| 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 | 47.4 | Very low | 62.3 | Low | 232 Ų | 232 | 138.3 Ų | 138.3 | 100% | 1.143 | 68% | 0.681 | S | S | * | * | 0 | 52.1 | 0 | -65.9 | -68.5 | -176.5 | 0 | 0 | 112.3 | |||||
| 2 | L | 54.6 | Low | 63.9 | Low | 151 Ų | 151 | 135 Ų | 135 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | trans | -131.1 | 14.6 | 177.5 | -81.3 | 105.2 | 0 | 0 | 0 | 113.9 | ||||
| 3 | G | 54.2 | Low | 65.4 | Low | 76 Ų | 76 | 128.6 Ų | 128.6 | 78% | 0.784 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -81.7 | -19.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | C5 | G3-C5 VanDerWaalsContact C-N 3.34Š|
| 4 | I | 56.8 | Low | 66.8 | Low | 139 Ų | 139 | 123 Ų | 123 | 71% | 0.713 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -89 | -8 | -175.3 | -51.2 | 161.6 | 0 | 0 | 0 | 111 | R8 | I4-R8 WeakPolarHBondContact O-CB 3.43Š|
| 5 | C | 55.5 | Low | 67.8 | Low | 59 Ų | 59 | 119.1 Ų | 119.1 | 40% | 0.399 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -87.3 | -11.8 | -167.6 | -56.2 | 0 | 0 | 0 | 0 | 114.9 | G3 R9 | G3-C5 VanDerWaalsContact C-N 3.34Å; C5-R9 WeakPolarHBondContact O-CG 3.46Å; C5-R9 PolarHBondContact O-NE 3.23Å |
| 6 | R | 59.5 | Low | 69.1 | Low | 191 Ų | 191 | 118.1 Ų | 118.1 | 72% | 0.721 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -88 | -38.2 | 180 | -77.3 | -178.4 | 81.9 | 96.4 | -3.7 | 113.3 | ||
| 7 | G | 62.2 | Low | 70.2 | Confident | 33 Ų | 33 | 114.7 Ų | 114.7 | 34% | 0.34 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72.3 | -46.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R9 K10 F11 | G7-R9 VanDerWaalsContact C-N 3.28Å; G7-R9 PolarHBondContact O-N 3.49Å; G7-K10 WeakPolarHBondContact O-CB 3.36Å; G7-K10 PolarHBondContact O-N 2.86Å; G7-F11 WeakPolarHBondContact O-CD2 3.47Å; G7-F11 PolarHBondContact O-N 3.18Å |
| 8 | R | 66.7 | Low | 71.1 | Confident | 169 Ų | 169 | 115.9 Ų | 115.9 | 64% | 0.638 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59 | -34.6 | -176.3 | -162.6 | 172 | 179.2 | -177 | -0.8 | 113.5 | I4 F11 L12 | I4-R8 WeakPolarHBondContact O-CB 3.43Å; R8-F11 PolarHBondContact O-N 3.48Å; R8-L12 HydrophobicContact CG-CD1 4.15Å; R8-L12 HydrophobicContact CG-CG 4.41Å; R8-L12 VanDerWaalsContact O-CB 3.23Å; R8-L12 WeakPolarHBondContact O-CB 3.48Å; R8-L12 WeakPolarHBondContact O-CD1 3.47Å; R8-L12 WeakPolarHBondContact O-CG 3.46Å; R8-L12 PolarHBondContact O-N 3.22Å |
| 9 | R | 74.3 | Confident | 72.1 | Confident | 153 Ų | 153 | 116.4 Ų | 116.4 | 58% | 0.577 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.9 | -36.7 | 174.2 | -77.7 | -176.8 | -72.9 | 177.9 | -3.2 | 113.2 | C5 G7 A13 | C5-R9 WeakPolarHBondContact O-CG 3.46Å; C5-R9 PolarHBondContact O-NE 3.23Å; G7-R9 VanDerWaalsContact C-N 3.28Å; G7-R9 PolarHBondContact O-N 3.49Å; R9-A13 VanDerWaalsContact O-CB 3.3Å; R9-A13 WeakPolarHBondContact O-CB 3.14Å; R9-A13 PolarHBondContact O-N 2.97Å |
| 10 | K | 77.2 | Confident | 72.9 | Confident | 162 Ų | 162 | 112.9 Ų | 112.9 | 70% | 0.704 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.4 | -40.4 | 176.6 | -62.2 | 178.9 | 178.8 | -175 | 0 | 111.1 | G7 A13 A14 | G7-K10 WeakPolarHBondContact O-CB 3.36Å; G7-K10 PolarHBondContact O-N 2.86Å; K10-A13 PolarHBondContact O-N 3.18Å; K10-A14 VanDerWaalsContact O-CB 3.29Å; K10-A14 WeakPolarHBondContact O-CB 3.43Å; K10-A14 PolarHBondContact O-N 3.2Å |
| 11 | F | 76.9 | Confident | 73.8 | Confident | 156 Ų | 156 | 112.7 Ų | 112.7 | 68% | 0.684 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.2 | -41.3 | 172.7 | -71.3 | -70.1 | 0 | 0 | 0 | 112 | G7 R8 A14 S15 | G7-F11 WeakPolarHBondContact O-CD2 3.47Å; G7-F11 PolarHBondContact O-N 3.18Å; R8-F11 PolarHBondContact O-N 3.48Å; F11-A14 PolarHBondContact O-N 3.5Å; F11-S15 VanDerWaalsContact O-CB 3.3Å; F11-S15 WeakPolarHBondContact O-CB 3.33Å; F11-S15 PolarHBondContact O-N 3.32Å; F11-S15 PolarHBondContact O-OG 3.4Å |
| 12 | L | 81 | Confident | 75.8 | Confident | 99 Ų | 99 | 104.7 Ų | 104.7 | 52% | 0.518 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.4 | -43.6 | 174.7 | -77.1 | 168 | 0 | 0 | 0 | 111.4 | R8 S15 L16 | R8-L12 HydrophobicContact CG-CD1 4.15Å; R8-L12 HydrophobicContact CG-CG 4.41Å; R8-L12 VanDerWaalsContact O-CB 3.23Å; R8-L12 WeakPolarHBondContact O-CB 3.48Å; R8-L12 WeakPolarHBondContact O-CD1 3.47Å; R8-L12 WeakPolarHBondContact O-CG 3.46Å; R8-L12 PolarHBondContact O-N 3.22Å; L12-S15 WeakPolarHBondContact CA-OG 3.3Å; L12-S15 PolarHBondContact O-OG 3.02Å; L12-L16 WeakPolarHBondContact O-CA 3.34Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 PolarHBondContact O-N 3.44Å |
| 13 | A | 83.4 | Confident | 77.5 | Confident | 52 Ų | 52 | 99.5 Ų | 99.5 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R9 K10 L16 S17 | R9-A13 VanDerWaalsContact O-CB 3.3Å; R9-A13 WeakPolarHBondContact O-CB 3.14Å; R9-A13 PolarHBondContact O-N 2.97Å; K10-A13 PolarHBondContact O-N 3.18Å; A13-L16 PolarHBondContact O-N 2.89Å; A13-S17 WeakPolarHBondContact O-CB 3.34Å; A13-S17 PolarHBondContact O-N 2.78Å; A13-S17 PolarHBondContact O-OG 2.96Å |
| 14 | A | 85.4 | Confident | 79.1 | Confident | 50 Ų | 50 | 101 Ų | 101 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K10 F11 L16 S17 L18 | K10-A14 VanDerWaalsContact O-CB 3.29Å; K10-A14 WeakPolarHBondContact O-CB 3.43Å; K10-A14 PolarHBondContact O-N 3.2Å; F11-A14 PolarHBondContact O-N 3.5Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-S17 PolarHBondContact O-N 3.47Å; A14-L18 WeakPolarHBondContact O-CB 3.34Å; A14-L18 WeakPolarHBondContact O-CD1 3.35Å; A14-L18 VanDerWaalsContact O-CG 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.22Å; A14-L18 PolarHBondContact O-N 2.75Å |
| 15 | S | 82.3 | Confident | 80.8 | Confident | 65 Ų | 65 | 98 Ų | 98 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 177.2 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | F11 L12 L18 L19 | F11-S15 VanDerWaalsContact O-CB 3.3Å; F11-S15 WeakPolarHBondContact O-CB 3.33Å; F11-S15 PolarHBondContact O-N 3.32Å; F11-S15 PolarHBondContact O-OG 3.4Å; L12-S15 WeakPolarHBondContact CA-OG 3.3Å; L12-S15 PolarHBondContact O-OG 3.02Å; S15-L18 PolarHBondContact O-N 3.26Å; S15-L19 WeakPolarHBondContact O-CB 3.23Å; S15-L19 PolarHBondContact O-N 3.1Å |
| 16 | L | 87.4 | Confident | 82.5 | Confident | 102 Ų | 102 | 104.4 Ų | 104.4 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 176.9 | -173.9 | 69.8 | 0 | 0 | 0 | 110.2 | L12 A13 A14 L18 L19 C20 | L12-L16 WeakPolarHBondContact O-CA 3.34Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 PolarHBondContact O-N 3.44Å; A13-L16 PolarHBondContact O-N 2.89Å; A14-L16 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 2.9Å; L16-L19 PolarHBondContact O-N 2.85Å; L16-C20 WeakPolarHBondContact CD1-SG 3.48Å; L16-C20 WeakPolarHBondContact O-CA 3.33Å; L16-C20 WeakPolarHBondContact O-CB 3.45Å; L16-C20 PolarHBondContact O-N 3.3Å; L16-C20 PolarHBondContact O-SG 3.48Å; L16-C20 VanDerWaalsContact O-SG 3.34Å |
| 17 | S | 88 | Confident | 83.9 | Confident | 61 Ų | 61 | 100.6 Ų | 100.6 | 43% | 0.427 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.8 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | A13 A14 L19 I21 | A13-S17 WeakPolarHBondContact O-CB 3.34Å; A13-S17 PolarHBondContact O-N 2.78Å; A13-S17 PolarHBondContact O-OG 2.96Å; A14-S17 PolarHBondContact O-N 3.47Å; S17-L19 PolarHBondContact O-N 3.15Å; S17-I21 VanDerWaalsContact O-CB 3.31Å; S17-I21 WeakPolarHBondContact O-CB 3.4Å; S17-I21 WeakPolarHBondContact O-CD1 3.33Å; S17-I21 WeakPolarHBondContact O-CG1 3.27Å; S17-I21 PolarHBondContact O-N 3.37Å |
| 18 | L | 87.4 | Confident | 85 | Confident | 136 Ų | 136 | 107.7 Ų | 107.7 | 71% | 0.712 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.1 | -30.8 | 176.4 | -79.7 | 163.3 | 0 | 0 | 0 | 113 | A14 S15 L16 P22 | A14-L18 WeakPolarHBondContact O-CB 3.34Å; A14-L18 WeakPolarHBondContact O-CD1 3.35Å; A14-L18 VanDerWaalsContact O-CG 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.22Å; A14-L18 PolarHBondContact O-N 2.75Å; S15-L18 PolarHBondContact O-N 3.26Å; L16-L18 PolarHBondContact O-N 2.9Å; L18-P22 WeakPolarHBondContact O-CD 3.45Å; L18-P22 VanDerWaalsContact O-CG 3.23Å; L18-P22 WeakPolarHBondContact O-CG 3.5Å |
| 19 | L | 89 | Confident | 85.7 | Confident | 125 Ų | 125 | 105.4 Ų | 105.4 | 65% | 0.654 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -89.6 | -43.5 | 178.4 | -171.8 | 70.1 | 0 | 0 | 0 | 112.6 | S15 L16 S17 P22 A23 | S15-L19 WeakPolarHBondContact O-CB 3.23Å; S15-L19 PolarHBondContact O-N 3.1Å; L16-L19 PolarHBondContact O-N 2.85Å; S17-L19 PolarHBondContact O-N 3.15Å; L19-P22 WeakPolarHBondContact O-CD 3.3Å; L19-A23 VanDerWaalsContact O-CB 3.25Å; L19-A23 WeakPolarHBondContact O-CB 3.37Å; L19-A23 PolarHBondContact O-N 2.67Å; L19-A23 VanDerWaalsContact O-N 3.1Å |
| 20 | C | 89.6 | Confident | 85.8 | Confident | 46 Ų | 46 | 105.3 Ų | 105.3 | 31% | 0.311 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73 | -36.8 | -175.3 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | L16 A23 I24 | L16-C20 WeakPolarHBondContact CD1-SG 3.48Å; L16-C20 WeakPolarHBondContact O-CA 3.33Å; L16-C20 WeakPolarHBondContact O-CB 3.45Å; L16-C20 PolarHBondContact O-N 3.3Å; L16-C20 PolarHBondContact O-SG 3.48Å; L16-C20 VanDerWaalsContact O-SG 3.34Å; C20-A23 PolarHBondContact O-N 3.45Å; C20-I24 HydrophobicContact CB-CD1 4.16Å; C20-I24 VanDerWaalsContact O-CB 3.25Å; C20-I24 WeakPolarHBondContact O-CB 3.18Å; C20-I24 WeakPolarHBondContact O-CD1 3.49Å; C20-I24 WeakPolarHBondContact O-CG1 3.47Å; C20-I24 PolarHBondContact O-N 3.41Å |
| 21 | I | 91.6 | Very high | 85.7 | Confident | 109 Ų | 109 | 100.6 Ų | 100.6 | 56% | 0.559 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.6 | -50.4 | -179.8 | -65.5 | 165.4 | 0 | 0 | 0 | 110.6 | S17 T25 | S17-I21 VanDerWaalsContact O-CB 3.31Å; S17-I21 WeakPolarHBondContact O-CB 3.4Å; S17-I21 WeakPolarHBondContact O-CD1 3.33Å; S17-I21 WeakPolarHBondContact O-CG1 3.27Å; S17-I21 PolarHBondContact O-N 3.37Å; I21-T25 VanDerWaalsContact O-CB 3.29Å; I21-T25 WeakPolarHBondContact O-CB 3.33Å; I21-T25 PolarHBondContact O-N 3.05Å; I21-T25 PolarHBondContact O-OG1 3.32Å |
| 22 | P | 88.9 | Confident | 85.1 | Confident | 64 Ų | 64 | 94.4 Ų | 94.4 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 172.3 | -23.5 | 34.5 | 0 | 0 | 0 | 112.3 | L18 L19 I24 T25 W26 | L18-P22 WeakPolarHBondContact O-CD 3.45Å; L18-P22 VanDerWaalsContact O-CG 3.23Å; L18-P22 WeakPolarHBondContact O-CG 3.5Å; L19-P22 WeakPolarHBondContact O-CD 3.3Å; P22-I24 PolarHBondContact O-N 3.27Å; P22-T25 PolarHBondContact O-N 2.84Å; P22-W26 WeakPolarHBondContact O-CB 3.24Å; P22-W26 PolarHBondContact O-N 2.87Å |
| 23 | A | 90.6 | Very high | 84.2 | Confident | 43 Ų | 43 | 92.7 Ų | 92.7 | 36% | 0.355 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L19 C20 W26 I27 | L19-A23 VanDerWaalsContact O-CB 3.25Å; L19-A23 WeakPolarHBondContact O-CB 3.37Å; L19-A23 PolarHBondContact O-N 2.67Å; L19-A23 VanDerWaalsContact O-N 3.1Å; C20-A23 PolarHBondContact O-N 3.45Å; A23-W26 PolarHBondContact O-N 3.21Å; A23-I27 WeakPolarHBondContact O-CD1 3.42Å; A23-I27 WeakPolarHBondContact O-CG1 3.43Å; A23-I27 PolarHBondContact O-N 2.99Å |
| 24 | I | 88.3 | Confident | 83.1 | Confident | 106 Ų | 106 | 96.2 Ų | 96.2 | 54% | 0.544 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | 177.1 | -65.5 | 164.6 | 0 | 0 | 0 | 110.2 | C20 P22 W26 I27 Y28 | C20-I24 HydrophobicContact CB-CD1 4.16Å; C20-I24 VanDerWaalsContact O-CB 3.25Å; C20-I24 WeakPolarHBondContact O-CB 3.18Å; C20-I24 WeakPolarHBondContact O-CD1 3.49Å; C20-I24 WeakPolarHBondContact O-CG1 3.47Å; C20-I24 PolarHBondContact O-N 3.41Å; P22-I24 PolarHBondContact O-N 3.27Å; I24-W26 VanDerWaalsContact C-N 3.32Å; I24-W26 PolarHBondContact O-N 2.8Å; I24-I27 PolarHBondContact O-N 3.43Å; I24-Y28 VanDerWaalsContact O-CB 3.26Å; I24-Y28 WeakPolarHBondContact O-CB 3.07Å; I24-Y28 PolarHBondContact O-N 2.88Å |
| 25 | T | 90.8 | Very high | 81.9 | Confident | 77 Ų | 77 | 102.3 Ų | 102.3 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 175.1 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | I21 P22 Y28 L29 | I21-T25 VanDerWaalsContact O-CB 3.29Å; I21-T25 WeakPolarHBondContact O-CB 3.33Å; I21-T25 PolarHBondContact O-N 3.05Å; I21-T25 PolarHBondContact O-OG1 3.32Å; P22-T25 PolarHBondContact O-N 2.84Å; T25-Y28 PolarHBondContact O-N 3.5Å; T25-L29 WeakPolarHBondContact O-CB 3.37Å; T25-L29 PolarHBondContact O-N 3.06Å |
| 26 | W | 91.6 | Very high | 80.5 | Confident | 194 Ų | 194 | 105 Ų | 105 | 74% | 0.735 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -45.8 | 176 | -90.3 | 92.3 | 0 | 0 | 0 | 111.9 | P22 A23 I24 Y28 L29 F30 | P22-W26 WeakPolarHBondContact O-CB 3.24Å; P22-W26 PolarHBondContact O-N 2.87Å; A23-W26 PolarHBondContact O-N 3.21Å; I24-W26 VanDerWaalsContact C-N 3.32Å; I24-W26 PolarHBondContact O-N 2.8Å; W26-Y28 VanDerWaalsContact C-N 3.35Å; W26-L29 PolarHBondContact O-N 2.82Å; W26-F30 WeakPolarHBondContact O-CB 3.41Å; W26-F30 PolarHBondContact O-N 3.31Å |
| 27 | I | 88.8 | Confident | 78.9 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 56% | 0.564 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.3 | -44.1 | 176.6 | -68.2 | 163.3 | 0 | 0 | 0 | 110.4 | A23 I24 F30 S31 | A23-I27 WeakPolarHBondContact O-CD1 3.42Å; A23-I27 WeakPolarHBondContact O-CG1 3.43Å; A23-I27 PolarHBondContact O-N 2.99Å; I24-I27 PolarHBondContact O-N 3.43Å; I27-F30 PolarHBondContact O-N 3.46Å; I27-S31 VanDerWaalsContact O-CB 3.3Å; I27-S31 WeakPolarHBondContact O-CB 3.24Å; I27-S31 PolarHBondContact O-N 2.9Å; I27-S31 PolarHBondContact O-OG 2.91Å; I27-S31 VanDerWaalsContact O-OG 3.05Å |
| 28 | Y | 86.1 | Confident | 77 | Confident | 182 Ų | 182 | 108.9 Ų | 108.9 | 71% | 0.714 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.6 | -43.8 | 179.4 | -175.3 | -97.2 | 0 | 0 | 0 | 112 | I24 T25 W26 F30 G32 | I24-Y28 VanDerWaalsContact O-CB 3.26Å; I24-Y28 WeakPolarHBondContact O-CB 3.07Å; I24-Y28 PolarHBondContact O-N 2.88Å; T25-Y28 PolarHBondContact O-N 3.5Å; W26-Y28 VanDerWaalsContact C-N 3.35Å; Y28-F30 VanDerWaalsContact C-N 3.33Å; Y28-G32 PolarHBondContact O-N 3.45Å |
| 29 | L | 80.9 | Confident | 75.1 | Confident | 122 Ų | 122 | 107.5 Ų | 107.5 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.2 | -38.9 | 175.4 | -140.6 | 82.2 | 0 | 0 | 0 | 111.3 | T25 W26 S33 | T25-L29 WeakPolarHBondContact O-CB 3.37Å; T25-L29 PolarHBondContact O-N 3.06Å; W26-L29 PolarHBondContact O-N 2.82Å; L29-S33 WeakPolarHBondContact O-CB 3.3Å; L29-S33 PolarHBondContact O-N 3.39Å |
| 30 | F | 76.4 | Confident | 73.1 | Confident | 150 Ų | 150 | 107.1 Ų | 107.1 | 66% | 0.658 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.7 | -42.4 | 178.6 | -172 | -96.8 | 0 | 0 | 0 | 112.1 | W26 I27 Y28 S33 F34 | W26-F30 WeakPolarHBondContact O-CB 3.41Å; W26-F30 PolarHBondContact O-N 3.31Å; I27-F30 PolarHBondContact O-N 3.46Å; Y28-F30 VanDerWaalsContact C-N 3.33Å; F30-S33 PolarHBondContact O-N 2.81Å; F30-F34 PolarHBondContact O-N 3.47Å |
| 31 | S | 76.3 | Confident | 71 | Confident | 63 Ų | 63 | 109.7 Ų | 109.7 | 44% | 0.441 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.5 | -42.3 | 174.6 | -66.4 | 0 | 0 | 0 | 0 | 111.8 | I27 F34 E35 | I27-S31 VanDerWaalsContact O-CB 3.3Å; I27-S31 WeakPolarHBondContact O-CB 3.24Å; I27-S31 PolarHBondContact O-N 2.9Å; I27-S31 PolarHBondContact O-OG 2.91Å; I27-S31 VanDerWaalsContact O-OG 3.05Å; S31-F34 PolarHBondContact O-N 3.41Å; S31-F34 VanDerWaalsContact O-N 3.15Å; S31-E35 PolarHBondContact O-N 3.37Å; S31-E35 VanDerWaalsContact O-N 3.12Å |
| 32 | G | 63.5 | Low | 69 | Low | 26 Ų | 26 | 111.9 Ų | 111.9 | 27% | 0.268 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y28 F34 E35 D36 | Y28-G32 PolarHBondContact O-N 3.45Å; G32-F34 PolarHBondContact O-N 3.18Å; G32-E35 PolarHBondContact O-N 3.47Å; G32-D36 WeakPolarHBondContact O-CB 3.26Å; G32-D36 PolarHBondContact O-N 3.29Å |
| 33 | S | 61.9 | Low | 66.5 | Low | 63 Ų | 63 | 113.6 Ų | 113.6 | 44% | 0.441 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.3 | -14.2 | 174.4 | -175.2 | 0 | 0 | 0 | 0 | 114.1 | L29 F30 | L29-S33 WeakPolarHBondContact O-CB 3.3Å; L29-S33 PolarHBondContact O-N 3.39Å; F30-S33 PolarHBondContact O-N 2.81Å |
| 34 | F | 59.7 | Low | 64.5 | Low | 127 Ų | 127 | 117 Ų | 117 | 56% | 0.557 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -95.1 | -33.7 | 176.5 | -149.4 | -85.9 | 0 | 0 | 0 | 111.9 | F30 S31 G32 Y54 | F30-F34 PolarHBondContact O-N 3.47Å; S31-F34 PolarHBondContact O-N 3.41Å; S31-F34 VanDerWaalsContact O-N 3.15Å; G32-F34 PolarHBondContact O-N 3.18Å; F34-Y54 AromaticContact CE2-CE2 3.75Å; F34-Y54 HydrophobicContact CE2-CE2 3.75Å; F34-Y54 AromaticContact CE2-CZ 3.76Å; F34-Y54 VanDerWaalsContact CE2-OH 3.24Å; F34-Y54 WeakPolarHBondContact CE2-OH 3.38Å; F34-Y54 AromaticContact CZ-CE2 3.73Å; F34-Y54 HydrophobicContact CZ-CE2 3.73Å |
| 35 | E | 61.1 | Low | 62 | Low | 178 Ų | 178 | 119.6 Ų | 119.6 | 83% | 0.832 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -75.9 | -39.7 | 174.5 | -72.5 | -100.7 | 97.7 | 0 | 0 | 111.6 | S31 G32 G37 | S31-E35 PolarHBondContact O-N 3.37Å; S31-E35 VanDerWaalsContact O-N 3.12Å; G32-E35 PolarHBondContact O-N 3.47Å; E35-G37 PolarHBondContact O-N 3.19Å |
| 36 | D | 53.2 | Low | 59.8 | Low | 120 Ų | 120 | 124.7 Ų | 124.7 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -80.7 | 94.1 | 167.5 | -74.9 | -57.2 | 0 | 0 | 0 | 108.3 | G32 K38 | G32-D36 WeakPolarHBondContact O-CB 3.26Å; G32-D36 PolarHBondContact O-N 3.29Å; D36-K38 PolarHBondContact O-N 2.97Å |
| 37 | G | 53.2 | Low | 57.5 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 76% | 0.763 | 67% | 0.665 | S | S | * | * | trans | -61.9 | 38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | E35 | E35-G37 PolarHBondContact O-N 3.19Š| ||
| 38 | K | 47.6 | Very low | 55 | Low | 172 Ų | 172 | 123.3 Ų | 123.3 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | trans | -119.3 | 110.2 | 162.9 | -102.5 | 89.5 | 173.7 | -154.2 | 0 | 108.2 | D36 V40 | D36-K38 PolarHBondContact O-N 2.97Å; K38-V40 PolarHBondContact O-N 3.26Å | ||
| 39 | P | 48.2 | Very low | 53 | Low | 107 Ų | 107 | 118.2 Ų | 118.2 | 70% | 0.695 | 68% | 0.675 | S | S | * | * | trans | -60.6 | 117.9 | 162.1 | 26.4 | -30.8 | 0 | 0 | 0 | 107 | S41 | P39-S41 PolarHBondContact O-N 2.73Š| ||
| 40 | V | 47.3 | Very low | 51.2 | Low | 116 Ų | 116 | 121.3 Ų | 121.3 | 70% | 0.703 | 69% | 0.686 | S | S | * | * | trans | -58 | 96.5 | 160.4 | 158.4 | 0 | 0 | 0 | 0 | 105.6 | K38 L42 | K38-V40 PolarHBondContact O-N 3.26Å; V40-L42 HydrophobicContact CG1-CD1 4.16Å; V40-L42 HydrophobicContact CG1-CG 3.82Å; V40-L42 PolarHBondContact O-N 3.26Å | ||
| 41 | S | 46.1 | Very low | 49.4 | Very low | 100 Ų | 100 | 117.4 Ų | 117.4 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | trans | -66.3 | 80.4 | 173.1 | -99.9 | 0 | 0 | 0 | 0 | 108.6 | P39 | P39-S41 PolarHBondContact O-N 2.73Š| ||
| 42 | L | 48.2 | Very low | 48.1 | Very low | 155 Ų | 155 | 120 Ų | 120 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | trans | -99.7 | 80.4 | 151.5 | -62.6 | -180 | 0 | 0 | 0 | 106.6 | V40 | V40-L42 HydrophobicContact CG1-CD1 4.16Å; V40-L42 HydrophobicContact CG1-CG 3.82Å; V40-L42 PolarHBondContact O-N 3.26Å | ||
| 43 | S | 37.5 | Very low | 47.4 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | -70.3 | 164.5 | 168 | -68.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 44 | P | 47.9 | Very low | 46.5 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | cis | -128.3 | 119 | -19.4 | 29.9 | -10.2 | 0 | 0 | 0 | 110.5 | ||||
| 45 | L | 35.4 | Very low | 46.1 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | trans | -107.7 | 93.2 | 156.7 | -133.4 | 91.2 | 0 | 0 | 0 | 108.3 | ||||
| 46 | E | 44.1 | Very low | 45.7 | Very low | 185 Ų | 185 | 125.2 Ų | 125.2 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | trans | -26 | 132.1 | 135.3 | -160.8 | 152.1 | 113.3 | 0 | 0 | 111.3 | ||||
| 47 | S | 43.1 | Very low | 46 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | trans | 108.3 | 134.8 | 173.2 | 79.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 48 | Q | 37.3 | Very low | 46.3 | Very low | 181 Ų | 181 | 120.7 Ų | 120.7 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | trans | 90.5 | 72.9 | 168.7 | -144.8 | 165.5 | 92.5 | 0 | 0 | 114.5 | ||||
| 49 | A | 43 | Very low | 46.9 | Very low | 76 Ų | 76 | 117.8 Ų | 117.8 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | 47.6 | 123.5 | 77.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 50 | H | 44.9 | Very low | 47.6 | Very low | 187 Ų | 187 | 122.1 Ų | 122.1 | 87% | 0.866 | 66% | 0.663 | S | S | * | * | trans | 104.6 | 63.2 | 169.1 | -54.8 | 84.1 | 0 | 0 | 0 | 117.8 | ||||
| 51 | S | 37.4 | Very low | 48.3 | Very low | 67 Ų | 67 | 122.5 Ų | 122.5 | 47% | 0.469 | 66% | 0.657 | S | S | . | * | trans | -164.7 | 109.4 | 135.5 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | R53 Y54 | S51-R53 PolarHBondContact O-N 3Å; S51-R53 VanDerWaalsContact O-N 3.14Å; S51-Y54 PolarHBondContact O-N 3.39Å | ||
| 52 | P | 48.8 | Very low | 49.2 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 76% | 0.76 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -11.6 | -171.2 | 23.3 | -30.9 | 0 | 0 | 0 | 115.2 | T55 | P52-T55 PolarHBondContact O-OG1 3.44Š|
| 53 | R | 49.6 | Very low | 50 | Low | 227 Ų | 227 | 123 Ų | 123 | 86% | 0.857 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -23.8 | 177.2 | -72.5 | -158.4 | -173.9 | 131 | -0.1 | 114.4 | S51 | S51-R53 PolarHBondContact O-N 3Å; S51-R53 VanDerWaalsContact O-N 3.14Å |
| 54 | Y | 42.3 | Very low | 51.3 | Low | 137 Ų | 137 | 120.7 Ų | 120.7 | 54% | 0.537 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -87 | -21.2 | -179.4 | -154 | -101.7 | 0 | 0 | 0 | 112.3 | F34 S51 S57 S58 | F34-Y54 AromaticContact CE2-CE2 3.75Å; F34-Y54 HydrophobicContact CE2-CE2 3.75Å; F34-Y54 AromaticContact CE2-CZ 3.76Å; F34-Y54 VanDerWaalsContact CE2-OH 3.24Å; F34-Y54 WeakPolarHBondContact CE2-OH 3.38Å; F34-Y54 AromaticContact CZ-CE2 3.73Å; F34-Y54 HydrophobicContact CZ-CE2 3.73Å; S51-Y54 PolarHBondContact O-N 3.39Å; Y54-S57 PolarHBondContact O-OG 3Å; Y54-S58 WeakPolarHBondContact O-CB 3.2Å; Y54-S58 PolarHBondContact O-N 2.97Å; Y54-S58 PolarHBondContact O-OG 3.21Å |
| 55 | T | 52.2 | Low | 52.2 | Low | 77 Ų | 77 | 119.9 Ų | 119.9 | 47% | 0.472 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -74.1 | -31.6 | 177.5 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | P52 S58 Q59 | P52-T55 PolarHBondContact O-OG1 3.44Å; T55-S58 WeakPolarHBondContact CA-OG 3.11Å; T55-S58 PolarHBondContact O-OG 3.46Å; T55-Q59 WeakPolarHBondContact O-CB 3.34Å; T55-Q59 PolarHBondContact O-N 2.67Å |
| 56 | A | 52.2 | Low | 53.7 | Low | 63 Ų | 63 | 117 Ų | 117 | 52% | 0.521 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.9 | -38.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R60 | A56-R60 PolarHBondContact O-N 3.05Å |
| 57 | S | 59.4 | Low | 54.8 | Low | 57 Ų | 57 | 112.8 Ų | 112.8 | 40% | 0.399 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.9 | -46.1 | 175.1 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | Y54 Q59 R60 E61 | Y54-S57 PolarHBondContact O-OG 3Å; S57-Q59 VanDerWaalsContact C-N 3.35Å; S57-Q59 PolarHBondContact O-N 2.85Å; S57-R60 PolarHBondContact O-N 2.99Å; S57-E61 WeakPolarHBondContact O-CG 3.41Å; S57-E61 PolarHBondContact O-N 2.66Å |
| 58 | S | 59.8 | Low | 56.2 | Low | 42 Ų | 42 | 115.3 Ų | 115.3 | 29% | 0.294 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.1 | -35 | 178.4 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | Y54 T55 E61 R62 | Y54-S58 WeakPolarHBondContact O-CB 3.2Å; Y54-S58 PolarHBondContact O-N 2.97Å; Y54-S58 PolarHBondContact O-OG 3.21Å; T55-S58 WeakPolarHBondContact CA-OG 3.11Å; T55-S58 PolarHBondContact O-OG 3.46Å; S58-E61 PolarHBondContact O-N 3.12Å; S58-R62 WeakPolarHBondContact O-CB 3.14Å; S58-R62 WeakPolarHBondContact O-CG 3.25Å; S58-R62 PolarHBondContact O-N 3.38Å |
| 59 | Q | 60.9 | Low | 57.7 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.5 | -43.3 | 174.6 | -177.4 | 170.7 | -8.2 | 0 | 0 | 112.1 | T55 S57 E61 R62 E63 | T55-Q59 WeakPolarHBondContact O-CB 3.34Å; T55-Q59 PolarHBondContact O-N 2.67Å; S57-Q59 VanDerWaalsContact C-N 3.35Å; S57-Q59 PolarHBondContact O-N 2.85Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-E61 PolarHBondContact O-N 2.83Å; Q59-R62 WeakPolarHBondContact O-CB 3.25Å; Q59-R62 PolarHBondContact O-N 3.27Å; Q59-E63 PolarHBondContact NE2-OE1 2.96Å; Q59-E63 WeakPolarHBondContact O-CG 3.29Å; Q59-E63 PolarHBondContact O-N 2.91Å |
| 60 | R | 63 | Low | 59 | Low | 198 Ų | 198 | 117.1 Ų | 117.1 | 75% | 0.747 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.9 | -36.9 | 177.1 | -171.2 | 177.8 | -177.5 | 173.9 | 0.9 | 112.5 | A56 S57 S64 | A56-R60 PolarHBondContact O-N 3.05Å; S57-R60 PolarHBondContact O-N 2.99Å; R60-S64 WeakPolarHBondContact O-CB 3.43Å; R60-S64 PolarHBondContact O-N 3.25Å |
| 61 | E | 62 | Low | 60.2 | Low | 125 Ų | 125 | 114.3 Ų | 114.3 | 58% | 0.584 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.2 | -41.4 | 174.3 | -75 | -178.5 | 173.6 | 0 | 0 | 111.8 | S57 S58 Q59 S64 L65 | S57-E61 WeakPolarHBondContact O-CG 3.41Å; S57-E61 PolarHBondContact O-N 2.66Å; S58-E61 PolarHBondContact O-N 3.12Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-E61 PolarHBondContact O-N 2.83Å; E61-S64 PolarHBondContact O-N 3.25Å; E61-S64 PolarHBondContact O-OG 2.92Å; E61-L65 WeakPolarHBondContact O-CB 3.21Å; E61-L65 WeakPolarHBondContact O-CG 3.45Å; E61-L65 PolarHBondContact O-N 3.35Å |
| 62 | R | 65.2 | Low | 62 | Low | 167 Ų | 167 | 115.7 Ų | 115.7 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.4 | -46.8 | 173.8 | -71.9 | 176.9 | 85.6 | 95.2 | 6.6 | 111.8 | S58 Q59 S64 L65 E66 | S58-R62 WeakPolarHBondContact O-CB 3.14Å; S58-R62 WeakPolarHBondContact O-CG 3.25Å; S58-R62 PolarHBondContact O-N 3.38Å; Q59-R62 WeakPolarHBondContact O-CB 3.25Å; Q59-R62 PolarHBondContact O-N 3.27Å; R62-S64 VanDerWaalsContact C-N 3.32Å; R62-S64 PolarHBondContact O-N 3.45Å; R62-L65 PolarHBondContact O-N 3.32Å; R62-E66 WeakPolarHBondContact O-CB 3.38Å; R62-E66 VanDerWaalsContact O-CG 3.24Å; R62-E66 WeakPolarHBondContact O-CG 3.31Å; R62-E66 PolarHBondContact O-N 3.19Å |
| 63 | E | 63.6 | Low | 63.4 | Low | 98 Ų | 98 | 114 Ų | 114 | 46% | 0.458 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 175.9 | -71.3 | 170.7 | -170.1 | 0 | 0 | 111.5 | Q59 L65 E66 V67 | Q59-E63 PolarHBondContact NE2-OE1 2.96Å; Q59-E63 WeakPolarHBondContact O-CG 3.29Å; Q59-E63 PolarHBondContact O-N 2.91Å; E63-L65 PolarHBondContact O-N 3.25Å; E63-E66 PolarHBondContact O-N 3.35Å; E63-V67 VanDerWaalsContact O-CG2 3.3Å; E63-V67 WeakPolarHBondContact O-CG2 3.23Å; E63-V67 PolarHBondContact O-N 2.9Å |
| 64 | S | 66.3 | Low | 64.5 | Low | 52 Ų | 52 | 109 Ų | 109 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -32.8 | 176.5 | 81 | 0 | 0 | 0 | 0 | 113.7 | R60 E61 R62 R68 | R60-S64 WeakPolarHBondContact O-CB 3.43Å; R60-S64 PolarHBondContact O-N 3.25Å; E61-S64 PolarHBondContact O-N 3.25Å; E61-S64 PolarHBondContact O-OG 2.92Å; R62-S64 VanDerWaalsContact C-N 3.32Å; R62-S64 PolarHBondContact O-N 3.45Å; S64-R68 WeakPolarHBondContact O-CG 3.12Å; S64-R68 PolarHBondContact O-N 2.88Å; S64-R68 PolarHBondContact O-NE 3.04Å |
| 65 | L | 65.7 | Low | 66.1 | Low | 98 Ų | 98 | 108.1 Ų | 108.1 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -75 | -38.1 | 175.7 | -79.5 | 160.2 | 0 | 0 | 0 | 110.8 | E61 R62 E63 R68 M69 | E61-L65 WeakPolarHBondContact O-CB 3.21Å; E61-L65 WeakPolarHBondContact O-CG 3.45Å; E61-L65 PolarHBondContact O-N 3.35Å; R62-L65 PolarHBondContact O-N 3.32Å; E63-L65 PolarHBondContact O-N 3.25Å; L65-R68 PolarHBondContact O-N 3.5Å; L65-M69 VanDerWaalsContact O-CB 3.27Å; L65-M69 WeakPolarHBondContact O-CB 3.46Å; L65-M69 PolarHBondContact O-N 2.8Å |
| 66 | E | 67.7 | Low | 67.2 | Low | 98 Ų | 98 | 108 Ų | 108 | 46% | 0.458 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 174.6 | -74.5 | 171.3 | -160.7 | 0 | 0 | 111.9 | R62 E63 M69 R70 | R62-E66 WeakPolarHBondContact O-CB 3.38Å; R62-E66 VanDerWaalsContact O-CG 3.24Å; R62-E66 WeakPolarHBondContact O-CG 3.31Å; R62-E66 PolarHBondContact O-N 3.19Å; E63-E66 PolarHBondContact O-N 3.35Å; E66-M69 PolarHBondContact O-N 3.05Å; E66-R70 WeakPolarHBondContact O-CG 3.17Å; E66-R70 PolarHBondContact O-N 2.99Å |
| 67 | V | 67.6 | Low | 68.5 | Low | 98 Ų | 98 | 109.9 Ų | 109.9 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -46.7 | 174.6 | 171 | 0 | 0 | 0 | 0 | 111 | E63 M69 R70 E71 | E63-V67 VanDerWaalsContact O-CG2 3.3Å; E63-V67 WeakPolarHBondContact O-CG2 3.23Å; E63-V67 PolarHBondContact O-N 2.9Å; V67-M69 VanDerWaalsContact C-N 3.33Å; V67-M69 PolarHBondContact O-N 3.15Å; V67-R70 PolarHBondContact O-N 2.77Å; V67-E71 PolarHBondContact O-N 3.32Å |
| 68 | R | 71.9 | Confident | 69.4 | Low | 145 Ų | 145 | 108.8 Ų | 108.8 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 177 | -72.1 | -174.6 | -69.5 | -179.8 | -1.5 | 112.6 | S64 L65 R70 E71 V72 | S64-R68 WeakPolarHBondContact O-CG 3.12Å; S64-R68 PolarHBondContact O-N 2.88Å; S64-R68 PolarHBondContact O-NE 3.04Å; L65-R68 PolarHBondContact O-N 3.5Å; R68-R70 VanDerWaalsContact C-N 3.33Å; R68-E71 PolarHBondContact O-N 3.18Å; R68-V72 WeakPolarHBondContact O-CG2 3.48Å; R68-V72 PolarHBondContact O-N 3.3Å |
| 69 | M | 68.1 | Low | 70.5 | Confident | 129 Ų | 129 | 111.3 Ų | 111.3 | 64% | 0.635 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 175.1 | -178.8 | -179.7 | 172.8 | 0 | 0 | 111.2 | L65 E66 V67 V72 E73 | L65-M69 VanDerWaalsContact O-CB 3.27Å; L65-M69 WeakPolarHBondContact O-CB 3.46Å; L65-M69 PolarHBondContact O-N 2.8Å; E66-M69 PolarHBondContact O-N 3.05Å; V67-M69 VanDerWaalsContact C-N 3.33Å; V67-M69 PolarHBondContact O-N 3.15Å; M69-V72 PolarHBondContact O-N 3.35Å; M69-E73 VanDerWaalsContact O-CB 3.22Å; M69-E73 WeakPolarHBondContact O-CB 3.04Å; M69-E73 PolarHBondContact O-N 3.35Å |
| 70 | R | 71.4 | Confident | 71.3 | Confident | 167 Ų | 167 | 114.4 Ų | 114.4 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -43.3 | 176.5 | -75.7 | 175 | -176.1 | -110.6 | 2.7 | 112.2 | E66 V67 R68 E73 E74 | E66-R70 WeakPolarHBondContact O-CG 3.17Å; E66-R70 PolarHBondContact O-N 2.99Å; V67-R70 PolarHBondContact O-N 2.77Å; R68-R70 VanDerWaalsContact C-N 3.33Å; R70-E73 PolarHBondContact O-N 2.86Å; R70-E74 WeakPolarHBondContact O-CB 3.46Å; R70-E74 WeakPolarHBondContact O-CG 3.49Å; R70-E74 PolarHBondContact O-N 2.84Å |
| 71 | E | 70.1 | Confident | 72.1 | Confident | 127 Ų | 127 | 112.2 Ų | 112.2 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.1 | -48.5 | 176.2 | -175.7 | 177.1 | -171.7 | 0 | 0 | 111.3 | V67 R68 E73 E74 E75 | V67-E71 PolarHBondContact O-N 3.32Å; R68-E71 PolarHBondContact O-N 3.18Å; E71-E73 VanDerWaalsContact C-N 3.32Å; E71-E73 PolarHBondContact O-N 3.33Å; E71-E74 PolarHBondContact O-N 2.75Å; E71-E75 PolarHBondContact O-N 3.14Å |
| 72 | V | 74.9 | Confident | 73 | Confident | 97 Ų | 97 | 112.2 Ų | 112.2 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -35.3 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | R68 M69 N76 | R68-V72 WeakPolarHBondContact O-CG2 3.48Å; R68-V72 PolarHBondContact O-N 3.3Å; M69-V72 PolarHBondContact O-N 3.35Å; V72-N76 WeakPolarHBondContact O-CB 3.37Å; V72-N76 PolarHBondContact O-N 3.3Å |
| 73 | E | 77.4 | Confident | 73.5 | Confident | 80 Ų | 80 | 109.7 Ų | 109.7 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 175.9 | -167.3 | -174 | 175.7 | 0 | 0 | 111.6 | M69 R70 E71 N76 R77 | M69-E73 VanDerWaalsContact O-CB 3.22Å; M69-E73 WeakPolarHBondContact O-CB 3.04Å; M69-E73 PolarHBondContact O-N 3.35Å; R70-E73 PolarHBondContact O-N 2.86Å; E71-E73 VanDerWaalsContact C-N 3.32Å; E71-E73 PolarHBondContact O-N 3.33Å; E73-N76 PolarHBondContact O-N 2.84Å; E73-R77 WeakPolarHBondContact O-CB 3.02Å; E73-R77 WeakPolarHBondContact O-CG 3.49Å; E73-R77 PolarHBondContact O-N 3.29Å; E73-R77 IonicContact OE1-CZ 2.66Å; E73-R77 IonicContact OE1-NE 3.6Å; E73-R77 IonicContact OE1-NH2 3.27Å; E73-R77 PolarHBondContact OE1-NH2 3.45Å; E73-R77 IonicContact OE2-NH2 3.38Å; E73-R77 PolarHBondContact OE2-NH2 3.39Å |
| 74 | E | 73.9 | Confident | 73.8 | Confident | 122 Ų | 122 | 108.2 Ų | 108.2 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.8 | -43.7 | 174.9 | -76.1 | 178.5 | -169.8 | 0 | 0 | 111.7 | R70 E71 N76 R77 A78 | R70-E74 WeakPolarHBondContact O-CB 3.46Å; R70-E74 WeakPolarHBondContact O-CG 3.49Å; R70-E74 PolarHBondContact O-N 2.84Å; E71-E74 PolarHBondContact O-N 2.75Å; E74-N76 VanDerWaalsContact C-N 3.35Å; E74-N76 PolarHBondContact O-N 2.79Å; E74-R77 PolarHBondContact O-N 3.08Å; E74-A78 PolarHBondContact O-N 3.26Å |
| 75 | E | 75.8 | Confident | 74 | Confident | 120 Ų | 120 | 112 Ų | 112 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 170.9 | -71.6 | -60.7 | 145.6 | 0 | 0 | 111.3 | E71 R77 A78 L79 | E71-E75 PolarHBondContact O-N 3.14Å; E75-R77 VanDerWaalsContact C-N 3.34Å; E75-R77 PolarHBondContact O-N 3.04Å; E75-A78 PolarHBondContact O-N 2.81Å; E75-L79 WeakPolarHBondContact O-CB 3.39Å; E75-L79 VanDerWaalsContact O-CG 3.3Å; E75-L79 WeakPolarHBondContact O-CG 3.23Å; E75-L79 PolarHBondContact O-N 2.94Å |
| 76 | N | 73.4 | Confident | 74 | Confident | 75 Ų | 75 | 110.4 Ų | 110.4 | 40% | 0.401 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.3 | -154.7 | -78.3 | 0 | 0 | 0 | 111.9 | V72 E73 E74 R80 | V72-N76 WeakPolarHBondContact O-CB 3.37Å; V72-N76 PolarHBondContact O-N 3.3Å; E73-N76 PolarHBondContact O-N 2.84Å; E74-N76 VanDerWaalsContact C-N 3.35Å; E74-N76 PolarHBondContact O-N 2.79Å; N76-R80 WeakPolarHBondContact O-CB 3.31Å; N76-R80 VanDerWaalsContact O-CG 3.23Å; N76-R80 WeakPolarHBondContact O-CG 3.3Å; N76-R80 PolarHBondContact O-N 2.92Å; N76-R80 PolarHBondContact OD1-NE 2.79Å |
| 77 | R | 79.8 | Confident | 73.8 | Confident | 102 Ų | 102 | 112.2 Ų | 112.2 | 39% | 0.385 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 173.8 | -76.5 | -173.2 | -155.6 | 123.3 | -3.3 | 111.4 | E73 E74 E75 R80 R81 | E73-R77 WeakPolarHBondContact O-CB 3.02Å; E73-R77 WeakPolarHBondContact O-CG 3.49Å; E73-R77 PolarHBondContact O-N 3.29Å; E73-R77 IonicContact OE1-CZ 2.66Å; E73-R77 IonicContact OE1-NE 3.6Å; E73-R77 IonicContact OE1-NH2 3.27Å; E73-R77 PolarHBondContact OE1-NH2 3.45Å; E73-R77 IonicContact OE2-NH2 3.38Å; E73-R77 PolarHBondContact OE2-NH2 3.39Å; E74-R77 PolarHBondContact O-N 3.08Å; E75-R77 VanDerWaalsContact C-N 3.34Å; E75-R77 PolarHBondContact O-N 3.04Å; R77-R80 PolarHBondContact O-N 3.22Å; R77-R81 WeakPolarHBondContact O-CG 3.29Å; R77-R81 PolarHBondContact O-N 3.4Å |
| 78 | A | 80.1 | Confident | 73.3 | Confident | 34 Ų | 34 | 111 Ų | 111 | 28% | 0.281 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.9 | -47 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E74 E75 R80 R81 Q82 | E74-A78 PolarHBondContact O-N 3.26Å; E75-A78 PolarHBondContact O-N 2.81Å; A78-R80 PolarHBondContact O-N 3.02Å; A78-R81 WeakPolarHBondContact O-CB 3.46Å; A78-R81 PolarHBondContact O-N 2.68Å; A78-Q82 WeakPolarHBondContact O-CG 3.48Å; A78-Q82 PolarHBondContact O-N 3.33Å |
| 79 | L | 81.1 | Confident | 72.5 | Confident | 94 Ų | 94 | 115 Ų | 115 | 49% | 0.492 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61 | -44 | 174.9 | -70.9 | 171.4 | 0 | 0 | 0 | 111.7 | E75 R81 Q82 L83 | E75-L79 WeakPolarHBondContact O-CB 3.39Å; E75-L79 VanDerWaalsContact O-CG 3.3Å; E75-L79 WeakPolarHBondContact O-CG 3.23Å; E75-L79 PolarHBondContact O-N 2.94Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3.36Å; L79-Q82 PolarHBondContact O-N 3.4Å; L79-Q82 VanDerWaalsContact O-N 3.15Å; L79-L83 WeakPolarHBondContact O-CB 3.46Å; L79-L83 PolarHBondContact O-N 2.97Å |
| 80 | R | 78.1 | Confident | 71.9 | Confident | 177 Ų | 177 | 111.3 Ų | 111.3 | 67% | 0.668 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.2 | -38.2 | 174.9 | -78.6 | 176.2 | -175.3 | -132.4 | 0.5 | 112.5 | N76 R77 A78 L83 S84 | N76-R80 WeakPolarHBondContact O-CB 3.31Å; N76-R80 VanDerWaalsContact O-CG 3.23Å; N76-R80 WeakPolarHBondContact O-CG 3.3Å; N76-R80 PolarHBondContact O-N 2.92Å; N76-R80 PolarHBondContact OD1-NE 2.79Å; R77-R80 PolarHBondContact O-N 3.22Å; A78-R80 PolarHBondContact O-N 3.02Å; R80-L83 PolarHBondContact O-N 3.41Å; R80-S84 WeakPolarHBondContact O-CB 3.37Å; R80-S84 PolarHBondContact O-N 3.26Å; R80-S84 PolarHBondContact O-OG 3.46Å |
| 81 | R | 80.6 | Confident | 70.8 | Confident | 151 Ų | 151 | 109.1 Ų | 109.1 | 57% | 0.57 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.4 | -44.4 | 173.7 | -70.7 | -179 | -161.4 | 107.5 | -5.8 | 111 | R77 A78 L79 L83 S84 L85 | R77-R81 WeakPolarHBondContact O-CG 3.29Å; R77-R81 PolarHBondContact O-N 3.4Å; A78-R81 WeakPolarHBondContact O-CB 3.46Å; A78-R81 PolarHBondContact O-N 2.68Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3.36Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-L83 PolarHBondContact O-N 3.16Å; R81-S84 PolarHBondContact O-N 2.99Å; R81-S84 PolarHBondContact O-OG 3.34Å; R81-L85 WeakPolarHBondContact O-CG 3.3Å; R81-L85 PolarHBondContact O-N 3.21Å |
| 82 | Q | 80.4 | Confident | 70 | Confident | 126 Ų | 126 | 108.2 Ų | 108.2 | 59% | 0.589 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.4 | -42.5 | 175.5 | -68 | -178.7 | 23.9 | 0 | 0 | 112.2 | A78 L79 S84 L85 A86 | A78-Q82 WeakPolarHBondContact O-CG 3.48Å; A78-Q82 PolarHBondContact O-N 3.33Å; L79-Q82 PolarHBondContact O-N 3.4Å; L79-Q82 VanDerWaalsContact O-N 3.15Å; Q82-S84 VanDerWaalsContact C-N 3.34Å; Q82-S84 PolarHBondContact O-N 2.81Å; Q82-L85 PolarHBondContact O-N 3.48Å; Q82-A86 WeakPolarHBondContact O-CB 3.39Å; Q82-A86 PolarHBondContact O-N 3.48Å |
| 83 | L | 76 | Confident | 68.8 | Low | 114 Ų | 114 | 112.1 Ų | 112.1 | 60% | 0.597 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.2 | -36.6 | 178.4 | -138.6 | 142.3 | 0 | 0 | 0 | 111.1 | L79 R80 R81 L85 A86 Q87 | L79-L83 WeakPolarHBondContact O-CB 3.46Å; L79-L83 PolarHBondContact O-N 2.97Å; R80-L83 PolarHBondContact O-N 3.41Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-L83 PolarHBondContact O-N 3.16Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 3.15Å; L83-A86 PolarHBondContact O-N 3.31Å; L83-Q87 WeakPolarHBondContact O-CB 3.08Å; L83-Q87 PolarHBondContact O-N 3.17Å |
| 84 | S | 69.1 | Low | 68 | Low | 67 Ų | 67 | 119.9 Ų | 119.9 | 47% | 0.469 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.9 | -36.8 | 173.4 | 75 | 0 | 0 | 0 | 0 | 112.6 | R80 R81 Q82 G88 | R80-S84 WeakPolarHBondContact O-CB 3.37Å; R80-S84 PolarHBondContact O-N 3.26Å; R80-S84 PolarHBondContact O-OG 3.46Å; R81-S84 PolarHBondContact O-N 2.99Å; R81-S84 PolarHBondContact O-OG 3.34Å; Q82-S84 VanDerWaalsContact C-N 3.34Å; Q82-S84 PolarHBondContact O-N 2.81Å; S84-G88 PolarHBondContact O-N 2.72Å |
| 85 | L | 71.5 | Confident | 66.9 | Low | 132 Ų | 132 | 126 Ų | 126 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.5 | -38.8 | 174.9 | -68.5 | 169.5 | 0 | 0 | 0 | 111.3 | R81 Q82 L83 R89 | R81-L85 WeakPolarHBondContact O-CG 3.3Å; R81-L85 PolarHBondContact O-N 3.21Å; Q82-L85 PolarHBondContact O-N 3.48Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 3.15Å; L85-R89 PolarHBondContact O-N 3.1Å |
| 86 | A | 64.5 | Low | 65.6 | Low | 63 Ų | 63 | 123 Ų | 123 | 52% | 0.521 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.4 | -37.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q82 L83 R89 A90 | Q82-A86 WeakPolarHBondContact O-CB 3.39Å; Q82-A86 PolarHBondContact O-N 3.48Å; L83-A86 PolarHBondContact O-N 3.31Å; A86-R89 CarbonylContact O-C 3.54Å; A86-R89 WeakPolarHBondContact O-CA 3.47Å; A86-R89 WeakPolarHBondContact O-CB 3.12Å; A86-R89 PolarHBondContact O-N 2.97Å; A86-R89 VanDerWaalsContact O-N 3.1Å; A86-A90 PolarHBondContact O-N 3.24Å |
| 87 | Q | 63.5 | Low | 64.7 | Low | 136 Ų | 136 | 126.7 Ų | 126.7 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.4 | -30.8 | 178.1 | -166.6 | 174.7 | 27.1 | 0 | 0 | 111.9 | L83 R89 A90 | L83-Q87 WeakPolarHBondContact O-CB 3.08Å; L83-Q87 PolarHBondContact O-N 3.17Å; Q87-R89 PolarHBondContact O-N 3.29Å; Q87-A90 PolarHBondContact O-N 2.89Å |
| 88 | G | 56.9 | Low | 63.4 | Low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -13 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S84 | S84-G88 PolarHBondContact O-N 2.72Š|
| 89 | R | 55.7 | Low | 62.2 | Low | 228 Ų | 228 | 133.8 Ų | 133.8 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -5.3 | 174.4 | -159.5 | 162.3 | 179.4 | 93.6 | -1.9 | 113.3 | L85 A86 Q87 | L85-R89 PolarHBondContact O-N 3.1Å; A86-R89 CarbonylContact O-C 3.54Å; A86-R89 WeakPolarHBondContact O-CA 3.47Å; A86-R89 WeakPolarHBondContact O-CB 3.12Å; A86-R89 PolarHBondContact O-N 2.97Å; A86-R89 VanDerWaalsContact O-N 3.1Å; Q87-R89 PolarHBondContact O-N 3.29Å |
| 90 | A | 56.4 | Low | 60.8 | Low | 51 Ų | 51 | 138.6 Ų | 138.6 | 42% | 0.421 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -93.1 | 144.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A86 Q87 S92 | A86-A90 PolarHBondContact O-N 3.24Å; Q87-A90 PolarHBondContact O-N 2.89Å; A90-S92 PolarHBondContact O-N 3.42Å |
| 91 | P | 48.4 | Very low | 59.2 | Low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | trans | -63.5 | 110.1 | 177.5 | -8.8 | 21.6 | 0 | 0 | 0 | 109.5 | H93 | P91-H93 PolarHBondContact O-N 3.41Š| ||
| 92 | S | 51.8 | Low | 57.6 | Low | 108 Ų | 108 | 139.2 Ų | 139.2 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -67.1 | 98.5 | 176 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | A90 R94 | A90-S92 PolarHBondContact O-N 3.42Å; S92-R94 VanDerWaalsContact C-N 3.33Å; S92-R94 PolarHBondContact O-N 3.43Å | ||
| 93 | H | 50.2 | Low | 56.3 | Low | 179 Ų | 179 | 137.6 Ų | 137.6 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | trans | -68.2 | 97.6 | 162.5 | -88.9 | -73.5 | 0 | 0 | 0 | 108 | P91 R95 | P91-H93 PolarHBondContact O-N 3.41Å; H93-R95 PolarHBondContact O-N 2.85Å | ||
| 94 | R | 60.8 | Low | 55.1 | Low | 243 Ų | 243 | 141 Ų | 141 | 92% | 0.917 | 74% | 0.741 | S | S | * | * | trans | -47 | 100.8 | 165.7 | -80.6 | -178.3 | 173.5 | -176.1 | -1.7 | 109.7 | S92 | S92-R94 VanDerWaalsContact C-N 3.33Å; S92-R94 PolarHBondContact O-N 3.43Å | ||
| 95 | R | 51.3 | Low | 54.2 | Low | 251 Ų | 251 | 145.7 Ų | 145.7 | 95% | 0.947 | 76% | 0.756 | S | S | * | * | trans | -102.9 | 116.9 | 162.1 | -154.7 | 172.3 | -160.5 | -142.9 | 2.2 | 107.5 | H93 | H93-R95 PolarHBondContact O-N 2.85Š| ||
| 96 | G | 47.6 | Very low | 53.4 | Low | 55 Ų | 55 | 148.7 Ų | 148.7 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | trans | -64.7 | 155.8 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116 | H98 | G96-H98 PolarHBondContact O-N 2.8Š| ||
| 97 | N | 54.4 | Low | 52.5 | Low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -48.5 | 112.6 | 165.6 | -77.9 | -19.7 | 0 | 0 | 0 | 112.1 | ||||
| 98 | H | 52.9 | Low | 52 | Low | 181 Ų | 181 | 149.9 Ų | 149.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -130.4 | 64.5 | 154.6 | -55.3 | -62.2 | 0 | 0 | 0 | 108.7 | G96 K100 | G96-H98 PolarHBondContact O-N 2.8Å; H98-K100 VanDerWaalsContact C-N 3.34Å; H98-K100 PolarHBondContact O-N 3.04Å | ||
| 99 | S | 55.8 | Low | 51.4 | Low | 104 Ų | 104 | 149.1 Ų | 149.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -66.7 | 93.9 | 162.7 | 52.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 100 | K | 50.8 | Low | 51.1 | Low | 196 Ų | 196 | 144.6 Ų | 144.6 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -110.8 | 77.6 | 158.8 | -135.7 | 174.3 | -172.8 | 178 | 0 | 107.2 | H98 Y102 | H98-K100 VanDerWaalsContact C-N 3.34Å; H98-K100 PolarHBondContact O-N 3.04Å; K100-Y102 PolarHBondContact O-N 2.77Å | ||
| 101 | T | 43.5 | Very low | 51.1 | Low | 122 Ų | 122 | 147.2 Ų | 147.2 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -58.5 | 108.1 | 161.5 | -45.7 | 0 | 0 | 0 | 0 | 106.4 | S103 | T101-S103 PolarHBondContact O-N 3.43Š| ||
| 102 | Y | 47.7 | Very low | 51.3 | Low | 219 Ų | 219 | 149.4 Ų | 149.4 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -77.9 | 105.3 | 166.7 | 55.3 | -87.3 | 0 | 0 | 0 | 106.6 | K100 | K100-Y102 PolarHBondContact O-N 2.77Š| ||
| 103 | S | 52.3 | Low | 51.5 | Low | 91 Ų | 91 | 150.2 Ų | 150.2 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -61.3 | 135.7 | 171 | -92.1 | 0 | 0 | 0 | 0 | 109.8 | T101 E105 | T101-S103 PolarHBondContact O-N 3.43Å; S103-E105 PolarHBondContact O-N 2.92Å | ||
| 104 | M | 52.2 | Low | 51.5 | Low | 185 Ų | 185 | 150.3 Ų | 150.3 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -66 | 107.6 | 161.8 | 174.8 | -168.7 | 177.6 | 0 | 0 | 108 | ||||
| 105 | E | 50.1 | Low | 51.1 | Low | 166 Ų | 166 | 150.5 Ų | 150.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -141.9 | 118.5 | 152.8 | 59.7 | -160.8 | 118.5 | 0 | 0 | 109 | S103 G107 | S103-E105 PolarHBondContact O-N 2.92Å; E105-G107 PolarHBondContact O-N 3.36Å | ||
| 106 | E | 54.2 | Low | 51.1 | Low | 195 Ų | 195 | 143 Ų | 143 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | trans | -58.1 | 116.4 | 171.2 | -168.2 | 157.6 | 140.5 | 0 | 0 | 109 | ||||
| 107 | G | 46.8 | Very low | 51.2 | Low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -160 | 103.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E105 G109 | E105-G107 PolarHBondContact O-N 3.36Å; G107-G109 PolarHBondContact O-N 2.85Å | ||
| 108 | T | 52.4 | Low | 51.2 | Low | 159 Ų | 159 | 144.6 Ų | 144.6 | 98% | 0.975 | 79% | 0.794 | S | S | * | * | trans | -53.4 | 101.2 | 166.5 | -54.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 109 | G | 45.1 | Very low | 51.3 | Low | 57 Ų | 57 | 143 Ų | 143 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | trans | -144.7 | 90.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G107 S111 | G107-G109 PolarHBondContact O-N 2.85Å; G109-S111 PolarHBondContact O-N 3.01Å | ||
| 110 | D | 48.8 | Very low | 51.4 | Low | 134 Ų | 134 | 143 Ų | 143 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | trans | -37.2 | 124.3 | 161.5 | -178 | 13.8 | 0 | 0 | 0 | 111.8 | ||||
| 111 | S | 54.9 | Low | 51.2 | Low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -146.5 | 66.5 | 172.4 | 49.9 | 0 | 0 | 0 | 0 | 110.9 | G109 N113 | G109-S111 PolarHBondContact O-N 3.01Å; S111-N113 PolarHBondContact O-N 3.3Å | ||
| 112 | E | 53.5 | Low | 51.2 | Low | 168 Ų | 168 | 138.3 Ų | 138.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -63.6 | 54.3 | 158.3 | 56.5 | 172.5 | 136.9 | 0 | 0 | 113.3 | ||||
| 113 | N | 55.5 | Low | 51.4 | Low | 126 Ų | 126 | 133.9 Ų | 133.9 | 67% | 0.674 | 80% | 0.801 | S | S | * | * | trans | -157.9 | 52.9 | 176.4 | -160.9 | 9.7 | 0 | 0 | 0 | 117.2 | S111 | S111-N113 PolarHBondContact O-N 3.3Š| ||
| 114 | L | 50.1 | Low | 51.4 | Low | 181 Ų | 181 | 134.4 Ų | 134.4 | 95% | 0.948 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -132.2 | 29.4 | 164.8 | -74.2 | 172.1 | 0 | 0 | 0 | 113.5 | ||
| 115 | R | 52.3 | Low | 51.4 | Low | 246 Ų | 246 | 134.8 Ų | 134.8 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -122.1 | 51.9 | 171 | -158.2 | -178 | -164.9 | -93.5 | 0.5 | 112.5 | ||
| 116 | A | 52.4 | Low | 51.3 | Low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -150 | 31.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 117 | G | 50.3 | Low | 51.2 | Low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -143.2 | 15.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 118 | I | 52.7 | Low | 51.3 | Low | 172 Ų | 172 | 132.3 Ų | 132.3 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -130.7 | 61 | 168.8 | -46 | -176.9 | 0 | 0 | 0 | 108.7 | ||||
| 119 | V | 56.5 | Low | 51 | Low | 146 Ų | 146 | 133.1 Ų | 133.1 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -130.1 | 73.2 | 163.5 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 120 | A | 56.5 | Low | 51.5 | Low | 104 Ų | 104 | 135.5 Ų | 135.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -178.3 | 92 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 121 | G | 47.8 | Very low | 52 | Low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 168.9 | 95.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 122 | N | 43.8 | Very low | 51.9 | Low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | 78.1 | 99.5 | 170.2 | 179.7 | -25.4 | 0 | 0 | 0 | 116.6 | S124 | N122-S124 PolarHBondContact OD1-N 2.79Š| ||
| 123 | S | 51.4 | Low | 51.8 | Low | 126 Ų | 126 | 136.5 Ų | 136.5 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -82.6 | 116.4 | 156.1 | -38.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 124 | S | 51.4 | Low | 51.4 | Low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | -125.3 | 95.3 | 147.7 | 63.6 | 0 | 0 | 0 | 0 | 107.5 | N122 C126 | N122-S124 PolarHBondContact OD1-N 2.79Å; S124-C126 PolarHBondContact O-N 2.99Å; S124-C126 VanDerWaalsContact O-N 3.15Å | ||
| 125 | E | 52 | Low | 51.3 | Low | 193 Ų | 193 | 136.4 Ų | 136.4 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -60.5 | 103.7 | 168.6 | -177.1 | 178.5 | 170 | 0 | 0 | 108.6 | ||||
| 126 | C | 48.7 | Very low | 51.3 | Low | 129 Ų | 129 | 132.4 Ų | 132.4 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -104.6 | 108 | 161.4 | -159.1 | 0 | 0 | 0 | 0 | 106.8 | S124 | S124-C126 PolarHBondContact O-N 2.99Å; S124-C126 VanDerWaalsContact O-N 3.15Å | ||
| 127 | G | 52.2 | Low | 50.7 | Low | 59 Ų | 59 | 134.8 Ų | 134.8 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | trans | -70 | 149.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 128 | Q | 49.3 | Very low | 50.5 | Low | 187 Ų | 187 | 139.4 Ų | 139.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 38.9 | 110.9 | 151.4 | -65.4 | -166.1 | 13.3 | 0 | 0 | 119.8 | P130 | Q128-P130 WeakPolarHBondContact O-CD 3.34Š| ||
| 129 | Q | 45.1 | Very low | 50.3 | Low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -52.3 | 125.3 | 151.1 | -179.1 | 179.1 | 51.6 | 0 | 0 | 111.8 | ||||
| 130 | P | 56.2 | Low | 49.6 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -79.6 | 128.7 | 151.8 | 28.8 | -27.5 | 0 | 0 | 0 | 109.2 | Q128 V132 | Q128-P130 WeakPolarHBondContact O-CD 3.34Å; P130-V132 PolarHBondContact O-N 2.96Å; P130-V132 VanDerWaalsContact O-N 3.16Å | ||
| 131 | V | 59.8 | Low | 49 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | -53.2 | 113.1 | 168 | 163.7 | 0 | 0 | 0 | 0 | 108.4 | E133 | V131-E133 PolarHBondContact O-N 3.46Š| ||
| 132 | V | 51.6 | Low | 48.6 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -83 | 114.7 | 165.9 | -170.8 | 0 | 0 | 0 | 0 | 106.1 | P130 K134 | P130-V132 PolarHBondContact O-N 2.96Å; P130-V132 VanDerWaalsContact O-N 3.16Å; V132-K134 PolarHBondContact O-N 3.2Å | ||
| 133 | E | 52.8 | Low | 48.7 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -54.6 | 134.7 | 175.4 | -74.3 | -174.3 | 130.7 | 0 | 0 | 110.1 | V131 C135 | V131-E133 PolarHBondContact O-N 3.46Å; E133-C135 PolarHBondContact O-N 3.01Å | ||
| 134 | K | 47.3 | Very low | 48.6 | Very low | 186 Ų | 186 | 136.3 Ų | 136.3 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | trans | -65 | 102.6 | 176.7 | -164.9 | 176.2 | -177.7 | -168.2 | 0 | 107.3 | V132 E136 | V132-K134 PolarHBondContact O-N 3.2Å; K134-E136 PolarHBondContact O-N 2.87Å | ||
| 135 | C | 48.2 | Very low | 48 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -65.8 | 102.6 | 168.7 | -62.8 | 0 | 0 | 0 | 0 | 107.7 | E133 T137 | E133-C135 PolarHBondContact O-N 3.01Å; C135-T137 PolarHBondContact O-N 3.35Å | ||
| 136 | E | 51.1 | Low | 47.5 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -66.6 | 122.2 | 168.7 | -63.4 | -171.4 | 147.5 | 0 | 0 | 108.4 | K134 E138 | K134-E136 PolarHBondContact O-N 2.87Å; E136-E138 PolarHBondContact O-N 2.91Å; E136-E138 VanDerWaalsContact O-N 3.08Å | ||
| 137 | T | 40.1 | Very low | 47.5 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -78.7 | 86.2 | 174.8 | -44.5 | 0 | 0 | 0 | 0 | 108.8 | C135 | C135-T137 PolarHBondContact O-N 3.35Š| ||
| 138 | E | 46.4 | Very low | 47.2 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -81.8 | 141.8 | 158.9 | -73 | -161.9 | 138.2 | 0 | 0 | 110.4 | E136 S140 | E136-E138 PolarHBondContact O-N 2.91Å; E136-E138 VanDerWaalsContact O-N 3.08Å; E138-S140 PolarHBondContact O-N 2.95Å | ||
| 139 | P | 48.7 | Very low | 47.1 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -91.6 | 97.6 | -171.4 | 34.6 | -28.3 | 0 | 0 | 0 | 109.5 | ||||
| 140 | S | 41.4 | Very low | 47.2 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -160.2 | 115.3 | 162.2 | -85.3 | 0 | 0 | 0 | 0 | 112.3 | E138 | E138-S140 PolarHBondContact O-N 2.95Š| ||
| 141 | A | 44.2 | Very low | 46.7 | Very low | 87 Ų | 87 | 143.3 Ų | 143.3 | 72% | 0.719 | 82% | 0.823 | S | S | * | * | trans | 57.7 | 106.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 142 | L | 39.3 | Very low | 45.8 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 88% | 0.88 | 83% | 0.828 | S | S | * | * | trans | 84.8 | 135.8 | 145.2 | -66.9 | 149.4 | 0 | 0 | 0 | 118.7 | ||||
| 143 | P | 46.2 | Very low | 45.4 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -90.9 | -173.1 | 174.4 | 45 | -37.5 | 0 | 0 | 0 | 109.2 | ||||
| 144 | P | 49.1 | Very low | 44.8 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 64% | 0.643 | 83% | 0.832 | S | S | * | * | cis | -144.4 | -177.4 | 10 | 43.4 | -23.8 | 0 | 0 | 0 | 116.7 | ||||
| 145 | H | 38.9 | Very low | 44.6 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | trans | 67.4 | 101.3 | 151.8 | -73.8 | -67.9 | 0 | 0 | 0 | 119.7 | ||||
| 146 | C | 41.8 | Very low | 44.3 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 100% | 1.405 | 84% | 0.836 | S | S | * | * | -152.6 | 0 | 116.3 | -91.6 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 146 of 146 residues in 31.4 ms
(Link to these results)