| 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 | 45 | Very low | 60.8 | Low | 240 Ų | 240 | 145.5 Ų | 145.5 | 100% | 1.182 | 82% | 0.824 | S | S | * | * | 0 | 146.2 | 0 | -74.2 | 165.9 | 147.3 | 0 | 0 | 108.3 | |||||
| 2 | S | 59.9 | Low | 61.1 | Low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | 60.5 | 87.5 | 178.3 | 57.5 | 0 | 0 | 0 | 0 | 117.1 | T4 | S2-T4 PolarHBondContact O-N 2.98Š| ||
| 3 | A | 58.7 | Low | 61.5 | Low | 83 Ų | 83 | 143.5 Ų | 143.5 | 69% | 0.686 | 81% | 0.814 | S | S | * | * | trans | -59.8 | 118.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | W5 | A3-W5 PolarHBondContact O-N 3.3Š| ||
| 4 | T | 66 | Low | 61.6 | Low | 141 Ų | 141 | 141 Ų | 141 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 75.2 | 176.6 | -59.4 | 0 | 0 | 0 | 0 | 108.1 | S2 | S2-T4 PolarHBondContact O-N 2.98Š| ||
| 5 | W | 61.3 | Low | 61.5 | Low | 221 Ų | 221 | 139.7 Ų | 139.7 | 84% | 0.837 | 81% | 0.809 | S | S | * | * | trans | -129.1 | 94.3 | 170.4 | -62.1 | 96.4 | 0 | 0 | 0 | 107.6 | A3 | A3-W5 PolarHBondContact O-N 3.3Š| ||
| 6 | T | 62.7 | Low | 61.2 | Low | 140 Ų | 140 | 138.3 Ų | 138.3 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -171.8 | 141 | 146.1 | 8.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 7 | L | 59.5 | Low | 61 | Low | 161 Ų | 161 | 132.2 Ų | 132.2 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 79.7 | 59.9 | 177.8 | -56.5 | 159.6 | 0 | 0 | 0 | 114.2 | P9 | L7-P9 VanDerWaalsContact O-CD 3.22Å; L7-P9 WeakPolarHBondContact O-CD 3.22Å | ||
| 8 | S | 57.5 | Low | 61.1 | Low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -59 | 114.6 | 139 | -175 | 0 | 0 | 0 | 0 | 106.2 | E10 | S8-E10 PolarHBondContact O-N 2.86Š| ||
| 9 | P | 63.9 | Low | 60.9 | Low | 109 Ų | 109 | 129.1 Ų | 129.1 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -64.8 | 108.8 | 175.2 | 25.6 | -30.3 | 0 | 0 | 0 | 107.4 | L7 P11 | L7-P9 VanDerWaalsContact O-CD 3.22Å; L7-P9 WeakPolarHBondContact O-CD 3.22Å; P9-P11 WeakPolarHBondContact O-CD 3.35Å; P9-P11 VanDerWaalsContact O-N 3.13Å | ||
| 10 | E | 66.7 | Low | 60.8 | Low | 171 Ų | 171 | 129.7 Ų | 129.7 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | -50.1 | 118.6 | 162.9 | -171.9 | 98.2 | 89.5 | 0 | 0 | 106.3 | S8 L12 | S8-E10 PolarHBondContact O-N 2.86Å; E10-L12 PolarHBondContact O-N 3Å | ||
| 11 | P | 67.1 | Low | 60.6 | Low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | trans | -61 | 107.9 | 176.5 | -15.3 | 28.2 | 0 | 0 | 0 | 106.1 | P9 | P9-P11 WeakPolarHBondContact O-CD 3.35Å; P9-P11 VanDerWaalsContact O-N 3.13Å | ||
| 12 | L | 65.2 | Low | 61.3 | Low | 161 Ų | 161 | 118.4 Ų | 118.4 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -45.8 | 123.2 | 166.5 | -71.5 | 154.5 | 0 | 0 | 0 | 105.4 | E10 | E10-L12 PolarHBondContact O-N 3Š| ||
| 13 | P | 66.5 | Low | 61.3 | Low | 104 Ų | 104 | 116.1 Ų | 116.1 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | trans | -50.6 | 140.8 | 176.5 | 22.2 | -31.9 | 0 | 0 | 0 | 106.3 | S15 | P13-S15 PolarHBondContact O-N 2.82Š| ||
| 14 | P | 61.7 | Low | 61.5 | Low | 108 Ų | 108 | 117.5 Ų | 117.5 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | -47.1 | 124.9 | 175.9 | 22.7 | -32.6 | 0 | 0 | 0 | 105 | T16 | P14-T16 PolarHBondContact O-N 3.48Å; P14-T16 PolarHBondContact O-OG1 2.69Å | ||
| 15 | S | 60 | Low | 62.1 | Low | 121 Ų | 121 | 116.2 Ų | 116.2 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | trans | -58.1 | 87.8 | 168.3 | -173.9 | 0 | 0 | 0 | 0 | 103.4 | P13 G17 | P13-S15 PolarHBondContact O-N 2.82Å; S15-G17 PolarHBondContact O-N 2.92Å | ||
| 16 | T | 58 | Low | 63.1 | Low | 117 Ų | 117 | 109.3 Ų | 109.3 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | trans | -63.6 | 85.9 | 166.6 | -68.5 | 0 | 0 | 0 | 0 | 100 | P14 | P14-T16 PolarHBondContact O-N 3.48Å; P14-T16 PolarHBondContact O-OG1 2.69Å | ||
| 17 | G | 57.6 | Low | 64.1 | Low | 36 Ų | 36 | 109.4 Ų | 109.4 | 37% | 0.371 | 69% | 0.694 | S | S | . | * | trans | -45.4 | 143.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | S15 P19 | S15-G17 PolarHBondContact O-N 2.92Å; G17-P19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | P | 62.2 | Low | 65.3 | Low | 104 Ų | 104 | 106 Ų | 106 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -42.1 | 128.1 | -178.5 | 19.4 | -32 | 0 | 0 | 0 | 107 | V20 | P18-V20 WeakPolarHBondContact O-CG2 3.5Å; P18-V20 PolarHBondContact O-N 3.43Å |
| 19 | P | 57.6 | Low | 66.8 | Low | 100 Ų | 100 | 109.4 Ų | 109.4 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | trans | -57.7 | 87.5 | -167.4 | 22.4 | -34.2 | 0 | 0 | 0 | 109.8 | G17 G21 A22 | G17-P19 VanDerWaalsContact O-N 3.07Å; P19-G21 PolarHBondContact O-N 3.05Å; P19-A22 HydrophobicContact CB-CB 4.07Å; P19-A22 PolarHBondContact O-N 2.58Å | ||
| 20 | V | 58.8 | Low | 68.1 | Low | 142 Ų | 142 | 108.2 Ų | 108.2 | 86% | 0.861 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -11.3 | -173.5 | -179 | 0 | 0 | 0 | 0 | 109.7 | P18 | P18-V20 WeakPolarHBondContact O-CG2 3.5Å; P18-V20 PolarHBondContact O-N 3.43Å |
| 21 | G | 56.7 | Low | 69.4 | Low | 70 Ų | 70 | 103.7 Ų | 103.7 | 72% | 0.722 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | 26.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P19 G23 | P19-G21 PolarHBondContact O-N 3.05Å; G21-G23 PolarHBondContact O-N 2.57Å |
| 22 | A | 60 | Low | 70.7 | Confident | 63 Ų | 63 | 104.1 Ų | 104.1 | 52% | 0.521 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -63.8 | 96.9 | 161 | 0 | 0 | 0 | 0 | 0 | 105.9 | P19 L24 | P19-A22 HydrophobicContact CB-CB 4.07Å; P19-A22 PolarHBondContact O-N 2.58Å; A22-L24 PolarHBondContact O-N 2.91Å; A22-L24 VanDerWaalsContact O-N 3.13Å |
| 23 | G | 59.5 | Low | 72.1 | Confident | 62 Ų | 62 | 99.2 Ų | 99.2 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | trans | -45.9 | 124.8 | -176 | 0 | 0 | 0 | 0 | 0 | 108.3 | G21 D25 | G21-G23 PolarHBondContact O-N 2.57Å; G23-D25 PolarHBondContact O-N 3.13Å | ||
| 24 | L | 63.9 | Low | 73.5 | Confident | 113 Ų | 113 | 100.6 Ų | 100.6 | 59% | 0.592 | 61% | 0.613 | S | S | * | * | trans | -34.6 | 110.3 | -174 | -55.9 | 173.2 | 0 | 0 | 0 | 109.2 | A22 A26 Q28 | A22-L24 PolarHBondContact O-N 2.91Å; A22-L24 VanDerWaalsContact O-N 3.13Å; L24-A26 PolarHBondContact O-N 3.47Å; L24-Q28 HydrophobicContact CD2-CG 4.35Å | ||
| 25 | D | 77.8 | Confident | 75.2 | Confident | 113 Ų | 113 | 99.2 Ų | 99.2 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | trans | -49.4 | 146.1 | -179.3 | -68.5 | -56.5 | 0 | 0 | 0 | 108.4 | G23 E27 Q28 R29 | G23-D25 PolarHBondContact O-N 3.13Å; D25-E27 CarbonylContact O-C 3.59Å; D25-E27 PolarHBondContact O-N 3.09Å; D25-Q28 HydrophobicContact CB-CB 4.49Å; D25-Q28 WeakPolarHBondContact O-CA 3.4Å; D25-Q28 WeakPolarHBondContact O-CB 3.47Å; D25-Q28 PolarHBondContact O-N 3.17Å; D25-R29 PolarHBondContact O-N 3.34Å; D25-R29 VanDerWaalsContact O-N 3.09Å | ||
| 26 | A | 81.5 | Confident | 77 | Confident | 76 Ų | 76 | 98.8 Ų | 98.8 | 63% | 0.628 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -49.6 | -36.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L24 R29 T30 | L24-A26 PolarHBondContact O-N 3.47Å; A26-R29 PolarHBondContact O-N 3Å; A26-T30 WeakPolarHBondContact O-CG2 3.04Å; A26-T30 PolarHBondContact O-N 2.81Å; A26-T30 VanDerWaalsContact O-N 3.17Å |
| 27 | E | 83.6 | Confident | 78.8 | Confident | 143 Ų | 143 | 96.7 Ų | 96.7 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.2 | -48.8 | 172 | -56.3 | -53.2 | 139.2 | 0 | 0 | 113.4 | D25 R29 T30 V31 | D25-E27 CarbonylContact O-C 3.59Å; D25-E27 PolarHBondContact O-N 3.09Å; E27-R29 VanDerWaalsContact C-N 3.26Å; E27-R29 PolarHBondContact O-N 3.04Å; E27-T30 PolarHBondContact O-N 3.37Å; E27-T30 PolarHBondContact O-OG1 3.42Å; E27-V31 VanDerWaalsContact O-CG2 3.31Å; E27-V31 WeakPolarHBondContact O-CG2 3.14Å; E27-V31 PolarHBondContact O-N 2.81Å |
| 28 | Q | 85.9 | Confident | 80.8 | Confident | 89 Ų | 89 | 99.1 Ų | 99.1 | 42% | 0.416 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.1 | -37 | 179.6 | -173.2 | 76.6 | -23.7 | 0 | 0 | 111 | L24 D25 V31 F32 | L24-Q28 HydrophobicContact CD2-CG 4.35Å; D25-Q28 HydrophobicContact CB-CB 4.49Å; D25-Q28 WeakPolarHBondContact O-CA 3.4Å; D25-Q28 WeakPolarHBondContact O-CB 3.47Å; D25-Q28 PolarHBondContact O-N 3.17Å; Q28-V31 PolarHBondContact O-N 3.26Å; Q28-F32 HydrophobicContact CG-CD2 3.8Å; Q28-F32 HydrophobicContact CG-CE2 3.46Å; Q28-F32 VanDerWaalsContact CG-CE2 3.46Å; Q28-F32 WeakPolarHBondContact O-CD2 3.31Å; Q28-F32 PolarHBondContact O-N 3.31Å |
| 29 | R | 88.7 | Confident | 82.5 | Confident | 187 Ų | 187 | 98.9 Ų | 98.9 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.8 | -38.3 | 179 | -160.1 | 171.4 | -175.2 | -178.4 | 0.4 | 112.1 | D25 A26 E27 A33 | D25-R29 PolarHBondContact O-N 3.34Å; D25-R29 VanDerWaalsContact O-N 3.09Å; A26-R29 PolarHBondContact O-N 3Å; E27-R29 VanDerWaalsContact C-N 3.26Å; E27-R29 PolarHBondContact O-N 3.04Å; R29-A33 WeakPolarHBondContact O-CB 3.24Å; R29-A33 PolarHBondContact O-N 2.81Å |
| 30 | T | 92 | Very high | 84.4 | Confident | 84 Ų | 84 | 97.6 Ų | 97.6 | 52% | 0.515 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.7 | -37.9 | 175 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | A26 E27 A33 F34 | A26-T30 WeakPolarHBondContact O-CG2 3.04Å; A26-T30 PolarHBondContact O-N 2.81Å; A26-T30 VanDerWaalsContact O-N 3.17Å; E27-T30 PolarHBondContact O-N 3.37Å; E27-T30 PolarHBondContact O-OG1 3.42Å; T30-A33 PolarHBondContact O-N 2.92Å; T30-F34 VanDerWaalsContact O-CB 3.3Å; T30-F34 WeakPolarHBondContact O-CB 3.38Å; T30-F34 PolarHBondContact O-N 3.03Å |
| 31 | V | 93.1 | Very high | 86.2 | Confident | 76 Ų | 76 | 94 Ų | 94 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 174.1 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | E27 Q28 A33 F34 V35 | E27-V31 VanDerWaalsContact O-CG2 3.31Å; E27-V31 WeakPolarHBondContact O-CG2 3.14Å; E27-V31 PolarHBondContact O-N 2.81Å; Q28-V31 PolarHBondContact O-N 3.26Å; V31-A33 VanDerWaalsContact C-N 3.33Å; V31-A33 PolarHBondContact O-N 3.44Å; V31-F34 PolarHBondContact O-N 3.49Å; V31-V35 HydrophobicContact CG1-CG2 4.33Å; V31-V35 VanDerWaalsContact O-CG2 3.31Å; V31-V35 WeakPolarHBondContact O-CG2 3.3Å; V31-V35 PolarHBondContact O-N 3.22Å |
| 32 | F | 94.1 | Very high | 88.1 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 176.4 | -79.4 | -60.6 | 0 | 0 | 0 | 112.3 | Q28 F34 V35 L36 | Q28-F32 HydrophobicContact CG-CD2 3.8Å; Q28-F32 HydrophobicContact CG-CE2 3.46Å; Q28-F32 VanDerWaalsContact CG-CE2 3.46Å; Q28-F32 WeakPolarHBondContact O-CD2 3.31Å; Q28-F32 PolarHBondContact O-N 3.31Å; F32-F34 VanDerWaalsContact C-N 3.33Å; F32-F34 PolarHBondContact O-N 3.32Å; F32-V35 PolarHBondContact O-N 2.96Å; F32-L36 VanDerWaalsContact O-CB 3.24Å; F32-L36 WeakPolarHBondContact O-CB 3.22Å; F32-L36 PolarHBondContact O-N 2.89Å |
| 33 | A | 94.7 | Very high | 89.9 | Confident | 59 Ų | 59 | 97.1 Ų | 97.1 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | R29 T30 V31 C37 | R29-A33 WeakPolarHBondContact O-CB 3.24Å; R29-A33 PolarHBondContact O-N 2.81Å; T30-A33 PolarHBondContact O-N 2.92Å; V31-A33 VanDerWaalsContact C-N 3.33Å; V31-A33 PolarHBondContact O-N 3.44Å; A33-C37 VanDerWaalsContact O-CB 3.22Å; A33-C37 WeakPolarHBondContact O-CB 3.37Å; A33-C37 PolarHBondContact O-N 3.21Å |
| 34 | F | 96.9 | Very high | 91.6 | Very high | 132 Ų | 132 | 98.6 Ų | 98.6 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.9 | -48.3 | 178 | -175.8 | -108.9 | 0 | 0 | 0 | 111.7 | T30 V31 F32 L36 C37 L38 | T30-F34 VanDerWaalsContact O-CB 3.3Å; T30-F34 WeakPolarHBondContact O-CB 3.38Å; T30-F34 PolarHBondContact O-N 3.03Å; V31-F34 PolarHBondContact O-N 3.49Å; F32-F34 VanDerWaalsContact C-N 3.33Å; F32-F34 PolarHBondContact O-N 3.32Å; F34-L36 VanDerWaalsContact C-N 3.34Å; F34-L36 PolarHBondContact O-N 2.87Å; F34-C37 WeakPolarHBondContact O-CB 3.31Å; F34-C37 PolarHBondContact O-N 3.3Å; F34-L38 HydrophobicContact CD1-CD1 3.94Å; F34-L38 HydrophobicContact CD1-CG 4.36Å; F34-L38 HydrophobicContact CE1-CD1 3.43Å; F34-L38 VanDerWaalsContact CE1-CD1 3.43Å; F34-L38 HydrophobicContact CE1-CG 4.07Å; F34-L38 HydrophobicContact CE2-CD2 4.33Å; F34-L38 HydrophobicContact CE2-CG 4.38Å; F34-L38 HydrophobicContact CZ-CD1 3.78Å; F34-L38 HydrophobicContact CZ-CD2 4.13Å; F34-L38 HydrophobicContact CZ-CG 4.08Å; F34-L38 WeakPolarHBondContact O-CG 3.43Å; F34-L38 PolarHBondContact O-N 3.48Å |
| 35 | V | 97.4 | Very high | 93 | Very high | 79 Ų | 79 | 97.7 Ų | 97.7 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 176.7 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | V31 F32 L38 L39 | V31-V35 HydrophobicContact CG1-CG2 4.33Å; V31-V35 VanDerWaalsContact O-CG2 3.31Å; V31-V35 WeakPolarHBondContact O-CG2 3.3Å; V31-V35 PolarHBondContact O-N 3.22Å; F32-V35 PolarHBondContact O-N 2.96Å; V35-L38 PolarHBondContact O-N 2.89Å; V35-L39 WeakPolarHBondContact O-CB 3.37Å; V35-L39 PolarHBondContact O-N 3.26Å |
| 36 | L | 96.9 | Very high | 93.7 | Very high | 112 Ų | 112 | 98 Ų | 98 | 59% | 0.586 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 176.9 | -177.2 | 65 | 0 | 0 | 0 | 111.5 | F32 F34 L39 V40 | F32-L36 VanDerWaalsContact O-CB 3.24Å; F32-L36 WeakPolarHBondContact O-CB 3.22Å; F32-L36 PolarHBondContact O-N 2.89Å; F34-L36 VanDerWaalsContact C-N 3.34Å; F34-L36 PolarHBondContact O-N 2.87Å; L36-L39 PolarHBondContact O-N 2.87Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 3.29Å |
| 37 | C | 96.9 | Very high | 94.3 | Very high | 73 Ų | 73 | 97.1 Ų | 97.1 | 49% | 0.493 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 176 | -176 | 0 | 0 | 0 | 0 | 111.3 | A33 F34 L39 V40 V41 | A33-C37 VanDerWaalsContact O-CB 3.22Å; A33-C37 WeakPolarHBondContact O-CB 3.37Å; A33-C37 PolarHBondContact O-N 3.21Å; F34-C37 WeakPolarHBondContact O-CB 3.31Å; F34-C37 PolarHBondContact O-N 3.3Å; C37-L39 VanDerWaalsContact C-N 3.31Å; C37-L39 PolarHBondContact O-N 3.44Å; C37-V40 PolarHBondContact O-N 3.44Å; C37-V41 WeakPolarHBondContact O-CG2 3.17Å; C37-V41 PolarHBondContact O-N 2.95Å |
| 38 | L | 98 | Very high | 94.6 | Very high | 88 Ų | 88 | 98.6 Ų | 98.6 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 176.7 | -70.2 | -174.3 | 0 | 0 | 0 | 112.1 | F34 V35 V41 L42 | F34-L38 HydrophobicContact CD1-CD1 3.94Å; F34-L38 HydrophobicContact CD1-CG 4.36Å; F34-L38 HydrophobicContact CE1-CD1 3.43Å; F34-L38 VanDerWaalsContact CE1-CD1 3.43Å; F34-L38 HydrophobicContact CE1-CG 4.07Å; F34-L38 HydrophobicContact CE2-CD2 4.33Å; F34-L38 HydrophobicContact CE2-CG 4.38Å; F34-L38 HydrophobicContact CZ-CD1 3.78Å; F34-L38 HydrophobicContact CZ-CD2 4.13Å; F34-L38 HydrophobicContact CZ-CG 4.08Å; F34-L38 WeakPolarHBondContact O-CG 3.43Å; F34-L38 PolarHBondContact O-N 3.48Å; V35-L38 PolarHBondContact O-N 2.89Å; L38-V41 PolarHBondContact O-N 3.36Å; L38-L42 WeakPolarHBondContact O-CB 3.29Å; L38-L42 PolarHBondContact O-N 2.98Å |
| 39 | L | 98 | Very high | 94.7 | Very high | 99 Ų | 99 | 97.2 Ų | 97.2 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.9 | -163.2 | 159.4 | 0 | 0 | 0 | 111 | V35 L36 C37 L42 V43 | V35-L39 WeakPolarHBondContact O-CB 3.37Å; V35-L39 PolarHBondContact O-N 3.26Å; L36-L39 PolarHBondContact O-N 2.87Å; C37-L39 VanDerWaalsContact C-N 3.31Å; C37-L39 PolarHBondContact O-N 3.44Å; L39-L42 WeakPolarHBondContact O-CB 3.44Å; L39-L42 PolarHBondContact O-N 2.94Å; L39-V43 HydrophobicContact CD2-CG2 4.1Å; L39-V43 WeakPolarHBondContact O-CG2 3.38Å; L39-V43 PolarHBondContact O-N 3.33Å |
| 40 | V | 97.8 | Very high | 94.4 | Very high | 73 Ų | 73 | 91 Ų | 91 | 44% | 0.442 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 175.9 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L36 C37 L42 V43 L44 | L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 3.29Å; C37-V40 PolarHBondContact O-N 3.44Å; V40-L42 VanDerWaalsContact C-N 3.31Å; V40-L42 PolarHBondContact O-N 2.87Å; V40-V43 PolarHBondContact O-N 2.78Å; V40-L44 HydrophobicContact CG1-CD1 3.98Å; V40-L44 HydrophobicContact CG1-CG 4.36Å; V40-L44 WeakPolarHBondContact O-CB 3.48Å; V40-L44 VanDerWaalsContact O-CG 3.29Å; V40-L44 WeakPolarHBondContact O-CG 3.36Å; V40-L44 PolarHBondContact O-N 3.39Å |
| 41 | V | 96.7 | Very high | 94.2 | Very high | 66 Ų | 66 | 95.5 Ų | 95.5 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | C37 L38 V43 L44 L45 | C37-V41 WeakPolarHBondContact O-CG2 3.17Å; C37-V41 PolarHBondContact O-N 2.95Å; L38-V41 PolarHBondContact O-N 3.36Å; V41-V43 PolarHBondContact O-N 3.3Å; V41-L44 PolarHBondContact O-N 3.48Å; V41-L45 HydrophobicContact CG1-CD1 3.93Å; V41-L45 HydrophobicContact CG1-CG 4.11Å; V41-L45 WeakPolarHBondContact O-CB 3.12Å; V41-L45 VanDerWaalsContact O-CG 3.26Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 3.35Å |
| 42 | L | 97.1 | Very high | 93.7 | Very high | 120 Ų | 120 | 97.4 Ų | 97.4 | 63% | 0.628 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.3 | -47.5 | 176.8 | -176.4 | 71.8 | 0 | 0 | 0 | 111.3 | L38 L39 V40 L45 M46 | L38-L42 WeakPolarHBondContact O-CB 3.29Å; L38-L42 PolarHBondContact O-N 2.98Å; L39-L42 WeakPolarHBondContact O-CB 3.44Å; L39-L42 PolarHBondContact O-N 2.94Å; V40-L42 VanDerWaalsContact C-N 3.31Å; V40-L42 PolarHBondContact O-N 2.87Å; L42-L45 PolarHBondContact O-N 2.82Å; L42-M46 WeakPolarHBondContact O-CB 3.22Å; L42-M46 PolarHBondContact O-N 2.79Å |
| 43 | V | 97.3 | Very high | 92.8 | Very high | 79 Ų | 79 | 96.1 Ų | 96.1 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 177.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | L39 V40 V41 M46 V47 | L39-V43 HydrophobicContact CD2-CG2 4.1Å; L39-V43 WeakPolarHBondContact O-CG2 3.38Å; L39-V43 PolarHBondContact O-N 3.33Å; V40-V43 PolarHBondContact O-N 2.78Å; V41-V43 PolarHBondContact O-N 3.3Å; V43-M46 PolarHBondContact O-N 2.88Å; V43-V47 HydrophobicContact CG1-CG2 4.47Å; V43-V47 WeakPolarHBondContact O-CG2 3.26Å; V43-V47 PolarHBondContact O-N 3.22Å |
| 44 | L | 95.7 | Very high | 91.6 | Very high | 93 Ų | 93 | 98.9 Ų | 98.9 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 176.3 | -72.7 | 175.5 | 0 | 0 | 0 | 111.7 | V40 V41 V47 R48 | V40-L44 HydrophobicContact CG1-CD1 3.98Å; V40-L44 HydrophobicContact CG1-CG 4.36Å; V40-L44 WeakPolarHBondContact O-CB 3.48Å; V40-L44 VanDerWaalsContact O-CG 3.29Å; V40-L44 WeakPolarHBondContact O-CG 3.36Å; V40-L44 PolarHBondContact O-N 3.39Å; V41-L44 PolarHBondContact O-N 3.48Å; L44-V47 PolarHBondContact O-N 2.78Å; L44-R48 WeakPolarHBondContact O-CB 3.39Å; L44-R48 WeakPolarHBondContact O-CG 3.43Å; L44-R48 PolarHBondContact O-N 3.36Å |
| 45 | L | 92.7 | Very high | 90.6 | Very high | 94 Ų | 94 | 98.1 Ų | 98.1 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 173.9 | -71.5 | -179 | 0 | 0 | 0 | 110.4 | V41 L42 V47 R48 C49 | V41-L45 HydrophobicContact CG1-CD1 3.93Å; V41-L45 HydrophobicContact CG1-CG 4.11Å; V41-L45 WeakPolarHBondContact O-CB 3.12Å; V41-L45 VanDerWaalsContact O-CG 3.26Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 3.35Å; L42-L45 PolarHBondContact O-N 2.82Å; L45-V47 PolarHBondContact O-N 3.39Å; L45-R48 PolarHBondContact O-N 3.44Å; L45-C49 WeakPolarHBondContact O-CA 3.39Å; L45-C49 WeakPolarHBondContact O-CB 3.35Å; L45-C49 PolarHBondContact O-N 3.49Å; L45-C49 PolarHBondContact O-SG 2.8Å |
| 46 | M | 92.8 | Very high | 88.7 | Confident | 119 Ų | 119 | 96.9 Ų | 96.9 | 59% | 0.586 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -48.5 | 177 | -148 | -67.1 | 163.9 | 0 | 0 | 110.9 | L42 V43 C49 V50 | L42-M46 WeakPolarHBondContact O-CB 3.22Å; L42-M46 PolarHBondContact O-N 2.79Å; V43-M46 PolarHBondContact O-N 2.88Å; M46-C49 PolarHBondContact O-N 3.47Å; M46-V50 HydrophobicContact CE-CG2 3.76Å; M46-V50 WeakPolarHBondContact O-CB 3.12Å; M46-V50 VanDerWaalsContact O-CG2 3.31Å; M46-V50 WeakPolarHBondContact O-CG2 3.07Å; M46-V50 PolarHBondContact O-N 2.78Å; M46-V50 HydrophobicContact SD-CG2 3.39Å; M46-V50 WeakPolarHBondContact SD-CG2 3.34Å |
| 47 | V | 93.7 | Very high | 86.6 | Confident | 58 Ų | 58 | 97.8 Ų | 97.8 | 35% | 0.352 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 177 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | V43 L44 L45 V50 R51 | V43-V47 HydrophobicContact CG1-CG2 4.47Å; V43-V47 WeakPolarHBondContact O-CG2 3.26Å; V43-V47 PolarHBondContact O-N 3.22Å; L44-V47 PolarHBondContact O-N 2.78Å; L45-V47 PolarHBondContact O-N 3.39Å; V47-V50 PolarHBondContact O-N 2.92Å; V47-R51 WeakPolarHBondContact O-CB 3.45Å; V47-R51 WeakPolarHBondContact O-CG 3.16Å; V47-R51 PolarHBondContact O-N 3.07Å |
| 48 | R | 89.6 | Confident | 84.8 | Confident | 173 Ų | 173 | 98.7 Ų | 98.7 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | 175.7 | -74.9 | -114.5 | 178.8 | 87.6 | -2.5 | 110.7 | L44 L45 R51 I52 | L44-R48 WeakPolarHBondContact O-CB 3.39Å; L44-R48 WeakPolarHBondContact O-CG 3.43Å; L44-R48 PolarHBondContact O-N 3.36Å; L45-R48 PolarHBondContact O-N 3.44Å; R48-R51 PolarHBondContact O-N 2.8Å; R48-I52 VanDerWaalsContact O-CB 3.29Å; R48-I52 WeakPolarHBondContact O-CB 3.24Å; R48-I52 WeakPolarHBondContact O-CG2 3.45Å; R48-I52 PolarHBondContact O-N 2.93Å |
| 49 | C | 87.8 | Confident | 82.8 | Confident | 60 Ų | 60 | 104.6 Ų | 104.6 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 176.7 | -74 | 0 | 0 | 0 | 0 | 111 | L45 M46 I52 L53 | L45-C49 WeakPolarHBondContact O-CA 3.39Å; L45-C49 WeakPolarHBondContact O-CB 3.35Å; L45-C49 PolarHBondContact O-N 3.49Å; L45-C49 PolarHBondContact O-SG 2.8Å; M46-C49 PolarHBondContact O-N 3.47Å; C49-I52 WeakPolarHBondContact O-CG2 3.29Å; C49-L53 WeakPolarHBondContact O-CA 3.43Å; C49-L53 WeakPolarHBondContact O-CB 2.86Å; C49-L53 WeakPolarHBondContact O-CG 3.11Å; C49-L53 PolarHBondContact O-N 3.07Å |
| 50 | V | 84.1 | Confident | 80.7 | Confident | 56 Ų | 56 | 106.4 Ų | 106.4 | 34% | 0.339 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 177.3 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | M46 V47 L53 L54 | M46-V50 HydrophobicContact CE-CG2 3.76Å; M46-V50 WeakPolarHBondContact O-CB 3.12Å; M46-V50 VanDerWaalsContact O-CG2 3.31Å; M46-V50 WeakPolarHBondContact O-CG2 3.07Å; M46-V50 PolarHBondContact O-N 2.78Å; M46-V50 HydrophobicContact SD-CG2 3.39Å; M46-V50 WeakPolarHBondContact SD-CG2 3.34Å; V47-V50 PolarHBondContact O-N 2.92Å; V50-L53 PolarHBondContact O-N 3.35Å; V50-L54 HydrophobicContact CG1-CD1 3.5Å; V50-L54 HydrophobicContact CG1-CG 4.19Å; V50-L54 VanDerWaalsContact O-CB 3.24Å; V50-L54 WeakPolarHBondContact O-CB 2.78Å; V50-L54 WeakPolarHBondContact O-CG 3.11Å; V50-L54 PolarHBondContact O-N 2.71Å |
| 51 | R | 86.2 | Confident | 78.6 | Confident | 179 Ų | 179 | 108.8 Ų | 108.8 | 68% | 0.675 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.4 | -46.8 | 177.2 | -73.3 | -163.1 | -175.1 | 114.3 | 1.4 | 112.6 | V47 R48 L53 L54 D55 | V47-R51 WeakPolarHBondContact O-CB 3.45Å; V47-R51 WeakPolarHBondContact O-CG 3.16Å; V47-R51 PolarHBondContact O-N 3.07Å; R48-R51 PolarHBondContact O-N 2.8Å; R51-L53 VanDerWaalsContact C-N 3.28Å; R51-L53 PolarHBondContact O-N 3.48Å; R51-L54 PolarHBondContact O-N 3Å; R51-D55 VanDerWaalsContact O-CB 3.23Å; R51-D55 WeakPolarHBondContact O-CB 3.48Å; R51-D55 PolarHBondContact O-N 3.48Å |
| 52 | I | 82.8 | Confident | 76.7 | Confident | 117 Ų | 117 | 107.8 Ų | 107.8 | 60% | 0.6 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -75.3 | -16.6 | 179.4 | -158.4 | 173.7 | 0 | 0 | 0 | 112.6 | R48 C49 P56 | R48-I52 VanDerWaalsContact O-CB 3.29Å; R48-I52 WeakPolarHBondContact O-CB 3.24Å; R48-I52 WeakPolarHBondContact O-CG2 3.45Å; R48-I52 PolarHBondContact O-N 2.93Å; C49-I52 WeakPolarHBondContact O-CG2 3.29Å; I52-P56 WeakPolarHBondContact O-CD 2.84Å; I52-P56 WeakPolarHBondContact O-CG 3.31Å |
| 53 | L | 75.7 | Confident | 74.9 | Confident | 90 Ų | 90 | 107.3 Ų | 107.3 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -79.5 | -59 | 164.8 | -73.3 | 170.3 | 0 | 0 | 0 | 107.6 | C49 V50 R51 D55 P56 Y57 | C49-L53 WeakPolarHBondContact O-CA 3.43Å; C49-L53 WeakPolarHBondContact O-CB 2.86Å; C49-L53 WeakPolarHBondContact O-CG 3.11Å; C49-L53 PolarHBondContact O-N 3.07Å; V50-L53 PolarHBondContact O-N 3.35Å; R51-L53 VanDerWaalsContact C-N 3.28Å; R51-L53 PolarHBondContact O-N 3.48Å; L53-D55 VanDerWaalsContact C-N 3.26Å; L53-D55 PolarHBondContact O-N 2.76Å; L53-D55 VanDerWaalsContact O-N 3.07Å; L53-P56 WeakPolarHBondContact O-CD 3.47Å; L53-Y57 HydrophobicContact CD2-CD2 3.76Å; L53-Y57 HydrophobicContact CD2-CE2 4.02Å; L53-Y57 VanDerWaalsContact O-CA 3.32Å; L53-Y57 WeakPolarHBondContact O-CA 3.23Å; L53-Y57 WeakPolarHBondContact O-CB 3.31Å; L53-Y57 PolarHBondContact O-N 2.81Å |
| 54 | L | 70.1 | Confident | 73 | Confident | 117 Ų | 117 | 106.3 Ų | 106.3 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -57.5 | -33.9 | -174.3 | -68.4 | 172.2 | 0 | 0 | 0 | 114.6 | V50 R51 S58 | V50-L54 HydrophobicContact CG1-CD1 3.5Å; V50-L54 HydrophobicContact CG1-CG 4.19Å; V50-L54 VanDerWaalsContact O-CB 3.24Å; V50-L54 WeakPolarHBondContact O-CB 2.78Å; V50-L54 WeakPolarHBondContact O-CG 3.11Å; V50-L54 PolarHBondContact O-N 2.71Å; R51-L54 PolarHBondContact O-N 3Å; L54-S58 VanDerWaalsContact O-CB 3.31Å; L54-S58 WeakPolarHBondContact O-CB 3.32Å; L54-S58 PolarHBondContact O-N 3.43Å; L54-S58 PolarHBondContact O-OG 3.43Å |
| 55 | D | 75.3 | Confident | 71.2 | Confident | 115 Ų | 115 | 111.5 Ų | 111.5 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.5 | -55.1 | -176.8 | -171.5 | 56.2 | 0 | 0 | 0 | 114.2 | R51 L53 S58 | R51-D55 VanDerWaalsContact O-CB 3.23Å; R51-D55 WeakPolarHBondContact O-CB 3.48Å; R51-D55 PolarHBondContact O-N 3.48Å; L53-D55 VanDerWaalsContact C-N 3.26Å; L53-D55 PolarHBondContact O-N 2.76Å; L53-D55 VanDerWaalsContact O-N 3.07Å; D55-S58 PolarHBondContact O-OG 2.74Å |
| 56 | P | 57.9 | Low | 69.5 | Low | 54 Ų | 54 | 110.7 Ų | 110.7 | 35% | 0.351 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -85.8 | -28 | 173.2 | 33.8 | -36.5 | 0 | 0 | 0 | 113.5 | I52 L53 S58 R59 M60 | I52-P56 WeakPolarHBondContact O-CD 2.84Å; I52-P56 WeakPolarHBondContact O-CG 3.31Å; L53-P56 WeakPolarHBondContact O-CD 3.47Å; P56-S58 PolarHBondContact O-N 3.33Å; P56-R59 CarbonylContact O-C 3.57Å; P56-R59 VanDerWaalsContact O-C 3.29Å; P56-R59 WeakPolarHBondContact O-CA 3.23Å; P56-R59 PolarHBondContact O-N 2.81Å; P56-M60 WeakPolarHBondContact O-CA 3.42Å; P56-M60 VanDerWaalsContact O-CB 3.23Å; P56-M60 WeakPolarHBondContact O-CB 2.92Å; P56-M60 PolarHBondContact O-N 3.44Å |
| 57 | Y | 53.1 | Low | 67.7 | Low | 131 Ų | 131 | 108.3 Ų | 108.3 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.5 | -23.9 | -176.8 | -150.4 | -83.2 | 0 | 0 | 0 | 111.6 | L53 R59 M60 A62 | L53-Y57 HydrophobicContact CD2-CD2 3.76Å; L53-Y57 HydrophobicContact CD2-CE2 4.02Å; L53-Y57 VanDerWaalsContact O-CA 3.32Å; L53-Y57 WeakPolarHBondContact O-CA 3.23Å; L53-Y57 WeakPolarHBondContact O-CB 3.31Å; L53-Y57 PolarHBondContact O-N 2.81Å; Y57-R59 PolarHBondContact O-N 3.34Å; Y57-M60 WeakPolarHBondContact CA-O 3.32Å; Y57-A62 HydrophobicContact CD2-CB 4.43Å; Y57-A62 HydrophobicContact CE1-CB 3.81Å; Y57-A62 HydrophobicContact CE2-CB 3.46Å; Y57-A62 VanDerWaalsContact CE2-CB 3.46Å; Y57-A62 WeakPolarHBondContact OH-CB 3.43Å |
| 58 | S | 57.8 | Low | 66.1 | Low | 92 Ų | 92 | 110.9 Ų | 110.9 | 64% | 0.643 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -15.1 | 165.8 | 58 | 0 | 0 | 0 | 0 | 113 | L54 D55 P56 | L54-S58 VanDerWaalsContact O-CB 3.31Å; L54-S58 WeakPolarHBondContact O-CB 3.32Å; L54-S58 PolarHBondContact O-N 3.43Å; L54-S58 PolarHBondContact O-OG 3.43Å; D55-S58 PolarHBondContact O-OG 2.74Å; P56-S58 PolarHBondContact O-N 3.33Å |
| 59 | R | 57 | Low | 64.6 | Low | 211 Ų | 211 | 110.3 Ų | 110.3 | 80% | 0.796 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | -12.6 | -179.2 | -61.2 | -171.2 | -179.7 | 163 | 2.9 | 115.1 | P56 Y57 | P56-R59 CarbonylContact O-C 3.57Å; P56-R59 VanDerWaalsContact O-C 3.29Å; P56-R59 WeakPolarHBondContact O-CA 3.23Å; P56-R59 PolarHBondContact O-N 2.81Å; Y57-R59 PolarHBondContact O-N 3.34Å |
| 60 | M | 53 | Low | 63.2 | Low | 137 Ų | 137 | 110.9 Ų | 110.9 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -138.9 | 117.7 | -170.2 | -133.5 | 92.3 | -170.3 | 0 | 0 | 108.5 | P56 Y57 A62 | P56-M60 WeakPolarHBondContact O-CA 3.42Å; P56-M60 VanDerWaalsContact O-CB 3.23Å; P56-M60 WeakPolarHBondContact O-CB 2.92Å; P56-M60 PolarHBondContact O-N 3.44Å; Y57-M60 WeakPolarHBondContact CA-O 3.32Å; M60-A62 PolarHBondContact O-N 2.64Å |
| 61 | P | 54 | Low | 62 | Low | 123 Ų | 123 | 110.7 Ų | 110.7 | 80% | 0.799 | 57% | 0.567 | S | S | * | * | trans | -68.9 | 134 | -173.5 | 28.1 | -32.8 | 0 | 0 | 0 | 110.4 | S63 | P61-S63 PolarHBondContact O-N 2.93Š| ||
| 62 | A | 56.3 | Low | 60.6 | Low | 46 Ų | 46 | 108.6 Ų | 108.6 | 38% | 0.38 | 57% | 0.568 | S | S | . | * | trans | -43.2 | 126.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y57 M60 S64 | Y57-A62 HydrophobicContact CD2-CB 4.43Å; Y57-A62 HydrophobicContact CE1-CB 3.81Å; Y57-A62 HydrophobicContact CE2-CB 3.46Å; Y57-A62 VanDerWaalsContact CE2-CB 3.46Å; Y57-A62 WeakPolarHBondContact OH-CB 3.43Å; M60-A62 PolarHBondContact O-N 2.64Å; A62-S64 PolarHBondContact O-N 3.28Å | ||
| 63 | S | 59.7 | Low | 59.3 | Low | 110 Ų | 110 | 108.9 Ų | 108.9 | 77% | 0.769 | 57% | 0.567 | S | S | * | * | trans | -64.7 | 99.5 | 164.9 | 55.6 | 0 | 0 | 0 | 0 | 108.6 | P61 W65 | P61-S63 PolarHBondContact O-N 2.93Å; S63-W65 VanDerWaalsContact C-N 3.25Å; S63-W65 PolarHBondContact O-N 2.75Å | ||
| 64 | S | 58.4 | Low | 58.4 | Low | 57 Ų | 57 | 111.5 Ų | 111.5 | 40% | 0.399 | 57% | 0.57 | S | S | . | * | trans | 16 | 46.8 | 150.6 | 74.4 | 0 | 0 | 0 | 0 | 120.1 | A62 T66 D67 | A62-S64 PolarHBondContact O-N 3.28Å; S64-T66 PolarHBondContact O-N 3.45Å; S64-D67 VanDerWaalsContact CB-CB 3.47Å; S64-D67 VanDerWaalsContact CB-CG 3.43Å; S64-D67 WeakPolarHBondContact CB-OD2 3.15Å; S64-D67 WeakPolarHBondContact O-CA 3.38Å; S64-D67 WeakPolarHBondContact O-CB 2.94Å; S64-D67 PolarHBondContact O-N 3.22Å; S64-D67 PolarHBondContact OG-OD2 2.7Å | ||
| 65 | W | 56.7 | Low | 57.8 | Low | 202 Ų | 202 | 108.9 Ų | 108.9 | 77% | 0.765 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -54.8 | -34.6 | 155.4 | 152.5 | -63.9 | 0 | 0 | 0 | 108.8 | S63 D67 H68 | S63-W65 VanDerWaalsContact C-N 3.25Å; S63-W65 PolarHBondContact O-N 2.75Å; W65-D67 PolarHBondContact O-N 2.77Å; W65-H68 AromaticContact CD1-CE1 3.79Å; W65-H68 AromaticContact CD2-CE1 3.45Å; W65-H68 VanDerWaalsContact CD2-CE1 3.45Å; W65-H68 AromaticContact CE2-CE1 3.55Å; W65-H68 AromaticContact CE2-NE2 3.84Å; W65-H68 AromaticContact CE3-CE1 3.97Å; W65-H68 AromaticContact CG-CE1 3.59Å; W65-H68 AromaticContact NE1-CE1 3.69Å; W65-H68 AromaticContact NE1-NE2 3.82Å; W65-H68 PolarHBondContact O-CE1 3.19Å; W65-H68 VanDerWaalsContact O-CG 3.32Å; W65-H68 PolarHBondContact O-N 2.8Å; W65-H68 PolarHBondContact O-ND1 3.2Å; W65-H68 PolarHBondContact O-NE2 2.7Å |
| 66 | T | 56.6 | Low | 57 | Low | 78 Ų | 78 | 109.6 Ų | 109.6 | 48% | 0.479 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.4 | -17.6 | 172.5 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | S64 H68 K69 E70 | S64-T66 PolarHBondContact O-N 3.45Å; T66-H68 PolarHBondContact O-N 2.72Å; T66-K69 CarbonylContact O-C 3.57Å; T66-K69 WeakPolarHBondContact O-CA 3.47Å; T66-K69 PolarHBondContact O-N 2.82Å; T66-E70 WeakPolarHBondContact CB-OE1 3.4Å; T66-E70 VanDerWaalsContact O-CG 3.29Å; T66-E70 WeakPolarHBondContact O-CG 3.27Å; T66-E70 PolarHBondContact O-N 3.45Å; T66-E70 PolarHBondContact OG1-OE1 2.96Å |
| 67 | D | 56.8 | Low | 56.9 | Low | 68 Ų | 68 | 112.2 Ų | 112.2 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.3 | -30.3 | 174.8 | -105.9 | -37.7 | 0 | 0 | 0 | 111.9 | S64 W65 K69 E70 A71 | S64-D67 VanDerWaalsContact CB-CB 3.47Å; S64-D67 VanDerWaalsContact CB-CG 3.43Å; S64-D67 WeakPolarHBondContact CB-OD2 3.15Å; S64-D67 WeakPolarHBondContact O-CA 3.38Å; S64-D67 WeakPolarHBondContact O-CB 2.94Å; S64-D67 PolarHBondContact O-N 3.22Å; S64-D67 PolarHBondContact OG-OD2 2.7Å; W65-D67 PolarHBondContact O-N 2.77Å; D67-K69 VanDerWaalsContact C-N 3.29Å; D67-K69 PolarHBondContact O-N 2.63Å; D67-E70 CarbonylContact O-C 3.29Å; D67-E70 PolarHBondContact O-N 3.43Å; D67-A71 VanDerWaalsContact O-CA 3.32Å; D67-A71 WeakPolarHBondContact O-CA 3.22Å; D67-A71 WeakPolarHBondContact O-CB 3.29Å; D67-A71 PolarHBondContact O-N 3.31Å |
| 68 | H | 58.9 | Low | 57.1 | Low | 113 Ų | 113 | 111.5 Ų | 111.5 | 52% | 0.523 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.2 | -29.1 | 176.7 | 58.9 | -104.8 | 0 | 0 | 0 | 112 | W65 T66 L72 | W65-H68 AromaticContact CD1-CE1 3.79Å; W65-H68 AromaticContact CD2-CE1 3.45Å; W65-H68 VanDerWaalsContact CD2-CE1 3.45Å; W65-H68 AromaticContact CE2-CE1 3.55Å; W65-H68 AromaticContact CE2-NE2 3.84Å; W65-H68 AromaticContact CE3-CE1 3.97Å; W65-H68 AromaticContact CG-CE1 3.59Å; W65-H68 AromaticContact NE1-CE1 3.69Å; W65-H68 AromaticContact NE1-NE2 3.82Å; W65-H68 PolarHBondContact O-CE1 3.19Å; W65-H68 VanDerWaalsContact O-CG 3.32Å; W65-H68 PolarHBondContact O-N 2.8Å; W65-H68 PolarHBondContact O-ND1 3.2Å; W65-H68 PolarHBondContact O-NE2 2.7Å; T66-H68 PolarHBondContact O-N 2.72Å; H68-L72 PolarHBondContact O-N 3.3Å |
| 69 | K | 59.3 | Low | 57.1 | Low | 160 Ų | 160 | 117.2 Ų | 117.2 | 70% | 0.696 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75.9 | -40.1 | 172.5 | -175.5 | 167.5 | 177.6 | 167.3 | 0 | 111 | T66 D67 L72 E73 | T66-K69 CarbonylContact O-C 3.57Å; T66-K69 WeakPolarHBondContact O-CA 3.47Å; T66-K69 PolarHBondContact O-N 2.82Å; D67-K69 VanDerWaalsContact C-N 3.29Å; D67-K69 PolarHBondContact O-N 2.63Å; K69-L72 PolarHBondContact O-N 3.43Å; K69-E73 PolarHBondContact O-N 2.79Å |
| 70 | E | 57.2 | Low | 57.3 | Low | 73 Ų | 73 | 111.2 Ų | 111.2 | 34% | 0.341 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.3 | -27.6 | 176.1 | -61.2 | 171.2 | -135.6 | 0 | 0 | 112.5 | T66 D67 L72 E73 R74 | T66-E70 WeakPolarHBondContact CB-OE1 3.4Å; T66-E70 VanDerWaalsContact O-CG 3.29Å; T66-E70 WeakPolarHBondContact O-CG 3.27Å; T66-E70 PolarHBondContact O-N 3.45Å; T66-E70 PolarHBondContact OG1-OE1 2.96Å; D67-E70 CarbonylContact O-C 3.29Å; D67-E70 PolarHBondContact O-N 3.43Å; E70-L72 VanDerWaalsContact C-N 3.33Å; E70-E73 CarbonylContact O-C 3.58Å; E70-E73 PolarHBondContact O-N 2.7Å; E70-R74 VanDerWaalsContact O-CB 3.27Å; E70-R74 WeakPolarHBondContact O-CB 2.91Å; E70-R74 WeakPolarHBondContact O-CG 3.32Å; E70-R74 PolarHBondContact O-N 3.45Å; E70-R74 IonicContact OE2-CZ 3.95Å; E70-R74 IonicContact OE2-NH1 2.82Å; E70-R74 PolarHBondContact OE2-NH1 3.33Å |
| 71 | A | 58.7 | Low | 57.5 | Low | 52 Ų | 52 | 112.2 Ų | 112.2 | 43% | 0.43 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.7 | -25.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D67 G75 | D67-A71 VanDerWaalsContact O-CA 3.32Å; D67-A71 WeakPolarHBondContact O-CA 3.22Å; D67-A71 WeakPolarHBondContact O-CB 3.29Å; D67-A71 PolarHBondContact O-N 3.31Å; A71-G75 WeakPolarHBondContact O-CA 3.37Å; A71-G75 PolarHBondContact O-N 3.48Å |
| 72 | L | 57.7 | Low | 57.4 | Low | 135 Ų | 135 | 115.8 Ų | 115.8 | 71% | 0.707 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | 168.7 | -143 | 179.9 | 0 | 0 | 0 | 110.1 | H68 K69 E70 | H68-L72 PolarHBondContact O-N 3.3Å; K69-L72 PolarHBondContact O-N 3.43Å; E70-L72 VanDerWaalsContact C-N 3.33Å |
| 73 | E | 55.5 | Low | 57.5 | Low | 123 Ų | 123 | 119.3 Ų | 119.3 | 58% | 0.575 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.3 | -42.4 | 174.7 | -71.2 | -93.9 | 106.6 | 0 | 0 | 112.2 | K69 E70 G75 Q76 F77 | K69-E73 PolarHBondContact O-N 2.79Å; E70-E73 CarbonylContact O-C 3.58Å; E70-E73 PolarHBondContact O-N 2.7Å; E73-G75 VanDerWaalsContact C-N 3.26Å; E73-G75 PolarHBondContact O-N 3.11Å; E73-Q76 PolarHBondContact O-N 2.78Å; E73-Q76 VanDerWaalsContact O-N 3.08Å; E73-F77 WeakPolarHBondContact O-CD2 3.36Å; E73-F77 PolarHBondContact O-N 3.08Å; E73-F77 VanDerWaalsContact O-N 3.11Å |
| 74 | R | 55.6 | Low | 57.4 | Low | 145 Ų | 145 | 119.7 Ų | 119.7 | 55% | 0.547 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.6 | -21.9 | 175.9 | -77.6 | -176.1 | 171.8 | 93.3 | 4.8 | 113.1 | E70 Q76 | E70-R74 VanDerWaalsContact O-CB 3.27Å; E70-R74 WeakPolarHBondContact O-CB 2.91Å; E70-R74 WeakPolarHBondContact O-CG 3.32Å; E70-R74 PolarHBondContact O-N 3.45Å; E70-R74 IonicContact OE2-CZ 3.95Å; E70-R74 IonicContact OE2-NH1 2.82Å; E70-R74 PolarHBondContact OE2-NH1 3.33Å; R74-Q76 PolarHBondContact O-N 3.36Å |
| 75 | G | 58.5 | Low | 57.3 | Low | 61 Ų | 61 | 123.2 Ų | 123.2 | 63% | 0.629 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.7 | -19.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A71 E73 | A71-G75 WeakPolarHBondContact O-CA 3.37Å; A71-G75 PolarHBondContact O-N 3.48Å; E73-G75 VanDerWaalsContact C-N 3.26Å; E73-G75 PolarHBondContact O-N 3.11Å |
| 76 | Q | 57.9 | Low | 57.4 | Low | 131 Ų | 131 | 118.6 Ų | 118.6 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -103.9 | -30.2 | 179 | -161.8 | 178.8 | -98.2 | 0 | 0 | 113.5 | E73 R74 | E73-Q76 PolarHBondContact O-N 2.78Å; E73-Q76 VanDerWaalsContact O-N 3.08Å; R74-Q76 PolarHBondContact O-N 3.36Å |
| 77 | F | 56.1 | Low | 57.4 | Low | 108 Ų | 108 | 121.1 Ų | 121.1 | 47% | 0.474 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -100.5 | -10.9 | -158.3 | -79.7 | -67.7 | 0 | 0 | 0 | 120 | E73 | E73-F77 WeakPolarHBondContact O-CD2 3.36Å; E73-F77 PolarHBondContact O-N 3.08Å; E73-F77 VanDerWaalsContact O-N 3.11Å |
| 78 | D | 58.4 | Low | 57.5 | Low | 116 Ų | 116 | 124.7 Ų | 124.7 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -127.3 | 10 | -173.3 | -66.3 | -54.9 | 0 | 0 | 0 | 117.6 | ||
| 79 | Y | 57.6 | Low | 57.3 | Low | 213 Ų | 213 | 125.5 Ų | 125.5 | 84% | 0.835 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -101.4 | 0.6 | 165.8 | -58.2 | -73 | 0 | 0 | 0 | 113.8 | ||
| 80 | A | 60 | Low | 57.2 | Low | 85 Ų | 85 | 122.8 Ų | 122.8 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -98.1 | -5.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 81 | L | 57.2 | Low | 57.2 | Low | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | trans | -128 | 31.2 | -174.3 | -76.1 | 168.2 | 0 | 0 | 0 | 114.1 | ||||
| 82 | V | 53.4 | Low | 57.1 | Low | 198 Ų | 198 | 133.8 Ų | 133.8 | 100% | 1.2 | 70% | 0.702 | S | S | * | * | trans | -137.3 | 0 | 159.8 | 91.3 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 82 of 82 residues in 47.6 ms
(Link to these results)