| 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 | 41.2 | Very low | 52.1 | Low | 232 Ų | 232 | 117 Ų | 117 | 100% | 1.143 | 61% | 0.609 | S | S | * | * | 0 | 107.1 | 0 | -73.2 | -161.9 | 178.5 | 0 | 0 | 106 | |||||
| 2 | D | 43.4 | Very low | 52.4 | Low | 106 Ų | 106 | 113.7 Ų | 113.7 | 57% | 0.567 | 60% | 0.597 | S | S | * | * | trans | -93.1 | 141 | -136.4 | -65.1 | -91.9 | 0 | 0 | 0 | 112.8 | H4 D5 | D2-H4 PolarHBondContact O-N 3Å; D2-H4 VanDerWaalsContact O-N 3.08Å; D2-D5 PolarHBondContact O-N 3.44Å | ||
| 3 | I | 51.7 | Low | 52.4 | Low | 143 Ų | 143 | 110.1 Ų | 110.1 | 73% | 0.733 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -55.7 | -27.6 | 179.4 | -72.1 | 157.9 | 0 | 0 | 0 | 111.6 | D5 S6 V7 | I3-D5 PolarHBondContact O-N 3.12Å; I3-S6 PolarHBondContact O-N 3.38Å; I3-V7 PolarHBondContact O-N 2.93Å |
| 4 | H | 52.7 | Low | 52.2 | Low | 156 Ų | 156 | 108.8 Ų | 108.8 | 72% | 0.722 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.8 | -34.2 | 177.4 | -74.3 | -81.6 | 0 | 0 | 0 | 114 | D2 L8 | D2-H4 PolarHBondContact O-N 3Å; D2-H4 VanDerWaalsContact O-N 3.08Å; H4-L8 WeakPolarHBondContact O-CB 3.47Å; H4-L8 PolarHBondContact O-N 3.49Å |
| 5 | D | 56.4 | Low | 52.3 | Low | 98 Ų | 98 | 108.1 Ų | 108.1 | 52% | 0.524 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.8 | -34.2 | 179.3 | -74.9 | -30 | 0 | 0 | 0 | 111.3 | D2 I3 L8 I9 | D2-D5 PolarHBondContact O-N 3.44Å; I3-D5 PolarHBondContact O-N 3.12Å; D5-L8 PolarHBondContact O-N 3.44Å; D5-I9 WeakPolarHBondContact O-CB 3.3Å; D5-I9 VanDerWaalsContact O-CD1 3.32Å; D5-I9 WeakPolarHBondContact O-CD1 3.27Å; D5-I9 WeakPolarHBondContact O-CG1 3.46Å; D5-I9 PolarHBondContact O-N 3.41Å |
| 6 | S | 54.9 | Low | 52.1 | Low | 72 Ų | 72 | 109.8 Ų | 109.8 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.2 | -40.2 | 178.5 | -63 | 0 | 0 | 0 | 0 | 112.1 | I3 N10 | I3-S6 PolarHBondContact O-N 3.38Å; S6-N10 WeakPolarHBondContact O-CB 3.38Å; S6-N10 PolarHBondContact O-N 3.22Å; S6-N10 PolarHBondContact O-ND2 3.3Å |
| 7 | V | 57.6 | Low | 51.6 | Low | 96 Ų | 96 | 111.8 Ų | 111.8 | 58% | 0.582 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.5 | -39.2 | 177.2 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | I3 N10 F11 | I3-V7 PolarHBondContact O-N 2.93Å; V7-N10 PolarHBondContact O-N 3.35Å; V7-F11 WeakPolarHBondContact O-CB 3.25Å; V7-F11 PolarHBondContact O-N 2.98Å |
| 8 | L | 54.7 | Low | 51.3 | Low | 71 Ų | 71 | 113.4 Ų | 113.4 | 37% | 0.372 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.9 | -38.4 | 179.3 | -159.9 | 72.2 | 0 | 0 | 0 | 112 | H4 D5 F11 V12 I130 | H4-L8 WeakPolarHBondContact O-CB 3.47Å; H4-L8 PolarHBondContact O-N 3.49Å; D5-L8 PolarHBondContact O-N 3.44Å; L8-F11 PolarHBondContact O-N 3.36Å; L8-V12 VanDerWaalsContact O-CG2 3.24Å; L8-V12 WeakPolarHBondContact O-CG2 3.29Å; L8-V12 PolarHBondContact O-N 3.05Å; L8-V12 VanDerWaalsContact O-N 3.08Å; L8-I130 HydrophobicContact CD1-CD1 4.5Å |
| 9 | I | 55.1 | Low | 50.8 | Low | 107 Ų | 107 | 109.9 Ų | 109.9 | 55% | 0.549 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.4 | -40.2 | 175.8 | -70 | 165.5 | 0 | 0 | 0 | 111.2 | D5 S13 | D5-I9 WeakPolarHBondContact O-CB 3.3Å; D5-I9 VanDerWaalsContact O-CD1 3.32Å; D5-I9 WeakPolarHBondContact O-CD1 3.27Å; D5-I9 WeakPolarHBondContact O-CG1 3.46Å; D5-I9 PolarHBondContact O-N 3.41Å; I9-S13 PolarHBondContact O-N 3.39Å; I9-S13 PolarHBondContact O-OG 3.41Å |
| 10 | N | 51.9 | Low | 50.4 | Low | 100 Ų | 100 | 115.4 Ų | 115.4 | 54% | 0.535 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.8 | -43.5 | 176 | -70 | -28.1 | 0 | 0 | 0 | 111.3 | S6 V7 V12 S13 D14 | S6-N10 WeakPolarHBondContact O-CB 3.38Å; S6-N10 PolarHBondContact O-N 3.22Å; S6-N10 PolarHBondContact O-ND2 3.3Å; V7-N10 PolarHBondContact O-N 3.35Å; N10-V12 PolarHBondContact O-N 3.35Å; N10-S13 WeakPolarHBondContact O-CB 3.35Å; N10-S13 PolarHBondContact O-N 2.94Å; N10-S13 VanDerWaalsContact O-N 3.16Å; N10-D14 PolarHBondContact O-N 2.86Å; N10-D14 VanDerWaalsContact O-N 3.11Å |
| 11 | F | 53.6 | Low | 50.3 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 47% | 0.465 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.2 | -38.6 | 179.2 | -175.1 | -110.3 | 0 | 0 | 0 | 113.9 | V7 L8 S13 D14 I15 | V7-F11 WeakPolarHBondContact O-CB 3.25Å; V7-F11 PolarHBondContact O-N 2.98Å; L8-F11 PolarHBondContact O-N 3.36Å; F11-S13 PolarHBondContact O-N 3.28Å; F11-D14 PolarHBondContact O-N 3.11Å; F11-I15 HydrophobicContact CD1-CD1 3.86Å; F11-I15 HydrophobicContact CE1-CD1 3.44Å; F11-I15 VanDerWaalsContact CE1-CD1 3.44Å; F11-I15 HydrophobicContact CE1-CG1 4.37Å; F11-I15 HydrophobicContact CZ-CD1 3.82Å; F11-I15 HydrophobicContact CZ-CG1 4.41Å; F11-I15 WeakPolarHBondContact O-CG1 3.31Å; F11-I15 PolarHBondContact O-N 3.42Å; F11-I15 VanDerWaalsContact O-N 3.13Å |
| 12 | V | 55.3 | Low | 50.1 | Low | 77 Ų | 77 | 113.1 Ų | 113.1 | 47% | 0.467 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.8 | -28.7 | 175.2 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | L8 N10 N16 | L8-V12 VanDerWaalsContact O-CG2 3.24Å; L8-V12 WeakPolarHBondContact O-CG2 3.29Å; L8-V12 PolarHBondContact O-N 3.05Å; L8-V12 VanDerWaalsContact O-N 3.08Å; N10-V12 PolarHBondContact O-N 3.35Å; V12-N16 PolarHBondContact O-ND2 3.2Å |
| 13 | S | 52.7 | Low | 50.3 | Low | 67 Ų | 67 | 117.9 Ų | 117.9 | 47% | 0.469 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.6 | -39 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | I9 N10 F11 N16 | I9-S13 PolarHBondContact O-N 3.39Å; I9-S13 PolarHBondContact O-OG 3.41Å; N10-S13 WeakPolarHBondContact O-CB 3.35Å; N10-S13 PolarHBondContact O-N 2.94Å; N10-S13 VanDerWaalsContact O-N 3.16Å; F11-S13 PolarHBondContact O-N 3.28Å; S13-N16 PolarHBondContact O-N 2.88Å |
| 14 | D | 48.7 | Very low | 49.3 | Very low | 92 Ų | 92 | 116.7 Ų | 116.7 | 49% | 0.492 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.8 | -35.6 | 178.7 | -65.8 | -28 | 0 | 0 | 0 | 113 | N10 F11 N16 L17 I18 | N10-D14 PolarHBondContact O-N 2.86Å; N10-D14 VanDerWaalsContact O-N 3.11Å; F11-D14 PolarHBondContact O-N 3.11Å; D14-N16 PolarHBondContact O-N 3.38Å; D14-L17 PolarHBondContact O-N 3.5Å; D14-L17 VanDerWaalsContact O-N 3.09Å; D14-I18 PolarHBondContact O-N 2.98Å |
| 15 | I | 54.1 | Low | 48.7 | Very low | 99 Ų | 99 | 113.3 Ų | 113.3 | 51% | 0.508 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.6 | -31.8 | 175.7 | -72.6 | 175.3 | 0 | 0 | 0 | 112 | F11 L17 | F11-I15 HydrophobicContact CD1-CD1 3.86Å; F11-I15 HydrophobicContact CE1-CD1 3.44Å; F11-I15 VanDerWaalsContact CE1-CD1 3.44Å; F11-I15 HydrophobicContact CE1-CG1 4.37Å; F11-I15 HydrophobicContact CZ-CD1 3.82Å; F11-I15 HydrophobicContact CZ-CG1 4.41Å; F11-I15 WeakPolarHBondContact O-CG1 3.31Å; F11-I15 PolarHBondContact O-N 3.42Å; F11-I15 VanDerWaalsContact O-N 3.13Å; I15-L17 VanDerWaalsContact C-N 3.31Å |
| 16 | N | 48.8 | Very low | 47.8 | Very low | 135 Ų | 135 | 117.2 Ų | 117.2 | 72% | 0.722 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -14.1 | 177.9 | -73.7 | -57.8 | 0 | 0 | 0 | 113.2 | V12 S13 D14 | V12-N16 PolarHBondContact O-ND2 3.2Å; S13-N16 PolarHBondContact O-N 2.88Å; D14-N16 PolarHBondContact O-N 3.38Å |
| 17 | L | 44.1 | Very low | 46.7 | Very low | 143 Ų | 143 | 117.5 Ų | 117.5 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -20.3 | -177.9 | -168.3 | 59 | 0 | 0 | 0 | 113.2 | D14 I15 G19 | D14-L17 PolarHBondContact O-N 3.5Å; D14-L17 VanDerWaalsContact O-N 3.09Å; I15-L17 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3.44Å |
| 18 | I | 46.5 | Very low | 45.8 | Very low | 142 Ų | 142 | 118.7 Ų | 118.7 | 73% | 0.728 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -78.8 | 91.9 | 175 | -58.4 | 170.6 | 0 | 0 | 0 | 108.7 | D14 F20 | D14-I18 PolarHBondContact O-N 2.98Å; I18-F20 PolarHBondContact O-N 2.93Å |
| 19 | G | 42 | Very low | 44.9 | Very low | 47 Ų | 47 | 124.2 Ų | 124.2 | 49% | 0.485 | 69% | 0.693 | S | S | . | * | trans | -50.9 | 129.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | L17 T21 | L17-G19 PolarHBondContact O-N 3.44Å; G19-T21 PolarHBondContact O-N 3.37Å | ||
| 20 | F | 42.1 | Very low | 44.1 | Very low | 218 Ų | 218 | 128.5 Ų | 128.5 | 96% | 0.956 | 71% | 0.711 | S | S | * | * | 11.3 | 51.8 | 107.2 | -136.3 | -91 | 0 | 0 | 0 | 118 | I18 | I18-F20 PolarHBondContact O-N 2.93Š| |||
| 21 | T | 48.2 | Very low | 43.4 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | trans | -143.1 | 93.8 | 166.4 | 64.8 | 0 | 0 | 0 | 0 | 111.4 | G19 | G19-T21 PolarHBondContact O-N 3.37Š| ||
| 22 | Q | 36.9 | Very low | 42.6 | Very low | 180 Ų | 180 | 131 Ų | 131 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | trans | -155.2 | 112.2 | 144.7 | -153.4 | 139.1 | 43.9 | 0 | 0 | 112.2 | ||||
| 23 | K | 47.8 | Very low | 41.7 | Very low | 206 Ų | 206 | 133.3 Ų | 133.3 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | trans | -57.6 | 128.1 | 153.7 | -79.9 | 164.9 | 169.7 | 168.8 | 0 | 108.2 | ||||
| 24 | C | 30.2 | Very low | 41.1 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -121.9 | 108 | 155 | -64.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 25 | A | 41.4 | Very low | 40.9 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | trans | -84.2 | 148 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 26 | L | 37.7 | Very low | 40.1 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 95% | 0.948 | 78% | 0.777 | S | S | * | * | trans | 66.2 | 126.1 | 158.1 | -54.7 | 175.8 | 0 | 0 | 0 | 118.5 | ||||
| 27 | G | 30.4 | Very low | 39.6 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 160.3 | 82.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 28 | S | 40.1 | Very low | 39.9 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -71 | 119.5 | 177.1 | -32.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 29 | E | 34.1 | Very low | 40.1 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -134.6 | 111.6 | 148.4 | -77.1 | -166 | 101.3 | 0 | 0 | 107.8 | V31 | E29-V31 PolarHBondContact O-N 3.13Š| ||
| 30 | E | 39.3 | Very low | 40 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -60.1 | 122.8 | 171.4 | -75.5 | -176.7 | 135.7 | 0 | 0 | 108.9 | ||||
| 31 | V | 37.1 | Very low | 40.1 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -121.5 | 98.3 | 155.3 | -168.2 | 0 | 0 | 0 | 0 | 105.7 | E29 V33 | E29-V31 PolarHBondContact O-N 3.13Å; V31-V33 HydrophobicContact CG1-CG2 4.29Å; V31-V33 PolarHBondContact O-N 3.43Å; V31-V33 VanDerWaalsContact O-N 3.1Å | ||
| 32 | D | 36.1 | Very low | 39.6 | Very low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -55.3 | 109.2 | 167.4 | 179.5 | 26.8 | 0 | 0 | 0 | 108.5 | S34 | D32-S34 PolarHBondContact OD1-N 3.35Å; D32-S34 VanDerWaalsContact OD1-N 3.08Å | ||
| 33 | V | 37.9 | Very low | 39.6 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -114.8 | 70.2 | 164 | -178.4 | 0 | 0 | 0 | 0 | 106.3 | V31 | V31-V33 HydrophobicContact CG1-CG2 4.29Å; V31-V33 PolarHBondContact O-N 3.43Å; V31-V33 VanDerWaalsContact O-N 3.1Å | ||
| 34 | S | 39.2 | Very low | 39.5 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 59% | 0.587 | 79% | 0.788 | S | S | * | * | trans | -48.7 | 136.9 | 157.6 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | D32 | D32-S34 PolarHBondContact OD1-N 3.35Å; D32-S34 VanDerWaalsContact OD1-N 3.08Å | ||
| 35 | A | 45.5 | Very low | 40.3 | Very low | 81 Ų | 81 | 129.3 Ų | 129.3 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | 59.1 | 87.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 36 | Y | 36.7 | Very low | 39.7 | Very low | 214 Ų | 214 | 131.2 Ų | 131.2 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | -152.8 | 96.4 | 129.7 | -130.3 | -91.8 | 0 | 0 | 0 | 110.5 | |||||
| 37 | C | 37.9 | Very low | 40 | Very low | 118 Ų | 118 | 128 Ų | 128 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -124 | 106.5 | 157.5 | -67.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 38 | P | 51.2 | Low | 40.3 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -77.2 | 136.4 | 174.5 | 30.9 | -28.3 | 0 | 0 | 0 | 109.4 | ||||
| 39 | N | 50.3 | Low | 40.4 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -51.9 | 149.3 | 179.5 | -59.9 | -38.1 | 0 | 0 | 0 | 113.2 | ||||
| 40 | N | 39.8 | Very low | 40.8 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | -175.7 | 126.9 | 118.7 | -91.7 | -38.9 | 0 | 0 | 0 | 114.6 | |||||
| 41 | L | 43.4 | Very low | 40.8 | Very low | 148 Ų | 148 | 126 Ų | 126 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 48 | 107.3 | 144.2 | -73.7 | 81.3 | 0 | 0 | 0 | 120.4 | ||||
| 42 | S | 39.5 | Very low | 41.1 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | 167.6 | 124.3 | 97.6 | 46.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 43 | G | 36.6 | Very low | 41.1 | Very low | 83 Ų | 83 | 123.6 Ų | 123.6 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -68.6 | 133.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 44 | S | 44.4 | Very low | 41 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -110.7 | 113.7 | 158.3 | -99.8 | 0 | 0 | 0 | 0 | 108 | C46 | S44-C46 PolarHBondContact O-N 3.49Š| ||
| 45 | S | 46.8 | Very low | 40.8 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -64.7 | 117.8 | 171.4 | 31.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 46 | C | 30 | Very low | 40.6 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -117 | 98.6 | 163.8 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | S44 | S44-C46 PolarHBondContact O-N 3.49Š| ||
| 47 | S | 43.3 | Very low | 40.7 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -82.3 | 105.9 | 166.4 | -43.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 48 | T | 38 | Very low | 40.9 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -160.3 | 105.6 | 152.6 | -20.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 49 | S | 41.8 | Very low | 40.1 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -74.6 | 154.8 | 164.5 | -41.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 50 | P | 42.7 | Very low | 40.4 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | -140.7 | 155.9 | 102.1 | 21.6 | -0.1 | 0 | 0 | 0 | 115.2 | |||||
| 51 | L | 38 | Very low | 40.4 | Very low | 165 Ų | 165 | 130 Ų | 130 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -72.6 | 168.3 | -173.1 | -74.6 | 164.5 | 0 | 0 | 0 | 115.4 | ||||
| 52 | P | 45 | Very low | 40.5 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -93.3 | 151.2 | -179.3 | 37 | -31.2 | 0 | 0 | 0 | 113.1 | ||||
| 53 | G | 35.5 | Very low | 40.4 | Very low | 81 Ų | 81 | 131.1 Ų | 131.1 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -149.4 | 120.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 54 | G | 36.2 | Very low | 41 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 92% | 0.918 | 81% | 0.814 | S | S | * | * | trans | -95 | 167.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 55 | G | 33.9 | Very low | 41.3 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -170.2 | 122.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 56 | R | 41.5 | Very low | 41 | Very low | 225 Ų | 225 | 135.9 Ų | 135.9 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | trans | -95 | 137.7 | -177.9 | -67.6 | 172.2 | 127.7 | -141.2 | -3.8 | 110.6 | ||||
| 57 | T | 39.5 | Very low | 41.9 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -154 | 126 | 147.7 | -31.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 58 | E | 41.2 | Very low | 41.6 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -78.5 | 137.9 | -178.6 | -61 | -74.4 | 148.4 | 0 | 0 | 111.9 | ||||
| 59 | R | 35.5 | Very low | 42.3 | Very low | 242 Ų | 242 | 133.5 Ų | 133.5 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -168.4 | 132.2 | 140.2 | -120.8 | 177.9 | 156.7 | -137.4 | -5.4 | 112.6 | ||||
| 60 | P | 55.3 | Low | 42.6 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -96.2 | 138.6 | -179.6 | 35.7 | -29.9 | 0 | 0 | 0 | 112.1 | ||||
| 61 | A | 41.3 | Very low | 43.1 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -158.9 | 96.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 62 | S | 45.1 | Very low | 43.9 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | 28.2 | 134.8 | 128.9 | 70 | 0 | 0 | 0 | 0 | 122 | |||||
| 63 | F | 37.3 | Very low | 44.6 | Very low | 199 Ų | 199 | 135.1 Ų | 135.1 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | trans | 79.2 | 99.6 | 155.3 | -58 | -73 | 0 | 0 | 0 | 120.4 | ||||
| 64 | S | 48.5 | Very low | 45.8 | Very low | 86 Ų | 86 | 142 Ų | 142 | 60% | 0.601 | 80% | 0.795 | S | S | * | * | 146.6 | 127.8 | 112.9 | -91.6 | 0 | 0 | 0 | 0 | 112.3 | R66 | S64-R66 PolarHBondContact O-N 3.43Š| |||
| 65 | P | 50.5 | Low | 46.8 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -74.5 | 92.9 | 165.6 | 31.5 | -28.3 | 0 | 0 | 0 | 107.7 | C67 | P65-C67 PolarHBondContact O-N 3.12Š| ||
| 66 | R | 42.2 | Very low | 48.2 | Very low | 211 Ų | 211 | 148.3 Ų | 148.3 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -77.8 | 96.3 | 171.5 | -74.2 | -174 | -172.3 | -105.4 | 1.1 | 108.8 | S64 C68 | S64-R66 PolarHBondContact O-N 3.43Å; R66-C68 PolarHBondContact O-N 3.16Å | ||
| 67 | C | 48 | Very low | 49.2 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -56.2 | 85.8 | 157.2 | -49.6 | 0 | 0 | 0 | 0 | 108.7 | P65 S69 | P65-C67 PolarHBondContact O-N 3.12Å; C67-S69 PolarHBondContact O-N 3.49Å | ||
| 68 | C | 37.5 | Very low | 50.5 | Low | 78 Ų | 78 | 152.4 Ų | 152.4 | 53% | 0.527 | 79% | 0.786 | S | S | . | * | trans | -97.9 | 85.7 | 173.5 | -74.2 | 0 | 0 | 0 | 0 | 108.9 | R66 R70 | R66-C68 PolarHBondContact O-N 3.16Å; C68-R70 HydrophobicContact CB-CG 4.46Å; C68-R70 PolarHBondContact O-N 3.03Å | ||
| 69 | S | 52.8 | Low | 52 | Low | 125 Ų | 125 | 156 Ų | 156 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -54.8 | 89.1 | 153.4 | -58.4 | 0 | 0 | 0 | 0 | 108.6 | C67 | C67-S69 PolarHBondContact O-N 3.49Š| ||
| 70 | R | 47.6 | Very low | 54.1 | Low | 204 Ų | 204 | 151.8 Ų | 151.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -109.9 | 103.8 | 165.9 | -72.9 | -175.7 | -177.5 | 176 | 0.3 | 106.8 | C68 H72 | C68-R70 HydrophobicContact CB-CG 4.46Å; C68-R70 PolarHBondContact O-N 3.03Å; R70-H72 PolarHBondContact O-N 3.22Å | ||
| 71 | G | 52.4 | Low | 55.5 | Low | 83 Ų | 83 | 151.1 Ų | 151.1 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -53 | 93.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 72 | H | 54.5 | Low | 57.7 | Low | 153 Ų | 153 | 150.1 Ų | 150.1 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | trans | -82.1 | 118.6 | 152.5 | -88.8 | 36.2 | 0 | 0 | 0 | 105.1 | R70 R74 | R70-H72 PolarHBondContact O-N 3.22Å; H72-R74 HydrophobicContact CB-CG 4.44Å; H72-R74 PolarHBondContact O-N 3.22Å | ||
| 73 | S | 60 | Low | 59.9 | Low | 123 Ų | 123 | 148.1 Ų | 148.1 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -49.2 | 90.4 | 151.4 | 175.1 | 0 | 0 | 0 | 0 | 106.4 | S75 | S73-S75 PolarHBondContact O-N 3.03Š| ||
| 74 | R | 60.7 | Low | 62.3 | Low | 226 Ų | 226 | 143.8 Ų | 143.8 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -71.2 | 93.7 | 174.5 | -72.7 | -151.3 | 177.2 | -170.2 | 1.6 | 103.4 | H72 K76 | H72-R74 HydrophobicContact CB-CG 4.44Å; H72-R74 PolarHBondContact O-N 3.22Å; R74-K76 PolarHBondContact O-N 3.42Å | ||
| 75 | S | 58.2 | Low | 64.2 | Low | 100 Ų | 100 | 144.7 Ų | 144.7 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | -29.7 | 116.6 | 160.4 | 172 | 0 | 0 | 0 | 0 | 106.5 | S73 R77 | S73-S75 PolarHBondContact O-N 3.03Å; S75-R77 PolarHBondContact O-N 3.42Å | ||
| 76 | K | 61.9 | Low | 66.2 | Low | 202 Ų | 202 | 146.5 Ų | 146.5 | 88% | 0.878 | 73% | 0.729 | S | S | * | * | trans | -66.4 | 69 | -173.9 | -164.9 | 175.4 | -173 | 176.6 | 0 | 107.1 | R74 R78 | R74-K76 PolarHBondContact O-N 3.42Å; K76-R78 VanDerWaalsContact C-N 3.35Å; K76-R78 PolarHBondContact O-N 3.42Å | ||
| 77 | R | 63.4 | Low | 68.5 | Low | 225 Ų | 225 | 142.4 Ų | 142.4 | 85% | 0.849 | 72% | 0.719 | S | S | * | * | trans | -62.1 | 103.6 | 178.6 | -167.2 | 176.7 | -146.5 | 171 | 7.6 | 103.7 | S75 R79 | S75-R77 PolarHBondContact O-N 3.42Å; R77-R79 PolarHBondContact O-N 2.96Å | ||
| 78 | R | 67.3 | Low | 70.4 | Confident | 232 Ų | 232 | 138.6 Ų | 138.6 | 88% | 0.875 | 70% | 0.697 | S | S | * | * | trans | -52.1 | 107.6 | 177.4 | -62.8 | -172.1 | -149.4 | -161.5 | 7.1 | 105.5 | K76 I80 | K76-R78 VanDerWaalsContact C-N 3.35Å; K76-R78 PolarHBondContact O-N 3.42Å; R78-I80 PolarHBondContact O-N 2.91Å | ||
| 79 | R | 71.5 | Confident | 73 | Confident | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.887 | 69% | 0.686 | S | S | * | * | trans | -64.5 | 111 | 176.6 | -71.4 | -176.5 | -170 | 161.4 | 2.3 | 105.3 | R77 I81 | R77-R79 PolarHBondContact O-N 2.96Å; R79-I81 PolarHBondContact O-N 3.07Å; R79-I81 VanDerWaalsContact O-N 3.16Å | ||
| 80 | I | 81 | Confident | 75 | Confident | 153 Ų | 153 | 135 Ų | 135 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -67.8 | 113.2 | 173.2 | -58.2 | 176.3 | 0 | 0 | 0 | 105.5 | R78 T82 | R78-I80 PolarHBondContact O-N 2.91Å; I80-T82 PolarHBondContact O-N 2.95Å | ||
| 81 | I | 83.4 | Confident | 77.2 | Confident | 110 Ų | 110 | 129 Ų | 129 | 56% | 0.564 | 65% | 0.653 | S | S | * | * | trans | -68.2 | 117.5 | 177.4 | -61 | 175.1 | 0 | 0 | 0 | 107.1 | R79 Q85 R86 | R79-I81 PolarHBondContact O-N 3.07Å; R79-I81 VanDerWaalsContact O-N 3.16Å; I81-Q85 HydrophobicContact CG2-CB 3.84Å; I81-R86 HydrophobicContact CG2-CB 4.22Å | ||
| 82 | T | 89 | Confident | 79.3 | Confident | 70 Ų | 70 | 132.4 Ų | 132.4 | 43% | 0.429 | 64% | 0.64 | S | S | . | * | trans | -71 | 157.5 | 177.2 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | I80 V84 Q85 R86 | I80-T82 PolarHBondContact O-N 2.95Å; T82-V84 PolarHBondContact O-N 3.23Å; T82-Q85 PolarHBondContact O-N 3.15Å; T82-Q85 VanDerWaalsContact O-N 3.09Å; T82-Q85 VanDerWaalsContact OG1-CG 3.26Å; T82-Q85 WeakPolarHBondContact OG1-CG 3.48Å; T82-Q85 PolarHBondContact OG1-N 3.08Å; T82-Q85 PolarHBondContact OG1-OE1 3.08Å; T82-R86 PolarHBondContact O-N 3.34Å | ||
| 83 | G | 89.8 | Confident | 81.4 | Confident | 52 Ų | 52 | 129.3 Ų | 129.3 | 54% | 0.536 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -54 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R86 Q87 | G83-R86 WeakPolarHBondContact O-CB 3.33Å; G83-R86 PolarHBondContact O-N 2.99Å; G83-Q87 WeakPolarHBondContact O-CG 3.37Å; G83-Q87 PolarHBondContact O-N 3.07Å |
| 84 | V | 88.1 | Confident | 83.2 | Confident | 107 Ų | 107 | 132.7 Ų | 132.7 | 65% | 0.648 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.5 | -43.8 | 176.5 | 180 | 0 | 0 | 0 | 0 | 111.7 | T82 R86 Q87 A88 | T82-V84 PolarHBondContact O-N 3.23Å; V84-R86 VanDerWaalsContact C-N 3.32Å; V84-R86 PolarHBondContact O-N 2.92Å; V84-Q87 PolarHBondContact O-N 2.86Å; V84-A88 WeakPolarHBondContact O-CB 3.36Å; V84-A88 PolarHBondContact O-N 2.98Å |
| 85 | Q | 88.2 | Confident | 84.9 | Confident | 105 Ų | 105 | 129 Ų | 129 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64 | -38.3 | 176.7 | -75 | 168.9 | -21.3 | 0 | 0 | 112.2 | I81 T82 A89 | I81-Q85 HydrophobicContact CG2-CB 3.84Å; T82-Q85 PolarHBondContact O-N 3.15Å; T82-Q85 VanDerWaalsContact O-N 3.09Å; T82-Q85 VanDerWaalsContact OG1-CG 3.26Å; T82-Q85 WeakPolarHBondContact OG1-CG 3.48Å; T82-Q85 PolarHBondContact OG1-N 3.08Å; T82-Q85 PolarHBondContact OG1-OE1 3.08Å; Q85-A89 WeakPolarHBondContact O-CB 3.4Å; Q85-A89 PolarHBondContact O-N 3.06Å |
| 86 | R | 93 | Very high | 86.8 | Confident | 162 Ų | 162 | 131.1 Ų | 131.1 | 61% | 0.611 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.1 | -45.2 | 175.4 | -169.9 | -173.8 | -66.2 | -155.1 | 0.1 | 111.2 | I81 T82 G83 V84 A89 N90 | I81-R86 HydrophobicContact CG2-CB 4.22Å; T82-R86 PolarHBondContact O-N 3.34Å; G83-R86 WeakPolarHBondContact O-CB 3.33Å; G83-R86 PolarHBondContact O-N 2.99Å; V84-R86 VanDerWaalsContact C-N 3.32Å; V84-R86 PolarHBondContact O-N 2.92Å; R86-A89 WeakPolarHBondContact O-CB 3.45Å; R86-A89 PolarHBondContact O-N 3.36Å; R86-N90 PolarHBondContact O-N 3.13Å |
| 87 | Q | 90.2 | Very high | 88.5 | Confident | 124 Ų | 124 | 124 Ų | 124 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61 | -46.9 | 176.5 | -74.4 | 175.4 | -21.9 | 0 | 0 | 111.7 | G83 V84 A89 N90 V91 | G83-Q87 WeakPolarHBondContact O-CG 3.37Å; G83-Q87 PolarHBondContact O-N 3.07Å; V84-Q87 PolarHBondContact O-N 2.86Å; Q87-A89 VanDerWaalsContact C-N 3.27Å; Q87-A89 PolarHBondContact O-N 3.09Å; Q87-N90 WeakPolarHBondContact O-CB 3.3Å; Q87-N90 PolarHBondContact O-N 2.76Å; Q87-N90 VanDerWaalsContact O-N 3.13Å; Q87-V91 WeakPolarHBondContact O-CG2 3.35Å; Q87-V91 PolarHBondContact O-N 3.48Å |
| 88 | A | 88.1 | Confident | 90.1 | Very high | 42 Ų | 42 | 120 Ų | 120 | 35% | 0.347 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.6 | -38.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V84 R92 | V84-A88 WeakPolarHBondContact O-CB 3.36Å; V84-A88 PolarHBondContact O-N 2.98Å; A88-R92 WeakPolarHBondContact O-CG 3.47Å; A88-R92 PolarHBondContact O-N 3.32Å; A88-R92 PolarHBondContact O-NH1 3.4Å |
| 89 | A | 92.2 | Very high | 91.5 | Very high | 37 Ų | 37 | 112 Ų | 112 | 31% | 0.306 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q85 R86 Q87 V91 R92 E93 | Q85-A89 WeakPolarHBondContact O-CB 3.4Å; Q85-A89 PolarHBondContact O-N 3.06Å; R86-A89 WeakPolarHBondContact O-CB 3.45Å; R86-A89 PolarHBondContact O-N 3.36Å; Q87-A89 VanDerWaalsContact C-N 3.27Å; Q87-A89 PolarHBondContact O-N 3.09Å; A89-V91 VanDerWaalsContact C-N 3.33Å; A89-V91 PolarHBondContact O-N 3.32Å; A89-R92 PolarHBondContact O-N 3.11Å; A89-E93 PolarHBondContact O-N 3.5Å |
| 90 | N | 95.3 | Very high | 92.8 | Very high | 89 Ų | 89 | 104.2 Ų | 104.2 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 177.4 | -70.5 | -10.8 | 0 | 0 | 0 | 112.2 | R86 Q87 E93 R94 | R86-N90 PolarHBondContact O-N 3.13Å; Q87-N90 WeakPolarHBondContact O-CB 3.3Å; Q87-N90 PolarHBondContact O-N 2.76Å; Q87-N90 VanDerWaalsContact O-N 3.13Å; N90-E93 PolarHBondContact O-N 3Å; N90-R94 WeakPolarHBondContact O-CG 3.4Å; N90-R94 PolarHBondContact O-N 3.44Å |
| 91 | V | 93.1 | Very high | 93.5 | Very high | 78 Ų | 78 | 99.6 Ų | 99.6 | 47% | 0.473 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.3 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | Q87 A89 E93 R94 K95 | Q87-V91 WeakPolarHBondContact O-CG2 3.35Å; Q87-V91 PolarHBondContact O-N 3.48Å; A89-V91 VanDerWaalsContact C-N 3.33Å; A89-V91 PolarHBondContact O-N 3.32Å; V91-E93 VanDerWaalsContact C-N 3.33Å; V91-E93 PolarHBondContact O-N 3.16Å; V91-R94 PolarHBondContact O-N 3.06Å; V91-K95 PolarHBondContact O-N 3.3Å |
| 92 | R | 96.7 | Very high | 94.2 | Very high | 155 Ų | 155 | 100 Ų | 100 | 59% | 0.585 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 176.3 | -71.6 | -169.8 | -58.2 | -88.4 | 2.2 | 112 | A88 A89 R94 K95 R96 | A88-R92 WeakPolarHBondContact O-CG 3.47Å; A88-R92 PolarHBondContact O-N 3.32Å; A88-R92 PolarHBondContact O-NH1 3.4Å; A89-R92 PolarHBondContact O-N 3.11Å; R92-R94 PolarHBondContact O-N 3.47Å; R92-K95 PolarHBondContact O-N 3.08Å; R92-R96 PolarHBondContact O-N 3.17Å |
| 93 | E | 98 | Very high | 94.6 | Very high | 88 Ų | 88 | 99.4 Ų | 99.4 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 179.3 | -173 | 55.2 | -153.1 | 0 | 0 | 112 | A89 N90 V91 K95 R96 M97 | A89-E93 PolarHBondContact O-N 3.5Å; N90-E93 PolarHBondContact O-N 3Å; V91-E93 VanDerWaalsContact C-N 3.33Å; V91-E93 PolarHBondContact O-N 3.16Å; E93-K95 VanDerWaalsContact C-N 3.33Å; E93-K95 PolarHBondContact O-N 3.04Å; E93-R96 PolarHBondContact O-N 3.44Å; E93-R96 IonicContact OE1-CZ 2.66Å; E93-R96 IonicContact OE1-NH1 2.75Å; E93-R96 PolarHBondContact OE1-NH1 3.08Å; E93-R96 IonicContact OE2-NH1 3.84Å; E93-M97 WeakPolarHBondContact O-CB 3.03Å; E93-M97 PolarHBondContact O-N 3.34Å |
| 94 | R | 97.9 | Very high | 95 | Very high | 194 Ų | 194 | 98 Ų | 98 | 73% | 0.732 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.6 | -43.3 | 172.5 | -75 | -178.9 | -173.5 | -178.3 | 1.6 | 111.9 | N90 V91 R92 M97 F98 | N90-R94 WeakPolarHBondContact O-CG 3.4Å; N90-R94 PolarHBondContact O-N 3.44Å; V91-R94 PolarHBondContact O-N 3.06Å; R92-R94 PolarHBondContact O-N 3.47Å; R94-M97 PolarHBondContact O-N 2.9Å; R94-F98 WeakPolarHBondContact O-CB 3.44Å; R94-F98 PolarHBondContact O-N 3.32Å |
| 95 | K | 96.2 | Very high | 95.4 | Very high | 148 Ų | 148 | 95.8 Ų | 95.8 | 64% | 0.643 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.9 | -46.3 | 176.3 | -71.6 | -175.2 | 176.1 | -170.6 | 0 | 111.7 | V91 R92 E93 M97 F98 S99 | V91-K95 PolarHBondContact O-N 3.3Å; R92-K95 PolarHBondContact O-N 3.08Å; E93-K95 VanDerWaalsContact C-N 3.33Å; E93-K95 PolarHBondContact O-N 3.04Å; K95-M97 VanDerWaalsContact C-N 3.29Å; K95-M97 PolarHBondContact O-N 3.25Å; K95-F98 WeakPolarHBondContact O-CB 3.41Å; K95-F98 PolarHBondContact O-N 3.48Å; K95-S99 PolarHBondContact O-N 2.93Å; K95-S99 VanDerWaalsContact O-N 3.15Å |
| 96 | R | 98.1 | Very high | 95.8 | Very high | 146 Ų | 146 | 96.5 Ų | 96.5 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58 | -42.4 | 174.9 | 179.3 | -175.6 | 167.6 | -91.8 | -7.2 | 111.9 | R92 E93 S99 L100 | R92-R96 PolarHBondContact O-N 3.17Å; E93-R96 PolarHBondContact O-N 3.44Å; E93-R96 IonicContact OE1-CZ 2.66Å; E93-R96 IonicContact OE1-NH1 2.75Å; E93-R96 PolarHBondContact OE1-NH1 3.08Å; E93-R96 IonicContact OE2-NH1 3.84Å; R96-S99 PolarHBondContact O-OG 2.97Å; R96-L100 PolarHBondContact O-N 3.05Å |
| 97 | M | 98.3 | Very high | 95.9 | Very high | 53 Ų | 53 | 91.5 Ų | 91.5 | 26% | 0.261 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -73 | -32.8 | -179.5 | -163.4 | 64.1 | -159 | 0 | 0 | 112.3 | E93 R94 K95 L100 N101 | E93-M97 WeakPolarHBondContact O-CB 3.03Å; E93-M97 PolarHBondContact O-N 3.34Å; R94-M97 PolarHBondContact O-N 2.9Å; K95-M97 VanDerWaalsContact C-N 3.29Å; K95-M97 PolarHBondContact O-N 3.25Å; M97-L100 HydrophobicContact CE-CD1 4.33Å; M97-L100 HydrophobicContact CE-CD2 3.81Å; M97-L100 PolarHBondContact O-N 3.24Å; M97-L100 HydrophobicContact SD-CD1 4.23Å; M97-N101 VanDerWaalsContact O-CG 3.23Å; M97-N101 PolarHBondContact O-N 3.1Å; M97-N101 PolarHBondContact O-ND2 3.08Å |
| 98 | F | 96.9 | Very high | 96.2 | Very high | 139 Ų | 139 | 88 Ų | 88 | 61% | 0.61 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.8 | -50.8 | 173.4 | 177.7 | -92.2 | 0 | 0 | 0 | 111.2 | R94 K95 L100 N101 E102 | R94-F98 WeakPolarHBondContact O-CB 3.44Å; R94-F98 PolarHBondContact O-N 3.32Å; K95-F98 WeakPolarHBondContact O-CB 3.41Å; K95-F98 PolarHBondContact O-N 3.48Å; F98-L100 VanDerWaalsContact C-N 3.28Å; F98-L100 PolarHBondContact O-N 3.45Å; F98-N101 PolarHBondContact O-N 3.42Å; F98-N101 VanDerWaalsContact O-N 3.07Å; F98-E102 PolarHBondContact O-N 3.15Å |
| 99 | S | 97.1 | Very high | 96.5 | Very high | 66 Ų | 66 | 94.7 Ų | 94.7 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.4 | -35.4 | 179 | 63 | 0 | 0 | 0 | 0 | 112.6 | K95 R96 E102 A103 | K95-S99 PolarHBondContact O-N 2.93Å; K95-S99 VanDerWaalsContact O-N 3.15Å; R96-S99 PolarHBondContact O-OG 2.97Å; S99-E102 PolarHBondContact O-N 3.07Å; S99-A103 PolarHBondContact O-N 3.19Å; S99-A103 VanDerWaalsContact O-N 3.16Å |
| 100 | L | 97.5 | Very high | 96.7 | Very high | 70 Ų | 70 | 98.9 Ų | 98.9 | 37% | 0.366 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 173 | -175.7 | 161 | 0 | 0 | 0 | 111.3 | R96 M97 F98 E102 A103 F104 | R96-L100 PolarHBondContact O-N 3.05Å; M97-L100 HydrophobicContact CE-CD1 4.33Å; M97-L100 HydrophobicContact CE-CD2 3.81Å; M97-L100 PolarHBondContact O-N 3.24Å; M97-L100 HydrophobicContact SD-CD1 4.23Å; F98-L100 VanDerWaalsContact C-N 3.28Å; F98-L100 PolarHBondContact O-N 3.45Å; L100-E102 VanDerWaalsContact C-N 3.31Å; L100-E102 PolarHBondContact O-N 3.15Å; L100-A103 PolarHBondContact O-N 3.04Å; L100-F104 WeakPolarHBondContact O-CB 3.38Å; L100-F104 PolarHBondContact O-N 3.01Å |
| 101 | N | 97.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 94.9 Ų | 94.9 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | -179.9 | -71.1 | -31.6 | 0 | 0 | 0 | 112.2 | M97 F98 F104 D105 R122 | M97-N101 VanDerWaalsContact O-CG 3.23Å; M97-N101 PolarHBondContact O-N 3.1Å; M97-N101 PolarHBondContact O-ND2 3.08Å; F98-N101 PolarHBondContact O-N 3.42Å; F98-N101 VanDerWaalsContact O-N 3.07Å; N101-F104 WeakPolarHBondContact O-CB 3.46Å; N101-F104 PolarHBondContact O-N 3.37Å; N101-D105 PolarHBondContact O-N 3Å; N101-R122 PolarHBondContact OD1-NH2 2.75Å |
| 102 | E | 97.1 | Very high | 96.6 | Very high | 119 Ų | 119 | 94.3 Ų | 94.3 | 56% | 0.556 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.5 | -50.5 | 175.5 | -175.6 | 178.3 | -166.4 | 0 | 0 | 111.5 | F98 S99 L100 F104 D105 E106 | F98-E102 PolarHBondContact O-N 3.15Å; S99-E102 PolarHBondContact O-N 3.07Å; L100-E102 VanDerWaalsContact C-N 3.31Å; L100-E102 PolarHBondContact O-N 3.15Å; E102-F104 PolarHBondContact O-N 3.46Å; E102-D105 PolarHBondContact O-N 3.39Å; E102-E106 PolarHBondContact O-N 3.42Å |
| 103 | A | 97.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 90.2 Ų | 90.2 | 47% | 0.471 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.7 | -33.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S99 L100 E106 L107 | S99-A103 PolarHBondContact O-N 3.19Å; S99-A103 VanDerWaalsContact O-N 3.16Å; L100-A103 PolarHBondContact O-N 3.04Å; A103-E106 PolarHBondContact O-N 3.3Å; A103-L107 PolarHBondContact O-N 3.12Å |
| 104 | F | 97.8 | Very high | 95.5 | Very high | 23 Ų | 23 | 93.5 Ų | 93.5 | 10% | 0.101 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.1 | -36.9 | 176.7 | -154.2 | -79.6 | 0 | 0 | 0 | 112.6 | L100 N101 E102 L107 R108 R122 T125 L126 | L100-F104 WeakPolarHBondContact O-CB 3.38Å; L100-F104 PolarHBondContact O-N 3.01Å; N101-F104 WeakPolarHBondContact O-CB 3.46Å; N101-F104 PolarHBondContact O-N 3.37Å; E102-F104 PolarHBondContact O-N 3.46Å; F104-L107 PolarHBondContact O-N 2.86Å; F104-R108 HydrophobicContact CD1-CG 4.38Å; F104-R108 VanDerWaalsContact CD1-NH1 3.35Å; F104-R108 HydrophobicContact CE1-CG 4.41Å; F104-R108 WeakPolarHBondContact O-CG 3.41Å; F104-R108 PolarHBondContact O-N 3.47Å; F104-R108 VanDerWaalsContact O-N 3.08Å; F104-R122 HydrophobicContact CD1-CG 4.39Å; F104-R122 HydrophobicContact CE1-CB 4.19Å; F104-R122 HydrophobicContact CE1-CG 3.93Å; F104-R122 HydrophobicContact CE2-CB 4.17Å; F104-R122 HydrophobicContact CE2-CG 4.12Å; F104-R122 HydrophobicContact CZ-CB 3.72Å; F104-R122 HydrophobicContact CZ-CG 3.82Å; F104-R122 VanDerWaalsContact CZ-O 3.31Å; F104-R122 WeakPolarHBondContact CZ-O 3.31Å; F104-T125 HydrophobicContact CE1-CG2 3.71Å; F104-T125 WeakPolarHBondContact CE1-OG1 3.24Å; F104-T125 HydrophobicContact CZ-CG2 3.93Å; F104-L126 HydrophobicContact CE2-CD2 4.06Å; F104-L126 HydrophobicContact CE2-CG 4.09Å; F104-L126 HydrophobicContact CZ-CD2 4.49Å; F104-L126 HydrophobicContact CZ-CG 4.21Å |
| 105 | D | 96.1 | Very high | 94.2 | Very high | 61 Ų | 61 | 88.8 Ų | 88.8 | 33% | 0.326 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.8 | -35.2 | 173.4 | -79.6 | -31.9 | 0 | 0 | 0 | 111.7 | N101 E102 R108 R109 R119 | N101-D105 PolarHBondContact O-N 3Å; E102-D105 PolarHBondContact O-N 3.39Å; D105-R108 PolarHBondContact O-N 3.36Å; D105-R108 IonicContact OD1-CZ 3Å; D105-R108 IonicContact OD1-NH1 3.71Å; D105-R108 PolarHBondContact OD1-NH1 2.81Å; D105-R109 PolarHBondContact O-N 3.02Å; D105-R119 VanDerWaalsContact CG-NH2 3.25Å; D105-R119 IonicContact OD1-CZ 3.77Å; D105-R119 IonicContact OD1-NH2 2.75Å; D105-R119 PolarHBondContact OD1-NH2 2.9Å; D105-R119 IonicContact OD2-NH2 3.9Å; D105-R119 PolarHBondContact OD2-NH2 2.66Å |
| 106 | E | 96.4 | Very high | 93.2 | Very high | 120 Ų | 120 | 92.7 Ų | 92.7 | 56% | 0.561 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 171.2 | -172.3 | 179.9 | -178.7 | 0 | 0 | 111.6 | E102 A103 R108 R109 K110 | E102-E106 PolarHBondContact O-N 3.42Å; A103-E106 PolarHBondContact O-N 3.3Å; E106-R108 VanDerWaalsContact C-N 3.34Å; E106-R108 PolarHBondContact O-N 2.95Å; E106-R109 WeakPolarHBondContact O-CB 3.33Å; E106-R109 PolarHBondContact O-N 2.75Å; E106-R109 VanDerWaalsContact O-N 3.11Å; E106-K110 PolarHBondContact O-N 2.8Å |
| 107 | L | 97.1 | Very high | 92.3 | Very high | 57 Ų | 57 | 90.6 Ų | 90.6 | 30% | 0.298 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 175.3 | 177.6 | 61.4 | 0 | 0 | 0 | 111.2 | A103 F104 R109 K110 V111 T125 L126 A129 | A103-L107 PolarHBondContact O-N 3.12Å; F104-L107 PolarHBondContact O-N 2.86Å; L107-R109 PolarHBondContact O-N 2.94Å; L107-R109 VanDerWaalsContact O-N 3.15Å; L107-K110 WeakPolarHBondContact O-CB 3.46Å; L107-K110 PolarHBondContact O-N 3.32Å; L107-V111 HydrophobicContact CD1-CG2 4.07Å; L107-V111 HydrophobicContact CG-CG2 4.14Å; L107-V111 WeakPolarHBondContact O-CG2 3.41Å; L107-V111 PolarHBondContact O-N 3.37Å; L107-T125 HydrophobicContact CD2-CG2 3.93Å; L107-T125 HydrophobicContact CG-CG2 3.92Å; L107-L126 HydrophobicContact CD2-CD2 4.24Å; L107-A129 HydrophobicContact CD1-CB 4.11Å; L107-A129 HydrophobicContact CD2-CB 4.49Å |
| 108 | R | 96.1 | Very high | 91.8 | Very high | 50 Ų | 50 | 97 Ų | 97 | 19% | 0.189 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -54.9 | -35 | 177.4 | -74.5 | 177.4 | 178.3 | 113 | 4.3 | 112.9 | F104 D105 E106 K110 V111 L120 T125 | F104-R108 HydrophobicContact CD1-CG 4.38Å; F104-R108 VanDerWaalsContact CD1-NH1 3.35Å; F104-R108 HydrophobicContact CE1-CG 4.41Å; F104-R108 WeakPolarHBondContact O-CG 3.41Å; F104-R108 PolarHBondContact O-N 3.47Å; F104-R108 VanDerWaalsContact O-N 3.08Å; D105-R108 PolarHBondContact O-N 3.36Å; D105-R108 IonicContact OD1-CZ 3Å; D105-R108 IonicContact OD1-NH1 3.71Å; D105-R108 PolarHBondContact OD1-NH1 2.81Å; E106-R108 VanDerWaalsContact C-N 3.34Å; E106-R108 PolarHBondContact O-N 2.95Å; R108-K110 VanDerWaalsContact C-N 3.26Å; R108-K110 PolarHBondContact O-N 2.99Å; R108-V111 PolarHBondContact O-N 3.46Å; R108-L120 PolarHBondContact NE-O 2.9Å; R108-L120 PolarHBondContact NH2-O 3.2Å; R108-T125 HydrophobicContact CG-CG2 3.65Å |
| 109 | R | 94.4 | Very high | 91.5 | Very high | 182 Ų | 182 | 98.7 Ų | 98.7 | 69% | 0.687 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -72 | -21.5 | 179.5 | -155.6 | -177.7 | 67.7 | 83.1 | -5.3 | 113.1 | D105 E106 L107 | D105-R109 PolarHBondContact O-N 3.02Å; E106-R109 WeakPolarHBondContact O-CB 3.33Å; E106-R109 PolarHBondContact O-N 2.75Å; E106-R109 VanDerWaalsContact O-N 3.11Å; L107-R109 PolarHBondContact O-N 2.94Å; L107-R109 VanDerWaalsContact O-N 3.15Å |
| 110 | K | 94.9 | Very high | 91.3 | Very high | 125 Ų | 125 | 97.2 Ų | 97.2 | 54% | 0.543 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -92.5 | -27.9 | 177 | -62.1 | -66.6 | -173.9 | 169.4 | 0 | 112.5 | E106 L107 R108 | E106-K110 PolarHBondContact O-N 2.8Å; L107-K110 WeakPolarHBondContact O-CB 3.46Å; L107-K110 PolarHBondContact O-N 3.32Å; R108-K110 VanDerWaalsContact C-N 3.26Å; R108-K110 PolarHBondContact O-N 2.99Å |
| 111 | V | 94.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 96.1 Ų | 96.1 | 4% | 0.036 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -69.1 | 126.6 | 176.5 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | L107 R108 T113 L120 T125 L128 A129 | L107-V111 HydrophobicContact CD1-CG2 4.07Å; L107-V111 HydrophobicContact CG-CG2 4.14Å; L107-V111 WeakPolarHBondContact O-CG2 3.41Å; L107-V111 PolarHBondContact O-N 3.37Å; R108-V111 PolarHBondContact O-N 3.46Å; V111-T113 HydrophobicContact CG1-CG2 4.23Å; V111-T113 PolarHBondContact O-N 3.23Å; V111-L120 HydrophobicContact CG1-CD1 4.46Å; V111-T125 HydrophobicContact CG2-CG2 4.12Å; V111-L128 HydrophobicContact CG1-CB 3.74Å; V111-L128 HydrophobicContact CG1-CD2 3.33Å; V111-L128 HydrophobicContact CG1-CG 3.39Å; V111-A129 HydrophobicContact CG2-CB 3.85Å |
| 112 | P | 92.5 | Very high | 91.2 | Very high | 66 Ų | 66 | 99.2 Ų | 99.2 | 43% | 0.429 | 47% | 0.472 | S | S | . | . | trans | -64.9 | 117.8 | 178.6 | -19.6 | 30.7 | 0 | 0 | 0 | 111.4 | L128 Y132 | P112-L128 WeakPolarHBondContact O-CD2 3.24Å; P112-Y132 HydrophobicContact CG-CD1 4.1Å; P112-Y132 HydrophobicContact CG-CD2 3.42Å; P112-Y132 VanDerWaalsContact CG-CD2 3.42Å; P112-Y132 HydrophobicContact CG-CE1 4.08Å; P112-Y132 HydrophobicContact CG-CE2 3.41Å; P112-Y132 VanDerWaalsContact CG-CE2 3.41Å; P112-Y132 HydrophobicContact CG-CG 3.77Å | ||
| 113 | T | 88.9 | Confident | 91.2 | Very high | 68 Ų | 68 | 98 Ų | 98 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | trans | -141.1 | 160.1 | 175.3 | 63.3 | 0 | 0 | 0 | 0 | 109.9 | V111 L120 L128 | V111-T113 HydrophobicContact CG1-CG2 4.23Å; V111-T113 PolarHBondContact O-N 3.23Å; T113-L120 HydrophobicContact CG2-CD1 3.47Å; T113-L120 VanDerWaalsContact CG2-CD1 3.47Å; T113-L120 HydrophobicContact CG2-CG 4.14Å; T113-L128 HydrophobicContact CG2-CD2 4.07Å | ||
| 114 | F | 82.3 | Confident | 91.1 | Very high | 157 Ų | 157 | 100.1 Ų | 100.1 | 69% | 0.689 | 47% | 0.468 | S | S | * | . | trans | -74.5 | 143.2 | 175.5 | -62.1 | -96.3 | 0 | 0 | 0 | 110.6 | Y116 E117 | F114-Y116 PolarHBondContact O-N 3.49Å; F114-Y116 VanDerWaalsContact O-N 3.08Å; F114-E117 VanDerWaalsContact CB-CD 3.48Å; F114-E117 HydrophobicContact CB-CG 3.84Å; F114-E117 WeakPolarHBondContact CD2-OE1 3.47Å; F114-E117 PolarHBondContact N-OE2 3.18Å; F114-E117 WeakPolarHBondContact O-CB 3.47Å; F114-E117 PolarHBondContact O-N 3.23Å | ||
| 115 | A | 70.8 | Confident | 91.1 | Very high | 96 Ų | 96 | 99 Ų | 99 | 79% | 0.793 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 116 | Y | 75.3 | Confident | 91.2 | Very high | 230 Ų | 230 | 100 Ų | 100 | 90% | 0.902 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 6.5 | -180 | -52.7 | -73.3 | 0 | 0 | 0 | 113.2 | F114 | F114-Y116 PolarHBondContact O-N 3.49Å; F114-Y116 VanDerWaalsContact O-N 3.08Å |
| 117 | E | 79.9 | Confident | 91.2 | Very high | 101 Ų | 101 | 101.4 Ų | 101.4 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -76.4 | 148.6 | -179.4 | -77.5 | 171.9 | 165.1 | 0 | 0 | 112.1 | F114 | F114-E117 VanDerWaalsContact CB-CD 3.48Å; F114-E117 HydrophobicContact CB-CG 3.84Å; F114-E117 WeakPolarHBondContact CD2-OE1 3.47Å; F114-E117 PolarHBondContact N-OE2 3.18Å; F114-E117 WeakPolarHBondContact O-CB 3.47Å; F114-E117 PolarHBondContact O-N 3.23Å |
| 118 | K | 87.4 | Confident | 91.2 | Very high | 188 Ų | 188 | 101.7 Ų | 101.7 | 82% | 0.817 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 148.5 | 172.4 | 178.3 | -178.7 | 171.6 | -177.2 | 0 | 110.1 | L120 | K118-L120 PolarHBondContact O-N 2.86Å; K118-L120 VanDerWaalsContact O-N 3.12Å |
| 119 | R | 90.8 | Very high | 91.2 | Very high | 175 Ų | 175 | 100 Ų | 100 | 66% | 0.66 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 119.8 | 170.9 | -68.2 | -177.4 | 74.5 | 180 | 5.8 | 110.8 | D105 | D105-R119 VanDerWaalsContact CG-NH2 3.25Å; D105-R119 IonicContact OD1-CZ 3.77Å; D105-R119 IonicContact OD1-NH2 2.75Å; D105-R119 PolarHBondContact OD1-NH2 2.9Å; D105-R119 IonicContact OD2-NH2 3.9Å; D105-R119 PolarHBondContact OD2-NH2 2.66Å |
| 120 | L | 93.1 | Very high | 91.4 | Very high | 34 Ų | 34 | 94.8 Ų | 94.8 | 18% | 0.178 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -62 | 141.7 | 177.8 | -65 | -176.9 | 0 | 0 | 0 | 112.2 | R108 V111 T113 K118 E124 T125 L128 | R108-L120 PolarHBondContact NE-O 2.9Å; R108-L120 PolarHBondContact NH2-O 3.2Å; V111-L120 HydrophobicContact CG1-CD1 4.46Å; T113-L120 HydrophobicContact CG2-CD1 3.47Å; T113-L120 VanDerWaalsContact CG2-CD1 3.47Å; T113-L120 HydrophobicContact CG2-CG 4.14Å; K118-L120 PolarHBondContact O-N 2.86Å; K118-L120 VanDerWaalsContact O-N 3.12Å; L120-E124 HydrophobicContact CB-CB 4.34Å; L120-E124 HydrophobicContact CD2-CB 4.43Å; L120-T125 WeakPolarHBondContact CB-OG1 3.41Å; L120-L128 HydrophobicContact CD1-CD2 4.06Å |
| 121 | S | 96.3 | Very high | 91.5 | Very high | 47 Ų | 47 | 93.3 Ų | 93.3 | 33% | 0.329 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 168.2 | 170.1 | 73.5 | 0 | 0 | 0 | 0 | 111.3 | I123 E124 T125 | S121-I123 PolarHBondContact O-N 3.43Å; S121-I123 WeakPolarHBondContact OG-CG2 3.5Å; S121-E124 WeakPolarHBondContact CA-OE2 3.37Å; S121-E124 WeakPolarHBondContact CB-OE2 3.5Å; S121-E124 PolarHBondContact N-OE2 3.34Å; S121-E124 PolarHBondContact O-N 3.06Å; S121-E124 VanDerWaalsContact OG-CG 3.24Å; S121-E124 WeakPolarHBondContact OG-CG 3.31Å; S121-E124 PolarHBondContact OG-N 3.33Å; S121-E124 PolarHBondContact OG-OE2 3.39Å; S121-T125 WeakPolarHBondContact O-CB 3.35Å; S121-T125 PolarHBondContact O-N 2.96Å; S121-T125 PolarHBondContact O-OG1 2.76Å |
| 122 | R | 95.6 | Very high | 91.6 | Very high | 122 Ų | 122 | 97.1 Ų | 97.1 | 46% | 0.46 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | -179.8 | -70.9 | -171.5 | -177.5 | 150 | 6.7 | 112.2 | N101 F104 L126 | N101-R122 PolarHBondContact OD1-NH2 2.75Å; F104-R122 HydrophobicContact CD1-CG 4.39Å; F104-R122 HydrophobicContact CE1-CB 4.19Å; F104-R122 HydrophobicContact CE1-CG 3.93Å; F104-R122 HydrophobicContact CE2-CB 4.17Å; F104-R122 HydrophobicContact CE2-CG 4.12Å; F104-R122 HydrophobicContact CZ-CB 3.72Å; F104-R122 HydrophobicContact CZ-CG 3.82Å; F104-R122 VanDerWaalsContact CZ-O 3.31Å; F104-R122 WeakPolarHBondContact CZ-O 3.31Å; R122-L126 WeakPolarHBondContact O-CG 3.32Å; R122-L126 PolarHBondContact O-N 3.48Å; R122-L126 VanDerWaalsContact O-N 3.15Å |
| 123 | I | 97.6 | Very high | 91.8 | Very high | 94 Ų | 94 | 98.9 Ų | 98.9 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | -178.6 | -172.9 | 60.3 | 0 | 0 | 0 | 111.6 | S121 L126 R127 | S121-I123 PolarHBondContact O-N 3.43Å; S121-I123 WeakPolarHBondContact OG-CG2 3.5Å; I123-L126 PolarHBondContact O-N 2.64Å; I123-R127 HydrophobicContact CD1-CG 4.42Å; I123-R127 WeakPolarHBondContact O-CB 3.14Å; I123-R127 VanDerWaalsContact O-CG 3.31Å; I123-R127 WeakPolarHBondContact O-CG 3.38Å; I123-R127 PolarHBondContact O-N 3.36Å |
| 124 | E | 95.8 | Very high | 92.1 | Very high | 100 Ų | 100 | 98.4 Ų | 98.4 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 178.3 | -70.9 | 163.1 | 149.1 | 0 | 0 | 111.5 | L120 S121 L126 R127 L128 | L120-E124 HydrophobicContact CB-CB 4.34Å; L120-E124 HydrophobicContact CD2-CB 4.43Å; S121-E124 WeakPolarHBondContact CA-OE2 3.37Å; S121-E124 WeakPolarHBondContact CB-OE2 3.5Å; S121-E124 PolarHBondContact N-OE2 3.34Å; S121-E124 PolarHBondContact O-N 3.06Å; S121-E124 VanDerWaalsContact OG-CG 3.24Å; S121-E124 WeakPolarHBondContact OG-CG 3.31Å; S121-E124 PolarHBondContact OG-N 3.33Å; S121-E124 PolarHBondContact OG-OE2 3.39Å; E124-L126 VanDerWaalsContact C-N 3.32Å; E124-L126 PolarHBondContact O-N 2.8Å; E124-R127 PolarHBondContact O-N 3.33Å; E124-L128 WeakPolarHBondContact O-CB 3.46Å; E124-L128 PolarHBondContact O-N 3.25Å |
| 125 | T | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 96.3 Ų | 96.3 | 0% | 0 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 179.2 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | F104 L107 R108 V111 L120 S121 A129 | F104-T125 HydrophobicContact CE1-CG2 3.71Å; F104-T125 WeakPolarHBondContact CE1-OG1 3.24Å; F104-T125 HydrophobicContact CZ-CG2 3.93Å; L107-T125 HydrophobicContact CD2-CG2 3.93Å; L107-T125 HydrophobicContact CG-CG2 3.92Å; R108-T125 HydrophobicContact CG-CG2 3.65Å; V111-T125 HydrophobicContact CG2-CG2 4.12Å; L120-T125 WeakPolarHBondContact CB-OG1 3.41Å; S121-T125 WeakPolarHBondContact O-CB 3.35Å; S121-T125 PolarHBondContact O-N 2.96Å; S121-T125 PolarHBondContact O-OG1 2.76Å; T125-A129 VanDerWaalsContact O-CB 3.3Å; T125-A129 WeakPolarHBondContact O-CB 3.15Å; T125-A129 PolarHBondContact O-N 2.88Å |
| 126 | L | 98.2 | Very high | 94 | Very high | 83 Ų | 83 | 94.7 Ų | 94.7 | 44% | 0.435 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 178.7 | -69 | 176.5 | 0 | 0 | 0 | 112 | F104 L107 R122 I123 E124 L128 A129 I130 | F104-L126 HydrophobicContact CE2-CD2 4.06Å; F104-L126 HydrophobicContact CE2-CG 4.09Å; F104-L126 HydrophobicContact CZ-CD2 4.49Å; F104-L126 HydrophobicContact CZ-CG 4.21Å; L107-L126 HydrophobicContact CD2-CD2 4.24Å; R122-L126 WeakPolarHBondContact O-CG 3.32Å; R122-L126 PolarHBondContact O-N 3.48Å; R122-L126 VanDerWaalsContact O-N 3.15Å; I123-L126 PolarHBondContact O-N 2.64Å; E124-L126 VanDerWaalsContact C-N 3.32Å; E124-L126 PolarHBondContact O-N 2.8Å; L126-L128 PolarHBondContact O-N 2.78Å; L126-A129 PolarHBondContact O-N 2.86Å; L126-I130 WeakPolarHBondContact O-CG1 3.5Å; L126-I130 PolarHBondContact O-N 2.98Å; L126-I130 VanDerWaalsContact O-N 3.13Å |
| 127 | R | 96.8 | Very high | 95 | Very high | 149 Ų | 149 | 89.9 Ų | 89.9 | 56% | 0.562 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.8 | -47.5 | 177.3 | -74.1 | 175.2 | 176.1 | -173.6 | -2 | 111.3 | I123 E124 I130 V131 | I123-R127 HydrophobicContact CD1-CG 4.42Å; I123-R127 WeakPolarHBondContact O-CB 3.14Å; I123-R127 VanDerWaalsContact O-CG 3.31Å; I123-R127 WeakPolarHBondContact O-CG 3.38Å; I123-R127 PolarHBondContact O-N 3.36Å; E124-R127 PolarHBondContact O-N 3.33Å; R127-I130 PolarHBondContact O-N 3.13Å; R127-V131 WeakPolarHBondContact O-CG2 3.45Å; R127-V131 PolarHBondContact O-N 3.31Å; R127-V131 VanDerWaalsContact O-N 3.12Å |
| 128 | L | 96.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 91.7 Ų | 91.7 | 33% | 0.33 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69 | -36.3 | -177.5 | -168.9 | 55.9 | 0 | 0 | 0 | 112.1 | V111 P112 T113 L120 E124 L126 V131 Y132 | V111-L128 HydrophobicContact CG1-CB 3.74Å; V111-L128 HydrophobicContact CG1-CD2 3.33Å; V111-L128 HydrophobicContact CG1-CG 3.39Å; P112-L128 WeakPolarHBondContact O-CD2 3.24Å; T113-L128 HydrophobicContact CG2-CD2 4.07Å; L120-L128 HydrophobicContact CD1-CD2 4.06Å; E124-L128 WeakPolarHBondContact O-CB 3.46Å; E124-L128 PolarHBondContact O-N 3.25Å; L126-L128 PolarHBondContact O-N 2.78Å; L128-V131 PolarHBondContact O-N 3.33Å; L128-Y132 VanDerWaalsContact O-CB 3.25Å; L128-Y132 WeakPolarHBondContact O-CB 3.45Å; L128-Y132 PolarHBondContact O-N 3.09Å |
| 129 | A | 97.7 | Very high | 95.9 | Very high | 13 Ų | 13 | 88.4 Ų | 88.4 | 11% | 0.107 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L107 V111 T125 L126 Y132 I133 | L107-A129 HydrophobicContact CD1-CB 4.11Å; L107-A129 HydrophobicContact CD2-CB 4.49Å; V111-A129 HydrophobicContact CG2-CB 3.85Å; T125-A129 VanDerWaalsContact O-CB 3.3Å; T125-A129 WeakPolarHBondContact O-CB 3.15Å; T125-A129 PolarHBondContact O-N 2.88Å; L126-A129 PolarHBondContact O-N 2.86Å; A129-Y132 PolarHBondContact O-N 2.91Å; A129-I133 WeakPolarHBondContact O-CG1 3.49Å; A129-I133 PolarHBondContact O-N 3.26Å |
| 130 | I | 97.5 | Very high | 95.7 | Very high | 74 Ų | 74 | 89.9 Ų | 89.9 | 38% | 0.379 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.6 | -51.2 | 177.2 | -67.6 | 164.1 | 0 | 0 | 0 | 110 | L8 L126 R127 Y132 I133 S134 | L8-I130 HydrophobicContact CD1-CD1 4.5Å; L126-I130 WeakPolarHBondContact O-CG1 3.5Å; L126-I130 PolarHBondContact O-N 2.98Å; L126-I130 VanDerWaalsContact O-N 3.13Å; R127-I130 PolarHBondContact O-N 3.13Å; I130-Y132 VanDerWaalsContact C-N 3.28Å; I130-Y132 PolarHBondContact O-N 2.96Å; I130-I133 PolarHBondContact O-N 3.01Å; I130-S134 PolarHBondContact O-N 3.42Å; I130-S134 PolarHBondContact O-OG 2.69Å |
| 131 | V | 96.8 | Very high | 95.8 | Very high | 93 Ų | 93 | 92.7 Ų | 92.7 | 56% | 0.564 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.9 | -41.1 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | R127 L128 S134 F135 | R127-V131 WeakPolarHBondContact O-CG2 3.45Å; R127-V131 PolarHBondContact O-N 3.31Å; R127-V131 VanDerWaalsContact O-N 3.12Å; L128-V131 PolarHBondContact O-N 3.33Å; V131-S134 PolarHBondContact O-N 3.44Å; V131-F135 VanDerWaalsContact O-CB 3.31Å; V131-F135 WeakPolarHBondContact O-CB 3.43Å; V131-F135 PolarHBondContact O-N 3.26Å |
| 132 | Y | 96.6 | Very high | 95.8 | Very high | 87 Ų | 87 | 95.1 Ų | 95.1 | 34% | 0.341 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 179.8 | 179 | -123.7 | 0 | 0 | 0 | 112.5 | P112 L128 A129 I130 F135 M136 | P112-Y132 HydrophobicContact CG-CD1 4.1Å; P112-Y132 HydrophobicContact CG-CD2 3.42Å; P112-Y132 VanDerWaalsContact CG-CD2 3.42Å; P112-Y132 HydrophobicContact CG-CE1 4.08Å; P112-Y132 HydrophobicContact CG-CE2 3.41Å; P112-Y132 VanDerWaalsContact CG-CE2 3.41Å; P112-Y132 HydrophobicContact CG-CG 3.77Å; L128-Y132 VanDerWaalsContact O-CB 3.25Å; L128-Y132 WeakPolarHBondContact O-CB 3.45Å; L128-Y132 PolarHBondContact O-N 3.09Å; A129-Y132 PolarHBondContact O-N 2.91Å; I130-Y132 VanDerWaalsContact C-N 3.28Å; I130-Y132 PolarHBondContact O-N 2.96Å; Y132-F135 PolarHBondContact O-N 2.82Å; Y132-M136 HydrophobicContact CD2-CE 4.35Å; Y132-M136 HydrophobicContact CD2-CG 4.03Å; Y132-M136 HydrophobicContact CE1-CG 4.29Å; Y132-M136 HydrophobicContact CE2-CE 3.7Å; Y132-M136 HydrophobicContact CE2-CG 3.61Å; Y132-M136 HydrophobicContact CE2-SD 3.74Å; Y132-M136 VanDerWaalsContact O-CG 3.27Å; Y132-M136 WeakPolarHBondContact O-CG 3.5Å; Y132-M136 PolarHBondContact O-N 2.99Å |
| 133 | I | 96.8 | Very high | 95.8 | Very high | 103 Ų | 103 | 93.6 Ų | 93.6 | 53% | 0.528 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 175.5 | -67.8 | 167 | 0 | 0 | 0 | 110 | A129 I130 F135 M136 M137 | A129-I133 WeakPolarHBondContact O-CG1 3.49Å; A129-I133 PolarHBondContact O-N 3.26Å; I130-I133 PolarHBondContact O-N 3.01Å; I133-F135 VanDerWaalsContact C-N 3.34Å; I133-F135 PolarHBondContact O-N 3.01Å; I133-M136 PolarHBondContact O-N 3.32Å; I133-M137 HydrophobicContact CG2-CG 4.36Å; I133-M137 HydrophobicContact CG2-SD 3.93Å; I133-M137 VanDerWaalsContact O-CG 3.3Å; I133-M137 WeakPolarHBondContact O-CG 3.26Å; I133-M137 PolarHBondContact O-N 2.87Å |
| 134 | S | 96.8 | Very high | 95.7 | Very high | 58 Ų | 58 | 93.5 Ų | 93.5 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 177.8 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | I130 V131 M136 M137 D138 | I130-S134 PolarHBondContact O-N 3.42Å; I130-S134 PolarHBondContact O-OG 2.69Å; V131-S134 PolarHBondContact O-N 3.44Å; S134-M136 PolarHBondContact O-N 2.92Å; S134-M137 WeakPolarHBondContact O-CB 3.4Å; S134-M137 PolarHBondContact O-N 3.01Å; S134-M137 VanDerWaalsContact O-N 3.12Å; S134-D138 PolarHBondContact O-N 2.83Å |
| 135 | F | 96 | Very high | 95.7 | Very high | 113 Ų | 113 | 93.1 Ų | 93.1 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.2 | 174.3 | -110.3 | 0 | 0 | 0 | 112.8 | V131 Y132 I133 M137 D138 L139 | V131-F135 VanDerWaalsContact O-CB 3.31Å; V131-F135 WeakPolarHBondContact O-CB 3.43Å; V131-F135 PolarHBondContact O-N 3.26Å; Y132-F135 PolarHBondContact O-N 2.82Å; I133-F135 VanDerWaalsContact C-N 3.34Å; I133-F135 PolarHBondContact O-N 3.01Å; F135-M137 VanDerWaalsContact C-N 3.31Å; F135-D138 PolarHBondContact O-N 3.23Å; F135-L139 HydrophobicContact CD1-CD1 4.17Å; F135-L139 HydrophobicContact CD2-CD1 4.44Å; F135-L139 HydrophobicContact CE1-CD1 3.56Å; F135-L139 HydrophobicContact CE2-CD1 3.89Å; F135-L139 HydrophobicContact CE2-CG 4.23Å; F135-L139 HydrophobicContact CZ-CD1 3.41Å; F135-L139 VanDerWaalsContact CZ-CD1 3.41Å; F135-L139 HydrophobicContact CZ-CG 4.25Å; F135-L139 WeakPolarHBondContact O-CG 3.48Å; F135-L139 PolarHBondContact O-N 3.16Å |
| 136 | M | 95.4 | Very high | 95.6 | Very high | 62 Ų | 62 | 99.3 Ų | 99.3 | 31% | 0.305 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -34.2 | 174.8 | -67.1 | -70.3 | 99.6 | 0 | 0 | 111.9 | Y132 I133 S134 L139 L140 | Y132-M136 HydrophobicContact CD2-CE 4.35Å; Y132-M136 HydrophobicContact CD2-CG 4.03Å; Y132-M136 HydrophobicContact CE1-CG 4.29Å; Y132-M136 HydrophobicContact CE2-CE 3.7Å; Y132-M136 HydrophobicContact CE2-CG 3.61Å; Y132-M136 HydrophobicContact CE2-SD 3.74Å; Y132-M136 VanDerWaalsContact O-CG 3.27Å; Y132-M136 WeakPolarHBondContact O-CG 3.5Å; Y132-M136 PolarHBondContact O-N 2.99Å; I133-M136 PolarHBondContact O-N 3.32Å; S134-M136 PolarHBondContact O-N 2.92Å; M136-L139 HydrophobicContact CE-CD1 3.92Å; M136-L139 PolarHBondContact O-N 2.62Å; M136-L140 WeakPolarHBondContact O-CD1 3.41Å; M136-L140 VanDerWaalsContact O-CG 3.29Å; M136-L140 WeakPolarHBondContact O-CG 3.5Å; M136-L140 PolarHBondContact O-N 3.42Å |
| 137 | M | 96.5 | Very high | 95.4 | Very high | 129 Ų | 129 | 100.5 Ų | 100.5 | 64% | 0.635 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.1 | -34.8 | 176.7 | -71.2 | 178.3 | 67.4 | 0 | 0 | 112.9 | I133 S134 F135 L139 | I133-M137 HydrophobicContact CG2-CG 4.36Å; I133-M137 HydrophobicContact CG2-SD 3.93Å; I133-M137 VanDerWaalsContact O-CG 3.3Å; I133-M137 WeakPolarHBondContact O-CG 3.26Å; I133-M137 PolarHBondContact O-N 2.87Å; S134-M137 WeakPolarHBondContact O-CB 3.4Å; S134-M137 PolarHBondContact O-N 3.01Å; S134-M137 VanDerWaalsContact O-N 3.12Å; F135-M137 VanDerWaalsContact C-N 3.31Å; M137-L139 VanDerWaalsContact C-N 3.3Å |
| 138 | D | 94.5 | Very high | 95.3 | Very high | 139 Ų | 139 | 96.8 Ų | 96.8 | 74% | 0.743 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -74.3 | -22.4 | 178.4 | -66.8 | -22.8 | 0 | 0 | 0 | 112.9 | S134 F135 | S134-D138 PolarHBondContact O-N 2.83Å; F135-D138 PolarHBondContact O-N 3.23Å |
| 139 | L | 92 | Very high | 95.2 | Very high | 118 Ų | 118 | 99.6 Ų | 99.6 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -88 | -17.2 | 179.2 | -72.1 | 180 | 0 | 0 | 0 | 114.2 | F135 M136 M137 | F135-L139 HydrophobicContact CD1-CD1 4.17Å; F135-L139 HydrophobicContact CD2-CD1 4.44Å; F135-L139 HydrophobicContact CE1-CD1 3.56Å; F135-L139 HydrophobicContact CE2-CD1 3.89Å; F135-L139 HydrophobicContact CE2-CG 4.23Å; F135-L139 HydrophobicContact CZ-CD1 3.41Å; F135-L139 VanDerWaalsContact CZ-CD1 3.41Å; F135-L139 HydrophobicContact CZ-CG 4.25Å; F135-L139 WeakPolarHBondContact O-CG 3.48Å; F135-L139 PolarHBondContact O-N 3.16Å; M136-L139 HydrophobicContact CE-CD1 3.92Å; M136-L139 PolarHBondContact O-N 2.62Å; M137-L139 VanDerWaalsContact C-N 3.3Å |
| 140 | L | 86 | Confident | 95 | Very high | 206 Ų | 206 | 107.5 Ų | 107.5 | 100% | 1.079 | 55% | 0.554 | S | S | * | * | trans | -97.8 | 0 | -178.8 | -72 | 172.1 | 0 | 0 | 0 | 111.1 | M136 | M136-L140 WeakPolarHBondContact O-CD1 3.41Å; M136-L140 VanDerWaalsContact O-CG 3.29Å; M136-L140 WeakPolarHBondContact O-CG 3.5Å; M136-L140 PolarHBondContact O-N 3.42Å |
Retrieved 140 of 140 residues in 50.6 ms
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