| 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 | 72.4 | Confident | 90.8 | Very high | 192 Ų | 192 | 117.8 Ų | 117.8 | 95% | 0.946 | 58% | 0.582 | S | S | * | * | 0 | -71.6 | 0 | -68.8 | -141.1 | -67.4 | 0 | 0 | 113.4 | H3 D4 A5 | M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.37Å; M1-D4 WeakPolarHBondContact CA-OD2 3.38Å; M1-D4 PolarHBondContact N-OD2 2.99Å; M1-D4 PolarHBondContact O-N 3Å; M1-A5 WeakPolarHBondContact O-CB 3.4Å; M1-A5 PolarHBondContact O-N 3.41Å | |||
| 2 | K | 84.1 | Confident | 91.4 | Very high | 188 Ų | 188 | 114.8 Ų | 114.8 | 82% | 0.817 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59 | -42.5 | -178.5 | -75.2 | -172.8 | 179 | -179.6 | 0 | 113.3 | Q6 | K2-Q6 WeakPolarHBondContact O-CG 3.43Å; K2-Q6 PolarHBondContact O-N 3.42Å; K2-Q6 VanDerWaalsContact O-N 3.15Å |
| 3 | H | 87.6 | Confident | 91.8 | Very high | 123 Ų | 123 | 111.2 Ų | 111.2 | 57% | 0.569 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.3 | -49.5 | 178.6 | -174.9 | 57.8 | 0 | 0 | 0 | 112.2 | M1 A5 Q6 I7 | M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.37Å; H3-A5 VanDerWaalsContact C-N 3.28Å; H3-A5 PolarHBondContact O-N 3.03Å; H3-Q6 WeakPolarHBondContact O-CB 3.37Å; H3-Q6 PolarHBondContact O-N 3.07Å; H3-I7 WeakPolarHBondContact NE2-CD1 3.43Å; H3-I7 PolarHBondContact O-N 3.31Å |
| 4 | D | 91.6 | Very high | 92.2 | Very high | 100 Ų | 100 | 111.7 Ų | 111.7 | 54% | 0.535 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.9 | -38.6 | 178.2 | -41.6 | -50.7 | 0 | 0 | 0 | 111.9 | M1 I7 L8 | M1-D4 WeakPolarHBondContact CA-OD2 3.38Å; M1-D4 PolarHBondContact N-OD2 2.99Å; M1-D4 PolarHBondContact O-N 3Å; D4-I7 PolarHBondContact O-N 2.73Å; D4-L8 WeakPolarHBondContact O-CB 3.45Å; D4-L8 PolarHBondContact O-N 3.02Å |
| 5 | A | 92.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 110.7 Ų | 110.7 | 50% | 0.496 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -38.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 H3 Q9 | M1-A5 WeakPolarHBondContact O-CB 3.4Å; M1-A5 PolarHBondContact O-N 3.41Å; H3-A5 VanDerWaalsContact C-N 3.28Å; H3-A5 PolarHBondContact O-N 3.03Å; A5-Q9 WeakPolarHBondContact O-CB 3.47Å; A5-Q9 PolarHBondContact O-N 3.18Å |
| 6 | Q | 94.3 | Very high | 93 | Very high | 114 Ų | 114 | 108.6 Ų | 108.6 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 175.6 | -74.3 | 173.3 | -20 | 0 | 0 | 111.9 | K2 H3 Q9 Q10 | K2-Q6 WeakPolarHBondContact O-CG 3.43Å; K2-Q6 PolarHBondContact O-N 3.42Å; K2-Q6 VanDerWaalsContact O-N 3.15Å; H3-Q6 WeakPolarHBondContact O-CB 3.37Å; H3-Q6 PolarHBondContact O-N 3.07Å; Q6-Q9 PolarHBondContact O-N 3.37Å; Q6-Q10 WeakPolarHBondContact O-CG 3.45Å; Q6-Q10 PolarHBondContact O-N 3.15Å |
| 7 | I | 94.5 | Very high | 93.3 | Very high | 58 Ų | 58 | 109.5 Ų | 109.5 | 30% | 0.297 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 176.9 | -68.9 | 170.8 | 0 | 0 | 0 | 110.4 | H3 D4 Q9 Q10 H11 | H3-I7 WeakPolarHBondContact NE2-CD1 3.43Å; H3-I7 PolarHBondContact O-N 3.31Å; D4-I7 PolarHBondContact O-N 2.73Å; I7-Q9 VanDerWaalsContact C-N 3.3Å; I7-Q9 PolarHBondContact O-N 3.28Å; I7-Q10 WeakPolarHBondContact O-CB 3.47Å; I7-Q10 PolarHBondContact O-N 3.04Å; I7-Q10 VanDerWaalsContact O-N 3.17Å; I7-H11 VanDerWaalsContact CG2-NE2 3.32Å; I7-H11 WeakPolarHBondContact CG2-NE2 3.37Å; I7-H11 PolarHBondContact O-CD2 2.78Å; I7-H11 PolarHBondContact O-N 2.99Å |
| 8 | L | 94.5 | Very high | 93.5 | Very high | 100 Ų | 100 | 108.5 Ų | 108.5 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 177.7 | -177.5 | 61.8 | 0 | 0 | 0 | 111.9 | D4 H11 N12 | D4-L8 WeakPolarHBondContact O-CB 3.45Å; D4-L8 PolarHBondContact O-N 3.02Å; L8-H11 PolarHBondContact O-N 3.22Å; L8-N12 WeakPolarHBondContact O-CB 3.49Å; L8-N12 PolarHBondContact O-N 3.35Å; L8-N12 PolarHBondContact O-ND2 3.46Å |
| 9 | Q | 95.8 | Very high | 93.8 | Very high | 132 Ų | 132 | 108.2 Ų | 108.2 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 176 | -173.6 | 179.9 | 7.1 | 0 | 0 | 112.2 | A5 Q6 I7 T13 | A5-Q9 WeakPolarHBondContact O-CB 3.47Å; A5-Q9 PolarHBondContact O-N 3.18Å; Q6-Q9 PolarHBondContact O-N 3.37Å; I7-Q9 VanDerWaalsContact C-N 3.3Å; I7-Q9 PolarHBondContact O-N 3.28Å; Q9-T13 WeakPolarHBondContact O-CB 3.47Å; Q9-T13 PolarHBondContact O-N 3.44Å; Q9-T13 PolarHBondContact O-OG1 3.5Å |
| 10 | Q | 95.8 | Very high | 94 | Very high | 131 Ų | 131 | 108.1 Ų | 108.1 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -48.7 | 175.4 | -72.5 | 175 | -3.6 | 0 | 0 | 111.1 | Q6 I7 N12 T13 E14 | Q6-Q10 WeakPolarHBondContact O-CG 3.45Å; Q6-Q10 PolarHBondContact O-N 3.15Å; I7-Q10 WeakPolarHBondContact O-CB 3.47Å; I7-Q10 PolarHBondContact O-N 3.04Å; I7-Q10 VanDerWaalsContact O-N 3.17Å; Q10-N12 PolarHBondContact O-N 3.23Å; Q10-T13 WeakPolarHBondContact O-CB 3.32Å; Q10-T13 PolarHBondContact O-N 2.93Å; Q10-E14 PolarHBondContact O-N 3Å |
| 11 | H | 96.1 | Very high | 94.2 | Very high | 98 Ų | 98 | 106.7 Ų | 106.7 | 45% | 0.454 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 176.2 | -68.7 | -29.5 | 0 | 0 | 0 | 112.3 | I7 L8 T13 E14 L15 | I7-H11 VanDerWaalsContact CG2-NE2 3.32Å; I7-H11 WeakPolarHBondContact CG2-NE2 3.37Å; I7-H11 PolarHBondContact O-CD2 2.78Å; I7-H11 PolarHBondContact O-N 2.99Å; L8-H11 PolarHBondContact O-N 3.22Å; H11-T13 VanDerWaalsContact C-N 3.28Å; H11-T13 PolarHBondContact O-N 3.17Å; H11-E14 PolarHBondContact O-N 3.25Å; H11-L15 WeakPolarHBondContact O-CB 3.3Å; H11-L15 VanDerWaalsContact O-CG 3.23Å; H11-L15 WeakPolarHBondContact O-CG 3.38Å; H11-L15 PolarHBondContact O-N 3.43Å |
| 12 | N | 97.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 103.1 Ų | 103.1 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 177 | -73.4 | -12.9 | 0 | 0 | 0 | 112 | L8 Q10 V16 | L8-N12 WeakPolarHBondContact O-CB 3.49Å; L8-N12 PolarHBondContact O-N 3.35Å; L8-N12 PolarHBondContact O-ND2 3.46Å; Q10-N12 PolarHBondContact O-N 3.23Å; N12-V16 VanDerWaalsContact O-CG2 3.3Å; N12-V16 WeakPolarHBondContact O-CG2 3.36Å; N12-V16 PolarHBondContact O-N 2.9Å |
| 13 | T | 97.1 | Very high | 96.1 | Very high | 68 Ų | 68 | 96.4 Ų | 96.4 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.4 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | Q9 Q10 H11 K17 | Q9-T13 WeakPolarHBondContact O-CB 3.47Å; Q9-T13 PolarHBondContact O-N 3.44Å; Q9-T13 PolarHBondContact O-OG1 3.5Å; Q10-T13 WeakPolarHBondContact O-CB 3.32Å; Q10-T13 PolarHBondContact O-N 2.93Å; H11-T13 VanDerWaalsContact C-N 3.28Å; H11-T13 PolarHBondContact O-N 3.17Å; T13-K17 WeakPolarHBondContact O-CG 3.23Å; T13-K17 PolarHBondContact O-N 2.89Å |
| 14 | E | 97.5 | Very high | 96.6 | Very high | 119 Ų | 119 | 95.7 Ų | 95.7 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.5 | -42.2 | 177.2 | -171.8 | 172.6 | -163.3 | 0 | 0 | 112 | Q10 H11 V16 K17 L18 | Q10-E14 PolarHBondContact O-N 3Å; H11-E14 PolarHBondContact O-N 3.25Å; E14-V16 PolarHBondContact O-N 3.05Å; E14-K17 PolarHBondContact O-N 3.46Å; E14-L18 HydrophobicContact CG-CD1 4.21Å; E14-L18 WeakPolarHBondContact O-CG 3.39Å; E14-L18 PolarHBondContact O-N 3.28Å |
| 15 | L | 98 | Very high | 97 | Very high | 96 Ų | 96 | 97.5 Ų | 97.5 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 175.9 | -73.6 | 170.9 | 0 | 0 | 0 | 111.9 | H11 L18 I19 | H11-L15 WeakPolarHBondContact O-CB 3.3Å; H11-L15 VanDerWaalsContact O-CG 3.23Å; H11-L15 WeakPolarHBondContact O-CG 3.38Å; H11-L15 PolarHBondContact O-N 3.43Å; L15-L18 PolarHBondContact O-N 2.85Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.35Å; L15-I19 PolarHBondContact O-N 3.47Å |
| 16 | V | 98 | Very high | 97.3 | Very high | 77 Ų | 77 | 101.5 Ų | 101.5 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 177.6 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | N12 E14 L18 I19 E20 | N12-V16 VanDerWaalsContact O-CG2 3.3Å; N12-V16 WeakPolarHBondContact O-CG2 3.36Å; N12-V16 PolarHBondContact O-N 2.9Å; E14-V16 PolarHBondContact O-N 3.05Å; V16-L18 PolarHBondContact O-N 3.45Å; V16-I19 PolarHBondContact O-N 3.48Å; V16-E20 HydrophobicContact CG1-CG 4.41Å; V16-E20 WeakPolarHBondContact O-CG 3.32Å; V16-E20 PolarHBondContact O-N 2.92Å |
| 17 | K | 97.9 | Very high | 97.5 | Very high | 124 Ų | 124 | 99.6 Ų | 99.6 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 177.6 | -72.7 | 176 | 179.6 | -178.1 | 0 | 112.3 | T13 E14 I19 E20 D21 | T13-K17 WeakPolarHBondContact O-CG 3.23Å; T13-K17 PolarHBondContact O-N 2.89Å; E14-K17 PolarHBondContact O-N 3.46Å; K17-I19 VanDerWaalsContact C-N 3.34Å; K17-I19 PolarHBondContact O-N 2.95Å; K17-E20 PolarHBondContact O-N 3.31Å; K17-D21 PolarHBondContact O-N 3.37Å |
| 18 | L | 98 | Very high | 97.7 | Very high | 92 Ų | 92 | 103 Ų | 103 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 178.8 | -70.6 | 173.8 | 0 | 0 | 0 | 112.2 | E14 L15 V16 L22 | E14-L18 HydrophobicContact CG-CD1 4.21Å; E14-L18 WeakPolarHBondContact O-CG 3.39Å; E14-L18 PolarHBondContact O-N 3.28Å; L15-L18 PolarHBondContact O-N 2.85Å; V16-L18 PolarHBondContact O-N 3.45Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 3.27Å |
| 19 | I | 98.1 | Very high | 97.9 | Very high | 102 Ų | 102 | 103.4 Ų | 103.4 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 175.3 | -70 | 167.3 | 0 | 0 | 0 | 110.6 | L15 V16 K17 L22 C23 | L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.35Å; L15-I19 PolarHBondContact O-N 3.47Å; V16-I19 PolarHBondContact O-N 3.48Å; K17-I19 VanDerWaalsContact C-N 3.34Å; K17-I19 PolarHBondContact O-N 2.95Å; I19-L22 PolarHBondContact O-N 2.88Å; I19-C23 PolarHBondContact O-N 3.22Å; I19-C23 PolarHBondContact O-SG 3.41Å; I19-C23 VanDerWaalsContact O-SG 3.38Å |
| 20 | E | 98.2 | Very high | 98 | Very high | 106 Ų | 106 | 101.7 Ų | 101.7 | 50% | 0.495 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 176.2 | -74.8 | 175.8 | 177.2 | 0 | 0 | 111.5 | V16 K17 L22 C23 Q24 | V16-E20 HydrophobicContact CG1-CG 4.41Å; V16-E20 WeakPolarHBondContact O-CG 3.32Å; V16-E20 PolarHBondContact O-N 2.92Å; K17-E20 PolarHBondContact O-N 3.31Å; E20-L22 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 3.38Å; E20-C23 PolarHBondContact O-N 2.9Å; E20-Q24 WeakPolarHBondContact O-CG 3.26Å; E20-Q24 PolarHBondContact O-N 3.04Å |
| 21 | D | 98.3 | Very high | 98.1 | Very high | 79 Ų | 79 | 102 Ų | 102 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 176.3 | -75.5 | -12.3 | 0 | 0 | 0 | 112 | K17 Q24 K25 | K17-D21 PolarHBondContact O-N 3.37Å; D21-Q24 PolarHBondContact O-N 2.97Å; D21-K25 WeakPolarHBondContact O-CG 3.5Å; D21-K25 PolarHBondContact O-N 3.43Å |
| 22 | L | 98.6 | Very high | 98.2 | Very high | 118 Ų | 118 | 99.1 Ų | 99.1 | 62% | 0.618 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 176 | -73.7 | 172 | 0 | 0 | 0 | 111.8 | L18 I19 E20 K25 R26 | L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 3.27Å; I19-L22 PolarHBondContact O-N 2.88Å; E20-L22 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 3.38Å; L22-K25 PolarHBondContact O-N 2.93Å; L22-R26 WeakPolarHBondContact O-CB 3.35Å; L22-R26 PolarHBondContact O-N 3.09Å |
| 23 | C | 98.5 | Very high | 98.3 | Very high | 46 Ų | 46 | 99.2 Ų | 99.2 | 31% | 0.311 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 175.4 | -73 | 0 | 0 | 0 | 0 | 111.5 | I19 E20 K25 R26 D27 | I19-C23 PolarHBondContact O-N 3.22Å; I19-C23 PolarHBondContact O-SG 3.41Å; I19-C23 VanDerWaalsContact O-SG 3.38Å; E20-C23 PolarHBondContact O-N 2.9Å; C23-K25 PolarHBondContact O-N 3.42Å; C23-R26 PolarHBondContact O-N 3Å; C23-D27 WeakPolarHBondContact O-CB 3.49Å; C23-D27 PolarHBondContact O-N 3.49Å |
| 24 | Q | 98.5 | Very high | 98.4 | Very high | 109 Ų | 109 | 100.1 Ų | 100.1 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 177.1 | -72.2 | 179.4 | 15 | 0 | 0 | 112 | E20 D21 D27 Q28 | E20-Q24 WeakPolarHBondContact O-CG 3.26Å; E20-Q24 PolarHBondContact O-N 3.04Å; D21-Q24 PolarHBondContact O-N 2.97Å; Q24-D27 PolarHBondContact O-N 3.26Å; Q24-Q28 VanDerWaalsContact O-CG 3.32Å; Q24-Q28 WeakPolarHBondContact O-CG 3.43Å; Q24-Q28 PolarHBondContact O-N 3.31Å |
| 25 | K | 98.6 | Very high | 98.4 | Very high | 137 Ų | 137 | 100.9 Ų | 100.9 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 177 | -75.2 | 175.1 | -178.6 | 173.7 | 0 | 112.2 | D21 L22 C23 D27 Q28 L29 | D21-K25 WeakPolarHBondContact O-CG 3.5Å; D21-K25 PolarHBondContact O-N 3.43Å; L22-K25 PolarHBondContact O-N 2.93Å; C23-K25 PolarHBondContact O-N 3.42Å; K25-D27 VanDerWaalsContact C-N 3.33Å; K25-D27 PolarHBondContact O-N 3.33Å; K25-Q28 PolarHBondContact O-N 2.97Å; K25-L29 WeakPolarHBondContact O-CB 3.27Å; K25-L29 PolarHBondContact O-N 2.84Å |
| 26 | R | 98.7 | Very high | 98.5 | Very high | 145 Ų | 145 | 102.8 Ų | 102.8 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 174.1 | -179.5 | -158.7 | 65.4 | -158.9 | -5 | 110.9 | L22 C23 L29 Q30 | L22-R26 WeakPolarHBondContact O-CB 3.35Å; L22-R26 PolarHBondContact O-N 3.09Å; C23-R26 PolarHBondContact O-N 3Å; R26-L29 PolarHBondContact O-N 2.95Å; R26-Q30 WeakPolarHBondContact O-CB 3.45Å; R26-Q30 PolarHBondContact O-N 2.94Å |
| 27 | D | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 102.3 Ų | 102.3 | 40% | 0.396 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70 | -34.4 | -176.7 | -65 | -8.7 | 0 | 0 | 0 | 111.9 | C23 Q24 K25 K31 | C23-D27 WeakPolarHBondContact O-CB 3.49Å; C23-D27 PolarHBondContact O-N 3.49Å; Q24-D27 PolarHBondContact O-N 3.26Å; K25-D27 VanDerWaalsContact C-N 3.33Å; K25-D27 PolarHBondContact O-N 3.33Å; D27-K31 WeakPolarHBondContact O-CG 3.3Å; D27-K31 PolarHBondContact O-N 3.49Å; D27-K31 VanDerWaalsContact O-N 3.09Å |
| 28 | Q | 98.6 | Very high | 98.5 | Very high | 128 Ų | 128 | 100.1 Ų | 100.1 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -47.6 | 170.5 | -72.8 | 172.6 | 9.4 | 0 | 0 | 111.6 | Q24 K25 Q30 K31 A32 | Q24-Q28 VanDerWaalsContact O-CG 3.32Å; Q24-Q28 WeakPolarHBondContact O-CG 3.43Å; Q24-Q28 PolarHBondContact O-N 3.31Å; K25-Q28 PolarHBondContact O-N 2.97Å; Q28-Q30 VanDerWaalsContact C-N 3.32Å; Q28-Q30 PolarHBondContact O-N 3.45Å; Q28-K31 PolarHBondContact O-N 3.29Å; Q28-A32 PolarHBondContact O-N 3.08Å; Q28-A32 VanDerWaalsContact O-N 3.08Å |
| 29 | L | 98.6 | Very high | 98.5 | Very high | 109 Ų | 109 | 101.6 Ų | 101.6 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.5 | -41.9 | 176.8 | -179.8 | 62.5 | 0 | 0 | 0 | 111.4 | K25 R26 K31 A32 I33 | K25-L29 WeakPolarHBondContact O-CB 3.27Å; K25-L29 PolarHBondContact O-N 2.84Å; R26-L29 PolarHBondContact O-N 2.95Å; L29-K31 VanDerWaalsContact C-N 3.3Å; L29-K31 PolarHBondContact O-N 3.12Å; L29-A32 PolarHBondContact O-N 3.25Å; L29-I33 HydrophobicContact CD1-CD1 4.4Å; L29-I33 HydrophobicContact CD1-CG1 4.48Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 VanDerWaalsContact O-CG1 3.32Å; L29-I33 WeakPolarHBondContact O-CG1 3.44Å; L29-I33 PolarHBondContact O-N 2.92Å |
| 30 | Q | 98.6 | Very high | 98.6 | Very high | 97 Ų | 97 | 101.2 Ų | 101.2 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 177.9 | -176 | 58.7 | 63.5 | 0 | 0 | 112.2 | R26 Q28 I34 | R26-Q30 WeakPolarHBondContact O-CB 3.45Å; R26-Q30 PolarHBondContact O-N 2.94Å; Q28-Q30 VanDerWaalsContact C-N 3.32Å; Q28-Q30 PolarHBondContact O-N 3.45Å; Q30-I34 HydrophobicContact CG-CD1 4.29Å; Q30-I34 WeakPolarHBondContact O-CD1 3.37Å; Q30-I34 VanDerWaalsContact O-CG1 3.3Å; Q30-I34 WeakPolarHBondContact O-CG1 3.45Å; Q30-I34 PolarHBondContact O-N 2.98Å |
| 31 | K | 98.7 | Very high | 98.6 | Very high | 136 Ų | 136 | 99.4 Ų | 99.4 | 59% | 0.591 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.7 | -47.5 | 173.5 | -73.4 | 173.6 | -178.3 | -178.6 | 0 | 111.5 | D27 Q28 L29 I33 I34 E35 | D27-K31 WeakPolarHBondContact O-CG 3.3Å; D27-K31 PolarHBondContact O-N 3.49Å; D27-K31 VanDerWaalsContact O-N 3.09Å; Q28-K31 PolarHBondContact O-N 3.29Å; L29-K31 VanDerWaalsContact C-N 3.3Å; L29-K31 PolarHBondContact O-N 3.12Å; K31-I33 VanDerWaalsContact C-N 3.31Å; K31-I33 PolarHBondContact O-N 3.38Å; K31-I34 PolarHBondContact O-N 3.4Å; K31-I34 VanDerWaalsContact O-N 3.12Å; K31-E35 WeakPolarHBondContact O-CG 3.48Å; K31-E35 PolarHBondContact O-N 3.4Å |
| 32 | A | 98.6 | Very high | 98.6 | Very high | 39 Ų | 39 | 103.9 Ų | 103.9 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q28 L29 I34 E35 E36 | Q28-A32 PolarHBondContact O-N 3.08Å; Q28-A32 VanDerWaalsContact O-N 3.08Å; L29-A32 PolarHBondContact O-N 3.25Å; A32-I34 VanDerWaalsContact C-N 3.31Å; A32-I34 PolarHBondContact O-N 2.93Å; A32-E35 PolarHBondContact O-N 3.08Å; A32-E36 WeakPolarHBondContact O-CG 3.34Å; A32-E36 PolarHBondContact O-N 3.19Å |
| 33 | I | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 103 Ų | 103 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 175.4 | -71.3 | 167.1 | 0 | 0 | 0 | 111.5 | L29 K31 D37 | L29-I33 HydrophobicContact CD1-CD1 4.4Å; L29-I33 HydrophobicContact CD1-CG1 4.48Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 VanDerWaalsContact O-CG1 3.32Å; L29-I33 WeakPolarHBondContact O-CG1 3.44Å; L29-I33 PolarHBondContact O-N 2.92Å; K31-I33 VanDerWaalsContact C-N 3.31Å; K31-I33 PolarHBondContact O-N 3.38Å; I33-D37 WeakPolarHBondContact O-CB 3.46Å; I33-D37 PolarHBondContact O-N 2.95Å |
| 34 | I | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 106.1 Ų | 106.1 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 179.4 | -68.1 | 164.1 | 0 | 0 | 0 | 110.5 | Q30 K31 A32 D37 D38 | Q30-I34 HydrophobicContact CG-CD1 4.29Å; Q30-I34 WeakPolarHBondContact O-CD1 3.37Å; Q30-I34 VanDerWaalsContact O-CG1 3.3Å; Q30-I34 WeakPolarHBondContact O-CG1 3.45Å; Q30-I34 PolarHBondContact O-N 2.98Å; K31-I34 PolarHBondContact O-N 3.4Å; K31-I34 VanDerWaalsContact O-N 3.12Å; A32-I34 VanDerWaalsContact C-N 3.31Å; A32-I34 PolarHBondContact O-N 2.93Å; I34-D37 PolarHBondContact O-N 3.24Å; I34-D38 WeakPolarHBondContact O-CB 3.33Å; I34-D38 PolarHBondContact O-N 3.4Å |
| 35 | E | 98.6 | Very high | 98.6 | Very high | 136 Ų | 136 | 105.5 Ų | 105.5 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 178.2 | -71.2 | 172 | -175.4 | 0 | 0 | 111.8 | K31 A32 D38 E39 | K31-E35 WeakPolarHBondContact O-CG 3.48Å; K31-E35 PolarHBondContact O-N 3.4Å; A32-E35 PolarHBondContact O-N 3.08Å; E35-D38 PolarHBondContact O-N 3.02Å; E35-E39 PolarHBondContact O-N 3.15Å |
| 36 | E | 98.6 | Very high | 98.6 | Very high | 136 Ų | 136 | 103 Ų | 103 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67 | -38.4 | 176.2 | -73.3 | -174.9 | -176.1 | 0 | 0 | 112.6 | A32 E39 K40 | A32-E36 WeakPolarHBondContact O-CG 3.34Å; A32-E36 PolarHBondContact O-N 3.19Å; E36-E39 PolarHBondContact O-N 3.46Å; E36-K40 WeakPolarHBondContact O-CB 3.32Å; E36-K40 PolarHBondContact O-N 3.47Å |
| 37 | D | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 102.2 Ų | 102.2 | 35% | 0.353 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 176.7 | -164.5 | 72.5 | 0 | 0 | 0 | 111.5 | I33 I34 K40 N41 | I33-D37 WeakPolarHBondContact O-CB 3.46Å; I33-D37 PolarHBondContact O-N 2.95Å; I34-D37 PolarHBondContact O-N 3.24Å; D37-K40 PolarHBondContact O-N 3.33Å; D37-K40 WeakPolarHBondContact OD1-CE 3.41Å; D37-K40 IonicContact OD1-NZ 2.61Å; D37-K40 PolarHBondContact OD1-NZ 3.03Å; D37-N41 WeakPolarHBondContact O-CB 3.42Å; D37-N41 PolarHBondContact O-N 3.39Å; D37-N41 PolarHBondContact O-ND2 2.9Å; D37-N41 PolarHBondContact OD2-ND2 3.34Å |
| 38 | D | 98.6 | Very high | 98.6 | Very high | 79 Ų | 79 | 104.5 Ų | 104.5 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.4 | -83.2 | -12.8 | 0 | 0 | 0 | 111.9 | I34 E35 N41 R42 | I34-D38 WeakPolarHBondContact O-CB 3.33Å; I34-D38 PolarHBondContact O-N 3.4Å; E35-D38 PolarHBondContact O-N 3.02Å; D38-N41 PolarHBondContact O-N 2.87Å; D38-R42 WeakPolarHBondContact O-CG 3.49Å; D38-R42 PolarHBondContact O-N 2.96Å; D38-R42 VanDerWaalsContact O-N 3.08Å |
| 39 | E | 98.5 | Very high | 98.6 | Very high | 122 Ų | 122 | 100.8 Ų | 100.8 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.7 | -46.1 | 175.2 | -175.3 | 174.2 | -173.1 | 0 | 0 | 111.5 | E35 E36 N41 R42 L43 | E35-E39 PolarHBondContact O-N 3.15Å; E36-E39 PolarHBondContact O-N 3.46Å; E39-N41 VanDerWaalsContact C-N 3.29Å; E39-N41 PolarHBondContact O-N 3.05Å; E39-R42 WeakPolarHBondContact O-CB 3.34Å; E39-R42 PolarHBondContact O-N 3.4Å; E39-R42 VanDerWaalsContact O-N 3.15Å; E39-L43 HydrophobicContact CG-CD1 4.18Å; E39-L43 HydrophobicContact CG-CG 4.47Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.14Å |
| 40 | K | 98.6 | Very high | 98.6 | Very high | 94 Ų | 94 | 100.8 Ų | 100.8 | 41% | 0.409 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.1 | -44.9 | 175.5 | -177.1 | -165.5 | 74.1 | -161.7 | 0 | 111.2 | E36 D37 R42 L43 Q44 | E36-K40 WeakPolarHBondContact O-CB 3.32Å; E36-K40 PolarHBondContact O-N 3.47Å; D37-K40 PolarHBondContact O-N 3.33Å; D37-K40 WeakPolarHBondContact OD1-CE 3.41Å; D37-K40 IonicContact OD1-NZ 2.61Å; D37-K40 PolarHBondContact OD1-NZ 3.03Å; K40-R42 VanDerWaalsContact C-N 3.34Å; K40-R42 PolarHBondContact O-N 2.9Å; K40-L43 PolarHBondContact O-N 2.95Å; K40-Q44 WeakPolarHBondContact O-CB 3.37Å; K40-Q44 WeakPolarHBondContact O-CG 3.47Å; K40-Q44 PolarHBondContact O-N 3.35Å |
| 41 | N | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 99.3 Ų | 99.3 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 180 | -68.8 | -29.9 | 0 | 0 | 0 | 111.6 | D37 D38 E39 H45 | D37-N41 WeakPolarHBondContact O-CB 3.42Å; D37-N41 PolarHBondContact O-N 3.39Å; D37-N41 PolarHBondContact O-ND2 2.9Å; D37-N41 PolarHBondContact OD2-ND2 3.34Å; D38-N41 PolarHBondContact O-N 2.87Å; E39-N41 VanDerWaalsContact C-N 3.29Å; E39-N41 PolarHBondContact O-N 3.05Å; N41-H45 PolarHBondContact O-N 2.98Å |
| 42 | R | 98.6 | Very high | 98.6 | Very high | 172 Ų | 172 | 96.9 Ų | 96.9 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.1 | -47.4 | 173.1 | -69.1 | 173.3 | -166.8 | -173.8 | 6.4 | 111.7 | D38 E39 K40 Q44 H45 D46 | D38-R42 WeakPolarHBondContact O-CG 3.49Å; D38-R42 PolarHBondContact O-N 2.96Å; D38-R42 VanDerWaalsContact O-N 3.08Å; E39-R42 WeakPolarHBondContact O-CB 3.34Å; E39-R42 PolarHBondContact O-N 3.4Å; E39-R42 VanDerWaalsContact O-N 3.15Å; K40-R42 VanDerWaalsContact C-N 3.34Å; K40-R42 PolarHBondContact O-N 2.9Å; R42-Q44 VanDerWaalsContact C-N 3.32Å; R42-Q44 PolarHBondContact O-N 2.61Å; R42-H45 WeakPolarHBondContact O-CB 3.41Å; R42-H45 PolarHBondContact O-N 2.92Å; R42-H45 VanDerWaalsContact O-N 3.14Å; R42-D46 PolarHBondContact O-N 3.3Å |
| 43 | L | 98.7 | Very high | 98.6 | Very high | 101 Ų | 101 | 101.2 Ų | 101.2 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 178.1 | -69.7 | 173.7 | 0 | 0 | 0 | 112.3 | E39 K40 D46 M47 | E39-L43 HydrophobicContact CG-CD1 4.18Å; E39-L43 HydrophobicContact CG-CG 4.47Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.14Å; K40-L43 PolarHBondContact O-N 2.95Å; L43-D46 PolarHBondContact O-N 3.46Å; L43-M47 VanDerWaalsContact O-CB 3.32Å; L43-M47 WeakPolarHBondContact O-CB 3.39Å; L43-M47 PolarHBondContact O-N 3.5Å |
| 44 | Q | 98.6 | Very high | 98.6 | Very high | 111 Ų | 111 | 102 Ų | 102 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 174.4 | -75.3 | -178.9 | -7.2 | 0 | 0 | 112.2 | K40 R42 M47 R48 | K40-Q44 WeakPolarHBondContact O-CB 3.37Å; K40-Q44 WeakPolarHBondContact O-CG 3.47Å; K40-Q44 PolarHBondContact O-N 3.35Å; R42-Q44 VanDerWaalsContact C-N 3.32Å; R42-Q44 PolarHBondContact O-N 2.61Å; Q44-M47 PolarHBondContact O-N 2.88Å; Q44-R48 PolarHBondContact O-N 3.35Å; Q44-R48 VanDerWaalsContact O-N 3.1Å |
| 45 | H | 98.5 | Very high | 98.6 | Very high | 96 Ų | 96 | 100.6 Ų | 100.6 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 175.3 | -174.8 | 83.3 | 0 | 0 | 0 | 111.9 | N41 R42 R48 I49 | N41-H45 PolarHBondContact O-N 2.98Å; R42-H45 WeakPolarHBondContact O-CB 3.41Å; R42-H45 PolarHBondContact O-N 2.92Å; R42-H45 VanDerWaalsContact O-N 3.14Å; H45-R48 PolarHBondContact CE1-NH2 3.23Å; H45-R48 VanDerWaalsContact CE1-NH2 3.3Å; H45-R48 WeakPolarHBondContact O-CB 3.42Å; H45-R48 PolarHBondContact O-N 3.3Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.33Å; H45-I49 PolarHBondContact O-N 3.11Å; H45-I49 VanDerWaalsContact O-N 3.11Å |
| 46 | D | 98.5 | Very high | 98.6 | Very high | 83 Ų | 83 | 101.3 Ų | 101.3 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 178.2 | -72.7 | -18 | 0 | 0 | 0 | 111.7 | R42 L43 R48 I49 I50 | R42-D46 PolarHBondContact O-N 3.3Å; L43-D46 PolarHBondContact O-N 3.46Å; D46-R48 VanDerWaalsContact C-N 3.28Å; D46-R48 PolarHBondContact O-N 3.1Å; D46-I49 PolarHBondContact O-N 3.49Å; D46-I49 VanDerWaalsContact O-N 3.15Å; D46-I50 WeakPolarHBondContact O-CG1 3.42Å; D46-I50 PolarHBondContact O-N 2.9Å |
| 47 | M | 98.5 | Very high | 98.6 | Very high | 129 Ų | 129 | 100 Ų | 100 | 64% | 0.635 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.6 | -41.3 | 174.9 | -174.9 | 178.1 | -68.7 | 0 | 0 | 111.6 | L43 Q44 I50 S51 | L43-M47 VanDerWaalsContact O-CB 3.32Å; L43-M47 WeakPolarHBondContact O-CB 3.39Å; L43-M47 PolarHBondContact O-N 3.5Å; Q44-M47 PolarHBondContact O-N 2.88Å; M47-I50 PolarHBondContact O-N 3.41Å; M47-S51 VanDerWaalsContact O-CB 3.31Å; M47-S51 WeakPolarHBondContact O-CB 3.41Å; M47-S51 PolarHBondContact O-N 3.01Å; M47-S51 PolarHBondContact O-OG 3.15Å |
| 48 | R | 98.5 | Very high | 98.6 | Very high | 123 Ų | 123 | 100.9 Ų | 100.9 | 46% | 0.464 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 174.7 | -173.9 | -174.1 | 62.6 | 86.9 | 1.4 | 111.6 | Q44 H45 D46 I50 S51 E52 | Q44-R48 PolarHBondContact O-N 3.35Å; Q44-R48 VanDerWaalsContact O-N 3.1Å; H45-R48 PolarHBondContact CE1-NH2 3.23Å; H45-R48 VanDerWaalsContact CE1-NH2 3.3Å; H45-R48 WeakPolarHBondContact O-CB 3.42Å; H45-R48 PolarHBondContact O-N 3.3Å; D46-R48 VanDerWaalsContact C-N 3.28Å; D46-R48 PolarHBondContact O-N 3.1Å; R48-I50 PolarHBondContact O-N 2.68Å; R48-S51 PolarHBondContact O-N 3.32Å; R48-E52 IonicContact CZ-OE1 3.46Å; R48-E52 IonicContact NH1-OE1 3.37Å; R48-E52 PolarHBondContact NH1-OE1 3.46Å; R48-E52 IonicContact NH1-OE2 3.39Å; R48-E52 WeakPolarHBondContact O-CG 3.43Å; R48-E52 PolarHBondContact O-N 2.85Å |
| 49 | I | 98.6 | Very high | 98.6 | Very high | 49 Ų | 49 | 101.1 Ų | 101.1 | 25% | 0.251 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 178.8 | -68.1 | 171.6 | 0 | 0 | 0 | 111.2 | H45 D46 S51 E52 K53 | H45-I49 WeakPolarHBondContact NE2-CD1 3.33Å; H45-I49 PolarHBondContact O-N 3.11Å; H45-I49 VanDerWaalsContact O-N 3.11Å; D46-I49 PolarHBondContact O-N 3.49Å; D46-I49 VanDerWaalsContact O-N 3.15Å; I49-S51 VanDerWaalsContact C-N 3.33Å; I49-E52 PolarHBondContact O-N 3.24Å; I49-K53 HydrophobicContact CG2-CD 4.15Å; I49-K53 WeakPolarHBondContact O-CG 3.38Å; I49-K53 PolarHBondContact O-N 3.37Å |
| 50 | I | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 97.5 Ų | 97.5 | 56% | 0.559 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 179 | -68.3 | 167.3 | 0 | 0 | 0 | 110.3 | D46 M47 R48 E52 K53 L54 | D46-I50 WeakPolarHBondContact O-CG1 3.42Å; D46-I50 PolarHBondContact O-N 2.9Å; M47-I50 PolarHBondContact O-N 3.41Å; R48-I50 PolarHBondContact O-N 2.68Å; I50-E52 PolarHBondContact O-N 2.98Å; I50-K53 PolarHBondContact O-N 2.97Å; I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 PolarHBondContact O-N 2.93Å |
| 51 | S | 98.7 | Very high | 98.6 | Very high | 66 Ų | 66 | 97.4 Ų | 97.4 | 46% | 0.462 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | M47 R48 I49 L54 A55 | M47-S51 VanDerWaalsContact O-CB 3.31Å; M47-S51 WeakPolarHBondContact O-CB 3.41Å; M47-S51 PolarHBondContact O-N 3.01Å; M47-S51 PolarHBondContact O-OG 3.15Å; R48-S51 PolarHBondContact O-N 3.32Å; I49-S51 VanDerWaalsContact C-N 3.33Å; S51-L54 PolarHBondContact O-N 2.73Å; S51-A55 WeakPolarHBondContact O-CB 3.38Å; S51-A55 PolarHBondContact O-N 3.39Å |
| 52 | E | 98.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 40% | 0.397 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 174.9 | -72.8 | 172.4 | -164.3 | 0 | 0 | 112.4 | R48 I49 I50 A55 K56 | R48-E52 IonicContact CZ-OE1 3.46Å; R48-E52 IonicContact NH1-OE1 3.37Å; R48-E52 PolarHBondContact NH1-OE1 3.46Å; R48-E52 IonicContact NH1-OE2 3.39Å; R48-E52 WeakPolarHBondContact O-CG 3.43Å; R48-E52 PolarHBondContact O-N 2.85Å; I49-E52 PolarHBondContact O-N 3.24Å; I50-E52 PolarHBondContact O-N 2.98Å; E52-A55 PolarHBondContact O-N 3.22Å; E52-K56 WeakPolarHBondContact O-CG 3.31Å; E52-K56 PolarHBondContact O-N 3.34Å; E52-K56 VanDerWaalsContact O-N 3.07Å |
| 53 | K | 98.7 | Very high | 98.6 | Very high | 131 Ų | 131 | 94.8 Ų | 94.8 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 175.5 | -74.5 | 175.2 | 179.2 | 177 | 0 | 111.3 | I49 I50 K56 I57 | I49-K53 HydrophobicContact CG2-CD 4.15Å; I49-K53 WeakPolarHBondContact O-CG 3.38Å; I49-K53 PolarHBondContact O-N 3.37Å; I50-K53 PolarHBondContact O-N 2.97Å; K53-K56 PolarHBondContact O-N 2.93Å; K53-I57 WeakPolarHBondContact O-CG1 3.39Å; K53-I57 PolarHBondContact O-N 3.27Å |
| 54 | L | 98.7 | Very high | 98.6 | Very high | 97 Ų | 97 | 96.6 Ų | 96.6 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 177.4 | -178.6 | 61.4 | 0 | 0 | 0 | 111.2 | I50 S51 K56 I57 N58 | I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 PolarHBondContact O-N 2.93Å; S51-L54 PolarHBondContact O-N 2.73Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 3.07Å; L54-I57 PolarHBondContact O-N 3.44Å; L54-N58 WeakPolarHBondContact O-CB 3.47Å; L54-N58 PolarHBondContact O-N 3.48Å; L54-N58 PolarHBondContact O-ND2 3.49Å |
| 55 | A | 98.7 | Very high | 98.6 | Very high | 58 Ų | 58 | 95.2 Ų | 95.2 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S51 E52 I57 N58 D59 | S51-A55 WeakPolarHBondContact O-CB 3.38Å; S51-A55 PolarHBondContact O-N 3.39Å; E52-A55 PolarHBondContact O-N 3.22Å; A55-I57 PolarHBondContact O-N 2.89Å; A55-N58 PolarHBondContact O-N 3.02Å; A55-D59 PolarHBondContact O-N 3.01Å |
| 56 | K | 98.7 | Very high | 98.6 | Very high | 151 Ų | 151 | 94.9 Ų | 94.9 | 66% | 0.657 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 175.4 | -73 | 174.5 | -179 | 175.7 | 0 | 112.5 | E52 K53 L54 S60 | E52-K56 WeakPolarHBondContact O-CG 3.31Å; E52-K56 PolarHBondContact O-N 3.34Å; E52-K56 VanDerWaalsContact O-N 3.07Å; K53-K56 PolarHBondContact O-N 2.93Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 3.07Å; K56-S60 WeakPolarHBondContact O-CB 3.33Å; K56-S60 PolarHBondContact O-N 3.43Å |
| 57 | I | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 94.6 Ų | 94.6 | 55% | 0.554 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 177 | -70.3 | 169.3 | 0 | 0 | 0 | 110.5 | K53 L54 A55 D59 S60 L61 | K53-I57 WeakPolarHBondContact O-CG1 3.39Å; K53-I57 PolarHBondContact O-N 3.27Å; L54-I57 PolarHBondContact O-N 3.44Å; A55-I57 PolarHBondContact O-N 2.89Å; I57-D59 PolarHBondContact O-N 3.49Å; I57-S60 PolarHBondContact O-N 3.39Å; I57-L61 VanDerWaalsContact O-CB 3.29Å; I57-L61 WeakPolarHBondContact O-CB 3.27Å; I57-L61 PolarHBondContact O-N 2.79Å |
| 58 | N | 98.7 | Very high | 98.7 | Very high | 86 Ų | 86 | 94.5 Ų | 94.5 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 179 | -74.9 | -19.8 | 0 | 0 | 0 | 112.1 | L54 A55 L61 S62 | L54-N58 WeakPolarHBondContact O-CB 3.47Å; L54-N58 PolarHBondContact O-N 3.48Å; L54-N58 PolarHBondContact O-ND2 3.49Å; A55-N58 PolarHBondContact O-N 3.02Å; N58-L61 PolarHBondContact O-N 3.48Å; N58-S62 WeakPolarHBondContact O-CB 3.35Å; N58-S62 PolarHBondContact O-N 2.89Å |
| 59 | D | 98.6 | Very high | 98.7 | Very high | 84 Ų | 84 | 92.6 Ų | 92.6 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 174.5 | 175.4 | 63.4 | 0 | 0 | 0 | 111.6 | A55 I57 L61 S62 K63 | A55-D59 PolarHBondContact O-N 3.01Å; I57-D59 PolarHBondContact O-N 3.49Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.24Å; D59-S62 PolarHBondContact O-N 2.89Å; D59-K63 WeakPolarHBondContact O-CG 3.36Å; D59-K63 PolarHBondContact O-N 3.43Å; D59-K63 VanDerWaalsContact OD1-CE 3.27Å; D59-K63 WeakPolarHBondContact OD1-CE 3.29Å; D59-K63 IonicContact OD1-NZ 3.86Å; D59-K63 PolarHBondContact OD1-NZ 3.26Å; D59-K63 WeakPolarHBondContact OD2-CE 3.48Å; D59-K63 IonicContact OD2-NZ 2.7Å; D59-K63 PolarHBondContact OD2-NZ 2.67Å |
| 60 | S | 98.7 | Very high | 98.7 | Very high | 46 Ų | 46 | 93.7 Ų | 93.7 | 32% | 0.322 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | K56 I57 K64 | K56-S60 WeakPolarHBondContact O-CB 3.33Å; K56-S60 PolarHBondContact O-N 3.43Å; I57-S60 PolarHBondContact O-N 3.39Å; S60-K64 VanDerWaalsContact O-CG 3.3Å; S60-K64 WeakPolarHBondContact O-CG 3.05Å; S60-K64 PolarHBondContact O-N 3.03Å |
| 61 | L | 98.7 | Very high | 98.7 | Very high | 92 Ų | 92 | 96 Ų | 96 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 179.9 | -176.9 | 61.4 | 0 | 0 | 0 | 110.9 | I57 N58 D59 K63 K64 L65 | I57-L61 VanDerWaalsContact O-CB 3.29Å; I57-L61 WeakPolarHBondContact O-CB 3.27Å; I57-L61 PolarHBondContact O-N 2.79Å; N58-L61 PolarHBondContact O-N 3.48Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.24Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 3.2Å; L61-K64 PolarHBondContact O-N 3.43Å; L61-L65 HydrophobicContact CG-CD1 4.23Å; L61-L65 WeakPolarHBondContact O-CG 3.3Å; L61-L65 PolarHBondContact O-N 2.92Å |
| 62 | S | 98.7 | Very high | 98.7 | Very high | 67 Ų | 67 | 96.1 Ų | 96.1 | 47% | 0.469 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.3 | -48.9 | 174.7 | -177 | 0 | 0 | 0 | 0 | 111.4 | N58 D59 K64 L65 V66 | N58-S62 WeakPolarHBondContact O-CB 3.35Å; N58-S62 PolarHBondContact O-N 2.89Å; D59-S62 PolarHBondContact O-N 2.89Å; S62-K64 PolarHBondContact O-N 3.43Å; S62-L65 PolarHBondContact O-N 3.42Å; S62-V66 WeakPolarHBondContact O-CG2 3.38Å; S62-V66 PolarHBondContact O-N 3.46Å |
| 63 | K | 98.7 | Very high | 98.7 | Very high | 119 Ų | 119 | 98.3 Ų | 98.3 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 176.1 | -71.6 | 168.8 | 179 | 167.2 | 0 | 112.5 | D59 L61 L65 V66 V67 | D59-K63 WeakPolarHBondContact O-CG 3.36Å; D59-K63 PolarHBondContact O-N 3.43Å; D59-K63 VanDerWaalsContact OD1-CE 3.27Å; D59-K63 WeakPolarHBondContact OD1-CE 3.29Å; D59-K63 IonicContact OD1-NZ 3.86Å; D59-K63 PolarHBondContact OD1-NZ 3.26Å; D59-K63 WeakPolarHBondContact OD2-CE 3.48Å; D59-K63 IonicContact OD2-NZ 2.7Å; D59-K63 PolarHBondContact OD2-NZ 2.67Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 3.2Å; K63-L65 VanDerWaalsContact C-N 3.35Å; K63-L65 PolarHBondContact O-N 3.36Å; K63-V66 PolarHBondContact O-N 2.7Å; K63-V67 WeakPolarHBondContact O-CG2 3.37Å; K63-V67 PolarHBondContact O-N 3.46Å |
| 64 | K | 98.8 | Very high | 98.7 | Very high | 139 Ų | 139 | 94.2 Ų | 94.2 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.8 | -40 | 177.8 | -74.2 | 174.5 | -177.4 | -179.6 | 0 | 112.1 | S60 L61 S62 V67 R68 | S60-K64 VanDerWaalsContact O-CG 3.3Å; S60-K64 WeakPolarHBondContact O-CG 3.05Å; S60-K64 PolarHBondContact O-N 3.03Å; L61-K64 PolarHBondContact O-N 3.43Å; S62-K64 PolarHBondContact O-N 3.43Å; K64-V67 PolarHBondContact O-N 3.06Å; K64-R68 WeakPolarHBondContact O-CB 3.38Å; K64-R68 PolarHBondContact O-N 3.41Å |
| 65 | L | 98.7 | Very high | 98.7 | Very high | 82 Ų | 82 | 93.7 Ų | 93.7 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 176.9 | -74.5 | 170.4 | 0 | 0 | 0 | 111.6 | L61 S62 K63 R68 N69 | L61-L65 HydrophobicContact CG-CD1 4.23Å; L61-L65 WeakPolarHBondContact O-CG 3.3Å; L61-L65 PolarHBondContact O-N 2.92Å; S62-L65 PolarHBondContact O-N 3.42Å; K63-L65 VanDerWaalsContact C-N 3.35Å; K63-L65 PolarHBondContact O-N 3.36Å; L65-R68 PolarHBondContact O-N 3.03Å; L65-N69 WeakPolarHBondContact O-CB 3.42Å; L65-N69 PolarHBondContact O-N 3.16Å; L65-N69 PolarHBondContact O-OD1 3.32Å |
| 66 | V | 98.7 | Very high | 98.7 | Very high | 88 Ų | 88 | 93.4 Ų | 93.4 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | S62 K63 R68 N69 S70 | S62-V66 WeakPolarHBondContact O-CG2 3.38Å; S62-V66 PolarHBondContact O-N 3.46Å; K63-V66 PolarHBondContact O-N 2.7Å; V66-R68 PolarHBondContact O-N 3.23Å; V66-N69 PolarHBondContact O-N 3.05Å; V66-S70 PolarHBondContact O-N 3.13Å; V66-S70 PolarHBondContact O-OG 3.43Å |
| 67 | V | 98.7 | Very high | 98.7 | Very high | 78 Ų | 78 | 91.1 Ų | 91.1 | 47% | 0.473 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 178.8 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | K63 K64 N69 S70 Y71 | K63-V67 WeakPolarHBondContact O-CG2 3.37Å; K63-V67 PolarHBondContact O-N 3.46Å; K64-V67 PolarHBondContact O-N 3.06Å; V67-N69 VanDerWaalsContact C-N 3.33Å; V67-N69 PolarHBondContact O-N 3.37Å; V67-S70 WeakPolarHBondContact O-CB 3.26Å; V67-S70 PolarHBondContact O-N 3.06Å; V67-S70 VanDerWaalsContact O-N 3.13Å; V67-Y71 HydrophobicContact CG1-CD2 3.85Å; V67-Y71 HydrophobicContact CG1-CE2 3.51Å; V67-Y71 VanDerWaalsContact O-CD2 3.26Å; V67-Y71 WeakPolarHBondContact O-CD2 3.46Å; V67-Y71 PolarHBondContact O-N 3.21Å |
| 68 | R | 98.7 | Very high | 98.7 | Very high | 126 Ų | 126 | 89.7 Ų | 89.7 | 48% | 0.475 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 175.9 | -172.6 | -77.7 | -58.1 | -148.8 | -8 | 111.1 | K64 L65 V66 S70 Y71 D72 | K64-R68 WeakPolarHBondContact O-CB 3.38Å; K64-R68 PolarHBondContact O-N 3.41Å; L65-R68 PolarHBondContact O-N 3.03Å; V66-R68 PolarHBondContact O-N 3.23Å; R68-S70 VanDerWaalsContact C-N 3.25Å; R68-S70 PolarHBondContact O-N 3.35Å; R68-Y71 WeakPolarHBondContact O-CB 3.26Å; R68-Y71 PolarHBondContact O-N 2.91Å; R68-Y71 VanDerWaalsContact O-N 3.08Å; R68-D72 WeakPolarHBondContact CD-OD2 3.39Å; R68-D72 IonicContact CZ-OD2 3.69Å; R68-D72 IonicContact NE-OD2 3.76Å; R68-D72 PolarHBondContact NE-OD2 3.04Å; R68-D72 IonicContact NH1-OD2 2.68Å; R68-D72 PolarHBondContact NH1-OD2 2.86Å; R68-D72 PolarHBondContact O-N 3.27Å |
| 69 | N | 98.6 | Very high | 98.7 | Very high | 83 Ų | 83 | 91.5 Ų | 91.5 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -33.7 | 177.7 | -66.5 | -7.4 | 0 | 0 | 0 | 112.1 | L65 V66 V67 D72 K73 | L65-N69 WeakPolarHBondContact O-CB 3.42Å; L65-N69 PolarHBondContact O-N 3.16Å; L65-N69 PolarHBondContact O-OD1 3.32Å; V66-N69 PolarHBondContact O-N 3.05Å; V67-N69 VanDerWaalsContact C-N 3.33Å; V67-N69 PolarHBondContact O-N 3.37Å; N69-D72 PolarHBondContact O-N 2.93Å; N69-K73 WeakPolarHBondContact O-CB 3.42Å; N69-K73 PolarHBondContact O-N 2.75Å |
| 70 | S | 98.6 | Very high | 98.7 | Very high | 73 Ų | 73 | 93.4 Ų | 93.4 | 51% | 0.51 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 172.4 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | V66 V67 R68 K73 A74 | V66-S70 PolarHBondContact O-N 3.13Å; V66-S70 PolarHBondContact O-OG 3.43Å; V67-S70 WeakPolarHBondContact O-CB 3.26Å; V67-S70 PolarHBondContact O-N 3.06Å; V67-S70 VanDerWaalsContact O-N 3.13Å; R68-S70 VanDerWaalsContact C-N 3.25Å; R68-S70 PolarHBondContact O-N 3.35Å; S70-K73 PolarHBondContact O-N 3.41Å; S70-A74 WeakPolarHBondContact O-CB 3.48Å; S70-A74 PolarHBondContact O-N 2.99Å |
| 71 | Y | 98.7 | Very high | 98.6 | Very high | 156 Ų | 156 | 93.7 Ų | 93.7 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -46.9 | 172.6 | -78.4 | -69.5 | 0 | 0 | 0 | 111.9 | V67 R68 K73 A74 I75 | V67-Y71 HydrophobicContact CG1-CD2 3.85Å; V67-Y71 HydrophobicContact CG1-CE2 3.51Å; V67-Y71 VanDerWaalsContact O-CD2 3.26Å; V67-Y71 WeakPolarHBondContact O-CD2 3.46Å; V67-Y71 PolarHBondContact O-N 3.21Å; R68-Y71 WeakPolarHBondContact O-CB 3.26Å; R68-Y71 PolarHBondContact O-N 2.91Å; R68-Y71 VanDerWaalsContact O-N 3.08Å; Y71-K73 VanDerWaalsContact C-N 3.26Å; Y71-K73 PolarHBondContact O-N 3.48Å; Y71-A74 PolarHBondContact O-N 3.08Å; Y71-A74 VanDerWaalsContact O-N 3.16Å; Y71-I75 WeakPolarHBondContact O-CB 3.48Å; Y71-I75 VanDerWaalsContact O-CG1 3.26Å; Y71-I75 WeakPolarHBondContact O-CG1 3.35Å; Y71-I75 PolarHBondContact O-N 3.32Å |
| 72 | D | 98.8 | Very high | 98.6 | Very high | 70 Ų | 70 | 97 Ų | 97 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.9 | -43.5 | 178.1 | -71.1 | -10.9 | 0 | 0 | 0 | 111.1 | R68 N69 I75 A76 | R68-D72 WeakPolarHBondContact CD-OD2 3.39Å; R68-D72 IonicContact CZ-OD2 3.69Å; R68-D72 IonicContact NE-OD2 3.76Å; R68-D72 PolarHBondContact NE-OD2 3.04Å; R68-D72 IonicContact NH1-OD2 2.68Å; R68-D72 PolarHBondContact NH1-OD2 2.86Å; R68-D72 PolarHBondContact O-N 3.27Å; N69-D72 PolarHBondContact O-N 2.93Å; D72-I75 PolarHBondContact O-N 3.27Å; D72-A76 WeakPolarHBondContact O-CB 3.46Å; D72-A76 PolarHBondContact O-N 3.43Å |
| 73 | K | 98.7 | Very high | 98.6 | Very high | 131 Ų | 131 | 97.3 Ų | 97.3 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -49.2 | 175.6 | -178.3 | 175.5 | 173.1 | 179.5 | 0 | 111.9 | N69 S70 Y71 I75 A76 E77 | N69-K73 WeakPolarHBondContact O-CB 3.42Å; N69-K73 PolarHBondContact O-N 2.75Å; S70-K73 PolarHBondContact O-N 3.41Å; Y71-K73 VanDerWaalsContact C-N 3.26Å; Y71-K73 PolarHBondContact O-N 3.48Å; K73-I75 VanDerWaalsContact C-N 3.31Å; K73-I75 PolarHBondContact O-N 3.45Å; K73-A76 PolarHBondContact O-N 3.47Å; K73-E77 WeakPolarHBondContact CE-OE1 3.41Å; K73-E77 HydrophobicContact CG-CG 4.46Å; K73-E77 IonicContact NZ-OE1 2.73Å; K73-E77 WeakPolarHBondContact O-CB 3.5Å; K73-E77 WeakPolarHBondContact O-CG 3.3Å; K73-E77 PolarHBondContact O-N 2.98Å |
| 74 | A | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 97.3 Ų | 97.3 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S70 Y71 S78 | S70-A74 WeakPolarHBondContact O-CB 3.48Å; S70-A74 PolarHBondContact O-N 2.99Å; Y71-A74 PolarHBondContact O-N 3.08Å; Y71-A74 VanDerWaalsContact O-N 3.16Å; A74-S78 VanDerWaalsContact O-CB 3.3Å; A74-S78 WeakPolarHBondContact O-CB 3.39Å; A74-S78 PolarHBondContact O-N 2.93Å; A74-S78 PolarHBondContact O-OG 2.96Å |
| 75 | I | 98.7 | Very high | 98.6 | Very high | 86 Ų | 86 | 96 Ų | 96 | 44% | 0.441 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -49.4 | 175.1 | -69.7 | 165.5 | 0 | 0 | 0 | 110 | Y71 D72 K73 E77 S78 Q79 | Y71-I75 WeakPolarHBondContact O-CB 3.48Å; Y71-I75 VanDerWaalsContact O-CG1 3.26Å; Y71-I75 WeakPolarHBondContact O-CG1 3.35Å; Y71-I75 PolarHBondContact O-N 3.32Å; D72-I75 PolarHBondContact O-N 3.27Å; K73-I75 VanDerWaalsContact C-N 3.31Å; K73-I75 PolarHBondContact O-N 3.45Å; I75-E77 PolarHBondContact O-N 3.03Å; I75-S78 PolarHBondContact O-N 2.92Å; I75-Q79 HydrophobicContact CG2-CG 4.31Å; I75-Q79 WeakPolarHBondContact O-CB 3.38Å; I75-Q79 VanDerWaalsContact O-CG 3.28Å; I75-Q79 WeakPolarHBondContact O-CG 2.83Å; I75-Q79 PolarHBondContact O-N 3.46Å |
| 76 | A | 98.7 | Very high | 98.5 | Very high | 53 Ų | 53 | 97 Ų | 97 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D72 K73 Q79 Q80 | D72-A76 WeakPolarHBondContact O-CB 3.46Å; D72-A76 PolarHBondContact O-N 3.43Å; K73-A76 PolarHBondContact O-N 3.47Å; A76-Q79 PolarHBondContact O-N 3.26Å; A76-Q80 WeakPolarHBondContact O-CB 3.28Å; A76-Q80 PolarHBondContact O-N 2.86Å |
| 77 | E | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 98.9 Ų | 98.9 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 176.2 | -73.2 | 174 | 174.4 | 0 | 0 | 111.6 | K73 I75 Q80 A81 | K73-E77 WeakPolarHBondContact CE-OE1 3.41Å; K73-E77 HydrophobicContact CG-CG 4.46Å; K73-E77 IonicContact NZ-OE1 2.73Å; K73-E77 WeakPolarHBondContact O-CB 3.5Å; K73-E77 WeakPolarHBondContact O-CG 3.3Å; K73-E77 PolarHBondContact O-N 2.98Å; I75-E77 PolarHBondContact O-N 3.03Å; E77-Q80 PolarHBondContact O-N 2.96Å; E77-A81 WeakPolarHBondContact O-CB 3.45Å; E77-A81 PolarHBondContact O-N 2.95Å |
| 78 | S | 98.4 | Very high | 98.4 | Very high | 78 Ų | 78 | 100 Ų | 100 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | A74 I75 Q80 A81 Y82 | A74-S78 VanDerWaalsContact O-CB 3.3Å; A74-S78 WeakPolarHBondContact O-CB 3.39Å; A74-S78 PolarHBondContact O-N 2.93Å; A74-S78 PolarHBondContact O-OG 2.96Å; I75-S78 PolarHBondContact O-N 2.92Å; S78-Q80 VanDerWaalsContact C-N 3.35Å; S78-A81 PolarHBondContact O-N 3.11Å; S78-Y82 WeakPolarHBondContact O-CB 3.5Å; S78-Y82 PolarHBondContact O-N 2.9Å |
| 79 | Q | 98.5 | Very high | 98.4 | Very high | 124 Ų | 124 | 97 Ų | 97 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -41.5 | 175.7 | -74.6 | 174.4 | -16.2 | 0 | 0 | 111.4 | I75 A76 Y82 S83 | I75-Q79 HydrophobicContact CG2-CG 4.31Å; I75-Q79 WeakPolarHBondContact O-CB 3.38Å; I75-Q79 VanDerWaalsContact O-CG 3.28Å; I75-Q79 WeakPolarHBondContact O-CG 2.83Å; I75-Q79 PolarHBondContact O-N 3.46Å; A76-Q79 PolarHBondContact O-N 3.26Å; Q79-Y82 PolarHBondContact O-N 3.1Å; Q79-S83 PolarHBondContact O-N 2.94Å; Q79-S83 PolarHBondContact O-OG 3.33Å; Q79-S83 VanDerWaalsContact O-OG 3.13Å |
| 80 | Q | 98.6 | Very high | 98.3 | Very high | 123 Ų | 123 | 100 Ų | 100 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 176.1 | -173 | -176.6 | 63.9 | 0 | 0 | 111.6 | A76 E77 S78 S83 K84 | A76-Q80 WeakPolarHBondContact O-CB 3.28Å; A76-Q80 PolarHBondContact O-N 2.86Å; E77-Q80 PolarHBondContact O-N 2.96Å; S78-Q80 VanDerWaalsContact C-N 3.35Å; Q80-S83 PolarHBondContact O-N 3.22Å; Q80-K84 PolarHBondContact O-N 3.44Å |
| 81 | A | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 100.2 Ų | 100.2 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | E77 S78 K84 L85 | E77-A81 WeakPolarHBondContact O-CB 3.45Å; E77-A81 PolarHBondContact O-N 2.95Å; S78-A81 PolarHBondContact O-N 3.11Å; A81-K84 WeakPolarHBondContact O-CB 3.41Å; A81-K84 PolarHBondContact O-N 3.36Å; A81-L85 PolarHBondContact O-N 3.36Å; A81-L85 VanDerWaalsContact O-N 3.1Å |
| 82 | Y | 98.3 | Very high | 98.3 | Very high | 162 Ų | 162 | 97.9 Ų | 97.9 | 64% | 0.635 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 177.6 | -172.6 | -99.8 | 0 | 0 | 0 | 112.5 | S78 Q79 K84 L85 L86 | S78-Y82 WeakPolarHBondContact O-CB 3.5Å; S78-Y82 PolarHBondContact O-N 2.9Å; Q79-Y82 PolarHBondContact O-N 3.1Å; Y82-K84 VanDerWaalsContact C-N 3.29Å; Y82-K84 PolarHBondContact O-N 3.26Å; Y82-L85 WeakPolarHBondContact O-CB 3.48Å; Y82-L85 PolarHBondContact O-N 3.34Å; Y82-L85 VanDerWaalsContact O-N 3.11Å; Y82-L86 PolarHBondContact O-N 2.67Å |
| 83 | S | 98.4 | Very high | 98.2 | Very high | 73 Ų | 73 | 98.7 Ų | 98.7 | 51% | 0.51 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -39.2 | 175 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | Q79 Q80 L86 E87 | Q79-S83 PolarHBondContact O-N 2.94Å; Q79-S83 PolarHBondContact O-OG 3.33Å; Q79-S83 VanDerWaalsContact O-OG 3.13Å; Q80-S83 PolarHBondContact O-N 3.22Å; S83-L86 PolarHBondContact O-N 3.44Å; S83-E87 PolarHBondContact O-N 2.99Å |
| 84 | K | 98.4 | Very high | 98.2 | Very high | 119 Ų | 119 | 95.3 Ų | 95.3 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 174.3 | -69.9 | 176.5 | 179.3 | 176.1 | 0 | 112.3 | Q80 A81 Y82 L86 E87 N88 | Q80-K84 PolarHBondContact O-N 3.44Å; A81-K84 WeakPolarHBondContact O-CB 3.41Å; A81-K84 PolarHBondContact O-N 3.36Å; Y82-K84 VanDerWaalsContact C-N 3.29Å; Y82-K84 PolarHBondContact O-N 3.26Å; K84-L86 VanDerWaalsContact C-N 3.33Å; K84-E87 PolarHBondContact O-N 2.87Å; K84-N88 WeakPolarHBondContact O-CB 3.36Å; K84-N88 PolarHBondContact O-N 3.38Å; K84-N88 PolarHBondContact O-ND2 3.35Å |
| 85 | L | 97.9 | Very high | 98.1 | Very high | 113 Ų | 113 | 96.7 Ų | 96.7 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.2 | -41.4 | 174.8 | -69.5 | 176.6 | 0 | 0 | 0 | 111.5 | A81 Y82 N88 S89 | A81-L85 PolarHBondContact O-N 3.36Å; A81-L85 VanDerWaalsContact O-N 3.1Å; Y82-L85 WeakPolarHBondContact O-CB 3.48Å; Y82-L85 PolarHBondContact O-N 3.34Å; Y82-L85 VanDerWaalsContact O-N 3.11Å; L85-N88 PolarHBondContact O-N 3.35Å; L85-S89 WeakPolarHBondContact O-CB 3.41Å; L85-S89 PolarHBondContact O-N 3.13Å |
| 86 | L | 98 | Very high | 98.1 | Very high | 103 Ų | 103 | 97.4 Ų | 97.4 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 176.7 | -176.3 | 63.4 | 0 | 0 | 0 | 111.2 | Y82 S83 K84 N88 S89 Y90 | Y82-L86 PolarHBondContact O-N 2.67Å; S83-L86 PolarHBondContact O-N 3.44Å; K84-L86 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 3.02Å; L86-S89 PolarHBondContact O-N 3.22Å; L86-S89 PolarHBondContact O-OG 3.45Å; L86-Y90 PolarHBondContact O-N 3.48Å |
| 87 | E | 98 | Very high | 98 | Very high | 126 Ų | 126 | 100.2 Ų | 100.2 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.9 | -48.8 | 175.4 | -176.1 | 178.5 | -172 | 0 | 0 | 111.8 | S83 K84 S89 Y90 V91 | S83-E87 PolarHBondContact O-N 2.99Å; K84-E87 PolarHBondContact O-N 2.87Å; E87-S89 VanDerWaalsContact C-N 3.3Å; E87-S89 PolarHBondContact O-N 2.93Å; E87-Y90 WeakPolarHBondContact O-CB 3.39Å; E87-Y90 PolarHBondContact O-N 3.37Å; E87-Y90 VanDerWaalsContact O-N 3.14Å; E87-V91 WeakPolarHBondContact O-CG2 3.43Å; E87-V91 PolarHBondContact O-N 3.41Å |
| 88 | N | 97.7 | Very high | 97.9 | Very high | 103 Ų | 103 | 98.2 Ų | 98.2 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.1 | -39.8 | 177.4 | -72.1 | -18.7 | 0 | 0 | 0 | 112.2 | K84 L85 L86 Y90 V91 L92 | K84-N88 WeakPolarHBondContact O-CB 3.36Å; K84-N88 PolarHBondContact O-N 3.38Å; K84-N88 PolarHBondContact O-ND2 3.35Å; L85-N88 PolarHBondContact O-N 3.35Å; L86-N88 PolarHBondContact O-N 3.02Å; N88-Y90 VanDerWaalsContact C-N 3.34Å; N88-V91 PolarHBondContact O-N 2.97Å; N88-L92 WeakPolarHBondContact O-CB 3.36Å; N88-L92 PolarHBondContact O-N 3.35Å |
| 89 | S | 98 | Very high | 97.8 | Very high | 62 Ų | 62 | 98.1 Ų | 98.1 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 177.3 | 77.6 | 0 | 0 | 0 | 0 | 112.1 | L85 L86 E87 L92 L93 | L85-S89 WeakPolarHBondContact O-CB 3.41Å; L85-S89 PolarHBondContact O-N 3.13Å; L86-S89 PolarHBondContact O-N 3.22Å; L86-S89 PolarHBondContact O-OG 3.45Å; E87-S89 VanDerWaalsContact C-N 3.3Å; E87-S89 PolarHBondContact O-N 2.93Å; S89-L92 PolarHBondContact O-N 2.91Å; S89-L93 WeakPolarHBondContact O-CB 3.43Å; S89-L93 PolarHBondContact O-N 2.92Å |
| 90 | Y | 97.2 | Very high | 97.7 | Very high | 147 Ų | 147 | 97.4 Ų | 97.4 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.7 | -45.9 | 175.8 | 174.3 | -101.2 | 0 | 0 | 0 | 111.3 | L86 E87 N88 L92 L93 N94 | L86-Y90 PolarHBondContact O-N 3.48Å; E87-Y90 WeakPolarHBondContact O-CB 3.39Å; E87-Y90 PolarHBondContact O-N 3.37Å; E87-Y90 VanDerWaalsContact O-N 3.14Å; N88-Y90 VanDerWaalsContact C-N 3.34Å; Y90-L92 PolarHBondContact O-N 3.14Å; Y90-L93 PolarHBondContact O-N 2.95Å; Y90-N94 WeakPolarHBondContact CE1-ND2 3.17Å; Y90-N94 PolarHBondContact O-N 3.47Å; Y90-N94 PolarHBondContact O-ND2 2.84Å; Y90-N94 PolarHBondContact OH-ND2 3.32Å |
| 91 | V | 97.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 96.5 Ų | 96.5 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | E87 N88 L93 N94 V95 | E87-V91 WeakPolarHBondContact O-CG2 3.43Å; E87-V91 PolarHBondContact O-N 3.41Å; N88-V91 PolarHBondContact O-N 2.97Å; V91-L93 PolarHBondContact O-N 2.73Å; V91-N94 PolarHBondContact O-N 3.36Å; V91-V95 WeakPolarHBondContact O-CG2 3.38Å; V91-V95 PolarHBondContact O-N 3.49Å |
| 92 | L | 97.8 | Very high | 97.4 | Very high | 106 Ų | 106 | 99.6 Ų | 99.6 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.8 | -45.7 | 178.9 | -178.9 | 62.5 | 0 | 0 | 0 | 112 | N88 S89 Y90 N94 V95 L96 | N88-L92 WeakPolarHBondContact O-CB 3.36Å; N88-L92 PolarHBondContact O-N 3.35Å; S89-L92 PolarHBondContact O-N 2.91Å; Y90-L92 PolarHBondContact O-N 3.14Å; L92-N94 VanDerWaalsContact C-N 3.32Å; L92-N94 PolarHBondContact O-N 3.45Å; L92-V95 PolarHBondContact O-N 3.34Å; L92-L96 HydrophobicContact CD1-CD1 4.49Å; L92-L96 HydrophobicContact CD1-CG 4.44Å; L92-L96 HydrophobicContact CG-CD1 4.25Å; L92-L96 WeakPolarHBondContact O-CG 3.49Å; L92-L96 PolarHBondContact O-N 2.93Å |
| 93 | L | 97.9 | Very high | 97.3 | Very high | 87 Ų | 87 | 97.8 Ų | 97.8 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.5 | -43.4 | 177.5 | 178 | 62.4 | 0 | 0 | 0 | 111.8 | S89 Y90 V91 L96 K97 | S89-L93 WeakPolarHBondContact O-CB 3.43Å; S89-L93 PolarHBondContact O-N 2.92Å; Y90-L93 PolarHBondContact O-N 2.95Å; V91-L93 PolarHBondContact O-N 2.73Å; L93-L96 PolarHBondContact O-N 3.25Å; L93-K97 HydrophobicContact CG-CD 4.49Å; L93-K97 WeakPolarHBondContact O-CG 3.42Å; L93-K97 PolarHBondContact O-N 3.07Å |
| 94 | N | 97.8 | Very high | 97 | Very high | 61 Ų | 61 | 99.5 Ų | 99.5 | 33% | 0.326 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 179.3 | -73.9 | -21.2 | 0 | 0 | 0 | 112.3 | Y90 V91 L92 K97 C98 | Y90-N94 WeakPolarHBondContact CE1-ND2 3.17Å; Y90-N94 PolarHBondContact O-N 3.47Å; Y90-N94 PolarHBondContact O-ND2 2.84Å; Y90-N94 PolarHBondContact OH-ND2 3.32Å; V91-N94 PolarHBondContact O-N 3.36Å; L92-N94 VanDerWaalsContact C-N 3.32Å; L92-N94 PolarHBondContact O-N 3.45Å; N94-K97 PolarHBondContact O-N 2.98Å; N94-C98 WeakPolarHBondContact O-CB 3.4Å; N94-C98 PolarHBondContact O-N 3.21Å |
| 95 | V | 97.7 | Very high | 96.8 | Very high | 73 Ų | 73 | 97.7 Ų | 97.7 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 173.1 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | V91 L92 C98 N99 | V91-V95 WeakPolarHBondContact O-CG2 3.38Å; V91-V95 PolarHBondContact O-N 3.49Å; L92-V95 PolarHBondContact O-N 3.34Å; V95-C98 PolarHBondContact O-N 3.36Å; V95-N99 WeakPolarHBondContact O-CB 3.37Å; V95-N99 PolarHBondContact O-N 3.17Å; V95-N99 PolarHBondContact O-ND2 3.01Å |
| 96 | L | 97.5 | Very high | 96.5 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 178.1 | -73.2 | 176 | 0 | 0 | 0 | 112.4 | L92 L93 C98 N99 Q100 | L92-L96 HydrophobicContact CD1-CD1 4.49Å; L92-L96 HydrophobicContact CD1-CG 4.44Å; L92-L96 HydrophobicContact CG-CD1 4.25Å; L92-L96 WeakPolarHBondContact O-CG 3.49Å; L92-L96 PolarHBondContact O-N 2.93Å; L93-L96 PolarHBondContact O-N 3.25Å; L96-C98 PolarHBondContact O-N 3.29Å; L96-N99 PolarHBondContact O-N 3.4Å; L96-Q100 WeakPolarHBondContact O-CB 3.44Å; L96-Q100 PolarHBondContact O-N 3.49Å |
| 97 | K | 97.1 | Very high | 96.3 | Very high | 112 Ų | 112 | 99.8 Ų | 99.8 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 174.8 | -76.3 | 179.4 | 177.9 | 178.4 | 0 | 111.9 | L93 N94 N99 Q100 E101 | L93-K97 HydrophobicContact CG-CD 4.49Å; L93-K97 WeakPolarHBondContact O-CG 3.42Å; L93-K97 PolarHBondContact O-N 3.07Å; N94-K97 PolarHBondContact O-N 2.98Å; K97-N99 VanDerWaalsContact C-N 3.35Å; K97-N99 PolarHBondContact O-N 3.48Å; K97-Q100 WeakPolarHBondContact O-CB 3.41Å; K97-Q100 PolarHBondContact O-N 3.23Å; K97-E101 PolarHBondContact O-N 3.12Å |
| 98 | C | 96.2 | Very high | 96 | Very high | 62 Ų | 62 | 95.9 Ų | 95.9 | 42% | 0.419 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 177.4 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | N94 V95 L96 E101 K102 | N94-C98 WeakPolarHBondContact O-CB 3.4Å; N94-C98 PolarHBondContact O-N 3.21Å; V95-C98 PolarHBondContact O-N 3.36Å; L96-C98 PolarHBondContact O-N 3.29Å; C98-E101 PolarHBondContact O-N 3.38Å; C98-K102 WeakPolarHBondContact O-CG 3.47Å; C98-K102 PolarHBondContact O-N 2.9Å; C98-K102 VanDerWaalsContact O-N 3.12Å; C98-K102 VanDerWaalsContact SG-CE 3.6Å |
| 99 | N | 96.9 | Very high | 95.7 | Very high | 76 Ų | 76 | 98 Ų | 98 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 175.9 | -72.4 | -19.6 | 0 | 0 | 0 | 111.9 | V95 L96 K97 K102 M103 | V95-N99 WeakPolarHBondContact O-CB 3.37Å; V95-N99 PolarHBondContact O-N 3.17Å; V95-N99 PolarHBondContact O-ND2 3.01Å; L96-N99 PolarHBondContact O-N 3.4Å; K97-N99 VanDerWaalsContact C-N 3.35Å; K97-N99 PolarHBondContact O-N 3.48Å; N99-K102 PolarHBondContact O-N 3.46Å; N99-M103 VanDerWaalsContact O-CG 3.23Å; N99-M103 WeakPolarHBondContact O-CG 3.23Å; N99-M103 PolarHBondContact O-N 2.91Å |
| 100 | Q | 96.7 | Very high | 95.3 | Very high | 109 Ų | 109 | 99.8 Ų | 99.8 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 176.8 | -172.1 | -178.9 | 14.1 | 0 | 0 | 111.8 | L96 K97 M103 K104 | L96-Q100 WeakPolarHBondContact O-CB 3.44Å; L96-Q100 PolarHBondContact O-N 3.49Å; K97-Q100 WeakPolarHBondContact O-CB 3.41Å; K97-Q100 PolarHBondContact O-N 3.23Å; Q100-M103 PolarHBondContact O-N 3.46Å; Q100-M103 VanDerWaalsContact O-N 3.17Å; Q100-K104 WeakPolarHBondContact O-CG 3.28Å; Q100-K104 PolarHBondContact O-N 2.97Å |
| 101 | E | 95.6 | Very high | 94.7 | Very high | 103 Ų | 103 | 100.4 Ų | 100.4 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.3 | -68 | -53.4 | 123.9 | 0 | 0 | 112.1 | K97 C98 M103 K104 D105 | K97-E101 PolarHBondContact O-N 3.12Å; C98-E101 PolarHBondContact O-N 3.38Å; E101-M103 VanDerWaalsContact C-N 3.27Å; E101-M103 PolarHBondContact O-N 3.02Å; E101-K104 PolarHBondContact O-N 3.44Å; E101-K104 IonicContact OE1-NZ 2.67Å; E101-K104 PolarHBondContact OE1-NZ 3.15Å; E101-D105 PolarHBondContact O-N 3.01Å |
| 102 | K | 95 | Very high | 93.4 | Very high | 118 Ų | 118 | 101.4 Ų | 101.4 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -37.9 | 172.8 | -71.3 | 171.9 | -177.5 | 171.4 | 0 | 112.3 | C98 N99 K106 | C98-K102 WeakPolarHBondContact O-CG 3.47Å; C98-K102 PolarHBondContact O-N 2.9Å; C98-K102 VanDerWaalsContact O-N 3.12Å; C98-K102 VanDerWaalsContact SG-CE 3.6Å; N99-K102 PolarHBondContact O-N 3.46Å; K102-K106 WeakPolarHBondContact O-CG 3.33Å; K102-K106 PolarHBondContact O-N 2.85Å |
| 103 | M | 94.9 | Very high | 91.5 | Very high | 124 Ų | 124 | 106 Ų | 106 | 61% | 0.611 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.7 | -34.8 | 177.8 | -67.5 | -63.6 | -108.3 | 0 | 0 | 111.9 | N99 Q100 E101 K106 F107 | N99-M103 VanDerWaalsContact O-CG 3.23Å; N99-M103 WeakPolarHBondContact O-CG 3.23Å; N99-M103 PolarHBondContact O-N 2.91Å; Q100-M103 PolarHBondContact O-N 3.46Å; Q100-M103 VanDerWaalsContact O-N 3.17Å; E101-M103 VanDerWaalsContact C-N 3.27Å; E101-M103 PolarHBondContact O-N 3.02Å; M103-K106 PolarHBondContact O-N 3.11Å; M103-K106 HydrophobicContact SD-CD 4.28Å; M103-F107 VanDerWaalsContact O-CB 3.28Å; M103-F107 WeakPolarHBondContact O-CB 3.36Å; M103-F107 PolarHBondContact O-N 3.45Å |
| 104 | K | 94 | Very high | 91.2 | Very high | 108 Ų | 108 | 106.9 Ų | 106.9 | 47% | 0.47 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 171.9 | -72.8 | 176.7 | -176.1 | 167.7 | 0 | 112 | Q100 E101 K106 F107 A108 | Q100-K104 WeakPolarHBondContact O-CG 3.28Å; Q100-K104 PolarHBondContact O-N 2.97Å; E101-K104 PolarHBondContact O-N 3.44Å; E101-K104 IonicContact OE1-NZ 2.67Å; E101-K104 PolarHBondContact OE1-NZ 3.15Å; K104-K106 PolarHBondContact O-N 3.45Å; K104-F107 PolarHBondContact O-N 3.23Å; K104-A108 WeakPolarHBondContact O-CB 3.49Å; K104-A108 PolarHBondContact O-N 3.46Å |
| 105 | D | 92.5 | Very high | 90.8 | Very high | 81 Ų | 81 | 109.3 Ų | 109.3 | 43% | 0.433 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.8 | -45.4 | 175.6 | 173.8 | 64 | 0 | 0 | 0 | 111.4 | E101 A108 K109 | E101-D105 PolarHBondContact O-N 3.01Å; D105-A108 PolarHBondContact O-N 3.06Å; D105-K109 VanDerWaalsContact CG-NZ 3.34Å; D105-K109 WeakPolarHBondContact O-CG 3.47Å; D105-K109 PolarHBondContact O-N 3.04Å; D105-K109 VanDerWaalsContact OD1-CE 3.22Å; D105-K109 WeakPolarHBondContact OD1-CE 3.33Å; D105-K109 IonicContact OD1-NZ 3.2Å; D105-K109 PolarHBondContact OD1-NZ 3.02Å; D105-K109 WeakPolarHBondContact OD2-CE 3.22Å; D105-K109 IonicContact OD2-NZ 2.7Å; D105-K109 PolarHBondContact OD2-NZ 3.18Å |
| 106 | K | 93.2 | Very high | 90.5 | Very high | 132 Ų | 132 | 111.3 Ų | 111.3 | 57% | 0.574 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.2 | -45.6 | 173.4 | -75.9 | 179.9 | 178.2 | -173.6 | 0 | 112.2 | K102 M103 K104 K109 T110 | K102-K106 WeakPolarHBondContact O-CG 3.33Å; K102-K106 PolarHBondContact O-N 2.85Å; M103-K106 PolarHBondContact O-N 3.11Å; M103-K106 HydrophobicContact SD-CD 4.28Å; K104-K106 PolarHBondContact O-N 3.45Å; K106-K109 PolarHBondContact O-N 2.84Å; K106-T110 PolarHBondContact O-N 3.2Å; K106-T110 PolarHBondContact O-OG1 2.7Å; K106-T110 VanDerWaalsContact O-OG1 3.04Å |
| 107 | F | 93.1 | Very high | 90 | Very high | 128 Ų | 128 | 112 Ų | 112 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.5 | -46.3 | 179.2 | -173.4 | -86.4 | 0 | 0 | 0 | 111.4 | M103 K104 K109 T110 Y111 | M103-F107 VanDerWaalsContact O-CB 3.28Å; M103-F107 WeakPolarHBondContact O-CB 3.36Å; M103-F107 PolarHBondContact O-N 3.45Å; K104-F107 PolarHBondContact O-N 3.23Å; F107-K109 PolarHBondContact O-N 2.83Å; F107-T110 PolarHBondContact O-N 3.5Å; F107-T110 VanDerWaalsContact O-N 3.11Å; F107-Y111 AromaticContact CD1-CD2 3.93Å; F107-Y111 HydrophobicContact CD1-CD2 3.93Å; F107-Y111 AromaticContact CD2-CD2 3.6Å; F107-Y111 HydrophobicContact CD2-CD2 3.6Å; F107-Y111 AromaticContact CD2-CE2 3.55Å; F107-Y111 HydrophobicContact CD2-CE2 3.55Å; F107-Y111 AromaticContact CE1-CD2 3.76Å; F107-Y111 HydrophobicContact CE1-CD2 3.76Å; F107-Y111 HydrophobicContact CE1-CE2 4.45Å; F107-Y111 HydrophobicContact CE1-CG 4.19Å; F107-Y111 AromaticContact CE2-CD2 3.42Å; F107-Y111 HydrophobicContact CE2-CD2 3.42Å; F107-Y111 VanDerWaalsContact CE2-CD2 3.42Å; F107-Y111 AromaticContact CE2-CE2 3.27Å; F107-Y111 HydrophobicContact CE2-CE2 3.27Å; F107-Y111 HydrophobicContact CE2-CG 4.37Å; F107-Y111 AromaticContact CG-CD2 3.85Å; F107-Y111 HydrophobicContact CG-CD2 3.85Å; F107-Y111 HydrophobicContact CG-CE2 4.26Å; F107-Y111 AromaticContact CZ-CD2 3.5Å; F107-Y111 HydrophobicContact CZ-CD2 3.5Å; F107-Y111 VanDerWaalsContact CZ-CD2 3.5Å; F107-Y111 AromaticContact CZ-CE2 3.77Å; F107-Y111 HydrophobicContact CZ-CE2 3.77Å; F107-Y111 HydrophobicContact CZ-CG 4.05Å; F107-Y111 WeakPolarHBondContact O-CD2 3.46Å; F107-Y111 PolarHBondContact O-N 3.06Å |
| 108 | A | 91.9 | Very high | 89.6 | Confident | 44 Ų | 44 | 112 Ų | 112 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -56.6 | -50.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K104 D105 T110 Y111 T112 | K104-A108 WeakPolarHBondContact O-CB 3.49Å; K104-A108 PolarHBondContact O-N 3.46Å; D105-A108 PolarHBondContact O-N 3.06Å; A108-T110 PolarHBondContact O-N 2.95Å; A108-Y111 PolarHBondContact O-N 3.04Å; A108-Y111 VanDerWaalsContact O-N 3.15Å; A108-T112 PolarHBondContact O-N 3.38Å; A108-T112 PolarHBondContact O-OG1 3.36Å |
| 109 | K | 90.9 | Very high | 89.2 | Confident | 147 Ų | 147 | 115.3 Ų | 115.3 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.2 | -27.5 | 176.5 | -72.5 | 169.8 | 179.4 | 164.2 | 0 | 114.4 | D105 K106 F107 | D105-K109 VanDerWaalsContact CG-NZ 3.34Å; D105-K109 WeakPolarHBondContact O-CG 3.47Å; D105-K109 PolarHBondContact O-N 3.04Å; D105-K109 VanDerWaalsContact OD1-CE 3.22Å; D105-K109 WeakPolarHBondContact OD1-CE 3.33Å; D105-K109 IonicContact OD1-NZ 3.2Å; D105-K109 PolarHBondContact OD1-NZ 3.02Å; D105-K109 WeakPolarHBondContact OD2-CE 3.22Å; D105-K109 IonicContact OD2-NZ 2.7Å; D105-K109 PolarHBondContact OD2-NZ 3.18Å; K106-K109 PolarHBondContact O-N 2.84Å; F107-K109 PolarHBondContact O-N 2.83Å |
| 110 | T | 90.7 | Very high | 88.6 | Confident | 100 Ų | 100 | 118.1 Ų | 118.1 | 61% | 0.613 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -84.2 | -29.5 | 177.8 | -59 | 0 | 0 | 0 | 0 | 113.1 | K106 F107 A108 | K106-T110 PolarHBondContact O-N 3.2Å; K106-T110 PolarHBondContact O-OG1 2.7Å; K106-T110 VanDerWaalsContact O-OG1 3.04Å; F107-T110 PolarHBondContact O-N 3.5Å; F107-T110 VanDerWaalsContact O-N 3.11Å; A108-T110 PolarHBondContact O-N 2.95Å |
| 111 | Y | 84.5 | Confident | 88 | Confident | 161 Ų | 161 | 118.8 Ų | 118.8 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -119.6 | -6.3 | -168.2 | -69.3 | -79.2 | 0 | 0 | 0 | 116 | F107 A108 | F107-Y111 AromaticContact CD1-CD2 3.93Å; F107-Y111 HydrophobicContact CD1-CD2 3.93Å; F107-Y111 AromaticContact CD2-CD2 3.6Å; F107-Y111 HydrophobicContact CD2-CD2 3.6Å; F107-Y111 AromaticContact CD2-CE2 3.55Å; F107-Y111 HydrophobicContact CD2-CE2 3.55Å; F107-Y111 AromaticContact CE1-CD2 3.76Å; F107-Y111 HydrophobicContact CE1-CD2 3.76Å; F107-Y111 HydrophobicContact CE1-CE2 4.45Å; F107-Y111 HydrophobicContact CE1-CG 4.19Å; F107-Y111 AromaticContact CE2-CD2 3.42Å; F107-Y111 HydrophobicContact CE2-CD2 3.42Å; F107-Y111 VanDerWaalsContact CE2-CD2 3.42Å; F107-Y111 AromaticContact CE2-CE2 3.27Å; F107-Y111 HydrophobicContact CE2-CE2 3.27Å; F107-Y111 HydrophobicContact CE2-CG 4.37Å; F107-Y111 AromaticContact CG-CD2 3.85Å; F107-Y111 HydrophobicContact CG-CD2 3.85Å; F107-Y111 HydrophobicContact CG-CE2 4.26Å; F107-Y111 AromaticContact CZ-CD2 3.5Å; F107-Y111 HydrophobicContact CZ-CD2 3.5Å; F107-Y111 VanDerWaalsContact CZ-CD2 3.5Å; F107-Y111 AromaticContact CZ-CE2 3.77Å; F107-Y111 HydrophobicContact CZ-CE2 3.77Å; F107-Y111 HydrophobicContact CZ-CG 4.05Å; F107-Y111 WeakPolarHBondContact O-CD2 3.46Å; F107-Y111 PolarHBondContact O-N 3.06Å; A108-Y111 PolarHBondContact O-N 3.04Å; A108-Y111 VanDerWaalsContact O-N 3.15Å |
| 112 | T | 69.4 | Low | 87.4 | Confident | 97 Ų | 97 | 120.2 Ų | 120.2 | 60% | 0.595 | 61% | 0.61 | S | S | * | * | trans | -88.7 | 125.1 | 165.7 | 52.7 | 0 | 0 | 0 | 0 | 109.9 | A108 | A108-T112 PolarHBondContact O-N 3.38Å; A108-T112 PolarHBondContact O-OG1 3.36Å | ||
| 113 | P | 58.2 | Low | 86.7 | Confident | 202 Ų | 202 | 120.4 Ų | 120.4 | 100% | 1.312 | 62% | 0.618 | S | S | * | * | trans | -65 | 0 | -173.1 | 27.2 | -35.4 | 0 | 0 | 0 | 114.4 |
Retrieved 113 of 113 residues in 151.9 ms
(Link to these results)