| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.5 | Very low | 44.5 | Very low | 212 Ų | 212 | 143.9 Ų | 143.9 | 100% | 1.044 | 67% | 0.669 | S | S | * | * | 0 | -47.4 | 0 | -117.8 | 179.3 | -160.5 | 0 | 0 | 113 | Y3 Y4 | M1-Y3 VanDerWaalsContact C-N 3.35Å; M1-Y3 PolarHBondContact O-N 3.35Å; M1-Y4 PolarHBondContact O-N 3.36Å | |||
| 2 | F | 40.8 | Very low | 45.5 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 80% | 0.798 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -58.3 | -36.5 | 179.3 | -79.7 | -84.6 | 0 | 0 | 0 | 115.3 | Y4 F5 N6 | F2-Y4 VanDerWaalsContact C-N 3.35Å; F2-Y4 PolarHBondContact O-N 3.34Å; F2-F5 PolarHBondContact O-N 3.29Å; F2-N6 PolarHBondContact O-N 3.4Å |
| 3 | Y | 44.1 | Very low | 46.1 | Very low | 205 Ų | 205 | 135.5 Ų | 135.5 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.5 | -35.8 | 178.9 | -79.1 | -81.6 | 0 | 0 | 0 | 113.8 | M1 Q7 | M1-Y3 VanDerWaalsContact C-N 3.35Å; M1-Y3 PolarHBondContact O-N 3.35Å; Y3-Q7 PolarHBondContact O-N 3.32Å |
| 4 | Y | 43.4 | Very low | 47.1 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.6 | -37 | 178.4 | -91.2 | -86.9 | 0 | 0 | 0 | 112.1 | M1 F2 Q7 I8 | M1-Y4 PolarHBondContact O-N 3.36Å; F2-Y4 VanDerWaalsContact C-N 3.35Å; F2-Y4 PolarHBondContact O-N 3.34Å; Y4-Q7 PolarHBondContact O-N 3.09Å; Y4-I8 WeakPolarHBondContact O-CG1 3.48Å; Y4-I8 PolarHBondContact O-N 3.25Å; Y4-I8 VanDerWaalsContact O-N 3.09Å |
| 5 | F | 39 | Very low | 48.2 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.3 | -40.8 | -178.7 | -142.6 | -87.7 | 0 | 0 | 0 | 111.8 | F2 Q7 I8 N9 | F2-F5 PolarHBondContact O-N 3.29Å; F5-Q7 VanDerWaalsContact C-N 3.32Å; F5-Q7 PolarHBondContact O-N 3.04Å; F5-I8 PolarHBondContact O-N 3.07Å; F5-N9 PolarHBondContact O-N 3.42Å; F5-N9 VanDerWaalsContact O-N 3.07Å |
| 6 | N | 38.3 | Very low | 49.4 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 57% | 0.567 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.8 | -35.4 | 175 | -78 | -18.9 | 0 | 0 | 0 | 112.5 | F2 N9 M10 | F2-N6 PolarHBondContact O-N 3.4Å; N6-N9 PolarHBondContact O-N 3.41Å; N6-M10 WeakPolarHBondContact O-CB 3.41Å; N6-M10 VanDerWaalsContact O-CG 3.26Å; N6-M10 WeakPolarHBondContact O-CG 3.27Å; N6-M10 PolarHBondContact O-N 3.44Å |
| 7 | Q | 41.3 | Very low | 50.4 | Low | 134 Ų | 134 | 126.8 Ų | 126.8 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.9 | -39.4 | 179.3 | -148.8 | 175.9 | 29.9 | 0 | 0 | 111.9 | Y3 Y4 F5 N11 | Y3-Q7 PolarHBondContact O-N 3.32Å; Y4-Q7 PolarHBondContact O-N 3.09Å; F5-Q7 VanDerWaalsContact C-N 3.32Å; F5-Q7 PolarHBondContact O-N 3.04Å; Q7-N11 WeakPolarHBondContact O-CB 3.44Å; Q7-N11 PolarHBondContact O-N 3.44Å |
| 8 | I | 49.1 | Very low | 51.5 | Low | 104 Ų | 104 | 128.1 Ų | 128.1 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.3 | -46 | 174 | -65.5 | 168.3 | 0 | 0 | 0 | 110.3 | Y4 F5 M10 N11 V12 | Y4-I8 WeakPolarHBondContact O-CG1 3.48Å; Y4-I8 PolarHBondContact O-N 3.25Å; Y4-I8 VanDerWaalsContact O-N 3.09Å; F5-I8 PolarHBondContact O-N 3.07Å; I8-M10 PolarHBondContact O-N 3.01Å; I8-N11 WeakPolarHBondContact O-CB 3.26Å; I8-N11 PolarHBondContact O-N 3.37Å; I8-N11 VanDerWaalsContact O-N 3.09Å; I8-V12 HydrophobicContact CG2-CG2 4.37Å; I8-V12 WeakPolarHBondContact O-CG2 3.37Å; I8-V12 PolarHBondContact O-N 3.23Å |
| 9 | N | 43.1 | Very low | 52.5 | Low | 101 Ų | 101 | 127.2 Ų | 127.2 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.6 | -41.8 | -178.5 | -132.9 | 10 | 0 | 0 | 0 | 111.9 | F5 N6 N11 V12 Q13 | F5-N9 PolarHBondContact O-N 3.42Å; F5-N9 VanDerWaalsContact O-N 3.07Å; N6-N9 PolarHBondContact O-N 3.41Å; N9-N11 VanDerWaalsContact C-N 3.29Å; N9-N11 PolarHBondContact O-N 3.46Å; N9-V12 PolarHBondContact O-N 3.09Å; N9-Q13 WeakPolarHBondContact O-CB 3.5Å; N9-Q13 PolarHBondContact O-N 3Å |
| 10 | M | 51.9 | Low | 53.5 | Low | 108 Ų | 108 | 125.2 Ų | 125.2 | 53% | 0.532 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.7 | -36.7 | 172.9 | -75.6 | -84.7 | -78 | 0 | 0 | 112.3 | N6 I8 K14 | N6-M10 WeakPolarHBondContact O-CB 3.41Å; N6-M10 VanDerWaalsContact O-CG 3.26Å; N6-M10 WeakPolarHBondContact O-CG 3.27Å; N6-M10 PolarHBondContact O-N 3.44Å; I8-M10 PolarHBondContact O-N 3.01Å; M10-K14 WeakPolarHBondContact O-CB 3.39Å; M10-K14 VanDerWaalsContact O-CG 3.27Å; M10-K14 WeakPolarHBondContact O-CG 3.46Å; M10-K14 PolarHBondContact O-N 2.91Å |
| 11 | N | 53.1 | Low | 54.4 | Low | 111 Ų | 111 | 123.5 Ų | 123.5 | 59% | 0.594 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.4 | -41.4 | 178.5 | -129.3 | 13.1 | 0 | 0 | 0 | 111.7 | Q7 I8 N9 K14 T15 | Q7-N11 WeakPolarHBondContact O-CB 3.44Å; Q7-N11 PolarHBondContact O-N 3.44Å; I8-N11 WeakPolarHBondContact O-CB 3.26Å; I8-N11 PolarHBondContact O-N 3.37Å; I8-N11 VanDerWaalsContact O-N 3.09Å; N9-N11 VanDerWaalsContact C-N 3.29Å; N9-N11 PolarHBondContact O-N 3.46Å; N11-K14 PolarHBondContact O-N 2.94Å; N11-T15 PolarHBondContact O-N 2.96Å; N11-T15 PolarHBondContact O-OG1 3.4Å |
| 12 | V | 55.9 | Low | 55.7 | Low | 71 Ų | 71 | 116.6 Ų | 116.6 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 174.7 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | I8 N9 K14 T15 I16 | I8-V12 HydrophobicContact CG2-CG2 4.37Å; I8-V12 WeakPolarHBondContact O-CG2 3.37Å; I8-V12 PolarHBondContact O-N 3.23Å; N9-V12 PolarHBondContact O-N 3.09Å; V12-K14 PolarHBondContact O-N 3.15Å; V12-T15 WeakPolarHBondContact O-CB 3.36Å; V12-T15 PolarHBondContact O-N 3.41Å; V12-T15 VanDerWaalsContact O-N 3.15Å; V12-I16 HydrophobicContact CG1-CD1 3.86Å; V12-I16 HydrophobicContact CG1-CG1 4.42Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 2.88Å |
| 13 | Q | 53.8 | Low | 57.3 | Low | 107 Ų | 107 | 113 Ų | 113 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 178.3 | -168.2 | 176.2 | -16.5 | 0 | 0 | 111.7 | N9 T15 I16 E17 | N9-Q13 WeakPolarHBondContact O-CB 3.5Å; N9-Q13 PolarHBondContact O-N 3Å; Q13-T15 VanDerWaalsContact C-N 3.3Å; Q13-T15 PolarHBondContact O-N 2.9Å; Q13-I16 PolarHBondContact O-N 3.19Å; Q13-E17 PolarHBondContact NE2-OE1 3.35Å; Q13-E17 WeakPolarHBondContact O-CB 3.46Å; Q13-E17 VanDerWaalsContact O-CG 3.31Å; Q13-E17 WeakPolarHBondContact O-CG 3.44Å; Q13-E17 PolarHBondContact O-N 3.28Å |
| 14 | K | 59.6 | Low | 58.8 | Low | 127 Ų | 127 | 108.3 Ų | 108.3 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61 | -38.1 | 173 | -76.7 | 178.3 | -179 | -173.7 | 0 | 112.6 | M10 N11 V12 Y18 | M10-K14 WeakPolarHBondContact O-CB 3.39Å; M10-K14 VanDerWaalsContact O-CG 3.27Å; M10-K14 WeakPolarHBondContact O-CG 3.46Å; M10-K14 PolarHBondContact O-N 2.91Å; N11-K14 PolarHBondContact O-N 2.94Å; V12-K14 PolarHBondContact O-N 3.15Å; K14-Y18 VanDerWaalsContact O-CB 3.23Å; K14-Y18 WeakPolarHBondContact O-CB 3.31Å; K14-Y18 PolarHBondContact O-N 3.31Å |
| 15 | T | 64.1 | Low | 60.3 | Low | 85 Ų | 85 | 103.7 Ų | 103.7 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | N11 V12 Q13 Y18 E19 | N11-T15 PolarHBondContact O-N 2.96Å; N11-T15 PolarHBondContact O-OG1 3.4Å; V12-T15 WeakPolarHBondContact O-CB 3.36Å; V12-T15 PolarHBondContact O-N 3.41Å; V12-T15 VanDerWaalsContact O-N 3.15Å; Q13-T15 VanDerWaalsContact C-N 3.3Å; Q13-T15 PolarHBondContact O-N 2.9Å; T15-Y18 PolarHBondContact O-N 2.91Å; T15-E19 WeakPolarHBondContact O-CB 3.4Å; T15-E19 PolarHBondContact O-N 3.48Å |
| 16 | I | 67.7 | Low | 62.1 | Low | 89 Ų | 89 | 103 Ų | 103 | 46% | 0.456 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 176.7 | -66.7 | 167.9 | 0 | 0 | 0 | 110.4 | V12 Q13 Y18 E19 I20 | V12-I16 HydrophobicContact CG1-CD1 3.86Å; V12-I16 HydrophobicContact CG1-CG1 4.42Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 2.88Å; Q13-I16 PolarHBondContact O-N 3.19Å; I16-Y18 VanDerWaalsContact C-N 3.33Å; I16-Y18 PolarHBondContact O-N 3.45Å; I16-E19 PolarHBondContact O-N 3.43Å; I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.43Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.27Å; I16-I20 PolarHBondContact O-N 3.44Å |
| 17 | E | 65.9 | Low | 64 | Low | 94 Ų | 94 | 102.2 Ų | 102.2 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 176.8 | -74.6 | 173.4 | -170.8 | 0 | 0 | 111.2 | Q13 I20 I21 | Q13-E17 PolarHBondContact NE2-OE1 3.35Å; Q13-E17 WeakPolarHBondContact O-CB 3.46Å; Q13-E17 VanDerWaalsContact O-CG 3.31Å; Q13-E17 WeakPolarHBondContact O-CG 3.44Å; Q13-E17 PolarHBondContact O-N 3.28Å; E17-I20 PolarHBondContact O-N 2.86Å; E17-I21 WeakPolarHBondContact O-CB 3.23Å; E17-I21 WeakPolarHBondContact O-CD1 3.28Å; E17-I21 WeakPolarHBondContact O-CG1 3.19Å; E17-I21 PolarHBondContact O-N 3.25Å |
| 18 | Y | 70.2 | Confident | 65.7 | Low | 149 Ų | 149 | 98.4 Ų | 98.4 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 176.2 | -175.7 | -96.9 | 0 | 0 | 0 | 111.9 | K14 T15 I16 I21 Q22 | K14-Y18 VanDerWaalsContact O-CB 3.23Å; K14-Y18 WeakPolarHBondContact O-CB 3.31Å; K14-Y18 PolarHBondContact O-N 3.31Å; T15-Y18 PolarHBondContact O-N 2.91Å; I16-Y18 VanDerWaalsContact C-N 3.33Å; I16-Y18 PolarHBondContact O-N 3.45Å; Y18-I21 PolarHBondContact O-N 2.88Å; Y18-Q22 HydrophobicContact CD1-CG 3.94Å; Y18-Q22 HydrophobicContact CE1-CG 3.57Å; Y18-Q22 HydrophobicContact CE2-CG 4.47Å; Y18-Q22 WeakPolarHBondContact O-CB 3.4Å; Y18-Q22 VanDerWaalsContact O-CG 3.27Å; Y18-Q22 WeakPolarHBondContact O-CG 3.44Å; Y18-Q22 PolarHBondContact O-N 3.25Å; Y18-Q22 PolarHBondContact OH-NE2 2.93Å |
| 19 | E | 70.6 | Confident | 67 | Low | 111 Ų | 111 | 97.6 Ų | 97.6 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 178.8 | -166.5 | 175.1 | 179.5 | 0 | 0 | 111.9 | T15 I16 Q22 Q23 | T15-E19 WeakPolarHBondContact O-CB 3.4Å; T15-E19 PolarHBondContact O-N 3.48Å; I16-E19 PolarHBondContact O-N 3.43Å; E19-Q22 PolarHBondContact O-N 2.91Å; E19-Q23 WeakPolarHBondContact O-CG 3.44Å; E19-Q23 PolarHBondContact O-N 3.28Å |
| 20 | I | 72.7 | Confident | 68.5 | Low | 87 Ų | 87 | 98.6 Ų | 98.6 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 173.6 | -68.2 | 167.5 | 0 | 0 | 0 | 110.4 | I16 E17 Q22 Q23 L24 | I16-I20 HydrophobicContact CG2-CD1 3.78Å; I16-I20 HydrophobicContact CG2-CG1 4.43Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.27Å; I16-I20 PolarHBondContact O-N 3.44Å; E17-I20 PolarHBondContact O-N 2.86Å; I20-Q22 VanDerWaalsContact C-N 3.33Å; I20-Q22 PolarHBondContact O-N 3.45Å; I20-Q23 PolarHBondContact O-N 3.49Å; I20-L24 HydrophobicContact CG2-CD1 4.04Å; I20-L24 HydrophobicContact CG2-CG 4.45Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 2.89Å |
| 21 | I | 72 | Confident | 69.6 | Low | 90 Ų | 90 | 98.4 Ų | 98.4 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 177.4 | -70.4 | 164.8 | 0 | 0 | 0 | 110.5 | E17 Y18 Q23 L24 I25 | E17-I21 WeakPolarHBondContact O-CB 3.23Å; E17-I21 WeakPolarHBondContact O-CD1 3.28Å; E17-I21 WeakPolarHBondContact O-CG1 3.19Å; E17-I21 PolarHBondContact O-N 3.25Å; Y18-I21 PolarHBondContact O-N 2.88Å; I21-Q23 PolarHBondContact O-N 2.85Å; I21-L24 PolarHBondContact O-N 2.91Å; I21-I25 HydrophobicContact CG2-CD1 3.86Å; I21-I25 HydrophobicContact CG2-CG1 4.44Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.48Å; I21-I25 PolarHBondContact O-N 3.27Å |
| 22 | Q | 73.4 | Confident | 70.6 | Confident | 68 Ų | 68 | 96.5 Ų | 96.5 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.7 | -73.7 | -67.1 | -40.8 | 0 | 0 | 112.4 | Y18 E19 I20 I25 K26 | Y18-Q22 HydrophobicContact CD1-CG 3.94Å; Y18-Q22 HydrophobicContact CE1-CG 3.57Å; Y18-Q22 HydrophobicContact CE2-CG 4.47Å; Y18-Q22 WeakPolarHBondContact O-CB 3.4Å; Y18-Q22 VanDerWaalsContact O-CG 3.27Å; Y18-Q22 WeakPolarHBondContact O-CG 3.44Å; Y18-Q22 PolarHBondContact O-N 3.25Å; Y18-Q22 PolarHBondContact OH-NE2 2.93Å; E19-Q22 PolarHBondContact O-N 2.91Å; I20-Q22 VanDerWaalsContact C-N 3.33Å; I20-Q22 PolarHBondContact O-N 3.45Å; Q22-I25 PolarHBondContact O-N 3.04Å; Q22-K26 WeakPolarHBondContact O-CG 3.41Å; Q22-K26 PolarHBondContact O-N 2.91Å |
| 23 | Q | 74.1 | Confident | 71.4 | Confident | 106 Ų | 106 | 97.4 Ų | 97.4 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 173.8 | -71.5 | 178.8 | 20.8 | 0 | 0 | 111.6 | E19 I20 I21 I25 K26 I27 | E19-Q23 WeakPolarHBondContact O-CG 3.44Å; E19-Q23 PolarHBondContact O-N 3.28Å; I20-Q23 PolarHBondContact O-N 3.49Å; I21-Q23 PolarHBondContact O-N 2.85Å; Q23-I25 VanDerWaalsContact C-N 3.34Å; Q23-I25 PolarHBondContact O-N 3.05Å; Q23-K26 PolarHBondContact O-N 2.87Å; Q23-I27 WeakPolarHBondContact O-CG1 3.37Å; Q23-I27 PolarHBondContact O-N 2.98Å |
| 24 | L | 74.9 | Confident | 72 | Confident | 106 Ų | 106 | 99 Ų | 99 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | 176.6 | -71.7 | 171.7 | 0 | 0 | 0 | 112.2 | I20 I21 I27 A28 | I20-L24 HydrophobicContact CG2-CD1 4.04Å; I20-L24 HydrophobicContact CG2-CG 4.45Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 2.89Å; I21-L24 PolarHBondContact O-N 2.91Å; L24-I27 PolarHBondContact O-N 3.46Å; L24-A28 WeakPolarHBondContact O-CB 3.29Å; L24-A28 PolarHBondContact O-N 3.39Å |
| 25 | I | 76.2 | Confident | 72 | Confident | 75 Ų | 75 | 98.2 Ų | 98.2 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.2 | -69.4 | 166.9 | 0 | 0 | 0 | 110.2 | I21 Q22 Q23 I27 A28 D29 | I21-I25 HydrophobicContact CG2-CD1 3.86Å; I21-I25 HydrophobicContact CG2-CG1 4.44Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.48Å; I21-I25 PolarHBondContact O-N 3.27Å; Q22-I25 PolarHBondContact O-N 3.04Å; Q23-I25 VanDerWaalsContact C-N 3.34Å; Q23-I25 PolarHBondContact O-N 3.05Å; I25-I27 PolarHBondContact O-N 2.87Å; I25-A28 WeakPolarHBondContact O-CB 3.41Å; I25-A28 PolarHBondContact O-N 3.29Å; I25-A28 VanDerWaalsContact O-N 3.17Å; I25-D29 PolarHBondContact O-N 2.97Å |
| 26 | K | 76.9 | Confident | 71.9 | Confident | 133 Ų | 133 | 100.4 Ų | 100.4 | 58% | 0.578 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.6 | -44.4 | 177 | -74.9 | 178.9 | -179.5 | -178.8 | 0 | 112.7 | Q22 Q23 A28 D29 E30 | Q22-K26 WeakPolarHBondContact O-CG 3.41Å; Q22-K26 PolarHBondContact O-N 2.91Å; Q23-K26 PolarHBondContact O-N 2.87Å; K26-A28 VanDerWaalsContact C-N 3.31Å; K26-A28 PolarHBondContact O-N 3.43Å; K26-D29 PolarHBondContact O-N 2.92Å; K26-E30 WeakPolarHBondContact O-CB 3.49Å; K26-E30 WeakPolarHBondContact O-CG 3.34Å; K26-E30 PolarHBondContact O-N 3.46Å |
| 27 | I | 77.5 | Confident | 71.6 | Confident | 90 Ų | 90 | 102 Ų | 102 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.8 | -67.4 | 165.9 | 0 | 0 | 0 | 110.4 | Q23 L24 I25 E30 I31 | Q23-I27 WeakPolarHBondContact O-CG1 3.37Å; Q23-I27 PolarHBondContact O-N 2.98Å; L24-I27 PolarHBondContact O-N 3.46Å; I25-I27 PolarHBondContact O-N 2.87Å; I27-E30 PolarHBondContact O-N 3.26Å; I27-I31 HydrophobicContact CG2-CD1 3.83Å; I27-I31 VanDerWaalsContact O-CG1 3.24Å; I27-I31 WeakPolarHBondContact O-CG1 3.35Å; I27-I31 PolarHBondContact O-N 3.17Å |
| 28 | A | 76.5 | Confident | 71.2 | Confident | 54 Ų | 54 | 101.7 Ų | 101.7 | 45% | 0.446 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L24 I25 K26 I31 D32 | L24-A28 WeakPolarHBondContact O-CB 3.29Å; L24-A28 PolarHBondContact O-N 3.39Å; I25-A28 WeakPolarHBondContact O-CB 3.41Å; I25-A28 PolarHBondContact O-N 3.29Å; I25-A28 VanDerWaalsContact O-N 3.17Å; K26-A28 VanDerWaalsContact C-N 3.31Å; K26-A28 PolarHBondContact O-N 3.43Å; A28-I31 PolarHBondContact O-N 3.47Å; A28-D32 WeakPolarHBondContact O-CB 3.26Å; A28-D32 PolarHBondContact O-N 3.15Å |
| 29 | D | 76.4 | Confident | 70.6 | Confident | 87 Ų | 87 | 101.7 Ų | 101.7 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 176.7 | -73.7 | -18.7 | 0 | 0 | 0 | 111.8 | I25 K26 D32 N33 | I25-D29 PolarHBondContact O-N 2.97Å; K26-D29 PolarHBondContact O-N 2.92Å; D29-D32 PolarHBondContact O-N 3.23Å; D29-N33 VanDerWaalsContact O-CB 3.32Å; D29-N33 WeakPolarHBondContact O-CB 3.31Å; D29-N33 PolarHBondContact O-N 2.94Å; D29-N33 PolarHBondContact O-ND2 2.97Å |
| 30 | E | 75.2 | Confident | 69.7 | Low | 123 Ų | 123 | 99.8 Ų | 99.8 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.9 | -46.2 | 173.8 | -77.8 | 175 | -166.2 | 0 | 0 | 111.4 | K26 I27 N33 E34 | K26-E30 WeakPolarHBondContact O-CB 3.49Å; K26-E30 WeakPolarHBondContact O-CG 3.34Å; K26-E30 PolarHBondContact O-N 3.46Å; I27-E30 PolarHBondContact O-N 3.26Å; E30-N33 PolarHBondContact O-N 3.43Å; E30-E34 WeakPolarHBondContact O-CG 3.4Å; E30-E34 PolarHBondContact O-N 2.86Å |
| 31 | I | 74.1 | Confident | 68.7 | Low | 104 Ų | 104 | 101 Ų | 101 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.8 | -68 | 167.4 | 0 | 0 | 0 | 111.2 | I27 A28 N33 E34 F35 | I27-I31 HydrophobicContact CG2-CD1 3.83Å; I27-I31 VanDerWaalsContact O-CG1 3.24Å; I27-I31 WeakPolarHBondContact O-CG1 3.35Å; I27-I31 PolarHBondContact O-N 3.17Å; A28-I31 PolarHBondContact O-N 3.47Å; I31-N33 VanDerWaalsContact C-N 3.34Å; I31-E34 PolarHBondContact O-N 3.32Å; I31-F35 WeakPolarHBondContact O-CB 3.4Å; I31-F35 PolarHBondContact O-N 3.07Å |
| 32 | D | 74 | Confident | 67.8 | Low | 70 Ų | 70 | 105.1 Ų | 105.1 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 178.2 | -171.9 | 58.4 | 0 | 0 | 0 | 111.5 | A28 D29 F35 K36 | A28-D32 WeakPolarHBondContact O-CB 3.26Å; A28-D32 PolarHBondContact O-N 3.15Å; D29-D32 PolarHBondContact O-N 3.23Å; D32-F35 PolarHBondContact O-N 3.16Å; D32-K36 WeakPolarHBondContact O-CB 3.46Å; D32-K36 WeakPolarHBondContact O-CG 3.24Å; D32-K36 PolarHBondContact O-N 2.88Å; D32-K36 VanDerWaalsContact OD2-CE 3.26Å; D32-K36 WeakPolarHBondContact OD2-CE 3.37Å; D32-K36 IonicContact OD2-NZ 2.69Å; D32-K36 PolarHBondContact OD2-NZ 2.94Å |
| 33 | N | 74.3 | Confident | 66.9 | Low | 91 Ų | 91 | 108.1 Ų | 108.1 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 175.4 | -72.7 | -32.1 | 0 | 0 | 0 | 111.9 | D29 E30 I31 F35 K36 D37 | D29-N33 VanDerWaalsContact O-CB 3.32Å; D29-N33 WeakPolarHBondContact O-CB 3.31Å; D29-N33 PolarHBondContact O-N 2.94Å; D29-N33 PolarHBondContact O-ND2 2.97Å; E30-N33 PolarHBondContact O-N 3.43Å; I31-N33 VanDerWaalsContact C-N 3.34Å; N33-F35 PolarHBondContact O-N 2.86Å; N33-K36 PolarHBondContact O-N 2.69Å; N33-D37 WeakPolarHBondContact O-CB 3.49Å; N33-D37 PolarHBondContact O-N 3.45Å |
| 34 | E | 65.8 | Low | 65.8 | Low | 141 Ų | 141 | 106 Ų | 106 | 66% | 0.659 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60 | -35.2 | 173.3 | -77.1 | -170.4 | -177.1 | 0 | 0 | 112.2 | E30 I31 D37 | E30-E34 WeakPolarHBondContact O-CG 3.4Å; E30-E34 PolarHBondContact O-N 2.86Å; I31-E34 PolarHBondContact O-N 3.32Å; E34-D37 PolarHBondContact O-N 3Å |
| 35 | F | 59.5 | Low | 64.7 | Low | 110 Ų | 110 | 105.8 Ų | 105.8 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.3 | -41.3 | 176.4 | -160.7 | -93 | 0 | 0 | 0 | 112.1 | I31 D32 N33 D37 L40 | I31-F35 WeakPolarHBondContact O-CB 3.4Å; I31-F35 PolarHBondContact O-N 3.07Å; D32-F35 PolarHBondContact O-N 3.16Å; N33-F35 PolarHBondContact O-N 2.86Å; F35-D37 VanDerWaalsContact C-N 3.29Å; F35-D37 PolarHBondContact O-N 3.45Å; F35-L40 HydrophobicContact CD2-CB 4.04Å; F35-L40 HydrophobicContact CD2-CD1 3.59Å; F35-L40 HydrophobicContact CD2-CG 4.39Å; F35-L40 HydrophobicContact CE2-CB 4.05Å; F35-L40 HydrophobicContact CE2-CD1 4.11Å; F35-L40 HydrophobicContact CG-CD1 4.42Å |
| 36 | K | 61.5 | Low | 63.5 | Low | 130 Ų | 130 | 112.5 Ų | 112.5 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.2 | -27.5 | 174.5 | -81.6 | 174.1 | 178.1 | 153.2 | 0 | 113.1 | D32 N33 N38 | D32-K36 WeakPolarHBondContact O-CB 3.46Å; D32-K36 WeakPolarHBondContact O-CG 3.24Å; D32-K36 PolarHBondContact O-N 2.88Å; D32-K36 VanDerWaalsContact OD2-CE 3.26Å; D32-K36 WeakPolarHBondContact OD2-CE 3.37Å; D32-K36 IonicContact OD2-NZ 2.69Å; D32-K36 PolarHBondContact OD2-NZ 2.94Å; N33-K36 PolarHBondContact O-N 2.69Å; K36-N38 PolarHBondContact O-N 3.33Å |
| 37 | D | 62.9 | Low | 62.4 | Low | 123 Ų | 123 | 113 Ų | 113 | 66% | 0.658 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -69 | 41.9 | 179.2 | -103.2 | 5 | 0 | 0 | 0 | 113.5 | N33 E34 F35 Q39 | N33-D37 WeakPolarHBondContact O-CB 3.49Å; N33-D37 PolarHBondContact O-N 3.45Å; E34-D37 PolarHBondContact O-N 3Å; F35-D37 VanDerWaalsContact C-N 3.29Å; F35-D37 PolarHBondContact O-N 3.45Å; D37-Q39 PolarHBondContact O-N 2.87Å |
| 38 | N | 57.5 | Low | 61 | Low | 88 Ų | 88 | 112.7 Ų | 112.7 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | S | Bend | trans | 56.3 | -14.8 | 158.4 | -76.6 | -44.6 | 0 | 0 | 0 | 118.3 | K36 R42 | K36-N38 PolarHBondContact O-N 3.33Å; N38-R42 WeakPolarHBondContact O-CB 3.49Å; N38-R42 WeakPolarHBondContact O-CG 3.26Å; N38-R42 PolarHBondContact O-N 2.72Å |
| 39 | Q | 55.7 | Low | 59.4 | Low | 149 Ų | 149 | 116.6 Ų | 116.6 | 70% | 0.696 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.5 | -38.3 | -179.7 | -69.8 | -154 | 53.5 | 0 | 0 | 110.6 | D37 K43 | D37-Q39 PolarHBondContact O-N 2.87Å; Q39-K43 WeakPolarHBondContact O-CG 3.43Å; Q39-K43 PolarHBondContact O-N 3.44Å; Q39-K43 VanDerWaalsContact O-N 3.15Å |
| 40 | L | 52.2 | Low | 58 | Low | 70 Ų | 70 | 117.8 Ų | 117.8 | 37% | 0.366 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -76.3 | -40.3 | 174.2 | -79.1 | 165.4 | 0 | 0 | 0 | 111.7 | F35 R42 K43 C44 | F35-L40 HydrophobicContact CD2-CB 4.04Å; F35-L40 HydrophobicContact CD2-CD1 3.59Å; F35-L40 HydrophobicContact CD2-CG 4.39Å; F35-L40 HydrophobicContact CE2-CB 4.05Å; F35-L40 HydrophobicContact CE2-CD1 4.11Å; F35-L40 HydrophobicContact CG-CD1 4.42Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.32Å; L40-K43 PolarHBondContact O-N 2.88Å; L40-K43 VanDerWaalsContact O-N 3.08Å; L40-C44 WeakPolarHBondContact O-CB 3.27Å; L40-C44 PolarHBondContact O-N 3.49Å |
| 41 | K | 51.9 | Low | 56.5 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -55.9 | -46.5 | 172.5 | -170.5 | 176 | 177.9 | -178.1 | 0 | 112.1 | K43 C44 E45 | K41-K43 VanDerWaalsContact C-N 3.35Å; K41-K43 PolarHBondContact O-N 2.92Å; K41-C44 PolarHBondContact O-N 3.49Å; K41-E45 WeakPolarHBondContact CE-OE1 3.37Å; K41-E45 WeakPolarHBondContact O-CB 3.46Å; K41-E45 WeakPolarHBondContact O-CG 3.42Å; K41-E45 PolarHBondContact O-N 3.19Å |
| 42 | R | 53.9 | Low | 55 | Low | 177 Ų | 177 | 123.1 Ų | 123.1 | 67% | 0.668 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65 | -34 | 175.8 | -72.5 | 176.2 | -165.6 | -172.9 | 7.2 | 113.2 | N38 L40 R46 | N38-R42 WeakPolarHBondContact O-CB 3.49Å; N38-R42 WeakPolarHBondContact O-CG 3.26Å; N38-R42 PolarHBondContact O-N 2.72Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.32Å; R42-R46 PolarHBondContact O-N 2.97Å |
| 43 | K | 53.5 | Low | 53.3 | Low | 130 Ų | 130 | 121.9 Ų | 121.9 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.4 | -40.6 | 174.5 | -81.7 | 178.3 | 179.8 | 175.2 | 0 | 111.8 | Q39 L40 K41 R46 I47 | Q39-K43 WeakPolarHBondContact O-CG 3.43Å; Q39-K43 PolarHBondContact O-N 3.44Å; Q39-K43 VanDerWaalsContact O-N 3.15Å; L40-K43 PolarHBondContact O-N 2.88Å; L40-K43 VanDerWaalsContact O-N 3.08Å; K41-K43 VanDerWaalsContact C-N 3.35Å; K41-K43 PolarHBondContact O-N 2.92Å; K43-R46 PolarHBondContact O-N 3.36Å; K43-I47 WeakPolarHBondContact O-CG1 3.35Å; K43-I47 PolarHBondContact O-N 2.93Å |
| 44 | C | 50.6 | Low | 51.9 | Low | 62 Ų | 62 | 122.4 Ų | 122.4 | 42% | 0.419 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.5 | -39.5 | 177.7 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | L40 K41 R46 I47 S48 | L40-C44 WeakPolarHBondContact O-CB 3.27Å; L40-C44 PolarHBondContact O-N 3.49Å; K41-C44 PolarHBondContact O-N 3.49Å; C44-R46 VanDerWaalsContact C-N 3.26Å; C44-R46 PolarHBondContact O-N 2.86Å; C44-I47 CarbonylContact O-C 3.59Å; C44-I47 PolarHBondContact O-N 3.47Å; C44-S48 PolarHBondContact O-N 3.37Å; C44-S48 PolarHBondContact O-OG 3.39Å |
| 45 | E | 52.9 | Low | 50.7 | Low | 101 Ų | 101 | 123.7 Ų | 123.7 | 47% | 0.472 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.2 | -32.8 | 174.1 | -79 | 176.1 | -179.7 | 0 | 0 | 112.2 | K41 I47 S48 Q49 | K41-E45 WeakPolarHBondContact CE-OE1 3.37Å; K41-E45 WeakPolarHBondContact O-CB 3.46Å; K41-E45 WeakPolarHBondContact O-CG 3.42Å; K41-E45 PolarHBondContact O-N 3.19Å; E45-I47 VanDerWaalsContact C-N 3.27Å; E45-I47 PolarHBondContact O-N 3.37Å; E45-S48 PolarHBondContact O-N 3.48Å; E45-Q49 PolarHBondContact O-N 2.87Å; E45-Q49 VanDerWaalsContact O-N 3.13Å |
| 46 | R | 50.9 | Low | 49.7 | Very low | 217 Ų | 217 | 124.4 Ų | 124.4 | 82% | 0.819 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66 | -27.4 | 171 | -88 | -173.1 | -169.8 | 172.3 | 4.4 | 113.7 | R42 K43 C44 | R42-R46 PolarHBondContact O-N 2.97Å; K43-R46 PolarHBondContact O-N 3.36Å; C44-R46 VanDerWaalsContact C-N 3.26Å; C44-R46 PolarHBondContact O-N 2.86Å |
| 47 | I | 53.8 | Low | 48.9 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 74% | 0.738 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -89.5 | -29.9 | 179.9 | -59.7 | 166.7 | 0 | 0 | 0 | 110.5 | K43 C44 E45 | K43-I47 WeakPolarHBondContact O-CG1 3.35Å; K43-I47 PolarHBondContact O-N 2.93Å; C44-I47 CarbonylContact O-C 3.59Å; C44-I47 PolarHBondContact O-N 3.47Å; E45-I47 VanDerWaalsContact C-N 3.27Å; E45-I47 PolarHBondContact O-N 3.37Å |
| 48 | S | 48.4 | Very low | 48.2 | Very low | 82 Ų | 82 | 121 Ų | 121 | 57% | 0.573 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -89.1 | -3.1 | 179.6 | 68.7 | 0 | 0 | 0 | 0 | 114.5 | C44 E45 P50 | C44-S48 PolarHBondContact O-N 3.37Å; C44-S48 PolarHBondContact O-OG 3.39Å; E45-S48 PolarHBondContact O-N 3.48Å; S48-P50 WeakPolarHBondContact O-CD 3.34Å |
| 49 | Q | 42.4 | Very low | 47.5 | Very low | 136 Ų | 136 | 120.5 Ų | 120.5 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | trans | -60.3 | 111.2 | 164.2 | -85.5 | -170.1 | -7.4 | 0 | 0 | 108.1 | E45 N51 | E45-Q49 PolarHBondContact O-N 2.87Å; E45-Q49 VanDerWaalsContact O-N 3.13Å; Q49-N51 PolarHBondContact O-N 3.25Å | ||
| 50 | P | 47.4 | Very low | 47.1 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | trans | -79.4 | 59.4 | 174.3 | 28.9 | -16.1 | 0 | 0 | 0 | 107.3 | S48 Y52 | S48-P50 WeakPolarHBondContact O-CD 3.34Å; P50-Y52 PolarHBondContact O-N 3.33Å | ||
| 51 | N | 42.9 | Very low | 46.7 | Very low | 130 Ų | 130 | 122 Ų | 122 | 70% | 0.695 | 62% | 0.621 | S | S | * | * | trans | -79.5 | 56 | 154.3 | -110.1 | -3.9 | 0 | 0 | 0 | 107.3 | Q49 G53 | Q49-N51 PolarHBondContact O-N 3.25Å; N51-G53 PolarHBondContact O-N 3.5Å | ||
| 52 | Y | 43.2 | Very low | 46.6 | Very low | 209 Ų | 209 | 124.7 Ų | 124.7 | 82% | 0.82 | 63% | 0.633 | S | S | * | * | trans | -66.2 | 61.3 | 146.9 | -93.9 | -94.6 | 0 | 0 | 0 | 106.8 | P50 S54 | P50-Y52 PolarHBondContact O-N 3.33Å; Y52-S54 PolarHBondContact O-N 2.95Å | ||
| 53 | G | 38.3 | Very low | 46.2 | Very low | 44 Ų | 44 | 123.1 Ų | 123.1 | 45% | 0.454 | 63% | 0.631 | S | S | . | * | trans | -65.5 | 87.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 104.6 | N51 F55 | N51-G53 PolarHBondContact O-N 3.5Å; G53-F55 WeakPolarHBondContact O-CA 3.34Å; G53-F55 WeakPolarHBondContact O-CD2 3.18Å; G53-F55 PolarHBondContact O-N 3.05Å | ||
| 54 | S | 43.8 | Very low | 46 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | trans | 12.9 | 71.7 | 167.1 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | Y52 Q56 | Y52-S54 PolarHBondContact O-N 2.95Å; S54-Q56 PolarHBondContact O-N 2.61Å | ||
| 55 | F | 42 | Very low | 45.6 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 74% | 0.737 | 64% | 0.642 | S | S | * | * | trans | -68 | 97.2 | -179.8 | -97.4 | -89 | 0 | 0 | 0 | 104.7 | G53 C57 | G53-F55 WeakPolarHBondContact O-CA 3.34Å; G53-F55 WeakPolarHBondContact O-CD2 3.18Å; G53-F55 PolarHBondContact O-N 3.05Å; F55-C57 VanDerWaalsContact C-N 3.25Å; F55-C57 PolarHBondContact O-N 2.77Å | ||
| 56 | Q | 38.2 | Very low | 45.5 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 58% | 0.584 | 64% | 0.64 | S | S | * | * | trans | -48.8 | 92.4 | 176.7 | -74.6 | 172.5 | -13.6 | 0 | 0 | 107.8 | S54 S58 T59 | S54-Q56 PolarHBondContact O-N 2.61Å; Q56-S58 PolarHBondContact O-N 3.38Å; Q56-T59 PolarHBondContact O-N 2.88Å; Q56-T59 PolarHBondContact OE1-OG1 3.48Å; Q56-T59 VanDerWaalsContact OE1-OG1 3.1Å | ||
| 57 | C | 44.3 | Very low | 45.4 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 73% | 0.73 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -53.5 | -24.9 | 172.9 | -168.1 | 0 | 0 | 0 | 0 | 110.3 | F55 H61 | F55-C57 VanDerWaalsContact C-N 3.25Å; F55-C57 PolarHBondContact O-N 2.77Å; C57-H61 PolarHBondContact O-N 2.99Å |
| 58 | S | 48.5 | Very low | 44.8 | Very low | 75 Ų | 75 | 118.4 Ų | 118.4 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.8 | -33.1 | 173.3 | 49.6 | 0 | 0 | 0 | 0 | 114.8 | Q56 K62 | Q56-S58 PolarHBondContact O-N 3.38Å; S58-K62 PolarHBondContact O-N 3.12Å |
| 59 | T | 43.5 | Very low | 44.8 | Very low | 76 Ų | 76 | 122 Ų | 122 | 47% | 0.466 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -77.9 | -36.8 | -176.2 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | Q56 H61 K62 K63 | Q56-T59 PolarHBondContact O-N 2.88Å; Q56-T59 PolarHBondContact OE1-OG1 3.48Å; Q56-T59 VanDerWaalsContact OE1-OG1 3.1Å; T59-H61 VanDerWaalsContact C-N 3.32Å; T59-H61 PolarHBondContact O-N 2.94Å; T59-K62 PolarHBondContact O-N 2.97Å; T59-K63 PolarHBondContact O-N 3.49Å |
| 60 | I | 46.1 | Very low | 44.9 | Very low | 106 Ų | 106 | 123 Ų | 123 | 54% | 0.544 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.2 | -38.6 | 175 | -61.4 | 176.3 | 0 | 0 | 0 | 110.2 | K62 K63 L64 | I60-K62 PolarHBondContact O-N 3Å; I60-K63 PolarHBondContact O-N 3.43Å; I60-L64 HydrophobicContact CG2-CD1 3.95Å; I60-L64 WeakPolarHBondContact O-CB 3.35Å; I60-L64 PolarHBondContact O-N 3.5Å |
| 61 | H | 45.3 | Very low | 44.6 | Very low | 144 Ų | 144 | 119.5 Ų | 119.5 | 67% | 0.667 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.9 | -39.8 | 179.1 | -147.8 | 67.3 | 0 | 0 | 0 | 112.5 | C57 T59 K65 | C57-H61 PolarHBondContact O-N 2.99Å; T59-H61 VanDerWaalsContact C-N 3.32Å; T59-H61 PolarHBondContact O-N 2.94Å; H61-K65 PolarHBondContact O-N 3.19Å |
| 62 | K | 48.1 | Very low | 44.7 | Very low | 171 Ų | 171 | 121.7 Ų | 121.7 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.1 | -38.6 | 173.2 | -77.2 | -173.5 | 177.6 | -178 | 0 | 112.6 | S58 T59 I60 K65 S66 | S58-K62 PolarHBondContact O-N 3.12Å; T59-K62 PolarHBondContact O-N 2.97Å; I60-K62 PolarHBondContact O-N 3Å; K62-K65 PolarHBondContact O-N 3.24Å; K62-S66 PolarHBondContact O-N 2.96Å |
| 63 | K | 46.9 | Very low | 44.8 | Very low | 144 Ų | 144 | 120 Ų | 120 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.1 | -36.2 | 179.5 | -150 | 178.2 | -173 | -179.4 | 0 | 112.3 | T59 I60 S66 I67 | T59-K63 PolarHBondContact O-N 3.49Å; I60-K63 PolarHBondContact O-N 3.43Å; K63-S66 PolarHBondContact O-N 3.26Å; K63-I67 HydrophobicContact CG-CD1 4.17Å; K63-I67 WeakPolarHBondContact O-CD1 3.4Å; K63-I67 VanDerWaalsContact O-CG1 3.22Å; K63-I67 WeakPolarHBondContact O-CG1 3.29Å; K63-I67 PolarHBondContact O-N 3.15Å |
| 64 | L | 48.7 | Very low | 44.9 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.8 | -39.4 | 173.3 | -93.1 | 158.8 | 0 | 0 | 0 | 112.2 | I60 S66 I67 N68 | I60-L64 HydrophobicContact CG2-CD1 3.95Å; I60-L64 WeakPolarHBondContact O-CB 3.35Å; I60-L64 PolarHBondContact O-N 3.5Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.48Å; L64-I67 PolarHBondContact O-N 3.08Å; L64-N68 PolarHBondContact O-N 2.81Å |
| 65 | K | 43.3 | Very low | 44.9 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65 | -39.3 | 177 | -150.1 | 176.5 | -175.6 | -176.1 | 0 | 111.9 | H61 K62 E69 | H61-K65 PolarHBondContact O-N 3.19Å; K62-K65 PolarHBondContact O-N 3.24Å; K65-E69 PolarHBondContact O-N 3.44Å |
| 66 | S | 48.9 | Very low | 45.2 | Very low | 61 Ų | 61 | 125.9 Ų | 125.9 | 43% | 0.427 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -68.9 | -37.1 | 174.6 | 146.2 | 0 | 0 | 0 | 0 | 113.2 | K62 K63 L64 N68 E69 Q70 | K62-S66 PolarHBondContact O-N 2.96Å; K63-S66 PolarHBondContact O-N 3.26Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.48Å; S66-N68 VanDerWaalsContact C-N 3.34Å; S66-E69 PolarHBondContact O-N 3.3Å; S66-Q70 PolarHBondContact O-N 3.08Å |
| 67 | I | 49.6 | Very low | 45.8 | Very low | 97 Ų | 97 | 129 Ų | 129 | 50% | 0.497 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71.5 | -32.6 | 179.4 | -67.6 | 164.7 | 0 | 0 | 0 | 111 | K63 L64 E69 Q70 G71 | K63-I67 HydrophobicContact CG-CD1 4.17Å; K63-I67 WeakPolarHBondContact O-CD1 3.4Å; K63-I67 VanDerWaalsContact O-CG1 3.22Å; K63-I67 WeakPolarHBondContact O-CG1 3.29Å; K63-I67 PolarHBondContact O-N 3.15Å; L64-I67 PolarHBondContact O-N 3.08Å; I67-E69 VanDerWaalsContact C-N 3.31Å; I67-E69 PolarHBondContact O-N 3.37Å; I67-Q70 PolarHBondContact O-N 2.85Å; I67-G71 PolarHBondContact O-N 3.3Å |
| 68 | N | 41.1 | Very low | 46 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.9 | -29.7 | 178.9 | -148 | 32 | 0 | 0 | 0 | 112.5 | L64 S66 | L64-N68 PolarHBondContact O-N 2.81Å; S66-N68 VanDerWaalsContact C-N 3.34Å |
| 69 | E | 49.1 | Very low | 45.9 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -78.4 | -29.1 | 173.5 | -72.9 | 176.7 | 175.6 | 0 | 0 | 112.6 | K65 S66 I67 | K65-E69 PolarHBondContact O-N 3.44Å; S66-E69 PolarHBondContact O-N 3.3Å; I67-E69 VanDerWaalsContact C-N 3.31Å; I67-E69 PolarHBondContact O-N 3.37Å |
| 70 | Q | 45.1 | Very low | 46.3 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 72% | 0.724 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -87.5 | -14.3 | 176.7 | -117.6 | 176.7 | -8.5 | 0 | 0 | 114.1 | S66 I67 Q72 | S66-Q70 PolarHBondContact O-N 3.08Å; I67-Q70 PolarHBondContact O-N 2.85Å; Q70-Q72 PolarHBondContact O-N 3.04Å |
| 71 | G | 40.1 | Very low | 46.6 | Very low | 40 Ų | 40 | 137.8 Ų | 137.8 | 41% | 0.412 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -75.1 | -17.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I67 Q73 | I67-G71 PolarHBondContact O-N 3.3Å; G71-Q73 PolarHBondContact O-N 3.33Å; G71-Q73 VanDerWaalsContact O-N 3.14Å |
| 72 | Q | 45 | Very low | 47 | Very low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -73.4 | -0.1 | -177.7 | -109.8 | -179.8 | -1.2 | 0 | 0 | 115 | Q70 | Q70-Q72 PolarHBondContact O-N 3.04Š|
| 73 | Q | 45.6 | Very low | 47.1 | Very low | 175 Ų | 175 | 133 Ų | 133 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -117.1 | 2.9 | -176.6 | -95.3 | -171.8 | -14.6 | 0 | 0 | 116.3 | G71 | G71-Q73 PolarHBondContact O-N 3.33Å; G71-Q73 VanDerWaalsContact O-N 3.14Å |
| 74 | N | 39.1 | Very low | 47.4 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 77% | 0.765 | 66% | 0.657 | S | S | * | * | trans | -142.4 | 61.7 | -179 | -80.1 | -49.7 | 0 | 0 | 0 | 112.9 | ||||
| 75 | D | 43.8 | Very low | 47.6 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | -82.5 | -15.9 | -167.9 | -111.2 | -31.5 | 0 | 0 | 0 | 116.9 | ||||
| 76 | D | 50.1 | Low | 48 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 87% | 0.872 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -101.8 | -4 | -163.3 | -78.2 | -36.9 | 0 | 0 | 0 | 118.6 | ||
| 77 | K | 50.5 | Low | 48.1 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -124.7 | -13.9 | -176.8 | -75.6 | -176 | -179.7 | 174.4 | 0 | 117 | ||
| 78 | K | 47.4 | Very low | 48.2 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -89.3 | -27.3 | -174.7 | -143.9 | 174 | -176.2 | 179.6 | 0 | 114 | K80 H81 | K78-K80 PolarHBondContact O-N 3.45Å; K78-H81 PolarHBondContact O-N 3.14Å |
| 79 | G | 47.5 | Very low | 48.5 | Very low | 55 Ų | 55 | 135.1 Ų | 135.1 | 57% | 0.567 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -59.9 | -30.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | H81 W83 | G79-H81 PolarHBondContact O-N 3.35Å; G79-W83 VanDerWaalsContact O-CD1 3.3Å |
| 80 | K | 50.5 | Low | 48.6 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 70% | 0.704 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.2 | -18.7 | -173 | -135.7 | 174.4 | -169.1 | 175.1 | 0 | 114.9 | K78 W83 | K78-K80 PolarHBondContact O-N 3.45Å; K80-W83 VanDerWaalsContact C-CD1 3.44Å; K80-W83 VanDerWaalsContact CA-CD1 3.43Å; K80-W83 PolarHBondContact O-NE1 3.39Å |
| 81 | H | 54.1 | Low | 49.1 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 69% | 0.69 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -90.2 | -31.2 | 176.5 | -88.4 | -79.7 | 0 | 0 | 0 | 112.6 | K78 G79 Q85 | K78-H81 PolarHBondContact O-N 3.14Å; G79-H81 PolarHBondContact O-N 3.35Å; H81-Q85 PolarHBondContact O-N 3.29Å |
| 82 | D | 52.1 | Low | 49.8 | Very low | 106 Ų | 106 | 133 Ų | 133 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.5 | -39.9 | -175.5 | -163.4 | 43.5 | 0 | 0 | 0 | 112.6 | K84 Q85 K86 | D82-K84 VanDerWaalsContact C-N 3.32Å; D82-K84 PolarHBondContact O-N 3.46Å; D82-Q85 PolarHBondContact O-N 3.41Å; D82-K86 PolarHBondContact O-N 2.96Å |
| 83 | W | 51.8 | Low | 50.4 | Low | 109 Ų | 109 | 129 Ų | 129 | 41% | 0.413 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.1 | -35.7 | 177.9 | 74.5 | -90.2 | 0 | 0 | 0 | 112.9 | G79 K80 K86 Q87 | G79-W83 VanDerWaalsContact O-CD1 3.3Å; K80-W83 VanDerWaalsContact C-CD1 3.44Å; K80-W83 VanDerWaalsContact CA-CD1 3.43Å; K80-W83 PolarHBondContact O-NE1 3.39Å; W83-K86 PolarHBondContact O-N 3.43Å; W83-Q87 HydrophobicContact CE3-CG 4.36Å; W83-Q87 WeakPolarHBondContact O-CG 3.16Å; W83-Q87 PolarHBondContact O-N 3.47Å |
| 84 | K | 52.3 | Low | 51.1 | Low | 116 Ų | 116 | 125.6 Ų | 125.6 | 50% | 0.504 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.9 | -43.2 | 177.4 | -78.4 | -168.3 | 176.2 | -175.8 | 0 | 111.2 | D82 Q87 I88 | D82-K84 VanDerWaalsContact C-N 3.32Å; D82-K84 PolarHBondContact O-N 3.46Å; K84-Q87 PolarHBondContact O-N 3.49Å; K84-I88 VanDerWaalsContact O-CG1 3.3Å; K84-I88 WeakPolarHBondContact O-CG1 3.46Å; K84-I88 PolarHBondContact O-N 3.14Å |
| 85 | Q | 52.4 | Low | 52.5 | Low | 136 Ų | 136 | 126.5 Ų | 126.5 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.7 | -41.6 | 175.6 | -85.7 | -175.2 | -20.4 | 0 | 0 | 111.7 | H81 D82 Q87 I88 L89 | H81-Q85 PolarHBondContact O-N 3.29Å; D82-Q85 PolarHBondContact O-N 3.41Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3.26Å; Q85-I88 PolarHBondContact O-N 3.25Å; Q85-L89 PolarHBondContact O-N 3.34Å |
| 86 | K | 51.2 | Low | 53.5 | Low | 159 Ų | 159 | 125 Ų | 125 | 69% | 0.691 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.3 | -38.6 | 177.2 | -159.9 | 172.3 | -170.2 | 177.8 | 0 | 112.4 | D82 W83 H90 | D82-K86 PolarHBondContact O-N 2.96Å; W83-K86 PolarHBondContact O-N 3.43Å; K86-H90 WeakPolarHBondContact O-CB 3.5Å; K86-H90 PolarHBondContact O-N 3.45Å; K86-H90 VanDerWaalsContact O-N 3.09Å |
| 87 | Q | 51.5 | Low | 54.3 | Low | 107 Ų | 107 | 123.2 Ų | 123.2 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.3 | -40.3 | 174.8 | -75.1 | -172.8 | 4.2 | 0 | 0 | 113.1 | W83 K84 Q85 H90 K91 | W83-Q87 HydrophobicContact CE3-CG 4.36Å; W83-Q87 WeakPolarHBondContact O-CG 3.16Å; W83-Q87 PolarHBondContact O-N 3.47Å; K84-Q87 PolarHBondContact O-N 3.49Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 3.26Å; Q87-H90 PolarHBondContact O-N 3.13Å; Q87-K91 PolarHBondContact O-N 2.96Å |
| 88 | I | 52.5 | Low | 55.3 | Low | 109 Ų | 109 | 118.8 Ų | 118.8 | 56% | 0.559 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.3 | -46.1 | 177.8 | -67.2 | 165.2 | 0 | 0 | 0 | 109.9 | K84 Q85 H90 K91 S92 | K84-I88 VanDerWaalsContact O-CG1 3.3Å; K84-I88 WeakPolarHBondContact O-CG1 3.46Å; K84-I88 PolarHBondContact O-N 3.14Å; Q85-I88 PolarHBondContact O-N 3.25Å; I88-H90 VanDerWaalsContact C-N 3.34Å; I88-H90 PolarHBondContact O-N 3.45Å; I88-K91 PolarHBondContact O-N 3.28Å; I88-S92 PolarHBondContact O-N 3.13Å; I88-S92 PolarHBondContact O-OG 2.98Å |
| 89 | L | 47.8 | Very low | 56.6 | Low | 116 Ų | 116 | 114.2 Ų | 114.2 | 61% | 0.607 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.9 | -42.2 | 178.7 | -170.6 | 66.7 | 0 | 0 | 0 | 111.9 | Q85 S92 N93 | Q85-L89 PolarHBondContact O-N 3.34Å; L89-S92 PolarHBondContact O-N 3.5Å; L89-N93 PolarHBondContact O-N 3.43Å; L89-N93 VanDerWaalsContact O-N 3.13Å |
| 90 | H | 50.7 | Low | 57.8 | Low | 118 Ų | 118 | 115.7 Ų | 115.7 | 55% | 0.546 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.2 | -40.2 | 178.1 | -164.7 | -84.6 | 0 | 0 | 0 | 112.4 | K86 Q87 I88 N93 Q94 | K86-H90 WeakPolarHBondContact O-CB 3.5Å; K86-H90 PolarHBondContact O-N 3.45Å; K86-H90 VanDerWaalsContact O-N 3.09Å; Q87-H90 PolarHBondContact O-N 3.13Å; I88-H90 VanDerWaalsContact C-N 3.34Å; I88-H90 PolarHBondContact O-N 3.45Å; H90-N93 PolarHBondContact O-N 3.42Å; H90-Q94 PolarHBondContact O-N 2.99Å |
| 91 | K | 54.4 | Low | 58.8 | Low | 126 Ų | 126 | 109.5 Ų | 109.5 | 55% | 0.548 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 175.3 | -78.9 | -174.3 | 178.3 | -176.7 | 0 | 111.7 | Q87 I88 N93 Q94 Y95 | Q87-K91 PolarHBondContact O-N 2.96Å; I88-K91 PolarHBondContact O-N 3.28Å; K91-N93 VanDerWaalsContact C-N 3.28Å; K91-N93 PolarHBondContact O-N 3.09Å; K91-Q94 PolarHBondContact O-N 3.25Å; K91-Q94 VanDerWaalsContact O-N 3.14Å; K91-Y95 WeakPolarHBondContact O-CD2 3.44Å; K91-Y95 PolarHBondContact O-N 3.05Å |
| 92 | S | 55.6 | Low | 60 | Low | 66 Ų | 66 | 107.8 Ų | 107.8 | 46% | 0.462 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 178.3 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | I88 L89 Q94 Y95 L96 | I88-S92 PolarHBondContact O-N 3.13Å; I88-S92 PolarHBondContact O-OG 2.98Å; L89-S92 PolarHBondContact O-N 3.5Å; S92-Q94 PolarHBondContact O-N 2.86Å; S92-Y95 PolarHBondContact O-N 3.29Å; S92-L96 PolarHBondContact O-N 2.83Å; S92-L96 VanDerWaalsContact O-N 3.14Å |
| 93 | N | 57.3 | Low | 61.2 | Low | 89 Ų | 89 | 109.5 Ų | 109.5 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 176.4 | -76.9 | -5 | 0 | 0 | 0 | 112.9 | L89 H90 K91 L96 L97 | L89-N93 PolarHBondContact O-N 3.43Å; L89-N93 VanDerWaalsContact O-N 3.13Å; H90-N93 PolarHBondContact O-N 3.42Å; K91-N93 VanDerWaalsContact C-N 3.28Å; K91-N93 PolarHBondContact O-N 3.09Å; N93-L96 PolarHBondContact O-N 3.01Å; N93-L97 WeakPolarHBondContact O-CG 3.31Å; N93-L97 PolarHBondContact O-N 3.37Å |
| 94 | Q | 60.4 | Low | 62.1 | Low | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 177.3 | -73.9 | -175.5 | -44.6 | 0 | 0 | 112 | H90 K91 S92 L96 L97 I98 | H90-Q94 PolarHBondContact O-N 2.99Å; K91-Q94 PolarHBondContact O-N 3.25Å; K91-Q94 VanDerWaalsContact O-N 3.14Å; S92-Q94 PolarHBondContact O-N 2.86Å; Q94-L96 VanDerWaalsContact C-N 3.32Å; Q94-L96 PolarHBondContact O-N 3.41Å; Q94-L97 PolarHBondContact O-N 3.43Å; Q94-I98 VanDerWaalsContact O-CG1 3.31Å; Q94-I98 WeakPolarHBondContact O-CG1 3.44Å; Q94-I98 PolarHBondContact O-N 2.97Å; Q94-I98 VanDerWaalsContact O-N 3.08Å |
| 95 | Y | 67.7 | Low | 63.3 | Low | 162 Ų | 162 | 105.1 Ų | 105.1 | 64% | 0.635 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 176.4 | -69.8 | -70.4 | 0 | 0 | 0 | 112.1 | K91 S92 L97 I98 T99 | K91-Y95 WeakPolarHBondContact O-CD2 3.44Å; K91-Y95 PolarHBondContact O-N 3.05Å; S92-Y95 PolarHBondContact O-N 3.29Å; Y95-L97 VanDerWaalsContact C-N 3.35Å; Y95-L97 PolarHBondContact O-N 3.05Å; Y95-I98 PolarHBondContact O-N 2.78Å; Y95-T99 WeakPolarHBondContact O-CG2 3.48Å; Y95-T99 PolarHBondContact O-N 3.29Å; Y95-T99 PolarHBondContact O-OG1 3.39Å |
| 96 | L | 65.4 | Low | 64.4 | Low | 100 Ų | 100 | 105.2 Ų | 105.2 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 178.2 | -169.1 | 139.4 | 0 | 0 | 0 | 112.3 | S92 N93 Q94 T99 I100 | S92-L96 PolarHBondContact O-N 2.83Å; S92-L96 VanDerWaalsContact O-N 3.14Å; N93-L96 PolarHBondContact O-N 3.01Å; Q94-L96 VanDerWaalsContact C-N 3.32Å; Q94-L96 PolarHBondContact O-N 3.41Å; L96-T99 WeakPolarHBondContact CA-OG1 3.12Å; L96-T99 PolarHBondContact O-OG1 3.43Å; L96-I100 HydrophobicContact CD2-CD1 3.54Å; L96-I100 HydrophobicContact CG-CD1 4.34Å; L96-I100 WeakPolarHBondContact O-CD1 3.48Å; L96-I100 VanDerWaalsContact O-CG1 3.23Å; L96-I100 WeakPolarHBondContact O-CG1 3.42Å; L96-I100 PolarHBondContact O-N 2.78Å; L96-I100 VanDerWaalsContact O-N 3.12Å |
| 97 | L | 66.8 | Low | 65.5 | Low | 124 Ų | 124 | 104.7 Ų | 104.7 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.2 | -38.5 | 174 | -71.2 | 171.8 | 0 | 0 | 0 | 112.2 | N93 Q94 Y95 G101 | N93-L97 WeakPolarHBondContact O-CG 3.31Å; N93-L97 PolarHBondContact O-N 3.37Å; Q94-L97 PolarHBondContact O-N 3.43Å; Y95-L97 VanDerWaalsContact C-N 3.35Å; Y95-L97 PolarHBondContact O-N 3.05Å; L97-G101 PolarHBondContact O-N 2.75Å |
| 98 | I | 72.6 | Confident | 66.5 | Low | 98 Ų | 98 | 104.2 Ų | 104.2 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -45.4 | 177.1 | -66.8 | 165.3 | 0 | 0 | 0 | 110.5 | Q94 Y95 I100 G101 I102 | Q94-I98 VanDerWaalsContact O-CG1 3.31Å; Q94-I98 WeakPolarHBondContact O-CG1 3.44Å; Q94-I98 PolarHBondContact O-N 2.97Å; Q94-I98 VanDerWaalsContact O-N 3.08Å; Y95-I98 PolarHBondContact O-N 2.78Å; I98-I100 PolarHBondContact O-N 2.81Å; I98-G101 PolarHBondContact O-N 3.18Å; I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.42Å; I98-I102 WeakPolarHBondContact O-CG1 3.23Å; I98-I102 PolarHBondContact O-N 2.73Å |
| 99 | T | 73.3 | Confident | 67.4 | Low | 86 Ų | 86 | 104.2 Ų | 104.2 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 179.7 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | Y95 L96 G101 I102 F103 | Y95-T99 WeakPolarHBondContact O-CG2 3.48Å; Y95-T99 PolarHBondContact O-N 3.29Å; Y95-T99 PolarHBondContact O-OG1 3.39Å; L96-T99 WeakPolarHBondContact CA-OG1 3.12Å; L96-T99 PolarHBondContact O-OG1 3.43Å; T99-G101 VanDerWaalsContact C-N 3.34Å; T99-G101 PolarHBondContact O-N 3.37Å; T99-I102 PolarHBondContact O-N 3.34Å; T99-F103 WeakPolarHBondContact O-CB 3.38Å; T99-F103 PolarHBondContact O-N 2.91Å |
| 100 | I | 72.8 | Confident | 68.7 | Low | 87 Ų | 87 | 104.6 Ų | 104.6 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 172.8 | -67.8 | 168.9 | 0 | 0 | 0 | 110.9 | L96 I98 F103 C104 | L96-I100 HydrophobicContact CD2-CD1 3.54Å; L96-I100 HydrophobicContact CG-CD1 4.34Å; L96-I100 WeakPolarHBondContact O-CD1 3.48Å; L96-I100 VanDerWaalsContact O-CG1 3.23Å; L96-I100 WeakPolarHBondContact O-CG1 3.42Å; L96-I100 PolarHBondContact O-N 2.78Å; L96-I100 VanDerWaalsContact O-N 3.12Å; I98-I100 PolarHBondContact O-N 2.81Å; I100-F103 PolarHBondContact O-N 3.38Å; I100-C104 WeakPolarHBondContact O-CB 3.42Å; I100-C104 PolarHBondContact O-N 3.5Å; I100-C104 PolarHBondContact O-SG 3.19Å; I100-C104 VanDerWaalsContact O-SG 3.38Å |
| 101 | G | 72.4 | Confident | 69.5 | Low | 32 Ų | 32 | 107.9 Ų | 107.9 | 33% | 0.33 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L97 I98 T99 C104 S105 | L97-G101 PolarHBondContact O-N 2.75Å; I98-G101 PolarHBondContact O-N 3.18Å; T99-G101 VanDerWaalsContact C-N 3.34Å; T99-G101 PolarHBondContact O-N 3.37Å; G101-C104 PolarHBondContact O-N 3.45Å; G101-S105 WeakPolarHBondContact O-CB 3.08Å; G101-S105 PolarHBondContact O-N 3.49Å; G101-S105 PolarHBondContact O-OG 3.26Å |
| 102 | I | 78.9 | Confident | 70 | Confident | 113 Ų | 113 | 110.4 Ų | 110.4 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 176.1 | -66.4 | 167.3 | 0 | 0 | 0 | 110.3 | I98 T99 C104 S105 Y106 | I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.42Å; I98-I102 WeakPolarHBondContact O-CG1 3.23Å; I98-I102 PolarHBondContact O-N 2.73Å; T99-I102 PolarHBondContact O-N 3.34Å; I102-C104 PolarHBondContact O-N 2.73Å; I102-S105 PolarHBondContact O-N 3.03Å; I102-Y106 WeakPolarHBondContact O-CB 3.45Å; I102-Y106 PolarHBondContact O-N 2.9Å |
| 103 | F | 77 | Confident | 70.5 | Confident | 142 Ų | 142 | 112.8 Ų | 112.8 | 62% | 0.623 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.4 | -43.1 | 179.6 | -169.2 | -96.3 | 0 | 0 | 0 | 112.3 | T99 I100 S105 Y106 Y107 | T99-F103 WeakPolarHBondContact O-CB 3.38Å; T99-F103 PolarHBondContact O-N 2.91Å; I100-F103 PolarHBondContact O-N 3.38Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-S105 PolarHBondContact O-N 3.1Å; F103-Y106 PolarHBondContact O-N 3.22Å; F103-Y107 WeakPolarHBondContact O-CB 3.3Å; F103-Y107 PolarHBondContact O-N 3.05Å |
| 104 | C | 72.1 | Confident | 70.1 | Confident | 66 Ų | 66 | 120.1 Ų | 120.1 | 45% | 0.446 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.6 | -42.4 | 174.5 | -77.1 | 0 | 0 | 0 | 0 | 111.9 | I100 G101 I102 Y107 L108 | I100-C104 WeakPolarHBondContact O-CB 3.42Å; I100-C104 PolarHBondContact O-N 3.5Å; I100-C104 PolarHBondContact O-SG 3.19Å; I100-C104 VanDerWaalsContact O-SG 3.38Å; G101-C104 PolarHBondContact O-N 3.45Å; I102-C104 PolarHBondContact O-N 2.73Å; C104-Y107 PolarHBondContact O-N 3.02Å; C104-L108 WeakPolarHBondContact O-CB 3.42Å; C104-L108 VanDerWaalsContact O-CG 3.29Å; C104-L108 WeakPolarHBondContact O-CG 3.48Å; C104-L108 PolarHBondContact O-N 3.34Å |
| 105 | S | 76.6 | Confident | 70.6 | Confident | 66 Ų | 66 | 120.9 Ų | 120.9 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65 | -44.6 | 178.6 | -55.7 | 0 | 0 | 0 | 0 | 111 | G101 I102 F103 L108 I109 | G101-S105 WeakPolarHBondContact O-CB 3.08Å; G101-S105 PolarHBondContact O-N 3.49Å; G101-S105 PolarHBondContact O-OG 3.26Å; I102-S105 PolarHBondContact O-N 3.03Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-S105 PolarHBondContact O-N 3.1Å; S105-L108 PolarHBondContact O-N 2.94Å; S105-I109 VanDerWaalsContact O-CG1 3.27Å; S105-I109 WeakPolarHBondContact O-CG1 3.43Å; S105-I109 PolarHBondContact O-N 3.36Å |
| 106 | Y | 76 | Confident | 70.8 | Confident | 139 Ų | 139 | 118.7 Ų | 118.7 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61 | -44.8 | 174.6 | 176.7 | -96.8 | 0 | 0 | 0 | 112.1 | I102 F103 L108 I109 K110 | I102-Y106 WeakPolarHBondContact O-CB 3.45Å; I102-Y106 PolarHBondContact O-N 2.9Å; F103-Y106 PolarHBondContact O-N 3.22Å; Y106-L108 PolarHBondContact O-N 3.49Å; Y106-I109 PolarHBondContact O-N 3.32Å; Y106-K110 HydrophobicContact CE1-CD 3.95Å; Y106-K110 VanDerWaalsContact O-CB 3.31Å; Y106-K110 WeakPolarHBondContact O-CB 3.48Å; Y106-K110 PolarHBondContact O-N 3.46Å |
| 107 | Y | 73.7 | Confident | 71.1 | Confident | 147 Ų | 147 | 119.8 Ų | 119.8 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.5 | -40.6 | 178.7 | -170.6 | -94.2 | 0 | 0 | 0 | 112.1 | F103 C104 R111 | F103-Y107 WeakPolarHBondContact O-CB 3.3Å; F103-Y107 PolarHBondContact O-N 3.05Å; C104-Y107 PolarHBondContact O-N 3.02Å; Y107-R111 PolarHBondContact O-N 3.14Å; Y107-R111 VanDerWaalsContact O-N 3.07Å |
| 108 | L | 71.8 | Confident | 71.3 | Confident | 97 Ų | 97 | 119.5 Ų | 119.5 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.4 | -49 | 174.8 | -74 | 171.5 | 0 | 0 | 0 | 111.3 | C104 S105 Y106 K110 R111 F112 | C104-L108 WeakPolarHBondContact O-CB 3.42Å; C104-L108 VanDerWaalsContact O-CG 3.29Å; C104-L108 WeakPolarHBondContact O-CG 3.48Å; C104-L108 PolarHBondContact O-N 3.34Å; S105-L108 PolarHBondContact O-N 2.94Å; Y106-L108 PolarHBondContact O-N 3.49Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 2.88Å; L108-R111 WeakPolarHBondContact O-CB 3.49Å; L108-R111 PolarHBondContact O-N 3.19Å; L108-R111 VanDerWaalsContact O-N 3.15Å; L108-F112 VanDerWaalsContact O-CD2 3.26Å; L108-F112 WeakPolarHBondContact O-CD2 3.22Å; L108-F112 PolarHBondContact O-N 3.48Å |
| 109 | I | 72.5 | Confident | 71.3 | Confident | 110 Ų | 110 | 120.9 Ų | 120.9 | 56% | 0.564 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58 | -49.5 | 177.6 | -66.9 | 164.9 | 0 | 0 | 0 | 109.9 | S105 Y106 R111 F112 T113 | S105-I109 VanDerWaalsContact O-CG1 3.27Å; S105-I109 WeakPolarHBondContact O-CG1 3.43Å; S105-I109 PolarHBondContact O-N 3.36Å; Y106-I109 PolarHBondContact O-N 3.32Å; I109-R111 PolarHBondContact O-N 3.42Å; I109-R111 VanDerWaalsContact O-N 3.16Å; I109-F112 PolarHBondContact O-N 3.22Å; I109-T113 PolarHBondContact O-N 3.48Å; I109-T113 PolarHBondContact O-OG1 3.48Å |
| 110 | K | 74.4 | Confident | 71.1 | Confident | 124 Ų | 124 | 123.2 Ų | 123.2 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.4 | -31.4 | 179.6 | -171 | 173 | -175.5 | 170.9 | 0 | 113.2 | Y106 L108 | Y106-K110 HydrophobicContact CE1-CD 3.95Å; Y106-K110 VanDerWaalsContact O-CB 3.31Å; Y106-K110 WeakPolarHBondContact O-CB 3.48Å; Y106-K110 PolarHBondContact O-N 3.46Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 2.88Å |
| 111 | R | 68.1 | Low | 71 | Confident | 186 Ų | 186 | 125.8 Ų | 125.8 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.9 | -29.9 | 175.4 | -169.7 | -179.8 | -179.6 | -177.2 | 1.1 | 112.8 | Y107 L108 I109 | Y107-R111 PolarHBondContact O-N 3.14Å; Y107-R111 VanDerWaalsContact O-N 3.07Å; L108-R111 WeakPolarHBondContact O-CB 3.49Å; L108-R111 PolarHBondContact O-N 3.19Å; L108-R111 VanDerWaalsContact O-N 3.15Å; I109-R111 PolarHBondContact O-N 3.42Å; I109-R111 VanDerWaalsContact O-N 3.16Å |
| 112 | F | 65.1 | Low | 70.9 | Confident | 179 Ų | 179 | 133 Ų | 133 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -87 | -22.7 | 177.4 | -78.5 | -75.7 | 0 | 0 | 0 | 113.3 | L108 I109 K114 | L108-F112 VanDerWaalsContact O-CD2 3.26Å; L108-F112 WeakPolarHBondContact O-CD2 3.22Å; L108-F112 PolarHBondContact O-N 3.48Å; I109-F112 PolarHBondContact O-N 3.22Å; F112-K114 VanDerWaalsContact C-N 3.3Å |
| 113 | T | 65.3 | Low | 70.2 | Confident | 117 Ų | 117 | 134.7 Ų | 134.7 | 72% | 0.718 | 63% | 0.627 | S | S | * | * | trans | -82.8 | -2.5 | 176.7 | -30 | 0 | 0 | 0 | 0 | 113.7 | I109 | I109-T113 PolarHBondContact O-N 3.48Å; I109-T113 PolarHBondContact O-OG1 3.48Å | ||
| 114 | K | 50.1 | Low | 69.6 | Low | 243 Ų | 243 | 134 Ų | 134 | 100% | 1.057 | 63% | 0.627 | S | S | * | * | trans | -119.4 | 0 | 179.8 | -161.1 | -176.9 | -174.1 | -173.7 | 0 | 110.7 | F112 | F112-K114 VanDerWaalsContact C-N 3.3Š|
Retrieved 114 of 114 residues in 87.7 ms
(Link to these results)