| 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 | 39.3 | Very low | 62.3 | Low | 250 Ų | 250 | 121.8 Ų | 121.8 | 100% | 1.232 | 72% | 0.717 | S | S | * | * | 0 | 130 | 0 | -66 | 177.1 | -162.8 | 0 | 0 | 107.5 | |||||
| 2 | A | 46.1 | Very low | 63.7 | Low | 98 Ų | 98 | 115.4 Ų | 115.4 | 81% | 0.81 | 69% | 0.688 | S | S | * | * | trans | -72.7 | 125 | -146.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G4 | A2-G4 PolarHBondContact O-N 2.95Å; A2-G4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | A | 53 | Low | 64.6 | Low | 115 Ų | 115 | 117.7 Ų | 117.7 | 95% | 0.95 | 68% | 0.684 | S | S | * | * | trans | -78.6 | 72.9 | 161 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | G | 60.2 | Low | 65.7 | Low | 51 Ų | 51 | 111.6 Ų | 111.6 | 53% | 0.526 | 66% | 0.659 | S | S | . | * | trans | -152.7 | 81.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A2 | A2-G4 PolarHBondContact O-N 2.95Å; A2-G4 VanDerWaalsContact O-N 3.09Å | ||
| 5 | S | 65.3 | Low | 66.5 | Low | 76 Ų | 76 | 111.9 Ų | 111.9 | 53% | 0.531 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -153.2 | -45.2 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | L9 | S5-L9 WeakPolarHBondContact O-CD1 3.25Å; S5-L9 WeakPolarHBondContact O-CG 3.3Å; S5-L9 PolarHBondContact O-N 3.17Å |
| 6 | R | 61.1 | Low | 67 | Low | 215 Ų | 215 | 112.1 Ų | 112.1 | 81% | 0.811 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.9 | -39.7 | -178.3 | -70.9 | -178.2 | 135.8 | -176.9 | -5.1 | 114.2 | L10 | R6-L10 VanDerWaalsContact O-CG 3.31Å; R6-L10 WeakPolarHBondContact O-CG 2.9Å; R6-L10 PolarHBondContact O-N 2.74Å; R6-L10 VanDerWaalsContact O-N 3.17Å |
| 7 | T | 65.4 | Low | 67.2 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70 | -37.1 | 178.2 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | L10 L11 | T7-L10 PolarHBondContact O-N 3.12Å; T7-L11 WeakPolarHBondContact O-CB 3.39Å; T7-L11 VanDerWaalsContact O-CG 3.27Å; T7-L11 WeakPolarHBondContact O-CG 3.16Å; T7-L11 PolarHBondContact O-N 3.36Å |
| 8 | S | 71.1 | Confident | 67.3 | Low | 79 Ų | 79 | 109.1 Ų | 109.1 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67 | -41.3 | 176.7 | -170.1 | 0 | 0 | 0 | 0 | 112.3 | L11 A12 | S8-L11 PolarHBondContact O-N 3.33Å; S8-A12 WeakPolarHBondContact O-CB 3.44Å; S8-A12 PolarHBondContact O-N 2.98Å |
| 9 | L | 71.6 | Confident | 67 | Low | 116 Ų | 116 | 106.2 Ų | 106.2 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.3 | -41.3 | 175.8 | -81.8 | 162.2 | 0 | 0 | 0 | 112.6 | S5 A12 F13 | S5-L9 WeakPolarHBondContact O-CD1 3.25Å; S5-L9 WeakPolarHBondContact O-CG 3.3Å; S5-L9 PolarHBondContact O-N 3.17Å; L9-A12 PolarHBondContact O-N 3.34Å; L9-F13 WeakPolarHBondContact O-CB 3.37Å; L9-F13 PolarHBondContact O-N 3.14Å |
| 10 | L | 75.2 | Confident | 66.5 | Low | 129 Ų | 129 | 111.5 Ų | 111.5 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.1 | -37 | 177.1 | -70.9 | 170.8 | 0 | 0 | 0 | 112.2 | R6 T7 G14 | R6-L10 VanDerWaalsContact O-CG 3.31Å; R6-L10 WeakPolarHBondContact O-CG 2.9Å; R6-L10 PolarHBondContact O-N 2.74Å; R6-L10 VanDerWaalsContact O-N 3.17Å; T7-L10 PolarHBondContact O-N 3.12Å; L10-G14 PolarHBondContact O-N 3.47Å |
| 11 | L | 77.3 | Confident | 66 | Low | 116 Ų | 116 | 112.7 Ų | 112.7 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.1 | -41.6 | 174.3 | -71.9 | 171 | 0 | 0 | 0 | 111.6 | T7 S8 G14 L15 | T7-L11 WeakPolarHBondContact O-CB 3.39Å; T7-L11 VanDerWaalsContact O-CG 3.27Å; T7-L11 WeakPolarHBondContact O-CG 3.16Å; T7-L11 PolarHBondContact O-N 3.36Å; S8-L11 PolarHBondContact O-N 3.33Å; L11-G14 PolarHBondContact O-N 3Å; L11-L15 WeakPolarHBondContact O-CB 3.09Å; L11-L15 VanDerWaalsContact O-CG 3.22Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.22Å |
| 12 | A | 78.2 | Confident | 66.8 | Low | 45 Ų | 45 | 107.5 Ų | 107.5 | 37% | 0.372 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.6 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S8 L9 L15 L16 | S8-A12 WeakPolarHBondContact O-CB 3.44Å; S8-A12 PolarHBondContact O-N 2.98Å; L9-A12 PolarHBondContact O-N 3.34Å; A12-L15 PolarHBondContact O-N 3.14Å; A12-L16 WeakPolarHBondContact O-CB 3.32Å; A12-L16 WeakPolarHBondContact O-CD1 3.45Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 3.39Å |
| 13 | F | 76.4 | Confident | 67.1 | Low | 145 Ų | 145 | 109.5 Ų | 109.5 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.6 | -40.8 | 176 | -144.1 | -89.4 | 0 | 0 | 0 | 111.5 | L9 L16 C17 | L9-F13 WeakPolarHBondContact O-CB 3.37Å; L9-F13 PolarHBondContact O-N 3.14Å; F13-L16 PolarHBondContact O-N 3.22Å; F13-C17 VanDerWaalsContact O-CB 3.32Å; F13-C17 WeakPolarHBondContact O-CB 3.43Å; F13-C17 PolarHBondContact O-N 3.48Å; F13-C17 PolarHBondContact O-SG 3.45Å |
| 14 | G | 79 | Confident | 66.9 | Low | 32 Ų | 32 | 106.3 Ų | 106.3 | 33% | 0.33 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.5 | -45.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | L10 L11 C17 L18 | L10-G14 PolarHBondContact O-N 3.47Å; L11-G14 PolarHBondContact O-N 3Å; G14-C17 PolarHBondContact O-N 2.99Å; G14-L18 WeakPolarHBondContact O-CB 3.4Å; G14-L18 WeakPolarHBondContact O-CD1 3.16Å; G14-L18 PolarHBondContact O-N 2.89Å |
| 15 | L | 78.9 | Confident | 66.3 | Low | 117 Ų | 117 | 108.2 Ų | 108.2 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.5 | -42.3 | 177.3 | -72.1 | 168.3 | 0 | 0 | 0 | 112.1 | L11 A12 L18 S19 | L11-L15 WeakPolarHBondContact O-CB 3.09Å; L11-L15 VanDerWaalsContact O-CG 3.22Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.22Å; A12-L15 PolarHBondContact O-N 3.14Å; L15-L18 PolarHBondContact O-N 3.47Å; L15-S19 PolarHBondContact O-N 3.34Å; L15-S19 PolarHBondContact O-OG 2.98Å |
| 16 | L | 73.9 | Confident | 65.7 | Low | 115 Ų | 115 | 108.5 Ų | 108.5 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62 | -43.1 | 174.5 | -79.4 | 163.4 | 0 | 0 | 0 | 111.7 | A12 F13 S19 W20 | A12-L16 WeakPolarHBondContact O-CB 3.32Å; A12-L16 WeakPolarHBondContact O-CD1 3.45Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 3.39Å; F13-L16 PolarHBondContact O-N 3.22Å; L16-S19 VanDerWaalsContact CA-OG 3.32Å; L16-S19 WeakPolarHBondContact CA-OG 3.38Å; L16-S19 PolarHBondContact O-N 3.08Å; L16-S19 PolarHBondContact O-OG 2.95Å; L16-W20 WeakPolarHBondContact O-CB 3.42Å; L16-W20 PolarHBondContact O-N 3.36Å |
| 17 | C | 69.7 | Low | 65.1 | Low | 61 Ų | 61 | 106.1 Ų | 106.1 | 41% | 0.412 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.4 | -36.8 | 174.3 | -73.7 | 0 | 0 | 0 | 0 | 112.5 | F13 G14 W20 L21 | F13-C17 VanDerWaalsContact O-CB 3.32Å; F13-C17 WeakPolarHBondContact O-CB 3.43Å; F13-C17 PolarHBondContact O-N 3.48Å; F13-C17 PolarHBondContact O-SG 3.45Å; G14-C17 PolarHBondContact O-N 2.99Å; C17-W20 PolarHBondContact O-N 3.29Å; C17-L21 WeakPolarHBondContact O-CB 3.32Å; C17-L21 PolarHBondContact O-N 3.32Å |
| 18 | L | 70.1 | Confident | 65 | Low | 108 Ų | 108 | 107 Ų | 107 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.6 | -42.6 | 175.5 | -96.6 | 141.3 | 0 | 0 | 0 | 112.1 | G14 L15 W20 L21 Q22 | G14-L18 WeakPolarHBondContact O-CB 3.4Å; G14-L18 WeakPolarHBondContact O-CD1 3.16Å; G14-L18 PolarHBondContact O-N 2.89Å; L15-L18 PolarHBondContact O-N 3.47Å; L18-W20 VanDerWaalsContact C-N 3.35Å; L18-L21 PolarHBondContact O-N 2.69Å; L18-Q22 WeakPolarHBondContact O-CB 3.25Å; L18-Q22 PolarHBondContact O-N 3.15Å |
| 19 | S | 61.7 | Low | 64.9 | Low | 54 Ų | 54 | 109.5 Ų | 109.5 | 38% | 0.378 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.6 | -44.4 | 171.9 | 35.4 | 0 | 0 | 0 | 0 | 111.6 | L15 L16 L21 Q22 E23 | L15-S19 PolarHBondContact O-N 3.34Å; L15-S19 PolarHBondContact O-OG 2.98Å; L16-S19 VanDerWaalsContact CA-OG 3.32Å; L16-S19 WeakPolarHBondContact CA-OG 3.38Å; L16-S19 PolarHBondContact O-N 3.08Å; L16-S19 PolarHBondContact O-OG 2.95Å; S19-L21 PolarHBondContact O-N 2.96Å; S19-Q22 PolarHBondContact O-N 3.34Å; S19-E23 PolarHBondContact O-N 2.81Å; S19-E23 VanDerWaalsContact O-OE2 3.09Å |
| 20 | W | 57 | Low | 65.4 | Low | 213 Ų | 213 | 109 Ų | 109 | 81% | 0.807 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.9 | -35.7 | 178.7 | -134.8 | 58.8 | 0 | 0 | 0 | 113.1 | L16 C17 L18 Q22 G24 | L16-W20 WeakPolarHBondContact O-CB 3.42Å; L16-W20 PolarHBondContact O-N 3.36Å; C17-W20 PolarHBondContact O-N 3.29Å; L18-W20 VanDerWaalsContact C-N 3.35Å; W20-Q22 VanDerWaalsContact C-N 3.33Å; W20-G24 PolarHBondContact O-N 3.3Å; W20-G24 VanDerWaalsContact O-N 3.09Å |
| 21 | L | 55.3 | Low | 66.1 | Low | 136 Ų | 136 | 105.8 Ų | 105.8 | 71% | 0.712 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.5 | -34.8 | 174.2 | -130.5 | 91.2 | 0 | 0 | 0 | 111.7 | C17 L18 S19 G24 S25 | C17-L21 WeakPolarHBondContact O-CB 3.32Å; C17-L21 PolarHBondContact O-N 3.32Å; L18-L21 PolarHBondContact O-N 2.69Å; S19-L21 PolarHBondContact O-N 2.96Å; L21-G24 PolarHBondContact O-N 3.4Å; L21-S25 PolarHBondContact O-N 3.25Å |
| 22 | Q | 56.5 | Low | 66.6 | Low | 142 Ų | 142 | 105.9 Ų | 105.9 | 66% | 0.664 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.9 | -37.6 | 179.8 | -159.6 | 144.1 | -32.3 | 0 | 0 | 111.3 | L18 S19 W20 G24 S25 | L18-Q22 WeakPolarHBondContact O-CB 3.25Å; L18-Q22 PolarHBondContact O-N 3.15Å; S19-Q22 PolarHBondContact O-N 3.34Å; W20-Q22 VanDerWaalsContact C-N 3.33Å; Q22-G24 VanDerWaalsContact C-N 3.32Å; Q22-G24 PolarHBondContact O-N 3.01Å; Q22-S25 PolarHBondContact O-N 3.2Å; Q22-S25 PolarHBondContact O-OG 3.48Å |
| 23 | E | 52 | Low | 67.1 | Low | 140 Ų | 140 | 107.1 Ų | 107.1 | 65% | 0.654 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.4 | -32.1 | 169.5 | -103 | 104.1 | -142.8 | 0 | 0 | 113 | S19 S25 | S19-E23 PolarHBondContact O-N 2.81Å; S19-E23 VanDerWaalsContact O-OE2 3.09Å; E23-S25 VanDerWaalsContact C-N 3.33Å; E23-S25 PolarHBondContact O-N 3.38Å |
| 24 | G | 49.9 | Very low | 67.7 | Low | 48 Ų | 48 | 108 Ų | 108 | 50% | 0.495 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | -10.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | W20 L21 Q22 | W20-G24 PolarHBondContact O-N 3.3Å; W20-G24 VanDerWaalsContact O-N 3.09Å; L21-G24 PolarHBondContact O-N 3.4Å; Q22-G24 VanDerWaalsContact C-N 3.32Å; Q22-G24 PolarHBondContact O-N 3.01Å |
| 25 | S | 47.5 | Very low | 68.3 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -4.9 | -173.2 | 69.9 | 0 | 0 | 0 | 0 | 114.7 | L21 Q22 E23 | L21-S25 PolarHBondContact O-N 3.25Å; Q22-S25 PolarHBondContact O-N 3.2Å; Q22-S25 PolarHBondContact O-OG 3.48Å; E23-S25 VanDerWaalsContact C-N 3.33Å; E23-S25 PolarHBondContact O-N 3.38Å |
| 26 | A | 51.5 | Low | 69.1 | Low | 81 Ų | 81 | 111.2 Ų | 111.2 | 67% | 0.669 | 60% | 0.598 | S | S | * | * | trans | -106.1 | 33 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P28 | A26-P28 VanDerWaalsContact O-CD 3.27Å; A26-P28 WeakPolarHBondContact O-CD 3.42Å | ||
| 27 | F | 49.8 | Very low | 70 | Confident | 166 Ų | 166 | 110.9 Ų | 110.9 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | trans | -73.8 | 115.9 | 158.9 | -83.8 | -83.4 | 0 | 0 | 0 | 107.3 | T29 | F27-T29 PolarHBondContact O-N 3.09Š| ||
| 28 | P | 61.4 | Low | 71.2 | Confident | 113 Ų | 113 | 112 Ų | 112 | 73% | 0.734 | 60% | 0.599 | S | S | * | * | trans | -61.4 | 108.2 | 174.4 | 24.7 | -30.7 | 0 | 0 | 0 | 107.2 | A26 I30 | A26-P28 VanDerWaalsContact O-CD 3.27Å; A26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-I30 PolarHBondContact O-N 3.35Å | ||
| 29 | T | 70.8 | Confident | 72.3 | Confident | 132 Ų | 132 | 109.4 Ų | 109.4 | 81% | 0.81 | 59% | 0.593 | S | S | * | * | trans | -59.2 | 114.6 | 170.4 | 45.4 | 0 | 0 | 0 | 0 | 106.2 | F27 P31 | F27-T29 PolarHBondContact O-N 3.09Å; T29-P31 WeakPolarHBondContact O-CD 3.41Å; T29-P31 VanDerWaalsContact O-N 3.1Å | ||
| 30 | I | 80.4 | Confident | 74 | Confident | 106 Ų | 106 | 112.4 Ų | 112.4 | 54% | 0.544 | 60% | 0.603 | S | S | . | * | trans | -60.5 | 120.6 | -178.8 | -59.9 | 173.1 | 0 | 0 | 0 | 106.4 | P28 R34 L35 | P28-I30 PolarHBondContact O-N 3.35Å; I30-R34 HydrophobicContact CG2-CB 3.87Å; I30-L35 HydrophobicContact CB-CD2 4.33Å; I30-L35 HydrophobicContact CG2-CD2 3.8Å; I30-L35 HydrophobicContact CG2-CG 3.93Å | ||
| 31 | P | 90.3 | Very high | 75.9 | Confident | 61 Ų | 61 | 106.1 Ų | 106.1 | 40% | 0.396 | 58% | 0.584 | S | S | . | * | trans | -63 | 143.3 | -177.8 | 24.6 | -33.3 | 0 | 0 | 0 | 109.8 | T29 S33 R34 L35 | T29-P31 WeakPolarHBondContact O-CD 3.41Å; T29-P31 VanDerWaalsContact O-N 3.1Å; P31-S33 PolarHBondContact O-N 2.93Å; P31-S33 VanDerWaalsContact O-N 3.1Å; P31-R34 HydrophobicContact CG-CB 4.08Å; P31-R34 HydrophobicContact CG-CG 3.85Å; P31-R34 WeakPolarHBondContact O-CB 3.49Å; P31-R34 PolarHBondContact O-N 3.43Å; P31-L35 PolarHBondContact O-N 3.2Å | ||
| 32 | L | 87.4 | Confident | 77.8 | Confident | 117 Ų | 117 | 108 Ų | 108 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -53.5 | -34.7 | -177.9 | -178.1 | 61.2 | 0 | 0 | 0 | 112.6 | R34 L35 F36 | L32-R34 PolarHBondContact O-N 2.99Å; L32-L35 WeakPolarHBondContact O-CB 3.45Å; L32-L35 PolarHBondContact O-N 2.98Å; L32-L35 VanDerWaalsContact O-N 3.16Å; L32-F36 HydrophobicContact CD1-CD2 3.96Å; L32-F36 HydrophobicContact CD1-CE2 3.63Å; L32-F36 HydrophobicContact CD2-CE2 3.96Å; L32-F36 HydrophobicContact CG-CD2 3.77Å; L32-F36 HydrophobicContact CG-CE2 3.59Å; L32-F36 WeakPolarHBondContact O-CD2 3.5Å; L32-F36 PolarHBondContact O-N 3.45Å |
| 33 | S | 89.4 | Confident | 79.7 | Confident | 72 Ų | 72 | 103.8 Ų | 103.8 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -57.3 | -46.7 | 173.7 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | P31 L35 F36 D37 | P31-S33 PolarHBondContact O-N 2.93Å; P31-S33 VanDerWaalsContact O-N 3.1Å; S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 3.45Å; S33-F36 PolarHBondContact O-N 3.45Å; S33-D37 VanDerWaalsContact O-CG 3.24Å; S33-D37 PolarHBondContact O-N 2.98Å |
| 34 | R | 90.1 | Very high | 81.8 | Confident | 164 Ų | 164 | 104.8 Ų | 104.8 | 62% | 0.619 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65 | -32.3 | 176.3 | -78.2 | -171.3 | 179.4 | -175.3 | 0.7 | 112.4 | I30 P31 L32 N38 | I30-R34 HydrophobicContact CG2-CB 3.87Å; P31-R34 HydrophobicContact CG-CB 4.08Å; P31-R34 HydrophobicContact CG-CG 3.85Å; P31-R34 WeakPolarHBondContact O-CB 3.49Å; P31-R34 PolarHBondContact O-N 3.43Å; L32-R34 PolarHBondContact O-N 2.99Å; R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 VanDerWaalsContact O-CG 3.32Å; R34-N38 PolarHBondContact O-N 3.36Å; R34-N38 VanDerWaalsContact O-N 3.13Å; R34-N38 PolarHBondContact O-ND2 2.85Å |
| 35 | L | 89.9 | Confident | 83.9 | Confident | 89 Ų | 89 | 110 Ų | 110 | 47% | 0.466 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.1 | -45.2 | 174.3 | -64.8 | 175.4 | 0 | 0 | 0 | 110.7 | I30 P31 L32 S33 N38 A39 | I30-L35 HydrophobicContact CB-CD2 4.33Å; I30-L35 HydrophobicContact CG2-CD2 3.8Å; I30-L35 HydrophobicContact CG2-CG 3.93Å; P31-L35 PolarHBondContact O-N 3.2Å; L32-L35 WeakPolarHBondContact O-CB 3.45Å; L32-L35 PolarHBondContact O-N 2.98Å; L32-L35 VanDerWaalsContact O-N 3.16Å; S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 3.45Å; L35-N38 PolarHBondContact O-N 2.89Å; L35-A39 WeakPolarHBondContact O-CB 3.2Å; L35-A39 PolarHBondContact O-N 3.31Å |
| 36 | F | 95.7 | Very high | 86.2 | Confident | 127 Ų | 127 | 111.3 Ų | 111.3 | 56% | 0.557 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.7 | -44.3 | 175.5 | -83.7 | -65.1 | 0 | 0 | 0 | 113 | L32 S33 N38 A39 M40 | L32-F36 HydrophobicContact CD1-CD2 3.96Å; L32-F36 HydrophobicContact CD1-CE2 3.63Å; L32-F36 HydrophobicContact CD2-CE2 3.96Å; L32-F36 HydrophobicContact CG-CD2 3.77Å; L32-F36 HydrophobicContact CG-CE2 3.59Å; L32-F36 WeakPolarHBondContact O-CD2 3.5Å; L32-F36 PolarHBondContact O-N 3.45Å; S33-F36 PolarHBondContact O-N 3.45Å; F36-N38 VanDerWaalsContact C-N 3.3Å; F36-N38 PolarHBondContact O-N 2.97Å; F36-A39 PolarHBondContact O-N 3.39Å; F36-M40 WeakPolarHBondContact O-CB 3.47Å; F36-M40 WeakPolarHBondContact O-CG 3.01Å; F36-M40 PolarHBondContact O-N 3.48Å |
| 37 | D | 93.8 | Very high | 88.1 | Confident | 108 Ų | 108 | 115 Ų | 115 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.7 | -44.6 | 177.5 | -69.5 | -26.3 | 0 | 0 | 0 | 111 | S33 L41 | S33-D37 VanDerWaalsContact O-CG 3.24Å; S33-D37 PolarHBondContact O-N 2.98Å; D37-L41 WeakPolarHBondContact O-CB 3.33Å; D37-L41 PolarHBondContact O-N 3.25Å |
| 38 | N | 94.1 | Very high | 89.9 | Confident | 83 Ų | 83 | 111.9 Ų | 111.9 | 44% | 0.444 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -42.6 | 176.3 | -80 | -50.7 | 0 | 0 | 0 | 112.2 | R34 L35 F36 R42 | R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 VanDerWaalsContact O-CG 3.32Å; R34-N38 PolarHBondContact O-N 3.36Å; R34-N38 VanDerWaalsContact O-N 3.13Å; R34-N38 PolarHBondContact O-ND2 2.85Å; L35-N38 PolarHBondContact O-N 2.89Å; F36-N38 VanDerWaalsContact C-N 3.3Å; F36-N38 PolarHBondContact O-N 2.97Å; N38-R42 WeakPolarHBondContact O-CB 3.19Å; N38-R42 VanDerWaalsContact O-CG 3.27Å; N38-R42 WeakPolarHBondContact O-CG 3.34Å; N38-R42 PolarHBondContact O-N 3.47Å |
| 39 | A | 94.9 | Very high | 91.2 | Very high | 54 Ų | 54 | 111.7 Ų | 111.7 | 45% | 0.446 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.6 | -47.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L35 F36 R42 A43 | L35-A39 WeakPolarHBondContact O-CB 3.2Å; L35-A39 PolarHBondContact O-N 3.31Å; F36-A39 PolarHBondContact O-N 3.39Å; A39-R42 PolarHBondContact O-N 2.99Å; A39-A43 WeakPolarHBondContact O-CB 3.28Å; A39-A43 PolarHBondContact O-N 3.4Å |
| 40 | M | 96.4 | Very high | 91.9 | Very high | 118 Ų | 118 | 108.3 Ų | 108.3 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 178.4 | -75.1 | -59 | -63 | 0 | 0 | 112.3 | F36 R42 A43 R44 | F36-M40 WeakPolarHBondContact O-CB 3.47Å; F36-M40 WeakPolarHBondContact O-CG 3.01Å; F36-M40 PolarHBondContact O-N 3.48Å; M40-R42 VanDerWaalsContact C-N 3.33Å; M40-R42 PolarHBondContact O-N 3.32Å; M40-A43 PolarHBondContact O-N 3.36Å; M40-R44 WeakPolarHBondContact O-CB 3.04Å; M40-R44 PolarHBondContact O-N 2.92Å |
| 41 | L | 96.4 | Very high | 92.2 | Very high | 81 Ų | 81 | 108.5 Ų | 108.5 | 42% | 0.424 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.6 | 178.9 | 64.7 | 0 | 0 | 0 | 111.1 | D37 R44 R45 | D37-L41 WeakPolarHBondContact O-CB 3.33Å; D37-L41 PolarHBondContact O-N 3.25Å; L41-R44 PolarHBondContact O-N 3.03Å; L41-R45 WeakPolarHBondContact O-CG 3.42Å; L41-R45 PolarHBondContact O-N 3.24Å |
| 42 | R | 96.4 | Very high | 91.8 | Very high | 176 Ų | 176 | 109.6 Ų | 109.6 | 66% | 0.664 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.5 | -46.1 | 177.4 | -72.4 | 175.5 | -175.1 | -152.6 | 2.2 | 111.6 | N38 A39 M40 R44 R45 L46 | N38-R42 WeakPolarHBondContact O-CB 3.19Å; N38-R42 VanDerWaalsContact O-CG 3.27Å; N38-R42 WeakPolarHBondContact O-CG 3.34Å; N38-R42 PolarHBondContact O-N 3.47Å; A39-R42 PolarHBondContact O-N 2.99Å; M40-R42 VanDerWaalsContact C-N 3.33Å; M40-R42 PolarHBondContact O-N 3.32Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-R44 PolarHBondContact O-N 2.79Å; R42-R45 PolarHBondContact O-N 3.46Å; R42-L46 WeakPolarHBondContact O-CG 3.46Å; R42-L46 PolarHBondContact O-N 3.31Å |
| 43 | A | 96.5 | Very high | 91.4 | Very high | 53 Ų | 53 | 107.7 Ų | 107.7 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A39 M40 L46 Y47 | A39-A43 WeakPolarHBondContact O-CB 3.28Å; A39-A43 PolarHBondContact O-N 3.4Å; M40-A43 PolarHBondContact O-N 3.36Å; A43-L46 PolarHBondContact O-N 2.96Å; A43-Y47 WeakPolarHBondContact O-CB 3.46Å; A43-Y47 PolarHBondContact O-N 3.06Å |
| 44 | R | 94.9 | Very high | 91 | Very high | 160 Ų | 160 | 108.6 Ų | 108.6 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -43.3 | 176.7 | -174.1 | 177.7 | -66.4 | -169.4 | -0.8 | 112.4 | M40 L41 R42 Y47 Q48 | M40-R44 WeakPolarHBondContact O-CB 3.04Å; M40-R44 PolarHBondContact O-N 2.92Å; L41-R44 PolarHBondContact O-N 3.03Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-R44 PolarHBondContact O-N 2.79Å; R44-Y47 PolarHBondContact O-N 3.49Å; R44-Q48 HydrophobicContact CG-CG 4.46Å; R44-Q48 WeakPolarHBondContact O-CB 3.37Å; R44-Q48 WeakPolarHBondContact O-CG 3.25Å; R44-Q48 PolarHBondContact O-N 3.22Å |
| 45 | R | 94.3 | Very high | 90.7 | Very high | 157 Ų | 157 | 102.4 Ų | 102.4 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 176.4 | -76.5 | 179.1 | -174.5 | -176.9 | 1.7 | 112 | L41 R42 Q48 L49 | L41-R45 WeakPolarHBondContact O-CG 3.42Å; L41-R45 PolarHBondContact O-N 3.24Å; R42-R45 PolarHBondContact O-N 3.46Å; R45-Q48 PolarHBondContact O-N 2.94Å; R45-L49 WeakPolarHBondContact O-CB 3.4Å; R45-L49 PolarHBondContact O-N 3.28Å |
| 46 | L | 95.2 | Very high | 90.5 | Very high | 120 Ų | 120 | 104.1 Ų | 104.1 | 63% | 0.628 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 176.7 | -71 | 172.5 | 0 | 0 | 0 | 111.2 | R42 A43 L49 A50 | R42-L46 WeakPolarHBondContact O-CG 3.46Å; R42-L46 PolarHBondContact O-N 3.31Å; A43-L46 PolarHBondContact O-N 2.96Å; L46-L49 PolarHBondContact O-N 2.81Å; L46-A50 WeakPolarHBondContact O-CB 3.35Å; L46-A50 PolarHBondContact O-N 3.02Å |
| 47 | Y | 92.1 | Very high | 90.2 | Very high | 159 Ų | 159 | 103 Ų | 103 | 62% | 0.624 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.6 | -48.4 | 174.3 | 174.2 | -92.5 | 0 | 0 | 0 | 111.8 | A43 R44 A50 Y51 | A43-Y47 WeakPolarHBondContact O-CB 3.46Å; A43-Y47 PolarHBondContact O-N 3.06Å; R44-Y47 PolarHBondContact O-N 3.49Å; Y47-A50 PolarHBondContact O-N 3.41Å; Y47-Y51 VanDerWaalsContact O-CB 3.28Å; Y47-Y51 WeakPolarHBondContact O-CB 3.48Å; Y47-Y51 PolarHBondContact O-N 3.19Å |
| 48 | Q | 88.1 | Confident | 90.1 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 178.3 | -76.1 | 175.6 | -39.6 | 0 | 0 | 111.6 | R44 R45 A50 Y51 D52 | R44-Q48 HydrophobicContact CG-CG 4.46Å; R44-Q48 WeakPolarHBondContact O-CB 3.37Å; R44-Q48 WeakPolarHBondContact O-CG 3.25Å; R44-Q48 PolarHBondContact O-N 3.22Å; R45-Q48 PolarHBondContact O-N 2.94Å; Q48-A50 VanDerWaalsContact C-N 3.35Å; Q48-A50 PolarHBondContact O-N 3.34Å; Q48-Y51 PolarHBondContact O-N 2.99Å; Q48-D52 WeakPolarHBondContact O-CB 3.1Å; Q48-D52 PolarHBondContact O-N 2.01Å |
| 49 | L | 88.8 | Confident | 89.9 | Confident | 110 Ų | 110 | 95.6 Ų | 95.6 | 58% | 0.576 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.6 | -47.1 | 176.6 | -179.9 | 64.7 | 0 | 0 | 0 | 111.5 | R45 L46 Y51 D52 T53 | R45-L49 WeakPolarHBondContact O-CB 3.4Å; R45-L49 PolarHBondContact O-N 3.28Å; L46-L49 PolarHBondContact O-N 2.81Å; L49-Y51 VanDerWaalsContact C-N 3.33Å; L49-Y51 PolarHBondContact O-N 3.02Å; L49-D52 PolarHBondContact O-N 3.47Å; L49-T53 WeakPolarHBondContact O-CB 3.46Å; L49-T53 PolarHBondContact O-N 2.98Å; L49-T53 PolarHBondContact O-OG1 3.22Å |
| 50 | A | 85.8 | Confident | 89.8 | Confident | 60 Ų | 60 | 95.8 Ų | 95.8 | 50% | 0.496 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L46 Y47 Q48 Y54 | L46-A50 WeakPolarHBondContact O-CB 3.35Å; L46-A50 PolarHBondContact O-N 3.02Å; Y47-A50 PolarHBondContact O-N 3.41Å; Q48-A50 VanDerWaalsContact C-N 3.35Å; Q48-A50 PolarHBondContact O-N 3.34Å; A50-Y54 WeakPolarHBondContact O-CB 3.47Å; A50-Y54 PolarHBondContact O-N 3.46Å |
| 51 | Y | 84.9 | Confident | 89.7 | Confident | 111 Ų | 111 | 90.7 Ų | 90.7 | 44% | 0.435 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 177.5 | -178 | -92.3 | 0 | 0 | 0 | 111.7 | Y47 Q48 L49 Y54 Q55 | Y47-Y51 VanDerWaalsContact O-CB 3.28Å; Y47-Y51 WeakPolarHBondContact O-CB 3.48Å; Y47-Y51 PolarHBondContact O-N 3.19Å; Q48-Y51 PolarHBondContact O-N 2.99Å; L49-Y51 VanDerWaalsContact C-N 3.33Å; L49-Y51 PolarHBondContact O-N 3.02Å; Y51-Y54 WeakPolarHBondContact O-CB 3.42Å; Y51-Y54 PolarHBondContact O-N 3.35Å; Y51-Q55 HydrophobicContact CD1-CG 4.15Å; Y51-Q55 HydrophobicContact CE1-CG 3.72Å; Y51-Q55 HydrophobicContact CE2-CG 4.48Å; Y51-Q55 WeakPolarHBondContact O-CG 3.5Å; Y51-Q55 PolarHBondContact O-N 3.44Å; Y51-Q55 PolarHBondContact OH-NE2 2.88Å |
| 52 | D | 81.9 | Confident | 89.7 | Confident | 83 Ų | 83 | 86.8 Ų | 86.8 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | -179.6 | -67.3 | -18.9 | 0 | 0 | 0 | 111 | Q48 L49 Y54 Q55 E56 | Q48-D52 WeakPolarHBondContact O-CB 3.1Å; Q48-D52 PolarHBondContact O-N 2.01Å; L49-D52 PolarHBondContact O-N 3.47Å; D52-Y54 PolarHBondContact O-N 3Å; D52-Q55 PolarHBondContact O-N 3.26Å; D52-E56 PolarHBondContact O-N 2.91Å |
| 53 | T | 80.2 | Confident | 89.6 | Confident | 77 Ų | 77 | 81.6 Ų | 81.6 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | L49 F57 | L49-T53 WeakPolarHBondContact O-CB 3.46Å; L49-T53 PolarHBondContact O-N 2.98Å; L49-T53 PolarHBondContact O-OG1 3.22Å; T53-F57 PolarHBondContact O-N 3.23Å; T53-F57 VanDerWaalsContact O-N 3.17Å |
| 54 | Y | 80.6 | Confident | 89.4 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 36% | 0.361 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | 177.8 | 179.2 | -94.8 | 0 | 0 | 0 | 112.6 | A50 Y51 D52 F57 N58 R169 | A50-Y54 WeakPolarHBondContact O-CB 3.47Å; A50-Y54 PolarHBondContact O-N 3.46Å; Y51-Y54 WeakPolarHBondContact O-CB 3.42Å; Y51-Y54 PolarHBondContact O-N 3.35Å; D52-Y54 PolarHBondContact O-N 3Å; Y54-F57 PolarHBondContact O-N 3.21Å; Y54-N58 PolarHBondContact O-N 3.32Å; Y54-N58 PolarHBondContact O-ND2 3.27Å; Y54-R169 HydrophobicContact CE1-CB 4.07Å; Y54-R169 HydrophobicContact CE2-CG 4.22Å; Y54-R169 WeakPolarHBondContact OH-CA 3.35Å; Y54-R169 WeakPolarHBondContact OH-CB 3.27Å; Y54-R169 WeakPolarHBondContact OH-CD 3.36Å; Y54-R169 WeakPolarHBondContact OH-CG 3.22Å; Y54-R169 PolarHBondContact OH-O 3.46Å |
| 55 | Q | 83.9 | Confident | 89.5 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 175 | -69.7 | -58.7 | -26.9 | 0 | 0 | 111.8 | Y51 D52 F57 N58 L59 | Y51-Q55 HydrophobicContact CD1-CG 4.15Å; Y51-Q55 HydrophobicContact CE1-CG 3.72Å; Y51-Q55 HydrophobicContact CE2-CG 4.48Å; Y51-Q55 WeakPolarHBondContact O-CG 3.5Å; Y51-Q55 PolarHBondContact O-N 3.44Å; Y51-Q55 PolarHBondContact OH-NE2 2.88Å; D52-Q55 PolarHBondContact O-N 3.26Å; Q55-F57 VanDerWaalsContact C-N 3.28Å; Q55-F57 PolarHBondContact O-N 3.1Å; Q55-N58 PolarHBondContact O-N 2.88Å; Q55-N58 VanDerWaalsContact O-N 3.1Å; Q55-L59 PolarHBondContact O-N 2.87Å; Q55-L59 VanDerWaalsContact O-N 3.09Å |
| 56 | E | 86.3 | Confident | 89.6 | Confident | 125 Ų | 125 | 67.4 Ų | 67.4 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -56.6 | -43 | 175.9 | -174.9 | 175.5 | -167.8 | 0 | 0 | 111.6 | D52 N58 L59 E60 | D52-E56 PolarHBondContact O-N 2.91Å; E56-N58 VanDerWaalsContact C-N 3.35Å; E56-N58 PolarHBondContact O-N 2.93Å; E56-L59 PolarHBondContact O-N 2.99Å; E56-E60 PolarHBondContact O-N 3.29Å |
| 57 | F | 88.8 | Confident | 89.6 | Confident | 102 Ų | 102 | 63.9 Ų | 63.9 | 45% | 0.447 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 176.9 | -173.6 | -90.6 | 0 | 0 | 0 | 112.9 | T53 Y54 Q55 E60 L61 | T53-F57 PolarHBondContact O-N 3.23Å; T53-F57 VanDerWaalsContact O-N 3.17Å; Y54-F57 PolarHBondContact O-N 3.21Å; Q55-F57 VanDerWaalsContact C-N 3.28Å; Q55-F57 PolarHBondContact O-N 3.1Å; F57-E60 PolarHBondContact O-N 2.9Å; F57-L61 HydrophobicContact CD1-CD1 3.97Å; F57-L61 HydrophobicContact CD1-CG 4.08Å; F57-L61 HydrophobicContact CE1-CD1 3.48Å; F57-L61 VanDerWaalsContact CE1-CD1 3.48Å; F57-L61 HydrophobicContact CE1-CD2 4.09Å; F57-L61 HydrophobicContact CE1-CG 3.71Å; F57-L61 HydrophobicContact CZ-CD1 4.31Å; F57-L61 HydrophobicContact CZ-CD2 4.11Å; F57-L61 HydrophobicContact CZ-CG 4.2Å; F57-L61 WeakPolarHBondContact O-CG 3.27Å; F57-L61 PolarHBondContact O-N 3.13Å |
| 58 | N | 90.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 177.5 | -67.7 | -27 | 0 | 0 | 0 | 111.4 | Y54 Q55 E56 E60 L61 L62 V166 R169 | Y54-N58 PolarHBondContact O-N 3.32Å; Y54-N58 PolarHBondContact O-ND2 3.27Å; Q55-N58 PolarHBondContact O-N 2.88Å; Q55-N58 VanDerWaalsContact O-N 3.1Å; E56-N58 VanDerWaalsContact C-N 3.35Å; E56-N58 PolarHBondContact O-N 2.93Å; N58-E60 VanDerWaalsContact C-N 3.34Å; N58-L61 PolarHBondContact O-N 3.47Å; N58-L62 WeakPolarHBondContact O-CG 3.28Å; N58-L62 PolarHBondContact O-N 3.38Å; N58-V166 HydrophobicContact CB-CG1 4.41Å; N58-V166 HydrophobicContact CB-CG2 4.28Å; N58-R169 VanDerWaalsContact OD1-CD 3.3Å; N58-R169 WeakPolarHBondContact OD1-CD 3.48Å |
| 59 | L | 91.3 | Very high | 90 | Very high | 37 Ų | 37 | 52 Ų | 52 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 175.3 | -70.8 | 175 | 0 | 0 | 0 | 111.8 | Q55 E56 L61 L62 R63 L114 E115 | Q55-L59 PolarHBondContact O-N 2.87Å; Q55-L59 VanDerWaalsContact O-N 3.09Å; E56-L59 PolarHBondContact O-N 2.99Å; L59-L61 PolarHBondContact O-N 2.68Å; L59-L62 PolarHBondContact O-N 2.91Å; L59-R63 WeakPolarHBondContact O-CB 3.41Å; L59-R63 PolarHBondContact O-N 3Å; L59-L114 HydrophobicContact CD2-CB 3.77Å; L59-E115 HydrophobicContact CD1-CG 3.81Å; L59-E115 HydrophobicContact CD2-CG 3.87Å |
| 60 | E | 92.6 | Very high | 90.2 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 178.1 | -169.8 | 57.5 | -156 | 0 | 0 | 112.2 | E56 F57 N58 L62 R63 I64 | E56-E60 PolarHBondContact O-N 3.29Å; F57-E60 PolarHBondContact O-N 2.9Å; N58-E60 VanDerWaalsContact C-N 3.34Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.35Å; E60-R63 WeakPolarHBondContact O-CB 3.31Å; E60-R63 PolarHBondContact O-N 3.45Å; E60-R63 WeakPolarHBondContact OE2-CD 3.34Å; E60-I64 HydrophobicContact CG-CD1 4.15Å; E60-I64 VanDerWaalsContact O-CG1 3.31Å; E60-I64 WeakPolarHBondContact O-CG1 3.27Å; E60-I64 PolarHBondContact O-N 3.46Å |
| 61 | L | 95 | Very high | 90.5 | Very high | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 172.5 | -73.8 | -174.3 | 0 | 0 | 0 | 112.7 | F57 N58 L59 S65 F162 I165 V166 | F57-L61 HydrophobicContact CD1-CD1 3.97Å; F57-L61 HydrophobicContact CD1-CG 4.08Å; F57-L61 HydrophobicContact CE1-CD1 3.48Å; F57-L61 VanDerWaalsContact CE1-CD1 3.48Å; F57-L61 HydrophobicContact CE1-CD2 4.09Å; F57-L61 HydrophobicContact CE1-CG 3.71Å; F57-L61 HydrophobicContact CZ-CD1 4.31Å; F57-L61 HydrophobicContact CZ-CD2 4.11Å; F57-L61 HydrophobicContact CZ-CG 4.2Å; F57-L61 WeakPolarHBondContact O-CG 3.27Å; F57-L61 PolarHBondContact O-N 3.13Å; N58-L61 PolarHBondContact O-N 3.47Å; L59-L61 PolarHBondContact O-N 2.68Å; L61-S65 WeakPolarHBondContact O-CB 3.26Å; L61-S65 PolarHBondContact O-N 2.98Å; L61-S65 PolarHBondContact O-OG 3.14Å; L61-F162 HydrophobicContact CB-CB 4.32Å; L61-F162 HydrophobicContact CD2-CB 4.41Å; L61-F162 HydrophobicContact CD2-CD1 3.74Å; L61-F162 HydrophobicContact CD2-CD2 4.43Å; L61-F162 HydrophobicContact CD2-CE1 4.03Å; L61-F162 HydrophobicContact CD2-CG 3.95Å; L61-I165 HydrophobicContact CD1-CB 4.06Å; L61-I165 HydrophobicContact CD1-CG2 3.58Å; L61-V166 HydrophobicContact CB-CG2 3.83Å; L61-V166 HydrophobicContact CD1-CG2 4Å |
| 62 | L | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.3 | -41 | 174.3 | -67.7 | -178.2 | 0 | 0 | 0 | 111.3 | N58 L59 E60 S65 L66 I107 L110 M111 L114 L163 V166 | N58-L62 WeakPolarHBondContact O-CG 3.28Å; N58-L62 PolarHBondContact O-N 3.38Å; L59-L62 PolarHBondContact O-N 2.91Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.35Å; L62-S65 WeakPolarHBondContact O-CB 3.48Å; L62-S65 PolarHBondContact O-N 2.97Å; L62-L66 WeakPolarHBondContact O-CB 3.34Å; L62-L66 PolarHBondContact O-N 2.87Å; L62-I107 HydrophobicContact CB-CG2 4.19Å; L62-I107 HydrophobicContact CD2-CG2 4.45Å; L62-I107 WeakPolarHBondContact O-CG2 3.34Å; L62-L110 HydrophobicContact CD1-CB 3.92Å; L62-L110 HydrophobicContact CD2-CD1 4.48Å; L62-M111 HydrophobicContact CB-CG 3.54Å; L62-M111 HydrophobicContact CB-SD 4.1Å; L62-M111 HydrophobicContact CD1-CG 3.77Å; L62-M111 HydrophobicContact CG-CG 4.31Å; L62-L114 HydrophobicContact CD1-CD1 3.7Å; L62-L163 HydrophobicContact CD2-CD2 3.56Å; L62-V166 HydrophobicContact CD1-CG1 4.27Å; L62-V166 HydrophobicContact CD2-CB 4.33Å; L62-V166 HydrophobicContact CD2-CG1 4.14Å; L62-V166 HydrophobicContact CD2-CG2 4.15Å; L62-V166 HydrophobicContact CG-CG1 4.22Å; L62-V166 HydrophobicContact CG-CG2 4.17Å |
| 63 | R | 94.5 | Very high | 91.2 | Very high | 67 Ų | 67 | 41.2 Ų | 41.2 | 25% | 0.253 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 176.7 | -171.9 | -177.4 | -177.8 | 105.1 | 5.2 | 111.9 | L59 E60 S65 L66 L67 M111 | L59-R63 WeakPolarHBondContact O-CB 3.41Å; L59-R63 PolarHBondContact O-N 3Å; E60-R63 WeakPolarHBondContact O-CB 3.31Å; E60-R63 PolarHBondContact O-N 3.45Å; E60-R63 WeakPolarHBondContact OE2-CD 3.34Å; R63-S65 VanDerWaalsContact C-N 3.33Å; R63-S65 PolarHBondContact O-N 3.44Å; R63-L66 WeakPolarHBondContact O-CB 3.49Å; R63-L66 PolarHBondContact O-N 2.71Å; R63-L67 WeakPolarHBondContact O-CG 3.47Å; R63-L67 PolarHBondContact O-N 3.31Å; R63-M111 HydrophobicContact CB-CE 4.19Å |
| 64 | I | 92.9 | Very high | 91.4 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 26% | 0.256 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 176.1 | -66.5 | 165.4 | 0 | 0 | 0 | 110.2 | E60 L66 L67 L68 F162 | E60-I64 HydrophobicContact CG-CD1 4.15Å; E60-I64 VanDerWaalsContact O-CG1 3.31Å; E60-I64 WeakPolarHBondContact O-CG1 3.27Å; E60-I64 PolarHBondContact O-N 3.46Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.04Å; I64-L67 PolarHBondContact O-N 2.96Å; I64-L68 HydrophobicContact CG2-CD1 4.31Å; I64-L68 WeakPolarHBondContact O-CG 3.33Å; I64-L68 PolarHBondContact O-N 3.07Å; I64-F162 HydrophobicContact CB-CE2 4.43Å; I64-F162 HydrophobicContact CG2-CD2 4.25Å; I64-F162 HydrophobicContact CG2-CE2 3.69Å |
| 65 | S | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.8 | -45.4 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | L61 L62 R63 L67 L68 I69 F162 | L61-S65 WeakPolarHBondContact O-CB 3.26Å; L61-S65 PolarHBondContact O-N 2.98Å; L61-S65 PolarHBondContact O-OG 3.14Å; L62-S65 WeakPolarHBondContact O-CB 3.48Å; L62-S65 PolarHBondContact O-N 2.97Å; R63-S65 VanDerWaalsContact C-N 3.33Å; R63-S65 PolarHBondContact O-N 3.44Å; S65-L67 PolarHBondContact O-N 3.02Å; S65-L68 PolarHBondContact O-N 3.47Å; S65-I69 WeakPolarHBondContact O-CG1 3.26Å; S65-I69 PolarHBondContact O-N 3.04Å; S65-F162 WeakPolarHBondContact OG-CB 3.47Å |
| 66 | L | 96.1 | Very high | 91.5 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 177.2 | -174.9 | 64.8 | 0 | 0 | 0 | 111.8 | L62 R63 I64 L68 I69 Q70 E104 I107 Q108 M111 | L62-L66 WeakPolarHBondContact O-CB 3.34Å; L62-L66 PolarHBondContact O-N 2.87Å; R63-L66 WeakPolarHBondContact O-CB 3.49Å; R63-L66 PolarHBondContact O-N 2.71Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.04Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 3.18Å; L66-I69 PolarHBondContact O-N 3.28Å; L66-Q70 HydrophobicContact CD1-CG 4.45Å; L66-Q70 HydrophobicContact CG-CG 4.49Å; L66-Q70 WeakPolarHBondContact O-CB 3.44Å; L66-Q70 VanDerWaalsContact O-CG 3.3Å; L66-Q70 WeakPolarHBondContact O-CG 3.37Å; L66-Q70 PolarHBondContact O-N 3.12Å; L66-E104 HydrophobicContact CD1-CB 4.42Å; L66-E104 HydrophobicContact CD1-CG 3.56Å; L66-I107 HydrophobicContact CB-CG2 3.99Å; L66-I107 HydrophobicContact CD1-CG2 4.36Å; L66-Q108 HydrophobicContact CD1-CG 3.92Å; L66-Q108 HydrophobicContact CD2-CG 4.06Å; L66-M111 HydrophobicContact CD2-SD 4.15Å |
| 67 | L | 94.3 | Very high | 91.1 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 177.8 | -70.7 | 173.5 | 0 | 0 | 0 | 112.1 | R63 I64 S65 Q70 S71 | R63-L67 WeakPolarHBondContact O-CG 3.47Å; R63-L67 PolarHBondContact O-N 3.31Å; I64-L67 PolarHBondContact O-N 2.96Å; S65-L67 PolarHBondContact O-N 3.02Å; L67-Q70 PolarHBondContact O-N 3.3Å; L67-S71 WeakPolarHBondContact O-CB 3.08Å; L67-S71 PolarHBondContact O-N 2.96Å |
| 68 | L | 94.8 | Very high | 90.4 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 175.5 | -71.8 | 172.8 | 0 | 0 | 0 | 110.7 | I64 S65 L66 Q70 S71 W72 Y129 D155 K158 V159 | I64-L68 HydrophobicContact CG2-CD1 4.31Å; I64-L68 WeakPolarHBondContact O-CG 3.33Å; I64-L68 PolarHBondContact O-N 3.07Å; S65-L68 PolarHBondContact O-N 3.47Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 3.18Å; L68-Q70 PolarHBondContact O-N 3.5Å; L68-S71 PolarHBondContact O-N 3.19Å; L68-S71 PolarHBondContact O-OG 3.4Å; L68-W72 PolarHBondContact O-N 2.92Å; L68-Y129 HydrophobicContact CD2-CE2 4.11Å; L68-D155 HydrophobicContact CD2-CB 4.22Å; L68-K158 HydrophobicContact CD1-CB 4.34Å; L68-K158 HydrophobicContact CD1-CD 4.46Å; L68-V159 HydrophobicContact CB-CG2 3.87Å; L68-V159 HydrophobicContact CD1-CG2 3.88Å |
| 69 | I | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.6 | -48.9 | 178 | -66.2 | -61.4 | 0 | 0 | 0 | 111.3 | S65 L66 S71 W72 L73 L100 L103 E104 I107 M156 V159 | S65-I69 WeakPolarHBondContact O-CG1 3.26Å; S65-I69 PolarHBondContact O-N 3.04Å; L66-I69 PolarHBondContact O-N 3.28Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.34Å; I69-W72 PolarHBondContact O-N 2.82Å; I69-W72 VanDerWaalsContact O-N 3.08Å; I69-L73 PolarHBondContact O-N 3.44Å; I69-L100 HydrophobicContact CD1-CD2 3.61Å; I69-L100 HydrophobicContact CG2-CB 4.25Å; I69-L100 HydrophobicContact CG2-CD2 4.42Å; I69-L100 WeakPolarHBondContact CG2-O 3.3Å; I69-L103 HydrophobicContact CD1-CD2 3.57Å; I69-L103 HydrophobicContact CD1-CG 4.23Å; I69-L103 HydrophobicContact CG1-CD2 4.17Å; I69-L103 HydrophobicContact CG1-CG 4.36Å; I69-E104 HydrophobicContact CG2-CB 3.96Å; I69-I107 HydrophobicContact CG1-CD1 4.2Å; I69-M156 HydrophobicContact CD1-CE 3.93Å; I69-M156 HydrophobicContact CD1-SD 3.75Å; I69-V159 HydrophobicContact CD1-CG1 4.23Å; I69-V159 HydrophobicContact CD1-CG2 4.24Å; I69-V159 HydrophobicContact CG1-CG1 4.37Å; I69-V159 HydrophobicContact CG1-CG2 4.34Å |
| 70 | Q | 93.4 | Very high | 88.5 | Confident | 75 Ų | 75 | 45.6 Ų | 45.6 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 179.1 | -73.4 | 176.9 | -21.5 | 0 | 0 | 112.5 | L66 L67 L68 W72 L73 E104 | L66-Q70 HydrophobicContact CD1-CG 4.45Å; L66-Q70 HydrophobicContact CG-CG 4.49Å; L66-Q70 WeakPolarHBondContact O-CB 3.44Å; L66-Q70 VanDerWaalsContact O-CG 3.3Å; L66-Q70 WeakPolarHBondContact O-CG 3.37Å; L66-Q70 PolarHBondContact O-N 3.12Å; L67-Q70 PolarHBondContact O-N 3.3Å; L68-Q70 PolarHBondContact O-N 3.5Å; Q70-W72 PolarHBondContact O-N 3.27Å; Q70-L73 PolarHBondContact O-N 3.49Å; Q70-E104 HydrophobicContact CG-CG 4.3Å; Q70-E104 WeakPolarHBondContact CG-OE1 3.42Å; Q70-E104 PolarHBondContact NE2-OE1 2.87Å |
| 71 | S | 92.4 | Very high | 87.2 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -23.5 | 177.5 | 78.3 | 0 | 0 | 0 | 0 | 113.5 | L67 L68 I69 P75 Y129 | L67-S71 WeakPolarHBondContact O-CB 3.08Å; L67-S71 PolarHBondContact O-N 2.96Å; L68-S71 PolarHBondContact O-N 3.19Å; L68-S71 PolarHBondContact O-OG 3.4Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.34Å; S71-P75 WeakPolarHBondContact O-CD 3.34Å; S71-P75 WeakPolarHBondContact O-CG 3.41Å; S71-Y129 VanDerWaalsContact CB-CD1 3.45Å |
| 72 | W | 92 | Very high | 85.9 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -94.7 | -10.5 | -178.2 | -80 | 108 | 0 | 0 | 0 | 114.3 | L68 I69 Q70 E74 P75 V76 L100 L148 C151 F152 D155 M156 | L68-W72 PolarHBondContact O-N 2.92Å; I69-W72 PolarHBondContact O-N 2.82Å; I69-W72 VanDerWaalsContact O-N 3.08Å; Q70-W72 PolarHBondContact O-N 3.27Å; W72-E74 VanDerWaalsContact C-N 3.32Å; W72-E74 PolarHBondContact O-N 2.95Å; W72-P75 HydrophobicContact CE3-CB 3.72Å; W72-P75 HydrophobicContact CE3-CG 4.26Å; W72-P75 HydrophobicContact CZ3-CB 3.82Å; W72-P75 WeakPolarHBondContact O-CD 3.28Å; W72-V76 VanDerWaalsContact O-CB 3.25Å; W72-V76 WeakPolarHBondContact O-CB 3.39Å; W72-V76 WeakPolarHBondContact O-CG1 3.46Å; W72-V76 PolarHBondContact O-N 3.38Å; W72-L100 HydrophobicContact CB-CD1 4.17Å; W72-L148 HydrophobicContact CH2-CD2 4.24Å; W72-L148 VanDerWaalsContact CH2-O 3.25Å; W72-L148 WeakPolarHBondContact CH2-O 3.43Å; W72-L148 HydrophobicContact CZ3-CD2 4.29Å; W72-C151 HydrophobicContact CH2-CB 3.77Å; W72-C151 VanDerWaalsContact CZ2-C 3.47Å; W72-C151 HydrophobicContact CZ2-CB 3.65Å; W72-F152 HydrophobicContact CB-CD2 4.29Å; W72-F152 HydrophobicContact CB-CE2 4.32Å; W72-F152 HydrophobicContact CD2-CB 4.35Å; W72-F152 AromaticContact CD2-CD2 3.63Å; W72-F152 HydrophobicContact CD2-CD2 3.63Å; W72-F152 HydrophobicContact CD2-CE2 4.5Å; W72-F152 HydrophobicContact CD2-CG 4.5Å; W72-F152 HydrophobicContact CE3-CB 4.08Å; W72-F152 AromaticContact CE3-CD2 3.65Å; W72-F152 HydrophobicContact CE3-CD2 3.65Å; W72-F152 HydrophobicContact CE3-CG 4.32Å; W72-F152 AromaticContact CG-CD2 3.89Å; W72-F152 HydrophobicContact CG-CD2 3.89Å; W72-F152 HydrophobicContact CG-CE2 4.35Å; W72-F152 HydrophobicContact CH2-CB 3.83Å; W72-F152 VanDerWaalsContact CZ2-CA 3.49Å; W72-F152 HydrophobicContact CZ2-CB 4.09Å; W72-F152 VanDerWaalsContact CZ2-N 3.25Å; W72-F152 HydrophobicContact CZ3-CB 3.82Å; W72-F152 HydrophobicContact CZ3-CD2 4.26Å; W72-D155 PolarHBondContact NE1-OD2 3.43Å; W72-M156 HydrophobicContact CG-CE 4.26Å |
| 73 | L | 88.3 | Confident | 84.4 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -37.9 | -179.8 | -70 | 175.4 | 0 | 0 | 0 | 113.6 | I69 Q70 Q77 Y97 L100 K101 | I69-L73 PolarHBondContact O-N 3.44Å; Q70-L73 PolarHBondContact O-N 3.49Å; L73-Q77 WeakPolarHBondContact O-CG 3.4Å; L73-Q77 PolarHBondContact O-NE2 2.78Å; L73-Y97 HydrophobicContact CB-CE2 4.33Å; L73-Y97 HydrophobicContact CD2-CD2 4.4Å; L73-Y97 HydrophobicContact CD2-CE2 4.12Å; L73-L100 HydrophobicContact CD2-CB 3.91Å; L73-K101 HydrophobicContact CD1-CD 4.34Å; L73-K101 HydrophobicContact CD2-CD 3.91Å; L73-K101 HydrophobicContact CD2-CG 4.08Å |
| 74 | E | 85.1 | Confident | 82.7 | Confident | 120 Ų | 120 | 50.9 Ų | 50.9 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -52 | 176.5 | -66.2 | -63.9 | 159.8 | 0 | 0 | 112.1 | W72 V76 Q77 | W72-E74 VanDerWaalsContact C-N 3.32Å; W72-E74 PolarHBondContact O-N 2.95Å; E74-V76 VanDerWaalsContact C-N 3.28Å; E74-V76 PolarHBondContact O-N 2.95Å; E74-Q77 WeakPolarHBondContact O-CB 3.32Å; E74-Q77 PolarHBondContact O-N 3.32Å; E74-Q77 VanDerWaalsContact O-N 3.1Å |
| 75 | P | 82.9 | Confident | 80.9 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -32.2 | -179 | -24.3 | 34 | 0 | 0 | 0 | 114.5 | S71 W72 Q77 L78 L79 | S71-P75 WeakPolarHBondContact O-CD 3.34Å; S71-P75 WeakPolarHBondContact O-CG 3.41Å; W72-P75 HydrophobicContact CE3-CB 3.72Å; W72-P75 HydrophobicContact CE3-CG 4.26Å; W72-P75 HydrophobicContact CZ3-CB 3.82Å; W72-P75 WeakPolarHBondContact O-CD 3.28Å; P75-Q77 PolarHBondContact O-N 2.86Å; P75-L78 WeakPolarHBondContact O-CB 3.38Å; P75-L78 PolarHBondContact O-N 3.47Å; P75-L78 VanDerWaalsContact O-N 3.09Å; P75-L79 PolarHBondContact O-N 3.28Å |
| 76 | V | 83.8 | Confident | 79.1 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -25.4 | 180 | 81.8 | 0 | 0 | 0 | 0 | 112.4 | W72 E74 L78 L79 R80 F83 V96 Y97 L100 | W72-V76 VanDerWaalsContact O-CB 3.25Å; W72-V76 WeakPolarHBondContact O-CB 3.39Å; W72-V76 WeakPolarHBondContact O-CG1 3.46Å; W72-V76 PolarHBondContact O-N 3.38Å; E74-V76 VanDerWaalsContact C-N 3.28Å; E74-V76 PolarHBondContact O-N 2.95Å; V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L78 PolarHBondContact O-N 3Å; V76-L79 PolarHBondContact O-N 3.43Å; V76-R80 PolarHBondContact O-N 3.49Å; V76-F83 HydrophobicContact CG2-CE2 3.96Å; V76-V96 HydrophobicContact CG2-CB 3.94Å; V76-V96 HydrophobicContact CG2-CG1 3.6Å; V76-Y97 HydrophobicContact CG1-CD2 4.04Å; V76-L100 HydrophobicContact CB-CD1 4.09Å; V76-L100 HydrophobicContact CG1-CD1 3.92Å; V76-L100 HydrophobicContact CG2-CD1 4.22Å |
| 77 | Q | 77.7 | Confident | 76.9 | Confident | 89 Ų | 89 | 65 Ų | 65 | 42% | 0.416 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.6 | -32.4 | 176.2 | -60.7 | 175.5 | 35.8 | 0 | 0 | 111 | L73 E74 P75 L79 R80 Y97 | L73-Q77 WeakPolarHBondContact O-CG 3.4Å; L73-Q77 PolarHBondContact O-NE2 2.78Å; E74-Q77 WeakPolarHBondContact O-CB 3.32Å; E74-Q77 PolarHBondContact O-N 3.32Å; E74-Q77 VanDerWaalsContact O-N 3.1Å; P75-Q77 PolarHBondContact O-N 2.86Å; Q77-L79 VanDerWaalsContact C-N 3.29Å; Q77-R80 WeakPolarHBondContact O-CB 3.38Å; Q77-R80 PolarHBondContact O-N 2.9Å; Q77-Y97 HydrophobicContact CG-CD2 4.08Å; Q77-Y97 HydrophobicContact CG-CE2 4.44Å |
| 78 | L | 73.6 | Confident | 75 | Confident | 118 Ų | 118 | 69.2 Ų | 69.2 | 62% | 0.618 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.4 | -29.1 | 173.5 | -61 | 170.4 | 0 | 0 | 0 | 112.1 | P75 V76 R80 | P75-L78 WeakPolarHBondContact O-CB 3.38Å; P75-L78 PolarHBondContact O-N 3.47Å; P75-L78 VanDerWaalsContact O-N 3.09Å; V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L78 PolarHBondContact O-N 3Å; L78-R80 VanDerWaalsContact C-N 3.3Å |
| 79 | L | 72 | Confident | 72.7 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -2.3 | 176.7 | -64.7 | 176.5 | 0 | 0 | 0 | 113.4 | P75 V76 Q77 S81 V82 F83 L148 L149 | P75-L79 PolarHBondContact O-N 3.28Å; V76-L79 PolarHBondContact O-N 3.43Å; Q77-L79 VanDerWaalsContact C-N 3.29Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.38Å; L79-V82 WeakPolarHBondContact O-CB 3.49Å; L79-V82 PolarHBondContact O-N 3.08Å; L79-F83 HydrophobicContact CB-CD2 3.73Å; L79-F83 HydrophobicContact CB-CE2 3.38Å; L79-F83 HydrophobicContact CB-CZ 4.31Å; L79-F83 HydrophobicContact CD1-CE2 3.96Å; L79-F83 HydrophobicContact CD1-CZ 4.23Å; L79-F83 HydrophobicContact CG-CE2 4.33Å; L79-F83 WeakPolarHBondContact O-CD2 3Å; L79-F83 PolarHBondContact O-N 3.29Å; L79-L148 HydrophobicContact CD1-CB 4.15Å; L79-L148 HydrophobicContact CD2-CB 3.98Å; L79-L148 HydrophobicContact CD2-CD1 4.32Å; L79-L148 HydrophobicContact CG-CB 4.43Å; L79-L149 HydrophobicContact CD1-CD2 4.07Å; L79-L149 HydrophobicContact CD1-CG 4.43Å; L79-L149 HydrophobicContact CD2-CG 4.29Å |
| 80 | R | 70.8 | Confident | 70.2 | Confident | 198 Ų | 198 | 81.7 Ų | 81.7 | 75% | 0.747 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -53.2 | -43.2 | -176.2 | -177.9 | 179.5 | 177.3 | -179.3 | -0 | 113.1 | V76 Q77 L78 A84 | V76-R80 PolarHBondContact O-N 3.49Å; Q77-R80 WeakPolarHBondContact O-CB 3.38Å; Q77-R80 PolarHBondContact O-N 2.9Å; L78-R80 VanDerWaalsContact C-N 3.3Å; R80-A84 VanDerWaalsContact O-CB 3.3Å; R80-A84 WeakPolarHBondContact O-CB 3.3Å; R80-A84 PolarHBondContact O-N 3.31Å |
| 81 | S | 64.8 | Low | 67.9 | Low | 72 Ų | 72 | 83.2 Ų | 83.2 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.1 | -35.1 | 178.8 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | L79 N85 | L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.38Å; S81-N85 PolarHBondContact O-N 3.23Å; S81-N85 PolarHBondContact O-ND2 3.45Å; S81-N85 VanDerWaalsContact O-ND2 3.14Å |
| 82 | V | 66.9 | Low | 65.7 | Low | 41 Ų | 41 | 86.5 Ų | 86.5 | 25% | 0.248 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -68.4 | -43.6 | 178 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | L79 N85 N145 L149 | L79-V82 WeakPolarHBondContact O-CB 3.49Å; L79-V82 PolarHBondContact O-N 3.08Å; V82-N85 PolarHBondContact O-N 3.37Å; V82-N145 HydrophobicContact CG2-CB 4.32Å; V82-L149 HydrophobicContact CG1-CD1 3.86Å |
| 83 | F | 64.3 | Low | 63.7 | Low | 61 Ų | 61 | 92.8 Ų | 92.8 | 27% | 0.268 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 175.7 | -68.2 | -60.2 | 0 | 0 | 0 | 112.9 | V76 L79 N85 S86 V96 L149 F152 | V76-F83 HydrophobicContact CG2-CE2 3.96Å; L79-F83 HydrophobicContact CB-CD2 3.73Å; L79-F83 HydrophobicContact CB-CE2 3.38Å; L79-F83 HydrophobicContact CB-CZ 4.31Å; L79-F83 HydrophobicContact CD1-CE2 3.96Å; L79-F83 HydrophobicContact CD1-CZ 4.23Å; L79-F83 HydrophobicContact CG-CE2 4.33Å; L79-F83 WeakPolarHBondContact O-CD2 3Å; L79-F83 PolarHBondContact O-N 3.29Å; F83-N85 PolarHBondContact O-N 2.69Å; F83-S86 PolarHBondContact O-N 3Å; F83-S86 PolarHBondContact O-OG 3.33Å; F83-V96 HydrophobicContact CD1-CG2 4.46Å; F83-V96 HydrophobicContact CD2-CG2 4.23Å; F83-V96 HydrophobicContact CE2-CG2 4.4Å; F83-V96 HydrophobicContact CG-CG2 4.26Å; F83-L149 HydrophobicContact CD1-CD2 4.46Å; F83-L149 HydrophobicContact CE1-CD2 3.53Å; F83-L149 HydrophobicContact CE2-CD2 4.24Å; F83-L149 HydrophobicContact CZ-CD2 3.4Å; F83-F152 HydrophobicContact CZ-CD1 4.33Å; F83-F152 HydrophobicContact CZ-CE1 4.44Å |
| 84 | A | 59.5 | Low | 62.2 | Low | 72 Ų | 72 | 94 Ų | 94 | 60% | 0.595 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.8 | -27.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R80 | R80-A84 VanDerWaalsContact O-CB 3.3Å; R80-A84 WeakPolarHBondContact O-CB 3.3Å; R80-A84 PolarHBondContact O-N 3.31Å |
| 85 | N | 55.6 | Low | 61.7 | Low | 131 Ų | 131 | 92 Ų | 92 | 70% | 0.701 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -9 | -179.4 | -69.6 | -20.1 | 0 | 0 | 0 | 113.8 | S81 V82 F83 L87 | S81-N85 PolarHBondContact O-N 3.23Å; S81-N85 PolarHBondContact O-ND2 3.45Å; S81-N85 VanDerWaalsContact O-ND2 3.14Å; V82-N85 PolarHBondContact O-N 3.37Å; F83-N85 PolarHBondContact O-N 2.69Å; N85-L87 PolarHBondContact O-N 3.23Å |
| 86 | S | 57.7 | Low | 61.8 | Low | 56 Ų | 56 | 92.5 Ų | 92.5 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | trans | -78.8 | 105 | 179.6 | 87 | 0 | 0 | 0 | 0 | 109.8 | F83 V88 | F83-S86 PolarHBondContact O-N 3Å; F83-S86 PolarHBondContact O-OG 3.33Å; S86-V88 PolarHBondContact O-N 2.93Å | ||
| 87 | L | 51.4 | Low | 61.9 | Low | 180 Ų | 180 | 96.5 Ų | 96.5 | 94% | 0.942 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 2.8 | 173.5 | -74.5 | 161.1 | 0 | 0 | 0 | 114 | N85 | N85-L87 PolarHBondContact O-N 3.23Š|
| 88 | V | 53.4 | Low | 62.4 | Low | 135 Ų | 135 | 98.2 Ų | 98.2 | 82% | 0.818 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -12.9 | -170.3 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | S86 | S86-V88 PolarHBondContact O-N 2.93Š|
| 89 | Y | 47.4 | Very low | 63.2 | Low | 203 Ų | 203 | 97.4 Ų | 97.4 | 80% | 0.796 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -136.4 | 106.9 | 172 | -139.2 | -102.6 | 0 | 0 | 0 | 107.9 | A91 | Y89-A91 PolarHBondContact O-N 3.07Å; Y89-A91 VanDerWaalsContact O-N 3.12Å |
| 90 | G | 41.8 | Very low | 64.2 | Low | 68 Ų | 68 | 97.7 Ų | 97.7 | 70% | 0.701 | 54% | 0.541 | S | S | * | . | trans | -43.8 | 122.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S92 | G90-S92 PolarHBondContact O-N 3Š| ||
| 91 | A | 44.5 | Very low | 65.2 | Low | 107 Ų | 107 | 91.2 Ų | 91.2 | 88% | 0.884 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 41 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y89 | Y89-A91 PolarHBondContact O-N 3.07Å; Y89-A91 VanDerWaalsContact O-N 3.12Å |
| 92 | S | 47.1 | Very low | 66.6 | Low | 102 Ų | 102 | 92.1 Ų | 92.1 | 71% | 0.713 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -39.4 | -173.4 | -166.6 | 0 | 0 | 0 | 0 | 115.9 | G90 | G90-S92 PolarHBondContact O-N 3Š|
| 93 | D | 48.7 | Very low | 68 | Low | 145 Ų | 145 | 93 Ų | 93 | 78% | 0.775 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -120.1 | 4.6 | -152.2 | -108.4 | -1.7 | 0 | 0 | 0 | 121.4 | ||
| 94 | S | 57 | Low | 69.4 | Low | 43 Ų | 43 | 90.9 Ų | 90.9 | 30% | 0.301 | 51% | 0.511 | S | S | . | . | trans | -178.8 | 131.9 | 151.4 | -98.1 | 0 | 0 | 0 | 0 | 112.5 | V96 H99 | S94-V96 PolarHBondContact O-N 3.31Å; S94-H99 WeakPolarHBondContact CB-CE1 3.41Å; S94-H99 WeakPolarHBondContact CB-ND1 3.34Å; S94-H99 WeakPolarHBondContact CB-NE2 3.49Å; S94-H99 PolarHBondContact O-CE1 2.86Å | ||
| 95 | N | 75.4 | Confident | 71.1 | Confident | 78 Ų | 78 | 93 Ų | 93 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | trans | -63.5 | 137.1 | 168.9 | 67.2 | 63.5 | 0 | 0 | 0 | 109.4 | Y97 R98 H99 | N95-Y97 PolarHBondContact O-N 3.4Å; N95-Y97 VanDerWaalsContact O-N 3.15Å; N95-R98 WeakPolarHBondContact O-CB 3.45Å; N95-R98 PolarHBondContact O-N 3.01Å; N95-R98 WeakPolarHBondContact OD1-CA 3.44Å; N95-R98 WeakPolarHBondContact OD1-CB 3.4Å; N95-R98 PolarHBondContact OD1-N 3.14Å; N95-H99 PolarHBondContact O-N 3.02Å; N95-H99 PolarHBondContact O-ND1 2.91Å | ||
| 96 | V | 84.4 | Confident | 72.9 | Confident | 40 Ų | 40 | 88.3 Ų | 88.3 | 24% | 0.242 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -54.6 | -35.5 | -177.4 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | V76 F83 S94 R98 H99 L100 F152 | V76-V96 HydrophobicContact CG2-CB 3.94Å; V76-V96 HydrophobicContact CG2-CG1 3.6Å; F83-V96 HydrophobicContact CD1-CG2 4.46Å; F83-V96 HydrophobicContact CD2-CG2 4.23Å; F83-V96 HydrophobicContact CE2-CG2 4.4Å; F83-V96 HydrophobicContact CG-CG2 4.26Å; S94-V96 PolarHBondContact O-N 3.31Å; V96-R98 VanDerWaalsContact C-N 3.34Å; V96-R98 PolarHBondContact O-N 3.07Å; V96-H99 PolarHBondContact O-N 2.9Å; V96-L100 HydrophobicContact CG1-CD1 4.46Å; V96-L100 WeakPolarHBondContact O-CG 3.45Å; V96-L100 PolarHBondContact O-N 3.3Å; V96-F152 HydrophobicContact CG1-CE1 4.08Å; V96-F152 HydrophobicContact CG1-CE2 4.4Å; V96-F152 HydrophobicContact CG1-CZ 3.57Å |
| 97 | Y | 86.5 | Confident | 74.7 | Confident | 88 Ų | 88 | 85.7 Ų | 85.7 | 35% | 0.345 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 174.7 | 178.8 | -88.2 | 0 | 0 | 0 | 113.1 | L73 V76 Q77 N95 L100 K101 | L73-Y97 HydrophobicContact CB-CE2 4.33Å; L73-Y97 HydrophobicContact CD2-CD2 4.4Å; L73-Y97 HydrophobicContact CD2-CE2 4.12Å; V76-Y97 HydrophobicContact CG1-CD2 4.04Å; Q77-Y97 HydrophobicContact CG-CD2 4.08Å; Q77-Y97 HydrophobicContact CG-CE2 4.44Å; N95-Y97 PolarHBondContact O-N 3.4Å; N95-Y97 VanDerWaalsContact O-N 3.15Å; Y97-L100 PolarHBondContact O-N 3.47Å; Y97-K101 HydrophobicContact CD1-CG 4.24Å; Y97-K101 HydrophobicContact CE1-CG 3.71Å; Y97-K101 PolarHBondContact O-N 3.47Å |
| 98 | R | 88.6 | Confident | 76.8 | Confident | 124 Ų | 124 | 81.1 Ų | 81.1 | 47% | 0.468 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 178.5 | -176.8 | -175 | -64 | 153.9 | -3.6 | 110.3 | N95 V96 L100 K101 D102 | N95-R98 WeakPolarHBondContact O-CB 3.45Å; N95-R98 PolarHBondContact O-N 3.01Å; N95-R98 WeakPolarHBondContact OD1-CA 3.44Å; N95-R98 WeakPolarHBondContact OD1-CB 3.4Å; N95-R98 PolarHBondContact OD1-N 3.14Å; V96-R98 VanDerWaalsContact C-N 3.34Å; V96-R98 PolarHBondContact O-N 3.07Å; R98-L100 VanDerWaalsContact C-N 3.28Å; R98-L100 PolarHBondContact O-N 3.36Å; R98-K101 WeakPolarHBondContact O-CA 3.46Å; R98-K101 WeakPolarHBondContact O-CB 3.3Å; R98-K101 PolarHBondContact O-N 3.14Å; R98-D102 PolarHBondContact O-N 3.43Å |
| 99 | H | 89.8 | Confident | 78.6 | Confident | 101 Ų | 101 | 78.1 Ų | 78.1 | 47% | 0.468 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 174.2 | -64.7 | 111.3 | 0 | 0 | 0 | 112.5 | S94 N95 V96 K101 L103 | S94-H99 WeakPolarHBondContact CB-CE1 3.41Å; S94-H99 WeakPolarHBondContact CB-ND1 3.34Å; S94-H99 WeakPolarHBondContact CB-NE2 3.49Å; S94-H99 PolarHBondContact O-CE1 2.86Å; N95-H99 PolarHBondContact O-N 3.02Å; N95-H99 PolarHBondContact O-ND1 2.91Å; V96-H99 PolarHBondContact O-N 2.9Å; H99-K101 VanDerWaalsContact C-N 3.32Å; H99-L103 WeakPolarHBondContact O-CB 3.48Å; H99-L103 PolarHBondContact O-N 3.17Å |
| 100 | L | 92 | Very high | 80.7 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 175.8 | -68.1 | 174.3 | 0 | 0 | 0 | 111.4 | I69 W72 L73 V76 V96 Y97 R98 E104 F152 M156 | I69-L100 HydrophobicContact CD1-CD2 3.61Å; I69-L100 HydrophobicContact CG2-CB 4.25Å; I69-L100 HydrophobicContact CG2-CD2 4.42Å; I69-L100 WeakPolarHBondContact CG2-O 3.3Å; W72-L100 HydrophobicContact CB-CD1 4.17Å; L73-L100 HydrophobicContact CD2-CB 3.91Å; V76-L100 HydrophobicContact CB-CD1 4.09Å; V76-L100 HydrophobicContact CG1-CD1 3.92Å; V76-L100 HydrophobicContact CG2-CD1 4.22Å; V96-L100 HydrophobicContact CG1-CD1 4.46Å; V96-L100 WeakPolarHBondContact O-CG 3.45Å; V96-L100 PolarHBondContact O-N 3.3Å; Y97-L100 PolarHBondContact O-N 3.47Å; R98-L100 VanDerWaalsContact C-N 3.28Å; R98-L100 PolarHBondContact O-N 3.36Å; L100-E104 WeakPolarHBondContact O-CB 2.99Å; L100-E104 PolarHBondContact O-N 3.4Å; L100-F152 HydrophobicContact CD1-CE2 4.01Å; L100-F152 HydrophobicContact CD2-CE2 4.09Å; L100-F152 HydrophobicContact CD2-CZ 4.34Å; L100-M156 HydrophobicContact CD2-CE 4.33Å; L100-M156 HydrophobicContact CD2-SD 3.66Å |
| 101 | K | 92.6 | Very high | 83.1 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 27% | 0.274 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.8 | -48.4 | 175.8 | -84 | -55.4 | -156.1 | 176.1 | 0 | 113.2 | L73 Y97 R98 H99 L103 E104 E105 | L73-K101 HydrophobicContact CD1-CD 4.34Å; L73-K101 HydrophobicContact CD2-CD 3.91Å; L73-K101 HydrophobicContact CD2-CG 4.08Å; Y97-K101 HydrophobicContact CD1-CG 4.24Å; Y97-K101 HydrophobicContact CE1-CG 3.71Å; Y97-K101 PolarHBondContact O-N 3.47Å; R98-K101 WeakPolarHBondContact O-CA 3.46Å; R98-K101 WeakPolarHBondContact O-CB 3.3Å; R98-K101 PolarHBondContact O-N 3.14Å; H99-K101 VanDerWaalsContact C-N 3.32Å; K101-L103 PolarHBondContact O-N 3.22Å; K101-E104 VanDerWaalsContact CD-OE2 3.27Å; K101-E104 WeakPolarHBondContact CD-OE2 3.31Å; K101-E104 IonicContact NZ-OE2 3.97Å; K101-E104 PolarHBondContact NZ-OE2 2.84Å; K101-E104 WeakPolarHBondContact O-CB 3.47Å; K101-E104 PolarHBondContact O-N 3.5Å; K101-E104 VanDerWaalsContact O-N 3.14Å; K101-E105 PolarHBondContact O-N 3.22Å |
| 102 | D | 93.8 | Very high | 85.1 | Confident | 90 Ų | 90 | 73.4 Ų | 73.4 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.4 | -37.8 | 177.2 | -61.3 | -14.2 | 0 | 0 | 0 | 110.4 | R98 G106 | R98-D102 PolarHBondContact O-N 3.43Å; D102-G106 PolarHBondContact O-N 2.85Å |
| 103 | L | 95.9 | Very high | 87 | Confident | 59 Ų | 59 | 77.4 Ų | 77.4 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.5 | -39.2 | 175.6 | -175.3 | 56.1 | 0 | 0 | 0 | 112.8 | I69 H99 K101 E105 G106 I107 V159 L163 | I69-L103 HydrophobicContact CD1-CD2 3.57Å; I69-L103 HydrophobicContact CD1-CG 4.23Å; I69-L103 HydrophobicContact CG1-CD2 4.17Å; I69-L103 HydrophobicContact CG1-CG 4.36Å; H99-L103 WeakPolarHBondContact O-CB 3.48Å; H99-L103 PolarHBondContact O-N 3.17Å; K101-L103 PolarHBondContact O-N 3.22Å; L103-E105 VanDerWaalsContact C-N 3.33Å; L103-E105 PolarHBondContact O-N 3.03Å; L103-G106 PolarHBondContact O-N 3.49Å; L103-I107 HydrophobicContact CD1-CD1 4.06Å; L103-I107 HydrophobicContact CD1-CG1 4.1Å; L103-I107 HydrophobicContact CG-CD1 3.94Å; L103-I107 HydrophobicContact CG-CG1 4.41Å; L103-I107 VanDerWaalsContact O-CG1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.46Å; L103-I107 PolarHBondContact O-N 2.99Å; L103-V159 HydrophobicContact CD2-CG1 4.12Å; L103-L163 HydrophobicContact CD1-CD1 3.93Å |
| 104 | E | 95.6 | Very high | 88.7 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.3 | -50.7 | 172.5 | -171.7 | -172.8 | -174.7 | 0 | 0 | 110.5 | L66 I69 Q70 L100 K101 I107 Q108 | L66-E104 HydrophobicContact CD1-CB 4.42Å; L66-E104 HydrophobicContact CD1-CG 3.56Å; I69-E104 HydrophobicContact CG2-CB 3.96Å; Q70-E104 HydrophobicContact CG-CG 4.3Å; Q70-E104 WeakPolarHBondContact CG-OE1 3.42Å; Q70-E104 PolarHBondContact NE2-OE1 2.87Å; L100-E104 WeakPolarHBondContact O-CB 2.99Å; L100-E104 PolarHBondContact O-N 3.4Å; K101-E104 VanDerWaalsContact CD-OE2 3.27Å; K101-E104 WeakPolarHBondContact CD-OE2 3.31Å; K101-E104 IonicContact NZ-OE2 3.97Å; K101-E104 PolarHBondContact NZ-OE2 2.84Å; K101-E104 WeakPolarHBondContact O-CB 3.47Å; K101-E104 PolarHBondContact O-N 3.5Å; K101-E104 VanDerWaalsContact O-N 3.14Å; E104-I107 PolarHBondContact O-N 2.85Å; E104-Q108 VanDerWaalsContact O-CG 3.31Å; E104-Q108 WeakPolarHBondContact O-CG 3.4Å; E104-Q108 PolarHBondContact O-N 3.06Å |
| 105 | E | 94.6 | Very high | 89.9 | Confident | 117 Ų | 117 | 74.9 Ų | 74.9 | 55% | 0.547 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 178.8 | -67.9 | 178.8 | -166.7 | 0 | 0 | 112.2 | K101 L103 Q108 T109 | K101-E105 PolarHBondContact O-N 3.22Å; L103-E105 VanDerWaalsContact C-N 3.33Å; L103-E105 PolarHBondContact O-N 3.03Å; E105-Q108 PolarHBondContact O-N 3.43Å; E105-T109 WeakPolarHBondContact O-CB 3.43Å; E105-T109 PolarHBondContact O-N 3.26Å; E105-T109 PolarHBondContact O-OG1 3.47Å |
| 106 | G | 93.9 | Very high | 89.5 | Confident | 32 Ų | 32 | 77.8 Ų | 77.8 | 33% | 0.33 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D102 L103 T109 L110 | D102-G106 PolarHBondContact O-N 2.85Å; L103-G106 PolarHBondContact O-N 3.49Å; G106-T109 PolarHBondContact O-N 3.27Å; G106-L110 WeakPolarHBondContact O-CG 3.09Å; G106-L110 PolarHBondContact O-N 3.27Å |
| 107 | I | 95.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 79.4 Ų | 79.4 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 177.8 | -68.2 | 170.3 | 0 | 0 | 0 | 110.8 | L62 L66 I69 L103 E104 T109 L110 M111 L163 | L62-I107 HydrophobicContact CB-CG2 4.19Å; L62-I107 HydrophobicContact CD2-CG2 4.45Å; L62-I107 WeakPolarHBondContact O-CG2 3.34Å; L66-I107 HydrophobicContact CB-CG2 3.99Å; L66-I107 HydrophobicContact CD1-CG2 4.36Å; I69-I107 HydrophobicContact CG1-CD1 4.2Å; L103-I107 HydrophobicContact CD1-CD1 4.06Å; L103-I107 HydrophobicContact CD1-CG1 4.1Å; L103-I107 HydrophobicContact CG-CD1 3.94Å; L103-I107 HydrophobicContact CG-CG1 4.41Å; L103-I107 VanDerWaalsContact O-CG1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.46Å; L103-I107 PolarHBondContact O-N 2.99Å; E104-I107 PolarHBondContact O-N 2.85Å; I107-T109 VanDerWaalsContact C-N 3.27Å; I107-T109 PolarHBondContact O-N 3Å; I107-L110 WeakPolarHBondContact O-CB 3.4Å; I107-L110 PolarHBondContact O-N 3.18Å; I107-L110 VanDerWaalsContact O-N 3.14Å; I107-M111 HydrophobicContact CG2-CG 4.42Å; I107-M111 HydrophobicContact CG2-SD 4.2Å; I107-M111 WeakPolarHBondContact O-CG 3.35Å; I107-M111 PolarHBondContact O-N 3.33Å; I107-L163 HydrophobicContact CD1-CD1 4.44Å; I107-L163 HydrophobicContact CD1-CD2 4.31Å; I107-L163 HydrophobicContact CG1-CD2 3.97Å |
| 108 | Q | 93.7 | Very high | 86.5 | Confident | 84 Ų | 84 | 78.4 Ų | 78.4 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.9 | -40.9 | 176.2 | -73.3 | 172 | -7.6 | 0 | 0 | 111.7 | L66 E104 E105 M111 W112 | L66-Q108 HydrophobicContact CD1-CG 3.92Å; L66-Q108 HydrophobicContact CD2-CG 4.06Å; E104-Q108 VanDerWaalsContact O-CG 3.31Å; E104-Q108 WeakPolarHBondContact O-CG 3.4Å; E104-Q108 PolarHBondContact O-N 3.06Å; E105-Q108 PolarHBondContact O-N 3.43Å; Q108-M111 PolarHBondContact O-N 3.26Å; Q108-W112 PolarHBondContact O-N 3.06Å |
| 109 | T | 91.9 | Very high | 84.8 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 44% | 0.436 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | E105 G106 I107 R113 | E105-T109 WeakPolarHBondContact O-CB 3.43Å; E105-T109 PolarHBondContact O-N 3.26Å; E105-T109 PolarHBondContact O-OG1 3.47Å; G106-T109 PolarHBondContact O-N 3.27Å; I107-T109 VanDerWaalsContact C-N 3.27Å; I107-T109 PolarHBondContact O-N 3Å; T109-R113 WeakPolarHBondContact O-CG 3.39Å; T109-R113 PolarHBondContact O-N 3.39Å |
| 110 | L | 91.8 | Very high | 83.1 | Confident | 79 Ų | 79 | 84.6 Ų | 84.6 | 41% | 0.414 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176 | -73.6 | 172.4 | 0 | 0 | 0 | 111.9 | L62 G106 I107 R113 L114 | L62-L110 HydrophobicContact CD1-CB 3.92Å; L62-L110 HydrophobicContact CD2-CD1 4.48Å; G106-L110 WeakPolarHBondContact O-CG 3.09Å; G106-L110 PolarHBondContact O-N 3.27Å; I107-L110 WeakPolarHBondContact O-CB 3.4Å; I107-L110 PolarHBondContact O-N 3.18Å; I107-L110 VanDerWaalsContact O-N 3.14Å; L110-R113 PolarHBondContact O-N 3.39Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 2.91Å |
| 111 | M | 91.3 | Very high | 80.8 | Confident | 25 Ų | 25 | 91 Ų | 91 | 12% | 0.123 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.3 | -50.3 | 176 | -70.4 | 178.1 | 67.1 | 0 | 0 | 110.7 | L62 R63 L66 I107 Q108 R113 L114 E115 | L62-M111 HydrophobicContact CB-CG 3.54Å; L62-M111 HydrophobicContact CB-SD 4.1Å; L62-M111 HydrophobicContact CD1-CG 3.77Å; L62-M111 HydrophobicContact CG-CG 4.31Å; R63-M111 HydrophobicContact CB-CE 4.19Å; L66-M111 HydrophobicContact CD2-SD 4.15Å; I107-M111 HydrophobicContact CG2-CG 4.42Å; I107-M111 HydrophobicContact CG2-SD 4.2Å; I107-M111 WeakPolarHBondContact O-CG 3.35Å; I107-M111 PolarHBondContact O-N 3.33Å; Q108-M111 PolarHBondContact O-N 3.26Å; M111-R113 VanDerWaalsContact C-N 3.32Å; M111-R113 PolarHBondContact O-N 3.33Å; M111-L114 PolarHBondContact O-N 3.1Å; M111-E115 WeakPolarHBondContact O-CB 3.44Å; M111-E115 WeakPolarHBondContact O-CG 3.44Å; M111-E115 PolarHBondContact O-N 3.24Å |
| 112 | W | 87.6 | Confident | 78.3 | Confident | 176 Ų | 176 | 90.5 Ų | 90.5 | 67% | 0.667 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -55 | -45.8 | 176.7 | 174.8 | -99.6 | 0 | 0 | 0 | 112.7 | Q108 L114 E115 D116 | Q108-W112 PolarHBondContact O-N 3.06Å; W112-L114 PolarHBondContact O-N 3.34Å; W112-E115 PolarHBondContact O-N 3.25Å; W112-D116 PolarHBondContact O-N 3.09Å |
| 113 | R | 87.7 | Confident | 75.8 | Confident | 186 Ų | 186 | 94 Ų | 94 | 70% | 0.702 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.7 | -32.6 | -179.7 | -74.7 | -175.7 | -179.7 | -170 | 1.9 | 113.6 | T109 L110 M111 | T109-R113 WeakPolarHBondContact O-CG 3.39Å; T109-R113 PolarHBondContact O-N 3.39Å; L110-R113 PolarHBondContact O-N 3.39Å; M111-R113 VanDerWaalsContact C-N 3.32Å; M111-R113 PolarHBondContact O-N 3.33Å |
| 114 | L | 84.1 | Confident | 73.2 | Confident | 44 Ų | 44 | 96.7 Ų | 96.7 | 23% | 0.23 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -81.6 | -26.4 | 178.1 | -69.3 | 173.9 | 0 | 0 | 0 | 112.1 | L59 L62 L110 M111 W112 V166 | L59-L114 HydrophobicContact CD2-CB 3.77Å; L62-L114 HydrophobicContact CD1-CD1 3.7Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 2.91Å; M111-L114 PolarHBondContact O-N 3.1Å; W112-L114 PolarHBondContact O-N 3.34Å; L114-V166 HydrophobicContact CD1-CG1 4.01Å |
| 115 | E | 81.4 | Confident | 70.5 | Confident | 91 Ų | 91 | 101 Ų | 101 | 43% | 0.425 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.4 | -32 | 175 | -77.4 | 177.7 | 176.8 | 0 | 0 | 113.3 | L59 M111 W112 G117 S118 | L59-E115 HydrophobicContact CD1-CG 3.81Å; L59-E115 HydrophobicContact CD2-CG 3.87Å; M111-E115 WeakPolarHBondContact O-CB 3.44Å; M111-E115 WeakPolarHBondContact O-CG 3.44Å; M111-E115 PolarHBondContact O-N 3.24Å; W112-E115 PolarHBondContact O-N 3.25Å; E115-G117 PolarHBondContact O-N 3.39Å; E115-S118 PolarHBondContact O-N 3.43Å; E115-S118 VanDerWaalsContact O-N 3.08Å |
| 116 | D | 68 | Low | 67.8 | Low | 138 Ų | 138 | 102.7 Ų | 102.7 | 74% | 0.738 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -0.3 | -177.9 | -156.4 | 25.6 | 0 | 0 | 0 | 114.2 | W112 | W112-D116 PolarHBondContact O-N 3.09Š|
| 117 | G | 59.4 | Low | 65.5 | Low | 75 Ų | 75 | 106.5 Ų | 106.5 | 77% | 0.773 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -9.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | E115 | E115-G117 PolarHBondContact O-N 3.39Š|
| 118 | S | 47.2 | Very low | 63 | Low | 67 Ų | 67 | 111.8 Ų | 111.8 | 47% | 0.469 | 59% | 0.592 | S | S | . | * | trans | -162.9 | 119.8 | 178.7 | -174 | 0 | 0 | 0 | 0 | 112.7 | E115 R120 | E115-S118 PolarHBondContact O-N 3.43Å; E115-S118 VanDerWaalsContact O-N 3.08Å; S118-R120 PolarHBondContact O-N 3.37Å | ||
| 119 | P | 53.5 | Low | 60.8 | Low | 128 Ų | 128 | 112.9 Ų | 112.9 | 83% | 0.831 | 59% | 0.593 | S | S | * | * | trans | -91.4 | 88.6 | 179.9 | 33.8 | -29.3 | 0 | 0 | 0 | 110.4 | ||||
| 120 | R | 53.4 | Low | 58.8 | Low | 226 Ų | 226 | 113.6 Ų | 113.6 | 85% | 0.853 | 60% | 0.601 | S | S | * | * | trans | -144.6 | 110.6 | 158.8 | -72.4 | -158.8 | 174.6 | -167.9 | -1.4 | 113.5 | S118 G122 | S118-R120 PolarHBondContact O-N 3.37Å; R120-G122 PolarHBondContact O-N 3.01Å | ||
| 121 | T | 44 | Very low | 56.9 | Low | 140 Ų | 140 | 117.6 Ų | 117.6 | 86% | 0.859 | 62% | 0.615 | S | S | * | * | trans | 20.9 | 82 | 141.1 | -45.8 | 0 | 0 | 0 | 0 | 114.9 | Q123 | T121-Q123 PolarHBondContact O-N 3.17Å; T121-Q123 VanDerWaalsContact O-N 3.16Å | ||
| 122 | G | 40.7 | Very low | 55.1 | Low | 54 Ų | 54 | 123.5 Ų | 123.5 | 56% | 0.557 | 64% | 0.64 | S | S | * | * | trans | -54.4 | 121.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | R120 I124 | R120-G122 PolarHBondContact O-N 3.01Å; G122-I124 PolarHBondContact O-N 2.86Å | ||
| 123 | Q | 41.3 | Very low | 53 | Low | 162 Ų | 162 | 121.6 Ų | 121.6 | 76% | 0.757 | 64% | 0.643 | S | S | * | * | trans | -56.6 | 114.1 | 155.4 | -81.1 | -174.9 | -20.2 | 0 | 0 | 105.4 | T121 F125 | T121-Q123 PolarHBondContact O-N 3.17Å; T121-Q123 VanDerWaalsContact O-N 3.16Å; Q123-F125 PolarHBondContact O-N 3.3Å | ||
| 124 | I | 41.5 | Very low | 51.3 | Low | 116 Ų | 116 | 116.9 Ų | 116.9 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | trans | -60.1 | 93.7 | 169.5 | -62.9 | 171.6 | 0 | 0 | 0 | 104.5 | G122 N126 | G122-I124 PolarHBondContact O-N 2.86Å; I124-N126 HydrophobicContact CG2-CB 4.26Å; I124-N126 PolarHBondContact O-N 3.09Å | ||
| 125 | F | 37.8 | Very low | 49.8 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 48% | 0.482 | 67% | 0.667 | S | S | . | * | trans | -65.2 | 95.7 | 166.3 | -143.7 | -95.5 | 0 | 0 | 0 | 104.3 | Q123 Q127 | Q123-F125 PolarHBondContact O-N 3.3Å; F125-Q127 HydrophobicContact CD1-CB 4.24Å; F125-Q127 HydrophobicContact CD1-CG 3.86Å; F125-Q127 HydrophobicContact CE1-CG 3.96Å; F125-Q127 PolarHBondContact O-N 3.28Å | ||
| 126 | N | 39.1 | Very low | 48.3 | Very low | 151 Ų | 151 | 123.3 Ų | 123.3 | 81% | 0.807 | 67% | 0.667 | S | S | * | * | trans | -79.9 | 62 | -174.3 | -138.7 | 8.8 | 0 | 0 | 0 | 107 | I124 S128 | I124-N126 HydrophobicContact CG2-CB 4.26Å; I124-N126 PolarHBondContact O-N 3.09Å; N126-S128 PolarHBondContact O-N 3.08Å | ||
| 127 | Q | 45.8 | Very low | 47.8 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 52% | 0.523 | 67% | 0.674 | S | S | . | * | trans | -85.9 | 90.8 | 169.9 | -103.9 | 178.4 | -9.2 | 0 | 0 | 107.6 | F125 Y129 | F125-Q127 HydrophobicContact CD1-CB 4.24Å; F125-Q127 HydrophobicContact CD1-CG 3.86Å; F125-Q127 HydrophobicContact CE1-CG 3.96Å; F125-Q127 PolarHBondContact O-N 3.28Å; Q127-Y129 VanDerWaalsContact C-N 3.32Å; Q127-Y129 PolarHBondContact O-N 3.21Å | ||
| 128 | S | 42.7 | Very low | 47.9 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 68% | 0.675 | S | S | * | * | trans | -65.7 | 98.1 | 160.6 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | N126 S130 | N126-S128 PolarHBondContact O-N 3.08Å; S128-S130 PolarHBondContact O-N 2.9Å; S128-S130 VanDerWaalsContact O-N 3.09Å | ||
| 129 | Y | 47.7 | Very low | 48.3 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 42% | 0.42 | 68% | 0.681 | S | S | . | * | trans | -60.5 | 113.6 | 170.3 | -161.5 | -99.6 | 0 | 0 | 0 | 106.9 | L68 S71 Q127 K131 D155 | L68-Y129 HydrophobicContact CD2-CE2 4.11Å; S71-Y129 VanDerWaalsContact CB-CD1 3.45Å; Q127-Y129 VanDerWaalsContact C-N 3.32Å; Q127-Y129 PolarHBondContact O-N 3.21Å; Y129-K131 PolarHBondContact O-N 3.43Å; Y129-D155 PolarHBondContact OH-OD2 2.95Å | ||
| 130 | S | 49.1 | Very low | 48.9 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 60% | 0.601 | 67% | 0.668 | S | S | * | * | trans | -61.7 | 116.9 | -171.9 | 62.2 | 0 | 0 | 0 | 0 | 109.8 | S128 F132 | S128-S130 PolarHBondContact O-N 2.9Å; S128-S130 VanDerWaalsContact O-N 3.09Å; S130-F132 PolarHBondContact O-N 2.83Å | ||
| 131 | K | 51.2 | Low | 49.6 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 70% | 0.704 | 65% | 0.653 | S | S | * | * | trans | -53.4 | 126.3 | 172.3 | -172.6 | 173.6 | -178.9 | 172.7 | 0 | 109.4 | Y129 D133 | Y129-K131 PolarHBondContact O-N 3.43Å; K131-D133 PolarHBondContact O-N 3.21Å | ||
| 132 | F | 54.5 | Low | 50.7 | Low | 150 Ų | 150 | 121.9 Ų | 121.9 | 66% | 0.658 | 64% | 0.643 | S | S | * | * | trans | -72.4 | 94 | 173.4 | -86.3 | -86.5 | 0 | 0 | 0 | 109.5 | S130 T134 | S130-F132 PolarHBondContact O-N 2.83Å; F132-T134 PolarHBondContact O-N 3.43Å; F132-T134 VanDerWaalsContact O-N 3.07Å; F132-T134 PolarHBondContact O-OG1 2.91Å | ||
| 133 | D | 43.1 | Very low | 52.1 | Low | 136 Ų | 136 | 125 Ų | 125 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -74.4 | 96.1 | 170.7 | -79.3 | -27.1 | 0 | 0 | 0 | 109.7 | K131 K135 | K131-D133 PolarHBondContact O-N 3.21Å; D133-K135 PolarHBondContact O-N 2.83Å; D133-K135 VanDerWaalsContact O-N 3.13Å | ||
| 134 | T | 52.2 | Low | 53.5 | Low | 86 Ų | 86 | 120.2 Ų | 120.2 | 53% | 0.528 | 62% | 0.623 | S | S | . | * | trans | -88.2 | 77.7 | -179.3 | -44.7 | 0 | 0 | 0 | 0 | 109.7 | F132 | F132-T134 PolarHBondContact O-N 3.43Å; F132-T134 VanDerWaalsContact O-N 3.07Å; F132-T134 PolarHBondContact O-OG1 2.91Å | ||
| 135 | K | 51.7 | Low | 55.1 | Low | 209 Ų | 209 | 117 Ų | 117 | 91% | 0.909 | 61% | 0.607 | S | S | * | * | trans | -118.8 | 75.3 | 161.6 | -74.5 | -174 | -178.6 | 176 | 0 | 109.5 | D133 | D133-K135 PolarHBondContact O-N 2.83Å; D133-K135 VanDerWaalsContact O-N 3.13Å | ||
| 136 | S | 49.9 | Very low | 57.1 | Low | 61 Ų | 61 | 119 Ų | 119 | 43% | 0.427 | 61% | 0.613 | S | S | . | * | trans | -120.2 | 114.8 | 160.5 | 80.8 | 0 | 0 | 0 | 0 | 109.7 | N138 K144 | S136-N138 PolarHBondContact O-N 3.47Å; S136-K144 PolarHBondContact O-NZ 3Å; S136-K144 WeakPolarHBondContact OG-CE 3.44Å; S136-K144 PolarHBondContact OG-NZ 3Å | ||
| 137 | H | 58.6 | Low | 59.2 | Low | 189 Ų | 189 | 113.2 Ų | 113.2 | 88% | 0.875 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -67.2 | 126.9 | 170.7 | -137.7 | -81.6 | 0 | 0 | 0 | 107.3 | ||
| 138 | N | 60.3 | Low | 60.9 | Low | 150 Ų | 150 | 109.7 Ų | 109.7 | 80% | 0.802 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 93.7 | 14.9 | 156.5 | -129.9 | 36.8 | 0 | 0 | 0 | 123 | S136 | S136-N138 PolarHBondContact O-N 3.47Š|
| 139 | D | 56.3 | Low | 62.9 | Low | 112 Ų | 112 | 106.8 Ų | 106.8 | 60% | 0.599 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -100.1 | 135.3 | 161.4 | -69.4 | -38.4 | 0 | 0 | 0 | 111.3 | A141 K144 | D139-A141 PolarHBondContact O-N 3.33Å; D139-K144 PolarHBondContact O-NZ 3Å |
| 140 | D | 66.4 | Low | 64.8 | Low | 103 Ų | 103 | 106.5 Ų | 106.5 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | trans | -41.7 | 120.8 | -170 | -170 | 10.8 | 0 | 0 | 0 | 113 | L142 L143 K144 | D140-L142 PolarHBondContact O-N 3.46Å; D140-L142 VanDerWaalsContact O-N 3.08Å; D140-L143 HydrophobicContact CB-CB 4.46Å; D140-L143 PolarHBondContact O-N 2.93Å; D140-K144 PolarHBondContact O-N 3.03Å | ||
| 141 | A | 67.5 | Low | 66.7 | Low | 65 Ų | 65 | 105 Ų | 105 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.9 | -29.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.1 | D139 N145 | D139-A141 PolarHBondContact O-N 3.33Å; A141-N145 WeakPolarHBondContact O-CB 3.42Å; A141-N145 PolarHBondContact O-N 2.92Å; A141-N145 PolarHBondContact O-ND2 2.79Å; A141-N145 VanDerWaalsContact O-ND2 3.14Å |
| 142 | L | 68 | Low | 68.6 | Low | 126 Ų | 126 | 98.6 Ų | 98.6 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 174.5 | -71 | 170.9 | 0 | 0 | 0 | 112.6 | D140 N145 Y146 | D140-L142 PolarHBondContact O-N 3.46Å; D140-L142 VanDerWaalsContact O-N 3.08Å; L142-N145 PolarHBondContact O-N 3.34Å; L142-Y146 WeakPolarHBondContact O-CB 3.32Å; L142-Y146 PolarHBondContact O-N 3.4Å |
| 143 | L | 69.7 | Low | 70.3 | Confident | 120 Ų | 120 | 99.3 Ų | 99.3 | 63% | 0.628 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.2 | -38.3 | -179.4 | -168.7 | 68.6 | 0 | 0 | 0 | 111.2 | D140 Y146 G147 | D140-L143 HydrophobicContact CB-CB 4.46Å; D140-L143 PolarHBondContact O-N 2.93Å; L143-Y146 PolarHBondContact O-N 3.48Å; L143-G147 PolarHBondContact O-N 2.87Å |
| 144 | K | 70.8 | Confident | 72.8 | Confident | 61 Ų | 61 | 97.7 Ų | 97.7 | 27% | 0.265 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 173.2 | -72.1 | 176.6 | 174.2 | 165.1 | 0 | 112 | S136 D139 D140 G147 L148 | S136-K144 PolarHBondContact O-NZ 3Å; S136-K144 WeakPolarHBondContact OG-CE 3.44Å; S136-K144 PolarHBondContact OG-NZ 3Å; D139-K144 PolarHBondContact O-NZ 3Å; D140-K144 PolarHBondContact O-N 3.03Å; K144-G147 PolarHBondContact O-N 2.99Å; K144-L148 WeakPolarHBondContact O-CG 3.42Å; K144-L148 PolarHBondContact O-N 3.34Å |
| 145 | N | 75 | Confident | 74.8 | Confident | 48 Ų | 48 | 94 Ų | 94 | 26% | 0.257 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 176.2 | -71.9 | -21.5 | 0 | 0 | 0 | 111.8 | V82 A141 L142 L148 L149 | V82-N145 HydrophobicContact CG2-CB 4.32Å; A141-N145 WeakPolarHBondContact O-CB 3.42Å; A141-N145 PolarHBondContact O-N 2.92Å; A141-N145 PolarHBondContact O-ND2 2.79Å; A141-N145 VanDerWaalsContact O-ND2 3.14Å; L142-N145 PolarHBondContact O-N 3.34Å; N145-L148 PolarHBondContact O-N 2.75Å; N145-L149 WeakPolarHBondContact O-CB 3.34Å; N145-L149 WeakPolarHBondContact O-CG 3.4Å; N145-L149 PolarHBondContact O-N 3.39Å |
| 146 | Y | 79.1 | Confident | 76.9 | Confident | 152 Ų | 152 | 85.8 Ų | 85.8 | 60% | 0.596 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.3 | -45.6 | 174.9 | 177.1 | -97.2 | 0 | 0 | 0 | 112 | L142 L143 L148 L149 Y150 | L142-Y146 WeakPolarHBondContact O-CB 3.32Å; L142-Y146 PolarHBondContact O-N 3.4Å; L143-Y146 PolarHBondContact O-N 3.48Å; Y146-L148 PolarHBondContact O-N 2.85Å; Y146-L149 PolarHBondContact O-N 3.17Å; Y146-Y150 WeakPolarHBondContact O-CB 3.32Å; Y146-Y150 PolarHBondContact O-N 2.86Å |
| 147 | G | 82.7 | Confident | 79.1 | Confident | 29 Ų | 29 | 87.5 Ų | 87.5 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L143 K144 Y150 C151 | L143-G147 PolarHBondContact O-N 2.87Å; K144-G147 PolarHBondContact O-N 2.99Å; G147-Y150 PolarHBondContact O-N 3.26Å; G147-C151 PolarHBondContact O-N 2.88Å; G147-C151 PolarHBondContact O-SG 3.25Å |
| 148 | L | 82.8 | Confident | 80.9 | Confident | 39 Ų | 39 | 82 Ų | 82 | 20% | 0.204 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.2 | -75.5 | 172.1 | 0 | 0 | 0 | 112.3 | W72 L79 K144 N145 Y146 Y150 C151 F152 | W72-L148 HydrophobicContact CH2-CD2 4.24Å; W72-L148 VanDerWaalsContact CH2-O 3.25Å; W72-L148 WeakPolarHBondContact CH2-O 3.43Å; W72-L148 HydrophobicContact CZ3-CD2 4.29Å; L79-L148 HydrophobicContact CD1-CB 4.15Å; L79-L148 HydrophobicContact CD2-CB 3.98Å; L79-L148 HydrophobicContact CD2-CD1 4.32Å; L79-L148 HydrophobicContact CG-CB 4.43Å; K144-L148 WeakPolarHBondContact O-CG 3.42Å; K144-L148 PolarHBondContact O-N 3.34Å; N145-L148 PolarHBondContact O-N 2.75Å; Y146-L148 PolarHBondContact O-N 2.85Å; L148-Y150 VanDerWaalsContact C-N 3.35Å; L148-Y150 PolarHBondContact O-N 3.49Å; L148-C151 PolarHBondContact O-N 3.43Å; L148-F152 WeakPolarHBondContact O-CB 3.42Å; L148-F152 PolarHBondContact O-N 3.34Å |
| 149 | L | 84.2 | Confident | 82.7 | Confident | 52 Ų | 52 | 75 Ų | 75 | 27% | 0.272 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 175.6 | -76.5 | 171.6 | 0 | 0 | 0 | 112.4 | L79 V82 F83 N145 Y146 F152 R153 | L79-L149 HydrophobicContact CD1-CD2 4.07Å; L79-L149 HydrophobicContact CD1-CG 4.43Å; L79-L149 HydrophobicContact CD2-CG 4.29Å; V82-L149 HydrophobicContact CG1-CD1 3.86Å; F83-L149 HydrophobicContact CD1-CD2 4.46Å; F83-L149 HydrophobicContact CE1-CD2 3.53Å; F83-L149 HydrophobicContact CE2-CD2 4.24Å; F83-L149 HydrophobicContact CZ-CD2 3.4Å; N145-L149 WeakPolarHBondContact O-CB 3.34Å; N145-L149 WeakPolarHBondContact O-CG 3.4Å; N145-L149 PolarHBondContact O-N 3.39Å; Y146-L149 PolarHBondContact O-N 3.17Å; L149-F152 PolarHBondContact O-N 2.94Å; L149-R153 WeakPolarHBondContact O-CB 3.37Å; L149-R153 PolarHBondContact O-N 2.9Å |
| 150 | Y | 86.8 | Confident | 84.6 | Confident | 101 Ų | 101 | 74.5 Ų | 74.5 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 177 | 174 | -96.1 | 0 | 0 | 0 | 111.5 | Y146 G147 L148 R153 K154 | Y146-Y150 WeakPolarHBondContact O-CB 3.32Å; Y146-Y150 PolarHBondContact O-N 2.86Å; G147-Y150 PolarHBondContact O-N 3.26Å; L148-Y150 VanDerWaalsContact C-N 3.35Å; L148-Y150 PolarHBondContact O-N 3.49Å; Y150-R153 PolarHBondContact O-N 3.16Å; Y150-K154 HydrophobicContact CE1-CD 4.42Å; Y150-K154 WeakPolarHBondContact O-CB 3.44Å; Y150-K154 PolarHBondContact O-N 2.85Å |
| 151 | C | 90.1 | Very high | 86.1 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 37% | 0.365 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.5 | -68.6 | 0 | 0 | 0 | 0 | 111.3 | W72 G147 L148 R153 K154 D155 | W72-C151 HydrophobicContact CH2-CB 3.77Å; W72-C151 VanDerWaalsContact CZ2-C 3.47Å; W72-C151 HydrophobicContact CZ2-CB 3.65Å; G147-C151 PolarHBondContact O-N 2.88Å; G147-C151 PolarHBondContact O-SG 3.25Å; L148-C151 PolarHBondContact O-N 3.43Å; C151-R153 PolarHBondContact O-N 3.48Å; C151-K154 PolarHBondContact O-N 3.17Å; C151-D155 WeakPolarHBondContact O-CB 3.38Å; C151-D155 PolarHBondContact O-N 3.38Å |
| 152 | F | 90 | Very high | 87.5 | Confident | 27 Ų | 27 | 71.7 Ų | 71.7 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.5 | -51.9 | 176.5 | 179.5 | -106.2 | 0 | 0 | 0 | 110.8 | W72 F83 V96 L100 L148 L149 K154 D155 M156 | W72-F152 HydrophobicContact CB-CD2 4.29Å; W72-F152 HydrophobicContact CB-CE2 4.32Å; W72-F152 HydrophobicContact CD2-CB 4.35Å; W72-F152 AromaticContact CD2-CD2 3.63Å; W72-F152 HydrophobicContact CD2-CD2 3.63Å; W72-F152 HydrophobicContact CD2-CE2 4.5Å; W72-F152 HydrophobicContact CD2-CG 4.5Å; W72-F152 HydrophobicContact CE3-CB 4.08Å; W72-F152 AromaticContact CE3-CD2 3.65Å; W72-F152 HydrophobicContact CE3-CD2 3.65Å; W72-F152 HydrophobicContact CE3-CG 4.32Å; W72-F152 AromaticContact CG-CD2 3.89Å; W72-F152 HydrophobicContact CG-CD2 3.89Å; W72-F152 HydrophobicContact CG-CE2 4.35Å; W72-F152 HydrophobicContact CH2-CB 3.83Å; W72-F152 VanDerWaalsContact CZ2-CA 3.49Å; W72-F152 HydrophobicContact CZ2-CB 4.09Å; W72-F152 VanDerWaalsContact CZ2-N 3.25Å; W72-F152 HydrophobicContact CZ3-CB 3.82Å; W72-F152 HydrophobicContact CZ3-CD2 4.26Å; F83-F152 HydrophobicContact CZ-CD1 4.33Å; F83-F152 HydrophobicContact CZ-CE1 4.44Å; V96-F152 HydrophobicContact CG1-CE1 4.08Å; V96-F152 HydrophobicContact CG1-CE2 4.4Å; V96-F152 HydrophobicContact CG1-CZ 3.57Å; L100-F152 HydrophobicContact CD1-CE2 4.01Å; L100-F152 HydrophobicContact CD2-CE2 4.09Å; L100-F152 HydrophobicContact CD2-CZ 4.34Å; L148-F152 WeakPolarHBondContact O-CB 3.42Å; L148-F152 PolarHBondContact O-N 3.34Å; L149-F152 PolarHBondContact O-N 2.94Å; F152-K154 VanDerWaalsContact C-N 3.32Å; F152-K154 PolarHBondContact O-N 2.82Å; F152-D155 PolarHBondContact O-N 2.88Å; F152-M156 HydrophobicContact CD1-CG 4.29Å; F152-M156 HydrophobicContact CD2-CE 4.31Å; F152-M156 HydrophobicContact CD2-CG 4.14Å; F152-M156 HydrophobicContact CE1-CG 3.91Å; F152-M156 HydrophobicContact CE2-CE 4.06Å; F152-M156 HydrophobicContact CE2-CG 3.75Å; F152-M156 HydrophobicContact CE2-SD 3.88Å; F152-M156 HydrophobicContact CG-CG 4.4Å; F152-M156 HydrophobicContact CZ-CG 3.62Å; F152-M156 HydrophobicContact CZ-SD 4.05Å; F152-M156 VanDerWaalsContact O-CG 3.28Å; F152-M156 WeakPolarHBondContact O-CG 3.45Å; F152-M156 PolarHBondContact O-N 3.05Å |
| 153 | R | 91.9 | Very high | 88.8 | Confident | 166 Ų | 166 | 67.5 Ų | 67.5 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.1 | -46.5 | 177 | -176.2 | -175.6 | 68.1 | 166.4 | 1.8 | 111.9 | L149 Y150 C151 M156 D157 | L149-R153 WeakPolarHBondContact O-CB 3.37Å; L149-R153 PolarHBondContact O-N 2.9Å; Y150-R153 PolarHBondContact O-N 3.16Å; C151-R153 PolarHBondContact O-N 3.48Å; R153-M156 PolarHBondContact O-N 3.16Å; R153-D157 WeakPolarHBondContact O-CB 3.21Å; R153-D157 PolarHBondContact O-N 2.96Å |
| 154 | K | 94.8 | Very high | 90 | Very high | 102 Ų | 102 | 68.5 Ų | 68.5 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | -178.3 | -176.2 | 177 | 179.7 | 177.7 | 0 | 112.2 | Y150 C151 F152 K158 | Y150-K154 HydrophobicContact CE1-CD 4.42Å; Y150-K154 WeakPolarHBondContact O-CB 3.44Å; Y150-K154 PolarHBondContact O-N 2.85Å; C151-K154 PolarHBondContact O-N 3.17Å; F152-K154 VanDerWaalsContact C-N 3.32Å; F152-K154 PolarHBondContact O-N 2.82Å; K154-K158 WeakPolarHBondContact O-CG 3.36Å; K154-K158 PolarHBondContact O-N 2.92Å |
| 155 | D | 94.9 | Very high | 91 | Very high | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -75.2 | -35.6 | 179.4 | -71.6 | -20.1 | 0 | 0 | 0 | 111.4 | L68 W72 Y129 C151 F152 K158 V159 | L68-D155 HydrophobicContact CD2-CB 4.22Å; W72-D155 PolarHBondContact NE1-OD2 3.43Å; Y129-D155 PolarHBondContact OH-OD2 2.95Å; C151-D155 WeakPolarHBondContact O-CB 3.38Å; C151-D155 PolarHBondContact O-N 3.38Å; F152-D155 PolarHBondContact O-N 2.88Å; D155-K158 WeakPolarHBondContact O-CB 3.35Å; D155-K158 PolarHBondContact O-N 3.36Å; D155-K158 IonicContact OD1-NZ 2.71Å; D155-K158 PolarHBondContact OD1-NZ 3.13Å; D155-V159 WeakPolarHBondContact O-CG2 3.43Å; D155-V159 PolarHBondContact O-N 3.2Å |
| 156 | M | 95.7 | Very high | 91.8 | Very high | 37 Ų | 37 | 66 Ų | 66 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 173.2 | -65.1 | -50.5 | 98 | 0 | 0 | 112.3 | I69 W72 L100 F152 R153 K158 V159 E160 | I69-M156 HydrophobicContact CD1-CE 3.93Å; I69-M156 HydrophobicContact CD1-SD 3.75Å; W72-M156 HydrophobicContact CG-CE 4.26Å; L100-M156 HydrophobicContact CD2-CE 4.33Å; L100-M156 HydrophobicContact CD2-SD 3.66Å; F152-M156 HydrophobicContact CD1-CG 4.29Å; F152-M156 HydrophobicContact CD2-CE 4.31Å; F152-M156 HydrophobicContact CD2-CG 4.14Å; F152-M156 HydrophobicContact CE1-CG 3.91Å; F152-M156 HydrophobicContact CE2-CE 4.06Å; F152-M156 HydrophobicContact CE2-CG 3.75Å; F152-M156 HydrophobicContact CE2-SD 3.88Å; F152-M156 HydrophobicContact CG-CG 4.4Å; F152-M156 HydrophobicContact CZ-CG 3.62Å; F152-M156 HydrophobicContact CZ-SD 4.05Å; F152-M156 VanDerWaalsContact O-CG 3.28Å; F152-M156 WeakPolarHBondContact O-CG 3.45Å; F152-M156 PolarHBondContact O-N 3.05Å; R153-M156 PolarHBondContact O-N 3.16Å; M156-K158 VanDerWaalsContact C-N 3.32Å; M156-K158 PolarHBondContact O-N 3.1Å; M156-V159 HydrophobicContact CE-CG2 4.46Å; M156-V159 PolarHBondContact O-N 3.26Å; M156-E160 PolarHBondContact O-N 2.8Å |
| 157 | D | 96.5 | Very high | 92.3 | Very high | 97 Ų | 97 | 64 Ų | 64 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 172.8 | 177.8 | 76.4 | 0 | 0 | 0 | 112.2 | R153 T161 | R153-D157 WeakPolarHBondContact O-CB 3.21Å; R153-D157 PolarHBondContact O-N 2.96Å; D157-T161 WeakPolarHBondContact O-CB 3.27Å; D157-T161 PolarHBondContact O-N 3.49Å; D157-T161 PolarHBondContact O-OG1 3.18Å |
| 158 | K | 96.5 | Very high | 92.5 | Very high | 72 Ų | 72 | 64.6 Ų | 64.6 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 172.1 | -69.3 | 172.9 | -168.8 | 156.3 | 0 | 112.2 | L68 K154 D155 M156 E160 T161 F162 | L68-K158 HydrophobicContact CD1-CB 4.34Å; L68-K158 HydrophobicContact CD1-CD 4.46Å; K154-K158 WeakPolarHBondContact O-CG 3.36Å; K154-K158 PolarHBondContact O-N 2.92Å; D155-K158 WeakPolarHBondContact O-CB 3.35Å; D155-K158 PolarHBondContact O-N 3.36Å; D155-K158 IonicContact OD1-NZ 2.71Å; D155-K158 PolarHBondContact OD1-NZ 3.13Å; M156-K158 VanDerWaalsContact C-N 3.32Å; M156-K158 PolarHBondContact O-N 3.1Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-E160 PolarHBondContact O-N 3.02Å; K158-T161 WeakPolarHBondContact O-CB 3.49Å; K158-T161 PolarHBondContact O-N 3.33Å; K158-F162 HydrophobicContact CB-CE2 4.33Å; K158-F162 VanDerWaalsContact O-CG 3.28Å; K158-F162 WeakPolarHBondContact O-CG 3.36Å; K158-F162 PolarHBondContact O-N 2.97Å |
| 159 | V | 97.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -47 | 179 | 171.6 | 0 | 0 | 0 | 0 | 110 | L68 I69 L103 D155 M156 T161 F162 L163 | L68-V159 HydrophobicContact CB-CG2 3.87Å; L68-V159 HydrophobicContact CD1-CG2 3.88Å; I69-V159 HydrophobicContact CD1-CG1 4.23Å; I69-V159 HydrophobicContact CD1-CG2 4.24Å; I69-V159 HydrophobicContact CG1-CG1 4.37Å; I69-V159 HydrophobicContact CG1-CG2 4.34Å; L103-V159 HydrophobicContact CD2-CG1 4.12Å; D155-V159 WeakPolarHBondContact O-CG2 3.43Å; D155-V159 PolarHBondContact O-N 3.2Å; M156-V159 HydrophobicContact CE-CG2 4.46Å; M156-V159 PolarHBondContact O-N 3.26Å; V159-T161 VanDerWaalsContact C-N 3.33Å; V159-T161 PolarHBondContact O-N 3.47Å; V159-F162 PolarHBondContact O-N 3.38Å; V159-L163 HydrophobicContact CG1-CD1 3.77Å; V159-L163 HydrophobicContact CG1-CG 4.29Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.27Å; V159-L163 PolarHBondContact O-N 3.45Å |
| 160 | E | 96.4 | Very high | 92.5 | Very high | 103 Ų | 103 | 67 Ų | 67 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 175.3 | -171 | -167 | 155.5 | 0 | 0 | 111.2 | M156 K158 F162 L163 R164 | M156-E160 PolarHBondContact O-N 2.8Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-E160 PolarHBondContact O-N 3.02Å; E160-F162 PolarHBondContact O-N 2.86Å; E160-L163 PolarHBondContact O-N 2.99Å; E160-R164 WeakPolarHBondContact O-CB 3.39Å; E160-R164 PolarHBondContact O-N 3.36Å; E160-R164 IonicContact OE1-CZ 3.81Å; E160-R164 IonicContact OE1-NE 2.93Å; E160-R164 IonicContact OE1-NH2 2.81Å; E160-R164 PolarHBondContact OE1-NH2 3.03Å |
| 161 | T | 96.6 | Very high | 92.2 | Very high | 62 Ų | 62 | 65.9 Ų | 65.9 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 179.9 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | D157 K158 V159 R164 I165 | D157-T161 WeakPolarHBondContact O-CB 3.27Å; D157-T161 PolarHBondContact O-N 3.49Å; D157-T161 PolarHBondContact O-OG1 3.18Å; K158-T161 WeakPolarHBondContact O-CB 3.49Å; K158-T161 PolarHBondContact O-N 3.33Å; V159-T161 VanDerWaalsContact C-N 3.33Å; V159-T161 PolarHBondContact O-N 3.47Å; T161-R164 PolarHBondContact O-N 3.09Å; T161-I165 HydrophobicContact CG2-CD1 4.01Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.38Å; T161-I165 PolarHBondContact O-N 2.78Å |
| 162 | F | 96.4 | Very high | 91.4 | Very high | 47 Ų | 47 | 72.9 Ų | 72.9 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 179.1 | -66.5 | -18.3 | 0 | 0 | 0 | 112.1 | L61 I64 S65 K158 V159 E160 R164 I165 V166 | L61-F162 HydrophobicContact CB-CB 4.32Å; L61-F162 HydrophobicContact CD2-CB 4.41Å; L61-F162 HydrophobicContact CD2-CD1 3.74Å; L61-F162 HydrophobicContact CD2-CD2 4.43Å; L61-F162 HydrophobicContact CD2-CE1 4.03Å; L61-F162 HydrophobicContact CD2-CG 3.95Å; I64-F162 HydrophobicContact CB-CE2 4.43Å; I64-F162 HydrophobicContact CG2-CD2 4.25Å; I64-F162 HydrophobicContact CG2-CE2 3.69Å; S65-F162 WeakPolarHBondContact OG-CB 3.47Å; K158-F162 HydrophobicContact CB-CE2 4.33Å; K158-F162 VanDerWaalsContact O-CG 3.28Å; K158-F162 WeakPolarHBondContact O-CG 3.36Å; K158-F162 PolarHBondContact O-N 2.97Å; V159-F162 PolarHBondContact O-N 3.38Å; E160-F162 PolarHBondContact O-N 2.86Å; F162-R164 VanDerWaalsContact C-N 3.34Å; F162-R164 PolarHBondContact O-N 2.95Å; F162-I165 PolarHBondContact O-N 2.98Å; F162-V166 WeakPolarHBondContact O-CG2 3.32Å; F162-V166 PolarHBondContact O-N 3.47Å |
| 163 | L | 95.9 | Very high | 90.4 | Very high | 38 Ų | 38 | 75.4 Ų | 75.4 | 20% | 0.199 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 176 | -67.5 | 173.4 | 0 | 0 | 0 | 111.9 | L62 L103 I107 V159 E160 I165 V166 Q167 | L62-L163 HydrophobicContact CD2-CD2 3.56Å; L103-L163 HydrophobicContact CD1-CD1 3.93Å; I107-L163 HydrophobicContact CD1-CD1 4.44Å; I107-L163 HydrophobicContact CD1-CD2 4.31Å; I107-L163 HydrophobicContact CG1-CD2 3.97Å; V159-L163 HydrophobicContact CG1-CD1 3.77Å; V159-L163 HydrophobicContact CG1-CG 4.29Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.27Å; V159-L163 PolarHBondContact O-N 3.45Å; E160-L163 PolarHBondContact O-N 2.99Å; L163-I165 VanDerWaalsContact C-N 3.35Å; L163-I165 PolarHBondContact O-N 3.39Å; L163-V166 PolarHBondContact O-N 2.85Å; L163-Q167 WeakPolarHBondContact O-CB 3.32Å; L163-Q167 PolarHBondContact O-N 2.94Å |
| 164 | R | 94.2 | Very high | 89.5 | Confident | 140 Ų | 140 | 69.5 Ų | 69.5 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 174.9 | -172.2 | -178 | -65.4 | -99.7 | 2.7 | 111.1 | E160 T161 F162 Q167 C168 | E160-R164 WeakPolarHBondContact O-CB 3.39Å; E160-R164 PolarHBondContact O-N 3.36Å; E160-R164 IonicContact OE1-CZ 3.81Å; E160-R164 IonicContact OE1-NE 2.93Å; E160-R164 IonicContact OE1-NH2 2.81Å; E160-R164 PolarHBondContact OE1-NH2 3.03Å; T161-R164 PolarHBondContact O-N 3.09Å; F162-R164 VanDerWaalsContact C-N 3.34Å; F162-R164 PolarHBondContact O-N 2.95Å; R164-Q167 PolarHBondContact O-N 2.87Å; R164-C168 WeakPolarHBondContact O-CB 3.47Å; R164-C168 PolarHBondContact O-N 3.41Å; R164-C168 PolarHBondContact O-SG 3.4Å |
| 165 | I | 92 | Very high | 88.6 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.8 | -50.3 | 175.2 | -70.3 | 165.6 | 0 | 0 | 0 | 110.2 | L61 T161 F162 L163 Q167 C168 R169 | L61-I165 HydrophobicContact CD1-CB 4.06Å; L61-I165 HydrophobicContact CD1-CG2 3.58Å; T161-I165 HydrophobicContact CG2-CD1 4.01Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.38Å; T161-I165 PolarHBondContact O-N 2.78Å; F162-I165 PolarHBondContact O-N 2.98Å; L163-I165 VanDerWaalsContact C-N 3.35Å; L163-I165 PolarHBondContact O-N 3.39Å; I165-Q167 VanDerWaalsContact C-N 3.33Å; I165-Q167 PolarHBondContact O-N 3.25Å; I165-C168 PolarHBondContact O-N 3.36Å; I165-R169 HydrophobicContact CG2-CG 4.46Å; I165-R169 VanDerWaalsContact O-CB 3.3Å; I165-R169 WeakPolarHBondContact O-CB 3.48Å; I165-R169 WeakPolarHBondContact O-CD 3.4Å; I165-R169 WeakPolarHBondContact O-CG 3.36Å; I165-R169 PolarHBondContact O-N 2.84Å |
| 166 | V | 92 | Very high | 86.7 | Confident | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 179.3 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | N58 L61 L62 L114 F162 L163 R169 S170 | N58-V166 HydrophobicContact CB-CG1 4.41Å; N58-V166 HydrophobicContact CB-CG2 4.28Å; L61-V166 HydrophobicContact CB-CG2 3.83Å; L61-V166 HydrophobicContact CD1-CG2 4Å; L62-V166 HydrophobicContact CD1-CG1 4.27Å; L62-V166 HydrophobicContact CD2-CB 4.33Å; L62-V166 HydrophobicContact CD2-CG1 4.14Å; L62-V166 HydrophobicContact CD2-CG2 4.15Å; L62-V166 HydrophobicContact CG-CG1 4.22Å; L62-V166 HydrophobicContact CG-CG2 4.17Å; L114-V166 HydrophobicContact CD1-CG1 4.01Å; F162-V166 WeakPolarHBondContact O-CG2 3.32Å; F162-V166 PolarHBondContact O-N 3.47Å; L163-V166 PolarHBondContact O-N 2.85Å; V166-R169 PolarHBondContact O-N 3.42Å; V166-S170 WeakPolarHBondContact O-CB 3.32Å; V166-S170 PolarHBondContact O-N 2.85Å; V166-S170 PolarHBondContact O-OG 2.92Å; V166-S170 VanDerWaalsContact O-OG 3.14Å |
| 167 | Q | 89.9 | Confident | 84.6 | Confident | 110 Ų | 110 | 80.5 Ų | 80.5 | 51% | 0.514 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.6 | -53.3 | 176.5 | -177 | -178.1 | 27.4 | 0 | 0 | 111.7 | L163 R164 I165 R169 S170 V171 S174 | L163-Q167 WeakPolarHBondContact O-CB 3.32Å; L163-Q167 PolarHBondContact O-N 2.94Å; R164-Q167 PolarHBondContact O-N 2.87Å; I165-Q167 VanDerWaalsContact C-N 3.33Å; I165-Q167 PolarHBondContact O-N 3.25Å; Q167-R169 PolarHBondContact O-N 2.87Å; Q167-R169 VanDerWaalsContact O-N 3.07Å; Q167-S170 PolarHBondContact O-N 3.28Å; Q167-V171 PolarHBondContact O-N 2.89Å; Q167-S174 PolarHBondContact O-OG 2.88Å |
| 168 | C | 86.8 | Confident | 84 | Confident | 41 Ų | 41 | 79.7 Ų | 79.7 | 28% | 0.277 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -53.8 | -31.3 | 177.9 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | R164 I165 S174 C175 | R164-C168 WeakPolarHBondContact O-CB 3.47Å; R164-C168 PolarHBondContact O-N 3.41Å; R164-C168 PolarHBondContact O-SG 3.4Å; I165-C168 PolarHBondContact O-N 3.36Å; C168-S174 VanDerWaalsContact CA-OG 3.28Å; C168-S174 WeakPolarHBondContact CA-OG 3.31Å; C168-C175 WeakPolarHBondContact CA-SG 3.46Å; C168-C175 HydrophobicContact CB-CB 3.56Å; C168-C175 WeakPolarHBondContact CB-SG 3.48Å; C168-C175 WeakPolarHBondContact SG-CB 3.36Å; C168-C175 CovalentContact SG-SG 2.01Å; C168-C175 PolarHBondContact SG-SG 3.21Å |
| 169 | R | 84.9 | Confident | 83.3 | Confident | 90 Ų | 90 | 80.1 Ų | 80.1 | 34% | 0.34 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -93 | -27 | -171.3 | -73.2 | -174.7 | 178.6 | 177.3 | 3.5 | 113.8 | Y54 N58 I165 V166 Q167 | Y54-R169 HydrophobicContact CE1-CB 4.07Å; Y54-R169 HydrophobicContact CE2-CG 4.22Å; Y54-R169 WeakPolarHBondContact OH-CA 3.35Å; Y54-R169 WeakPolarHBondContact OH-CB 3.27Å; Y54-R169 WeakPolarHBondContact OH-CD 3.36Å; Y54-R169 WeakPolarHBondContact OH-CG 3.22Å; Y54-R169 PolarHBondContact OH-O 3.46Å; N58-R169 VanDerWaalsContact OD1-CD 3.3Å; N58-R169 WeakPolarHBondContact OD1-CD 3.48Å; I165-R169 HydrophobicContact CG2-CG 4.46Å; I165-R169 VanDerWaalsContact O-CB 3.3Å; I165-R169 WeakPolarHBondContact O-CB 3.48Å; I165-R169 WeakPolarHBondContact O-CD 3.4Å; I165-R169 WeakPolarHBondContact O-CG 3.36Å; I165-R169 PolarHBondContact O-N 2.84Å; V166-R169 PolarHBondContact O-N 3.42Å; Q167-R169 PolarHBondContact O-N 2.87Å; Q167-R169 VanDerWaalsContact O-N 3.07Å |
| 170 | S | 82.8 | Confident | 82.5 | Confident | 50 Ų | 50 | 84.4 Ų | 84.4 | 35% | 0.35 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -102.8 | -18 | -176.5 | -60.2 | 0 | 0 | 0 | 0 | 113.3 | V166 Q167 | V166-S170 WeakPolarHBondContact O-CB 3.32Å; V166-S170 PolarHBondContact O-N 2.85Å; V166-S170 PolarHBondContact O-OG 2.92Å; V166-S170 VanDerWaalsContact O-OG 3.14Å; Q167-S170 PolarHBondContact O-N 3.28Å |
| 171 | V | 80.9 | Confident | 81.7 | Confident | 79 Ų | 79 | 83.3 Ų | 83.3 | 48% | 0.479 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -118 | 116.1 | -179.2 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | Q167 G173 S174 | Q167-V171 PolarHBondContact O-N 2.89Å; V171-G173 PolarHBondContact O-N 3.05Å; V171-S174 VanDerWaalsContact O-CB 3.31Å; V171-S174 WeakPolarHBondContact O-CB 3.35Å; V171-S174 PolarHBondContact O-N 3.49Å; V171-S174 PolarHBondContact O-OG 3.4Å |
| 172 | E | 72.4 | Confident | 80.8 | Confident | 201 Ų | 201 | 84.6 Ų | 84.6 | 94% | 0.939 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 132.2 | 178.6 | -165.7 | 168.1 | -163.4 | 0 | 0 | 111.1 | S174 | E172-S174 PolarHBondContact O-N 3.17Š|
| 173 | G | 69.1 | Low | 79.7 | Confident | 79 Ų | 79 | 87.1 Ų | 87.1 | 81% | 0.814 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 4.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V171 C175 | V171-G173 PolarHBondContact O-N 3.05Å; G173-C175 VanDerWaalsContact C-N 3.31Å; G173-C175 PolarHBondContact O-N 3.41Å |
| 174 | S | 72.1 | Confident | 78.6 | Confident | 42 Ų | 42 | 90.6 Ų | 90.6 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -73.1 | -22.4 | -179.3 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | Q167 C168 V171 E172 | Q167-S174 PolarHBondContact O-OG 2.88Å; C168-S174 VanDerWaalsContact CA-OG 3.28Å; C168-S174 WeakPolarHBondContact CA-OG 3.31Å; V171-S174 VanDerWaalsContact O-CB 3.31Å; V171-S174 WeakPolarHBondContact O-CB 3.35Å; V171-S174 PolarHBondContact O-N 3.49Å; V171-S174 PolarHBondContact O-OG 3.4Å; E172-S174 PolarHBondContact O-N 3.17Å |
| 175 | C | 76 | Confident | 77.4 | Confident | 33 Ų | 33 | 86.8 Ų | 86.8 | 22% | 0.223 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -131.9 | 131 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 108.9 | C168 G173 F177 | C168-C175 WeakPolarHBondContact CA-SG 3.46Å; C168-C175 HydrophobicContact CB-CB 3.56Å; C168-C175 WeakPolarHBondContact CB-SG 3.48Å; C168-C175 WeakPolarHBondContact SG-CB 3.36Å; C168-C175 CovalentContact SG-SG 2.01Å; C168-C175 PolarHBondContact SG-SG 3.21Å; G173-C175 VanDerWaalsContact C-N 3.31Å; G173-C175 PolarHBondContact O-N 3.41Å; C175-F177 PolarHBondContact O-N 3.09Å |
| 176 | G | 56 | Low | 76.1 | Confident | 87 Ų | 87 | 89.8 Ų | 89.8 | 90% | 0.897 | 53% | 0.525 | S | S | * | . | trans | -61.6 | 106 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 177 | F | 50.9 | Low | 74.7 | Confident | 259 Ų | 259 | 97.4 Ų | 97.4 | 100% | 1.136 | 57% | 0.569 | S | S | * | * | trans | -125.7 | 0 | 162.4 | -72.6 | -74.2 | 0 | 0 | 0 | 108.3 | C175 | C175-F177 PolarHBondContact O-N 3.09Š|
Retrieved 177 of 177 residues in 887.5 ms
(Link to these results)