| 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 | 38.2 | Very low | 42.7 | Very low | 243 Ų | 243 | 156.6 Ų | 156.6 | 100% | 1.197 | 81% | 0.813 | S | S | * | * | 0 | 113.3 | 0 | -97.8 | 165.8 | 149 | 0 | 0 | 109.1 | |||||
| 2 | V | 38.9 | Very low | 43 | Very low | 129 Ų | 129 | 159.9 Ų | 159.9 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | trans | 34 | 114.6 | 150.4 | -167.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 3 | R | 42.4 | Very low | 43.1 | Very low | 229 Ų | 229 | 153 Ų | 153 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | -168.2 | 105 | 110.1 | -106.5 | -175.9 | -170.4 | 99.7 | -0.7 | 110.3 | |||||
| 4 | R | 42.1 | Very low | 43.6 | Very low | 231 Ų | 231 | 150.1 Ų | 150.1 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -75 | 109.9 | 150.4 | -90 | -178.1 | 177.4 | 158 | -2 | 106.1 | N6 | R4-N6 PolarHBondContact O-N 3.18Š| ||
| 5 | S | 45.5 | Very low | 44.2 | Very low | 101 Ų | 101 | 149.3 Ų | 149.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -84.3 | 101.7 | 160.2 | 4.4 | 0 | 0 | 0 | 0 | 106.8 | T7 | S5-T7 PolarHBondContact O-N 3.33Š| ||
| 6 | N | 38.4 | Very low | 44.6 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -73.7 | 100.1 | 160.6 | -67.9 | -25.8 | 0 | 0 | 0 | 106.7 | R4 | R4-N6 PolarHBondContact O-N 3.18Š| ||
| 7 | T | 44.9 | Very low | 44.9 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | trans | -103.5 | 91.7 | 158.1 | 53.5 | 0 | 0 | 0 | 0 | 106.8 | S5 D9 | S5-T7 PolarHBondContact O-N 3.33Å; T7-D9 PolarHBondContact O-N 3.42Å | ||
| 8 | S | 40.4 | Very low | 45.2 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | trans | -67 | 74.4 | 161.7 | 173.7 | 0 | 0 | 0 | 0 | 107.7 | E10 | S8-E10 VanDerWaalsContact C-N 3.29Å; S8-E10 PolarHBondContact O-N 3.31Å; S8-E10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | D | 47.8 | Very low | 45.5 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | -81.6 | 91.2 | 167.3 | -69.7 | -38.9 | 0 | 0 | 0 | 106.9 | T7 | T7-D9 PolarHBondContact O-N 3.42Š| ||
| 10 | E | 43.5 | Very low | 45.7 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 77% | 0.771 | 72% | 0.721 | S | S | * | * | trans | -35.8 | 134.6 | 167.3 | -170.2 | -179.4 | 129 | 0 | 0 | 111.1 | S8 K12 | S8-E10 VanDerWaalsContact C-N 3.29Å; S8-E10 PolarHBondContact O-N 3.31Å; S8-E10 VanDerWaalsContact O-N 3.11Å; E10-K12 PolarHBondContact O-N 3.3Å | ||
| 11 | P | 47.8 | Very low | 45.9 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 72% | 0.717 | S | S | * | * | trans | -61.5 | 105 | -177.8 | 25.6 | -33.6 | 0 | 0 | 0 | 108.7 | S13 | P11-S13 PolarHBondContact O-N 3.19Š| ||
| 12 | K | 45.6 | Very low | 46.4 | Very low | 196 Ų | 196 | 128.2 Ų | 128.2 | 85% | 0.852 | 68% | 0.682 | S | S | * | * | trans | -51.3 | 105.8 | 172.8 | -152.4 | 167.8 | -171.9 | 173.9 | 0 | 107.2 | E10 T14 | E10-K12 PolarHBondContact O-N 3.3Å; K12-T14 PolarHBondContact O-N 3.3Å | ||
| 13 | S | 44.8 | Very low | 46.8 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 49% | 0.49 | 67% | 0.667 | S | S | . | * | trans | -38.1 | 117.7 | -173.7 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | P11 Q15 S16 | P11-S13 PolarHBondContact O-N 3.19Å; S13-Q15 PolarHBondContact O-N 2.69Å; S13-Q15 WeakPolarHBondContact OG-CB 3.35Å; S13-Q15 PolarHBondContact OG-N 3.39Å; S13-S16 PolarHBondContact O-N 3.47Å | ||
| 14 | T | 50.7 | Low | 47.1 | Very low | 112 Ų | 112 | 118 Ų | 118 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -9.2 | 177 | 42.5 | 0 | 0 | 0 | 0 | 113.3 | K12 A17 I18 | K12-T14 PolarHBondContact O-N 3.3Å; T14-A17 PolarHBondContact O-N 2.81Å; T14-I18 WeakPolarHBondContact O-CG1 3.48Å; T14-I18 PolarHBondContact O-N 2.9Å |
| 15 | Q | 51.9 | Low | 47.1 | Very low | 139 Ų | 139 | 111.7 Ų | 111.7 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.7 | -35.6 | -177.6 | -144.8 | 167.4 | 13 | 0 | 0 | 112.5 | S13 A17 I18 E19 | S13-Q15 PolarHBondContact O-N 2.69Å; S13-Q15 WeakPolarHBondContact OG-CB 3.35Å; S13-Q15 PolarHBondContact OG-N 3.39Å; Q15-A17 VanDerWaalsContact C-N 3.34Å; Q15-A17 PolarHBondContact O-N 3.39Å; Q15-I18 PolarHBondContact O-N 2.89Å; Q15-E19 PolarHBondContact O-N 3.26Å |
| 16 | S | 50.7 | Low | 47.2 | Very low | 77 Ų | 77 | 113.3 Ų | 113.3 | 54% | 0.538 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.6 | -27.7 | 176.5 | 67.3 | 0 | 0 | 0 | 0 | 113 | S13 I18 N20 | S13-S16 PolarHBondContact O-N 3.47Å; S16-I18 VanDerWaalsContact C-N 3.29Å; S16-I18 PolarHBondContact O-N 3.43Å; S16-N20 PolarHBondContact O-N 3.19Å; S16-N20 VanDerWaalsContact O-N 3.14Å |
| 17 | A | 49.3 | Very low | 47.5 | Very low | 58 Ų | 58 | 113.8 Ų | 113.8 | 48% | 0.479 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.4 | -36.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T14 Q15 V21 | T14-A17 PolarHBondContact O-N 2.81Å; Q15-A17 VanDerWaalsContact C-N 3.34Å; Q15-A17 PolarHBondContact O-N 3.39Å; A17-V21 WeakPolarHBondContact O-CG2 3.39Å; A17-V21 PolarHBondContact O-N 3.23Å |
| 18 | I | 51 | Low | 47.4 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 54% | 0.538 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.8 | -45.4 | 178.6 | -57 | 164.1 | 0 | 0 | 0 | 110.2 | T14 Q15 S16 N20 V21 Q22 | T14-I18 WeakPolarHBondContact O-CG1 3.48Å; T14-I18 PolarHBondContact O-N 2.9Å; Q15-I18 PolarHBondContact O-N 2.89Å; S16-I18 VanDerWaalsContact C-N 3.29Å; S16-I18 PolarHBondContact O-N 3.43Å; I18-N20 VanDerWaalsContact C-N 3.26Å; I18-N20 PolarHBondContact O-N 3.35Å; I18-V21 PolarHBondContact O-N 2.73Å; I18-Q22 WeakPolarHBondContact O-CB 3.5Å; I18-Q22 PolarHBondContact O-N 3.01Å |
| 19 | E | 51.2 | Low | 47.5 | Very low | 135 Ų | 135 | 115.8 Ų | 115.8 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.6 | -33.9 | 177.4 | -82 | -177.3 | 169.3 | 0 | 0 | 112.9 | Q15 Q22 S23 | Q15-E19 PolarHBondContact O-N 3.26Å; E19-Q22 CarbonylContact O-C 3.59Å; E19-Q22 PolarHBondContact O-N 3.29Å; E19-S23 PolarHBondContact O-N 3.22Å |
| 20 | N | 49.3 | Very low | 47.1 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.8 | -29.6 | 179.1 | -157.2 | 29.5 | 0 | 0 | 0 | 113.1 | S16 I18 Q22 S23 S24 | S16-N20 PolarHBondContact O-N 3.19Å; S16-N20 VanDerWaalsContact O-N 3.14Å; I18-N20 VanDerWaalsContact C-N 3.26Å; I18-N20 PolarHBondContact O-N 3.35Å; N20-Q22 VanDerWaalsContact C-N 3.32Å; N20-S23 PolarHBondContact O-OG 3.48Å; N20-S24 PolarHBondContact O-OG 2.92Å |
| 21 | V | 48.6 | Very low | 47 | Very low | 106 Ų | 106 | 114.4 Ų | 114.4 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.4 | -32.7 | 168.3 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | A17 I18 S24 Y25 | A17-V21 WeakPolarHBondContact O-CG2 3.39Å; A17-V21 PolarHBondContact O-N 3.23Å; I18-V21 PolarHBondContact O-N 2.73Å; V21-S24 PolarHBondContact O-N 3.14Å; V21-Y25 PolarHBondContact O-N 2.94Å |
| 22 | Q | 49.3 | Very low | 46.9 | Very low | 101 Ų | 101 | 116.6 Ų | 116.6 | 47% | 0.472 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.6 | -46.4 | 179.5 | -145.1 | 167.3 | 6.3 | 0 | 0 | 110.5 | I18 E19 N20 S24 Y25 | I18-Q22 WeakPolarHBondContact O-CB 3.5Å; I18-Q22 PolarHBondContact O-N 3.01Å; E19-Q22 CarbonylContact O-C 3.59Å; E19-Q22 PolarHBondContact O-N 3.29Å; N20-Q22 VanDerWaalsContact C-N 3.32Å; Q22-S24 PolarHBondContact O-N 3.47Å; Q22-Y25 VanDerWaalsContact C-CE1 3.41Å; Q22-Y25 VanDerWaalsContact CA-CD1 3.47Å; Q22-Y25 HydrophobicContact CB-CD1 4.42Å; Q22-Y25 HydrophobicContact CB-CE1 3.78Å; Q22-Y25 HydrophobicContact CG-CD1 4.14Å; Q22-Y25 HydrophobicContact CG-CE1 3.12Å; Q22-Y25 WeakPolarHBondContact CG-OH 3.25Å; Q22-Y25 PolarHBondContact NE2-OH 3.23Å; Q22-Y25 WeakPolarHBondContact O-CD1 3.14Å; Q22-Y25 WeakPolarHBondContact O-CE1 3.38Å; Q22-Y25 PolarHBondContact O-N 2.93Å |
| 23 | S | 48.7 | Very low | 46.8 | Very low | 67 Ų | 67 | 113.1 Ų | 113.1 | 47% | 0.469 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.7 | -27.8 | 176.5 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | E19 N20 | E19-S23 PolarHBondContact O-N 3.22Å; N20-S23 PolarHBondContact O-OG 3.48Å |
| 24 | S | 48.7 | Very low | 47.2 | Very low | 76 Ų | 76 | 115.3 Ų | 115.3 | 53% | 0.531 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -74.9 | -27.9 | -179.7 | -66.7 | 0 | 0 | 0 | 0 | 113.7 | N20 V21 Q22 | N20-S24 PolarHBondContact O-OG 2.92Å; V21-S24 PolarHBondContact O-N 3.14Å; Q22-S24 PolarHBondContact O-N 3.47Å |
| 25 | Y | 40.6 | Very low | 47 | Very low | 100 Ų | 100 | 119 Ų | 119 | 39% | 0.392 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -83.1 | -25.5 | 176.9 | 80.4 | -83.6 | 0 | 0 | 0 | 113.1 | V21 Q22 | V21-Y25 PolarHBondContact O-N 2.94Å; Q22-Y25 VanDerWaalsContact C-CE1 3.41Å; Q22-Y25 VanDerWaalsContact CA-CD1 3.47Å; Q22-Y25 HydrophobicContact CB-CD1 4.42Å; Q22-Y25 HydrophobicContact CB-CE1 3.78Å; Q22-Y25 HydrophobicContact CG-CD1 4.14Å; Q22-Y25 HydrophobicContact CG-CE1 3.12Å; Q22-Y25 WeakPolarHBondContact CG-OH 3.25Å; Q22-Y25 PolarHBondContact NE2-OH 3.23Å; Q22-Y25 WeakPolarHBondContact O-CD1 3.14Å; Q22-Y25 WeakPolarHBondContact O-CE1 3.38Å; Q22-Y25 PolarHBondContact O-N 2.93Å |
| 26 | E | 47.3 | Very low | 46.9 | Very low | 135 Ų | 135 | 116.2 Ų | 116.2 | 63% | 0.631 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.7 | -31.4 | 179.1 | -72.9 | -165.7 | 159.7 | 0 | 0 | 112.7 | S28 | E26-S28 VanDerWaalsContact C-N 3.29Å; E26-S28 PolarHBondContact O-N 2.89Å |
| 27 | L | 44.7 | Very low | 46.9 | Very low | 155 Ų | 155 | 116.6 Ų | 116.6 | 81% | 0.812 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -19.9 | 179.8 | -141.7 | 84.1 | 0 | 0 | 0 | 113.5 | ||
| 28 | S | 42.7 | Very low | 47.2 | Very low | 103 Ų | 103 | 118.9 Ų | 118.9 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -1.8 | -175.6 | -57.4 | 0 | 0 | 0 | 0 | 114.8 | E26 S30 | E26-S28 VanDerWaalsContact C-N 3.29Å; E26-S28 PolarHBondContact O-N 2.89Å; S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 2.63Å |
| 29 | Q | 44.1 | Very low | 47.6 | Very low | 162 Ų | 162 | 119.9 Ų | 119.9 | 76% | 0.757 | 65% | 0.647 | S | S | * | * | trans | -82.6 | 0.3 | 176.2 | -81.1 | -170.1 | 4.8 | 0 | 0 | 114.1 | Q31 | Q29-Q31 PolarHBondContact O-N 2.91Š| ||
| 30 | S | 39.8 | Very low | 48 | Very low | 97 Ų | 97 | 120.4 Ų | 120.4 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -77.3 | 91.6 | 171.6 | 175.6 | 0 | 0 | 0 | 0 | 111 | S28 | S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 2.63Å |
| 31 | Q | 41.3 | Very low | 48.2 | Very low | 181 Ų | 181 | 122.8 Ų | 122.8 | 85% | 0.846 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 62.9 | 57.2 | 140.3 | -155.3 | -179 | 38.1 | 0 | 0 | 116.4 | Q29 | Q29-Q31 PolarHBondContact O-N 2.91Š|
| 32 | E | 45.1 | Very low | 48.6 | Very low | 161 Ų | 161 | 122.3 Ų | 122.3 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | trans | -135.7 | 113.5 | 149.1 | -134.7 | 169.1 | -174.1 | 0 | 0 | 107.8 | I34 | E32-I34 HydrophobicContact CB-CD1 4.49Å; E32-I34 HydrophobicContact CB-CG1 4.06Å; E32-I34 PolarHBondContact O-N 3.43Å | ||
| 33 | S | 43.9 | Very low | 49 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | trans | -63.1 | 72.1 | 168.3 | 54.8 | 0 | 0 | 0 | 0 | 108 | Q35 | S33-Q35 PolarHBondContact O-N 3.49Š| ||
| 34 | I | 52.6 | Low | 49.3 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 60% | 0.595 | 67% | 0.671 | S | S | * | * | trans | -71.1 | 94.5 | 174.5 | -61.2 | 166.8 | 0 | 0 | 0 | 103.5 | E32 V36 | E32-I34 HydrophobicContact CB-CD1 4.49Å; E32-I34 HydrophobicContact CB-CG1 4.06Å; E32-I34 PolarHBondContact O-N 3.43Å; I34-V36 HydrophobicContact CG2-CG2 4.01Å; I34-V36 WeakPolarHBondContact O-CG2 3.47Å; I34-V36 PolarHBondContact O-N 3.42Å | ||
| 35 | Q | 46.8 | Very low | 49.8 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 89% | 0.888 | 69% | 0.686 | S | S | * | * | trans | -55.3 | 89.2 | 158.1 | -110.9 | -178.4 | -20.1 | 0 | 0 | 105.4 | S33 N37 | S33-Q35 PolarHBondContact O-N 3.49Å; Q35-N37 VanDerWaalsContact C-N 3.33Å; Q35-N37 PolarHBondContact O-N 2.9Å | ||
| 36 | V | 49.7 | Very low | 50.7 | Low | 80 Ų | 80 | 134.6 Ų | 134.6 | 49% | 0.485 | 71% | 0.705 | S | S | . | * | trans | -63.9 | 101.5 | 179.1 | 178.3 | 0 | 0 | 0 | 0 | 105.5 | I34 P38 Y41 | I34-V36 HydrophobicContact CG2-CG2 4.01Å; I34-V36 WeakPolarHBondContact O-CG2 3.47Å; I34-V36 PolarHBondContact O-N 3.42Å; V36-P38 WeakPolarHBondContact O-CD 3.33Å; V36-P38 VanDerWaalsContact O-N 3.15Å; V36-Y41 HydrophobicContact CG1-CD2 4.46Å; V36-Y41 HydrophobicContact CG1-CE2 3.68Å | ||
| 37 | N | 50.4 | Low | 51 | Low | 86 Ų | 86 | 134.2 Ų | 134.2 | 46% | 0.46 | 71% | 0.706 | S | S | . | * | trans | -62.5 | 118.3 | 176.6 | -172 | -28.7 | 0 | 0 | 0 | 106.4 | Q35 N39 Q40 | Q35-N37 VanDerWaalsContact C-N 3.33Å; Q35-N37 PolarHBondContact O-N 2.9Å; N37-N39 PolarHBondContact O-N 3.31Å; N37-N39 WeakPolarHBondContact OD1-CB 3.35Å; N37-N39 PolarHBondContact OD1-N 2.93Å; N37-Q40 WeakPolarHBondContact O-CB 3.48Å; N37-Q40 PolarHBondContact O-N 2.93Å | ||
| 38 | P | 56.2 | Low | 51.5 | Low | 105 Ų | 105 | 131.9 Ų | 131.9 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -60.5 | -17.2 | -175.3 | 23.4 | -33.2 | 0 | 0 | 0 | 112.4 | V36 Q40 | V36-P38 WeakPolarHBondContact O-CD 3.33Å; V36-P38 VanDerWaalsContact O-N 3.15Å; P38-Q40 VanDerWaalsContact C-N 3.34Å |
| 39 | N | 58.8 | Low | 51.9 | Low | 127 Ų | 127 | 136.1 Ų | 136.1 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -82.3 | -9 | 177.3 | -59.5 | -13.8 | 0 | 0 | 0 | 113.7 | N37 Y41 C42 | N37-N39 PolarHBondContact O-N 3.31Å; N37-N39 WeakPolarHBondContact OD1-CB 3.35Å; N37-N39 PolarHBondContact OD1-N 2.93Å; N39-Y41 VanDerWaalsContact C-N 3.27Å; N39-Y41 PolarHBondContact O-N 3.44Å; N39-C42 PolarHBondContact O-N 3.29Å |
| 40 | Q | 60.2 | Low | 52.3 | Low | 146 Ų | 146 | 133.2 Ų | 133.2 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -75.6 | -20.4 | -178.3 | -153.3 | 170.7 | 10 | 0 | 0 | 112.2 | N37 P38 C42 | N37-Q40 WeakPolarHBondContact O-CB 3.48Å; N37-Q40 PolarHBondContact O-N 2.93Å; P38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-C42 PolarHBondContact O-N 2.9Å |
| 41 | Y | 52.1 | Low | 52.8 | Low | 162 Ų | 162 | 135.2 Ų | 135.2 | 64% | 0.635 | 70% | 0.703 | S | S | * | * | trans | -88.9 | 60.4 | 163.5 | -58.1 | -76.1 | 0 | 0 | 0 | 109.7 | V36 N39 W43 | V36-Y41 HydrophobicContact CG1-CD2 4.46Å; V36-Y41 HydrophobicContact CG1-CE2 3.68Å; N39-Y41 VanDerWaalsContact C-N 3.27Å; N39-Y41 PolarHBondContact O-N 3.44Å; Y41-W43 PolarHBondContact O-N 3.47Å | ||
| 42 | C | 57.4 | Low | 53.2 | Low | 97 Ų | 97 | 132.2 Ų | 132.2 | 66% | 0.655 | 70% | 0.697 | S | S | * | * | trans | -71.7 | 88.8 | 160.3 | -166.4 | 0 | 0 | 0 | 0 | 106.1 | N39 Q40 | N39-C42 PolarHBondContact O-N 3.29Å; Q40-C42 PolarHBondContact O-N 2.9Å | ||
| 43 | W | 57.5 | Low | 53.3 | Low | 197 Ų | 197 | 130.9 Ų | 130.9 | 75% | 0.746 | 69% | 0.692 | S | S | * | * | trans | -50.9 | 135.5 | 168.5 | -64.6 | 90.1 | 0 | 0 | 0 | 107.6 | Y41 L45 | Y41-W43 PolarHBondContact O-N 3.47Å; W43-L45 PolarHBondContact O-N 3.25Å | ||
| 44 | P | 55.5 | Low | 53.7 | Low | 95 Ų | 95 | 132.7 Ų | 132.7 | 62% | 0.617 | 69% | 0.692 | S | S | * | * | trans | -52 | 114.6 | 177 | -21.6 | 30.9 | 0 | 0 | 0 | 108.1 | D46 I47 | P44-D46 PolarHBondContact O-N 3.41Å; P44-I47 PolarHBondContact O-N 2.89Å | ||
| 45 | L | 60 | Low | 53.4 | Low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -61.9 | -7.6 | 177.3 | -84.6 | 148.8 | 0 | 0 | 0 | 112.1 | W43 I47 | W43-L45 PolarHBondContact O-N 3.25Å; L45-I47 PolarHBondContact O-N 3.28Å; L45-I47 VanDerWaalsContact O-N 3.11Å |
| 46 | D | 58.2 | Low | 53.5 | Low | 149 Ų | 149 | 126.7 Ų | 126.7 | 80% | 0.797 | 68% | 0.681 | S | S | * | * | trans | -81.5 | 42.7 | 169.4 | -65.3 | -37.5 | 0 | 0 | 0 | 112.3 | P44 P48 | P44-D46 PolarHBondContact O-N 3.41Å; D46-P48 WeakPolarHBondContact O-CD 3.37Å; D46-P48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | I | 54.5 | Low | 53.5 | Low | 127 Ų | 127 | 131.4 Ų | 131.4 | 65% | 0.651 | 70% | 0.698 | S | S | * | * | trans | -65.9 | 113.5 | 158.8 | -60.8 | 166.9 | 0 | 0 | 0 | 104.5 | P44 L45 K49 | P44-I47 PolarHBondContact O-N 2.89Å; L45-I47 PolarHBondContact O-N 3.28Å; L45-I47 VanDerWaalsContact O-N 3.11Å; I47-K49 PolarHBondContact O-N 2.88Å | ||
| 48 | P | 54.3 | Low | 53.5 | Low | 107 Ų | 107 | 136.7 Ų | 136.7 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | trans | -53.1 | 123.3 | 177.3 | 21.3 | -31 | 0 | 0 | 0 | 106.9 | D46 | D46-P48 WeakPolarHBondContact O-CD 3.37Å; D46-P48 VanDerWaalsContact O-N 3.15Å | ||
| 49 | K | 51.5 | Low | 53.1 | Low | 191 Ų | 191 | 135.2 Ų | 135.2 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | trans | -38.7 | 117.9 | 177.5 | -128 | 172.7 | -175.1 | 172.7 | 0 | 106.6 | I47 I51 | I47-K49 PolarHBondContact O-N 2.88Å; K49-I51 PolarHBondContact O-N 2.93Å | ||
| 50 | P | 53 | Low | 52.4 | Low | 101 Ų | 101 | 138.2 Ų | 138.2 | 66% | 0.656 | 71% | 0.711 | S | S | * | * | trans | -52.7 | 124.3 | -178.3 | 20.3 | -30.7 | 0 | 0 | 0 | 105.6 | V52 | P50-V52 WeakPolarHBondContact O-CG2 3.24Å; P50-V52 PolarHBondContact O-N 3.4Å | ||
| 51 | I | 49.2 | Very low | 52 | Low | 140 Ų | 140 | 138.7 Ų | 138.7 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | trans | -59.9 | 100.6 | 170.4 | -62.9 | 166.8 | 0 | 0 | 0 | 102.7 | K49 M53 | K49-I51 PolarHBondContact O-N 2.93Å; I51-M53 HydrophobicContact CG2-CE 3.94Å; I51-M53 HydrophobicContact CG2-CG 4.21Å; I51-M53 HydrophobicContact CG2-SD 4.19Å; I51-M53 PolarHBondContact O-N 3.36Å | ||
| 52 | V | 49.9 | Very low | 51.7 | Low | 118 Ų | 118 | 139.3 Ų | 139.3 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | trans | -66.3 | 86.6 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 103.5 | P50 D54 | P50-V52 WeakPolarHBondContact O-CG2 3.24Å; P50-V52 PolarHBondContact O-N 3.4Å; V52-D54 PolarHBondContact O-N 2.91Å; V52-D54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | M | 48.4 | Very low | 51.4 | Low | 133 Ų | 133 | 141.4 Ų | 141.4 | 66% | 0.655 | 73% | 0.733 | S | S | * | * | trans | -64.5 | 110.4 | 161.7 | -71.9 | -66.1 | -175 | 0 | 0 | 103.7 | I51 G55 | I51-M53 HydrophobicContact CG2-CE 3.94Å; I51-M53 HydrophobicContact CG2-CG 4.21Å; I51-M53 HydrophobicContact CG2-SD 4.19Å; I51-M53 PolarHBondContact O-N 3.36Å; M53-G55 PolarHBondContact O-N 3.48Å | ||
| 54 | D | 51.6 | Low | 50.8 | Low | 159 Ų | 159 | 139.2 Ų | 139.2 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -38.2 | 111.6 | 174.7 | -90.6 | -36 | 0 | 0 | 0 | 109.9 | V52 | V52-D54 PolarHBondContact O-N 2.91Å; V52-D54 VanDerWaalsContact O-N 3.15Å |
| 55 | G | 46.7 | Very low | 50.3 | Low | 59 Ų | 59 | 140.8 Ų | 140.8 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.7 | 1.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | M53 E57 | M53-G55 PolarHBondContact O-N 3.48Å; G55-E57 PolarHBondContact O-N 3.41Å |
| 56 | D | 47.6 | Very low | 49.6 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 65% | 0.652 | 73% | 0.733 | S | S | * | * | trans | -88.2 | 37.8 | 171.4 | -76.2 | -22.1 | 0 | 0 | 0 | 112.7 | W58 | D56-W58 PolarHBondContact O-N 3.34Å; D56-W58 PolarHBondContact O-NE1 2.88Å | ||
| 57 | E | 50.8 | Low | 48.6 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | trans | -69.1 | 77.7 | 161.5 | -73.4 | -178.9 | 177.9 | 0 | 0 | 108.4 | G55 A59 | G55-E57 PolarHBondContact O-N 3.41Å; E57-A59 HydrophobicContact CB-CB 4.45Å; E57-A59 PolarHBondContact O-N 3.03Å | ||
| 58 | W | 50.5 | Low | 47.9 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | trans | -68.1 | 66.1 | 140.9 | 30.3 | -83.9 | 0 | 0 | 0 | 106.7 | D56 Y60 | D56-W58 PolarHBondContact O-N 3.34Å; D56-W58 PolarHBondContact O-NE1 2.88Å; W58-Y60 HydrophobicContact CE3-CD2 4.44Å; W58-Y60 HydrophobicContact CE3-CE2 4.04Å; W58-Y60 PolarHBondContact O-N 3.33Å | ||
| 59 | A | 46.6 | Very low | 47.2 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 61% | 0.612 | 74% | 0.737 | S | S | * | * | trans | -61.2 | 99.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 104.1 | E57 D61 | E57-A59 HydrophobicContact CB-CB 4.45Å; E57-A59 PolarHBondContact O-N 3.03Å; A59-D61 PolarHBondContact O-N 2.88Å | ||
| 60 | Y | 44.4 | Very low | 46.6 | Very low | 190 Ų | 190 | 130.2 Ų | 130.2 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | trans | -47.4 | 127.8 | 155.9 | -75.7 | -88.8 | 0 | 0 | 0 | 105.1 | W58 M62 | W58-Y60 HydrophobicContact CE3-CD2 4.44Å; W58-Y60 HydrophobicContact CE3-CE2 4.04Å; W58-Y60 PolarHBondContact O-N 3.33Å; Y60-M62 PolarHBondContact O-N 3.44Å | ||
| 61 | D | 52.2 | Low | 45.9 | Very low | 156 Ų | 156 | 132 Ų | 132 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -54.5 | 89 | 159 | -84.7 | -29.4 | 0 | 0 | 0 | 104.6 | A59 L63 | A59-D61 PolarHBondContact O-N 2.88Å; D61-L63 PolarHBondContact O-N 3.41Å | ||
| 62 | M | 45.7 | Very low | 45.1 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -61 | 88.7 | 152.6 | -90.1 | -171.3 | -56 | 0 | 0 | 101.8 | Y60 D64 | Y60-M62 PolarHBondContact O-N 3.44Å; M62-D64 PolarHBondContact O-N 2.91Å | ||
| 63 | L | 50.5 | Low | 44.4 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -27.9 | 119.6 | 151.2 | -76 | 159.8 | 0 | 0 | 0 | 105.1 | D61 V65 | D61-L63 PolarHBondContact O-N 3.41Å; L63-V65 PolarHBondContact O-N 2.88Å | ||
| 64 | D | 46.1 | Very low | 43.8 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | trans | -47.3 | 83.4 | 166.3 | -75.7 | -50.3 | 0 | 0 | 0 | 107.3 | M62 S66 | M62-D64 PolarHBondContact O-N 2.91Å; D64-S66 PolarHBondContact O-N 3.27Å | ||
| 65 | V | 45.4 | Very low | 43 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -74.8 | 69.2 | 158.8 | -176.8 | 0 | 0 | 0 | 0 | 102.2 | L63 S67 | L63-V65 PolarHBondContact O-N 2.88Å; V65-S67 VanDerWaalsContact C-N 3.3Å; V65-S67 PolarHBondContact O-N 3.4Å | ||
| 66 | S | 43.8 | Very low | 42.4 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | trans | -47.9 | 110.2 | 158.6 | -67.6 | 0 | 0 | 0 | 0 | 103.8 | D64 S68 | D64-S66 PolarHBondContact O-N 3.27Å; S66-S68 PolarHBondContact O-N 2.93Å | ||
| 67 | S | 37.9 | Very low | 41.8 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -65.6 | 65.5 | -178.7 | 31.4 | 0 | 0 | 0 | 0 | 109.3 | V65 S69 | V65-S67 VanDerWaalsContact C-N 3.3Å; V65-S67 PolarHBondContact O-N 3.4Å; S67-S69 PolarHBondContact O-N 3.02Å | ||
| 68 | S | 40.9 | Very low | 41.3 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -95.5 | 90.2 | 166.6 | 62.5 | 0 | 0 | 0 | 0 | 107.8 | S66 | S66-S68 PolarHBondContact O-N 2.93Š| ||
| 69 | S | 38.6 | Very low | 40.7 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 42.4 | 112 | 132.4 | 60.9 | 0 | 0 | 0 | 0 | 117.8 | S67 | S67-S69 PolarHBondContact O-N 3.02Š| ||
| 70 | S | 38.6 | Very low | 40.6 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 84.8 | 112.3 | 140.6 | -53.4 | 0 | 0 | 0 | 0 | 117.3 | S72 | S70-S72 PolarHBondContact O-N 3.36Š| ||
| 71 | P | 38.2 | Very low | 40.2 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -70.8 | 100.3 | 172.5 | 28.8 | -31.5 | 0 | 0 | 0 | 109.8 | S73 | P71-S73 PolarHBondContact O-N 3.38Š| ||
| 72 | S | 32.9 | Very low | 39.5 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -75.4 | 111.4 | 161.1 | 61.8 | 0 | 0 | 0 | 0 | 108.1 | S70 | S70-S72 PolarHBondContact O-N 3.36Š| ||
| 73 | S | 34.4 | Very low | 39.4 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -55.3 | 148.2 | 175.1 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | P71 | P71-S73 PolarHBondContact O-N 3.38Š| ||
| 74 | S | 35.9 | Very low | 39.1 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | 53.4 | 107.8 | 144.7 | 58.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 75 | R | 35.5 | Very low | 39.2 | Very low | 228 Ų | 228 | 140.7 Ų | 140.7 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | 163.6 | 110.7 | 111.3 | -93.1 | 170.1 | 133.6 | 174.7 | -4.8 | 110.8 | G77 | R75-G77 PolarHBondContact O-N 2.87Å; R75-G77 VanDerWaalsContact O-N 3.1Å | |||
| 76 | D | 34.6 | Very low | 39 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | 33.7 | 68.2 | 135.5 | -60.9 | -40.9 | 0 | 0 | 0 | 117.4 | ||||
| 77 | G | 34.2 | Very low | 39.3 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -118.1 | 79.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R75 | R75-G77 PolarHBondContact O-N 2.87Å; R75-G77 VanDerWaalsContact O-N 3.1Å | ||
| 78 | R | 39.7 | Very low | 39.9 | Very low | 233 Ų | 233 | 144.4 Ų | 144.4 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | 20.1 | 110.1 | 154.8 | -61.9 | 178.3 | -168.2 | -170.4 | 2 | 116.9 | A80 | R78-A80 PolarHBondContact O-N 3.49Å; R78-A80 VanDerWaalsContact O-N 3.09Å | ||
| 79 | F | 38.8 | Very low | 40.2 | Very low | 200 Ų | 200 | 148.7 Ų | 148.7 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | 13.7 | 86.2 | 146.1 | -69.8 | -87.1 | 0 | 0 | 0 | 115.6 | R81 | F79-R81 PolarHBondContact O-N 3.49Š| ||
| 80 | A | 44.2 | Very low | 40.5 | Very low | 107 Ų | 107 | 153.3 Ų | 153.3 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | trans | -71.3 | 69.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | R78 | R78-A80 PolarHBondContact O-N 3.49Å; R78-A80 VanDerWaalsContact O-N 3.09Å | ||
| 81 | R | 36.7 | Very low | 40.8 | Very low | 230 Ų | 230 | 157.3 Ų | 157.3 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -62.3 | 134.3 | 162.8 | -140.8 | 179.2 | -167.9 | -157.6 | 3.6 | 106.1 | F79 | F79-R81 PolarHBondContact O-N 3.49Š| ||
| 82 | S | 37.7 | Very low | 41.1 | Very low | 105 Ų | 105 | 153.1 Ų | 153.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 90.3 | 71.1 | 168.5 | -143.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 83 | R | 43.4 | Very low | 41.6 | Very low | 232 Ų | 232 | 153.2 Ų | 153.2 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -124.6 | 66.2 | 135.2 | -69.4 | -167.1 | -170.5 | -167.6 | 4.6 | 109.5 | T85 | R83-T85 PolarHBondContact O-N 2.89Š| ||
| 84 | M | 44.2 | Very low | 42.4 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 68.5 | 154.5 | -73.4 | 178.8 | 130.1 | 0 | 0 | 107.7 | ||||
| 85 | T | 47 | Very low | 42.7 | Very low | 101 Ų | 101 | 156.4 Ų | 156.4 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | trans | -109 | 93.6 | 175.4 | 51 | 0 | 0 | 0 | 0 | 108.5 | R83 A87 | R83-T85 PolarHBondContact O-N 2.89Å; T85-A87 PolarHBondContact O-N 2.78Å | ||
| 86 | N | 43.1 | Very low | 43.2 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 43.1 | 73.2 | 148.3 | -65.6 | -58.9 | 0 | 0 | 0 | 115 | K88 | N86-K88 PolarHBondContact O-N 3.05Š| ||
| 87 | A | 49.1 | Very low | 43.9 | Very low | 83 Ų | 83 | 155.4 Ų | 155.4 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | -63.3 | 87.8 | 148.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | T85 F89 | T85-A87 PolarHBondContact O-N 2.78Å; A87-F89 VanDerWaalsContact C-N 3.25Å; A87-F89 WeakPolarHBondContact O-CD2 3.31Å; A87-F89 PolarHBondContact O-N 3.3Å | ||
| 88 | K | 49.6 | Very low | 44.9 | Very low | 190 Ų | 190 | 161 Ų | 161 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -60.9 | 101.6 | 163.5 | -77.2 | -175.6 | 176.6 | 179.2 | 0 | 104.2 | N86 K90 | N86-K88 PolarHBondContact O-N 3.05Å; K88-K90 PolarHBondContact O-N 2.95Å | ||
| 89 | F | 48.1 | Very low | 45.5 | Very low | 186 Ų | 186 | 152 Ų | 152 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | -58.4 | 90.7 | 161.5 | -68.8 | -82.4 | 0 | 0 | 0 | 105.2 | A87 H91 | A87-F89 VanDerWaalsContact C-N 3.25Å; A87-F89 WeakPolarHBondContact O-CD2 3.31Å; A87-F89 PolarHBondContact O-N 3.3Å; F89-H91 VanDerWaalsContact C-N 3.33Å; F89-H91 PolarHBondContact O-N 2.78Å | ||
| 90 | K | 45.7 | Very low | 46.2 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | trans | -50.7 | 113.7 | 159.7 | -153.8 | 174.9 | -175 | -176.8 | 0 | 101.4 | K88 G92 | K88-K90 PolarHBondContact O-N 2.95Å; K90-G92 PolarHBondContact O-N 3.32Å | ||
| 91 | H | 44.8 | Very low | 46.8 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 88% | 0.884 | 71% | 0.713 | S | S | * | * | trans | -60.4 | 77.9 | 170.3 | -85.2 | -72.3 | 0 | 0 | 0 | 105.5 | F89 S93 | F89-H91 VanDerWaalsContact C-N 3.33Å; F89-H91 PolarHBondContact O-N 2.78Å; H91-S93 PolarHBondContact O-N 3.43Å | ||
| 92 | G | 44.7 | Very low | 48.4 | Very low | 50 Ų | 50 | 137.5 Ų | 137.5 | 52% | 0.515 | 70% | 0.7 | S | S | . | * | trans | -51.1 | 117.2 | 158 | 0 | 0 | 0 | 0 | 0 | 102.2 | K90 V94 | K90-G92 PolarHBondContact O-N 3.32Å; G92-V94 WeakPolarHBondContact O-CG2 3.34Å; G92-V94 PolarHBondContact O-N 2.86Å | ||
| 93 | S | 42.2 | Very low | 50.4 | Low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | trans | -51.6 | 88.7 | 166.4 | 177.8 | 0 | 0 | 0 | 0 | 104.9 | H91 M95 | H91-S93 PolarHBondContact O-N 3.43Å; S93-M95 PolarHBondContact O-N 3.03Å | ||
| 94 | V | 50.8 | Low | 52.2 | Low | 111 Ų | 111 | 132.4 Ų | 132.4 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | trans | -68.8 | 90.2 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 102.1 | G92 R96 | G92-V94 WeakPolarHBondContact O-CG2 3.34Å; G92-V94 PolarHBondContact O-N 2.86Å; V94-R96 VanDerWaalsContact C-N 3.32Å; V94-R96 WeakPolarHBondContact O-CA 3.25Å; V94-R96 PolarHBondContact O-N 3.31Å | ||
| 95 | M | 42.8 | Very low | 54.2 | Low | 158 Ų | 158 | 130.1 Ų | 130.1 | 78% | 0.778 | 65% | 0.654 | S | S | * | * | trans | -11.4 | 95.6 | 153.6 | -156.7 | 163.7 | 165.5 | 0 | 0 | 106.8 | S93 R97 | S93-M95 PolarHBondContact O-N 3.03Å; M95-R97 VanDerWaalsContact C-N 3.33Å; M95-R97 PolarHBondContact O-N 3.09Å | ||
| 96 | R | 46.5 | Very low | 56.2 | Low | 182 Ų | 182 | 128.7 Ų | 128.7 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | trans | -50.1 | 105.6 | -171.1 | -83.8 | -165.2 | 178.1 | -169.8 | 1.8 | 106 | V94 K98 E101 | V94-R96 VanDerWaalsContact C-N 3.32Å; V94-R96 WeakPolarHBondContact O-CA 3.25Å; V94-R96 PolarHBondContact O-N 3.31Å; R96-K98 PolarHBondContact O-N 3.46Å; R96-E101 IonicContact NH1-OE1 3.03Å; R96-E101 PolarHBondContact NH1-OE1 2.9Å | ||
| 97 | R | 49.8 | Very low | 58.4 | Low | 191 Ų | 191 | 128.7 Ų | 128.7 | 72% | 0.721 | 64% | 0.638 | S | S | * | * | trans | -57.1 | 122 | 174.1 | -69.8 | -175.6 | -171.6 | 159.5 | 1 | 103.8 | M95 G99 T100 | M95-R97 VanDerWaalsContact C-N 3.33Å; M95-R97 PolarHBondContact O-N 3.09Å; R97-G99 PolarHBondContact O-N 3.2Å; R97-T100 HydrophobicContact CB-CG2 4.38Å; R97-T100 PolarHBondContact O-N 2.97Å; R97-T100 PolarHBondContact O-OG1 3.34Å; R97-T100 VanDerWaalsContact O-OG1 3.06Å | ||
| 98 | K | 53.6 | Low | 60.5 | Low | 188 Ų | 188 | 126.8 Ų | 126.8 | 82% | 0.817 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -13.6 | 177.7 | -115.9 | 163.3 | 175 | 172.2 | 0 | 113.1 | R96 | R96-K98 PolarHBondContact O-N 3.46Š|
| 99 | G | 52.2 | Low | 62.6 | Low | 44 Ų | 44 | 124.4 Ų | 124.4 | 45% | 0.454 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117 | R97 E101 | R97-G99 PolarHBondContact O-N 3.2Å; G99-E101 VanDerWaalsContact C-N 3.32Å |
| 100 | T | 53.6 | Low | 64.9 | Low | 62 Ų | 62 | 119.9 Ų | 119.9 | 38% | 0.38 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -81.7 | -14.6 | 169.8 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | R97 D102 W103 | R97-T100 HydrophobicContact CB-CG2 4.38Å; R97-T100 PolarHBondContact O-N 2.97Å; R97-T100 PolarHBondContact O-OG1 3.34Å; R97-T100 VanDerWaalsContact O-OG1 3.06Å; T100-D102 VanDerWaalsContact C-N 3.34Å; T100-W103 PolarHBondContact O-NE1 3.49Å |
| 101 | E | 57.9 | Low | 67.3 | Low | 60 Ų | 60 | 115.5 Ų | 115.5 | 28% | 0.28 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -79.7 | -24.6 | 178 | -57.2 | -169.5 | 156.1 | 0 | 0 | 110.7 | R96 G99 W103 Q104 F105 | R96-E101 IonicContact NH1-OE1 3.03Å; R96-E101 PolarHBondContact NH1-OE1 2.9Å; G99-E101 VanDerWaalsContact C-N 3.32Å; E101-W103 VanDerWaalsContact C-N 3.35Å; E101-W103 PolarHBondContact O-N 2.97Å; E101-Q104 WeakPolarHBondContact O-CB 3.43Å; E101-Q104 PolarHBondContact O-N 3.06Å; E101-Q104 VanDerWaalsContact O-N 3.09Å; E101-F105 HydrophobicContact CB-CD2 4.06Å; E101-F105 HydrophobicContact CB-CE2 3.81Å; E101-F105 WeakPolarHBondContact O-CD2 3.3Å; E101-F105 PolarHBondContact O-N 2.85Å |
| 102 | D | 70.8 | Confident | 69.8 | Low | 110 Ų | 110 | 111.3 Ų | 111.3 | 59% | 0.588 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.5 | -40.9 | -178.4 | -64 | -28.3 | 0 | 0 | 0 | 113.1 | T100 F105 C106 | T100-D102 VanDerWaalsContact C-N 3.34Å; D102-F105 PolarHBondContact O-N 2.84Å; D102-C106 WeakPolarHBondContact O-CB 3.3Å; D102-C106 PolarHBondContact O-N 2.83Å |
| 103 | W | 78.2 | Confident | 72.3 | Confident | 135 Ų | 135 | 111.1 Ų | 111.1 | 51% | 0.511 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70 | -37.9 | 177.5 | 68.1 | -98.5 | 0 | 0 | 0 | 111.3 | T100 E101 C106 Y107 | T100-W103 PolarHBondContact O-NE1 3.49Å; E101-W103 VanDerWaalsContact C-N 3.35Å; E101-W103 PolarHBondContact O-N 2.97Å; W103-C106 WeakPolarHBondContact O-CB 3.5Å; W103-C106 PolarHBondContact O-N 2.83Å; W103-Y107 AromaticContact CE3-CD2 3.57Å; W103-Y107 HydrophobicContact CE3-CD2 3.57Å; W103-Y107 AromaticContact CE3-CE2 3.62Å; W103-Y107 HydrophobicContact CE3-CE2 3.62Å; W103-Y107 HydrophobicContact CZ3-CD2 4.12Å; W103-Y107 HydrophobicContact CZ3-CE2 4.25Å; W103-Y107 WeakPolarHBondContact O-CD2 3.4Å; W103-Y107 PolarHBondContact O-N 3.03Å |
| 104 | Q | 82.4 | Confident | 74.9 | Confident | 96 Ų | 96 | 109.4 Ų | 109.4 | 45% | 0.449 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 176.1 | -68 | -170.2 | -21.6 | 0 | 0 | 111.5 | E101 C106 Y107 A108 | E101-Q104 WeakPolarHBondContact O-CB 3.43Å; E101-Q104 PolarHBondContact O-N 3.06Å; E101-Q104 VanDerWaalsContact O-N 3.09Å; Q104-C106 VanDerWaalsContact C-N 3.3Å; Q104-C106 PolarHBondContact O-N 2.72Å; Q104-Y107 PolarHBondContact O-N 2.73Å; Q104-A108 WeakPolarHBondContact O-CB 3.29Å; Q104-A108 PolarHBondContact O-N 2.64Å |
| 105 | F | 86.2 | Confident | 77.2 | Confident | 138 Ų | 138 | 107.1 Ų | 107.1 | 61% | 0.605 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.7 | -41 | 173.2 | -77.7 | -65.7 | 0 | 0 | 0 | 111.6 | E101 D102 A108 F109 | E101-F105 HydrophobicContact CB-CD2 4.06Å; E101-F105 HydrophobicContact CB-CE2 3.81Å; E101-F105 WeakPolarHBondContact O-CD2 3.3Å; E101-F105 PolarHBondContact O-N 2.85Å; D102-F105 PolarHBondContact O-N 2.84Å; F105-A108 PolarHBondContact O-N 3.02Å; F105-F109 VanDerWaalsContact O-CB 3.31Å; F105-F109 WeakPolarHBondContact O-CB 3.4Å; F105-F109 PolarHBondContact O-N 2.7Å |
| 106 | C | 87.3 | Confident | 79.8 | Confident | 71 Ų | 71 | 103.9 Ų | 103.9 | 48% | 0.48 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 175.6 | -172 | 0 | 0 | 0 | 0 | 111.7 | D102 W103 Q104 A108 F109 L110 | D102-C106 WeakPolarHBondContact O-CB 3.3Å; D102-C106 PolarHBondContact O-N 2.83Å; W103-C106 WeakPolarHBondContact O-CB 3.5Å; W103-C106 PolarHBondContact O-N 2.83Å; Q104-C106 VanDerWaalsContact C-N 3.3Å; Q104-C106 PolarHBondContact O-N 2.72Å; C106-A108 PolarHBondContact O-N 2.59Å; C106-F109 PolarHBondContact O-N 2.9Å; C106-L110 WeakPolarHBondContact O-CG 3.41Å; C106-L110 PolarHBondContact O-N 3.21Å |
| 107 | Y | 90.9 | Very high | 82.2 | Confident | 142 Ų | 142 | 101.3 Ų | 101.3 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 176.2 | -74.9 | -74.7 | 0 | 0 | 0 | 112.5 | W103 Q104 F109 L110 I111 | W103-Y107 AromaticContact CE3-CD2 3.57Å; W103-Y107 HydrophobicContact CE3-CD2 3.57Å; W103-Y107 AromaticContact CE3-CE2 3.62Å; W103-Y107 HydrophobicContact CE3-CE2 3.62Å; W103-Y107 HydrophobicContact CZ3-CD2 4.12Å; W103-Y107 HydrophobicContact CZ3-CE2 4.25Å; W103-Y107 WeakPolarHBondContact O-CD2 3.4Å; W103-Y107 PolarHBondContact O-N 3.03Å; Q104-Y107 PolarHBondContact O-N 2.73Å; Y107-F109 VanDerWaalsContact C-N 3.32Å; Y107-F109 PolarHBondContact O-N 2.8Å; Y107-L110 PolarHBondContact O-N 2.87Å; Y107-I111 WeakPolarHBondContact O-CB 3.35Å; Y107-I111 VanDerWaalsContact O-CG1 3.24Å; Y107-I111 WeakPolarHBondContact O-CG1 3.27Å; Y107-I111 PolarHBondContact O-N 3.48Å |
| 108 | A | 91.7 | Very high | 84.5 | Confident | 42 Ų | 42 | 98.8 Ų | 98.8 | 35% | 0.347 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q104 F105 C106 I111 I112 | Q104-A108 WeakPolarHBondContact O-CB 3.29Å; Q104-A108 PolarHBondContact O-N 2.64Å; F105-A108 PolarHBondContact O-N 3.02Å; C106-A108 PolarHBondContact O-N 2.59Å; A108-I111 PolarHBondContact O-N 2.95Å; A108-I112 WeakPolarHBondContact O-CB 3.25Å; A108-I112 WeakPolarHBondContact O-CD1 3.31Å; A108-I112 WeakPolarHBondContact O-CG1 3.46Å; A108-I112 PolarHBondContact O-N 2.82Å |
| 109 | F | 95 | Very high | 86.6 | Confident | 141 Ų | 141 | 94.8 Ų | 94.8 | 62% | 0.618 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.4 | -42.9 | 177 | -173.2 | -98.2 | 0 | 0 | 0 | 112.2 | F105 C106 Y107 I111 I112 T113 | F105-F109 VanDerWaalsContact O-CB 3.31Å; F105-F109 WeakPolarHBondContact O-CB 3.4Å; F105-F109 PolarHBondContact O-N 2.7Å; C106-F109 PolarHBondContact O-N 2.9Å; Y107-F109 VanDerWaalsContact C-N 3.32Å; Y107-F109 PolarHBondContact O-N 2.8Å; F109-I111 PolarHBondContact O-N 3.29Å; F109-I112 PolarHBondContact O-N 3.22Å; F109-T113 HydrophobicContact CD1-CG2 4.07Å; F109-T113 HydrophobicContact CD2-CG2 4.49Å; F109-T113 HydrophobicContact CE1-CG2 3.68Å; F109-T113 HydrophobicContact CE2-CG2 4.14Å; F109-T113 HydrophobicContact CG-CG2 4.46Å; F109-T113 HydrophobicContact CZ-CG2 3.73Å; F109-T113 WeakPolarHBondContact O-CB 3.35Å; F109-T113 VanDerWaalsContact O-CG2 3.29Å; F109-T113 WeakPolarHBondContact O-CG2 3.32Å; F109-T113 PolarHBondContact O-N 2.88Å; F109-T113 PolarHBondContact O-OG1 2.97Å |
| 110 | L | 95.8 | Very high | 88.7 | Confident | 91 Ų | 91 | 95.5 Ų | 95.5 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 175.7 | -70.9 | 174.5 | 0 | 0 | 0 | 112 | C106 Y107 T113 T114 | C106-L110 WeakPolarHBondContact O-CG 3.41Å; C106-L110 PolarHBondContact O-N 3.21Å; Y107-L110 PolarHBondContact O-N 2.87Å; L110-T113 WeakPolarHBondContact CA-OG1 3.4Å; L110-T113 PolarHBondContact O-OG1 3.36Å; L110-T113 VanDerWaalsContact O-OG1 3.05Å; L110-T114 WeakPolarHBondContact O-CB 3.17Å; L110-T114 VanDerWaalsContact O-CG2 3.25Å; L110-T114 WeakPolarHBondContact O-CG2 3.42Å; L110-T114 PolarHBondContact O-N 2.96Å; L110-T114 PolarHBondContact O-OG1 3.01Å |
| 111 | I | 96.5 | Very high | 90.8 | Very high | 103 Ų | 103 | 94 Ų | 94 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -47.6 | 176.6 | -68.3 | 165.5 | 0 | 0 | 0 | 110.4 | Y107 A108 F109 T113 T114 C115 | Y107-I111 WeakPolarHBondContact O-CB 3.35Å; Y107-I111 VanDerWaalsContact O-CG1 3.24Å; Y107-I111 WeakPolarHBondContact O-CG1 3.27Å; Y107-I111 PolarHBondContact O-N 3.48Å; A108-I111 PolarHBondContact O-N 2.95Å; F109-I111 PolarHBondContact O-N 3.29Å; I111-T113 PolarHBondContact O-N 3.17Å; I111-T114 WeakPolarHBondContact CA-OG1 3.34Å; I111-T114 PolarHBondContact O-N 3.15Å; I111-T114 PolarHBondContact O-OG1 2.74Å; I111-C115 WeakPolarHBondContact O-CB 3.24Å; I111-C115 PolarHBondContact O-N 2.98Å; I111-C115 PolarHBondContact O-SG 2.74Å |
| 112 | I | 96.6 | Very high | 92.6 | Very high | 104 Ų | 104 | 94.7 Ų | 94.7 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 179.7 | -68.9 | 163.5 | 0 | 0 | 0 | 110.7 | A108 F109 C115 V116 | A108-I112 WeakPolarHBondContact O-CB 3.25Å; A108-I112 WeakPolarHBondContact O-CD1 3.31Å; A108-I112 WeakPolarHBondContact O-CG1 3.46Å; A108-I112 PolarHBondContact O-N 2.82Å; F109-I112 PolarHBondContact O-N 3.22Å; I112-C115 PolarHBondContact O-N 3.11Å; I112-V116 HydrophobicContact CG2-CG2 4.46Å; I112-V116 VanDerWaalsContact O-CG2 3.3Å; I112-V116 WeakPolarHBondContact O-CG2 3.47Å; I112-V116 PolarHBondContact O-N 3.05Å |
| 113 | T | 97 | Very high | 93.8 | Very high | 46 Ų | 46 | 93.4 Ų | 93.4 | 28% | 0.282 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | -179.2 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | F109 L110 I111 V116 L117 | F109-T113 HydrophobicContact CD1-CG2 4.07Å; F109-T113 HydrophobicContact CD2-CG2 4.49Å; F109-T113 HydrophobicContact CE1-CG2 3.68Å; F109-T113 HydrophobicContact CE2-CG2 4.14Å; F109-T113 HydrophobicContact CG-CG2 4.46Å; F109-T113 HydrophobicContact CZ-CG2 3.73Å; F109-T113 WeakPolarHBondContact O-CB 3.35Å; F109-T113 VanDerWaalsContact O-CG2 3.29Å; F109-T113 WeakPolarHBondContact O-CG2 3.32Å; F109-T113 PolarHBondContact O-N 2.88Å; F109-T113 PolarHBondContact O-OG1 2.97Å; L110-T113 WeakPolarHBondContact CA-OG1 3.4Å; L110-T113 PolarHBondContact O-OG1 3.36Å; L110-T113 VanDerWaalsContact O-OG1 3.05Å; I111-T113 PolarHBondContact O-N 3.17Å; T113-V116 PolarHBondContact O-N 2.63Å; T113-L117 WeakPolarHBondContact O-CG 3.08Å; T113-L117 PolarHBondContact O-N 2.77Å |
| 114 | T | 97.2 | Very high | 94.7 | Very high | 83 Ų | 83 | 93.2 Ų | 93.2 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 174.9 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | L110 I111 L117 F118 | L110-T114 WeakPolarHBondContact O-CB 3.17Å; L110-T114 VanDerWaalsContact O-CG2 3.25Å; L110-T114 WeakPolarHBondContact O-CG2 3.42Å; L110-T114 PolarHBondContact O-N 2.96Å; L110-T114 PolarHBondContact O-OG1 3.01Å; I111-T114 WeakPolarHBondContact CA-OG1 3.34Å; I111-T114 PolarHBondContact O-N 3.15Å; I111-T114 PolarHBondContact O-OG1 2.74Å; T114-L117 PolarHBondContact O-N 2.58Å; T114-F118 VanDerWaalsContact O-CB 3.27Å; T114-F118 WeakPolarHBondContact O-CB 3.4Å; T114-F118 PolarHBondContact O-N 2.73Å |
| 115 | C | 98.2 | Very high | 95.2 | Very high | 63 Ų | 63 | 93.4 Ų | 93.4 | 43% | 0.426 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 173.4 | -74.9 | 0 | 0 | 0 | 0 | 112.2 | I111 I112 F118 I119 | I111-C115 WeakPolarHBondContact O-CB 3.24Å; I111-C115 PolarHBondContact O-N 2.98Å; I111-C115 PolarHBondContact O-SG 2.74Å; I112-C115 PolarHBondContact O-N 3.11Å; C115-F118 PolarHBondContact O-N 2.8Å; C115-I119 WeakPolarHBondContact O-CB 3.09Å; C115-I119 VanDerWaalsContact O-CG1 3.25Å; C115-I119 WeakPolarHBondContact O-CG1 3.37Å; C115-I119 PolarHBondContact O-N 2.91Å |
| 116 | V | 97.8 | Very high | 95.5 | Very high | 90 Ų | 90 | 91.5 Ų | 91.5 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 178.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | I112 T113 F118 I119 A120 | I112-V116 HydrophobicContact CG2-CG2 4.46Å; I112-V116 VanDerWaalsContact O-CG2 3.3Å; I112-V116 WeakPolarHBondContact O-CG2 3.47Å; I112-V116 PolarHBondContact O-N 3.05Å; T113-V116 PolarHBondContact O-N 2.63Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 PolarHBondContact O-N 3.01Å; V116-I119 PolarHBondContact O-N 2.73Å; V116-A120 WeakPolarHBondContact O-CB 3.44Å; V116-A120 PolarHBondContact O-N 3.11Å |
| 117 | L | 97.3 | Very high | 95.5 | Very high | 128 Ų | 128 | 90.8 Ų | 90.8 | 67% | 0.67 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | 177.1 | -69.5 | 174.5 | 0 | 0 | 0 | 112 | T113 T114 A120 G121 | T113-L117 WeakPolarHBondContact O-CG 3.08Å; T113-L117 PolarHBondContact O-N 2.77Å; T114-L117 PolarHBondContact O-N 2.58Å; L117-A120 PolarHBondContact O-N 3.38Å; L117-G121 PolarHBondContact O-N 3.47Å |
| 118 | F | 98.2 | Very high | 95.4 | Very high | 138 Ų | 138 | 88.2 Ų | 88.2 | 61% | 0.605 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.3 | -46.6 | 176.8 | -176.8 | -105.9 | 0 | 0 | 0 | 111.6 | T114 C115 V116 G121 L122 | T114-F118 VanDerWaalsContact O-CB 3.27Å; T114-F118 WeakPolarHBondContact O-CB 3.4Å; T114-F118 PolarHBondContact O-N 2.73Å; C115-F118 PolarHBondContact O-N 2.8Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 PolarHBondContact O-N 3.01Å; F118-G121 PolarHBondContact O-N 2.85Å; F118-L122 HydrophobicContact CD1-CD1 3.9Å; F118-L122 HydrophobicContact CD1-CG 4.38Å; F118-L122 HydrophobicContact CE1-CD1 3.41Å; F118-L122 VanDerWaalsContact CE1-CD1 3.41Å; F118-L122 HydrophobicContact CE1-CG 4.08Å; F118-L122 HydrophobicContact CZ-CD1 3.84Å; F118-L122 HydrophobicContact CZ-CD2 4.25Å; F118-L122 HydrophobicContact CZ-CG 4.15Å; F118-L122 WeakPolarHBondContact O-CG 3.49Å; F118-L122 PolarHBondContact O-N 2.83Å |
| 119 | I | 97.2 | Very high | 95 | Very high | 104 Ų | 104 | 88.9 Ų | 88.9 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.6 | -66.8 | 165.4 | 0 | 0 | 0 | 110.6 | C115 V116 G121 L122 V123 | C115-I119 WeakPolarHBondContact O-CB 3.09Å; C115-I119 VanDerWaalsContact O-CG1 3.25Å; C115-I119 WeakPolarHBondContact O-CG1 3.37Å; C115-I119 PolarHBondContact O-N 2.91Å; V116-I119 PolarHBondContact O-N 2.73Å; I119-G121 VanDerWaalsContact C-N 3.31Å; I119-G121 PolarHBondContact O-N 3.09Å; I119-L122 PolarHBondContact O-N 2.99Å; I119-V123 HydrophobicContact CG2-CG2 4.45Å; I119-V123 WeakPolarHBondContact O-CG2 3.5Å; I119-V123 PolarHBondContact O-N 2.96Å |
| 120 | A | 96.8 | Very high | 94.3 | Very high | 58 Ų | 58 | 87.5 Ų | 87.5 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V116 L117 V123 F124 | V116-A120 WeakPolarHBondContact O-CB 3.44Å; V116-A120 PolarHBondContact O-N 3.11Å; L117-A120 PolarHBondContact O-N 3.38Å; A120-V123 PolarHBondContact O-N 3.17Å; A120-F124 WeakPolarHBondContact O-CB 3.48Å; A120-F124 PolarHBondContact O-N 3.37Å |
| 121 | G | 97.3 | Very high | 93.3 | Very high | 31 Ų | 31 | 90.6 Ų | 90.6 | 32% | 0.32 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L117 F118 I119 F124 I125 | L117-G121 PolarHBondContact O-N 3.47Å; F118-G121 PolarHBondContact O-N 2.85Å; I119-G121 VanDerWaalsContact C-N 3.31Å; I119-G121 PolarHBondContact O-N 3.09Å; G121-F124 PolarHBondContact O-N 3.49Å; G121-I125 VanDerWaalsContact O-CG1 3.3Å; G121-I125 WeakPolarHBondContact O-CG1 3.44Å; G121-I125 PolarHBondContact O-N 3.1Å |
| 122 | L | 96.9 | Very high | 92 | Very high | 75 Ų | 75 | 92.6 Ų | 92.6 | 39% | 0.393 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.3 | -72.1 | -179.6 | 0 | 0 | 0 | 112 | F118 I119 F124 I125 I126 | F118-L122 HydrophobicContact CD1-CD1 3.9Å; F118-L122 HydrophobicContact CD1-CG 4.38Å; F118-L122 HydrophobicContact CE1-CD1 3.41Å; F118-L122 VanDerWaalsContact CE1-CD1 3.41Å; F118-L122 HydrophobicContact CE1-CG 4.08Å; F118-L122 HydrophobicContact CZ-CD1 3.84Å; F118-L122 HydrophobicContact CZ-CD2 4.25Å; F118-L122 HydrophobicContact CZ-CG 4.15Å; F118-L122 WeakPolarHBondContact O-CG 3.49Å; F118-L122 PolarHBondContact O-N 2.83Å; I119-L122 PolarHBondContact O-N 2.99Å; L122-F124 VanDerWaalsContact C-N 3.3Å; L122-F124 PolarHBondContact O-N 3.47Å; L122-I125 PolarHBondContact O-N 2.9Å; L122-I126 WeakPolarHBondContact O-CB 3.44Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.48Å; L122-I126 PolarHBondContact O-N 2.96Å |
| 123 | V | 95.6 | Very high | 90.5 | Very high | 83 Ų | 83 | 94.4 Ų | 94.4 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | I119 A120 I126 T127 | I119-V123 HydrophobicContact CG2-CG2 4.45Å; I119-V123 WeakPolarHBondContact O-CG2 3.5Å; I119-V123 PolarHBondContact O-N 2.96Å; A120-V123 PolarHBondContact O-N 3.17Å; V123-I126 PolarHBondContact O-N 3.29Å; V123-T127 WeakPolarHBondContact O-CB 3.36Å; V123-T127 PolarHBondContact O-N 3.18Å; V123-T127 PolarHBondContact O-OG1 3.31Å |
| 124 | F | 96 | Very high | 88.6 | Confident | 130 Ų | 130 | 95 Ų | 95 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.5 | -47.9 | 176.6 | -177 | -99.1 | 0 | 0 | 0 | 112.1 | A120 G121 L122 I126 T127 Q128 | A120-F124 WeakPolarHBondContact O-CB 3.48Å; A120-F124 PolarHBondContact O-N 3.37Å; G121-F124 PolarHBondContact O-N 3.49Å; L122-F124 VanDerWaalsContact C-N 3.3Å; L122-F124 PolarHBondContact O-N 3.47Å; F124-I126 PolarHBondContact O-N 3.32Å; F124-T127 PolarHBondContact O-N 3.28Å; F124-Q128 HydrophobicContact CD1-CG 4.18Å; F124-Q128 HydrophobicContact CE1-CG 3.85Å; F124-Q128 HydrophobicContact CE2-CG 4.47Å; F124-Q128 HydrophobicContact CZ-CG 4.02Å; F124-Q128 WeakPolarHBondContact O-CG 3.18Å; F124-Q128 PolarHBondContact O-N 3.05Å |
| 125 | I | 93.6 | Very high | 86.7 | Confident | 101 Ų | 101 | 93.1 Ų | 93.1 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 177.9 | -67.3 | 165 | 0 | 0 | 0 | 110.7 | G121 L122 T127 Q128 T129 | G121-I125 VanDerWaalsContact O-CG1 3.3Å; G121-I125 WeakPolarHBondContact O-CG1 3.44Å; G121-I125 PolarHBondContact O-N 3.1Å; L122-I125 PolarHBondContact O-N 2.9Å; I125-T127 VanDerWaalsContact C-N 3.27Å; I125-T127 PolarHBondContact O-N 2.82Å; I125-Q128 PolarHBondContact O-N 3.37Å; I125-T129 HydrophobicContact CG2-CG2 4.4Å; I125-T129 VanDerWaalsContact O-CG2 3.31Å; I125-T129 WeakPolarHBondContact O-CG2 3.48Å; I125-T129 PolarHBondContact O-N 3.48Å |
| 126 | I | 91.5 | Very high | 84.6 | Confident | 98 Ų | 98 | 95.1 Ų | 95.1 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 177.9 | -68.1 | 165.2 | 0 | 0 | 0 | 110.1 | L122 V123 F124 Q128 T129 Q130 | L122-I126 WeakPolarHBondContact O-CB 3.44Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.48Å; L122-I126 PolarHBondContact O-N 2.96Å; V123-I126 PolarHBondContact O-N 3.29Å; F124-I126 PolarHBondContact O-N 3.32Å; I126-Q128 PolarHBondContact O-N 3.49Å; I126-T129 PolarHBondContact O-N 3.14Å; I126-T129 PolarHBondContact O-OG1 3.5Å; I126-Q130 WeakPolarHBondContact O-CG 3.43Å; I126-Q130 PolarHBondContact O-N 3.21Å |
| 127 | T | 89 | Confident | 82.5 | Confident | 55 Ų | 55 | 99.4 Ų | 99.4 | 34% | 0.337 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 179.9 | -50.9 | 0 | 0 | 0 | 0 | 110.9 | V123 F124 I125 T129 Q130 Y131 | V123-T127 WeakPolarHBondContact O-CB 3.36Å; V123-T127 PolarHBondContact O-N 3.18Å; V123-T127 PolarHBondContact O-OG1 3.31Å; F124-T127 PolarHBondContact O-N 3.28Å; I125-T127 VanDerWaalsContact C-N 3.27Å; I125-T127 PolarHBondContact O-N 2.82Å; T127-T129 PolarHBondContact O-N 3.21Å; T127-Q130 PolarHBondContact O-N 3.28Å; T127-Y131 HydrophobicContact CG2-CD2 3.73Å; T127-Y131 HydrophobicContact CG2-CE2 3.27Å; T127-Y131 WeakPolarHBondContact O-CD2 3.34Å; T127-Y131 PolarHBondContact O-N 3.19Å |
| 128 | Q | 88 | Confident | 80.5 | Confident | 88 Ų | 88 | 104.2 Ų | 104.2 | 41% | 0.411 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.8 | -68.9 | -65.3 | -0.5 | 0 | 0 | 112.1 | F124 I125 I126 Q130 Y131 E132 | F124-Q128 HydrophobicContact CD1-CG 4.18Å; F124-Q128 HydrophobicContact CE1-CG 3.85Å; F124-Q128 HydrophobicContact CE2-CG 4.47Å; F124-Q128 HydrophobicContact CZ-CG 4.02Å; F124-Q128 WeakPolarHBondContact O-CG 3.18Å; F124-Q128 PolarHBondContact O-N 3.05Å; I125-Q128 PolarHBondContact O-N 3.37Å; I126-Q128 PolarHBondContact O-N 3.49Å; Q128-Q130 VanDerWaalsContact C-N 3.25Å; Q128-Q130 PolarHBondContact O-N 3.15Å; Q128-Y131 PolarHBondContact O-N 3.37Å; Q128-Y131 VanDerWaalsContact O-N 3.14Å; Q128-E132 PolarHBondContact O-N 2.84Å |
| 129 | T | 84.3 | Confident | 78.3 | Confident | 56 Ų | 56 | 102.5 Ų | 102.5 | 34% | 0.344 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -30.6 | 178.3 | 65.4 | 0 | 0 | 0 | 0 | 112.8 | I125 I126 T127 K133 | I125-T129 HydrophobicContact CG2-CG2 4.4Å; I125-T129 VanDerWaalsContact O-CG2 3.31Å; I125-T129 WeakPolarHBondContact O-CG2 3.48Å; I125-T129 PolarHBondContact O-N 3.48Å; I126-T129 PolarHBondContact O-N 3.14Å; I126-T129 PolarHBondContact O-OG1 3.5Å; T127-T129 PolarHBondContact O-N 3.21Å; T129-K133 WeakPolarHBondContact O-CB 3.33Å; T129-K133 VanDerWaalsContact O-CG 3.25Å; T129-K133 WeakPolarHBondContact O-CG 3.4Å; T129-K133 PolarHBondContact O-N 3.43Å |
| 130 | Q | 79.6 | Confident | 75.8 | Confident | 113 Ų | 113 | 109.2 Ų | 109.2 | 53% | 0.528 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.7 | -37.3 | 174.5 | -68.8 | -71.1 | 15.1 | 0 | 0 | 111.6 | I126 T127 Q128 K133 S134 | I126-Q130 WeakPolarHBondContact O-CG 3.43Å; I126-Q130 PolarHBondContact O-N 3.21Å; T127-Q130 PolarHBondContact O-N 3.28Å; Q128-Q130 VanDerWaalsContact C-N 3.25Å; Q128-Q130 PolarHBondContact O-N 3.15Å; Q130-K133 PolarHBondContact O-N 3.31Å; Q130-S134 WeakPolarHBondContact O-CB 3.42Å; Q130-S134 PolarHBondContact O-N 3.19Å; Q130-S134 PolarHBondContact O-OG 3.29Å |
| 131 | Y | 74 | Confident | 74.8 | Confident | 156 Ų | 156 | 111.8 Ų | 111.8 | 61% | 0.612 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -41 | 174 | -78.2 | -57.8 | 0 | 0 | 0 | 112.1 | T127 Q128 S134 G135 | T127-Y131 HydrophobicContact CG2-CD2 3.73Å; T127-Y131 HydrophobicContact CG2-CE2 3.27Å; T127-Y131 WeakPolarHBondContact O-CD2 3.34Å; T127-Y131 PolarHBondContact O-N 3.19Å; Q128-Y131 PolarHBondContact O-N 3.37Å; Q128-Y131 VanDerWaalsContact O-N 3.14Å; Y131-S134 WeakPolarHBondContact CA-OG 2.81Å; Y131-S134 PolarHBondContact O-N 2.96Å; Y131-S134 PolarHBondContact O-OG 3.18Å; Y131-G135 WeakPolarHBondContact O-CA 3.35Å; Y131-G135 PolarHBondContact O-N 3.31Å |
| 132 | E | 70.3 | Confident | 73.6 | Confident | 145 Ų | 145 | 116 Ų | 116 | 68% | 0.678 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.7 | -46.4 | 174.2 | -72.1 | -165.5 | 154.1 | 0 | 0 | 111.6 | Q128 S134 G135 V136 | Q128-E132 PolarHBondContact O-N 2.84Å; E132-S134 VanDerWaalsContact C-N 3.34Å; E132-S134 PolarHBondContact O-N 2.9Å; E132-G135 PolarHBondContact O-N 2.75Å; E132-V136 WeakPolarHBondContact O-CG2 2.84Å; E132-V136 PolarHBondContact O-N 2.85Å |
| 133 | K | 64.2 | Low | 72.3 | Confident | 141 Ų | 141 | 118.3 Ų | 118.3 | 61% | 0.613 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.8 | -36.3 | 178.9 | -74 | 173.8 | -176.5 | 177.2 | 0 | 113.3 | T129 Q130 | T129-K133 WeakPolarHBondContact O-CB 3.33Å; T129-K133 VanDerWaalsContact O-CG 3.25Å; T129-K133 WeakPolarHBondContact O-CG 3.4Å; T129-K133 PolarHBondContact O-N 3.43Å; Q130-K133 PolarHBondContact O-N 3.31Å |
| 134 | S | 58.2 | Low | 70.9 | Confident | 60 Ų | 60 | 120.4 Ų | 120.4 | 42% | 0.42 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -82.3 | -30.7 | 178.8 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | Q130 Y131 E132 K137 | Q130-S134 WeakPolarHBondContact O-CB 3.42Å; Q130-S134 PolarHBondContact O-N 3.19Å; Q130-S134 PolarHBondContact O-OG 3.29Å; Y131-S134 WeakPolarHBondContact CA-OG 2.81Å; Y131-S134 PolarHBondContact O-N 2.96Å; Y131-S134 PolarHBondContact O-OG 3.18Å; E132-S134 VanDerWaalsContact C-N 3.34Å; E132-S134 PolarHBondContact O-N 2.9Å; S134-K137 PolarHBondContact O-N 2.86Å |
| 135 | G | 56.7 | Low | 69.4 | Low | 42 Ų | 42 | 119.8 Ų | 119.8 | 43% | 0.433 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63 | -41.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y131 E132 K137 R138 | Y131-G135 WeakPolarHBondContact O-CA 3.35Å; Y131-G135 PolarHBondContact O-N 3.31Å; E132-G135 PolarHBondContact O-N 2.75Å; G135-K137 VanDerWaalsContact C-N 3.26Å; G135-K137 PolarHBondContact O-N 2.72Å; G135-R138 PolarHBondContact O-N 3.44Å |
| 136 | V | 53.5 | Low | 67.7 | Low | 105 Ų | 105 | 121 Ų | 121 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.9 | -33.2 | 177.2 | 174.6 | 0 | 0 | 0 | 0 | 112 | E132 R138 S139 | E132-V136 WeakPolarHBondContact O-CG2 2.84Å; E132-V136 PolarHBondContact O-N 2.85Å; V136-R138 VanDerWaalsContact C-N 3.28Å; V136-R138 PolarHBondContact O-N 3.39Å; V136-S139 PolarHBondContact O-N 3.05Å |
| 137 | K | 54.6 | Low | 66 | Low | 180 Ų | 180 | 122.6 Ų | 122.6 | 78% | 0.783 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -16.8 | 179.6 | -70.3 | -172.4 | 179.5 | -174.5 | 0 | 114.4 | S134 G135 | S134-K137 PolarHBondContact O-N 2.86Å; G135-K137 VanDerWaalsContact C-N 3.26Å; G135-K137 PolarHBondContact O-N 2.72Å |
| 138 | R | 55.5 | Low | 64.3 | Low | 229 Ų | 229 | 127.8 Ų | 127.8 | 86% | 0.864 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -9.2 | 178 | -74.7 | -171 | -165.9 | 161.1 | 5.2 | 114 | G135 V136 | G135-R138 PolarHBondContact O-N 3.44Å; V136-R138 VanDerWaalsContact C-N 3.28Å; V136-R138 PolarHBondContact O-N 3.39Å |
| 139 | S | 51.4 | Low | 62.3 | Low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | trans | -101.5 | 12.8 | -178.4 | 97.4 | 0 | 0 | 0 | 0 | 114.4 | V136 | V136-S139 PolarHBondContact O-N 3.05Š| ||
| 140 | M | 45.2 | Very low | 60.3 | Low | 244 Ų | 244 | 138 Ų | 138 | 100% | 1.202 | 68% | 0.681 | S | S | * | * | trans | -108.7 | 0 | 169.8 | -90.3 | -173.9 | 134.3 | 0 | 0 | 110.8 |
Retrieved 140 of 140 residues in 58.3 ms
(Link to these results)