| 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 | 56.2 | Low | 67.9 | Low | 216 Ų | 216 | 108.3 Ų | 108.3 | 100% | 1.064 | 58% | 0.578 | S | S | * | * | 0 | -14.5 | 0 | -160.1 | 176.5 | -83.8 | 0 | 0 | 111.9 | N5 | M1-N5 PolarHBondContact O-ND2 2.92Š| |||
| 2 | E | 70.9 | Confident | 68.3 | Low | 157 Ų | 157 | 102.8 Ų | 102.8 | 73% | 0.734 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.5 | -44.3 | 178.9 | -85.5 | 169.7 | 137.6 | 0 | 0 | 114.9 | A4 N5 I6 | E2-A4 VanDerWaalsContact C-N 3.33Å; E2-A4 PolarHBondContact O-N 2.71Å; E2-N5 WeakPolarHBondContact O-CB 3.28Å; E2-N5 PolarHBondContact O-N 2.78Å; E2-I6 PolarHBondContact O-N 2.74Å |
| 3 | I | 59.4 | Low | 68.7 | Low | 88 Ų | 88 | 99.2 Ų | 99.2 | 45% | 0.451 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57.7 | -42 | -172.4 | -63 | 168.3 | 0 | 0 | 0 | 112.8 | N5 I6 S7 E56 | I3-N5 VanDerWaalsContact C-N 3.26Å; I3-N5 PolarHBondContact O-N 3.01Å; I3-I6 PolarHBondContact O-N 3.35Å; I3-S7 PolarHBondContact O-N 2.78Å; I3-E56 WeakPolarHBondContact CG2-OE2 3.45Å |
| 4 | A | 67 | Low | 68.9 | Low | 71 Ų | 71 | 94 Ų | 94 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.4 | -29.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E2 K8 | E2-A4 VanDerWaalsContact C-N 3.33Å; E2-A4 PolarHBondContact O-N 2.71Å; A4-K8 WeakPolarHBondContact O-CB 3.46Å; A4-K8 PolarHBondContact O-N 2.85Å |
| 5 | N | 73.4 | Confident | 69.2 | Low | 91 Ų | 91 | 94.6 Ų | 94.6 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74.3 | -41.8 | 176.6 | -66.2 | -26.2 | 0 | 0 | 0 | 110.5 | M1 E2 I3 S7 K8 D9 | M1-N5 PolarHBondContact O-ND2 2.92Å; E2-N5 WeakPolarHBondContact O-CB 3.28Å; E2-N5 PolarHBondContact O-N 2.78Å; I3-N5 VanDerWaalsContact C-N 3.26Å; I3-N5 PolarHBondContact O-N 3.01Å; N5-S7 VanDerWaalsContact C-N 3.34Å; N5-S7 PolarHBondContact O-N 2.87Å; N5-K8 PolarHBondContact O-N 2.98Å; N5-K8 VanDerWaalsContact O-N 3.14Å; N5-D9 WeakPolarHBondContact O-CB 3.19Å; N5-D9 PolarHBondContact O-N 2.79Å |
| 6 | I | 68.2 | Low | 69.6 | Low | 95 Ų | 95 | 97.9 Ų | 97.9 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 176.9 | -61 | 169.6 | 0 | 0 | 0 | 110.6 | E2 I3 K8 D9 F10 F52 | E2-I6 PolarHBondContact O-N 2.74Å; I3-I6 PolarHBondContact O-N 3.35Å; I6-K8 VanDerWaalsContact C-N 3.31Å; I6-K8 PolarHBondContact O-N 3.39Å; I6-D9 PolarHBondContact O-N 2.95Å; I6-F10 WeakPolarHBondContact O-CB 3.42Å; I6-F10 PolarHBondContact O-N 2.71Å; I6-F52 HydrophobicContact CG2-CZ 4.37Å |
| 7 | S | 66.8 | Low | 69.7 | Low | 57 Ų | 57 | 99.2 Ų | 99.2 | 40% | 0.399 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 176.7 | 178 | 0 | 0 | 0 | 0 | 112.4 | I3 N5 A11 | I3-S7 PolarHBondContact O-N 2.78Å; N5-S7 VanDerWaalsContact C-N 3.34Å; N5-S7 PolarHBondContact O-N 2.87Å; S7-A11 WeakPolarHBondContact O-CB 3.35Å; S7-A11 PolarHBondContact O-N 2.91Å |
| 8 | K | 70 | Confident | 69.8 | Low | 156 Ų | 156 | 95.8 Ų | 95.8 | 68% | 0.678 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.4 | -41.3 | 178.3 | -169.5 | 176.8 | -178.3 | 176.2 | 0 | 112.1 | A4 N5 I6 F10 A11 G12 | A4-K8 WeakPolarHBondContact O-CB 3.46Å; A4-K8 PolarHBondContact O-N 2.85Å; N5-K8 PolarHBondContact O-N 2.98Å; N5-K8 VanDerWaalsContact O-N 3.14Å; I6-K8 VanDerWaalsContact C-N 3.31Å; I6-K8 PolarHBondContact O-N 3.39Å; K8-F10 VanDerWaalsContact C-N 3.34Å; K8-A11 PolarHBondContact O-N 2.83Å; K8-G12 PolarHBondContact O-N 3.34Å |
| 9 | D | 74.2 | Confident | 70.1 | Confident | 115 Ų | 115 | 97.2 Ų | 97.2 | 62% | 0.615 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | 177.3 | -67.2 | -15.8 | 0 | 0 | 0 | 110.6 | N5 I6 G12 A13 | N5-D9 WeakPolarHBondContact O-CB 3.19Å; N5-D9 PolarHBondContact O-N 2.79Å; I6-D9 PolarHBondContact O-N 2.95Å; D9-G12 PolarHBondContact O-N 2.89Å; D9-A13 WeakPolarHBondContact O-CB 3.42Å; D9-A13 PolarHBondContact O-N 2.9Å |
| 10 | F | 70.8 | Confident | 70.3 | Confident | 89 Ų | 89 | 98.3 Ų | 98.3 | 39% | 0.39 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 175 | -175.6 | -112.2 | 0 | 0 | 0 | 112.2 | I6 K8 G12 A13 I14 | I6-F10 WeakPolarHBondContact O-CB 3.42Å; I6-F10 PolarHBondContact O-N 2.71Å; K8-F10 VanDerWaalsContact C-N 3.34Å; F10-G12 VanDerWaalsContact C-N 3.27Å; F10-G12 PolarHBondContact O-N 3.37Å; F10-A13 PolarHBondContact O-N 3.38Å; F10-I14 HydrophobicContact CD1-CD1 3.56Å; F10-I14 HydrophobicContact CD2-CD1 4.39Å; F10-I14 HydrophobicContact CE1-CD1 3.22Å; F10-I14 HydrophobicContact CE1-CG1 4.35Å; F10-I14 HydrophobicContact CE2-CD1 4.1Å; F10-I14 HydrophobicContact CE2-CG1 4.45Å; F10-I14 HydrophobicContact CG-CD1 4.15Å; F10-I14 HydrophobicContact CZ-CD1 3.52Å; F10-I14 HydrophobicContact CZ-CG1 4.27Å; F10-I14 WeakPolarHBondContact O-CG1 3.36Å; F10-I14 PolarHBondContact O-N 3.28Å |
| 11 | A | 70.3 | Confident | 70.5 | Confident | 56 Ų | 56 | 97 Ų | 97 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | S7 K8 D15 | S7-A11 WeakPolarHBondContact O-CB 3.35Å; S7-A11 PolarHBondContact O-N 2.91Å; K8-A11 PolarHBondContact O-N 2.83Å; A11-D15 PolarHBondContact O-N 2.9Å; A11-D15 VanDerWaalsContact O-N 3.1Å |
| 12 | G | 72.1 | Confident | 71.2 | Confident | 42 Ų | 42 | 89.3 Ų | 89.3 | 43% | 0.433 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K8 D9 F10 I14 D15 E16 | K8-G12 PolarHBondContact O-N 3.34Å; D9-G12 PolarHBondContact O-N 2.89Å; F10-G12 VanDerWaalsContact C-N 3.27Å; F10-G12 PolarHBondContact O-N 3.37Å; G12-I14 VanDerWaalsContact C-N 3.33Å; G12-I14 PolarHBondContact O-N 3.06Å; G12-D15 PolarHBondContact O-N 2.82Å; G12-E16 PolarHBondContact O-N 3Å |
| 13 | A | 73.5 | Confident | 71.5 | Confident | 56 Ų | 56 | 86.2 Ų | 86.2 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | D9 F10 E16 E17 | D9-A13 WeakPolarHBondContact O-CB 3.42Å; D9-A13 PolarHBondContact O-N 2.9Å; F10-A13 PolarHBondContact O-N 3.38Å; A13-E16 PolarHBondContact O-N 3.44Å; A13-E17 PolarHBondContact O-N 3.27Å; A13-E17 VanDerWaalsContact O-N 3.11Å |
| 14 | I | 71.4 | Confident | 72.2 | Confident | 27 Ų | 27 | 86.1 Ų | 86.1 | 14% | 0.138 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.1 | -70.6 | 165.4 | 0 | 0 | 0 | 110.9 | F10 G12 E16 E17 V18 I45 | F10-I14 HydrophobicContact CD1-CD1 3.56Å; F10-I14 HydrophobicContact CD2-CD1 4.39Å; F10-I14 HydrophobicContact CE1-CD1 3.22Å; F10-I14 HydrophobicContact CE1-CG1 4.35Å; F10-I14 HydrophobicContact CE2-CD1 4.1Å; F10-I14 HydrophobicContact CE2-CG1 4.45Å; F10-I14 HydrophobicContact CG-CD1 4.15Å; F10-I14 HydrophobicContact CZ-CD1 3.52Å; F10-I14 HydrophobicContact CZ-CG1 4.27Å; F10-I14 WeakPolarHBondContact O-CG1 3.36Å; F10-I14 PolarHBondContact O-N 3.28Å; G12-I14 VanDerWaalsContact C-N 3.33Å; G12-I14 PolarHBondContact O-N 3.06Å; I14-E16 PolarHBondContact O-N 2.81Å; I14-E17 PolarHBondContact O-N 2.68Å; I14-V18 HydrophobicContact CG2-CG2 3.93Å; I14-V18 WeakPolarHBondContact O-CB 3.09Å; I14-V18 WeakPolarHBondContact O-CG2 3.26Å; I14-V18 PolarHBondContact O-N 3.49Å; I14-I45 HydrophobicContact CD1-CG2 4.37Å; I14-I45 HydrophobicContact CG2-CD1 3.4Å; I14-I45 VanDerWaalsContact CG2-CD1 3.4Å; I14-I45 HydrophobicContact CG2-CG1 3.68Å; I14-I45 HydrophobicContact CG2-CG2 4.04Å |
| 15 | D | 74 | Confident | 72.2 | Confident | 103 Ų | 103 | 83.5 Ų | 83.5 | 55% | 0.551 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57.6 | -39.7 | -179.2 | -170.9 | 65.3 | 0 | 0 | 0 | 111.8 | A11 G12 M19 | A11-D15 PolarHBondContact O-N 2.9Å; A11-D15 VanDerWaalsContact O-N 3.1Å; G12-D15 PolarHBondContact O-N 2.82Å; D15-M19 VanDerWaalsContact O-CB 3.27Å; D15-M19 WeakPolarHBondContact O-CB 3.36Å; D15-M19 PolarHBondContact O-N 2.83Å |
| 16 | E | 76 | Confident | 72.1 | Confident | 147 Ų | 147 | 85 Ų | 85 | 69% | 0.687 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.8 | -48.6 | 176.2 | -173.8 | 170.3 | -158.2 | 0 | 0 | 112.4 | G12 A13 I14 V18 M19 E20 | G12-E16 PolarHBondContact O-N 3Å; A13-E16 PolarHBondContact O-N 3.44Å; I14-E16 PolarHBondContact O-N 2.81Å; E16-V18 PolarHBondContact O-N 3.36Å; E16-M19 PolarHBondContact O-N 3.4Å; E16-E20 PolarHBondContact O-N 2.87Å |
| 17 | E | 70.9 | Confident | 72.4 | Confident | 121 Ų | 121 | 86.6 Ų | 86.6 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | -179.3 | -165.2 | 179.1 | -178.1 | 0 | 0 | 111.6 | A13 I14 E20 M21 | A13-E17 PolarHBondContact O-N 3.27Å; A13-E17 VanDerWaalsContact O-N 3.11Å; I14-E17 PolarHBondContact O-N 2.68Å; E17-E20 PolarHBondContact O-N 3.14Å; E17-M21 HydrophobicContact CG-CE 4.19Å; E17-M21 WeakPolarHBondContact O-CG 3.44Å; E17-M21 PolarHBondContact O-N 3.25Å |
| 18 | V | 72 | Confident | 72.7 | Confident | 38 Ų | 38 | 90.7 Ų | 90.7 | 23% | 0.23 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 175.9 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | I14 E16 E20 M21 A22 I41 I45 | I14-V18 HydrophobicContact CG2-CG2 3.93Å; I14-V18 WeakPolarHBondContact O-CB 3.09Å; I14-V18 WeakPolarHBondContact O-CG2 3.26Å; I14-V18 PolarHBondContact O-N 3.49Å; E16-V18 PolarHBondContact O-N 3.36Å; V18-E20 VanDerWaalsContact C-N 3.32Å; V18-E20 PolarHBondContact O-N 2.91Å; V18-M21 HydrophobicContact CG2-CE 4.27Å; V18-M21 PolarHBondContact O-N 3.07Å; V18-A22 WeakPolarHBondContact O-CB 3.44Å; V18-A22 PolarHBondContact O-N 3.01Å; V18-I41 HydrophobicContact CG1-CG2 4.21Å; V18-I41 HydrophobicContact CG2-CG2 3.71Å; V18-I45 HydrophobicContact CG2-CD1 3.53Å |
| 19 | M | 74.3 | Confident | 72.5 | Confident | 121 Ų | 121 | 86 Ų | 86 | 60% | 0.596 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.4 | -38.8 | 177.5 | -166 | -179.2 | -55.2 | 0 | 0 | 111.5 | D15 E16 A22 N23 | D15-M19 VanDerWaalsContact O-CB 3.27Å; D15-M19 WeakPolarHBondContact O-CB 3.36Å; D15-M19 PolarHBondContact O-N 2.83Å; E16-M19 PolarHBondContact O-N 3.4Å; M19-A22 PolarHBondContact O-N 3.49Å; M19-N23 WeakPolarHBondContact O-CB 3.22Å; M19-N23 PolarHBondContact O-N 2.84Å |
| 20 | E | 75.4 | Confident | 72 | Confident | 120 Ų | 120 | 81.4 Ų | 81.4 | 56% | 0.561 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.3 | -47.8 | 174.2 | -174.4 | 173 | -161.4 | 0 | 0 | 111.4 | E16 E17 V18 A22 N23 I24 | E16-E20 PolarHBondContact O-N 2.87Å; E17-E20 PolarHBondContact O-N 3.14Å; V18-E20 VanDerWaalsContact C-N 3.32Å; V18-E20 PolarHBondContact O-N 2.91Å; E20-A22 PolarHBondContact O-N 2.64Å; E20-N23 WeakPolarHBondContact O-CB 3.38Å; E20-N23 PolarHBondContact O-N 2.78Å; E20-N23 VanDerWaalsContact O-N 3.14Å; E20-I24 HydrophobicContact CG-CD1 4Å; E20-I24 WeakPolarHBondContact O-CG1 3.46Å; E20-I24 PolarHBondContact O-N 3.31Å |
| 21 | M | 73.6 | Confident | 71.5 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 35% | 0.35 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.4 | -73.1 | -171.3 | -75.8 | 0 | 0 | 112.3 | E17 V18 N23 I24 S25 I41 | E17-M21 HydrophobicContact CG-CE 4.19Å; E17-M21 WeakPolarHBondContact O-CG 3.44Å; E17-M21 PolarHBondContact O-N 3.25Å; V18-M21 HydrophobicContact CG2-CE 4.27Å; V18-M21 PolarHBondContact O-N 3.07Å; M21-N23 VanDerWaalsContact C-N 3.28Å; M21-N23 PolarHBondContact O-N 3.24Å; M21-I24 PolarHBondContact O-N 3.3Å; M21-S25 WeakPolarHBondContact O-CB 3.49Å; M21-S25 PolarHBondContact O-N 3.24Å; M21-I41 HydrophobicContact CE-CD1 3.99Å; M21-I41 HydrophobicContact CE-CG2 4.46Å; M21-I41 HydrophobicContact SD-CD1 4.14Å |
| 22 | A | 71.6 | Confident | 71 | Confident | 55 Ų | 55 | 86.5 Ų | 86.5 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V18 M19 E20 S25 K26 | V18-A22 WeakPolarHBondContact O-CB 3.44Å; V18-A22 PolarHBondContact O-N 3.01Å; M19-A22 PolarHBondContact O-N 3.49Å; E20-A22 PolarHBondContact O-N 2.64Å; A22-S25 PolarHBondContact O-N 3.44Å; A22-K26 WeakPolarHBondContact O-CB 3.45Å; A22-K26 PolarHBondContact O-N 3.47Å |
| 23 | N | 75.8 | Confident | 70.5 | Confident | 91 Ų | 91 | 87.8 Ų | 87.8 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 177.8 | -164.9 | 39.4 | 0 | 0 | 0 | 112.4 | M19 E20 M21 K26 N27 | M19-N23 WeakPolarHBondContact O-CB 3.22Å; M19-N23 PolarHBondContact O-N 2.84Å; E20-N23 WeakPolarHBondContact O-CB 3.38Å; E20-N23 PolarHBondContact O-N 2.78Å; E20-N23 VanDerWaalsContact O-N 3.14Å; M21-N23 VanDerWaalsContact C-N 3.28Å; M21-N23 PolarHBondContact O-N 3.24Å; N23-K26 PolarHBondContact O-N 2.84Å; N23-N27 PolarHBondContact O-N 2.91Å |
| 24 | I | 74.9 | Confident | 69.9 | Low | 86 Ų | 86 | 86.9 Ų | 86.9 | 44% | 0.441 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 173 | -67.4 | 165.3 | 0 | 0 | 0 | 110 | E20 M21 K26 N27 L28 | E20-I24 HydrophobicContact CG-CD1 4Å; E20-I24 WeakPolarHBondContact O-CG1 3.46Å; E20-I24 PolarHBondContact O-N 3.31Å; M21-I24 PolarHBondContact O-N 3.3Å; I24-K26 VanDerWaalsContact C-N 3.33Å; I24-K26 PolarHBondContact O-N 3.48Å; I24-N27 PolarHBondContact O-N 3.41Å; I24-L28 HydrophobicContact CG2-CD1 3.83Å; I24-L28 HydrophobicContact CG2-CG 4.41Å; I24-L28 WeakPolarHBondContact O-CG 3.29Å; I24-L28 PolarHBondContact O-N 2.97Å |
| 25 | S | 67.6 | Low | 69.7 | Low | 17 Ų | 17 | 93 Ų | 93 | 12% | 0.119 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | M21 A22 L28 G30 | M21-S25 WeakPolarHBondContact O-CB 3.49Å; M21-S25 PolarHBondContact O-N 3.24Å; A22-S25 PolarHBondContact O-N 3.44Å; S25-L28 PolarHBondContact O-N 3.36Å; S25-G30 PolarHBondContact O-N 3.24Å |
| 26 | K | 70.8 | Confident | 69.6 | Low | 123 Ų | 123 | 90.5 Ų | 90.5 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 174.6 | -171.5 | 176 | -177.8 | 176.5 | 0 | 112.4 | A22 N23 I24 L28 G29 | A22-K26 WeakPolarHBondContact O-CB 3.45Å; A22-K26 PolarHBondContact O-N 3.47Å; N23-K26 PolarHBondContact O-N 2.84Å; I24-K26 VanDerWaalsContact C-N 3.33Å; I24-K26 PolarHBondContact O-N 3.48Å; K26-L28 VanDerWaalsContact C-N 3.31Å; K26-L28 PolarHBondContact O-N 2.92Å; K26-G29 PolarHBondContact O-N 2.81Å |
| 27 | N | 74 | Confident | 69.5 | Low | 128 Ų | 128 | 87.5 Ų | 87.5 | 68% | 0.684 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66 | -32 | 175.7 | -78.6 | -20.3 | 0 | 0 | 0 | 112.9 | N23 I24 G29 | N23-N27 PolarHBondContact O-N 2.91Å; I24-N27 PolarHBondContact O-N 3.41Å; N27-G29 PolarHBondContact O-N 3.14Å |
| 28 | L | 73.8 | Confident | 69.6 | Low | 142 Ų | 142 | 86.7 Ų | 86.7 | 74% | 0.743 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 3.3 | 176.6 | -71.2 | 169.5 | 0 | 0 | 0 | 113.7 | I24 S25 K26 G30 | I24-L28 HydrophobicContact CG2-CD1 3.83Å; I24-L28 HydrophobicContact CG2-CG 4.41Å; I24-L28 WeakPolarHBondContact O-CG 3.29Å; I24-L28 PolarHBondContact O-N 2.97Å; S25-L28 PolarHBondContact O-N 3.36Å; K26-L28 VanDerWaalsContact C-N 3.31Å; K26-L28 PolarHBondContact O-N 2.92Å; L28-G30 VanDerWaalsContact C-N 3.29Å; L28-G30 PolarHBondContact O-N 3.47Å |
| 29 | G | 65.8 | Low | 69.9 | Low | 59 Ų | 59 | 86.8 Ų | 86.8 | 61% | 0.608 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 14.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K26 N27 Y31 | K26-G29 PolarHBondContact O-N 2.81Å; N27-G29 PolarHBondContact O-N 3.14Å; G29-Y31 PolarHBondContact O-N 2.96Å |
| 30 | G | 62.5 | Low | 70 | Confident | 17 Ų | 17 | 86 Ų | 86 | 18% | 0.175 | 48% | 0.48 | C | S | . | . | trans | -89.7 | 48.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S25 L28 G32 S33 S34 | S25-G30 PolarHBondContact O-N 3.24Å; L28-G30 VanDerWaalsContact C-N 3.29Å; L28-G30 PolarHBondContact O-N 3.47Å; G30-G32 PolarHBondContact O-N 3.39Å; G30-S33 PolarHBondContact O-N 3.42Å; G30-S33 PolarHBondContact O-OG 3.33Å; G30-S34 PolarHBondContact O-N 2.85Å; G30-S34 VanDerWaalsContact O-N 3.13Å | ||
| 31 | Y | 60.3 | Low | 70.1 | Confident | 181 Ų | 181 | 81.8 Ų | 81.8 | 71% | 0.71 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -16.6 | 179.3 | -90.6 | -86.2 | 0 | 0 | 0 | 114.5 | G29 | G29-Y31 PolarHBondContact O-N 2.96Š|
| 32 | G | 60.3 | Low | 70.4 | Confident | 71 Ų | 71 | 84.3 Ų | 84.3 | 73% | 0.732 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -21 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G30 | G30-G32 PolarHBondContact O-N 3.39Š|
| 33 | S | 61.9 | Low | 70.9 | Confident | 69 Ų | 69 | 87.4 Ų | 87.4 | 48% | 0.483 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -21.6 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | G30 Y35 A36 I37 | G30-S33 PolarHBondContact O-N 3.42Å; G30-S33 PolarHBondContact O-OG 3.33Å; S33-Y35 VanDerWaalsContact C-N 3.32Å; S33-Y35 PolarHBondContact O-N 2.93Å; S33-A36 PolarHBondContact O-N 2.93Å; S33-I37 PolarHBondContact O-N 2.87Å; S33-I37 VanDerWaalsContact O-N 3.11Å |
| 34 | S | 62.1 | Low | 71 | Confident | 38 Ų | 38 | 88.6 Ų | 88.6 | 27% | 0.266 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.9 | -33.6 | -177.5 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | G30 I37 E38 | G30-S34 PolarHBondContact O-N 2.85Å; G30-S34 VanDerWaalsContact O-N 3.13Å; S34-I37 WeakPolarHBondContact O-CG2 3.26Å; S34-E38 WeakPolarHBondContact O-CB 3.18Å; S34-E38 PolarHBondContact O-N 3.21Å |
| 35 | Y | 65.9 | Low | 71.1 | Confident | 154 Ų | 154 | 86.6 Ų | 86.6 | 60% | 0.604 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71.2 | -43.2 | 179.6 | -175.2 | -104.5 | 0 | 0 | 0 | 112.1 | S33 E38 D39 | S33-Y35 VanDerWaalsContact C-N 3.32Å; S33-Y35 PolarHBondContact O-N 2.93Å; Y35-E38 PolarHBondContact O-N 3.49Å; Y35-D39 WeakPolarHBondContact CE1-OD2 3.47Å; Y35-D39 PolarHBondContact O-N 3.37Å |
| 36 | A | 72.4 | Confident | 71.8 | Confident | 52 Ų | 52 | 91 Ų | 91 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S33 D39 D40 | S33-A36 PolarHBondContact O-N 2.93Å; A36-D39 PolarHBondContact O-N 3.41Å; A36-D40 WeakPolarHBondContact O-CB 3.48Å; A36-D40 VanDerWaalsContact O-CG 3.25Å; A36-D40 PolarHBondContact O-N 2.9Å |
| 37 | I | 73.2 | Confident | 72.2 | Confident | 83 Ų | 83 | 87 Ų | 87 | 43% | 0.426 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.4 | -33.5 | 177.4 | -156 | 172.5 | 0 | 0 | 0 | 111.8 | S33 S34 D40 I41 | S33-I37 PolarHBondContact O-N 2.87Å; S33-I37 VanDerWaalsContact O-N 3.11Å; S34-I37 WeakPolarHBondContact O-CG2 3.26Å; I37-D40 PolarHBondContact O-N 3.42Å; I37-I41 HydrophobicContact CD1-CD1 4.45Å; I37-I41 HydrophobicContact CG1-CD1 3.84Å; I37-I41 HydrophobicContact CG1-CG1 4.28Å; I37-I41 VanDerWaalsContact O-CB 3.23Å; I37-I41 WeakPolarHBondContact O-CB 3.43Å; I37-I41 WeakPolarHBondContact O-CD1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.33Å; I37-I41 PolarHBondContact O-N 3.19Å |
| 38 | E | 74.6 | Confident | 72.3 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 49% | 0.486 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 174.6 | -179 | -176.8 | 173.4 | 0 | 0 | 111.2 | S34 Y35 I41 R42 | S34-E38 WeakPolarHBondContact O-CB 3.18Å; S34-E38 PolarHBondContact O-N 3.21Å; Y35-E38 PolarHBondContact O-N 3.49Å; E38-I41 PolarHBondContact O-N 3.07Å; E38-R42 WeakPolarHBondContact O-CB 3.41Å; E38-R42 PolarHBondContact O-N 2.93Å |
| 39 | D | 76.5 | Confident | 72.6 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 21% | 0.214 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 176.6 | -80.5 | -16.7 | 0 | 0 | 0 | 111.9 | Y35 A36 I41 R42 E43 | Y35-D39 WeakPolarHBondContact CE1-OD2 3.47Å; Y35-D39 PolarHBondContact O-N 3.37Å; A36-D39 PolarHBondContact O-N 3.41Å; D39-I41 VanDerWaalsContact C-N 3.32Å; D39-I41 PolarHBondContact O-N 3.13Å; D39-R42 PolarHBondContact O-N 3.24Å; D39-R42 IonicContact OD1-CZ 3.11Å; D39-R42 IonicContact OD1-NH1 2.84Å; D39-R42 PolarHBondContact OD1-NH1 2.7Å; D39-R42 IonicContact OD1-NH2 2.7Å; D39-R42 PolarHBondContact OD1-NH2 2.84Å; D39-E43 PolarHBondContact O-N 3.49Å |
| 40 | D | 78.2 | Confident | 73.3 | Confident | 106 Ų | 106 | 83.3 Ų | 83.3 | 57% | 0.567 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.2 | -40.6 | 176.9 | -71.9 | -9.2 | 0 | 0 | 0 | 111.6 | A36 I37 H44 | A36-D40 WeakPolarHBondContact O-CB 3.48Å; A36-D40 VanDerWaalsContact O-CG 3.25Å; A36-D40 PolarHBondContact O-N 2.9Å; I37-D40 PolarHBondContact O-N 3.42Å; D40-H44 WeakPolarHBondContact O-CB 3.34Å; D40-H44 PolarHBondContact O-N 3.26Å |
| 41 | I | 76.1 | Confident | 73.9 | Confident | 31 Ų | 31 | 89.7 Ų | 89.7 | 16% | 0.159 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 177.1 | -72.3 | 166.1 | 0 | 0 | 0 | 110.4 | V18 M21 I37 E38 D39 E43 H44 I45 | V18-I41 HydrophobicContact CG1-CG2 4.21Å; V18-I41 HydrophobicContact CG2-CG2 3.71Å; M21-I41 HydrophobicContact CE-CD1 3.99Å; M21-I41 HydrophobicContact CE-CG2 4.46Å; M21-I41 HydrophobicContact SD-CD1 4.14Å; I37-I41 HydrophobicContact CD1-CD1 4.45Å; I37-I41 HydrophobicContact CG1-CD1 3.84Å; I37-I41 HydrophobicContact CG1-CG1 4.28Å; I37-I41 VanDerWaalsContact O-CB 3.23Å; I37-I41 WeakPolarHBondContact O-CB 3.43Å; I37-I41 WeakPolarHBondContact O-CD1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.33Å; I37-I41 PolarHBondContact O-N 3.19Å; E38-I41 PolarHBondContact O-N 3.07Å; D39-I41 VanDerWaalsContact C-N 3.32Å; D39-I41 PolarHBondContact O-N 3.13Å; I41-E43 PolarHBondContact O-N 2.98Å; I41-H44 WeakPolarHBondContact O-CB 3.32Å; I41-H44 PolarHBondContact O-N 3.38Å; I41-I45 HydrophobicContact CG2-CD1 3.63Å; I41-I45 HydrophobicContact CG2-CG1 4.39Å; I41-I45 WeakPolarHBondContact O-CD1 3.43Å; I41-I45 VanDerWaalsContact O-CG1 3.27Å; I41-I45 WeakPolarHBondContact O-CG1 3.18Å; I41-I45 PolarHBondContact O-N 3.1Å |
| 42 | R | 80.3 | Confident | 74.6 | Confident | 123 Ų | 123 | 83.8 Ų | 83.8 | 46% | 0.464 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 176.9 | -175.5 | -179.8 | 67.6 | -128.9 | -9.2 | 111.2 | E38 D39 H44 I45 E46 | E38-R42 WeakPolarHBondContact O-CB 3.41Å; E38-R42 PolarHBondContact O-N 2.93Å; D39-R42 PolarHBondContact O-N 3.24Å; D39-R42 IonicContact OD1-CZ 3.11Å; D39-R42 IonicContact OD1-NH1 2.84Å; D39-R42 PolarHBondContact OD1-NH1 2.7Å; D39-R42 IonicContact OD1-NH2 2.7Å; D39-R42 PolarHBondContact OD1-NH2 2.84Å; R42-H44 VanDerWaalsContact C-N 3.29Å; R42-H44 PolarHBondContact O-N 2.89Å; R42-I45 PolarHBondContact O-N 3.43Å; R42-E46 WeakPolarHBondContact O-CG 3.43Å; R42-E46 PolarHBondContact O-N 3.43Å |
| 43 | E | 81.8 | Confident | 75.3 | Confident | 120 Ų | 120 | 83.1 Ų | 83.1 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.6 | -43.5 | 175.6 | -177.3 | 174.9 | -164.3 | 0 | 0 | 110.8 | D39 I41 I45 E46 D47 | D39-E43 PolarHBondContact O-N 3.49Å; I41-E43 PolarHBondContact O-N 2.98Å; E43-I45 VanDerWaalsContact C-N 3.33Å; E43-I45 PolarHBondContact O-N 2.88Å; E43-E46 PolarHBondContact O-N 3.47Å; E43-D47 WeakPolarHBondContact O-CB 3.47Å; E43-D47 PolarHBondContact O-N 3.27Å |
| 44 | H | 78.6 | Confident | 75.9 | Confident | 116 Ų | 116 | 85.1 Ų | 85.1 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 177.8 | -164.6 | 57.9 | 0 | 0 | 0 | 112.9 | D40 I41 R42 D47 C48 | D40-H44 WeakPolarHBondContact O-CB 3.34Å; D40-H44 PolarHBondContact O-N 3.26Å; I41-H44 WeakPolarHBondContact O-CB 3.32Å; I41-H44 PolarHBondContact O-N 3.38Å; R42-H44 VanDerWaalsContact C-N 3.29Å; R42-H44 PolarHBondContact O-N 2.89Å; H44-D47 WeakPolarHBondContact O-CB 3.34Å; H44-D47 PolarHBondContact O-N 3.34Å; H44-C48 WeakPolarHBondContact O-CB 3.46Å; H44-C48 PolarHBondContact O-N 3.39Å; H44-C48 PolarHBondContact O-SG 2.94Å |
| 45 | I | 77.1 | Confident | 76.4 | Confident | 44 Ų | 44 | 89 Ų | 89 | 23% | 0.226 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68.8 | -44.5 | 177.8 | -67.4 | 160.1 | 0 | 0 | 0 | 110.9 | I14 V18 I41 R42 E43 D47 C48 V49 | I14-I45 HydrophobicContact CD1-CG2 4.37Å; I14-I45 HydrophobicContact CG2-CD1 3.4Å; I14-I45 VanDerWaalsContact CG2-CD1 3.4Å; I14-I45 HydrophobicContact CG2-CG1 3.68Å; I14-I45 HydrophobicContact CG2-CG2 4.04Å; V18-I45 HydrophobicContact CG2-CD1 3.53Å; I41-I45 HydrophobicContact CG2-CD1 3.63Å; I41-I45 HydrophobicContact CG2-CG1 4.39Å; I41-I45 WeakPolarHBondContact O-CD1 3.43Å; I41-I45 VanDerWaalsContact O-CG1 3.27Å; I41-I45 WeakPolarHBondContact O-CG1 3.18Å; I41-I45 PolarHBondContact O-N 3.1Å; R42-I45 PolarHBondContact O-N 3.43Å; E43-I45 VanDerWaalsContact C-N 3.33Å; E43-I45 PolarHBondContact O-N 2.88Å; I45-D47 PolarHBondContact O-N 3.03Å; I45-C48 PolarHBondContact O-N 2.93Å; I45-C48 VanDerWaalsContact O-N 3.13Å; I45-V49 HydrophobicContact CG2-CG2 4.21Å; I45-V49 WeakPolarHBondContact O-CG2 3.46Å; I45-V49 PolarHBondContact O-N 3.23Å |
| 46 | E | 81.3 | Confident | 76.6 | Confident | 109 Ų | 109 | 83.8 Ų | 83.8 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 175.5 | -73.8 | 179.3 | -171 | 0 | 0 | 111.2 | R42 E43 R50 | R42-E46 WeakPolarHBondContact O-CG 3.43Å; R42-E46 PolarHBondContact O-N 3.43Å; E43-E46 PolarHBondContact O-N 3.47Å; E46-R50 WeakPolarHBondContact O-CB 3.32Å; E46-R50 PolarHBondContact O-N 3.02Å |
| 47 | D | 79.5 | Confident | 76.3 | Confident | 40 Ų | 40 | 86 Ų | 86 | 21% | 0.214 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 172.8 | -85.9 | 18.6 | 0 | 0 | 0 | 112.6 | E43 H44 I45 R50 R51 | E43-D47 WeakPolarHBondContact O-CB 3.47Å; E43-D47 PolarHBondContact O-N 3.27Å; H44-D47 WeakPolarHBondContact O-CB 3.34Å; H44-D47 PolarHBondContact O-N 3.34Å; I45-D47 PolarHBondContact O-N 3.03Å; D47-R50 PolarHBondContact O-N 2.87Å; D47-R50 IonicContact OD1-CZ 3.13Å; D47-R50 IonicContact OD1-NH1 2.78Å; D47-R50 PolarHBondContact OD1-NH1 3.49Å; D47-R50 IonicContact OD1-NH2 2.64Å; D47-R50 PolarHBondContact OD1-NH2 3.11Å; D47-R50 IonicContact OD2-NH2 3.55Å; D47-R51 WeakPolarHBondContact O-CB 3.41Å; D47-R51 WeakPolarHBondContact O-CG 3.5Å; D47-R51 PolarHBondContact O-N 3.47Å |
| 48 | C | 77.2 | Confident | 76.2 | Confident | 36 Ų | 36 | 86.6 Ų | 86.6 | 24% | 0.243 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.4 | -47 | 176.6 | -74.8 | 0 | 0 | 0 | 0 | 111.9 | H44 I45 R50 R51 F52 | H44-C48 WeakPolarHBondContact O-CB 3.46Å; H44-C48 PolarHBondContact O-N 3.39Å; H44-C48 PolarHBondContact O-SG 2.94Å; I45-C48 PolarHBondContact O-N 2.93Å; I45-C48 VanDerWaalsContact O-N 3.13Å; C48-R50 VanDerWaalsContact C-N 3.33Å; C48-R50 PolarHBondContact O-N 3.29Å; C48-R51 PolarHBondContact O-N 3.27Å; C48-F52 WeakPolarHBondContact O-CB 3.35Å; C48-F52 PolarHBondContact O-N 3.36Å |
| 49 | V | 78.5 | Confident | 76 | Confident | 78 Ų | 78 | 87.3 Ų | 87.3 | 47% | 0.473 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | I45 F52 A53 | I45-V49 HydrophobicContact CG2-CG2 4.21Å; I45-V49 WeakPolarHBondContact O-CG2 3.46Å; I45-V49 PolarHBondContact O-N 3.23Å; V49-F52 PolarHBondContact O-N 3.45Å; V49-A53 VanDerWaalsContact O-CB 3.26Å; V49-A53 WeakPolarHBondContact O-CB 3.44Å; V49-A53 PolarHBondContact O-N 3.46Å |
| 50 | R | 81.8 | Confident | 75.4 | Confident | 138 Ų | 138 | 90.8 Ų | 90.8 | 52% | 0.521 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 176.6 | -174.4 | 171.6 | 69.1 | -110.2 | 4.4 | 111.9 | E46 D47 C48 Q54 | E46-R50 WeakPolarHBondContact O-CB 3.32Å; E46-R50 PolarHBondContact O-N 3.02Å; D47-R50 PolarHBondContact O-N 2.87Å; D47-R50 IonicContact OD1-CZ 3.13Å; D47-R50 IonicContact OD1-NH1 2.78Å; D47-R50 PolarHBondContact OD1-NH1 3.49Å; D47-R50 IonicContact OD1-NH2 2.64Å; D47-R50 PolarHBondContact OD1-NH2 3.11Å; D47-R50 IonicContact OD2-NH2 3.55Å; C48-R50 VanDerWaalsContact C-N 3.33Å; C48-R50 PolarHBondContact O-N 3.29Å; R50-Q54 WeakPolarHBondContact O-CB 3.27Å; R50-Q54 PolarHBondContact O-N 3.4Å |
| 51 | R | 74.9 | Confident | 75 | Confident | 151 Ų | 151 | 91.5 Ų | 91.5 | 57% | 0.57 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.7 | -46.8 | 175.5 | -77.2 | -177.8 | -176.3 | 149.3 | 7.4 | 111.7 | D47 C48 A53 Q54 E55 | D47-R51 WeakPolarHBondContact O-CB 3.41Å; D47-R51 WeakPolarHBondContact O-CG 3.5Å; D47-R51 PolarHBondContact O-N 3.47Å; C48-R51 PolarHBondContact O-N 3.27Å; R51-A53 PolarHBondContact O-N 3.02Å; R51-Q54 PolarHBondContact O-N 3.11Å; R51-Q54 VanDerWaalsContact O-N 3.14Å; R51-E55 WeakPolarHBondContact O-CB 3.39Å; R51-E55 PolarHBondContact O-N 3.35Å |
| 52 | F | 74.7 | Confident | 74.5 | Confident | 57 Ų | 57 | 97.5 Ų | 97.5 | 25% | 0.25 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 178.2 | -172.7 | -97.8 | 0 | 0 | 0 | 111.2 | I6 C48 V49 Q54 E55 E56 | I6-F52 HydrophobicContact CG2-CZ 4.37Å; C48-F52 WeakPolarHBondContact O-CB 3.35Å; C48-F52 PolarHBondContact O-N 3.36Å; V49-F52 PolarHBondContact O-N 3.45Å; F52-Q54 VanDerWaalsContact C-N 3.29Å; F52-Q54 PolarHBondContact O-N 2.93Å; F52-E55 PolarHBondContact O-N 3.45Å; F52-E56 HydrophobicContact CD1-CG 4.01Å; F52-E56 HydrophobicContact CD2-CG 4.48Å; F52-E56 HydrophobicContact CE1-CG 3.63Å; F52-E56 HydrophobicContact CE2-CG 4.13Å; F52-E56 HydrophobicContact CG-CG 4.42Å; F52-E56 HydrophobicContact CZ-CG 3.68Å; F52-E56 VanDerWaalsContact O-CB 3.29Å; F52-E56 WeakPolarHBondContact O-CB 3.5Å; F52-E56 VanDerWaalsContact O-CG 3.26Å; F52-E56 WeakPolarHBondContact O-CG 3.49Å; F52-E56 PolarHBondContact O-N 3.34Å |
| 53 | A | 73.9 | Confident | 73.6 | Confident | 57 Ų | 57 | 93.9 Ų | 93.9 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -33.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V49 R51 L57 | V49-A53 VanDerWaalsContact O-CB 3.26Å; V49-A53 WeakPolarHBondContact O-CB 3.44Å; V49-A53 PolarHBondContact O-N 3.46Å; R51-A53 PolarHBondContact O-N 3.02Å; A53-L57 WeakPolarHBondContact O-CB 3.17Å; A53-L57 PolarHBondContact O-N 3.49Å |
| 54 | Q | 75.2 | Confident | 72.4 | Confident | 111 Ų | 111 | 93.3 Ų | 93.3 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.4 | -47.6 | 175.8 | -175.2 | -176.3 | -31.7 | 0 | 0 | 111.6 | R50 R51 F52 L57 E58 | R50-Q54 WeakPolarHBondContact O-CB 3.27Å; R50-Q54 PolarHBondContact O-N 3.4Å; R51-Q54 PolarHBondContact O-N 3.11Å; R51-Q54 VanDerWaalsContact O-N 3.14Å; F52-Q54 VanDerWaalsContact C-N 3.29Å; F52-Q54 PolarHBondContact O-N 2.93Å; Q54-L57 PolarHBondContact O-N 2.88Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.33Å; Q54-E58 PolarHBondContact NE2-OE1 2.94Å; Q54-E58 WeakPolarHBondContact O-CB 3.27Å; Q54-E58 WeakPolarHBondContact O-CG 3.09Å; Q54-E58 PolarHBondContact O-N 2.93Å |
| 55 | E | 73.5 | Confident | 71.5 | Confident | 118 Ų | 118 | 94.3 Ų | 94.3 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.4 | -47.2 | 178.9 | -174.2 | 170.6 | -165.3 | 0 | 0 | 110.8 | R51 F52 L57 E58 E59 | R51-E55 WeakPolarHBondContact O-CB 3.39Å; R51-E55 PolarHBondContact O-N 3.35Å; F52-E55 PolarHBondContact O-N 3.45Å; E55-L57 PolarHBondContact O-N 3.44Å; E55-E58 PolarHBondContact O-N 3.27Å; E55-E59 WeakPolarHBondContact O-CB 3.14Å; E55-E59 WeakPolarHBondContact O-CG 3.23Å; E55-E59 PolarHBondContact O-N 3.18Å |
| 56 | E | 68.6 | Low | 70 | Confident | 46 Ų | 46 | 94.8 Ų | 94.8 | 22% | 0.215 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 175.3 | -72 | -77 | 146.1 | 0 | 0 | 112.6 | I3 F52 E59 L60 | I3-E56 WeakPolarHBondContact CG2-OE2 3.45Å; F52-E56 HydrophobicContact CD1-CG 4.01Å; F52-E56 HydrophobicContact CD2-CG 4.48Å; F52-E56 HydrophobicContact CE1-CG 3.63Å; F52-E56 HydrophobicContact CE2-CG 4.13Å; F52-E56 HydrophobicContact CG-CG 4.42Å; F52-E56 HydrophobicContact CZ-CG 3.68Å; F52-E56 VanDerWaalsContact O-CB 3.29Å; F52-E56 WeakPolarHBondContact O-CB 3.5Å; F52-E56 VanDerWaalsContact O-CG 3.26Å; F52-E56 WeakPolarHBondContact O-CG 3.49Å; F52-E56 PolarHBondContact O-N 3.34Å; E56-E59 PolarHBondContact O-N 3.02Å; E56-L60 VanDerWaalsContact O-CB 3.26Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 PolarHBondContact O-N 2.91Å |
| 57 | L | 67.3 | Low | 68.5 | Low | 99 Ų | 99 | 95 Ų | 95 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.6 | -41 | 175.7 | -179.8 | 64.5 | 0 | 0 | 0 | 111.3 | A53 Q54 E55 L60 I61 | A53-L57 WeakPolarHBondContact O-CB 3.17Å; A53-L57 PolarHBondContact O-N 3.49Å; Q54-L57 PolarHBondContact O-N 2.88Å; E55-L57 PolarHBondContact O-N 3.44Å; L57-L60 PolarHBondContact O-N 2.97Å; L57-I61 HydrophobicContact CD1-CD1 4.1Å; L57-I61 HydrophobicContact CD1-CG1 4.34Å; L57-I61 HydrophobicContact CG-CD1 3.87Å; L57-I61 WeakPolarHBondContact O-CB 3.33Å; L57-I61 WeakPolarHBondContact O-CD1 3.39Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.48Å |
| 58 | E | 71.4 | Confident | 67.2 | Low | 95 Ų | 95 | 99.7 Ų | 99.7 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 173.8 | -76.3 | 178.9 | -156.4 | 0 | 0 | 110.9 | Q54 E55 I61 Q62 | Q54-E58 WeakPolarHBondContact CG-OE1 3.33Å; Q54-E58 PolarHBondContact NE2-OE1 2.94Å; Q54-E58 WeakPolarHBondContact O-CB 3.27Å; Q54-E58 WeakPolarHBondContact O-CG 3.09Å; Q54-E58 PolarHBondContact O-N 2.93Å; E55-E58 PolarHBondContact O-N 3.27Å; E58-I61 PolarHBondContact O-N 3.13Å; E58-Q62 WeakPolarHBondContact O-CB 3.47Å; E58-Q62 WeakPolarHBondContact O-CG 3.34Å; E58-Q62 PolarHBondContact O-N 3.32Å |
| 59 | E | 70.5 | Confident | 66 | Low | 118 Ų | 118 | 105.5 Ų | 105.5 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.5 | -40.1 | 173.6 | -76 | -162.2 | 172.6 | 0 | 0 | 112.1 | E55 E56 Q62 A63 | E55-E59 WeakPolarHBondContact O-CB 3.14Å; E55-E59 WeakPolarHBondContact O-CG 3.23Å; E55-E59 PolarHBondContact O-N 3.18Å; E56-E59 PolarHBondContact O-N 3.02Å; E59-Q62 CarbonylContact O-C 3.58Å; E59-Q62 PolarHBondContact O-N 3.4Å; E59-A63 WeakPolarHBondContact O-CA 3.33Å; E59-A63 VanDerWaalsContact O-CB 3.22Å; E59-A63 WeakPolarHBondContact O-CB 3.36Å; E59-A63 PolarHBondContact O-N 2.91Å |
| 60 | L | 63.1 | Low | 64.9 | Low | 113 Ų | 113 | 109.2 Ų | 109.2 | 59% | 0.592 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.7 | -36.5 | 176.9 | -169 | 79.6 | 0 | 0 | 0 | 112.3 | E56 L57 | E56-L60 VanDerWaalsContact O-CB 3.26Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 PolarHBondContact O-N 2.91Å; L57-L60 PolarHBondContact O-N 2.97Å |
| 61 | I | 69.2 | Low | 63.5 | Low | 122 Ų | 122 | 108.4 Ų | 108.4 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71 | -36.9 | 175.8 | -69.3 | 165.4 | 0 | 0 | 0 | 110.7 | L57 E58 | L57-I61 HydrophobicContact CD1-CD1 4.1Å; L57-I61 HydrophobicContact CD1-CG1 4.34Å; L57-I61 HydrophobicContact CG-CD1 3.87Å; L57-I61 WeakPolarHBondContact O-CB 3.33Å; L57-I61 WeakPolarHBondContact O-CD1 3.39Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.48Å; E58-I61 PolarHBondContact O-N 3.13Å |
| 62 | Q | 67 | Low | 62.6 | Low | 157 Ų | 157 | 110.2 Ų | 110.2 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.9 | -23.8 | 177.8 | -72.3 | -164.6 | 49.4 | 0 | 0 | 113.7 | E58 E59 P64 | E58-Q62 WeakPolarHBondContact O-CB 3.47Å; E58-Q62 WeakPolarHBondContact O-CG 3.34Å; E58-Q62 PolarHBondContact O-N 3.32Å; E59-Q62 CarbonylContact O-C 3.58Å; E59-Q62 PolarHBondContact O-N 3.4Å; Q62-P64 VanDerWaalsContact O-N 3.14Å |
| 63 | A | 61.2 | Low | 61.9 | Low | 46 Ų | 46 | 115.4 Ų | 115.4 | 38% | 0.38 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -53.8 | 123.6 | 169 | 0 | 0 | 0 | 0 | 0 | 105.7 | E59 T65 | E59-A63 WeakPolarHBondContact O-CA 3.33Å; E59-A63 VanDerWaalsContact O-CB 3.22Å; E59-A63 WeakPolarHBondContact O-CB 3.36Å; E59-A63 PolarHBondContact O-N 2.91Å; A63-T65 PolarHBondContact O-N 3.24Å |
| 64 | P | 56.3 | Low | 60.9 | Low | 108 Ų | 108 | 118.3 Ų | 118.3 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | trans | -53.6 | 119.4 | 178.8 | -18.2 | 27.5 | 0 | 0 | 0 | 106.8 | Q62 G66 | Q62-P64 VanDerWaalsContact O-N 3.14Å; P64-G66 PolarHBondContact O-N 3.39Å | ||
| 65 | T | 59.2 | Low | 60 | Low | 138 Ų | 138 | 119.3 Ų | 119.3 | 85% | 0.847 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -61.7 | -0.5 | 158.4 | -46.8 | 0 | 0 | 0 | 0 | 110.3 | A63 C67 | A63-T65 PolarHBondContact O-N 3.24Å; T65-C67 PolarHBondContact O-N 3.41Å |
| 66 | G | 45.4 | Very low | 58.9 | Low | 54 Ų | 54 | 118.9 Ų | 118.9 | 56% | 0.557 | 65% | 0.651 | S | S | * | * | trans | -68.4 | 69.5 | 160 | 0 | 0 | 0 | 0 | 0 | 111.9 | P64 D68 | P64-G66 PolarHBondContact O-N 3.39Å; G66-D68 PolarHBondContact O-N 3.48Å | ||
| 67 | C | 51.2 | Low | 58.2 | Low | 112 Ų | 112 | 121.5 Ų | 121.5 | 76% | 0.757 | 68% | 0.68 | S | S | * | * | -49.8 | 123.6 | 128.3 | 175.5 | 0 | 0 | 0 | 0 | 105.7 | T65 D69 | T65-C67 PolarHBondContact O-N 3.41Å; C67-D69 PolarHBondContact O-N 2.96Å | |||
| 68 | D | 52 | Low | 57.6 | Low | 139 Ų | 139 | 124.2 Ų | 124.2 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -41.7 | 105.8 | 170.9 | -69.5 | -56.2 | 0 | 0 | 0 | 108.7 | G66 D70 | G66-D68 PolarHBondContact O-N 3.48Å; D68-D70 PolarHBondContact O-N 2.87Å | ||
| 69 | D | 50.5 | Low | 56.4 | Low | 159 Ų | 159 | 126.5 Ų | 126.5 | 85% | 0.85 | 70% | 0.703 | S | S | * | * | trans | -69.8 | 93.4 | 163.3 | -124.6 | -7.3 | 0 | 0 | 0 | 103.4 | C67 D71 | C67-D69 PolarHBondContact O-N 2.96Å; D69-D71 PolarHBondContact O-N 2.97Å | ||
| 70 | D | 55.3 | Low | 55.3 | Low | 155 Ų | 155 | 126.6 Ų | 126.6 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | -53.8 | 74.7 | 165.1 | -92.4 | -41.3 | 0 | 0 | 0 | 108.8 | D68 | D68-D70 PolarHBondContact O-N 2.87Š| ||
| 71 | D | 53.1 | Low | 54.8 | Low | 121 Ų | 121 | 127 Ų | 127 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | trans | -127 | 38.6 | 169.1 | -133.9 | 8.7 | 0 | 0 | 0 | 109.8 | D69 K73 | D69-D71 PolarHBondContact O-N 2.97Å; D71-K73 PolarHBondContact O-N 3.14Å; D71-K73 VanDerWaalsContact OD1-CG 3.28Å; D71-K73 WeakPolarHBondContact OD1-CG 3.36Å | ||
| 72 | M | 56.9 | Low | 54.3 | Low | 190 Ų | 190 | 132.7 Ų | 132.7 | 94% | 0.936 | 75% | 0.751 | S | S | * | * | trans | -81 | 79.3 | 133.1 | -87.3 | -165.3 | -171.4 | 0 | 0 | 107 | N74 | M72-N74 PolarHBondContact O-N 3.44Š| ||
| 73 | K | 60.3 | Low | 53.7 | Low | 166 Ų | 166 | 131.5 Ų | 131.5 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -49.8 | 104.6 | 150.5 | -79 | -116.4 | 178.9 | 177 | 0 | 105.9 | D71 T75 | D71-K73 PolarHBondContact O-N 3.14Å; D71-K73 VanDerWaalsContact OD1-CG 3.28Å; D71-K73 WeakPolarHBondContact OD1-CG 3.36Å; K73-T75 VanDerWaalsContact C-N 3.27Å; K73-T75 PolarHBondContact O-N 3.21Å | ||
| 74 | N | 52.1 | Low | 53.3 | Low | 118 Ų | 118 | 136 Ų | 136 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | trans | -39.9 | 102.4 | 158.3 | -162.7 | 54.8 | 0 | 0 | 0 | 105.1 | M72 D76 | M72-N74 PolarHBondContact O-N 3.44Å; N74-D76 PolarHBondContact ND2-OD1 3.26Å; N74-D76 PolarHBondContact ND2-OD2 3.48Å; N74-D76 PolarHBondContact O-N 3.35Å | ||
| 75 | T | 55 | Low | 53.2 | Low | 131 Ų | 131 | 137.6 Ų | 137.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -68.3 | 80.8 | 164.9 | 47.2 | 0 | 0 | 0 | 0 | 103.6 | K73 A77 | K73-T75 VanDerWaalsContact C-N 3.27Å; K73-T75 PolarHBondContact O-N 3.21Å; T75-A77 PolarHBondContact O-N 3.24Å | ||
| 76 | D | 51.5 | Low | 52.8 | Low | 110 Ų | 110 | 137.5 Ų | 137.5 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | trans | -55.6 | 83.3 | 153.7 | -79.9 | -56.3 | 0 | 0 | 0 | 105.1 | N74 Q78 | N74-D76 PolarHBondContact ND2-OD1 3.26Å; N74-D76 PolarHBondContact ND2-OD2 3.48Å; N74-D76 PolarHBondContact O-N 3.35Å; D76-Q78 HydrophobicContact CB-CG 3.86Å; D76-Q78 PolarHBondContact O-N 2.93Å | ||
| 77 | A | 53.8 | Low | 53.3 | Low | 100 Ų | 100 | 142.8 Ų | 142.8 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -65.7 | 62.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | T75 M79 | T75-A77 PolarHBondContact O-N 3.24Å; A77-M79 VanDerWaalsContact C-N 3.28Å; A77-M79 PolarHBondContact O-N 3.17Å | ||
| 78 | Q | 54.7 | Low | 53.4 | Low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -66.9 | 98.7 | 161.7 | -73.9 | -103.3 | -90.8 | 0 | 0 | 105.2 | D76 | D76-Q78 HydrophobicContact CB-CG 3.86Å; D76-Q78 PolarHBondContact O-N 2.93Å | ||
| 79 | M | 45.7 | Very low | 53.5 | Low | 142 Ų | 142 | 145.2 Ų | 145.2 | 70% | 0.7 | 79% | 0.79 | S | S | * | * | 65.8 | 101.1 | 117.1 | -149.5 | 66.8 | 164.7 | 0 | 0 | 115 | A77 | A77-M79 VanDerWaalsContact C-N 3.28Å; A77-M79 PolarHBondContact O-N 3.17Å | |||
| 80 | N | 47.8 | Very low | 53.7 | Low | 121 Ų | 121 | 144.2 Ų | 144.2 | 65% | 0.647 | 79% | 0.785 | S | S | * | * | trans | 79.8 | 121.3 | 134.5 | -53.8 | -1.8 | 0 | 0 | 0 | 118.8 | ||||
| 81 | S | 51.7 | Low | 53.6 | Low | 122 Ų | 122 | 143.3 Ų | 143.3 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -131.4 | 122.4 | 137.3 | -51.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 82 | D | 60.6 | Low | 53.6 | Low | 241 Ų | 241 | 145.3 Ų | 145.3 | 100% | 1.289 | 79% | 0.794 | S | S | * | * | trans | -28.6 | 0 | -175 | -58.1 | -56.2 | 0 | 0 | 0 | 118.4 |
Retrieved 82 of 82 residues in 438.1 ms
(Link to these results)