBondContact O-N 3.32Å |
| 23 | I | 97.5 | Very high | 94.7 | Very high | 118 Ų | 118 | 106.3 Ų | 106.3 | 61% | 0.605 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.7 | -48.1 | 176.9 | -68.2 | 164.9 | 0 | 0 | 0 | 110.1 | K19 T20 R25 K26 W27 | K19-I23 VanDerWaalsContact O-CG1 3.32Å; K19-I23 WeakPolarHBondContact O-CG1 3.37Å; K19-I23 PolarHBondContact O-N 3.3Å; T20-I23 PolarHBondContact O-N 2.97Å; I23-R25 VanDerWaalsContact C-N 3.31Å; I23-R25 PolarHBondContact O-N 3.45Å; I23-K26 PolarHBondContact O-N 2.98Å; I23-W27 WeakPolarHBondContact O-CB 3.39Å; I23-W27 PolarHBondContact O-N 2.97Å |
| 24 | K | 97.8 | Very high | 95.6 | Very high | 118 Ų | 118 | 106.4 Ų | 106.4 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 178.3 | -172.3 | 176.2 | -173.2 | -73.5 | 0 | 111.6 | T20 L21 W27 M28 | T20-K24 WeakPolarHBondContact O-CB 3.41Å; T20-K24 PolarHBondContact O-N 3.5Å; L21-K24 PolarHBondContact O-N 3.32Å; K24-W27 PolarHBondContact O-N 3.16Å; K24-M28 HydrophobicContact CG-CE 4.15Å; K24-M28 HydrophobicContact CG-SD 4.37Å; K24-M28 PolarHBondContact NZ-SD 2.96Å; K24-M28 VanDerWaalsContact NZ-SD 3.45Å; K24-M28 VanDerWaalsContact O-CG 3.3Å; K24-M28 WeakPolarHBondContact O-CG 3.33Å; K24-M28 PolarHBondContact O-N 3.17Å |
| 25 | R | 98.1 | Very high | 96.4 | Very high | 106 Ų | 106 | 101 Ų | 101 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 176 | 178.3 | 177.6 | 57.7 | 100.6 | -6.5 | 111.6 | L21 H22 I23 W27 M28 E29 | L21-R25 WeakPolarHBondContact O-CB 3.33Å; L21-R25 PolarHBondContact O-N 3.36Å; H22-R25 PolarHBondContact CE1-NH2 2.92Å; H22-R25 PolarHBondContact ND1-NH2 3.49Å; H22-R25 PolarHBondContact O-N 3.31Å; I23-R25 VanDerWaalsContact C-N 3.31Å; I23-R25 PolarHBondContact O-N 3.45Å; R25-W27 VanDerWaalsContact C-N 3.3Å; R25-W27 PolarHBondContact O-N 2.96Å; R25-M28 PolarHBondContact O-N 3.32Å; R25-E29 HydrophobicContact CG-CG 4.31Å; R25-E29 VanDerWaalsContact CG-OE1 3.28Å; R25-E29 WeakPolarHBondContact CG-OE1 3.45Å; R25-E29 IonicContact CZ-OE1 3.87Å; R25-E29 IonicContact NH1-OE1 2.89Å; R25-E29 PolarHBondContact NH1-OE1 3.11Å; R25-E29 WeakPolarHBondContact O-CB 3.46Å; R25-E29 WeakPolarHBondContact O-CG 3.4Å; R25-E29 PolarHBondContact O-N 3.29Å |
| 26 | K | 98.4 | Very high | 96.9 | Very high | 95 Ų | 95 | 103.4 Ų | 103.4 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 178.9 | -76.6 | -73.7 | 163.2 | -150.7 | 0 | 112.6 | H22 I23 E29 T30 | H22-K26 WeakPolarHBondContact O-CG 3.38Å; H22-K26 PolarHBondContact O-N 3.32Å; I23-K26 PolarHBondContact O-N 2.98Å; K26-E29 IonicContact NZ-OE2 3.52Å; K26-E29 PolarHBondContact NZ-OE2 3.28Å; K26-T30 WeakPolarHBondContact O-CB 3.26Å; K26-T30 PolarHBondContact O-N 3.05Å; K26-T30 PolarHBondContact O-OG1 3.4Å |
| 27 | W | 98.3 | Very high | 97.3 | Very high | 165 Ų | 165 | 105.1 Ų | 105.1 | 63% | 0.625 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 174.4 | -179 | 87.8 | 0 | 0 | 0 | 111.6 | I23 K24 R25 T30 Y31 | I23-W27 WeakPolarHBondContact O-CB 3.39Å; I23-W27 PolarHBondContact O-N 2.97Å; K24-W27 PolarHBondContact O-N 3.16Å; R25-W27 VanDerWaalsContact C-N 3.3Å; R25-W27 PolarHBondContact O-N 2.96Å; W27-T30 PolarHBondContact O-N 3.21Å; W27-Y31 HydrophobicContact CH2-CD2 4.45Å; W27-Y31 HydrophobicContact CH2-CG 4.4Å; W27-Y31 HydrophobicContact CZ2-CD2 4.46Å; W27-Y31 WeakPolarHBondContact O-CB 3.1Å; W27-Y31 PolarHBondContact O-N 2.88Å |
| 28 | M | 98.4 | Very high | 97.5 | Very high | 75 Ų | 75 | 102.5 Ų | 102.5 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 177.2 | -70.2 | -176.9 | -54.3 | 0 | 0 | 112.3 | K24 R25 T30 Y31 V32 | K24-M28 HydrophobicContact CG-CE 4.15Å; K24-M28 HydrophobicContact CG-SD 4.37Å; K24-M28 PolarHBondContact NZ-SD 2.96Å; K24-M28 VanDerWaalsContact NZ-SD 3.45Å; K24-M28 VanDerWaalsContact O-CG 3.3Å; K24-M28 WeakPolarHBondContact O-CG 3.33Å; K24-M28 PolarHBondContact O-N 3.17Å; R25-M28 PolarHBondContact O-N 3.32Å; M28-T30 VanDerWaalsContact C-N 3.29Å; M28-T30 PolarHBondContact O-N 3.03Å; M28-Y31 PolarHBondContact O-N 3.48Å; M28-V32 WeakPolarHBondContact O-CB 3.26Å; M28-V32 VanDerWaalsContact O-CG2 3.31Å; M28-V32 WeakPolarHBondContact O-CG2 3.5Å; M28-V32 PolarHBondContact O-N 3.36Å |
| 29 | E | 98.4 | Very high | 97.7 | Very high | 86 Ų | 86 | 98.7 Ų | 98.7 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.2 | -46 | 175.3 | -75.3 | 170.8 | -170.4 | 0 | 0 | 110.7 | R25 K26 K33 | R25-E29 HydrophobicContact CG-CG 4.31Å; R25-E29 VanDerWaalsContact CG-OE1 3.28Å; R25-E29 WeakPolarHBondContact CG-OE1 3.45Å; R25-E29 IonicContact CZ-OE1 3.87Å; R25-E29 IonicContact NH1-OE1 2.89Å; R25-E29 PolarHBondContact NH1-OE1 3.11Å; R25-E29 WeakPolarHBondContact O-CB 3.46Å; R25-E29 WeakPolarHBondContact O-CG 3.4Å; R25-E29 PolarHBondContact O-N 3.29Å; K26-E29 IonicContact NZ-OE2 3.52Å; K26-E29 PolarHBondContact NZ-OE2 3.28Å; E29-K33 WeakPolarHBondContact O-CB 3.26Å; E29-K33 PolarHBondContact O-N 3.41Å; E29-K33 VanDerWaalsContact O-N 3.1Å |
| 30 | T | 98.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 98.6 Ų | 98.6 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.1 | -45.7 | 179 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | K26 W27 M28 V32 K33 E34 | K26-T30 WeakPolarHBondContact O-CB 3.26Å; K26-T30 PolarHBondContact O-N 3.05Å; K26-T30 PolarHBondContact O-OG1 3.4Å; W27-T30 PolarHBondContact O-N 3.21Å; M28-T30 VanDerWaalsContact C-N 3.29Å; M28-T30 PolarHBondContact O-N 3.03Å; T30-V32 PolarHBondContact O-N 2.95Å; T30-K33 PolarHBondContact O-N 3.27Å; T30-E34 HydrophobicContact CG2-CG 4.5Å; T30-E34 PolarHBondContact O-N 3.01Å |
| 31 | Y | 98.3 | Very high | 98 | Very high | 139 Ų | 139 | 98.5 Ų | 98.5 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.1 | -47 | 179.5 | 173.6 | -97.4 | 0 | 0 | 0 | 111.9 | W27 M28 S35 | W27-Y31 HydrophobicContact CH2-CD2 4.45Å; W27-Y31 HydrophobicContact CH2-CG 4.4Å; W27-Y31 HydrophobicContact CZ2-CD2 4.46Å; W27-Y31 WeakPolarHBondContact O-CB 3.1Å; W27-Y31 PolarHBondContact O-N 2.88Å; M28-Y31 PolarHBondContact O-N 3.48Å; Y31-S35 WeakPolarHBondContact O-CB 3.47Å; Y31-S35 PolarHBondContact O-N 3.4Å; Y31-S35 PolarHBondContact O-OG 3.42Å |
| 32 | V | 98.5 | Very high | 98.1 | Very high | 72 Ų | 72 | 101.5 Ų | 101.5 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 109.9 | M28 T30 E34 S35 F36 | M28-V32 WeakPolarHBondContact O-CB 3.26Å; M28-V32 VanDerWaalsContact O-CG2 3.31Å; M28-V32 WeakPolarHBondContact O-CG2 3.5Å; M28-V32 PolarHBondContact O-N 3.36Å; T30-V32 PolarHBondContact O-N 2.95Å; V32-E34 PolarHBondContact O-N 3.4Å; V32-S35 PolarHBondContact O-N 3.24Å; V32-F36 HydrophobicContact CG1-CD2 3.6Å; V32-F36 HydrophobicContact CG1-CE2 3.73Å; V32-F36 WeakPolarHBondContact O-CD2 3.4Å; V32-F36 PolarHBondContact O-N 2.96Å |
| 33 | K | 98.4 | Very high | 98.2 | Very high | 144 Ų | 144 | 101.9 Ų | 101.9 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.3 | -50 | 179.5 | -177 | -177.5 | 177.3 | -175.8 | 0 | 112.5 | E29 T30 S35 F36 K37 | E29-K33 WeakPolarHBondContact O-CB 3.26Å; E29-K33 PolarHBondContact O-N 3.41Å; E29-K33 VanDerWaalsContact O-N 3.1Å; T30-K33 PolarHBondContact O-N 3.27Å; K33-S35 VanDerWaalsContact C-N 3.34Å; K33-F36 PolarHBondContact O-N 3.42Å; K33-K37 WeakPolarHBondContact O-CB 3.46Å; K33-K37 PolarHBondContact O-N 3.26Å |
| 34 | E | 98.1 | Very high | 98.3 | Very high | 90 Ų | 90 | 101 Ų | 101 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.7 | -34.4 | -179.2 | -66.7 | -54.3 | 130.2 | 0 | 0 | 111.8 | T30 V32 K37 G38 | T30-E34 HydrophobicContact CG2-CG 4.5Å; T30-E34 PolarHBondContact O-N 3.01Å; V32-E34 PolarHBondContact O-N 3.4Å; E34-K37 PolarHBondContact O-N 3.37Å; E34-K37 IonicContact OE2-NZ 2.8Å; E34-G38 PolarHBondContact O-N 2.94Å |
| 35 | S | 97.9 | Very high | 98.3 | Very high | 47 Ų | 47 | 103.9 Ų | 103.9 | 33% | 0.329 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 175.6 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | Y31 V32 K33 S39 | Y31-S35 WeakPolarHBondContact O-CB 3.47Å; Y31-S35 PolarHBondContact O-N 3.4Å; Y31-S35 PolarHBondContact O-OG 3.42Å; V32-S35 PolarHBondContact O-N 3.24Å; K33-S35 VanDerWaalsContact C-N 3.34Å; S35-S39 WeakPolarHBondContact O-CB 3.37Å; S35-S39 PolarHBondContact O-N 3.42Å; S35-S39 PolarHBondContact O-OG 3.47Å |
| 36 | F | 98.1 | Very high | 98.3 | Very high | 132 Ų | 132 | 105.4 Ų | 105.4 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 173.8 | -91.9 | -79.4 | 0 | 0 | 0 | 111.8 | V32 K33 G38 S39 N40 | V32-F36 HydrophobicContact CG1-CD2 3.6Å; V32-F36 HydrophobicContact CG1-CE2 3.73Å; V32-F36 WeakPolarHBondContact O-CD2 3.4Å; V32-F36 PolarHBondContact O-N 2.96Å; K33-F36 PolarHBondContact O-N 3.42Å; F36-G38 PolarHBondContact O-N 3.47Å; F36-S39 PolarHBondContact O-N 3.13Å; F36-N40 WeakPolarHBondContact O-CB 3.33Å; F36-N40 PolarHBondContact O-N 2.97Å |
| 37 | K | 98.2 | Very high | 98.3 | Very high | 105 Ų | 105 | 104 Ų | 104 | 46% | 0.457 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 177.4 | -178.6 | -177.1 | 171 | -165.6 | 0 | 111.7 | K33 E34 N40 Q41 | K33-K37 WeakPolarHBondContact O-CB 3.46Å; K33-K37 PolarHBondContact O-N 3.26Å; E34-K37 PolarHBondContact O-N 3.37Å; E34-K37 IonicContact OE2-NZ 2.8Å; K37-N40 PolarHBondContact O-N 2.91Å; K37-Q41 WeakPolarHBondContact O-CG 3.46Å; K37-Q41 PolarHBondContact O-N 3.39Å |
| 38 | G | 97.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 101.5 Ų | 101.5 | 38% | 0.381 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E34 F36 Q41 K42 | E34-G38 PolarHBondContact O-N 2.94Å; F36-G38 PolarHBondContact O-N 3.47Å; G38-Q41 PolarHBondContact O-N 2.9Å; G38-K42 PolarHBondContact O-N 2.88Å |
| 39 | S | 98.1 | Very high | 98.4 | Very high | 74 Ų | 74 | 101.1 Ų | 101.1 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | S35 F36 Q41 K42 L43 | S35-S39 WeakPolarHBondContact O-CB 3.37Å; S35-S39 PolarHBondContact O-N 3.42Å; S35-S39 PolarHBondContact O-OG 3.47Å; F36-S39 PolarHBondContact O-N 3.13Å; S39-Q41 PolarHBondContact O-N 3.29Å; S39-K42 PolarHBondContact O-N 3.23Å; S39-L43 PolarHBondContact O-N 2.9Å |
| 40 | N | 98.4 | Very high | 98.4 | Very high | 97 Ų | 97 | 100.9 Ų | 100.9 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177.6 | -77.1 | -2.5 | 0 | 0 | 0 | 111.9 | F36 K37 K42 L43 E44 | F36-N40 WeakPolarHBondContact O-CB 3.33Å; F36-N40 PolarHBondContact O-N 2.97Å; K37-N40 PolarHBondContact O-N 2.91Å; N40-K42 VanDerWaalsContact C-N 3.31Å; N40-K42 PolarHBondContact O-N 3.36Å; N40-L43 PolarHBondContact O-N 2.86Å; N40-E44 WeakPolarHBondContact O-CB 3.4Å; N40-E44 PolarHBondContact O-N 3.11Å |
| 41 | Q | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 103.5 Ų | 103.5 | 42% | 0.416 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 175.5 | -74.9 | -179.8 | -6 | 0 | 0 | 112.2 | K37 G38 S39 R45 | K37-Q41 WeakPolarHBondContact O-CG 3.46Å; K37-Q41 PolarHBondContact O-N 3.39Å; G38-Q41 PolarHBondContact O-N 2.9Å; S39-Q41 PolarHBondContact O-N 3.29Å; Q41-R45 WeakPolarHBondContact O-CB 3.48Å; Q41-R45 VanDerWaalsContact O-CG 3.28Å; Q41-R45 WeakPolarHBondContact O-CG 3.41Å; Q41-R45 PolarHBondContact O-N 3.1Å |
| 42 | K | 98.4 | Very high | 98.4 | Very high | 166 Ų | 166 | 104.5 Ų | 104.5 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -44.1 | 176 | -171.9 | 176.1 | -179.5 | -179.5 | 0 | 111.3 | G38 S39 N40 R45 F46 | G38-K42 PolarHBondContact O-N 2.88Å; S39-K42 PolarHBondContact O-N 3.23Å; N40-K42 VanDerWaalsContact C-N 3.31Å; N40-K42 PolarHBondContact O-N 3.36Å; K42-R45 PolarHBondContact O-N 3.41Å; K42-F46 WeakPolarHBondContact O-CB 3.38Å; K42-F46 PolarHBondContact O-N 2.88Å |
| 43 | L | 98.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 105.3 Ų | 105.3 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 176.7 | -178.1 | 61.3 | 0 | 0 | 0 | 111.4 | S39 N40 R45 F46 C47 | S39-L43 PolarHBondContact O-N 2.9Å; N40-L43 PolarHBondContact O-N 2.86Å; L43-R45 PolarHBondContact O-N 3.4Å; L43-F46 WeakPolarHBondContact O-CB 3.37Å; L43-F46 PolarHBondContact O-N 2.84Å; L43-F46 VanDerWaalsContact O-N 3.16Å; L43-C47 PolarHBondContact O-N 3.39Å; L43-C47 PolarHBondContact O-SG 2.92Å; L43-C47 VanDerWaalsContact O-SG 3.35Å |
| 44 | E | 98.6 | Very high | 98.4 | Very high | 99 Ų | 99 | 107.1 Ų | 107.1 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 178.6 | -171.2 | -170.6 | 169.1 | 0 | 0 | 111.7 | N40 F46 C47 K48 | N40-E44 WeakPolarHBondContact O-CB 3.4Å; N40-E44 PolarHBondContact O-N 3.11Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 3.2Å; E44-C47 PolarHBondContact O-N 3.23Å; E44-K48 HydrophobicContact CG-CD 4.21Å; E44-K48 WeakPolarHBondContact O-CB 3.45Å; E44-K48 WeakPolarHBondContact O-CG 3.36Å; E44-K48 PolarHBondContact O-N 3.29Å; E44-K48 WeakPolarHBondContact OE1-CE 3.36Å; E44-K48 IonicContact OE1-NZ 2.63Å; E44-K48 PolarHBondContact OE1-NZ 3.45Å |
| 45 | R | 98.6 | Very high | 98.5 | Very high | 179 Ų | 179 | 109.3 Ų | 109.3 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 175 | -74.1 | 178.5 | -171.5 | -154.7 | 4.2 | 111.6 | Q41 K42 L43 K48 T49 | Q41-R45 WeakPolarHBondContact O-CB 3.48Å; Q41-R45 VanDerWaalsContact O-CG 3.28Å; Q41-R45 WeakPolarHBondContact O-CG 3.41Å; Q41-R45 PolarHBondContact O-N 3.1Å; K42-R45 PolarHBondContact O-N 3.41Å; L43-R45 PolarHBondContact O-N 3.4Å; R45-K48 PolarHBondContact O-N 3.04Å; R45-T49 WeakPolarHBondContact O-CB 3.44Å; R45-T49 PolarHBondContact O-N 3.03Å; R45-T49 PolarHBondContact O-OG1 3.2Å; R45-T49 VanDerWaalsContact O-OG1 3.06Å |
| 46 | F | 98.6 | Very high | 98.5 | Very high | 138 Ų | 138 | 110 Ų | 110 | 61% | 0.605 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61 | -49 | 177.1 | 176.7 | -97 | 0 | 0 | 0 | 111.5 | K42 L43 E44 K48 T49 N50 | K42-F46 WeakPolarHBondContact O-CB 3.38Å; K42-F46 PolarHBondContact O-N 2.88Å; L43-F46 WeakPolarHBondContact O-CB 3.37Å; L43-F46 PolarHBondContact O-N 2.84Å; L43-F46 VanDerWaalsContact O-N 3.16Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 3.2Å; F46-K48 PolarHBondContact O-N 2.91Å; F46-T49 PolarHBondContact O-N 3.27Å; F46-N50 WeakPolarHBondContact O-CB 3.43Å; F46-N50 PolarHBondContact O-N 2.85Å |
| 47 | C | 98.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 109 Ų | 109 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59 | -47 | 177.9 | -69.8 | 0 | 0 | 0 | 0 | 112 | L43 E44 T49 N50 E51 | L43-C47 PolarHBondContact O-N 3.39Å; L43-C47 PolarHBondContact O-SG 2.92Å; L43-C47 VanDerWaalsContact O-SG 3.35Å; E44-C47 PolarHBondContact O-N 3.23Å; C47-T49 PolarHBondContact O-N 3.09Å; C47-N50 PolarHBondContact O-N 3.06Å; C47-E51 WeakPolarHBondContact O-CB 3.42Å; C47-E51 PolarHBondContact O-N 3.34Å |
| 48 | K | 98.7 | Very high | 98.5 | Very high | 113 Ų | 113 | 108.4 Ų | 108.4 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 178.3 | -76.6 | 176.4 | 170.7 | 173 | 0 | 112.6 | E44 R45 F46 R52 | E44-K48 HydrophobicContact CG-CD 4.21Å; E44-K48 WeakPolarHBondContact O-CB 3.45Å; E44-K48 WeakPolarHBondContact O-CG 3.36Å; E44-K48 PolarHBondContact O-N 3.29Å; E44-K48 WeakPolarHBondContact OE1-CE 3.36Å; E44-K48 IonicContact OE1-NZ 2.63Å; E44-K48 PolarHBondContact OE1-NZ 3.45Å; R45-K48 PolarHBondContact O-N 3.04Å; F46-K48 PolarHBondContact O-N 2.91Å; K48-R52 WeakPolarHBondContact O-CB 3.37Å; K48-R52 PolarHBondContact O-N 3.36Å |
| 49 | T | 98.7 | Very high | 98.5 | Very high | 67 Ų | 67 | 110 Ų | 110 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 175.9 | -64 | 0 | 0 | 0 | 0 | 110.6 | R45 F46 C47 E51 R52 E53 | R45-T49 WeakPolarHBondContact O-CB 3.44Å; R45-T49 PolarHBondContact O-N 3.03Å; R45-T49 PolarHBondContact O-OG1 3.2Å; R45-T49 VanDerWaalsContact O-OG1 3.06Å; F46-T49 PolarHBondContact O-N 3.27Å; C47-T49 PolarHBondContact O-N 3.09Å; T49-E51 PolarHBondContact O-N 2.88Å; T49-R52 PolarHBondContact O-N 3.43Å; T49-E53 WeakPolarHBondContact O-CG 3.39Å; T49-E53 PolarHBondContact O-N 3.22Å |
| 50 | N | 98.6 | Very high | 98.5 | Very high | 80 Ų | 80 | 112 Ų | 112 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 178.2 | 179.5 | 73 | 0 | 0 | 0 | 112.3 | F46 C47 E53 R54 | F46-N50 WeakPolarHBondContact O-CB 3.43Å; F46-N50 PolarHBondContact O-N 2.85Å; C47-N50 PolarHBondContact O-N 3.06Å; N50-E53 PolarHBondContact O-N 3.21Å; N50-R54 WeakPolarHBondContact O-CG 3.47Å; N50-R54 PolarHBondContact O-N 2.8Å |
| 51 | E | 98.7 | Very high | 98.5 | Very high | 137 Ų | 137 | 112.4 Ų | 112.4 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61 | -44.7 | 175.5 | -173.7 | -176.3 | 174.7 | 0 | 0 | 111.8 | C47 T49 R54 K55 | C47-E51 WeakPolarHBondContact O-CB 3.42Å; C47-E51 PolarHBondContact O-N 3.34Å; T49-E51 PolarHBondContact O-N 2.88Å; E51-R54 PolarHBondContact O-N 3.29Å; E51-K55 PolarHBondContact O-N 3.33Å |
| 52 | R | 98.7 | Very high | 98.5 | Very high | 159 Ų | 159 | 110.6 Ų | 110.6 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.7 | -46.6 | 177.3 | -172.5 | -169.6 | -59.6 | 140.6 | 1.3 | 111.9 | K48 T49 K55 N56 | K48-R52 WeakPolarHBondContact O-CB 3.37Å; K48-R52 PolarHBondContact O-N 3.36Å; T49-R52 PolarHBondContact O-N 3.43Å; R52-K55 PolarHBondContact O-N 2.96Å; R52-N56 WeakPolarHBondContact O-CB 3.39Å; R52-N56 PolarHBondContact O-N 3.37Å |
| 53 | E | 98.7 | Very high | 98.5 | Very high | 90 Ų | 90 | 108.5 Ų | 108.5 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 179.2 | -69.6 | -50.9 | 138.1 | 0 | 0 | 111.6 | T49 N50 K55 N56 I57 | T49-E53 WeakPolarHBondContact O-CG 3.39Å; T49-E53 PolarHBondContact O-N 3.22Å; N50-E53 PolarHBondContact O-N 3.21Å; E53-K55 VanDerWaalsContact C-N 3.33Å; E53-K55 PolarHBondContact O-N 3.28Å; E53-N56 WeakPolarHBondContact O-CB 3.33Å; E53-N56 PolarHBondContact O-N 2.88Å; E53-I57 WeakPolarHBondContact O-CG1 3.32Å; E53-I57 PolarHBondContact O-N 3.45Å |
| 54 | R | 98.6 | Very high | 98.4 | Very high | 181 Ų | 181 | 109.4 Ų | 109.4 | 68% | 0.683 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 174.6 | -72.8 | -175.7 | 72.2 | 154.6 | 3.8 | 111.9 | N50 E51 I57 N58 | N50-R54 WeakPolarHBondContact O-CG 3.47Å; N50-R54 PolarHBondContact O-N 2.8Å; E51-R54 PolarHBondContact O-N 3.29Å; R54-I57 PolarHBondContact O-N 3.4Å; R54-N58 WeakPolarHBondContact O-CB 3.37Å; R54-N58 PolarHBondContact O-N 3.02Å |
| 55 | K | 98.6 | Very high | 98.4 | Very high | 137 Ų | 137 | 110.1 Ų | 110.1 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -41.2 | 176.6 | -171.8 | 174.7 | -178.7 | 176.8 | 0 | 111.8 | E51 R52 E53 N58 N59 | E51-K55 PolarHBondContact O-N 3.33Å; R52-K55 PolarHBondContact O-N 2.96Å; E53-K55 VanDerWaalsContact C-N 3.33Å; E53-K55 PolarHBondContact O-N 3.28Å; K55-N58 PolarHBondContact O-N 3.42Å; K55-N59 WeakPolarHBondContact O-CB 3.45Å; K55-N59 PolarHBondContact O-N 3.23Å; K55-N59 PolarHBondContact O-OD1 3.04Å |
| 56 | N | 98.5 | Very high | 98.4 | Very high | 61 Ų | 61 | 105.8 Ų | 105.8 | 33% | 0.326 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 177.4 | -177 | 35.7 | 0 | 0 | 0 | 111.8 | R52 E53 N59 K60 | R52-N56 WeakPolarHBondContact O-CB 3.39Å; R52-N56 PolarHBondContact O-N 3.37Å; E53-N56 WeakPolarHBondContact O-CB 3.33Å; E53-N56 PolarHBondContact O-N 2.88Å; N56-N59 PolarHBondContact O-N 2.88Å; N56-K60 WeakPolarHBondContact O-CG 3.44Å; N56-K60 PolarHBondContact O-N 3.41Å; N56-K60 WeakPolarHBondContact OD1-CE 3.35Å |
| 57 | I | 98.3 | Very high | 98.4 | Very high | 112 Ų | 112 | 103.5 Ų | 103.5 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.3 | -47.2 | 176.8 | -66.9 | 165.2 | 0 | 0 | 0 | 110.4 | E53 R54 N59 K60 F61 | E53-I57 WeakPolarHBondContact O-CG1 3.32Å; E53-I57 PolarHBondContact O-N 3.45Å; R54-I57 PolarHBondContact O-N 3.4Å; I57-N59 PolarHBondContact O-N 3.38Å; I57-K60 PolarHBondContact O-N 3.02Å; I57-F61 WeakPolarHBondContact O-CB 3.44Å; I57-F61 PolarHBondContact O-N 2.95Å |
| 58 | N | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 104.9 Ų | 104.9 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 179 | -173.4 | 79.5 | 0 | 0 | 0 | 111.8 | R54 K55 F61 C62 | R54-N58 WeakPolarHBondContact O-CB 3.37Å; R54-N58 PolarHBondContact O-N 3.02Å; K55-N58 PolarHBondContact O-N 3.42Å; N58-F61 PolarHBondContact O-N 3.4Å; N58-C62 WeakPolarHBondContact O-CB 3.33Å; N58-C62 PolarHBondContact O-N 3.35Å; N58-C62 PolarHBondContact O-SG 2.88Å |
| 59 | N | 98.4 | Very high | 98.3 | Very high | 70 Ų | 70 | 105.4 Ų | 105.4 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 179.5 | -73.6 | 1.4 | 0 | 0 | 0 | 111.9 | K55 N56 I57 F61 C62 E63 | K55-N59 WeakPolarHBondContact O-CB 3.45Å; K55-N59 PolarHBondContact O-N 3.23Å; K55-N59 PolarHBondContact O-OD1 3.04Å; N56-N59 PolarHBondContact O-N 2.88Å; I57-N59 PolarHBondContact O-N 3.38Å; N59-F61 VanDerWaalsContact C-N 3.27Å; N59-F61 PolarHBondContact O-N 3Å; N59-C62 PolarHBondContact O-N 3.36Å; N59-E63 WeakPolarHBondContact O-CG 3.36Å; N59-E63 PolarHBondContact O-N 3.49Å |
| 60 | K | 98.1 | Very high | 98.3 | Very high | 115 Ų | 115 | 107.7 Ų | 107.7 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 176.6 | -73.4 | 176.4 | 177.8 | -179.4 | 0 | 112 | N56 I57 Q64 | N56-K60 WeakPolarHBondContact O-CG 3.44Å; N56-K60 PolarHBondContact O-N 3.41Å; N56-K60 WeakPolarHBondContact OD1-CE 3.35Å; I57-K60 PolarHBondContact O-N 3.02Å; K60-Q64 WeakPolarHBondContact O-CG 3.43Å; K60-Q64 PolarHBondContact O-N 3.04Å |
| 61 | F | 97.4 | Very high | 98.3 | Very high | 106 Ų | 106 | 110.3 Ų | 110.3 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -45.9 | 177 | -170.6 | -100.2 | 0 | 0 | 0 | 111.5 | I57 N58 N59 E63 Q64 Y65 | I57-F61 WeakPolarHBondContact O-CB 3.44Å; I57-F61 PolarHBondContact O-N 2.95Å; N58-F61 PolarHBondContact O-N 3.4Å; N59-F61 VanDerWaalsContact C-N 3.27Å; N59-F61 PolarHBondContact O-N 3Å; F61-E63 VanDerWaalsContact C-N 3.33Å; F61-E63 PolarHBondContact O-N 2.88Å; F61-Q64 WeakPolarHBondContact O-CB 3.47Å; F61-Q64 PolarHBondContact O-N 3.48Å; F61-Y65 AromaticContact CD1-CD2 3.86Å; F61-Y65 HydrophobicContact CD1-CD2 3.86Å; F61-Y65 AromaticContact CD1-CE2 3.8Å; F61-Y65 HydrophobicContact CD1-CE2 3.8Å; F61-Y65 HydrophobicContact CD2-CD2 4.48Å; F61-Y65 HydrophobicContact CD2-CE2 4.06Å; F61-Y65 AromaticContact CE1-CD2 3.67Å; F61-Y65 HydrophobicContact CE1-CD2 3.67Å; F61-Y65 AromaticContact CE1-CE2 3.18Å; F61-Y65 HydrophobicContact CE1-CE2 3.18Å; F61-Y65 AromaticContact CE1-CZ 3.69Å; F61-Y65 HydrophobicContact CE2-CD2 4.32Å; F61-Y65 AromaticContact CE2-CE2 3.49Å; F61-Y65 HydrophobicContact CE2-CE2 3.49Å; F61-Y65 VanDerWaalsContact CE2-CE2 3.49Å; F61-Y65 HydrophobicContact CG-CD2 4.3Å; F61-Y65 HydrophobicContact CG-CE2 4.23Å; F61-Y65 AromaticContact CZ-CD2 3.96Å; F61-Y65 HydrophobicContact CZ-CD2 3.96Å; F61-Y65 AromaticContact CZ-CE2 3.04Å; F61-Y65 HydrophobicContact CZ-CE2 3.04Å; F61-Y65 AromaticContact CZ-CZ 3.49Å; F61-Y65 VanDerWaalsContact CZ-CZ 3.49Å; F61-Y65 WeakPolarHBondContact CZ-OH 3.36Å; F61-Y65 WeakPolarHBondContact O-CD2 3.35Å; F61-Y65 PolarHBondContact O-N 2.95Å; F61-Y65 VanDerWaalsContact O-N 3.09Å |
| 62 | C | 98.2 | Very high | 98.3 | Very high | 52 Ų | 52 | 106.4 Ų | 106.4 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 175.7 | -71 | 0 | 0 | 0 | 0 | 112.4 | N58 N59 Q64 Y65 I66 | N58-C62 WeakPolarHBondContact O-CB 3.33Å; N58-C62 PolarHBondContact O-N 3.35Å; N58-C62 PolarHBondContact O-SG 2.88Å; N59-C62 PolarHBondContact O-N 3.36Å; C62-Q64 VanDerWaalsContact C-N 3.32Å; C62-Q64 PolarHBondContact O-N 3.46Å; C62-Y65 PolarHBondContact O-N 3.42Å; C62-I66 VanDerWaalsContact O-CG1 3.26Å; C62-I66 WeakPolarHBondContact O-CG1 3.28Å; C62-I66 PolarHBondContact O-N 3.42Å |
| 63 | E | 98.2 | Very high | 98.3 | Very high | 121 Ų | 121 | 103.5 Ų | 103.5 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59 | -42.3 | 176.5 | -76.1 | 170.5 | -171 | 0 | 0 | 112.2 | N59 F61 T67 | N59-E63 WeakPolarHBondContact O-CG 3.36Å; N59-E63 PolarHBondContact O-N 3.49Å; F61-E63 VanDerWaalsContact C-N 3.33Å; F61-E63 PolarHBondContact O-N 2.88Å; E63-T67 WeakPolarHBondContact O-CB 3.46Å; E63-T67 PolarHBondContact O-N 3.28Å; E63-T67 PolarHBondContact O-OG1 3.43Å |
| 64 | Q | 98.1 | Very high | 98.3 | Very high | 123 Ų | 123 | 105.2 Ų | 105.2 | 58% | 0.575 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.3 | -47.7 | 175 | -71.7 | 176.7 | -4.1 | 0 | 0 | 111.4 | K60 F61 C62 T67 T68 | K60-Q64 WeakPolarHBondContact O-CG 3.43Å; K60-Q64 PolarHBondContact O-N 3.04Å; F61-Q64 WeakPolarHBondContact O-CB 3.47Å; F61-Q64 PolarHBondContact O-N 3.48Å; C62-Q64 VanDerWaalsContact C-N 3.32Å; C62-Q64 PolarHBondContact O-N 3.46Å; Q64-T67 PolarHBondContact O-N 2.93Å; Q64-T68 PolarHBondContact O-N 3.48Å; Q64-T68 PolarHBondContact O-OG1 3.3Å; Q64-T68 VanDerWaalsContact O-OG1 3.06Å |
| 65 | Y | 97.6 | Very high | 98.3 | Very high | 113 Ų | 113 | 100.7 Ų | 100.7 | 44% | 0.443 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 179.3 | -88.3 | -105.2 | 0 | 0 | 0 | 112.3 | F61 C62 T67 T68 F69 | F61-Y65 AromaticContact CD1-CD2 3.86Å; F61-Y65 HydrophobicContact CD1-CD2 3.86Å; F61-Y65 AromaticContact CD1-CE2 3.8Å; F61-Y65 HydrophobicContact CD1-CE2 3.8Å; F61-Y65 HydrophobicContact CD2-CD2 4.48Å; F61-Y65 HydrophobicContact CD2-CE2 4.06Å; F61-Y65 AromaticContact CE1-CD2 3.67Å; F61-Y65 HydrophobicContact CE1-CD2 3.67Å; F61-Y65 AromaticContact CE1-CE2 3.18Å; F61-Y65 HydrophobicContact CE1-CE2 3.18Å; F61-Y65 AromaticContact CE1-CZ 3.69Å; F61-Y65 HydrophobicContact CE2-CD2 4.32Å; F61-Y65 AromaticContact CE2-CE2 3.49Å; F61-Y65 HydrophobicContact CE2-CE2 3.49Å; F61-Y65 VanDerWaalsContact CE2-CE2 3.49Å; F61-Y65 HydrophobicContact CG-CD2 4.3Å; F61-Y65 HydrophobicContact CG-CE2 4.23Å; F61-Y65 AromaticContact CZ-CD2 3.96Å; F61-Y65 HydrophobicContact CZ-CD2 3.96Å; F61-Y65 AromaticContact CZ-CE2 3.04Å; F61-Y65 HydrophobicContact CZ-CE2 3.04Å; F61-Y65 AromaticContact CZ-CZ 3.49Å; F61-Y65 VanDerWaalsContact CZ-CZ 3.49Å; F61-Y65 WeakPolarHBondContact CZ-OH 3.36Å; F61-Y65 WeakPolarHBondContact O-CD2 3.35Å; F61-Y65 PolarHBondContact O-N 2.95Å; F61-Y65 VanDerWaalsContact O-N 3.09Å; C62-Y65 PolarHBondContact O-N 3.42Å; Y65-T67 VanDerWaalsContact C-N 3.28Å; Y65-T67 PolarHBondContact O-N 3.22Å; Y65-T68 PolarHBondContact O-N 2.9Å; Y65-F69 HydrophobicContact CD1-CD2 4.48Å; Y65-F69 AromaticContact CD1-CE2 3.65Å; Y65-F69 HydrophobicContact CD1-CE2 3.65Å; Y65-F69 HydrophobicContact CD1-CZ 4.14Å; Y65-F69 HydrophobicContact CG-CE2 4.41Å; Y65-F69 WeakPolarHBondContact O-CB 3.4Å; Y65-F69 WeakPolarHBondContact O-CD2 3.28Å; Y65-F69 PolarHBondContact O-N 2.63Å |
| 66 | I | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 97.8 Ų | 97.8 | 46% | 0.456 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.9 | -47.5 | 177.1 | -70.5 | 164.3 | 0 | 0 | 0 | 109.7 | C62 T68 F69 Q70 | C62-I66 VanDerWaalsContact O-CG1 3.26Å; C62-I66 WeakPolarHBondContact O-CG1 3.28Å; C62-I66 PolarHBondContact O-N 3.42Å; I66-T68 PolarHBondContact O-N 2.85Å; I66-F69 PolarHBondContact O-N 3Å; I66-Q70 HydrophobicContact CG2-CG 4.37Å; I66-Q70 WeakPolarHBondContact O-CB 3.34Å; I66-Q70 VanDerWaalsContact O-CG 3.26Å; I66-Q70 WeakPolarHBondContact O-CG 3.35Å; I66-Q70 PolarHBondContact O-N 3.06Å |
| 67 | T | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 100.8 Ų | 100.8 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 179 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | E63 Q64 Y65 K71 | E63-T67 WeakPolarHBondContact O-CB 3.46Å; E63-T67 PolarHBondContact O-N 3.28Å; E63-T67 PolarHBondContact O-OG1 3.43Å; Q64-T67 PolarHBondContact O-N 2.93Å; Y65-T67 VanDerWaalsContact C-N 3.28Å; Y65-T67 PolarHBondContact O-N 3.22Å; T67-K71 WeakPolarHBondContact O-CB 3.47Å; T67-K71 PolarHBondContact O-N 2.97Å |
| 68 | T | 98.4 | Very high | 98.3 | Very high | 96 Ų | 96 | 101.1 Ų | 101.1 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 178.3 | -59.9 | 0 | 0 | 0 | 0 | 112 | Q64 Y65 I66 K71 S72 | Q64-T68 PolarHBondContact O-N 3.48Å; Q64-T68 PolarHBondContact O-OG1 3.3Å; Q64-T68 VanDerWaalsContact O-OG1 3.06Å; Y65-T68 PolarHBondContact O-N 2.9Å; I66-T68 PolarHBondContact O-N 2.85Å; T68-K71 PolarHBondContact O-N 3.46Å; T68-S72 WeakPolarHBondContact O-CB 3.49Å; T68-S72 PolarHBondContact O-N 3.16Å |
| 69 | F | 98.4 | Very high | 98.4 | Very high | 123 Ų | 123 | 102.9 Ų | 102.9 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 178.7 | -74.2 | -56.2 | 0 | 0 | 0 | 112.1 | Y65 I66 K71 S72 D73 | Y65-F69 HydrophobicContact CD1-CD2 4.48Å; Y65-F69 AromaticContact CD1-CE2 3.65Å; Y65-F69 HydrophobicContact CD1-CE2 3.65Å; Y65-F69 HydrophobicContact CD1-CZ 4.14Å; Y65-F69 HydrophobicContact CG-CE2 4.41Å; Y65-F69 WeakPolarHBondContact O-CB 3.4Å; Y65-F69 WeakPolarHBondContact O-CD2 3.28Å; Y65-F69 PolarHBondContact O-N 2.63Å; I66-F69 PolarHBondContact O-N 3Å; F69-K71 VanDerWaalsContact C-N 3.29Å; F69-K71 PolarHBondContact O-N 3.44Å; F69-S72 WeakPolarHBondContact O-CB 3.35Å; F69-S72 PolarHBondContact O-N 3.02Å; F69-S72 VanDerWaalsContact O-N 3.11Å; F69-D73 PolarHBondContact O-N 3.47Å |
| 70 | Q | 98.5 | Very high | 98.4 | Very high | 115 Ų | 115 | 103.4 Ų | 103.4 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58 | -43.5 | 174.6 | -75 | 174.7 | -19.5 | 0 | 0 | 111.7 | I66 D73 M74 | I66-Q70 HydrophobicContact CG2-CG 4.37Å; I66-Q70 WeakPolarHBondContact O-CB 3.34Å; I66-Q70 VanDerWaalsContact O-CG 3.26Å; I66-Q70 WeakPolarHBondContact O-CG 3.35Å; I66-Q70 PolarHBondContact O-N 3.06Å; Q70-D73 PolarHBondContact O-N 3.33Å; Q70-M74 WeakPolarHBondContact O-CG 3.21Å; Q70-M74 PolarHBondContact O-N 3.45Å; Q70-M74 VanDerWaalsContact O-N 3.1Å |
| 71 | K | 98.5 | Very high | 98.4 | Very high | 135 Ų | 135 | 103.1 Ų | 103.1 | 59% | 0.587 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 174.9 | -176.3 | 178.6 | 176.7 | -176.9 | 0 | 111.7 | T67 T68 F69 D73 M74 D75 | T67-K71 WeakPolarHBondContact O-CB 3.47Å; T67-K71 PolarHBondContact O-N 2.97Å; T68-K71 PolarHBondContact O-N 3.46Å; F69-K71 VanDerWaalsContact C-N 3.29Å; F69-K71 PolarHBondContact O-N 3.44Å; K71-D73 VanDerWaalsContact C-N 3.3Å; K71-D73 PolarHBondContact O-N 2.96Å; K71-M74 WeakPolarHBondContact O-CB 3.31Å; K71-M74 PolarHBondContact O-N 3.27Å; K71-D75 VanDerWaalsContact O-CG 3.29Å; K71-D75 PolarHBondContact O-N 2.91Å |
| 72 | S | 98.6 | Very high | 98.4 | Very high | 55 Ų | 55 | 102.8 Ų | 102.8 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 177.3 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | T68 F69 D75 V76 | T68-S72 WeakPolarHBondContact O-CB 3.49Å; T68-S72 PolarHBondContact O-N 3.16Å; F69-S72 WeakPolarHBondContact O-CB 3.35Å; F69-S72 PolarHBondContact O-N 3.02Å; F69-S72 VanDerWaalsContact O-N 3.11Å; S72-D75 PolarHBondContact O-N 3.5Å; S72-V76 WeakPolarHBondContact O-CG2 3.47Å; S72-V76 PolarHBondContact O-N 2.9Å |
| 73 | D | 98.7 | Very high | 98.5 | Very high | 99 Ų | 99 | 106 Ų | 106 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 178 | -71 | -21.3 | 0 | 0 | 0 | 111.3 | F69 Q70 K71 V76 Q77 | F69-D73 PolarHBondContact O-N 3.47Å; Q70-D73 PolarHBondContact O-N 3.33Å; K71-D73 VanDerWaalsContact C-N 3.3Å; K71-D73 PolarHBondContact O-N 2.96Å; D73-V76 PolarHBondContact O-N 2.98Å; D73-Q77 WeakPolarHBondContact O-CG 3.32Å; D73-Q77 PolarHBondContact O-N 2.86Å |
| 74 | M | 98.6 | Very high | 98.5 | Very high | 125 Ų | 125 | 106.1 Ų | 106.1 | 62% | 0.616 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -42.8 | 173.8 | -70.3 | 178.3 | 61.8 | 0 | 0 | 112.2 | Q70 K71 V76 Q77 K78 | Q70-M74 WeakPolarHBondContact O-CG 3.21Å; Q70-M74 PolarHBondContact O-N 3.45Å; Q70-M74 VanDerWaalsContact O-N 3.1Å; K71-M74 WeakPolarHBondContact O-CB 3.31Å; K71-M74 PolarHBondContact O-N 3.27Å; M74-V76 VanDerWaalsContact C-N 3.31Å; M74-V76 PolarHBondContact O-N 3.36Å; M74-Q77 PolarHBondContact O-N 3.33Å; M74-K78 WeakPolarHBondContact O-CB 3.48Å; M74-K78 PolarHBondContact O-N 3.22Å |
| 75 | D | 98.7 | Very high | 98.5 | Very high | 86 Ų | 86 | 106.8 Ų | 106.8 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 178.8 | -71.1 | -23.1 | 0 | 0 | 0 | 110.8 | K71 S72 K78 F79 | K71-D75 VanDerWaalsContact O-CG 3.29Å; K71-D75 PolarHBondContact O-N 2.91Å; S72-D75 PolarHBondContact O-N 3.5Å; D75-K78 PolarHBondContact O-N 3.42Å; D75-F79 WeakPolarHBondContact O-CB 3.15Å; D75-F79 PolarHBondContact O-N 3Å |
| 76 | V | 98.8 | Very high | 98.5 | Very high | 77 Ų | 77 | 105.1 Ų | 105.1 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 173.7 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | S72 D73 M74 F79 N80 | S72-V76 WeakPolarHBondContact O-CG2 3.47Å; S72-V76 PolarHBondContact O-N 2.9Å; D73-V76 PolarHBondContact O-N 2.98Å; M74-V76 VanDerWaalsContact C-N 3.31Å; M74-V76 PolarHBondContact O-N 3.36Å; V76-F79 PolarHBondContact O-N 3.49Å; V76-N80 PolarHBondContact O-N 2.85Å; V76-N80 PolarHBondContact O-ND2 3.06Å |
| 77 | Q | 98.6 | Very high | 98.5 | Very high | 124 Ų | 124 | 104 Ų | 104 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.9 | -49.2 | 175.7 | -75 | 177.8 | -8.1 | 0 | 0 | 111.1 | D73 M74 F79 N80 E81 | D73-Q77 WeakPolarHBondContact O-CG 3.32Å; D73-Q77 PolarHBondContact O-N 2.86Å; M74-Q77 PolarHBondContact O-N 3.33Å; Q77-F79 VanDerWaalsContact C-N 3.35Å; Q77-F79 PolarHBondContact O-N 3.48Å; Q77-N80 WeakPolarHBondContact O-CB 3.3Å; Q77-N80 PolarHBondContact O-N 3.04Å; Q77-N80 VanDerWaalsContact O-N 3.13Å; Q77-E81 PolarHBondContact O-N 2.8Å |
| 78 | K | 98.7 | Very high | 98.5 | Very high | 118 Ų | 118 | 103 Ų | 103 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 178.7 | -172.8 | -179 | 176.4 | -170.6 | 0 | 112.1 | M74 D75 N80 E81 E82 | M74-K78 WeakPolarHBondContact O-CB 3.48Å; M74-K78 PolarHBondContact O-N 3.22Å; D75-K78 PolarHBondContact O-N 3.42Å; K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 PolarHBondContact O-N 3.16Å; K78-E81 PolarHBondContact O-N 2.97Å; K78-E82 VanDerWaalsContact CE-OE1 3.26Å; K78-E82 WeakPolarHBondContact CE-OE1 3.32Å; K78-E82 PolarHBondContact O-N 2.85Å |
| 79 | F | 98.6 | Very high | 98.5 | Very high | 130 Ų | 130 | 101.2 Ų | 101.2 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.4 | -42.3 | 175.2 | 173.5 | -97.3 | 0 | 0 | 0 | 111.7 | D75 V76 Q77 E82 K83 | D75-F79 WeakPolarHBondContact O-CB 3.15Å; D75-F79 PolarHBondContact O-N 3Å; V76-F79 PolarHBondContact O-N 3.49Å; Q77-F79 VanDerWaalsContact C-N 3.35Å; Q77-F79 PolarHBondContact O-N 3.48Å; F79-E82 PolarHBondContact O-N 3.44Å; F79-K83 HydrophobicContact CE1-CD 4.4Å; F79-K83 VanDerWaalsContact O-CB 3.29Å; F79-K83 WeakPolarHBondContact O-CB 3.42Å; F79-K83 PolarHBondContact O-N 3.03Å |
| 80 | N | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 99 Ų | 99 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 178.7 | -73.5 | -32.6 | 0 | 0 | 0 | 112.3 | V76 Q77 K78 K83 E84 | V76-N80 PolarHBondContact O-N 2.85Å; V76-N80 PolarHBondContact O-ND2 3.06Å; Q77-N80 WeakPolarHBondContact O-CB 3.3Å; Q77-N80 PolarHBondContact O-N 3.04Å; Q77-N80 VanDerWaalsContact O-N 3.13Å; K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 PolarHBondContact O-N 3.16Å; N80-K83 PolarHBondContact O-N 3.1Å; N80-E84 PolarHBondContact O-N 3.26Å |
| 81 | E | 98.6 | Very high | 98.5 | Very high | 109 Ų | 109 | 98.3 Ų | 98.3 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 174.6 | -69.2 | 178.8 | -168.7 | 0 | 0 | 112.2 | Q77 K78 E84 K85 | Q77-E81 PolarHBondContact O-N 2.8Å; K78-E81 PolarHBondContact O-N 2.97Å; E81-E84 PolarHBondContact O-N 3.2Å; E81-K85 WeakPolarHBondContact O-CG 3.45Å; E81-K85 PolarHBondContact O-N 3.4Å; E81-K85 VanDerWaalsContact O-N 3.11Å |
| 82 | E | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 99.1 Ų | 99.1 | 46% | 0.458 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 177.2 | -73.1 | -179.5 | -176 | 0 | 0 | 111.1 | K78 F79 E84 K85 S86 | K78-E82 VanDerWaalsContact CE-OE1 3.26Å; K78-E82 WeakPolarHBondContact CE-OE1 3.32Å; K78-E82 PolarHBondContact O-N 2.85Å; F79-E82 PolarHBondContact O-N 3.44Å; E82-E84 VanDerWaalsContact C-N 3.34Å; E82-E84 PolarHBondContact O-N 3.46Å; E82-K85 PolarHBondContact O-N 3.38Å; E82-S86 PolarHBondContact O-N 3.31Å; E82-S86 PolarHBondContact O-OG 3.04Å |
| 83 | K | 98.4 | Very high | 98.4 | Very high | 120 Ų | 120 | 102.6 Ų | 102.6 | 52% | 0.522 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57 | -46.7 | 174.8 | 178.5 | -172.1 | 171.6 | -174.1 | 0 | 111.5 | F79 N80 K85 S86 V87 | F79-K83 HydrophobicContact CE1-CD 4.4Å; F79-K83 VanDerWaalsContact O-CB 3.29Å; F79-K83 WeakPolarHBondContact O-CB 3.42Å; F79-K83 PolarHBondContact O-N 3.03Å; N80-K83 PolarHBondContact O-N 3.1Å; K83-K85 PolarHBondContact O-N 2.93Å; K83-S86 PolarHBondContact O-N 3.3Å; K83-V87 HydrophobicContact CG-CG2 4.49Å; K83-V87 VanDerWaalsContact O-CG2 3.31Å; K83-V87 WeakPolarHBondContact O-CG2 3.39Å; K83-V87 PolarHBondContact O-N 2.96Å |
| 84 | E | 98.4 | Very high | 98.4 | Very high | 124 Ų | 124 | 102.8 Ų | 102.8 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 179.6 | -172 | 178.4 | 172.7 | 0 | 0 | 111.6 | N80 E81 E82 S86 V87 N88 | N80-E84 PolarHBondContact O-N 3.26Å; E81-E84 PolarHBondContact O-N 3.2Å; E82-E84 VanDerWaalsContact C-N 3.34Å; E82-E84 PolarHBondContact O-N 3.46Å; E84-S86 PolarHBondContact O-N 2.75Å; E84-V87 PolarHBondContact O-N 2.97Å; E84-N88 WeakPolarHBondContact O-CB 3.4Å; E84-N88 VanDerWaalsContact O-CG 3.25Å; E84-N88 PolarHBondContact O-N 2.84Å; E84-N88 PolarHBondContact O-ND2 2.91Å |
| 85 | K | 98.4 | Very high | 98.4 | Very high | 136 Ų | 136 | 102.7 Ų | 102.7 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.6 | -46.5 | 174.7 | -71.2 | 168.7 | -173.7 | 165.7 | 0 | 111.7 | E81 E82 K83 N88 S89 | E81-K85 WeakPolarHBondContact O-CG 3.45Å; E81-K85 PolarHBondContact O-N 3.4Å; E81-K85 VanDerWaalsContact O-N 3.11Å; E82-K85 PolarHBondContact O-N 3.38Å; K83-K85 PolarHBondContact O-N 2.93Å; K85-N88 PolarHBondContact O-N 3.21Å; K85-S89 PolarHBondContact O-N 3.45Å |
| 86 | S | 98.3 | Very high | 98.3 | Very high | 79 Ų | 79 | 101.5 Ų | 101.5 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 178.2 | -65 | 0 | 0 | 0 | 0 | 112.4 | E82 K83 E84 N88 S89 C90 | E82-S86 PolarHBondContact O-N 3.31Å; E82-S86 PolarHBondContact O-OG 3.04Å; K83-S86 PolarHBondContact O-N 3.3Å; E84-S86 PolarHBondContact O-N 2.75Å; S86-N88 VanDerWaalsContact C-N 3.35Å; S86-N88 PolarHBondContact O-N 2.89Å; S86-S89 PolarHBondContact O-N 3.21Å; S86-C90 WeakPolarHBondContact O-CB 3.44Å; S86-C90 PolarHBondContact O-N 3.45Å |
| 87 | V | 98.4 | Very high | 98.3 | Very high | 64 Ų | 64 | 102.3 Ų | 102.3 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 176 | 169 | 0 | 0 | 0 | 0 | 110.7 | K83 E84 S89 C90 Q91 | K83-V87 HydrophobicContact CG-CG2 4.49Å; K83-V87 VanDerWaalsContact O-CG2 3.31Å; K83-V87 WeakPolarHBondContact O-CG2 3.39Å; K83-V87 PolarHBondContact O-N 2.96Å; E84-V87 PolarHBondContact O-N 2.97Å; V87-S89 PolarHBondContact O-N 2.83Å; V87-C90 PolarHBondContact O-N 3.46Å; V87-Q91 WeakPolarHBondContact O-CG 3.29Å; V87-Q91 PolarHBondContact O-N 2.96Å |
| 88 | N | 98.2 | Very high | 98.2 | Very high | 69 Ų | 69 | 102.7 Ų | 102.7 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.9 | -71.2 | -22.9 | 0 | 0 | 0 | 112.3 | E84 K85 S86 K92 | E84-N88 WeakPolarHBondContact O-CB 3.4Å; E84-N88 VanDerWaalsContact O-CG 3.25Å; E84-N88 PolarHBondContact O-N 2.84Å; E84-N88 PolarHBondContact O-ND2 2.91Å; K85-N88 PolarHBondContact O-N 3.21Å; S86-N88 VanDerWaalsContact C-N 3.35Å; S86-N88 PolarHBondContact O-N 2.89Å; N88-K92 WeakPolarHBondContact O-CG 3.31Å; N88-K92 PolarHBondContact O-N 3.34Å; N88-K92 VanDerWaalsContact O-N 3.17Å |
| 89 | S | 98.3 | Very high | 98.2 | Very high | 59 Ų | 59 | 103.1 Ų | 103.1 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 175.4 | -161.9 | 0 | 0 | 0 | 0 | 111.5 | K85 S86 V87 Q91 K92 E93 | K85-S89 PolarHBondContact O-N 3.45Å; S86-S89 PolarHBondContact O-N 3.21Å; V87-S89 PolarHBondContact O-N 2.83Å; S89-Q91 VanDerWaalsContact C-N 3.31Å; S89-Q91 PolarHBondContact O-N 3.36Å; S89-K92 PolarHBondContact O-N 2.97Å; S89-K92 VanDerWaalsContact O-N 3.16Å; S89-E93 PolarHBondContact O-N 2.92Å |
| 90 | C | 98 | Very high | 98.1 | Very high | 76 Ų | 76 | 100.4 Ų | 100.4 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 179 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | S86 V87 K92 E93 Q94 | S86-C90 WeakPolarHBondContact O-CB 3.44Å; S86-C90 PolarHBondContact O-N 3.45Å; V87-C90 PolarHBondContact O-N 3.46Å; C90-K92 PolarHBondContact O-N 3.47Å; C90-E93 PolarHBondContact O-N 2.9Å; C90-Q94 VanDerWaalsContact O-CB 3.31Å; C90-Q94 WeakPolarHBondContact O-CB 3.32Å; C90-Q94 PolarHBondContact O-N 3.15Å |
| 91 | Q | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 102.1 Ų | 102.1 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.6 | -75.5 | -178.8 | -4.6 | 0 | 0 | 112.6 | V87 S89 Q94 Q95 | V87-Q91 WeakPolarHBondContact O-CG 3.29Å; V87-Q91 PolarHBondContact O-N 2.96Å; S89-Q91 VanDerWaalsContact C-N 3.31Å; S89-Q91 PolarHBondContact O-N 3.36Å; Q91-Q94 PolarHBondContact O-N 3.13Å; Q91-Q95 WeakPolarHBondContact O-CG 3.46Å; Q91-Q95 PolarHBondContact O-N 3.49Å |
| 92 | K | 98.1 | Very high | 97.9 | Very high | 151 Ų | 151 | 99.9 Ų | 99.9 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 176.6 | -72.5 | 176.4 | -178.7 | -179.6 | 0 | 111.5 | N88 S89 C90 Q94 Q95 A96 | N88-K92 WeakPolarHBondContact O-CG 3.31Å; N88-K92 PolarHBondContact O-N 3.34Å; N88-K92 VanDerWaalsContact O-N 3.17Å; S89-K92 PolarHBondContact O-N 2.97Å; S89-K92 VanDerWaalsContact O-N 3.16Å; C90-K92 PolarHBondContact O-N 3.47Å; K92-Q94 VanDerWaalsContact C-N 3.32Å; K92-Q94 PolarHBondContact O-N 3.02Å; K92-Q95 PolarHBondContact O-N 3.47Å; K92-A96 PolarHBondContact O-N 3.23Å |
| 93 | E | 97.9 | Very high | 97.8 | Very high | 128 Ų | 128 | 98.4 Ų | 98.4 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.3 | -41.3 | 176 | -74.1 | 176.1 | -170.2 | 0 | 0 | 111.8 | S89 C90 Q95 A96 L97 | S89-E93 PolarHBondContact O-N 2.92Å; C90-E93 PolarHBondContact O-N 2.9Å; E93-Q95 VanDerWaalsContact C-N 3.34Å; E93-Q95 PolarHBondContact O-N 2.93Å; E93-A96 PolarHBondContact O-N 2.88Å; E93-L97 WeakPolarHBondContact O-CB 3.43Å; E93-L97 PolarHBondContact O-N 2.96Å |
| 94 | Q | 98.1 | Very high | 97.6 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 177 | -168.2 | -174.3 | 22.3 | 0 | 0 | 112 | C90 Q91 K92 K98 | C90-Q94 VanDerWaalsContact O-CB 3.31Å; C90-Q94 WeakPolarHBondContact O-CB 3.32Å; C90-Q94 PolarHBondContact O-N 3.15Å; Q91-Q94 PolarHBondContact O-N 3.13Å; K92-Q94 VanDerWaalsContact C-N 3.32Å; K92-Q94 PolarHBondContact O-N 3.02Å; Q94-K98 WeakPolarHBondContact O-CG 3.44Å; Q94-K98 PolarHBondContact O-N 3.37Å; Q94-K98 VanDerWaalsContact O-N 3.08Å |
| 95 | Q | 98.1 | Very high | 97.4 | Very high | 124 Ų | 124 | 97.1 Ų | 97.1 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -46.2 | 174.8 | -73.5 | 179.6 | 8.7 | 0 | 0 | 111.6 | Q91 K92 E93 L97 K98 L99 | Q91-Q95 WeakPolarHBondContact O-CG 3.46Å; Q91-Q95 PolarHBondContact O-N 3.49Å; K92-Q95 PolarHBondContact O-N 3.47Å; E93-Q95 VanDerWaalsContact C-N 3.34Å; E93-Q95 PolarHBondContact O-N 2.93Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 2.77Å; Q95-K98 PolarHBondContact O-N 2.92Å; Q95-L99 WeakPolarHBondContact O-CG 3.47Å; Q95-L99 PolarHBondContact O-N 2.91Å |
| 96 | A | 97.8 | Very high | 97.1 | Very high | 60 Ų | 60 | 96.8 Ų | 96.8 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K92 E93 K98 L99 S100 | K92-A96 PolarHBondContact O-N 3.23Å; E93-A96 PolarHBondContact O-N 2.88Å; A96-K98 PolarHBondContact O-N 3.49Å; A96-L99 PolarHBondContact O-N 3.27Å; A96-S100 WeakPolarHBondContact O-CB 3.35Å; A96-S100 PolarHBondContact O-N 3.3Å |
| 97 | L | 97.8 | Very high | 96.8 | Very high | 94 Ų | 94 | 97.6 Ų | 97.6 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.9 | -175.8 | 65.9 | 0 | 0 | 0 | 112.3 | E93 Q95 S100 K101 | E93-L97 WeakPolarHBondContact O-CB 3.43Å; E93-L97 PolarHBondContact O-N 2.96Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 2.77Å; L97-S100 PolarHBondContact O-N 2.94Å; L97-K101 WeakPolarHBondContact O-CG 3.43Å; L97-K101 PolarHBondContact O-N 3.49Å |
| 98 | K | 97.6 | Very high | 96.4 | Very high | 132 Ų | 132 | 100.7 Ų | 100.7 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.5 | -44.6 | 176 | -75.8 | 173.8 | -179 | 178.7 | 0 | 111.6 | Q94 Q95 A96 K101 C102 | Q94-K98 WeakPolarHBondContact O-CG 3.44Å; Q94-K98 PolarHBondContact O-N 3.37Å; Q94-K98 VanDerWaalsContact O-N 3.08Å; Q95-K98 PolarHBondContact O-N 2.92Å; A96-K98 PolarHBondContact O-N 3.49Å; K98-K101 PolarHBondContact O-N 3.44Å; K98-C102 PolarHBondContact O-N 3.38Å |
| 99 | L | 97.4 | Very high | 95.9 | Very high | 128 Ų | 128 | 105.7 Ų | 105.7 | 67% | 0.67 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.9 | -44.7 | 178.1 | -69.9 | 172.5 | 0 | 0 | 0 | 111.7 | Q95 A96 K101 C102 S103 | Q95-L99 WeakPolarHBondContact O-CG 3.47Å; Q95-L99 PolarHBondContact O-N 2.91Å; A96-L99 PolarHBondContact O-N 3.27Å; L99-K101 PolarHBondContact O-N 2.89Å; L99-C102 PolarHBondContact O-N 3.34Å; L99-S103 PolarHBondContact O-N 3.4Å |
| 100 | S | 97 | Very high | 94.6 | Very high | 72 Ų | 72 | 109.4 Ų | 109.4 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.5 | -46.3 | 176.1 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | A96 L97 C102 S103 Q104 | A96-S100 WeakPolarHBondContact O-CB 3.35Å; A96-S100 PolarHBondContact O-N 3.3Å; L97-S100 PolarHBondContact O-N 2.94Å; S100-C102 PolarHBondContact O-N 2.81Å; S100-S103 PolarHBondContact O-N 2.94Å; S100-Q104 WeakPolarHBondContact O-CB 3.24Å; S100-Q104 PolarHBondContact O-N 3.12Å |
| 101 | K | 96.8 | Very high | 94.4 | Very high | 117 Ų | 117 | 111.1 Ų | 111.1 | 51% | 0.509 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.6 | -42.5 | 175.5 | -74.4 | 179.5 | 178.4 | -175.4 | 0 | 112.7 | L97 K98 L99 Q104 N105 | L97-K101 WeakPolarHBondContact O-CG 3.43Å; L97-K101 PolarHBondContact O-N 3.49Å; K98-K101 PolarHBondContact O-N 3.44Å; L99-K101 PolarHBondContact O-N 2.89Å; K101-Q104 PolarHBondContact O-N 3.15Å; K101-N105 VanDerWaalsContact O-CG 3.27Å; K101-N105 PolarHBondContact O-N 3.42Å |
| 102 | C | 96.2 | Very high | 94.2 | Very high | 63 Ų | 63 | 111.6 Ų | 111.6 | 43% | 0.426 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.1 | -46.9 | 178 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | K98 L99 S100 N105 Q106 | K98-C102 PolarHBondContact O-N 3.38Å; L99-C102 PolarHBondContact O-N 3.34Å; S100-C102 PolarHBondContact O-N 2.81Å; C102-N105 PolarHBondContact O-N 3.16Å; C102-Q106 WeakPolarHBondContact O-CG 3.24Å; C102-Q106 PolarHBondContact O-N 3.13Å |
| 103 | S | 95.5 | Very high | 94 | Very high | 66 Ų | 66 | 109.4 Ų | 109.4 | 46% | 0.462 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.7 | -42 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 112 | L99 S100 Q106 T107 | L99-S103 PolarHBondContact O-N 3.4Å; S100-S103 PolarHBondContact O-N 2.94Å; S103-Q106 PolarHBondContact O-N 3.32Å; S103-T107 PolarHBondContact O-N 3Å; S103-T107 PolarHBondContact O-OG1 2.91Å |
| 104 | Q | 94.8 | Very high | 93.7 | Very high | 121 Ų | 121 | 108.3 Ų | 108.3 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62 | -45.6 | 176.4 | -171.2 | 173.4 | 31 | 0 | 0 | 111.8 | S100 K101 T107 L108 | S100-Q104 WeakPolarHBondContact O-CB 3.24Å; S100-Q104 PolarHBondContact O-N 3.12Å; K101-Q104 PolarHBondContact O-N 3.15Å; Q104-T107 PolarHBondContact O-N 3.48Å; Q104-L108 HydrophobicContact CG-CD1 4.47Å; Q104-L108 WeakPolarHBondContact O-CG 3.23Å; Q104-L108 PolarHBondContact O-N 3.1Å; Q104-L108 VanDerWaalsContact O-N 3.12Å |
| 105 | N | 94.8 | Very high | 93.5 | Very high | 97 Ų | 97 | 108.6 Ų | 108.6 | 52% | 0.519 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -42.7 | 176.6 | -70.3 | -9.7 | 0 | 0 | 0 | 111.9 | K101 C102 T107 L108 E109 | K101-N105 VanDerWaalsContact O-CG 3.27Å; K101-N105 PolarHBondContact O-N 3.42Å; C102-N105 PolarHBondContact O-N 3.16Å; N105-T107 PolarHBondContact O-N 3.28Å; N105-L108 PolarHBondContact O-N 3.41Å; N105-L108 VanDerWaalsContact O-N 3.14Å; N105-E109 WeakPolarHBondContact O-CG 3.35Å; N105-E109 PolarHBondContact O-N 3.03Å; N105-E109 VanDerWaalsContact O-N 3.14Å |
| 106 | Q | 91.9 | Very high | 93.2 | Very high | 128 Ų | 128 | 107.6 Ų | 107.6 | 60% | 0.598 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.6 | -36.5 | 175.7 | -75.1 | 172.6 | -10 | 0 | 0 | 112.6 | C102 S103 A110 | C102-Q106 WeakPolarHBondContact O-CG 3.24Å; C102-Q106 PolarHBondContact O-N 3.13Å; S103-Q106 PolarHBondContact O-N 3.32Å; Q106-A110 PolarHBondContact O-N 3.39Å |
| 107 | T | 92.3 | Very high | 92.8 | Very high | 96 Ų | 96 | 111 Ų | 111 | 59% | 0.589 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.4 | -32.7 | 177.4 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | S103 Q104 N105 | S103-T107 PolarHBondContact O-N 3Å; S103-T107 PolarHBondContact O-OG1 2.91Å; Q104-T107 PolarHBondContact O-N 3.48Å; N105-T107 PolarHBondContact O-N 3.28Å |
| 108 | L | 90.5 | Very high | 92.4 | Very high | 129 Ų | 129 | 112.3 Ų | 112.3 | 68% | 0.675 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.5 | -26.2 | 178.5 | -71.3 | 169.3 | 0 | 0 | 0 | 113.1 | Q104 N105 | Q104-L108 HydrophobicContact CG-CD1 4.47Å; Q104-L108 WeakPolarHBondContact O-CG 3.23Å; Q104-L108 PolarHBondContact O-N 3.1Å; Q104-L108 VanDerWaalsContact O-N 3.12Å; N105-L108 PolarHBondContact O-N 3.41Å; N105-L108 VanDerWaalsContact O-N 3.14Å |
| 109 | E | 87.7 | Confident | 92 | Very high | 174 Ų | 174 | 110.7 Ų | 110.7 | 81% | 0.813 | 62% | 0.622 | S | S | * | * | trans | -89.3 | -4.9 | 179 | -62.8 | -73.8 | 162.9 | 0 | 0 | 113.3 | N105 | N105-E109 WeakPolarHBondContact O-CG 3.35Å; N105-E109 PolarHBondContact O-N 3.03Å; N105-E109 VanDerWaalsContact O-N 3.14Å | ||
| 110 | A | 69.2 | Low | 91.5 | Very high | 137 Ų | 137 | 109.1 Ų | 109.1 | 100% | 1.132 | 62% | 0.617 | S | S | * | * | trans | -98.6 | 0 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q106 | Q106-A110 PolarHBondContact O-N 3.39Š|
Retrieved 110 of 110 residues in 47.5 ms
(Link to these results)