| 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 | 37.1 | Very low | 37.7 | Very low | 245 Ų | 245 | 142.1 Ų | 142.1 | 100% | 1.207 | 77% | 0.772 | S | S | * | * | 0 | 93.4 | 0 | -86 | 174.9 | 161.2 | 0 | 0 | 108.6 | |||||
| 2 | V | 31.9 | Very low | 38.8 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | trans | -106.8 | 101.9 | 171.6 | 176.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 3 | A | 37.3 | Very low | 38.6 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | trans | -132.1 | 98.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 4 | A | 33.5 | Very low | 39.7 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | -64 | 134.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G6 | A4-G6 PolarHBondContact O-N 3.48Š| ||
| 5 | Y | 32.1 | Very low | 40.6 | Very low | 249 Ų | 249 | 136.8 Ų | 136.8 | 98% | 0.976 | 73% | 0.725 | S | S | * | * | 17 | 38.2 | 117.7 | -70.2 | -83.3 | 0 | 0 | 0 | 120.8 | |||||
| 6 | G | 36 | Very low | 41.6 | Very low | 50 Ų | 50 | 132.4 Ų | 132.4 | 52% | 0.515 | 71% | 0.705 | S | S | . | * | trans | -105.1 | -8.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | A4 | A4-G6 PolarHBondContact O-N 3.48Š| ||
| 7 | L | 37 | Very low | 42.6 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -120.4 | -2.1 | -162.2 | -92.9 | 143.6 | 0 | 0 | 0 | 117.1 | ||
| 8 | K | 41.9 | Very low | 43.6 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 84% | 0.835 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -15.2 | -178.2 | -81.6 | -175 | 176.4 | -179.8 | 0 | 115.1 | ||
| 9 | T | 44.4 | Very low | 44.6 | Very low | 101 Ų | 101 | 127 Ų | 127 | 62% | 0.62 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -30.2 | -175.6 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | F11 | T9-F11 PolarHBondContact O-N 3.07Š|
| 10 | N | 39.8 | Very low | 45.4 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -73.3 | -27.5 | -177.3 | -75.1 | -37.9 | 0 | 0 | 0 | 114 | I12 | N10-I12 PolarHBondContact O-N 3.1Å |
| 11 | F | 44.2 | Very low | 46.3 | Very low | 163 Ų | 163 | 125.8 Ų | 125.8 | 72% | 0.715 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.6 | -22.8 | -172.9 | -110.6 | -88.4 | 0 | 0 | 0 | 114.6 | T9 P15 | T9-F11 PolarHBondContact O-N 3.07Å; F11-P15 WeakPolarHBondContact O-CD 3.4Å; F11-P15 WeakPolarHBondContact O-CG 3.48Å |
| 12 | I | 50 | Low | 47.4 | Very low | 120 Ų | 120 | 121 Ų | 121 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -84.5 | -27.4 | 179 | -61 | 171.1 | 0 | 0 | 0 | 111 | N10 P15 T16 | N10-I12 PolarHBondContact O-N 3.1Å; I12-P15 WeakPolarHBondContact O-CD 3.41Å; I12-T16 PolarHBondContact O-OG1 3.07Å |
| 13 | W | 37.2 | Very low | 48.5 | Very low | 179 Ų | 179 | 118 Ų | 118 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71 | -38.5 | -177.7 | -90.8 | 77.6 | 0 | 0 | 0 | 113.4 | T16 I17 | W13-T16 PolarHBondContact O-N 3.17Å; W13-I17 HydrophobicContact CE3-CD1 3.9Å; W13-I17 HydrophobicContact CE3-CG1 4.36Å; W13-I17 VanDerWaalsContact O-CG1 3.31Å; W13-I17 WeakPolarHBondContact O-CG1 3.08Å; W13-I17 PolarHBondContact O-N 2.9Å |
| 14 | I | 53.5 | Low | 49.2 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 56% | 0.564 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.7 | -47.4 | -174.6 | -59.2 | 167.8 | 0 | 0 | 0 | 112.9 | T16 Q18 | I14-T16 VanDerWaalsContact C-N 3.31Å; I14-T16 PolarHBondContact O-N 3.35Å; I14-Q18 WeakPolarHBondContact O-CG 3.31Å; I14-Q18 PolarHBondContact O-N 3.23Å |
| 15 | P | 52.4 | Low | 50.6 | Low | 80 Ų | 80 | 121.8 Ų | 121.8 | 52% | 0.519 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63 | -38.7 | 175.9 | -18.4 | 29.5 | 0 | 0 | 0 | 112.1 | F11 I12 Q18 L19 | F11-P15 WeakPolarHBondContact O-CD 3.4Å; F11-P15 WeakPolarHBondContact O-CG 3.48Å; I12-P15 WeakPolarHBondContact O-CD 3.41Å; P15-Q18 PolarHBondContact O-N 3.18Å; P15-L19 WeakPolarHBondContact O-CB 3.34Å; P15-L19 PolarHBondContact O-N 3.1Å |
| 16 | T | 57.4 | Low | 51.8 | Low | 66 Ų | 66 | 119.2 Ų | 119.2 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.1 | -43.1 | -177.3 | -45.2 | 0 | 0 | 0 | 0 | 111.1 | I12 W13 I14 Q18 L19 I20 | I12-T16 PolarHBondContact O-OG1 3.07Å; W13-T16 PolarHBondContact O-N 3.17Å; I14-T16 VanDerWaalsContact C-N 3.31Å; I14-T16 PolarHBondContact O-N 3.35Å; T16-Q18 PolarHBondContact O-N 3.34Å; T16-L19 PolarHBondContact O-N 3.1Å; T16-I20 HydrophobicContact CG2-CD1 4.06Å; T16-I20 WeakPolarHBondContact O-CB 3.37Å; T16-I20 WeakPolarHBondContact O-CD1 3.47Å; T16-I20 VanDerWaalsContact O-CG1 3.22Å; T16-I20 WeakPolarHBondContact O-CG1 3.45Å; T16-I20 PolarHBondContact O-N 2.73Å |
| 17 | I | 58.8 | Low | 52.6 | Low | 73 Ų | 73 | 126 Ų | 126 | 37% | 0.374 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63 | -42.5 | 175 | -68.1 | 164.2 | 0 | 0 | 0 | 111.4 | W13 I20 K21 | W13-I17 HydrophobicContact CE3-CD1 3.9Å; W13-I17 HydrophobicContact CE3-CG1 4.36Å; W13-I17 VanDerWaalsContact O-CG1 3.31Å; W13-I17 WeakPolarHBondContact O-CG1 3.08Å; W13-I17 PolarHBondContact O-N 2.9Å; I17-I20 PolarHBondContact O-N 3.23Å; I17-K21 HydrophobicContact CG2-CD 4.38Å; I17-K21 WeakPolarHBondContact O-CG 3.47Å; I17-K21 PolarHBondContact O-N 3.2Å |
| 18 | Q | 60.4 | Low | 54.4 | Low | 110 Ų | 110 | 122 Ų | 122 | 51% | 0.514 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.2 | -39.1 | 178.3 | -75.5 | -72.8 | 4.4 | 0 | 0 | 112.2 | I14 P15 T16 K21 K22 | I14-Q18 WeakPolarHBondContact O-CG 3.31Å; I14-Q18 PolarHBondContact O-N 3.23Å; P15-Q18 PolarHBondContact O-N 3.18Å; T16-Q18 PolarHBondContact O-N 3.34Å; Q18-K21 PolarHBondContact O-N 2.85Å; Q18-K22 PolarHBondContact O-N 2.81Å |
| 19 | L | 61.8 | Low | 55.5 | Low | 112 Ų | 112 | 120.7 Ų | 120.7 | 59% | 0.586 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.2 | -43.6 | 175.6 | -162 | 78.4 | 0 | 0 | 0 | 111.3 | P15 T16 K22 L23 | P15-L19 WeakPolarHBondContact O-CB 3.34Å; P15-L19 PolarHBondContact O-N 3.1Å; T16-L19 PolarHBondContact O-N 3.1Å; L19-K22 PolarHBondContact O-N 2.68Å; L19-L23 HydrophobicContact CD2-CD1 4.39Å; L19-L23 HydrophobicContact CG-CD1 4.07Å; L19-L23 WeakPolarHBondContact O-CB 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.26Å |
| 20 | I | 61.9 | Low | 56.8 | Low | 103 Ų | 103 | 118.8 Ų | 118.8 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62 | -43.4 | 176.1 | -68.7 | 165.1 | 0 | 0 | 0 | 110.8 | T16 I17 L23 Y24 | T16-I20 HydrophobicContact CG2-CD1 4.06Å; T16-I20 WeakPolarHBondContact O-CB 3.37Å; T16-I20 WeakPolarHBondContact O-CD1 3.47Å; T16-I20 VanDerWaalsContact O-CG1 3.22Å; T16-I20 WeakPolarHBondContact O-CG1 3.45Å; T16-I20 PolarHBondContact O-N 2.73Å; I17-I20 PolarHBondContact O-N 3.23Å; I20-L23 PolarHBondContact O-N 3.35Å; I20-Y24 VanDerWaalsContact O-CB 3.26Å; I20-Y24 WeakPolarHBondContact O-CB 3.33Å; I20-Y24 PolarHBondContact O-N 3.08Å |
| 21 | K | 63.4 | Low | 58.6 | Low | 126 Ų | 126 | 116.7 Ų | 116.7 | 55% | 0.548 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -47.4 | 175.8 | -77.4 | -176.2 | 178.3 | -175.3 | 0 | 112 | I17 Q18 L23 Y24 I25 | I17-K21 HydrophobicContact CG2-CD 4.38Å; I17-K21 WeakPolarHBondContact O-CG 3.47Å; I17-K21 PolarHBondContact O-N 3.2Å; Q18-K21 PolarHBondContact O-N 2.85Å; K21-L23 PolarHBondContact O-N 2.85Å; K21-Y24 PolarHBondContact O-N 2.96Å; K21-I25 WeakPolarHBondContact O-CB 3.04Å; K21-I25 WeakPolarHBondContact O-CD1 3.14Å; K21-I25 WeakPolarHBondContact O-CG1 3.44Å; K21-I25 PolarHBondContact O-N 2.74Å |
| 22 | K | 61.4 | Low | 60 | Low | 145 Ų | 145 | 112.8 Ų | 112.8 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 178.3 | -79 | -173.3 | 177.5 | -176.9 | 0 | 112.5 | Q18 L19 R26 | Q18-K22 PolarHBondContact O-N 2.81Å; L19-K22 PolarHBondContact O-N 2.68Å; K22-R26 WeakPolarHBondContact O-CG 2.91Å; K22-R26 PolarHBondContact O-N 3.11Å |
| 23 | L | 53.4 | Low | 61.5 | Low | 84 Ų | 84 | 112.2 Ų | 112.2 | 44% | 0.44 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.9 | -58.3 | 173.6 | -81.1 | 156.8 | 0 | 0 | 0 | 109.4 | L19 I20 K21 I25 R26 W27 | L19-L23 HydrophobicContact CD2-CD1 4.39Å; L19-L23 HydrophobicContact CG-CD1 4.07Å; L19-L23 WeakPolarHBondContact O-CB 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.26Å; I20-L23 PolarHBondContact O-N 3.35Å; K21-L23 PolarHBondContact O-N 2.85Å; L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 PolarHBondContact O-N 2.72Å; L23-R26 WeakPolarHBondContact O-CA 3.39Å; L23-R26 WeakPolarHBondContact O-CB 3.43Å; L23-R26 PolarHBondContact O-N 3.42Å; L23-W27 PolarHBondContact O-N 2.79Å |
| 24 | Y | 53.6 | Low | 63.7 | Low | 167 Ų | 167 | 109 Ų | 109 | 66% | 0.655 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -49.8 | -48.1 | -178.5 | -176.1 | -100.7 | 0 | 0 | 0 | 112.3 | I20 K21 R26 W27 T28 | I20-Y24 VanDerWaalsContact O-CB 3.26Å; I20-Y24 WeakPolarHBondContact O-CB 3.33Å; I20-Y24 PolarHBondContact O-N 3.08Å; K21-Y24 PolarHBondContact O-N 2.96Å; Y24-R26 VanDerWaalsContact C-N 3.33Å; Y24-R26 PolarHBondContact O-N 3.33Å; Y24-W27 PolarHBondContact O-N 2.91Å; Y24-T28 PolarHBondContact O-N 2.95Å; Y24-T28 PolarHBondContact O-OG1 3.17Å |
| 25 | I | 62.6 | Low | 65 | Low | 91 Ų | 91 | 110.4 Ų | 110.4 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 176.3 | -67.5 | 163.6 | 0 | 0 | 0 | 111.5 | K21 L23 T28 W29 | K21-I25 WeakPolarHBondContact O-CB 3.04Å; K21-I25 WeakPolarHBondContact O-CD1 3.14Å; K21-I25 WeakPolarHBondContact O-CG1 3.44Å; K21-I25 PolarHBondContact O-N 2.74Å; L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 PolarHBondContact O-N 2.72Å; I25-T28 PolarHBondContact O-N 2.7Å; I25-W29 WeakPolarHBondContact O-CB 3.4Å; I25-W29 VanDerWaalsContact O-CD1 3.25Å; I25-W29 PolarHBondContact O-N 3.22Å |
| 26 | R | 57.4 | Low | 66.3 | Low | 195 Ų | 195 | 109.8 Ų | 109.8 | 74% | 0.736 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -40.6 | 177.3 | -72.1 | -177.5 | 108.5 | 177.5 | 5 | 112.8 | K22 L23 Y24 T28 W29 A30 | K22-R26 WeakPolarHBondContact O-CG 2.91Å; K22-R26 PolarHBondContact O-N 3.11Å; L23-R26 WeakPolarHBondContact O-CA 3.39Å; L23-R26 WeakPolarHBondContact O-CB 3.43Å; L23-R26 PolarHBondContact O-N 3.42Å; Y24-R26 VanDerWaalsContact C-N 3.33Å; Y24-R26 PolarHBondContact O-N 3.33Å; R26-T28 VanDerWaalsContact C-N 3.33Å; R26-W29 PolarHBondContact O-N 3.03Å; R26-A30 VanDerWaalsContact O-CB 3.29Å; R26-A30 WeakPolarHBondContact O-CB 3.41Å; R26-A30 PolarHBondContact O-N 3.38Å |
| 27 | W | 51.5 | Low | 67.4 | Low | 192 Ų | 192 | 109 Ų | 109 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.7 | -40.8 | 175.5 | -72.8 | 89.4 | 0 | 0 | 0 | 110.7 | L23 Y24 A31 | L23-W27 PolarHBondContact O-N 2.79Å; Y24-W27 PolarHBondContact O-N 2.91Å; W27-A31 WeakPolarHBondContact O-CB 3.48Å; W27-A31 PolarHBondContact O-N 2.84Å |
| 28 | T | 74.7 | Confident | 68.6 | Low | 52 Ų | 52 | 109.3 Ų | 109.3 | 32% | 0.319 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 176.2 | -48.7 | 0 | 0 | 0 | 0 | 111.9 | Y24 I25 R26 A31 I32 | Y24-T28 PolarHBondContact O-N 2.95Å; Y24-T28 PolarHBondContact O-OG1 3.17Å; I25-T28 PolarHBondContact O-N 2.7Å; R26-T28 VanDerWaalsContact C-N 3.33Å; T28-A31 PolarHBondContact O-N 3.47Å; T28-I32 HydrophobicContact CG2-CD1 3.92Å; T28-I32 HydrophobicContact CG2-CG1 4.48Å; T28-I32 VanDerWaalsContact O-CG1 3.23Å; T28-I32 WeakPolarHBondContact O-CG1 3.27Å; T28-I32 PolarHBondContact O-N 2.76Å |
| 29 | W | 64.7 | Low | 69.7 | Low | 163 Ų | 163 | 110.2 Ų | 110.2 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -45.9 | 177.2 | -92.4 | 95.8 | 0 | 0 | 0 | 112.4 | I25 R26 A31 I32 L33 | I25-W29 WeakPolarHBondContact O-CB 3.4Å; I25-W29 VanDerWaalsContact O-CD1 3.25Å; I25-W29 PolarHBondContact O-N 3.22Å; R26-W29 PolarHBondContact O-N 3.03Å; W29-A31 VanDerWaalsContact C-N 3.31Å; W29-A31 PolarHBondContact O-N 3.37Å; W29-I32 PolarHBondContact O-N 2.93Å; W29-L33 WeakPolarHBondContact O-CG 3.49Å; W29-L33 PolarHBondContact O-N 3.27Å |
| 30 | A | 72.5 | Confident | 70.8 | Confident | 61 Ų | 61 | 110 Ų | 110 | 50% | 0.504 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R26 L33 Q34 | R26-A30 VanDerWaalsContact O-CB 3.29Å; R26-A30 WeakPolarHBondContact O-CB 3.41Å; R26-A30 PolarHBondContact O-N 3.38Å; A30-L33 PolarHBondContact O-N 3.13Å; A30-Q34 WeakPolarHBondContact O-CB 3.5Å; A30-Q34 PolarHBondContact O-N 3.31Å |
| 31 | A | 77.8 | Confident | 72 | Confident | 59 Ų | 59 | 111.3 Ų | 111.3 | 49% | 0.488 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W27 T28 W29 Q34 Q35 | W27-A31 WeakPolarHBondContact O-CB 3.48Å; W27-A31 PolarHBondContact O-N 2.84Å; T28-A31 PolarHBondContact O-N 3.47Å; W29-A31 VanDerWaalsContact C-N 3.31Å; W29-A31 PolarHBondContact O-N 3.37Å; A31-Q34 PolarHBondContact O-N 3.43Å; A31-Q35 WeakPolarHBondContact O-CB 3.42Å; A31-Q35 PolarHBondContact O-N 3.01Å |
| 32 | I | 74.1 | Confident | 73.2 | Confident | 80 Ų | 80 | 109.9 Ų | 109.9 | 41% | 0.41 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 176.4 | -69.3 | 164.6 | 0 | 0 | 0 | 110.6 | T28 W29 Q35 T36 | T28-I32 HydrophobicContact CG2-CD1 3.92Å; T28-I32 HydrophobicContact CG2-CG1 4.48Å; T28-I32 VanDerWaalsContact O-CG1 3.23Å; T28-I32 WeakPolarHBondContact O-CG1 3.27Å; T28-I32 PolarHBondContact O-N 2.76Å; W29-I32 PolarHBondContact O-N 2.93Å; I32-Q35 PolarHBondContact O-N 2.9Å; I32-T36 WeakPolarHBondContact O-CB 3.48Å; I32-T36 PolarHBondContact O-N 2.82Å; I32-T36 PolarHBondContact O-OG1 3.23Å |
| 33 | L | 81.2 | Confident | 74.3 | Confident | 108 Ų | 108 | 105.3 Ų | 105.3 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 178.3 | -71.1 | 173.6 | 0 | 0 | 0 | 111.7 | W29 A30 T36 A37 | W29-L33 WeakPolarHBondContact O-CG 3.49Å; W29-L33 PolarHBondContact O-N 3.27Å; A30-L33 PolarHBondContact O-N 3.13Å; L33-T36 PolarHBondContact O-N 2.63Å; L33-A37 WeakPolarHBondContact O-CB 3.31Å; L33-A37 PolarHBondContact O-N 3.02Å |
| 34 | Q | 82.4 | Confident | 75.7 | Confident | 112 Ų | 112 | 106.3 Ų | 106.3 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 176 | -170.8 | 62.7 | 49.2 | 0 | 0 | 111.4 | A30 A31 T36 A37 D38 | A30-Q34 WeakPolarHBondContact O-CB 3.5Å; A30-Q34 PolarHBondContact O-N 3.31Å; A31-Q34 PolarHBondContact O-N 3.43Å; Q34-T36 VanDerWaalsContact C-N 3.25Å; Q34-T36 PolarHBondContact O-N 3.4Å; Q34-A37 PolarHBondContact O-N 3.12Å; Q34-A37 VanDerWaalsContact O-N 3.15Å; Q34-D38 PolarHBondContact NE2-OD1 2.91Å; Q34-D38 PolarHBondContact O-N 3.39Å |
| 35 | Q | 81.5 | Confident | 77.3 | Confident | 140 Ų | 140 | 102.2 Ų | 102.2 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.1 | -37.9 | 176.6 | -174.1 | -179.4 | 4.8 | 0 | 0 | 111.9 | A31 I32 Y39 | A31-Q35 WeakPolarHBondContact O-CB 3.42Å; A31-Q35 PolarHBondContact O-N 3.01Å; I32-Q35 PolarHBondContact O-N 2.9Å; Q35-Y39 WeakPolarHBondContact O-CB 3.22Å; Q35-Y39 PolarHBondContact O-N 3.29Å |
| 36 | T | 79.1 | Confident | 78.5 | Confident | 67 Ų | 67 | 103.5 Ų | 103.5 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 176.8 | -53.1 | 0 | 0 | 0 | 0 | 111 | I32 L33 Q34 Y39 L40 | I32-T36 WeakPolarHBondContact O-CB 3.48Å; I32-T36 PolarHBondContact O-N 2.82Å; I32-T36 PolarHBondContact O-OG1 3.23Å; L33-T36 PolarHBondContact O-N 2.63Å; Q34-T36 VanDerWaalsContact C-N 3.25Å; Q34-T36 PolarHBondContact O-N 3.4Å; T36-Y39 PolarHBondContact O-N 3.45Å; T36-L40 HydrophobicContact CG2-CD1 4.33Å; T36-L40 WeakPolarHBondContact O-CG 3.37Å; T36-L40 PolarHBondContact O-N 2.95Å |
| 37 | A | 81.2 | Confident | 79.8 | Confident | 48 Ų | 48 | 98.1 Ų | 98.1 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L33 Q34 Y39 L40 Q41 | L33-A37 WeakPolarHBondContact O-CB 3.31Å; L33-A37 PolarHBondContact O-N 3.02Å; Q34-A37 PolarHBondContact O-N 3.12Å; Q34-A37 VanDerWaalsContact O-N 3.15Å; A37-Y39 VanDerWaalsContact C-N 3.34Å; A37-Y39 PolarHBondContact O-N 3.19Å; A37-L40 PolarHBondContact O-N 3.22Å; A37-Q41 PolarHBondContact O-N 3.21Å |
| 38 | D | 84.4 | Confident | 81.5 | Confident | 80 Ų | 80 | 92.1 Ų | 92.1 | 43% | 0.428 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 177.6 | -61.4 | -16.7 | 0 | 0 | 0 | 111.2 | Q34 Q41 E42 | Q34-D38 PolarHBondContact NE2-OD1 2.91Å; Q34-D38 PolarHBondContact O-N 3.39Å; D38-Q41 PolarHBondContact O-N 3.1Å; D38-E42 PolarHBondContact O-N 3.48Å |
| 39 | Y | 83.2 | Confident | 82.1 | Confident | 130 Ų | 130 | 94 Ų | 94 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 176.4 | -179 | -105.8 | 0 | 0 | 0 | 112.9 | Q35 T36 A37 Q41 E42 I43 | Q35-Y39 WeakPolarHBondContact O-CB 3.22Å; Q35-Y39 PolarHBondContact O-N 3.29Å; T36-Y39 PolarHBondContact O-N 3.45Å; A37-Y39 VanDerWaalsContact C-N 3.34Å; A37-Y39 PolarHBondContact O-N 3.19Å; Y39-Q41 VanDerWaalsContact C-N 3.33Å; Y39-E42 PolarHBondContact O-N 2.74Å; Y39-I43 HydrophobicContact CD1-CD1 3.82Å; Y39-I43 HydrophobicContact CE1-CD1 3.25Å; Y39-I43 HydrophobicContact CE1-CG1 4.24Å; Y39-I43 HydrophobicContact CE2-CD1 4.38Å; Y39-I43 WeakPolarHBondContact O-CG1 3.27Å; Y39-I43 PolarHBondContact O-N 3.32Å |
| 40 | L | 84.5 | Confident | 83.1 | Confident | 107 Ų | 107 | 90.8 Ų | 90.8 | 56% | 0.56 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 175.8 | -73.3 | 171.9 | 0 | 0 | 0 | 111.4 | T36 A37 E42 I43 D44 | T36-L40 HydrophobicContact CG2-CD1 4.33Å; T36-L40 WeakPolarHBondContact O-CG 3.37Å; T36-L40 PolarHBondContact O-N 2.95Å; A37-L40 PolarHBondContact O-N 3.22Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-I43 PolarHBondContact O-N 3.32Å; L40-D44 PolarHBondContact O-N 3.4Å |
| 41 | Q | 87.5 | Confident | 83.8 | Confident | 131 Ų | 131 | 92.5 Ų | 92.5 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 175 | -172 | 176.9 | 3.6 | 0 | 0 | 112 | A37 D38 Y39 D44 T45 | A37-Q41 PolarHBondContact O-N 3.21Å; D38-Q41 PolarHBondContact O-N 3.1Å; Y39-Q41 VanDerWaalsContact C-N 3.33Å; Q41-D44 PolarHBondContact O-N 3.12Å; Q41-T45 WeakPolarHBondContact O-CG2 3.32Å; Q41-T45 PolarHBondContact O-N 2.86Å; Q41-T45 PolarHBondContact O-OG1 3.49Å |
| 42 | E | 87.9 | Confident | 84.3 | Confident | 95 Ų | 95 | 95.7 Ų | 95.7 | 44% | 0.444 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 175.1 | -158.8 | -162.5 | 150.5 | 0 | 0 | 112 | D38 Y39 L40 T45 R46 | D38-E42 PolarHBondContact O-N 3.48Å; Y39-E42 PolarHBondContact O-N 2.74Å; L40-E42 VanDerWaalsContact C-N 3.35Å; E42-T45 PolarHBondContact O-OG1 2.97Å; E42-R46 WeakPolarHBondContact O-CG 3.48Å; E42-R46 PolarHBondContact O-N 3.32Å; E42-R46 IonicContact OE1-CZ 3.95Å; E42-R46 VanDerWaalsContact OE1-CZ 3.32Å; E42-R46 IonicContact OE1-NE 3.32Å; E42-R46 PolarHBondContact OE1-NE 2.93Å; E42-R46 VanDerWaalsContact OE1-NE 3.13Å; E42-R46 IonicContact OE1-NH2 3.32Å; E42-R46 PolarHBondContact OE1-NH2 3.47Å; E42-R46 IonicContact OE2-NH2 3.15Å; E42-R46 PolarHBondContact OE2-NH2 3.17Å |
| 43 | I | 85.6 | Confident | 85 | Confident | 50 Ų | 50 | 97.1 Ų | 97.1 | 26% | 0.256 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 175.5 | -72.8 | 175.2 | 0 | 0 | 0 | 111 | Y39 L40 T45 R46 N47 | Y39-I43 HydrophobicContact CD1-CD1 3.82Å; Y39-I43 HydrophobicContact CE1-CD1 3.25Å; Y39-I43 HydrophobicContact CE1-CG1 4.24Å; Y39-I43 HydrophobicContact CE2-CD1 4.38Å; Y39-I43 WeakPolarHBondContact O-CG1 3.27Å; Y39-I43 PolarHBondContact O-N 3.32Å; L40-I43 PolarHBondContact O-N 3.32Å; I43-T45 PolarHBondContact O-N 2.89Å; I43-R46 PolarHBondContact O-N 2.89Å; I43-N47 VanDerWaalsContact O-CG 3.3Å; I43-N47 PolarHBondContact O-N 3.22Å |
| 44 | D | 82.7 | Confident | 85.2 | Confident | 104 Ų | 104 | 97.4 Ų | 97.4 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | -177.6 | -165.1 | 36.4 | 0 | 0 | 0 | 111.5 | L40 Q41 R46 N47 V48 | L40-D44 PolarHBondContact O-N 3.4Å; Q41-D44 PolarHBondContact O-N 3.12Å; D44-R46 PolarHBondContact O-N 3.08Å; D44-N47 PolarHBondContact O-N 3.37Å; D44-V48 WeakPolarHBondContact O-CG2 3.34Å; D44-V48 PolarHBondContact O-N 3.16Å |
| 45 | T | 86.6 | Confident | 85.3 | Confident | 82 Ų | 82 | 94.7 Ų | 94.7 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 174.7 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | Q41 E42 I43 V48 N49 | Q41-T45 WeakPolarHBondContact O-CG2 3.32Å; Q41-T45 PolarHBondContact O-N 2.86Å; Q41-T45 PolarHBondContact O-OG1 3.49Å; E42-T45 PolarHBondContact O-OG1 2.97Å; I43-T45 PolarHBondContact O-N 2.89Å; T45-V48 PolarHBondContact O-N 2.99Å; T45-N49 PolarHBondContact O-N 3.29Å; T45-N49 VanDerWaalsContact O-N 3.13Å |
| 46 | R | 87.8 | Confident | 85.6 | Confident | 118 Ų | 118 | 95 Ų | 95 | 45% | 0.445 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 173 | -75 | -167.6 | -122.7 | 136.5 | -4.4 | 111.7 | E42 I43 D44 N49 L50 | E42-R46 WeakPolarHBondContact O-CG 3.48Å; E42-R46 PolarHBondContact O-N 3.32Å; E42-R46 IonicContact OE1-CZ 3.95Å; E42-R46 VanDerWaalsContact OE1-CZ 3.32Å; E42-R46 IonicContact OE1-NE 3.32Å; E42-R46 PolarHBondContact OE1-NE 2.93Å; E42-R46 VanDerWaalsContact OE1-NE 3.13Å; E42-R46 IonicContact OE1-NH2 3.32Å; E42-R46 PolarHBondContact OE1-NH2 3.47Å; E42-R46 IonicContact OE2-NH2 3.15Å; E42-R46 PolarHBondContact OE2-NH2 3.17Å; I43-R46 PolarHBondContact O-N 2.89Å; D44-R46 PolarHBondContact O-N 3.08Å; R46-N49 PolarHBondContact O-N 3.35Å; R46-L50 PolarHBondContact O-N 3.44Å |
| 47 | N | 83.8 | Confident | 85.6 | Confident | 81 Ų | 81 | 97.2 Ų | 97.2 | 43% | 0.433 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 177.7 | -73.3 | -18.2 | 0 | 0 | 0 | 111.6 | I43 D44 N49 L50 V51 | I43-N47 VanDerWaalsContact O-CG 3.3Å; I43-N47 PolarHBondContact O-N 3.22Å; D44-N47 PolarHBondContact O-N 3.37Å; N47-N49 VanDerWaalsContact C-N 3.28Å; N47-N49 PolarHBondContact O-N 3.21Å; N47-L50 PolarHBondContact O-N 3.11Å; N47-V51 VanDerWaalsContact O-CG2 3.32Å; N47-V51 WeakPolarHBondContact O-CG2 3.28Å; N47-V51 PolarHBondContact O-N 3.46Å |
| 48 | V | 87.4 | Confident | 85.7 | Confident | 67 Ų | 67 | 103.2 Ų | 103.2 | 41% | 0.406 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | D44 T45 K52 | D44-V48 WeakPolarHBondContact O-CG2 3.34Å; D44-V48 PolarHBondContact O-N 3.16Å; T45-V48 PolarHBondContact O-N 2.99Å; V48-K52 HydrophobicContact CG1-CD 4.42Å; V48-K52 WeakPolarHBondContact O-CG 3.29Å; V48-K52 PolarHBondContact O-N 3.38Å |
| 49 | N | 87.4 | Confident | 85.7 | Confident | 92 Ų | 92 | 106.2 Ų | 106.2 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 176.5 | -165 | -15.7 | 0 | 0 | 0 | 111.9 | T45 R46 N47 V51 K52 Q53 | T45-N49 PolarHBondContact O-N 3.29Å; T45-N49 VanDerWaalsContact O-N 3.13Å; R46-N49 PolarHBondContact O-N 3.35Å; N47-N49 VanDerWaalsContact C-N 3.28Å; N47-N49 PolarHBondContact O-N 3.21Å; N49-V51 VanDerWaalsContact C-N 3.34Å; N49-V51 PolarHBondContact O-N 2.94Å; N49-K52 CarbonylContact O-C 3.59Å; N49-K52 WeakPolarHBondContact O-CA 3.16Å; N49-K52 WeakPolarHBondContact O-CB 3.38Å; N49-K52 PolarHBondContact O-N 2.95Å; N49-K52 VanDerWaalsContact O-N 3.11Å; N49-Q53 PolarHBondContact O-N 2.97Å |
| 50 | L | 86.8 | Confident | 85.4 | Confident | 95 Ų | 95 | 105.3 Ų | 105.3 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 175.3 | -73.1 | 172.4 | 0 | 0 | 0 | 111.8 | R46 N47 K52 Q53 L54 | R46-L50 PolarHBondContact O-N 3.44Å; N47-L50 PolarHBondContact O-N 3.11Å; L50-K52 VanDerWaalsContact C-N 3.31Å; L50-K52 PolarHBondContact O-N 3.1Å; L50-Q53 PolarHBondContact O-N 3.13Å; L50-L54 WeakPolarHBondContact O-CB 3.44Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 2.8Å |
| 51 | V | 87.1 | Confident | 84.9 | Confident | 97 Ų | 97 | 106.5 Ų | 106.5 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -41.7 | 174.5 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | N47 N49 L54 S55 | N47-V51 VanDerWaalsContact O-CG2 3.32Å; N47-V51 WeakPolarHBondContact O-CG2 3.28Å; N47-V51 PolarHBondContact O-N 3.46Å; N49-V51 VanDerWaalsContact C-N 3.34Å; N49-V51 PolarHBondContact O-N 2.94Å; V51-L54 PolarHBondContact O-N 3.13Å; V51-S55 WeakPolarHBondContact O-CB 3.45Å; V51-S55 PolarHBondContact O-N 2.93Å |
| 52 | K | 88.8 | Confident | 84.3 | Confident | 126 Ų | 126 | 106.3 Ų | 106.3 | 55% | 0.548 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.2 | -77.5 | 175.2 | -178 | 176.1 | 0 | 111.8 | V48 N49 L50 S55 K56 | V48-K52 HydrophobicContact CG1-CD 4.42Å; V48-K52 WeakPolarHBondContact O-CG 3.29Å; V48-K52 PolarHBondContact O-N 3.38Å; N49-K52 CarbonylContact O-C 3.59Å; N49-K52 WeakPolarHBondContact O-CA 3.16Å; N49-K52 WeakPolarHBondContact O-CB 3.38Å; N49-K52 PolarHBondContact O-N 2.95Å; N49-K52 VanDerWaalsContact O-N 3.11Å; L50-K52 VanDerWaalsContact C-N 3.31Å; L50-K52 PolarHBondContact O-N 3.1Å; K52-S55 PolarHBondContact O-N 3.35Å; K52-S55 PolarHBondContact O-OG 3.35Å; K52-K56 PolarHBondContact O-N 3.48Å |
| 53 | Q | 88.9 | Confident | 83.4 | Confident | 110 Ų | 110 | 107.9 Ų | 107.9 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 177.2 | -71.2 | -164.7 | -21.3 | 0 | 0 | 112.4 | N49 L50 S55 K56 L57 | N49-Q53 PolarHBondContact O-N 2.97Å; L50-Q53 PolarHBondContact O-N 3.13Å; Q53-S55 VanDerWaalsContact C-N 3.29Å; Q53-S55 PolarHBondContact O-N 3.02Å; Q53-K56 WeakPolarHBondContact O-CB 3.2Å; Q53-K56 PolarHBondContact O-N 3.18Å; Q53-K56 VanDerWaalsContact O-N 3.14Å; Q53-L57 PolarHBondContact O-N 3.44Å |
| 54 | L | 85.4 | Confident | 81.7 | Confident | 114 Ų | 114 | 113.7 Ų | 113.7 | 60% | 0.597 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.4 | -39.7 | 173.9 | -72.7 | 173.6 | 0 | 0 | 0 | 111.6 | L50 V51 K56 L57 R58 | L50-L54 WeakPolarHBondContact O-CB 3.44Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 2.8Å; V51-L54 PolarHBondContact O-N 3.13Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 2.89Å; L54-L57 PolarHBondContact O-N 3.35Å; L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 2.99Å |
| 55 | S | 84.3 | Confident | 79.7 | Confident | 55 Ų | 55 | 111 Ų | 111 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -35.5 | 175.4 | 76.9 | 0 | 0 | 0 | 0 | 112.9 | V51 K52 Q53 K59 | V51-S55 WeakPolarHBondContact O-CB 3.45Å; V51-S55 PolarHBondContact O-N 2.93Å; K52-S55 PolarHBondContact O-N 3.35Å; K52-S55 PolarHBondContact O-OG 3.35Å; Q53-S55 VanDerWaalsContact C-N 3.29Å; Q53-S55 PolarHBondContact O-N 3.02Å; S55-K59 WeakPolarHBondContact O-CG 3.26Å; S55-K59 PolarHBondContact O-N 3.48Å |
| 56 | K | 87.3 | Confident | 77.8 | Confident | 146 Ų | 146 | 112.8 Ų | 112.8 | 64% | 0.635 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.5 | -44.8 | 173.5 | -74.5 | 178.7 | 179.6 | -178.7 | 0 | 111.7 | K52 Q53 L54 R58 K59 L60 | K52-K56 PolarHBondContact O-N 3.48Å; Q53-K56 WeakPolarHBondContact O-CB 3.2Å; Q53-K56 PolarHBondContact O-N 3.18Å; Q53-K56 VanDerWaalsContact O-N 3.14Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 2.89Å; K56-R58 VanDerWaalsContact C-N 3.34Å; K56-K59 PolarHBondContact O-N 3.23Å; K56-L60 PolarHBondContact O-N 3.35Å |
| 57 | L | 78.8 | Confident | 75.3 | Confident | 114 Ų | 114 | 116.9 Ų | 116.9 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.2 | -42.4 | 176.2 | -77.7 | 167.7 | 0 | 0 | 0 | 111.4 | Q53 L54 K59 L60 L61 | Q53-L57 PolarHBondContact O-N 3.44Å; L54-L57 PolarHBondContact O-N 3.35Å; L57-K59 PolarHBondContact O-N 3.33Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L60 PolarHBondContact O-N 3.43Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 PolarHBondContact O-N 2.93Å |
| 58 | R | 84 | Confident | 73 | Confident | 173 Ų | 173 | 120.6 Ų | 120.6 | 65% | 0.653 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.4 | -46 | 174.3 | -175.7 | 177.9 | 178.1 | 164.7 | 6.9 | 111.8 | L54 K56 L60 L61 E62 | L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 2.99Å; K56-R58 VanDerWaalsContact C-N 3.34Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 2.67Å; R58-L61 PolarHBondContact O-N 3.39Å; R58-E62 IonicContact NE-OE1 3.54Å; R58-E62 PolarHBondContact NE-OE1 2.92Å; R58-E62 VanDerWaalsContact NE-OE1 3.15Å; R58-E62 WeakPolarHBondContact O-CG 3.45Å; R58-E62 PolarHBondContact O-N 3.15Å |
| 59 | K | 83.1 | Confident | 70.3 | Confident | 143 Ų | 143 | 125.6 Ų | 125.6 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.2 | -39.7 | 174.9 | -74.7 | -178.5 | 179.2 | -173.1 | 0 | 112.6 | S55 K56 L57 L61 E62 V63 | S55-K59 WeakPolarHBondContact O-CG 3.26Å; S55-K59 PolarHBondContact O-N 3.48Å; K56-K59 PolarHBondContact O-N 3.23Å; L57-K59 PolarHBondContact O-N 3.33Å; K59-L61 VanDerWaalsContact C-N 3.33Å; K59-E62 PolarHBondContact O-N 2.88Å; K59-V63 VanDerWaalsContact O-CG2 3.27Å; K59-V63 WeakPolarHBondContact O-CG2 3.21Å; K59-V63 PolarHBondContact O-N 3.31Å |
| 60 | L | 77.7 | Confident | 67.5 | Low | 111 Ų | 111 | 128.9 Ų | 128.9 | 58% | 0.581 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.4 | -39.7 | 175.3 | -86.9 | 157.4 | 0 | 0 | 0 | 112.1 | K56 L57 R58 V63 K64 | K56-L60 PolarHBondContact O-N 3.35Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L60 PolarHBondContact O-N 3.43Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 2.67Å; L60-V63 PolarHBondContact O-N 3.43Å; L60-K64 PolarHBondContact O-N 2.89Å |
| 61 | L | 73.3 | Confident | 65 | Low | 132 Ų | 132 | 130.2 Ų | 130.2 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.2 | -38.6 | 176.7 | -161.6 | 80.7 | 0 | 0 | 0 | 111.9 | L57 R58 K59 V63 K64 G65 | L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 PolarHBondContact O-N 2.93Å; R58-L61 PolarHBondContact O-N 3.39Å; K59-L61 VanDerWaalsContact C-N 3.33Å; L61-V63 VanDerWaalsContact C-N 3.34Å; L61-K64 CarbonylContact O-C 3.16Å; L61-K64 PolarHBondContact O-N 3.34Å; L61-K64 VanDerWaalsContact O-O 3.12Å; L61-G65 PolarHBondContact O-N 2.81Å |
| 62 | E | 75 | Confident | 62.2 | Low | 127 Ų | 127 | 132.9 Ų | 132.9 | 59% | 0.593 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67 | -33.3 | 175.5 | -74.4 | 174.3 | -170.1 | 0 | 0 | 112.1 | R58 K59 | R58-E62 IonicContact NE-OE1 3.54Å; R58-E62 PolarHBondContact NE-OE1 2.92Å; R58-E62 VanDerWaalsContact NE-OE1 3.15Å; R58-E62 WeakPolarHBondContact O-CG 3.45Å; R58-E62 PolarHBondContact O-N 3.15Å; K59-E62 PolarHBondContact O-N 2.88Å |
| 63 | V | 69.4 | Low | 59.7 | Low | 129 Ų | 129 | 131.4 Ų | 131.4 | 78% | 0.782 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -80.4 | -32.4 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 112.4 | K59 L60 L61 | K59-V63 VanDerWaalsContact O-CG2 3.27Å; K59-V63 WeakPolarHBondContact O-CG2 3.21Å; K59-V63 PolarHBondContact O-N 3.31Å; L60-V63 PolarHBondContact O-N 3.43Å; L61-V63 VanDerWaalsContact C-N 3.34Å |
| 64 | K | 50.6 | Low | 57.4 | Low | 172 Ų | 172 | 131.3 Ų | 131.3 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -102.5 | 67.4 | 169.6 | -79.7 | -174.2 | 173.2 | -178 | 0 | 109.8 | L60 L61 | L60-K64 PolarHBondContact O-N 2.89Å; L61-K64 CarbonylContact O-C 3.16Å; L61-K64 PolarHBondContact O-N 3.34Å; L61-K64 VanDerWaalsContact O-O 3.12Å |
| 65 | G | 39.3 | Very low | 54.6 | Low | 48 Ų | 48 | 134.1 Ų | 134.1 | 50% | 0.495 | 70% | 0.695 | S | S | . | * | trans | -50.8 | 139.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L61 K67 | L61-G65 PolarHBondContact O-N 2.81Å; G65-K67 PolarHBondContact O-N 2.86Å; G65-K67 VanDerWaalsContact O-N 3.17Å | ||
| 66 | P | 47.5 | Very low | 52.3 | Low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | trans | -62.6 | 119.2 | -174.4 | 24.2 | -31.8 | 0 | 0 | 0 | 109.7 | E68 | P66-E68 VanDerWaalsContact C-N 3.31Å; P66-E68 PolarHBondContact O-N 2.97Å | ||
| 67 | K | 35.7 | Very low | 49.7 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | -64.9 | 101.2 | 158.1 | -82.1 | -172.8 | 173.6 | -176.8 | 0 | 106.4 | G65 Q69 | G65-K67 PolarHBondContact O-N 2.86Å; G65-K67 VanDerWaalsContact O-N 3.17Å; K67-Q69 VanDerWaalsContact C-N 3.31Å; K67-Q69 PolarHBondContact O-N 3.27Å | ||
| 68 | E | 35.7 | Very low | 47.3 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -54.3 | 95.4 | 164.8 | -71.2 | 175.5 | 162.5 | 0 | 0 | 108.6 | P66 | P66-E68 VanDerWaalsContact C-N 3.31Å; P66-E68 PolarHBondContact O-N 2.97Å | ||
| 69 | Q | 31.2 | Very low | 44.9 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -101.4 | 80.8 | 164.1 | -152.6 | 168.7 | 30.2 | 0 | 0 | 106 | K67 T71 | K67-Q69 VanDerWaalsContact C-N 3.31Å; K67-Q69 PolarHBondContact O-N 3.27Å; Q69-T71 PolarHBondContact O-N 3.34Å | ||
| 70 | H | 28.7 | Very low | 42.4 | Very low | 160 Ų | 160 | 136 Ų | 136 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | -58.6 | 103 | 170.2 | -78.6 | -81.1 | 0 | 0 | 0 | 108.5 | ||||
| 71 | T | 32.8 | Very low | 40.1 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -110.8 | 119 | 165 | -32 | 0 | 0 | 0 | 0 | 106.2 | Q69 | Q69-T71 PolarHBondContact O-N 3.34Š| ||
| 72 | D | 27.9 | Very low | 37.8 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -58.8 | 148.5 | -177.9 | -66.1 | -58.5 | 0 | 0 | 0 | 113.5 | ||||
| 73 | A | 36.7 | Very low | 35.6 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | 93.6 | 148.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 74 | P | 40.1 | Very low | 33.8 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | -128 | 147.6 | -50.1 | 34.9 | -21 | 0 | 0 | 0 | 112.9 | V76 | P74-V76 PolarHBondContact O-N 2.8Å; P74-V76 VanDerWaalsContact O-N 3.12Å | |||
| 75 | E | 26.5 | Very low | 32.7 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 0.4 | 88.7 | 148 | -151.9 | 171.3 | -148.2 | 0 | 0 | 117 | N77 | E75-N77 PolarHBondContact O-N 3.47Š| ||
| 76 | V | 37.4 | Very low | 32.5 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -92.6 | 95.2 | 162.1 | -172.2 | 0 | 0 | 0 | 0 | 107.7 | P74 | P74-V76 PolarHBondContact O-N 2.8Å; P74-V76 VanDerWaalsContact O-N 3.12Å | ||
| 77 | N | 32 | Very low | 31.6 | Very low | 121 Ų | 121 | 146 Ų | 146 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | trans | -51.8 | 141.3 | 169.3 | -86.3 | -54.1 | 0 | 0 | 0 | 111.9 | E75 I79 | E75-N77 PolarHBondContact O-N 3.47Å; N77-I79 PolarHBondContact O-N 3.16Å | ||
| 78 | H | 29 | Very low | 31.2 | Very low | 181 Ų | 181 | 144 Ų | 144 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -54.9 | 121.4 | 173.8 | -63.5 | 4.6 | 0 | 0 | 0 | 111.9 | ||||
| 79 | I | 34.1 | Very low | 31.4 | Very low | 168 Ų | 168 | 141 Ų | 141 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | trans | -151.9 | 124.7 | 143 | -79.4 | 116.7 | 0 | 0 | 0 | 107.4 | N77 | N77-I79 PolarHBondContact O-N 3.16Š| ||
| 80 | G | 28.8 | Very low | 31.4 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | 60 | 103.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q82 | G80-Q82 VanDerWaalsContact C-N 3.26Å; G80-Q82 PolarHBondContact O-N 2.92Å | ||
| 81 | V | 29.4 | Very low | 31.5 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -58.6 | 89.9 | 158.8 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | V83 | V81-V83 HydrophobicContact CG1-CG2 3.73Å; V81-V83 PolarHBondContact O-N 3.24Å | ||
| 82 | Q | 26 | Very low | 31.7 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -87.8 | 98.2 | 165.7 | -144 | 170.3 | 46.3 | 0 | 0 | 106.7 | G80 E84 | G80-Q82 VanDerWaalsContact C-N 3.26Å; G80-Q82 PolarHBondContact O-N 2.92Å; Q82-E84 VanDerWaalsContact C-N 3.27Å; Q82-E84 PolarHBondContact O-N 3.32Å | ||
| 83 | V | 29.2 | Very low | 32 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -71.3 | 87.5 | 170.2 | -174.9 | 0 | 0 | 0 | 0 | 106.9 | V81 | V81-V83 HydrophobicContact CG1-CG2 3.73Å; V81-V83 PolarHBondContact O-N 3.24Å | ||
| 84 | E | 30.5 | Very low | 31.7 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | -115 | 98.3 | 161.6 | -154.6 | 170.4 | -165.2 | 0 | 0 | 109 | Q82 L86 | Q82-E84 VanDerWaalsContact C-N 3.27Å; Q82-E84 PolarHBondContact O-N 3.32Å; E84-L86 PolarHBondContact O-N 3.08Å | ||
| 85 | L | 28.5 | Very low | 31.2 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -60.4 | 100.9 | 167.4 | 179.4 | 80.3 | 0 | 0 | 0 | 108.9 | ||||
| 86 | L | 34.9 | Very low | 31.2 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | -146 | 133.7 | 158.9 | -100.4 | 163.1 | 0 | 0 | 0 | 111.1 | E84 | E84-L86 PolarHBondContact O-N 3.08Š| ||
| 87 | L | 29.6 | Very low | 30.6 | Very low | 142 Ų | 142 | 136 Ų | 136 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -61.7 | 152.3 | -166 | -72.9 | 66.2 | 0 | 0 | 0 | 115.2 | ||||
| 88 | L | 26.9 | Very low | 30.7 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 18.2 | 159.3 | 141.2 | -87.6 | 71 | 0 | 0 | 0 | 120.4 | ||||
| 89 | P | 40.2 | Very low | 31 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | cis | -140.5 | 174 | -26.6 | 40 | -21.5 | 0 | 0 | 0 | 114.9 | ||||
| 90 | N | 29.3 | Very low | 31 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 50.8 | 103.8 | 145 | -62.6 | -29.4 | 0 | 0 | 0 | 122.2 | ||||
| 91 | N | 30.8 | Very low | 31.2 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | 160 | 151.3 | 111.5 | -105.5 | -61.3 | 0 | 0 | 0 | 113.2 | |||||
| 92 | P | 37.2 | Very low | 31.1 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | trans | -93.6 | 122.1 | -164.9 | 35.6 | -29.9 | 0 | 0 | 0 | 112.6 | S94 | P92-S94 PolarHBondContact O-N 2.84Š| ||
| 93 | V | 34.6 | Very low | 31.3 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -97.2 | 87.1 | 161.8 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 94 | S | 30.4 | Very low | 31.4 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -70.5 | 123.7 | 158.9 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | P92 | P92-S94 PolarHBondContact O-N 2.84Š| ||
| 95 | K | 30.7 | Very low | 31.3 | Very low | 204 Ų | 204 | 146.3 Ų | 146.3 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 156.2 | 121.7 | 143.5 | -86.2 | 162.5 | -174.6 | -178 | 0 | 112.2 | ||||
| 96 | G | 25 | Very low | 31.7 | Very low | 88 Ų | 88 | 147 Ų | 147 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | 178.9 | 79.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 97 | G | 24.8 | Very low | 31.6 | Very low | 73 Ų | 73 | 148.9 Ų | 148.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -175.6 | 146.1 | 166 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 98 | P | 35.4 | Very low | 31.8 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -105.7 | 178.1 | -132.9 | 40.4 | -34.5 | 0 | 0 | 0 | 116.5 | ||||
| 99 | P | 34.9 | Very low | 32.2 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | trans | -107.9 | 162.1 | -154.1 | 40 | -32 | 0 | 0 | 0 | 114.5 | ||||
| 100 | K | 33.8 | Very low | 32 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | trans | -179.1 | 141 | 137.2 | -102.7 | 155.5 | -175.9 | 174.8 | 0 | 115.5 | ||||
| 101 | K | 33.1 | Very low | 32 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 84.6 | 90.8 | 154.7 | -74.9 | -178.5 | 173.9 | 179.2 | 0 | 119.9 | ||||
| 102 | R | 27.2 | Very low | 32.1 | Very low | 242 Ų | 242 | 143 Ų | 143 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | 30.2 | 126.1 | 125.3 | -61.5 | 170.7 | 80.3 | 176.8 | 4.1 | 117 | |||||
| 103 | Q | 30 | Very low | 31.7 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | -171.1 | 132 | 109.1 | -164.8 | 152 | -32.1 | 0 | 0 | 114.1 | |||||
| 104 | K | 32.6 | Very low | 31.5 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 50.4 | 98.5 | 157.8 | -78.7 | -180 | 172.4 | -178.5 | 0 | 121.3 | ||||
| 105 | V | 27.7 | Very low | 31.3 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | -26.4 | 128.2 | 132.7 | 179.2 | 0 | 0 | 0 | 0 | 113.9 | K107 | V105-K107 HydrophobicContact CG1-CG 3.84Š| ||
| 106 | N | 37.5 | Very low | 31.3 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | trans | -123 | 129.1 | 137.1 | -91.7 | -20.3 | 0 | 0 | 0 | 108.3 | ||||
| 107 | K | 30.9 | Very low | 31.7 | Very low | 188 Ų | 188 | 145 Ų | 145 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -87.8 | 139.8 | 179.1 | -73.8 | 168.7 | 168.7 | 178.6 | 0 | 109.8 | V105 | V105-K107 HydrophobicContact CG1-CG 3.84Š| ||
| 108 | S | 35.8 | Very low | 31.9 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 176.5 | 100.3 | 135 | 46 | 0 | 0 | 0 | 0 | 107 | ||||
| 109 | S | 34.5 | Very low | 31.7 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | 63.2 | 99.3 | 101 | 63.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 110 | S | 35.6 | Very low | 31.4 | Very low | 99 Ų | 99 | 150.2 Ų | 150.2 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | 76.2 | 115.6 | 102.2 | 84.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 111 | L | 30.2 | Very low | 31.4 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | 53.2 | 110.8 | 107.5 | -84.6 | 157.6 | 0 | 0 | 0 | 109.8 | |||||
| 112 | D | 31.5 | Very low | 31.3 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 66% | 0.658 | 79% | 0.789 | S | S | * | * | -176.7 | 164.6 | 56.2 | -106.3 | -47.8 | 0 | 0 | 0 | 111.5 | |||||
| 113 | D | 29.7 | Very low | 31.4 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 61% | 0.61 | 78% | 0.781 | S | S | * | * | trans | 78.7 | 103.5 | 142.4 | -79 | -35.2 | 0 | 0 | 0 | 121.7 | ||||
| 114 | R | 29.2 | Very low | 31.3 | Very low | 214 Ų | 214 | 141 Ų | 141 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | 67.5 | 119.1 | 113.2 | -73.9 | 177.6 | -169.7 | -150.4 | -5 | 119.4 | |||||
| 115 | C | 26.9 | Very low | 31.3 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 57.2 | 82 | 130 | -62.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 116 | C | 32 | Very low | 31.3 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | trans | -114.5 | 108.9 | 142.3 | -78.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 117 | S | 31.4 | Very low | 31 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -61.6 | 147.7 | 162.6 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 118 | S | 30.5 | Very low | 31 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 57.1 | 96.3 | 141.8 | 52.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 119 | E | 30.6 | Very low | 31 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -140 | 127.9 | 133.4 | -118.3 | 176.6 | 148.4 | 0 | 0 | 110.5 | S121 | E119-S121 PolarHBondContact O-N 3.06Š| ||
| 120 | S | 29.4 | Very low | 31 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -68.3 | 118.7 | 177.7 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 121 | S | 32.5 | Very low | 30.9 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -141.6 | 101.9 | 157.3 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | E119 M123 | E119-S121 PolarHBondContact O-N 3.06Å; S121-M123 PolarHBondContact O-N 3.3Å | ||
| 122 | I | 30.9 | Very low | 31.2 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -65.5 | 110.1 | 162.4 | -78 | 166.1 | 0 | 0 | 0 | 106.1 | ||||
| 123 | M | 29.9 | Very low | 31.6 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -171.6 | 103.3 | 142 | -103.2 | 178.5 | 68.5 | 0 | 0 | 110.3 | S121 | S121-M123 PolarHBondContact O-N 3.3Š| ||
| 124 | E | 28.8 | Very low | 32 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | 47.3 | 88.9 | 144 | -64.5 | -175.6 | 144.5 | 0 | 0 | 119.3 | ||||
| 125 | V | 31.8 | Very low | 32.3 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -137.6 | 116.6 | 146.4 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 126 | E | 28.4 | Very low | 33 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 32.8 | 116.5 | 147.5 | -79.3 | -178.6 | 133.5 | 0 | 0 | 121.9 | ||||
| 127 | S | 29.9 | Very low | 33.6 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | trans | 38.4 | 83.7 | 132.7 | 55.6 | 0 | 0 | 0 | 0 | 118.6 | K129 | S127-K129 VanDerWaalsContact C-N 3.3Å; S127-K129 PolarHBondContact O-N 2.8Å; S127-K129 VanDerWaalsContact O-N 3.08Å | ||
| 128 | A | 31.1 | Very low | 34.3 | Very low | 102 Ų | 102 | 138 Ų | 138 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -71.8 | 91.3 | 147.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | S130 | A128-S130 PolarHBondContact O-N 3.43Š| ||
| 129 | K | 36.5 | Very low | 35 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -61 | 106.6 | 159.5 | -77.3 | 172 | 179.7 | 169.8 | 0 | 106.2 | S127 E131 | S127-K129 VanDerWaalsContact C-N 3.3Å; S127-K129 PolarHBondContact O-N 2.8Å; S127-K129 VanDerWaalsContact O-N 3.08Å; K129-E131 PolarHBondContact O-N 3.16Å | ||
| 130 | S | 34 | Very low | 36.1 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -60.2 | 90 | 163.1 | 34.1 | 0 | 0 | 0 | 0 | 107.8 | A128 A132 | A128-S130 PolarHBondContact O-N 3.43Å; S130-A132 PolarHBondContact O-N 3.45Å | ||
| 131 | E | 34.8 | Very low | 37.3 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | trans | -67.6 | 87.5 | 166.2 | -164.8 | 168.8 | -160.3 | 0 | 0 | 106 | K129 A133 | K129-E131 PolarHBondContact O-N 3.16Å; E131-A133 PolarHBondContact O-N 2.92Å | ||
| 132 | A | 35.9 | Very low | 39.3 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | trans | -60.1 | 94.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | S130 V134 | S130-A132 PolarHBondContact O-N 3.45Å; A132-V134 PolarHBondContact O-N 2.92Å | ||
| 133 | A | 38.7 | Very low | 41.5 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | trans | -55.9 | 92.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | E131 Q135 | E131-A133 PolarHBondContact O-N 2.92Å; A133-Q135 PolarHBondContact O-N 3.19Å | ||
| 134 | V | 39.7 | Very low | 43.8 | Very low | 117 Ų | 117 | 123 Ų | 123 | 71% | 0.709 | 69% | 0.694 | S | S | * | * | trans | -61.2 | 100.7 | 163.4 | 175.8 | 0 | 0 | 0 | 0 | 103 | A132 T136 | A132-V134 PolarHBondContact O-N 2.92Å; V134-T136 HydrophobicContact CG1-CG2 4.35Å; V134-T136 PolarHBondContact O-N 3.23Å | ||
| 135 | Q | 34.1 | Very low | 46.1 | Very low | 175 Ų | 175 | 117.8 Ų | 117.8 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -58.2 | 88.2 | 167.4 | -145.9 | 165.3 | -5.9 | 0 | 0 | 104.5 | A133 D137 | A133-Q135 PolarHBondContact O-N 3.19Å; Q135-D137 PolarHBondContact O-N 2.86Å | ||
| 136 | T | 42.7 | Very low | 48.6 | Very low | 114 Ų | 114 | 115.3 Ų | 115.3 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | trans | -66.6 | 90 | 162.7 | 48.8 | 0 | 0 | 0 | 0 | 102.9 | V134 L138 | V134-T136 HydrophobicContact CG1-CG2 4.35Å; V134-T136 PolarHBondContact O-N 3.23Å; T136-L138 PolarHBondContact O-N 3.34Å | ||
| 137 | D | 44.9 | Very low | 51.2 | Low | 130 Ų | 130 | 113.8 Ų | 113.8 | 70% | 0.695 | 65% | 0.652 | S | S | * | * | trans | -42.6 | 116.3 | 157.6 | -99.4 | -23.1 | 0 | 0 | 0 | 104.6 | Q135 F139 | Q135-D137 PolarHBondContact O-N 2.86Å; D137-F139 PolarHBondContact O-N 3.41Å | ||
| 138 | L | 45 | Very low | 53.9 | Low | 161 Ų | 161 | 115.1 Ų | 115.1 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | trans | -60.6 | 87.3 | 178.1 | -167 | 82.4 | 0 | 0 | 0 | 104.6 | T136 D140 | T136-L138 PolarHBondContact O-N 3.34Å; L138-D140 PolarHBondContact O-N 3.19Å | ||
| 139 | F | 46.2 | Very low | 56.6 | Low | 157 Ų | 157 | 115.5 Ų | 115.5 | 69% | 0.689 | 63% | 0.634 | S | S | * | * | trans | -62 | 98.9 | 173.5 | -112 | -88 | 0 | 0 | 0 | 103.9 | D137 G141 | D137-F139 PolarHBondContact O-N 3.41Å; F139-G141 PolarHBondContact O-N 2.87Å | ||
| 140 | D | 52.9 | Low | 59.1 | Low | 98 Ų | 98 | 115.3 Ų | 115.3 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | trans | -73.7 | 66.5 | 171.7 | -159.5 | 0.3 | 0 | 0 | 0 | 107 | L138 T142 T143 | L138-D140 PolarHBondContact O-N 3.19Å; D140-T142 PolarHBondContact O-N 3.49Å; D140-T142 WeakPolarHBondContact OD1-CG2 3.11Å; D140-T142 PolarHBondContact OD1-OG1 3.41Å; D140-T143 PolarHBondContact O-N 3.42Å; D140-T143 PolarHBondContact O-OG1 2.97Å; D140-T143 VanDerWaalsContact O-OG1 3.1Å | ||
| 141 | G | 55.5 | Low | 61.8 | Low | 26 Ų | 26 | 116.8 Ų | 116.8 | 27% | 0.268 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.3 | -2.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F139 T143 V145 | F139-G141 PolarHBondContact O-N 2.87Å; G141-T143 VanDerWaalsContact C-N 3.33Å; G141-V145 VanDerWaalsContact O-CB 3.25Å; G141-V145 WeakPolarHBondContact O-CB 3.42Å; G141-V145 WeakPolarHBondContact O-CG2 3.49Å; G141-V145 PolarHBondContact O-N 2.89Å |
| 142 | T | 73.1 | Confident | 64.5 | Low | 81 Ų | 81 | 113.6 Ų | 113.6 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.2 | -45.4 | 170.1 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | D140 V145 D146 | D140-T142 PolarHBondContact O-N 3.49Å; D140-T142 WeakPolarHBondContact OD1-CG2 3.11Å; D140-T142 PolarHBondContact OD1-OG1 3.41Å; T142-V145 PolarHBondContact O-N 2.99Å; T142-D146 WeakPolarHBondContact O-CB 3.4Å; T142-D146 PolarHBondContact O-N 2.8Å |
| 143 | T | 77.6 | Confident | 67 | Low | 84 Ų | 84 | 116.8 Ų | 116.8 | 52% | 0.515 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.4 | -42.9 | -177.9 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | D140 G141 D146 M147 | D140-T143 PolarHBondContact O-N 3.42Å; D140-T143 PolarHBondContact O-OG1 2.97Å; D140-T143 VanDerWaalsContact O-OG1 3.1Å; G141-T143 VanDerWaalsContact C-N 3.33Å; T143-D146 PolarHBondContact O-N 2.94Å; T143-M147 WeakPolarHBondContact O-CG 3.34Å; T143-M147 PolarHBondContact O-N 3.3Å |
| 144 | E | 77.2 | Confident | 69.3 | Low | 100 Ų | 100 | 117.6 Ų | 117.6 | 47% | 0.467 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.2 | -42.9 | 176.5 | -67.8 | -173 | 170.5 | 0 | 0 | 111.5 | D146 M147 L148 | E144-D146 VanDerWaalsContact C-N 3.33Å; E144-D146 PolarHBondContact O-N 2.91Å; E144-M147 PolarHBondContact O-N 3.4Å; E144-L148 WeakPolarHBondContact O-CB 3.34Å; E144-L148 VanDerWaalsContact O-CG 3.28Å; E144-L148 WeakPolarHBondContact O-CG 3.43Å; E144-L148 PolarHBondContact O-N 2.81Å |
| 145 | V | 79 | Confident | 71.7 | Confident | 70 Ų | 70 | 116.9 Ų | 116.9 | 42% | 0.424 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.7 | -41.2 | 176.2 | 168.6 | 0 | 0 | 0 | 0 | 111 | G141 T142 L148 K149 | G141-V145 VanDerWaalsContact O-CB 3.25Å; G141-V145 WeakPolarHBondContact O-CB 3.42Å; G141-V145 WeakPolarHBondContact O-CG2 3.49Å; G141-V145 PolarHBondContact O-N 2.89Å; T142-V145 PolarHBondContact O-N 2.99Å; V145-L148 PolarHBondContact O-N 3.24Å; V145-K149 HydrophobicContact CG1-CD 4.27Å; V145-K149 WeakPolarHBondContact O-CB 3.23Å; V145-K149 VanDerWaalsContact O-CG 3.32Å; V145-K149 WeakPolarHBondContact O-CG 3.2Å; V145-K149 PolarHBondContact O-N 3.29Å |
| 146 | D | 82.4 | Confident | 74.5 | Confident | 82 Ų | 82 | 114.4 Ų | 114.4 | 44% | 0.439 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.6 | -36.3 | 178.2 | -75.4 | -15.1 | 0 | 0 | 0 | 112.6 | T142 T143 E144 K149 R150 | T142-D146 WeakPolarHBondContact O-CB 3.4Å; T142-D146 PolarHBondContact O-N 2.8Å; T143-D146 PolarHBondContact O-N 2.94Å; E144-D146 VanDerWaalsContact C-N 3.33Å; E144-D146 PolarHBondContact O-N 2.91Å; D146-K149 PolarHBondContact O-N 2.87Å; D146-K149 IonicContact OD1-NZ 2.73Å; D146-R150 WeakPolarHBondContact O-CG 3.34Å; D146-R150 PolarHBondContact O-N 3.38Å |
| 147 | M | 84.3 | Confident | 76.8 | Confident | 135 Ų | 135 | 113.7 Ų | 113.7 | 67% | 0.665 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.2 | -44.6 | 170.3 | -75 | -148.6 | -60.6 | 0 | 0 | 111.8 | T143 E144 K149 R150 R151 | T143-M147 WeakPolarHBondContact O-CG 3.34Å; T143-M147 PolarHBondContact O-N 3.3Å; E144-M147 PolarHBondContact O-N 3.4Å; M147-K149 PolarHBondContact O-N 3.11Å; M147-R150 PolarHBondContact O-N 2.9Å; M147-R151 WeakPolarHBondContact O-CB 3.48Å; M147-R151 PolarHBondContact O-N 3.47Å |
| 148 | L | 86.8 | Confident | 78.9 | Confident | 123 Ų | 123 | 110.1 Ų | 110.1 | 64% | 0.644 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.7 | -40.1 | 177.7 | -73.8 | 170.8 | 0 | 0 | 0 | 111.8 | E144 V145 R151 L152 | E144-L148 WeakPolarHBondContact O-CB 3.34Å; E144-L148 VanDerWaalsContact O-CG 3.28Å; E144-L148 WeakPolarHBondContact O-CG 3.43Å; E144-L148 PolarHBondContact O-N 2.81Å; V145-L148 PolarHBondContact O-N 3.24Å; L148-R151 PolarHBondContact O-N 2.84Å; L148-L152 WeakPolarHBondContact O-CB 3.32Å; L148-L152 PolarHBondContact O-N 3.38Å |
| 149 | K | 88 | Confident | 81.1 | Confident | 110 Ų | 110 | 107.3 Ų | 107.3 | 48% | 0.478 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 173.3 | -76.6 | 173.1 | -174.1 | 164.4 | 0 | 111.6 | V145 D146 M147 R151 L152 F153 | V145-K149 HydrophobicContact CG1-CD 4.27Å; V145-K149 WeakPolarHBondContact O-CB 3.23Å; V145-K149 VanDerWaalsContact O-CG 3.32Å; V145-K149 WeakPolarHBondContact O-CG 3.2Å; V145-K149 PolarHBondContact O-N 3.29Å; D146-K149 PolarHBondContact O-N 2.87Å; D146-K149 IonicContact OD1-NZ 2.73Å; M147-K149 PolarHBondContact O-N 3.11Å; K149-R151 VanDerWaalsContact C-N 3.28Å; K149-R151 PolarHBondContact O-N 2.93Å; K149-L152 WeakPolarHBondContact O-CB 3.36Å; K149-L152 PolarHBondContact O-N 2.88Å; K149-F153 WeakPolarHBondContact O-CD2 3.33Å; K149-F153 PolarHBondContact O-N 2.92Å |
| 150 | R | 88.3 | Confident | 83.2 | Confident | 186 Ų | 186 | 104.4 Ų | 104.4 | 70% | 0.702 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.5 | -44.1 | 175.6 | -76.2 | -177.3 | -172.4 | 179.2 | 4.3 | 111.3 | D146 M147 L152 F153 E154 | D146-R150 WeakPolarHBondContact O-CG 3.34Å; D146-R150 PolarHBondContact O-N 3.38Å; M147-R150 PolarHBondContact O-N 2.9Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.15Å; R150-F153 PolarHBondContact O-N 3.32Å; R150-E154 PolarHBondContact O-N 3.4Å |
| 151 | R | 90.2 | Very high | 85 | Confident | 147 Ų | 147 | 104.3 Ų | 104.3 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.2 | -36.2 | 179.7 | -166.2 | 58.2 | 173.2 | -176.4 | 0.1 | 112.8 | M147 L148 K149 E154 L155 | M147-R151 WeakPolarHBondContact O-CB 3.48Å; M147-R151 PolarHBondContact O-N 3.47Å; L148-R151 PolarHBondContact O-N 2.84Å; K149-R151 VanDerWaalsContact C-N 3.28Å; K149-R151 PolarHBondContact O-N 2.93Å; R151-E154 WeakPolarHBondContact CD-OE2 3.32Å; R151-E154 IonicContact CZ-OE2 2.69Å; R151-E154 IonicContact NE-OE2 3.68Å; R151-E154 IonicContact NH1-OE2 3.13Å; R151-E154 PolarHBondContact NH1-OE2 2.95Å; R151-E154 PolarHBondContact O-N 3.47Å; R151-L155 HydrophobicContact CG-CD1 4.47Å; R151-L155 WeakPolarHBondContact O-CB 3.41Å; R151-L155 WeakPolarHBondContact O-CG 3.38Å; R151-L155 PolarHBondContact O-N 2.88Å |
| 152 | L | 91.1 | Very high | 86.7 | Confident | 115 Ų | 115 | 109.1 Ų | 109.1 | 60% | 0.602 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.8 | -43 | 173.6 | -172.5 | 71.1 | 0 | 0 | 0 | 111.2 | L148 K149 R150 L155 Q156 | L148-L152 WeakPolarHBondContact O-CB 3.32Å; L148-L152 PolarHBondContact O-N 3.38Å; K149-L152 WeakPolarHBondContact O-CB 3.36Å; K149-L152 PolarHBondContact O-N 2.88Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.15Å; L152-L155 PolarHBondContact O-N 3.31Å; L152-Q156 WeakPolarHBondContact O-CB 3.38Å; L152-Q156 PolarHBondContact O-N 2.92Å |
| 153 | F | 88.6 | Confident | 87.4 | Confident | 153 Ų | 153 | 114.3 Ų | 114.3 | 67% | 0.671 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 175.1 | -78.6 | -66 | 0 | 0 | 0 | 112.7 | K149 R150 Q156 L157 | K149-F153 WeakPolarHBondContact O-CD2 3.33Å; K149-F153 PolarHBondContact O-N 2.92Å; R150-F153 PolarHBondContact O-N 3.32Å; F153-Q156 PolarHBondContact O-N 3.41Å; F153-L157 PolarHBondContact O-N 2.97Å |
| 154 | E | 88.7 | Confident | 87.9 | Confident | 105 Ų | 105 | 116 Ų | 116 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.3 | -43.4 | 175.5 | -72.9 | 175.2 | -178.8 | 0 | 0 | 112.2 | R150 R151 L157 A158 | R150-E154 PolarHBondContact O-N 3.4Å; R151-E154 WeakPolarHBondContact CD-OE2 3.32Å; R151-E154 IonicContact CZ-OE2 2.69Å; R151-E154 IonicContact NE-OE2 3.68Å; R151-E154 IonicContact NH1-OE2 3.13Å; R151-E154 PolarHBondContact NH1-OE2 2.95Å; R151-E154 PolarHBondContact O-N 3.47Å; E154-L157 PolarHBondContact O-N 3.33Å; E154-A158 PolarHBondContact O-N 2.9Å |
| 155 | L | 89.8 | Confident | 88.1 | Confident | 102 Ų | 102 | 116 Ų | 116 | 53% | 0.534 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -42 | 177.1 | -77.4 | 169.3 | 0 | 0 | 0 | 111.8 | R151 L152 L157 A158 L159 | R151-L155 HydrophobicContact CG-CD1 4.47Å; R151-L155 WeakPolarHBondContact O-CB 3.41Å; R151-L155 WeakPolarHBondContact O-CG 3.38Å; R151-L155 PolarHBondContact O-N 2.88Å; L152-L155 PolarHBondContact O-N 3.31Å; L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 PolarHBondContact O-N 2.9Å; L155-A158 PolarHBondContact O-N 3.46Å; L155-L159 WeakPolarHBondContact O-CB 3.34Å; L155-L159 PolarHBondContact O-N 2.95Å |
| 156 | Q | 91.5 | Very high | 88.3 | Confident | 124 Ų | 124 | 115.4 Ų | 115.4 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.3 | -42.9 | 177.4 | -168.1 | 68.7 | 26.4 | 0 | 0 | 111.4 | L152 F153 L159 D160 | L152-Q156 WeakPolarHBondContact O-CB 3.38Å; L152-Q156 PolarHBondContact O-N 2.92Å; F153-Q156 PolarHBondContact O-N 3.41Å; Q156-L159 PolarHBondContact O-N 2.89Å; Q156-D160 PolarHBondContact O-N 2.9Å; Q156-D160 VanDerWaalsContact O-N 3.1Å |
| 157 | L | 91.9 | Very high | 88.3 | Confident | 99 Ų | 99 | 118.4 Ų | 118.4 | 52% | 0.518 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65 | -41.7 | 177 | -177.1 | 64.8 | 0 | 0 | 0 | 112 | F153 E154 L155 L159 D160 H161 | F153-L157 PolarHBondContact O-N 2.97Å; E154-L157 PolarHBondContact O-N 3.33Å; L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 PolarHBondContact O-N 2.9Å; L157-L159 VanDerWaalsContact C-N 3.35Å; L157-L159 PolarHBondContact O-N 2.87Å; L157-D160 PolarHBondContact O-N 3.02Å; L157-H161 PolarHBondContact O-N 3.5Å; L157-H161 VanDerWaalsContact O-N 3.08Å |
| 158 | A | 88.4 | Confident | 87.9 | Confident | 55 Ų | 55 | 116.8 Ų | 116.8 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.4 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E154 L155 D160 H161 E162 | E154-A158 PolarHBondContact O-N 2.9Å; L155-A158 PolarHBondContact O-N 3.46Å; A158-D160 VanDerWaalsContact C-N 3.34Å; A158-H161 PolarHBondContact O-N 3.34Å; A158-E162 PolarHBondContact O-N 2.64Å |
| 159 | L | 91 | Very high | 87.6 | Confident | 101 Ų | 101 | 119.9 Ų | 119.9 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.1 | -37.8 | 178 | -160.8 | 155.1 | 0 | 0 | 0 | 111.3 | L155 Q156 L157 E162 R163 | L155-L159 WeakPolarHBondContact O-CB 3.34Å; L155-L159 PolarHBondContact O-N 2.95Å; Q156-L159 PolarHBondContact O-N 2.89Å; L157-L159 VanDerWaalsContact C-N 3.35Å; L157-L159 PolarHBondContact O-N 2.87Å; L159-E162 PolarHBondContact O-N 3.34Å; L159-R163 PolarHBondContact O-N 3.36Å |
| 160 | D | 90.9 | Very high | 87.1 | Confident | 96 Ų | 96 | 120.8 Ų | 120.8 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.1 | -41.8 | 175.4 | -160.9 | 47.8 | 0 | 0 | 0 | 112.1 | Q156 L157 A158 E162 R163 Q164 | Q156-D160 PolarHBondContact O-N 2.9Å; Q156-D160 VanDerWaalsContact O-N 3.1Å; L157-D160 PolarHBondContact O-N 3.02Å; A158-D160 VanDerWaalsContact C-N 3.34Å; D160-E162 PolarHBondContact O-N 2.96Å; D160-R163 WeakPolarHBondContact O-CB 3.47Å; D160-R163 PolarHBondContact O-N 3.41Å; D160-Q164 PolarHBondContact O-N 3.47Å |
| 161 | H | 91.2 | Very high | 86.3 | Confident | 96 Ų | 96 | 115.2 Ų | 115.2 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 172.5 | -68.3 | 160.1 | 0 | 0 | 0 | 112.7 | L157 A158 R163 Q164 L165 | L157-H161 PolarHBondContact O-N 3.5Å; L157-H161 VanDerWaalsContact O-N 3.08Å; A158-H161 PolarHBondContact O-N 3.34Å; H161-R163 VanDerWaalsContact C-N 3.32Å; H161-R163 PolarHBondContact O-N 3.32Å; H161-Q164 PolarHBondContact O-N 3.46Å; H161-L165 WeakPolarHBondContact O-CB 3.33Å; H161-L165 WeakPolarHBondContact O-CG 3.41Å; H161-L165 PolarHBondContact O-N 3Å |
| 162 | E | 91 | Very high | 85.1 | Confident | 128 Ų | 128 | 113.4 Ų | 113.4 | 60% | 0.598 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 175.9 | -177.1 | 176.5 | -164 | 0 | 0 | 111.7 | A158 L159 D160 L165 S166 | A158-E162 PolarHBondContact O-N 2.64Å; L159-E162 PolarHBondContact O-N 3.34Å; D160-E162 PolarHBondContact O-N 2.96Å; E162-L165 PolarHBondContact O-N 3.37Å; E162-S166 VanDerWaalsContact O-CB 3.32Å; E162-S166 WeakPolarHBondContact O-CB 3.32Å; E162-S166 PolarHBondContact O-N 3.19Å; E162-S166 PolarHBondContact O-OG 2.93Å |
| 163 | R | 87.9 | Confident | 83.7 | Confident | 189 Ų | 189 | 115.2 Ų | 115.2 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 175.4 | -166.1 | 179.4 | -146.7 | -134.9 | 1.2 | 111.5 | L159 D160 H161 S166 Y167 | L159-R163 PolarHBondContact O-N 3.36Å; D160-R163 WeakPolarHBondContact O-CB 3.47Å; D160-R163 PolarHBondContact O-N 3.41Å; H161-R163 VanDerWaalsContact C-N 3.32Å; H161-R163 PolarHBondContact O-N 3.32Å; R163-S166 PolarHBondContact O-N 3.36Å; R163-Y167 PolarHBondContact O-N 3.19Å |
| 164 | Q | 87 | Confident | 82.2 | Confident | 121 Ų | 121 | 110.6 Ų | 110.6 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.8 | -42.5 | 177.6 | -168.8 | 179.1 | 16.3 | 0 | 0 | 112.1 | D160 H161 S166 Y167 M168 | D160-Q164 PolarHBondContact O-N 3.47Å; H161-Q164 PolarHBondContact O-N 3.46Å; Q164-S166 VanDerWaalsContact C-N 3.34Å; Q164-Y167 PolarHBondContact O-N 3Å; Q164-M168 WeakPolarHBondContact O-CG 3.46Å; Q164-M168 PolarHBondContact O-N 2.72Å |
| 165 | L | 82.5 | Confident | 80.7 | Confident | 99 Ų | 99 | 112.3 Ų | 112.3 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | 176.1 | -74.4 | 170.5 | 0 | 0 | 0 | 112.1 | H161 E162 M168 R169 | H161-L165 WeakPolarHBondContact O-CB 3.33Å; H161-L165 WeakPolarHBondContact O-CG 3.41Å; H161-L165 PolarHBondContact O-N 3Å; E162-L165 PolarHBondContact O-N 3.37Å; L165-M168 HydrophobicContact CD2-CE 3.82Å; L165-M168 PolarHBondContact O-N 3.06Å; L165-R169 VanDerWaalsContact O-CB 3.32Å; L165-R169 WeakPolarHBondContact O-CB 3.4Å; L165-R169 PolarHBondContact O-N 2.98Å |
| 166 | S | 82.2 | Confident | 79.2 | Confident | 57 Ų | 57 | 113.3 Ų | 113.3 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | E162 R163 Q164 M168 R169 E170 | E162-S166 VanDerWaalsContact O-CB 3.32Å; E162-S166 WeakPolarHBondContact O-CB 3.32Å; E162-S166 PolarHBondContact O-N 3.19Å; E162-S166 PolarHBondContact O-OG 2.93Å; R163-S166 PolarHBondContact O-N 3.36Å; Q164-S166 VanDerWaalsContact C-N 3.34Å; S166-M168 PolarHBondContact O-N 3.39Å; S166-R169 PolarHBondContact O-N 2.86Å; S166-E170 WeakPolarHBondContact O-CB 3.49Å; S166-E170 PolarHBondContact O-N 3.2Å |
| 167 | Y | 82.8 | Confident | 77.5 | Confident | 146 Ų | 146 | 110.9 Ų | 110.9 | 57% | 0.573 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58 | -48.5 | 174.5 | -178.9 | -91.2 | 0 | 0 | 0 | 112.1 | R163 Q164 R169 E170 E171 | R163-Y167 PolarHBondContact O-N 3.19Å; Q164-Y167 PolarHBondContact O-N 3Å; Y167-R169 VanDerWaalsContact C-N 3.3Å; Y167-R169 PolarHBondContact O-N 3.15Å; Y167-E170 PolarHBondContact O-N 2.82Å; Y167-E171 WeakPolarHBondContact CE1-OE2 3.45Å; Y167-E171 WeakPolarHBondContact O-CB 3.36Å; Y167-E171 PolarHBondContact O-N 3.38Å |
| 168 | M | 77 | Confident | 75.7 | Confident | 101 Ų | 101 | 111.4 Ų | 111.4 | 50% | 0.498 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 177.7 | -69.7 | -161.8 | -46.4 | 0 | 0 | 112.7 | Q164 L165 S166 H172 | Q164-M168 WeakPolarHBondContact O-CG 3.46Å; Q164-M168 PolarHBondContact O-N 2.72Å; L165-M168 HydrophobicContact CD2-CE 3.82Å; L165-M168 PolarHBondContact O-N 3.06Å; S166-M168 PolarHBondContact O-N 3.39Å; M168-H172 WeakPolarHBondContact O-CB 3.48Å; M168-H172 PolarHBondContact O-N 3Å |
| 169 | R | 79 | Confident | 74.1 | Confident | 187 Ų | 187 | 114.8 Ų | 114.8 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.2 | -45 | 178.3 | -172 | -173.5 | -53.5 | -154.8 | 4 | 110.9 | L165 S166 Y167 H172 Y173 | L165-R169 VanDerWaalsContact O-CB 3.32Å; L165-R169 WeakPolarHBondContact O-CB 3.4Å; L165-R169 PolarHBondContact O-N 2.98Å; S166-R169 PolarHBondContact O-N 2.86Å; Y167-R169 VanDerWaalsContact C-N 3.3Å; Y167-R169 PolarHBondContact O-N 3.15Å; R169-H172 PolarHBondContact O-N 3.32Å; R169-Y173 WeakPolarHBondContact O-CB 3.38Å; R169-Y173 PolarHBondContact O-N 3.01Å |
| 170 | E | 77.3 | Confident | 72.3 | Confident | 130 Ų | 130 | 113.7 Ų | 113.7 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.5 | -47.8 | 177.8 | -170.1 | 166.1 | -153.8 | 0 | 0 | 110.5 | S166 Y167 H172 Y173 C174 | S166-E170 WeakPolarHBondContact O-CB 3.49Å; S166-E170 PolarHBondContact O-N 3.2Å; Y167-E170 PolarHBondContact O-N 2.82Å; E170-H172 VanDerWaalsContact C-N 3.35Å; E170-H172 PolarHBondContact O-N 2.97Å; E170-Y173 PolarHBondContact O-N 3.28Å; E170-Y173 VanDerWaalsContact O-N 3.11Å; E170-C174 WeakPolarHBondContact O-CB 3.43Å; E170-C174 PolarHBondContact O-N 2.99Å; E170-C174 PolarHBondContact O-SG 3.4Å |
| 171 | E | 72.7 | Confident | 70.3 | Confident | 68 Ų | 68 | 114.9 Ų | 114.9 | 32% | 0.318 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 175.9 | -171.2 | 178.7 | -167.3 | 0 | 0 | 112 | Y167 Y173 C174 R175 | Y167-E171 WeakPolarHBondContact CE1-OE2 3.45Å; Y167-E171 WeakPolarHBondContact O-CB 3.36Å; Y167-E171 PolarHBondContact O-N 3.38Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 3.32Å; E171-C174 PolarHBondContact O-N 3.45Å; E171-R175 WeakPolarHBondContact O-CB 3.39Å; E171-R175 WeakPolarHBondContact O-CG 3.49Å; E171-R175 PolarHBondContact O-N 3Å; E171-R175 IonicContact OE1-CZ 3.67Å; E171-R175 IonicContact OE1-NE 3.52Å; E171-R175 IonicContact OE1-NH2 3.48Å; E171-R175 PolarHBondContact OE1-NH2 2.92Å; E171-R175 IonicContact OE2-NH2 2.64Å |
| 172 | H | 64.6 | Low | 68.4 | Low | 109 Ų | 109 | 117.4 Ų | 117.4 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.2 | -30.7 | 177.1 | -170.2 | -110.1 | 0 | 0 | 0 | 112.5 | M168 R169 E170 K176 | M168-H172 WeakPolarHBondContact O-CB 3.48Å; M168-H172 PolarHBondContact O-N 3Å; R169-H172 PolarHBondContact O-N 3.32Å; E170-H172 VanDerWaalsContact C-N 3.35Å; E170-H172 PolarHBondContact O-N 2.97Å; H172-K176 WeakPolarHBondContact CE1-CE 3.49Å; H172-K176 PolarHBondContact CE1-NZ 3.34Å; H172-K176 VanDerWaalsContact CE1-NZ 3.3Å; H172-K176 WeakPolarHBondContact O-CB 3.42Å; H172-K176 VanDerWaalsContact O-CG 3.28Å; H172-K176 WeakPolarHBondContact O-CG 3.39Å; H172-K176 PolarHBondContact O-N 3.43Å; H172-K176 VanDerWaalsContact O-N 3.08Å |
| 173 | Y | 61.3 | Low | 66.6 | Low | 153 Ų | 153 | 113.6 Ų | 113.6 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.9 | -45.3 | 174.6 | -169.9 | -103.4 | 0 | 0 | 0 | 111.2 | R169 E170 E171 K176 L177 | R169-Y173 WeakPolarHBondContact O-CB 3.38Å; R169-Y173 PolarHBondContact O-N 3.01Å; E170-Y173 PolarHBondContact O-N 3.28Å; E170-Y173 VanDerWaalsContact O-N 3.11Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 3.32Å; Y173-K176 PolarHBondContact O-N 3.02Å; Y173-L177 HydrophobicContact CD1-CD1 3.59Å; Y173-L177 HydrophobicContact CD1-CG 4.44Å; Y173-L177 HydrophobicContact CE1-CD1 3.3Å; Y173-L177 HydrophobicContact CE1-CG 4.17Å; Y173-L177 HydrophobicContact CG-CD1 4.49Å; Y173-L177 PolarHBondContact O-N 2.99Å |
| 174 | C | 56.9 | Low | 64.8 | Low | 57 Ų | 57 | 107.7 Ų | 107.7 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 173.5 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | E170 E171 K176 L177 E178 | E170-C174 WeakPolarHBondContact O-CB 3.43Å; E170-C174 PolarHBondContact O-N 2.99Å; E170-C174 PolarHBondContact O-SG 3.4Å; E171-C174 PolarHBondContact O-N 3.45Å; C174-K176 VanDerWaalsContact C-N 3.3Å; C174-K176 PolarHBondContact O-N 3.21Å; C174-L177 PolarHBondContact O-N 3.25Å; C174-L177 VanDerWaalsContact O-N 3.16Å; C174-E178 WeakPolarHBondContact O-CG 3.43Å; C174-E178 PolarHBondContact O-N 3.4Å |
| 175 | R | 57.5 | Low | 63.1 | Low | 141 Ų | 141 | 107 Ų | 107 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.4 | -36.8 | 176.5 | -72.8 | -172.4 | -160.1 | 168.4 | 3.6 | 112.9 | E171 L179 | E171-R175 WeakPolarHBondContact O-CB 3.39Å; E171-R175 WeakPolarHBondContact O-CG 3.49Å; E171-R175 PolarHBondContact O-N 3Å; E171-R175 IonicContact OE1-CZ 3.67Å; E171-R175 IonicContact OE1-NE 3.52Å; E171-R175 IonicContact OE1-NH2 3.48Å; E171-R175 PolarHBondContact OE1-NH2 2.92Å; E171-R175 IonicContact OE2-NH2 2.64Å; R175-L179 WeakPolarHBondContact O-CB 3.31Å; R175-L179 VanDerWaalsContact O-CG 3.32Å; R175-L179 WeakPolarHBondContact O-CG 3.38Å; R175-L179 PolarHBondContact O-N 3.34Å |
| 176 | K | 57.9 | Low | 61.5 | Low | 123 Ų | 123 | 105.6 Ų | 105.6 | 54% | 0.535 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 175.7 | -83.7 | 179.6 | 169.9 | -178.1 | 0 | 112.4 | H172 Y173 C174 S180 | H172-K176 WeakPolarHBondContact CE1-CE 3.49Å; H172-K176 PolarHBondContact CE1-NZ 3.34Å; H172-K176 VanDerWaalsContact CE1-NZ 3.3Å; H172-K176 WeakPolarHBondContact O-CB 3.42Å; H172-K176 VanDerWaalsContact O-CG 3.28Å; H172-K176 WeakPolarHBondContact O-CG 3.39Å; H172-K176 PolarHBondContact O-N 3.43Å; H172-K176 VanDerWaalsContact O-N 3.08Å; Y173-K176 PolarHBondContact O-N 3.02Å; C174-K176 VanDerWaalsContact C-N 3.3Å; C174-K176 PolarHBondContact O-N 3.21Å; K176-S180 WeakPolarHBondContact O-CB 3.37Å; K176-S180 PolarHBondContact O-N 3.5Å |
| 177 | L | 55.7 | Low | 59.8 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 38% | 0.382 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.3 | -43.6 | 174.3 | -80.9 | 166.3 | 0 | 0 | 0 | 111.4 | Y173 C174 S180 H181 | Y173-L177 HydrophobicContact CD1-CD1 3.59Å; Y173-L177 HydrophobicContact CD1-CG 4.44Å; Y173-L177 HydrophobicContact CE1-CD1 3.3Å; Y173-L177 HydrophobicContact CE1-CG 4.17Å; Y173-L177 HydrophobicContact CG-CD1 4.49Å; Y173-L177 PolarHBondContact O-N 2.99Å; C174-L177 PolarHBondContact O-N 3.25Å; C174-L177 VanDerWaalsContact O-N 3.16Å; L177-S180 WeakPolarHBondContact O-CB 3.27Å; L177-S180 PolarHBondContact O-N 3.49Å; L177-S180 VanDerWaalsContact O-N 3.16Å; L177-H181 PolarHBondContact O-CD2 3.01Å; L177-H181 PolarHBondContact O-N 3.15Å |
| 178 | E | 55.6 | Low | 57.8 | Low | 109 Ų | 109 | 109 Ų | 109 | 51% | 0.509 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 175.4 | -73.5 | 173.2 | 179.3 | 0 | 0 | 111.3 | C174 S180 H181 F182 | C174-E178 WeakPolarHBondContact O-CG 3.43Å; C174-E178 PolarHBondContact O-N 3.4Å; E178-S180 VanDerWaalsContact C-N 3.27Å; E178-S180 PolarHBondContact O-N 2.93Å; E178-H181 PolarHBondContact O-N 3.34Å; E178-H181 VanDerWaalsContact O-N 3.08Å; E178-F182 HydrophobicContact CB-CE2 4.48Å; E178-F182 WeakPolarHBondContact O-CD2 3.48Å; E178-F182 PolarHBondContact O-N 3Å |
| 179 | L | 53.9 | Low | 56.1 | Low | 127 Ų | 127 | 109.1 Ų | 109.1 | 67% | 0.665 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61 | -35.6 | 175.4 | -72.4 | 173.1 | 0 | 0 | 0 | 112.5 | R175 G183 | R175-L179 WeakPolarHBondContact O-CB 3.31Å; R175-L179 VanDerWaalsContact O-CG 3.32Å; R175-L179 WeakPolarHBondContact O-CG 3.38Å; R175-L179 PolarHBondContact O-N 3.34Å; L179-G183 PolarHBondContact O-N 3.34Å |
| 180 | S | 53.9 | Low | 54.2 | Low | 78 Ų | 78 | 106.5 Ų | 106.5 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66 | -38.9 | 173.9 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | K176 L177 E178 S184 | K176-S180 WeakPolarHBondContact O-CB 3.37Å; K176-S180 PolarHBondContact O-N 3.5Å; L177-S180 WeakPolarHBondContact O-CB 3.27Å; L177-S180 PolarHBondContact O-N 3.49Å; L177-S180 VanDerWaalsContact O-N 3.16Å; E178-S180 VanDerWaalsContact C-N 3.27Å; E178-S180 PolarHBondContact O-N 2.93Å; S180-S184 WeakPolarHBondContact O-CB 3.47Å; S180-S184 PolarHBondContact O-N 3.13Å; S180-S184 VanDerWaalsContact O-N 3.12Å; S180-S184 PolarHBondContact O-OG 3.49Å |
| 181 | H | 48.7 | Very low | 52 | Low | 120 Ų | 120 | 106.4 Ų | 106.4 | 56% | 0.556 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.6 | -43.9 | 176.5 | -85.2 | -65.8 | 0 | 0 | 0 | 112.5 | L177 E178 S184 L185 | L177-H181 PolarHBondContact O-CD2 3.01Å; L177-H181 PolarHBondContact O-N 3.15Å; E178-H181 PolarHBondContact O-N 3.34Å; E178-H181 VanDerWaalsContact O-N 3.08Å; H181-S184 WeakPolarHBondContact CA-OG 3.46Å; H181-S184 PolarHBondContact O-N 2.99Å; H181-S184 PolarHBondContact O-OG 2.95Å; H181-S184 VanDerWaalsContact O-OG 3.13Å; H181-L185 PolarHBondContact O-N 3.12Å |
| 182 | F | 51.4 | Low | 50.3 | Low | 149 Ų | 149 | 108.2 Ų | 108.2 | 65% | 0.654 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.6 | -37.8 | 175.9 | -73.7 | -68.8 | 0 | 0 | 0 | 112.3 | E178 S184 L185 G186 | E178-F182 HydrophobicContact CB-CE2 4.48Å; E178-F182 WeakPolarHBondContact O-CD2 3.48Å; E178-F182 PolarHBondContact O-N 3Å; F182-S184 VanDerWaalsContact C-N 3.28Å; F182-S184 PolarHBondContact O-N 3.19Å; F182-L185 PolarHBondContact O-N 3.24Å; F182-G186 PolarHBondContact O-N 3.21Å |
| 183 | G | 53.6 | Low | 48.5 | Very low | 48 Ų | 48 | 110.1 Ų | 110.1 | 50% | 0.495 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.5 | -29.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L179 | L179-G183 PolarHBondContact O-N 3.34Å |
| 184 | S | 50.3 | Low | 47 | Very low | 66 Ų | 66 | 108.2 Ų | 108.2 | 46% | 0.462 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -86.3 | -27 | 177.6 | 41.5 | 0 | 0 | 0 | 0 | 113.4 | S180 H181 F182 H187 | S180-S184 WeakPolarHBondContact O-CB 3.47Å; S180-S184 PolarHBondContact O-N 3.13Å; S180-S184 VanDerWaalsContact O-N 3.12Å; S180-S184 PolarHBondContact O-OG 3.49Å; H181-S184 WeakPolarHBondContact CA-OG 3.46Å; H181-S184 PolarHBondContact O-N 2.99Å; H181-S184 PolarHBondContact O-OG 2.95Å; H181-S184 VanDerWaalsContact O-OG 3.13Å; F182-S184 VanDerWaalsContact C-N 3.28Å; F182-S184 PolarHBondContact O-N 3.19Å; S184-H187 PolarHBondContact O-N 2.9Å |
| 185 | L | 49.8 | Very low | 46.1 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 55% | 0.55 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.5 | -31 | 172.2 | -81.9 | 159.7 | 0 | 0 | 0 | 113.3 | H181 F182 H187 I188 | H181-L185 PolarHBondContact O-N 3.12Å; F182-L185 PolarHBondContact O-N 3.24Å; L185-H187 PolarHBondContact O-N 2.9Å; L185-H187 VanDerWaalsContact O-N 3.11Å; L185-I188 HydrophobicContact CD2-CD1 3.79Å; L185-I188 PolarHBondContact O-N 3.42Å |
| 186 | G | 49.7 | Very low | 44.7 | Very low | 70 Ų | 70 | 115.3 Ų | 115.3 | 72% | 0.722 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -12.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F182 | F182-G186 PolarHBondContact O-N 3.21Š|
| 187 | H | 45.4 | Very low | 43.7 | Very low | 163 Ų | 163 | 115.3 Ų | 115.3 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 5 | 178.7 | -90 | -59.2 | 0 | 0 | 0 | 114.5 | S184 L185 P189 | S184-H187 PolarHBondContact O-N 2.9Å; L185-H187 PolarHBondContact O-N 2.9Å; L185-H187 VanDerWaalsContact O-N 3.11Å; H187-P189 WeakPolarHBondContact O-CD 3.4Å |
| 188 | I | 41.3 | Very low | 42.6 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 57% | 0.569 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -76.9 | 108.3 | 164.7 | -54.3 | -177.4 | 0 | 0 | 0 | 106 | L185 T190 | L185-I188 HydrophobicContact CD2-CD1 3.79Å; L185-I188 PolarHBondContact O-N 3.42Å; I188-T190 PolarHBondContact O-N 3.23Å; I188-T190 VanDerWaalsContact O-N 3.08Å |
| 189 | P | 42 | Very low | 41.2 | Very low | 104 Ų | 104 | 116 Ų | 116 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | trans | -56.4 | 123.6 | 173 | 24.2 | -31.8 | 0 | 0 | 0 | 106.9 | H187 V191 | H187-P189 WeakPolarHBondContact O-CD 3.4Å; P189-V191 PolarHBondContact O-N 3.04Å | ||
| 190 | T | 37.9 | Very low | 40.2 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 81% | 0.81 | 69% | 0.686 | S | S | * | * | trans | -49.8 | 107.2 | 168 | 36 | 0 | 0 | 0 | 0 | 107 | I188 S192 | I188-T190 PolarHBondContact O-N 3.23Å; I188-T190 VanDerWaalsContact O-N 3.08Å; T190-S192 PolarHBondContact O-N 3.47Å | ||
| 191 | V | 32.3 | Very low | 39.5 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -67.7 | 91.5 | 166.6 | -177.3 | 0 | 0 | 0 | 0 | 103.9 | P189 M193 | P189-V191 PolarHBondContact O-N 3.04Å; V191-M193 VanDerWaalsContact C-N 3.31Å; V191-M193 PolarHBondContact O-N 2.88Å | ||
| 192 | S | 37 | Very low | 38.6 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | trans | -59.1 | 98.9 | 174.9 | -168.1 | 0 | 0 | 0 | 0 | 107.1 | T190 I194 | T190-S192 PolarHBondContact O-N 3.47Å; S192-I194 PolarHBondContact O-N 3.01Å | ||
| 193 | M | 25.9 | Very low | 37.5 | Very low | 150 Ų | 150 | 122.3 Ų | 122.3 | 74% | 0.739 | 72% | 0.722 | S | S | * | * | trans | -72.1 | 115.7 | 168.7 | -83.2 | -179.5 | 36.4 | 0 | 0 | 107.4 | V191 | V191-M193 VanDerWaalsContact C-N 3.31Å; V191-M193 PolarHBondContact O-N 2.88Å | ||
| 194 | I | 30.6 | Very low | 36.5 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | trans | 81.4 | 114.9 | 154.3 | -50.7 | 153.3 | 0 | 0 | 0 | 115 | S192 F196 | S192-I194 PolarHBondContact O-N 3.01Å; I194-F196 HydrophobicContact CG2-CD2 4.28Å | ||
| 195 | D | 37.7 | Very low | 35.3 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | trans | -146.1 | 101.6 | 137.4 | -91 | -33.8 | 0 | 0 | 0 | 108.4 | ||||
| 196 | F | 28.2 | Very low | 34.4 | Very low | 183 Ų | 183 | 133.8 Ų | 133.8 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | trans | -76.9 | 138 | 168.8 | -87.7 | -88.8 | 0 | 0 | 0 | 109.4 | I194 V198 | I194-F196 HydrophobicContact CG2-CD2 4.28Å; F196-V198 PolarHBondContact O-N 3.11Å; F196-V198 VanDerWaalsContact O-N 3.17Å | ||
| 197 | P | 37.1 | Very low | 33.4 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -78.2 | 106.6 | -171.2 | 30.1 | -33.1 | 0 | 0 | 0 | 111.2 | G199 | P197-G199 PolarHBondContact O-N 2.82Š| ||
| 198 | V | 33.3 | Very low | 32.6 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -81.4 | 103.8 | 164.3 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | F196 | F196-V198 PolarHBondContact O-N 3.11Å; F196-V198 VanDerWaalsContact O-N 3.17Å | ||
| 199 | G | 25.4 | Very low | 32 | Very low | 53 Ų | 53 | 137 Ų | 137 | 55% | 0.546 | 79% | 0.786 | S | S | . | * | trans | -68.9 | 174.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | P197 | P197-G199 PolarHBondContact O-N 2.82Š| ||
| 200 | H | 33.5 | Very low | 31.5 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 89% | 0.889 | 80% | 0.797 | S | S | * | * | -174.2 | 155.3 | 127.2 | -96.7 | 44.5 | 0 | 0 | 0 | 109.7 | |||||
| 201 | P | 38.2 | Very low | 31 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | trans | -100.8 | 133.9 | -146.1 | 35.4 | -29.6 | 0 | 0 | 0 | 113.6 | ||||
| 202 | H | 30.8 | Very low | 30.7 | Very low | 202 Ų | 202 | 143.4 Ų | 143.4 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | trans | -132.9 | 115.7 | 151.9 | -88.5 | -73.2 | 0 | 0 | 0 | 109.9 | A204 | H202-A204 PolarHBondContact O-N 3.16Š| ||
| 203 | A | 28 | Very low | 30.2 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -69 | 121.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 204 | A | 31.6 | Very low | 30.3 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -156.6 | 101.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | H202 H206 | H202-A204 PolarHBondContact O-N 3.16Å; A204-H206 PolarHBondContact O-N 3.28Å | ||
| 205 | M | 24.8 | Very low | 30.4 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -61.3 | 104.5 | 169.2 | -61.9 | -164.2 | -56.5 | 0 | 0 | 109.7 | ||||
| 206 | H | 32.1 | Very low | 29.7 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -135.8 | 88.4 | 152 | -86.4 | -71.6 | 0 | 0 | 0 | 109.1 | A204 | A204-H206 PolarHBondContact O-N 3.28Š| ||
| 207 | N | 28.3 | Very low | 29.6 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -79.9 | 107 | 166.4 | -163.7 | 5.2 | 0 | 0 | 0 | 107.7 | ||||
| 208 | V | 29.1 | Very low | 29 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | trans | -174.3 | 105.4 | 141.1 | -101 | 0 | 0 | 0 | 0 | 111.2 | K210 | V208-K210 PolarHBondContact O-N 3.46Å; V208-K210 VanDerWaalsContact O-N 3.1Å | ||
| 209 | T | 28.1 | Very low | 28.6 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | 19.4 | 80.1 | 125.1 | -38.1 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 210 | K | 30.7 | Very low | 28.7 | Very low | 208 Ų | 208 | 145.7 Ų | 145.7 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | trans | -143.3 | 98.2 | 149.6 | -74.2 | -175.7 | -178.6 | 175.2 | 0 | 104.9 | V208 | V208-K210 PolarHBondContact O-N 3.46Å; V208-K210 VanDerWaalsContact O-N 3.1Å | ||
| 211 | G | 27.6 | Very low | 28.3 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | 98.8 | 94.5 | 66.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | A213 | G211-A213 PolarHBondContact O-N 3.26Š| |||
| 212 | F | 26.8 | Very low | 27.6 | Very low | 224 Ų | 224 | 141.1 Ų | 141.1 | 98% | 0.982 | 83% | 0.826 | S | S | * | * | trans | -43.5 | 110.1 | 161.3 | -80.7 | -102.4 | 0 | 0 | 0 | 109.2 | ||||
| 213 | A | 27.1 | Very low | 27.2 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -143.8 | 111.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | G211 | G211-A213 PolarHBondContact O-N 3.26Š| ||
| 214 | A | 27.1 | Very low | 27 | Very low | 85 Ų | 85 | 143.8 Ų | 143.8 | 70% | 0.702 | 82% | 0.821 | S | S | * | * | trans | -55 | 145.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N216 | A214-N216 PolarHBondContact O-N 3.1Å; A214-N216 VanDerWaalsContact O-N 3.1Å | ||
| 215 | P | 32.8 | Very low | 26.6 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -71.2 | 107 | 175.3 | 28.2 | -30.7 | 0 | 0 | 0 | 109.8 | ||||
| 216 | N | 23.6 | Very low | 26.6 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | -89.7 | 143.8 | 161.8 | -91 | -23.8 | 0 | 0 | 0 | 109.8 | A214 | A214-N216 PolarHBondContact O-N 3.1Å; A214-N216 VanDerWaalsContact O-N 3.1Å | ||
| 217 | S | 25.5 | Very low | 26.3 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 82.8 | 132.7 | 177.1 | 80.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 218 | T | 24.5 | Very low | 26 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | cis | -159.5 | 143 | 26 | -30.9 | 0 | 0 | 0 | 0 | 109.5 | K220 | T218-K220 PolarHBondContact O-N 3.36Š| ||
| 219 | L | 24.3 | Very low | 26 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -49.5 | 127.1 | 167 | -71.6 | 146.7 | 0 | 0 | 0 | 111.7 | ||||
| 220 | K | 27.6 | Very low | 25.8 | Very low | 210 Ų | 210 | 138.7 Ų | 138.7 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -130.9 | 134.1 | 152.5 | -84.6 | -170.6 | 178.7 | 179.3 | 0 | 109.9 | T218 | T218-K220 PolarHBondContact O-N 3.36Š| ||
| 221 | S | 24.9 | Very low | 25.5 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -60.1 | 147.6 | -170.6 | 56.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 222 | A | 23.7 | Very low | 25.4 | Very low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | 45.6 | 93.5 | 132.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 223 | Q | 23.6 | Very low | 25.2 | Very low | 196 Ų | 196 | 126.5 Ų | 126.5 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -129.7 | 116.5 | 132.8 | -80.3 | -166.3 | -39.6 | 0 | 0 | 108.9 | ||||
| 224 | Q | 22.4 | Very low | 25.5 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -68.5 | 126.3 | 163.8 | -67.4 | 173.4 | -26.5 | 0 | 0 | 108.1 | F226 | Q224-F226 HydrophobicContact CB-CE2 4.35Š| ||
| 225 | S | 24.9 | Very low | 25.4 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -130.9 | 99.5 | 154.4 | 60.5 | 0 | 0 | 0 | 0 | 107.5 | L227 | S225-L227 PolarHBondContact O-N 3.43Š| ||
| 226 | F | 24.5 | Very low | 25 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 77% | 0.772 | 79% | 0.792 | S | S | * | * | trans | -61.5 | 117.1 | 164.8 | -69 | -95.3 | 0 | 0 | 0 | 107.6 | Q224 | Q224-F226 HydrophobicContact CB-CE2 4.35Š| ||
| 227 | L | 24.8 | Very low | 25 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -104.4 | 113.6 | 161 | -73.3 | 175.3 | 0 | 0 | 0 | 107.5 | S225 V229 | S225-L227 PolarHBondContact O-N 3.43Å; L227-V229 PolarHBondContact O-N 2.99Å | ||
| 228 | P | 22.8 | Very low | 25.1 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -68 | 115 | 172.5 | 26.3 | -30 | 0 | 0 | 0 | 108.8 | A230 | P228-A230 PolarHBondContact O-N 3.5Š| ||
| 229 | V | 28 | Very low | 25.1 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -78.5 | 83.3 | 170 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | L227 | L227-V229 PolarHBondContact O-N 2.99Š| ||
| 230 | A | 24.5 | Very low | 25.2 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -78.3 | 120.3 | 163 | 0 | 0 | 0 | 0 | 0 | 108.4 | P228 | P228-A230 PolarHBondContact O-N 3.5Š| ||
| 231 | G | 24.3 | Very low | 25 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 57 | 78.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | G233 | G231-G233 VanDerWaalsContact C-N 3.33Å; G231-G233 PolarHBondContact O-N 3.36Å | ||
| 232 | C | 26.2 | Very low | 25.1 | Very low | 105 Ų | 105 | 128 Ų | 128 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 97.9 | 155.4 | -72.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 233 | G | 23 | Very low | 25.3 | Very low | 66 Ų | 66 | 129.1 Ų | 129.1 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | trans | -56.8 | 139.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G231 N235 | G231-G233 VanDerWaalsContact C-N 3.33Å; G231-G233 PolarHBondContact O-N 3.36Å; G233-N235 VanDerWaalsContact C-N 3.34Å; G233-N235 PolarHBondContact O-N 3.08Å | ||
| 234 | L | 32.7 | Very low | 25.5 | Very low | 170 Ų | 170 | 125.5 Ų | 125.5 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -60.3 | 93.5 | 172.1 | -64.9 | 162.2 | 0 | 0 | 0 | 108.4 | ||
| 235 | N | 24.8 | Very low | 25.7 | Very low | 162 Ų | 162 | 124 Ų | 124 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -177.9 | 101.1 | 157.2 | -87 | -23.9 | 0 | 0 | 0 | 110 | G233 | G233-N235 VanDerWaalsContact C-N 3.34Å; G233-N235 PolarHBondContact O-N 3.08Å |
| 236 | G | 24.3 | Very low | 25.9 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 75.1 | 134.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 237 | D | 23.7 | Very low | 26.1 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | 65.8 | 68 | 169.6 | -67.6 | -17 | 0 | 0 | 0 | 117.9 | M239 | D237-M239 PolarHBondContact O-N 3.48Š| ||
| 238 | L | 28.4 | Very low | 26.1 | Very low | 154 Ų | 154 | 117.8 Ų | 117.8 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | -70.9 | 80.1 | 154 | -83.5 | 158.9 | 0 | 0 | 0 | 109.8 | C240 | L238-C240 PolarHBondContact O-N 3.15Š| ||
| 239 | M | 23.6 | Very low | 26.5 | Very low | 164 Ų | 164 | 118.4 Ų | 118.4 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -63.4 | 86.8 | 151.8 | -76.9 | -72.3 | -173 | 0 | 0 | 107.5 | D237 S241 | D237-M239 PolarHBondContact O-N 3.48Å; M239-S241 VanDerWaalsContact C-N 3.27Å; M239-S241 PolarHBondContact O-N 3.14Å | ||
| 240 | C | 25.7 | Very low | 26.4 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -62.6 | 92.2 | 170.2 | -100 | 0 | 0 | 0 | 0 | 108.5 | L238 T242 | L238-C240 PolarHBondContact O-N 3.15Å; C240-T242 PolarHBondContact O-N 3.01Å | ||
| 241 | S | 24.8 | Very low | 26.3 | Very low | 110 Ų | 110 | 119 Ų | 119 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -63 | 102.1 | 165.3 | -63.6 | 0 | 0 | 0 | 0 | 107.4 | M239 P243 | M239-S241 VanDerWaalsContact C-N 3.27Å; M239-S241 PolarHBondContact O-N 3.14Å; S241-P243 VanDerWaalsContact O-N 3.17Å | ||
| 242 | T | 26.6 | Very low | 26.5 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -41.5 | 117.7 | 174.1 | -20.6 | 0 | 0 | 0 | 0 | 109.9 | C240 | C240-T242 PolarHBondContact O-N 3.01Š| ||
| 243 | P | 27.1 | Very low | 26.5 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -65.1 | 135.7 | 176.4 | 24.6 | -30.3 | 0 | 0 | 0 | 108.8 | S241 C245 | S241-P243 VanDerWaalsContact O-N 3.17Å; P243-C245 PolarHBondContact O-N 2.7Å | ||
| 244 | P | 29.1 | Very low | 26.8 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -65.7 | 138.4 | -178.9 | 26.6 | -32 | 0 | 0 | 0 | 109.6 | A246 | P244-A246 PolarHBondContact O-N 3.04Š| ||
| 245 | C | 25.5 | Very low | 26.4 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 93% | 0.926 | 75% | 0.752 | S | S | * | * | trans | -39.3 | 98 | 176.4 | -74.9 | 0 | 0 | 0 | 0 | 112.4 | P243 | P243-C245 PolarHBondContact O-N 2.7Š| ||
| 246 | A | 28.8 | Very low | 26.6 | Very low | 71 Ų | 71 | 122.3 Ų | 122.3 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | trans | -107.4 | 109.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | P244 S248 | P244-A246 PolarHBondContact O-N 3.04Å; A246-S248 PolarHBondContact O-N 3.31Å | ||
| 247 | T | 28.7 | Very low | 26.6 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 92% | 0.92 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -63.9 | 73.4 | 176.4 | -18.5 | 0 | 0 | 0 | 0 | 110 | ||
| 248 | S | 26.7 | Very low | 26.8 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 57% | 0.566 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -174 | 131 | 171.2 | 173.7 | 0 | 0 | 0 | 0 | 109.3 | A246 Q250 | A246-S248 PolarHBondContact O-N 3.31Å; S248-Q250 PolarHBondContact O-N 2.89Å |
| 249 | P | 29.5 | Very low | 26.6 | Very low | 130 Ų | 130 | 121 Ų | 121 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | trans | -65.1 | 102.9 | 177.4 | 27.3 | -32.4 | 0 | 0 | 0 | 109.8 | A251 | P249-A251 PolarHBondContact O-N 3.4Š| ||
| 250 | Q | 25.9 | Very low | 26.8 | Very low | 166 Ų | 166 | 118.7 Ų | 118.7 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -78.9 | 113.2 | 167.8 | -70.5 | -170.6 | -8 | 0 | 0 | 108.5 | S248 V252 | S248-Q250 PolarHBondContact O-N 2.89Å; Q250-V252 PolarHBondContact O-N 3.45Å | ||
| 251 | A | 24 | Very low | 27 | Very low | 59 Ų | 59 | 120.1 Ų | 120.1 | 49% | 0.488 | 73% | 0.729 | S | S | . | * | trans | -68.2 | 117.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | P249 V253 W284 | P249-A251 PolarHBondContact O-N 3.4Å; A251-V253 PolarHBondContact O-N 3.18Å; A251-W284 HydrophobicContact CB-CE3 3.85Å; A251-W284 HydrophobicContact CB-CZ3 3.44Å; A251-W284 VanDerWaalsContact CB-CZ3 3.44Å | ||
| 252 | V | 28.1 | Very low | 27 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 65% | 0.648 | 73% | 0.73 | S | S | * | * | trans | -75.8 | 114 | 171.5 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | Q250 F254 | Q250-V252 PolarHBondContact O-N 3.45Å; V252-F254 HydrophobicContact CB-CE2 4.47Å; V252-F254 HydrophobicContact CG1-CD2 4.44Å; V252-F254 HydrophobicContact CG1-CE2 4.07Å; V252-F254 HydrophobicContact CG1-CZ 4.15Å; V252-F254 PolarHBondContact O-N 2.85Å | ||
| 253 | V | 25 | Very low | 27 | Very low | 100 Ų | 100 | 118.4 Ų | 118.4 | 61% | 0.606 | 72% | 0.722 | S | S | * | * | trans | -82.6 | 106.9 | 175.8 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | A251 N255 | A251-V253 PolarHBondContact O-N 3.18Å; V253-N255 PolarHBondContact O-N 2.86Å | ||
| 254 | F | 29.7 | Very low | 26.9 | Very low | 188 Ų | 188 | 120.6 Ų | 120.6 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | trans | -80.4 | 91.4 | 166.6 | -68.8 | -82.1 | 0 | 0 | 0 | 109.1 | V252 S256 | V252-F254 HydrophobicContact CB-CE2 4.47Å; V252-F254 HydrophobicContact CG1-CD2 4.44Å; V252-F254 HydrophobicContact CG1-CE2 4.07Å; V252-F254 HydrophobicContact CG1-CZ 4.15Å; V252-F254 PolarHBondContact O-N 2.85Å; F254-S256 PolarHBondContact O-N 3.41Å | ||
| 255 | N | 25 | Very low | 26.9 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | -79.4 | 96.3 | 161 | -93.6 | -10.2 | 0 | 0 | 0 | 107.9 | V253 T257 | V253-N255 PolarHBondContact O-N 2.86Å; N255-T257 VanDerWaalsContact C-N 3.3Å; N255-T257 PolarHBondContact O-N 3.44Å; N255-T257 VanDerWaalsContact O-N 3.11Å | ||
| 256 | S | 27.7 | Very low | 27.2 | Very low | 114 Ų | 114 | 122 Ų | 122 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | -81.1 | 81.7 | 167.6 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | F254 M258 | F254-S256 PolarHBondContact O-N 3.41Å; S256-M258 PolarHBondContact O-N 3.11Å; S256-M258 VanDerWaalsContact O-N 3.16Å | ||
| 257 | T | 25 | Very low | 27.2 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -75.6 | 93.7 | 162.9 | -37 | 0 | 0 | 0 | 0 | 107 | N255 | N255-T257 VanDerWaalsContact C-N 3.3Å; N255-T257 PolarHBondContact O-N 3.44Å; N255-T257 VanDerWaalsContact O-N 3.11Å | ||
| 258 | M | 27.4 | Very low | 27.3 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 126.1 | 171.2 | -167.6 | -174.5 | 171.2 | 0 | 0 | 107.9 | S256 I261 | S256-M258 PolarHBondContact O-N 3.11Å; S256-M258 VanDerWaalsContact O-N 3.16Å; M258-I261 HydrophobicContact CE-CD1 3.74Å; M258-I261 HydrophobicContact CE-CG1 4.27Å |
| 259 | P | 25.5 | Very low | 27.5 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 133.9 | 176.1 | 25.2 | -30.9 | 0 | 0 | 0 | 109.1 | I261 | P259-I261 PolarHBondContact O-N 2.96Å; P259-I261 VanDerWaalsContact O-N 3.15Å |
| 260 | P | 26.1 | Very low | 27.7 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -63 | 119.7 | 178.4 | 24.5 | -31.4 | 0 | 0 | 0 | 109.2 | S262 | P260-S262 PolarHBondContact O-N 3.32Š|
| 261 | I | 30.4 | Very low | 27.9 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | trans | -74.6 | 73 | 172.9 | -47.2 | 173.9 | 0 | 0 | 0 | 107.5 | M258 P259 S263 | M258-I261 HydrophobicContact CE-CD1 3.74Å; M258-I261 HydrophobicContact CE-CG1 4.27Å; P259-I261 PolarHBondContact O-N 2.96Å; P259-I261 VanDerWaalsContact O-N 3.15Å; I261-S263 VanDerWaalsContact C-N 3.28Å; I261-S263 PolarHBondContact O-N 2.69Å | ||
| 262 | S | 24.6 | Very low | 28.1 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | -88.3 | 67.6 | 165.1 | -72 | 0 | 0 | 0 | 0 | 108.6 | P260 | P260-S262 PolarHBondContact O-N 3.32Š| ||
| 263 | S | 26.4 | Very low | 28.1 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | trans | -178.1 | 92.3 | 162.8 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | I261 | I261-S263 VanDerWaalsContact C-N 3.28Å; I261-S263 PolarHBondContact O-N 2.69Å | ||
| 264 | L | 26.7 | Very low | 28.3 | Very low | 159 Ų | 159 | 129 Ų | 129 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 157.7 | 106.2 | 143 | -97.4 | 98.4 | 0 | 0 | 0 | 108.1 | ||
| 265 | M | 28.3 | Very low | 28.3 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | trans | 95.3 | 139.7 | 165.3 | -55.3 | -104.2 | 91.5 | 0 | 0 | 118.1 | ||||
| 266 | P | 31.5 | Very low | 28.6 | Very low | 108 Ų | 108 | 122 Ų | 122 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -94.2 | 144.7 | -158.9 | 36.3 | -31.7 | 0 | 0 | 0 | 114.2 | ||||
| 267 | H | 29.2 | Very low | 28.9 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 31.1 | 90.4 | 146.5 | -87.1 | -98.5 | 0 | 0 | 0 | 118.6 | ||
| 268 | H | 31.4 | Very low | 29.1 | Very low | 181 Ų | 181 | 122.9 Ų | 122.9 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | S | Bend | 165.4 | 75.2 | 122.4 | -86.4 | -35.7 | 0 | 0 | 0 | 111.7 | |||
| 269 | S | 30.3 | Very low | 29.1 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -164.9 | 44.6 | 160.3 | 49.4 | 0 | 0 | 0 | 0 | 111.6 | L271 | S269-L271 PolarHBondContact O-N 3.13Š| ||
| 270 | Q | 34.3 | Very low | 29.2 | Very low | 177 Ų | 177 | 128 Ų | 128 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 3 | 179.2 | -92.8 | -178.3 | -12.9 | 0 | 0 | 115.3 | ||
| 271 | L | 29 | Very low | 29.3 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 88% | 0.88 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -18.3 | -178.4 | -107.6 | 143.9 | 0 | 0 | 0 | 114.8 | S269 | S269-L271 PolarHBondContact O-N 3.13Š|
| 272 | A | 29.3 | Very low | 29.3 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -29.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 273 | A | 27.7 | Very low | 29.4 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -24.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 274 | A | 29.9 | Very low | 29.4 | Very low | 67 Ų | 67 | 131 Ų | 131 | 55% | 0.554 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -27.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 275 | A | 28.7 | Very low | 29.3 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -22.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 276 | A | 32.2 | Very low | 29.1 | Very low | 89 Ų | 89 | 125.6 Ų | 125.6 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -85 | -12.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 277 | A | 32.6 | Very low | 29.1 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -86.3 | -11.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 278 | E | 30.2 | Very low | 28.9 | Very low | 180 Ų | 180 | 126.2 Ų | 126.2 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -102.1 | 8.2 | -169.7 | -103.1 | -154.7 | 167.9 | 0 | 0 | 117.2 | ||
| 279 | R | 26.9 | Very low | 28.9 | Very low | 232 Ų | 232 | 124.9 Ų | 124.9 | 88% | 0.875 | 73% | 0.725 | S | S | * | * | trans | -130.3 | 73.3 | 170.1 | -71.3 | -169 | 178 | 174.4 | 1.1 | 112.6 | S281 | R279-S281 VanDerWaalsContact C-N 3.25Å; R279-S281 PolarHBondContact O-N 3.15Å | ||
| 280 | S | 28.4 | Very low | 28.8 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -57.1 | 89.9 | 156.1 | -52.7 | 0 | 0 | 0 | 0 | 109.1 | T282 | S280-T282 PolarHBondContact O-N 3.04Š| ||
| 281 | S | 27.7 | Very low | 28.6 | Very low | 97 Ų | 97 | 120.9 Ų | 120.9 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | -81.7 | 99.2 | 170.6 | 58.7 | 0 | 0 | 0 | 0 | 108.5 | R279 I283 | R279-S281 VanDerWaalsContact C-N 3.25Å; R279-S281 PolarHBondContact O-N 3.15Å; S281-I283 PolarHBondContact O-N 2.97Å; S281-I283 VanDerWaalsContact O-N 3.15Å | ||
| 282 | T | 31 | Very low | 28.5 | Very low | 99 Ų | 99 | 123 Ų | 123 | 61% | 0.607 | 72% | 0.715 | S | S | * | * | trans | -65.1 | 107.7 | 173.3 | -55.6 | 0 | 0 | 0 | 0 | 109.4 | S280 W284 | S280-T282 PolarHBondContact O-N 3.04Å; T282-W284 HydrophobicContact CG2-CZ2 4.39Å | ||
| 283 | I | 25.6 | Very low | 28.4 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | trans | -90.4 | 115.9 | 174.2 | -58.9 | 176.4 | 0 | 0 | 0 | 108.8 | S281 V285 | S281-I283 PolarHBondContact O-N 2.97Å; S281-I283 VanDerWaalsContact O-N 3.15Å; I283-V285 HydrophobicContact CG2-CG2 4Å; I283-V285 PolarHBondContact O-N 2.85Å | ||
| 284 | W | 27.1 | Very low | 28.3 | Very low | 186 Ų | 186 | 126 Ų | 126 | 71% | 0.705 | 73% | 0.727 | S | S | * | * | trans | -85.3 | 107.4 | 174.2 | -61 | 84.1 | 0 | 0 | 0 | 109.5 | A251 T282 P286 | A251-W284 HydrophobicContact CB-CE3 3.85Å; A251-W284 HydrophobicContact CB-CZ3 3.44Å; A251-W284 VanDerWaalsContact CB-CZ3 3.44Å; T282-W284 HydrophobicContact CG2-CZ2 4.39Å; W284-P286 WeakPolarHBondContact O-CD 3.48Å | ||
| 285 | V | 24.7 | Very low | 28.1 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | -101.7 | 106.7 | 171.7 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | I283 I287 | I283-V285 HydrophobicContact CG2-CG2 4Å; I283-V285 PolarHBondContact O-N 2.85Å; V285-I287 PolarHBondContact O-N 3.3Å | ||
| 286 | P | 23.9 | Very low | 27.9 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | trans | -71.9 | 110 | 173.2 | 25.9 | -29.8 | 0 | 0 | 0 | 110 | W284 T288 | W284-P286 WeakPolarHBondContact O-CD 3.48Å; P286-T288 PolarHBondContact O-N 3.01Å; P286-T288 VanDerWaalsContact O-N 3.16Å | ||
| 287 | I | 30.8 | Very low | 27.4 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -74.7 | 102.3 | 169.5 | -55.8 | 174.1 | 0 | 0 | 0 | 107 | V285 E289 | V285-I287 PolarHBondContact O-N 3.3Å; I287-E289 PolarHBondContact O-N 3.03Å | ||
| 288 | T | 26.1 | Very low | 26.9 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -85.1 | 103.1 | 167.1 | 28.5 | 0 | 0 | 0 | 0 | 107.7 | P286 A290 | P286-T288 PolarHBondContact O-N 3.01Å; P286-T288 VanDerWaalsContact O-N 3.16Å; T288-A290 PolarHBondContact O-N 3.46Å; T288-A290 VanDerWaalsContact O-N 3.13Å | ||
| 289 | E | 31.6 | Very low | 26.6 | Very low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | -64.2 | 112.1 | 172.7 | -141 | 178 | 178.8 | 0 | 0 | 108.1 | I287 | I287-E289 PolarHBondContact O-N 3.03Š| ||
| 290 | A | 28.3 | Very low | 26.4 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | trans | -58.8 | 135.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | T288 R292 | T288-A290 PolarHBondContact O-N 3.46Å; T288-A290 VanDerWaalsContact O-N 3.13Å; A290-R292 PolarHBondContact O-N 3.42Å | ||
| 291 | P | 28.2 | Very low | 26.3 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | -60 | 105.9 | -178.3 | 22.4 | -30.7 | 0 | 0 | 0 | 108.7 | T293 | P291-T293 VanDerWaalsContact C-N 3.29Å; P291-T293 PolarHBondContact O-N 3.36Å | ||
| 292 | R | 28.2 | Very low | 26.1 | Very low | 212 Ų | 212 | 130.7 Ų | 130.7 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | trans | -64.5 | 95.1 | 168.8 | -69 | -180 | 173 | -173.9 | -1.9 | 106.1 | A290 A294 | A290-R292 PolarHBondContact O-N 3.42Å; R292-A294 PolarHBondContact O-N 2.93Å | ||
| 293 | T | 25.9 | Very low | 26 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | trans | -62.4 | 87.3 | 156.7 | 37.5 | 0 | 0 | 0 | 0 | 106.1 | P291 L295 | P291-T293 VanDerWaalsContact C-N 3.29Å; P291-T293 PolarHBondContact O-N 3.36Å; T293-L295 PolarHBondContact O-N 3.38Å | ||
| 294 | A | 27.3 | Very low | 25.9 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -54.3 | 114.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | R292 G296 | R292-A294 PolarHBondContact O-N 2.93Å; A294-G296 PolarHBondContact O-N 3.41Å | ||
| 295 | L | 25.3 | Very low | 25.7 | Very low | 180 Ų | 180 | 129.6 Ų | 129.6 | 94% | 0.942 | 77% | 0.766 | S | S | * | * | trans | -62.7 | 68.9 | 163.6 | -73.9 | 153.6 | 0 | 0 | 0 | 107.6 | T293 | T293-L295 PolarHBondContact O-N 3.38Š| ||
| 296 | G | 23.2 | Very low | 25.8 | Very low | 62 Ų | 62 | 128.5 Ų | 128.5 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | trans | -100.4 | 92.7 | 173 | 0 | 0 | 0 | 0 | 0 | 107.4 | A294 N298 | A294-G296 PolarHBondContact O-N 3.41Å; G296-N298 PolarHBondContact O-N 2.99Å; G296-N298 VanDerWaalsContact O-N 3.1Å | ||
| 297 | V | 22.6 | Very low | 25.8 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -54.4 | 111.3 | 168 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 298 | N | 21.8 | Very low | 25.6 | Very low | 153 Ų | 153 | 134 Ų | 134 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -135.9 | 126.2 | 148.9 | -166.6 | -6.4 | 0 | 0 | 0 | 109.1 | G296 | G296-N298 PolarHBondContact O-N 2.99Å; G296-N298 VanDerWaalsContact O-N 3.1Å | ||
| 299 | A | 23.9 | Very low | 25.4 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | trans | -67.5 | 160.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 300 | N | 22.4 | Very low | 25 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | 83.3 | 73.6 | 161 | -150.7 | 18.3 | 0 | 0 | 0 | 117.2 | ||||
| 301 | C | 26.2 | Very low | 25.1 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -124.2 | 78.4 | 150.2 | -53.2 | 0 | 0 | 0 | 0 | 107.9 | A303 | C301-A303 PolarHBondContact O-N 2.9Š| ||
| 302 | D | 23.9 | Very low | 25.1 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -65 | 82.6 | 161.5 | -163.6 | -0.3 | 0 | 0 | 0 | 108.1 | ||||
| 303 | A | 29.4 | Very low | 25 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | -119.6 | 83.5 | 176 | 0 | 0 | 0 | 0 | 0 | 108.9 | C301 T305 | C301-A303 PolarHBondContact O-N 2.9Å; A303-T305 PolarHBondContact O-N 3.4Å | ||
| 304 | K | 23.4 | Very low | 25 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -20.8 | 112.5 | 158.9 | -77.7 | 172.4 | 173.7 | 172.7 | 0 | 113.7 | A306 | K304-A306 PolarHBondContact O-N 3.25Š| ||
| 305 | T | 23.6 | Very low | 25.2 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | 20.5 | 83.8 | 128.6 | -20.9 | 0 | 0 | 0 | 0 | 116 | A303 | A303-T305 PolarHBondContact O-N 3.4Š| |||
| 306 | A | 26.5 | Very low | 25.4 | Very low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -86.6 | 106.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | K304 Y308 | K304-A306 PolarHBondContact O-N 3.25Å; A306-Y308 PolarHBondContact O-N 3.47Å | ||
| 307 | N | 22.6 | Very low | 25.5 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -44.6 | 100.5 | 173.7 | -89.8 | -51 | 0 | 0 | 0 | 112.5 | ||||
| 308 | Y | 26.6 | Very low | 25.9 | Very low | 228 Ų | 228 | 139.8 Ų | 139.8 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -108.2 | 103.5 | 152.4 | -93 | -87 | 0 | 0 | 0 | 108.5 | A306 G310 | A306-Y308 PolarHBondContact O-N 3.47Å; Y308-G310 PolarHBondContact O-N 2.85Å | ||
| 309 | R | 22.9 | Very low | 26.6 | Very low | 251 Ų | 251 | 140.6 Ų | 140.6 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | trans | -75.9 | 108.6 | -177.4 | -147.9 | -177.5 | -166 | -143.8 | 5.1 | 108 | ||||
| 310 | G | 23.9 | Very low | 27.3 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 107.3 | 83.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y308 | Y308-G310 PolarHBondContact O-N 2.85Š| ||
| 311 | N | 28.4 | Very low | 28.4 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | -165.4 | 125 | 105.1 | -148.8 | 7.7 | 0 | 0 | 0 | 108 | C313 | N311-C313 PolarHBondContact O-N 3.38Š| |||
| 312 | K | 28.8 | Very low | 29.6 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -73.6 | 108.1 | -173.3 | -68 | -176.8 | -179.1 | -174.9 | 0 | 109.8 | ||||
| 313 | C | 26.7 | Very low | 31.7 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -129.4 | 60.6 | 153.4 | -78.7 | 0 | 0 | 0 | 0 | 107.9 | N311 | N311-C313 PolarHBondContact O-N 3.38Š| ||
| 314 | S | 26.3 | Very low | 33.9 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -145.6 | 93.2 | 171.6 | -56.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 315 | N | 31.4 | Very low | 36.4 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | S | Bend | -145.9 | 130.3 | 129.3 | -91.3 | -10 | 0 | 0 | 0 | 105.6 | G317 | N315-G317 PolarHBondContact O-N 2.73Š| |
| 316 | G | 29.3 | Very low | 38.8 | Very low | 90 Ų | 90 | 136 Ų | 136 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | trans | -64.2 | 68.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q318 | G316-Q318 PolarHBondContact O-N 3.48Š| ||
| 317 | G | 25 | Very low | 41.1 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -64.3 | 116.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | N315 Q319 | N315-G317 PolarHBondContact O-N 2.73Å; G317-Q319 PolarHBondContact O-N 3.46Å | ||
| 318 | Q | 30.9 | Very low | 43.7 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | trans | -33.6 | 130.2 | 163.4 | -74 | 168 | -60.8 | 0 | 0 | 108.8 | G316 P320 | G316-Q318 PolarHBondContact O-N 3.48Å; Q318-P320 VanDerWaalsContact O-N 3.13Å | ||
| 319 | Q | 37.2 | Very low | 45.9 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | trans | -45.6 | 130.8 | 161.7 | -84.4 | -150.1 | -24 | 0 | 0 | 106.5 | G317 K321 | G317-Q319 PolarHBondContact O-N 3.46Å; Q319-K321 PolarHBondContact O-N 3.04Å | ||
| 320 | P | 38.8 | Very low | 48.3 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | trans | -60.1 | 101.6 | 171.3 | 25 | -29.4 | 0 | 0 | 0 | 104.2 | Q318 Q322 | Q318-P320 VanDerWaalsContact O-N 3.13Å; P320-Q322 HydrophobicContact CB-CG 4.44Å; P320-Q322 PolarHBondContact O-N 3.21Å | ||
| 321 | K | 45.2 | Very low | 50.6 | Low | 196 Ų | 196 | 115.2 Ų | 115.2 | 85% | 0.852 | 65% | 0.652 | S | S | * | * | trans | -62.2 | 81 | 159 | -74 | -177.9 | 177 | -179 | 0 | 102.8 | Q319 S323 | Q319-K321 PolarHBondContact O-N 3.04Å; K321-S323 PolarHBondContact O-N 2.93Å | ||
| 322 | Q | 50.7 | Low | 52.8 | Low | 146 Ų | 146 | 112.2 Ų | 112.2 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | trans | -60.3 | 89.7 | 158.2 | -72.5 | -163.7 | -32.6 | 0 | 0 | 102.7 | P320 | P320-Q322 HydrophobicContact CB-CG 4.44Å; P320-Q322 PolarHBondContact O-N 3.21Å | ||
| 323 | S | 67.9 | Low | 54.9 | Low | 63 Ų | 63 | 110.4 Ų | 110.4 | 44% | 0.441 | 62% | 0.623 | S | S | . | * | trans | -53.1 | 148.3 | 179.4 | 62.5 | 0 | 0 | 0 | 0 | 106.8 | K321 N325 A326 | K321-S323 PolarHBondContact O-N 2.93Å; S323-N325 PolarHBondContact O-N 2.89Å; S323-A326 WeakPolarHBondContact O-CB 3.43Å; S323-A326 PolarHBondContact O-N 2.83Å | ||
| 324 | L | 76.3 | Confident | 57 | Low | 131 Ų | 131 | 111.5 Ų | 111.5 | 69% | 0.686 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -44.5 | -33.8 | 174.1 | -163.2 | 92.7 | 0 | 0 | 0 | 111.5 | A326 I327 I328 | L324-A326 PolarHBondContact O-N 3.48Å; L324-I327 PolarHBondContact O-N 3.29Å; L324-I328 HydrophobicContact CD2-CD1 3.89Å; L324-I328 HydrophobicContact CG-CD1 4.14Å; L324-I328 WeakPolarHBondContact O-CG1 3.12Å; L324-I328 PolarHBondContact O-N 2.9Å |
| 325 | N | 75.1 | Confident | 59.2 | Low | 111 Ų | 111 | 112.2 Ų | 112.2 | 59% | 0.594 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -57.5 | -37.5 | 173.6 | -74.7 | -6.6 | 0 | 0 | 0 | 114.7 | S323 I327 I328 E329 | S323-N325 PolarHBondContact O-N 2.89Å; N325-I327 VanDerWaalsContact C-N 3.34Å; N325-I328 PolarHBondContact O-N 3.34Å; N325-E329 WeakPolarHBondContact O-CB 3.28Å; N325-E329 PolarHBondContact O-N 2.86Å |
| 326 | A | 73.7 | Confident | 60.6 | Low | 39 Ų | 39 | 105.9 Ų | 105.9 | 32% | 0.322 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.6 | -34.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S323 L324 A330 | S323-A326 WeakPolarHBondContact O-CB 3.43Å; S323-A326 PolarHBondContact O-N 2.83Å; L324-A326 PolarHBondContact O-N 3.48Å; A326-A330 WeakPolarHBondContact O-CB 3.47Å; A326-A330 PolarHBondContact O-N 3.17Å |
| 327 | I | 76.3 | Confident | 62.4 | Low | 89 Ų | 89 | 107.8 Ų | 107.8 | 46% | 0.456 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.8 | -44.8 | 173.9 | -60 | 173.1 | 0 | 0 | 0 | 109.4 | L324 N325 E329 A330 I331 | L324-I327 PolarHBondContact O-N 3.29Å; N325-I327 VanDerWaalsContact C-N 3.34Å; I327-E329 PolarHBondContact O-N 3.45Å; I327-A330 PolarHBondContact O-N 3.02Å; I327-I331 HydrophobicContact CG2-CD1 3.93Å; I327-I331 WeakPolarHBondContact O-CG1 3.49Å; I327-I331 PolarHBondContact O-N 3.22Å |
| 328 | I | 75.6 | Confident | 64 | Low | 45 Ų | 45 | 110.7 Ų | 110.7 | 23% | 0.231 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -60.2 | -43.7 | 176.5 | -69.3 | 166.3 | 0 | 0 | 0 | 111.1 | L324 N325 I331 R332 F340 | L324-I328 HydrophobicContact CD2-CD1 3.89Å; L324-I328 HydrophobicContact CG-CD1 4.14Å; L324-I328 WeakPolarHBondContact O-CG1 3.12Å; L324-I328 PolarHBondContact O-N 2.9Å; N325-I328 PolarHBondContact O-N 3.34Å; I328-I331 PolarHBondContact O-N 3.23Å; I328-R332 VanDerWaalsContact O-CB 3.31Å; I328-R332 WeakPolarHBondContact O-CB 3.48Å; I328-R332 PolarHBondContact O-N 2.92Å; I328-F340 HydrophobicContact CG2-CD1 4.39Å; I328-F340 HydrophobicContact CG2-CE1 3.72Å; I328-F340 HydrophobicContact CG2-CZ 4.07Å |
| 329 | E | 73.1 | Confident | 65.4 | Low | 112 Ų | 112 | 107.6 Ų | 107.6 | 52% | 0.523 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.5 | -41.3 | 174.7 | -101.1 | -174.1 | 145.6 | 0 | 0 | 112.4 | N325 I327 R332 Q333 | N325-E329 WeakPolarHBondContact O-CB 3.28Å; N325-E329 PolarHBondContact O-N 2.86Å; I327-E329 PolarHBondContact O-N 3.45Å; E329-R332 PolarHBondContact O-N 3.01Å; E329-Q333 WeakPolarHBondContact O-CG 3.25Å; E329-Q333 PolarHBondContact O-N 3.39Å |
| 330 | A | 72.9 | Confident | 66.5 | Low | 46 Ų | 46 | 103.4 Ų | 103.4 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A326 I327 Q333 L334 | A326-A330 WeakPolarHBondContact O-CB 3.47Å; A326-A330 PolarHBondContact O-N 3.17Å; I327-A330 PolarHBondContact O-N 3.02Å; A330-Q333 PolarHBondContact O-N 3.5Å; A330-L334 WeakPolarHBondContact O-CG 3.32Å; A330-L334 PolarHBondContact O-N 3.32Å; A330-L334 VanDerWaalsContact O-N 3.12Å |
| 331 | I | 73.4 | Confident | 67.3 | Low | 62 Ų | 62 | 101.7 Ų | 101.7 | 32% | 0.318 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 174.7 | -65.8 | 168.6 | 0 | 0 | 0 | 110.1 | I327 I328 Q333 L334 E335 F340 | I327-I331 HydrophobicContact CG2-CD1 3.93Å; I327-I331 WeakPolarHBondContact O-CG1 3.49Å; I327-I331 PolarHBondContact O-N 3.22Å; I328-I331 PolarHBondContact O-N 3.23Å; I331-Q333 VanDerWaalsContact C-N 3.29Å; I331-Q333 PolarHBondContact O-N 2.97Å; I331-L334 PolarHBondContact O-N 3.14Å; I331-L334 VanDerWaalsContact O-N 3.1Å; I331-E335 HydrophobicContact CG2-CG 4.48Å; I331-E335 VanDerWaalsContact CG2-OE2 3.27Å; I331-E335 WeakPolarHBondContact CG2-OE2 3.43Å; I331-E335 PolarHBondContact O-N 3.3Å; I331-F340 HydrophobicContact CB-CE2 4.5Å; I331-F340 HydrophobicContact CB-CZ 4.07Å; I331-F340 HydrophobicContact CG2-CE2 4Å; I331-F340 HydrophobicContact CG2-CZ 3.74Å |
| 332 | R | 74.6 | Confident | 67.7 | Low | 99 Ų | 99 | 98.4 Ų | 98.4 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59 | -37.7 | 177.5 | -165.7 | -175.6 | -52.2 | 176.8 | 5.1 | 113.1 | I328 E329 G336 E337 F340 | I328-R332 VanDerWaalsContact O-CB 3.31Å; I328-R332 WeakPolarHBondContact O-CB 3.48Å; I328-R332 PolarHBondContact O-N 2.92Å; E329-R332 PolarHBondContact O-N 3.01Å; R332-G336 CarbonylContact O-C 3.54Å; R332-G336 WeakPolarHBondContact O-CA 3.09Å; R332-G336 PolarHBondContact O-N 3.41Å; R332-E337 HydrophobicContact CG-CG 3.94Å; R332-F340 HydrophobicContact CB-CD2 4.13Å; R332-F340 HydrophobicContact CB-CE2 3.69Å; R332-F340 HydrophobicContact CB-CZ 4.39Å; R332-F340 HydrophobicContact CG-CD2 4.03Å; R332-F340 HydrophobicContact CG-CE2 4.12Å |
| 333 | Q | 72.3 | Confident | 67.8 | Low | 161 Ų | 161 | 95.8 Ų | 95.8 | 75% | 0.752 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.6 | -31.7 | 176.2 | -72.7 | 179.9 | 12 | 0 | 0 | 113.1 | E329 A330 I331 | E329-Q333 WeakPolarHBondContact O-CG 3.25Å; E329-Q333 PolarHBondContact O-N 3.39Å; A330-Q333 PolarHBondContact O-N 3.5Å; I331-Q333 VanDerWaalsContact C-N 3.29Å; I331-Q333 PolarHBondContact O-N 2.97Å |
| 334 | L | 71.3 | Confident | 67 | Low | 149 Ų | 149 | 99.2 Ų | 99.2 | 78% | 0.78 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -84.9 | -42.7 | -177.4 | -73.1 | 170.9 | 0 | 0 | 0 | 113.2 | A330 I331 | A330-L334 WeakPolarHBondContact O-CG 3.32Å; A330-L334 PolarHBondContact O-N 3.32Å; A330-L334 VanDerWaalsContact O-N 3.12Å; I331-L334 PolarHBondContact O-N 3.14Å; I331-L334 VanDerWaalsContact O-N 3.1Å |
| 335 | E | 73.1 | Confident | 65.7 | Low | 123 Ų | 123 | 97 Ų | 97 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -106.5 | -4 | -169.5 | -59.6 | -176 | 154.3 | 0 | 0 | 112.7 | I331 L339 | I331-E335 HydrophobicContact CG2-CG 4.48Å; I331-E335 VanDerWaalsContact CG2-OE2 3.27Å; I331-E335 WeakPolarHBondContact CG2-OE2 3.43Å; I331-E335 PolarHBondContact O-N 3.3Å; E335-L339 HydrophobicContact CB-CD1 3.57Å; E335-L339 HydrophobicContact CG-CD1 4.22Å; E335-L339 WeakPolarHBondContact OE2-CD1 3.43Å |
| 336 | G | 59.4 | Low | 64.2 | Low | 31 Ų | 31 | 98.8 Ų | 98.8 | 32% | 0.32 | 51% | 0.511 | S | S | . | . | trans | 79.4 | 165.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | R332 E338 | R332-G336 CarbonylContact O-C 3.54Å; R332-G336 WeakPolarHBondContact O-CA 3.09Å; R332-G336 PolarHBondContact O-N 3.41Å; G336-E338 PolarHBondContact O-N 3.31Å; G336-E338 VanDerWaalsContact O-N 3.13Å | ||
| 337 | E | 66.9 | Low | 63 | Low | 130 Ų | 130 | 104.5 Ų | 104.5 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -67.5 | -11 | -178.2 | -64.5 | -166.2 | 155 | 0 | 0 | 113.5 | R332 L339 F340 V341 | R332-E337 HydrophobicContact CG-CG 3.94Å; E337-L339 PolarHBondContact O-N 3.01Å; E337-F340 PolarHBondContact O-N 3.47Å; E337-V341 PolarHBondContact O-N 3.49Å |
| 338 | E | 59.3 | Low | 61.6 | Low | 130 Ų | 130 | 104.2 Ų | 104.2 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -63.3 | -26.1 | -172.9 | -62.3 | -156.4 | -161.7 | 0 | 0 | 114.3 | G336 F340 R346 | G336-E338 PolarHBondContact O-N 3.31Å; G336-E338 VanDerWaalsContact O-N 3.13Å; E338-F340 VanDerWaalsContact C-N 3.33Å; E338-R346 IonicContact OE1-NH2 2.8Å; E338-R346 IonicContact OE2-CZ 3.9Å; E338-R346 IonicContact OE2-NH1 3.63Å; E338-R346 IonicContact OE2-NH2 3.67Å; E338-R346 PolarHBondContact OE2-NH2 3.34Å |
| 339 | L | 59.8 | Low | 60.1 | Low | 117 Ų | 117 | 105.5 Ų | 105.5 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -78.8 | -17.1 | 175.3 | -69.9 | 173 | 0 | 0 | 0 | 113.6 | E335 E337 | E335-L339 HydrophobicContact CB-CD1 3.57Å; E335-L339 HydrophobicContact CG-CD1 4.22Å; E335-L339 WeakPolarHBondContact OE2-CD1 3.43Å; E337-L339 PolarHBondContact O-N 3.01Å |
| 340 | F | 62.1 | Low | 58.7 | Low | 82 Ų | 82 | 108.3 Ų | 108.3 | 36% | 0.36 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.9 | -6.4 | -179.8 | -60.6 | -80.7 | 0 | 0 | 0 | 112.9 | I328 I331 R332 E337 E338 D342 | I328-F340 HydrophobicContact CG2-CD1 4.39Å; I328-F340 HydrophobicContact CG2-CE1 3.72Å; I328-F340 HydrophobicContact CG2-CZ 4.07Å; I331-F340 HydrophobicContact CB-CE2 4.5Å; I331-F340 HydrophobicContact CB-CZ 4.07Å; I331-F340 HydrophobicContact CG2-CE2 4Å; I331-F340 HydrophobicContact CG2-CZ 3.74Å; R332-F340 HydrophobicContact CB-CD2 4.13Å; R332-F340 HydrophobicContact CB-CE2 3.69Å; R332-F340 HydrophobicContact CB-CZ 4.39Å; R332-F340 HydrophobicContact CG-CD2 4.03Å; R332-F340 HydrophobicContact CG-CE2 4.12Å; E337-F340 PolarHBondContact O-N 3.47Å; E338-F340 VanDerWaalsContact C-N 3.33Å; F340-D342 PolarHBondContact O-N 2.87Å |
| 341 | V | 54.3 | Low | 57.1 | Low | 73 Ų | 73 | 115.4 Ų | 115.4 | 44% | 0.442 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -82.7 | 108.2 | 170.5 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | E337 S343 | E337-V341 PolarHBondContact O-N 3.49Å; V341-S343 PolarHBondContact O-N 3.17Å; V341-S343 VanDerWaalsContact O-N 3.1Å |
| 342 | D | 54.1 | Low | 55.3 | Low | 127 Ų | 127 | 118.5 Ų | 118.5 | 68% | 0.679 | 59% | 0.589 | S | S | * | * | trans | -46.5 | 120.9 | 174.3 | -71.7 | -36.4 | 0 | 0 | 0 | 110.1 | F340 E344 C345 | F340-D342 PolarHBondContact O-N 2.87Å; D342-E344 PolarHBondContact O-N 3.34Å; D342-C345 PolarHBondContact O-N 2.88Å | ||
| 343 | S | 53.4 | Low | 53.7 | Low | 92 Ų | 92 | 121.7 Ų | 121.7 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.9 | -9.4 | -176.1 | 40.1 | 0 | 0 | 0 | 0 | 113.4 | V341 | V341-S343 PolarHBondContact O-N 3.17Å; V341-S343 VanDerWaalsContact O-N 3.1Å |
| 344 | E | 50.2 | Low | 52.1 | Low | 134 Ų | 134 | 124.9 Ų | 124.9 | 63% | 0.626 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.6 | -34.3 | 169.9 | -79.9 | 170 | 172.2 | 0 | 0 | 113.4 | D342 R346 R347 T348 | D342-E344 PolarHBondContact O-N 3.34Å; E344-R346 PolarHBondContact O-N 3.49Å; E344-R347 PolarHBondContact O-N 3.01Å; E344-R347 VanDerWaalsContact O-N 3.11Å; E344-R347 IonicContact OE1-NH2 3.93Å; E344-T348 PolarHBondContact O-N 2.95Å |
| 345 | C | 48.3 | Very low | 50.6 | Low | 84 Ų | 84 | 125.8 Ų | 125.8 | 57% | 0.568 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72 | -29.7 | 179.5 | -156 | 0 | 0 | 0 | 0 | 112.3 | D342 R347 T348 A349 | D342-C345 PolarHBondContact O-N 2.88Å; C345-R347 VanDerWaalsContact C-N 3.29Å; C345-R347 PolarHBondContact O-N 3.47Å; C345-T348 PolarHBondContact O-OG1 2.97Å; C345-A349 PolarHBondContact O-N 2.82Å |
| 346 | R | 43.7 | Very low | 48.5 | Very low | 149 Ų | 149 | 123 Ų | 123 | 56% | 0.562 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68 | -26.1 | 170.5 | -86.6 | -171.3 | 176.5 | 174.6 | 1.8 | 112.8 | E338 E344 | E338-R346 IonicContact OE1-NH2 2.8Å; E338-R346 IonicContact OE2-CZ 3.9Å; E338-R346 IonicContact OE2-NH1 3.63Å; E338-R346 IonicContact OE2-NH2 3.67Å; E338-R346 PolarHBondContact OE2-NH2 3.34Å; E344-R346 PolarHBondContact O-N 3.49Å |
| 347 | R | 48.5 | Very low | 46.9 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 60% | 0.604 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.1 | -41 | 179.7 | -83.2 | -172.7 | -79.6 | 158.7 | -3.2 | 112.1 | E344 C345 W351 | E344-R347 PolarHBondContact O-N 3.01Å; E344-R347 VanDerWaalsContact O-N 3.11Å; E344-R347 IonicContact OE1-NH2 3.93Å; C345-R347 VanDerWaalsContact C-N 3.29Å; C345-R347 PolarHBondContact O-N 3.47Å; R347-W351 VanDerWaalsContact O-CB 3.27Å; R347-W351 WeakPolarHBondContact O-CB 3.5Å; R347-W351 PolarHBondContact O-N 2.89Å |
| 348 | T | 46.5 | Very low | 45.2 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 51% | 0.509 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.4 | -40.1 | 177 | 44.5 | 0 | 0 | 0 | 0 | 112.3 | E344 C345 K350 W351 D352 | E344-T348 PolarHBondContact O-N 2.95Å; C345-T348 PolarHBondContact O-OG1 2.97Å; T348-K350 VanDerWaalsContact C-N 3.31Å; T348-K350 PolarHBondContact O-N 3.27Å; T348-W351 PolarHBondContact O-N 3.38Å; T348-D352 PolarHBondContact O-N 2.96Å; T348-D352 VanDerWaalsContact O-N 3.17Å |
| 349 | A | 45.2 | Very low | 43.8 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 60% | 0.595 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -63.8 | -31.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | C345 | C345-A349 PolarHBondContact O-N 2.82Å |
| 350 | K | 43.4 | Very low | 42.5 | Very low | 171 Ų | 171 | 127 Ų | 127 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -87.3 | -23.3 | 175.4 | -101 | -176.1 | 177.2 | 178.3 | 0 | 113.8 | T348 | T348-K350 VanDerWaalsContact C-N 3.31Å; T348-K350 PolarHBondContact O-N 3.27Å |
| 351 | W | 38.8 | Very low | 40.8 | Very low | 194 Ų | 194 | 129.1 Ų | 129.1 | 74% | 0.735 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -76.7 | -38.9 | -179.6 | -165 | -99.6 | 0 | 0 | 0 | 111.8 | R347 T348 Q353 R354 | R347-W351 VanDerWaalsContact O-CB 3.27Å; R347-W351 WeakPolarHBondContact O-CB 3.5Å; R347-W351 PolarHBondContact O-N 2.89Å; T348-W351 PolarHBondContact O-N 3.38Å; W351-Q353 VanDerWaalsContact C-N 3.26Å; W351-Q353 PolarHBondContact O-N 2.98Å; W351-R354 PolarHBondContact O-N 3.25Å |
| 352 | D | 37 | Very low | 39.7 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 68% | 0.684 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -70.3 | -18.5 | -179.7 | -79.3 | -25.4 | 0 | 0 | 0 | 114.1 | T348 R354 | T348-D352 PolarHBondContact O-N 2.96Å; T348-D352 VanDerWaalsContact O-N 3.17Å; D352-R354 VanDerWaalsContact C-N 3.29Å; D352-R354 PolarHBondContact O-N 2.76Å |
| 353 | Q | 39.7 | Very low | 38.5 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -79.8 | -6.3 | 178.7 | -157 | 166 | 32.6 | 0 | 0 | 114 | W351 | W351-Q353 VanDerWaalsContact C-N 3.26Å; W351-Q353 PolarHBondContact O-N 2.98Å |
| 354 | R | 39 | Very low | 37.3 | Very low | 227 Ų | 227 | 130.9 Ų | 130.9 | 86% | 0.857 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -106.9 | -0.8 | -176.9 | -75 | -171.3 | 175.9 | -111.1 | 0.3 | 115.7 | W351 D352 | W351-R354 PolarHBondContact O-N 3.25Å; D352-R354 VanDerWaalsContact C-N 3.29Å; D352-R354 PolarHBondContact O-N 2.76Å |
| 355 | Q | 41.2 | Very low | 36.4 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -116.9 | 2.9 | 178.5 | -71.7 | -86.7 | 9.4 | 0 | 0 | 114 | ||
| 356 | G | 27.7 | Very low | 35.2 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -93.5 | 112.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 357 | G | 26.7 | Very low | 34.3 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | trans | -75.2 | -164.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 358 | E | 30.4 | Very low | 33.4 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | 90.5 | 86.2 | 170.1 | -59.3 | -172.9 | 150.3 | 0 | 0 | 117.8 | ||||
| 359 | T | 30.7 | Very low | 32.5 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 87% | 0.871 | 75% | 0.748 | S | S | * | * | trans | 18.5 | 107.9 | 130.8 | 49.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 360 | A | 30.9 | Very low | 31.6 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | -137.8 | 129.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 361 | P | 28.1 | Very low | 30.7 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | trans | -78.9 | 131.9 | -159.7 | 30.8 | -33.7 | 0 | 0 | 0 | 112.1 | S363 | P361-S363 PolarHBondContact O-N 3.1Å; P361-S363 VanDerWaalsContact O-N 3.15Å | ||
| 362 | V | 30.7 | Very low | 30.2 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | -71.1 | 104.7 | 165.1 | -179.7 | 0 | 0 | 0 | 0 | 107.4 | S364 | V362-S364 PolarHBondContact O-N 2.8Š| ||
| 363 | S | 29.2 | Very low | 29.6 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -59.8 | 101.3 | 168.1 | 38.5 | 0 | 0 | 0 | 0 | 110.1 | P361 | P361-S363 PolarHBondContact O-N 3.1Å; P361-S363 VanDerWaalsContact O-N 3.15Å | ||
| 364 | S | 27.6 | Very low | 28.9 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 53% | 0.531 | 76% | 0.757 | S | S | . | * | trans | -76.5 | 132.3 | 158.2 | 159.2 | 0 | 0 | 0 | 0 | 109.4 | V362 F366 | V362-S364 PolarHBondContact O-N 2.8Å; S364-F366 VanDerWaalsContact C-N 3.33Å; S364-F366 PolarHBondContact O-N 2.67Å; S364-F366 VanDerWaalsContact O-N 3.12Å; S364-F366 PolarHBondContact OG-N 2.85Å | ||
| 365 | P | 30.4 | Very low | 28.6 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 84% | 0.844 | 76% | 0.758 | S | S | * | * | trans | -74.4 | 93.7 | 156.7 | 3.7 | 13.5 | 0 | 0 | 0 | 108 | ||||
| 366 | F | 24.1 | Very low | 27.8 | Very low | 168 Ų | 168 | 119.3 Ų | 119.3 | 74% | 0.737 | 76% | 0.76 | S | S | * | * | trans | -59.3 | 130.2 | 164.4 | -112.2 | -111.8 | 0 | 0 | 0 | 110.5 | S364 | S364-F366 VanDerWaalsContact C-N 3.33Å; S364-F366 PolarHBondContact O-N 2.67Å; S364-F366 VanDerWaalsContact O-N 3.12Å; S364-F366 PolarHBondContact OG-N 2.85Å | ||
| 367 | N | 24.2 | Very low | 27.8 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | 57.2 | 116.1 | 111.7 | -147.4 | 8.8 | 0 | 0 | 0 | 119 | |||||
| 368 | S | 30.9 | Very low | 27.7 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -154.5 | 100 | 143.4 | -128.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 369 | Q | 26.7 | Very low | 27.7 | Very low | 133 Ų | 133 | 118.9 Ų | 118.9 | 62% | 0.621 | 76% | 0.762 | S | S | * | * | 79.5 | 117.3 | 96.1 | -87.4 | -161.4 | -31.7 | 0 | 0 | 115.6 | |||||
| 370 | Q | 25.4 | Very low | 27.5 | Very low | 142 Ų | 142 | 117.9 Ų | 117.9 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | 75.6 | 145.7 | 130.8 | -70.2 | -176.2 | -11.2 | 0 | 0 | 117.1 | ||||
| 371 | N | 26.2 | Very low | 27.2 | Very low | 146 Ų | 146 | 118.6 Ų | 118.6 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | cis | -170.4 | 158.8 | 6.3 | -109.1 | -22.2 | 0 | 0 | 0 | 105.8 | ||||
| 372 | G | 26.7 | Very low | 27.4 | Very low | 67 Ų | 67 | 118.5 Ų | 118.5 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | 140.6 | 74.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 373 | S | 25.5 | Very low | 27.2 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | 68 | 104.7 | 97.2 | 80.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 374 | G | 23.7 | Very low | 27.3 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | 94.1 | 118.5 | 105.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 375 | V | 32.7 | Very low | 27.3 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | -153.2 | 134.1 | 91.2 | 163.1 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 376 | T | 25.8 | Very low | 27.3 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -65.3 | 152.1 | 170.4 | 45.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 377 | G | 26.3 | Very low | 27.5 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 141.7 | 89.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 378 | S | 25.4 | Very low | 27.8 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | 83.4 | 135.4 | 67.3 | -167.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 379 | V | 31.2 | Very low | 28 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | trans | 85.5 | 127.5 | 166.8 | -165.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 380 | V | 25.3 | Very low | 28.2 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | 172.2 | 138.9 | -19.8 | 134.8 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 381 | S | 25.9 | Very low | 28.5 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 57.4 | 139.5 | 159.8 | -69.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 382 | T | 30.8 | Very low | 28.7 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -157.1 | 150.7 | 42.7 | -26.3 | 0 | 0 | 0 | 0 | 110.7 | E384 | T382-E384 PolarHBondContact O-N 2.9Š| ||
| 383 | E | 27.7 | Very low | 29 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | -45.7 | 122.8 | 174.3 | -70.2 | 159.7 | 113.9 | 0 | 0 | 114.3 | ||||
| 384 | E | 31.5 | Very low | 29.3 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -128.8 | 92.1 | 138.2 | -73.7 | -166.8 | 161.2 | 0 | 0 | 107.5 | T382 F386 | T382-E384 PolarHBondContact O-N 2.9Å; E384-F386 PolarHBondContact O-N 3.44Å | ||
| 385 | Q | 27.3 | Very low | 29.5 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -61.5 | 88.8 | 162.6 | -81 | -178.1 | -6.6 | 0 | 0 | 108.6 | ||||
| 386 | F | 29.3 | Very low | 29.7 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | trans | -94.6 | 100.7 | 157.8 | -114.8 | -91.4 | 0 | 0 | 0 | 108.9 | E384 Q388 | E384-F386 PolarHBondContact O-N 3.44Å; F386-Q388 PolarHBondContact O-N 3.45Å | ||
| 387 | V | 29.3 | Very low | 30.3 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -59.7 | 82.6 | 169 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | K389 | V387-K389 VanDerWaalsContact C-N 3.33Å; V387-K389 PolarHBondContact O-N 2.81Å; V387-K389 VanDerWaalsContact O-N 3.14Å | ||
| 388 | Q | 30.9 | Very low | 30.4 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -83.1 | 90.4 | 165.1 | -100.4 | -177.7 | 7.8 | 0 | 0 | 108.8 | F386 S390 | F386-Q388 PolarHBondContact O-N 3.45Å; Q388-S390 PolarHBondContact O-N 3.36Å | ||
| 389 | K | 34.2 | Very low | 30.8 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -15.5 | 115.8 | 159.9 | -67.7 | 171 | 178.1 | 175.8 | 0 | 112.3 | V387 V391 | V387-K389 VanDerWaalsContact C-N 3.33Å; V387-K389 PolarHBondContact O-N 2.81Å; V387-K389 VanDerWaalsContact O-N 3.14Å; K389-V391 PolarHBondContact O-N 3.4Å | ||
| 390 | S | 32 | Very low | 30.8 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -39.5 | 119 | 164.3 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | Q388 | Q388-S390 PolarHBondContact O-N 3.36Š| ||
| 391 | V | 30.1 | Very low | 31.2 | Very low | 131 Ų | 131 | 145 Ų | 145 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -52.4 | 131.8 | 162.2 | 177.4 | 0 | 0 | 0 | 0 | 107.6 | K389 K393 | K389-V391 PolarHBondContact O-N 3.4Å; V391-K393 PolarHBondContact O-N 2.69Å | ||
| 392 | P | 30.3 | Very low | 31.4 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | trans | -62 | 117 | -176.8 | -14.4 | 26.3 | 0 | 0 | 0 | 109.2 | I394 | P392-I394 VanDerWaalsContact C-N 3.32Å; P392-I394 PolarHBondContact O-N 2.99Å | ||
| 393 | K | 33.4 | Very low | 31.5 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | trans | -58.6 | 104.7 | 154.1 | -103.5 | 174.8 | 175.1 | 174.7 | 0 | 105.5 | V391 G395 | V391-K393 PolarHBondContact O-N 2.69Å; K393-G395 PolarHBondContact O-N 2.94Å | ||
| 394 | I | 32.3 | Very low | 31.8 | Very low | 149 Ų | 149 | 146 Ų | 146 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -66.3 | 89.2 | 167 | -62 | 165.8 | 0 | 0 | 0 | 105.3 | P392 | P392-I394 VanDerWaalsContact C-N 3.32Å; P392-I394 PolarHBondContact O-N 2.99Å | ||
| 395 | G | 28.3 | Very low | 31.9 | Very low | 53 Ų | 53 | 146 Ų | 146 | 55% | 0.546 | 78% | 0.777 | S | S | . | * | trans | -69.9 | 130 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | K393 D397 | K393-G395 PolarHBondContact O-N 2.94Å; G395-D397 PolarHBondContact O-N 2.74Å | ||
| 396 | F | 36.5 | Very low | 32 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 75% | 0.746 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -77.9 | 36.4 | -178.9 | -89.9 | -88.8 | 0 | 0 | 0 | 113.1 | ||
| 397 | D | 37.6 | Very low | 32.2 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -106.1 | 36.3 | -172.1 | -62.2 | -39.4 | 0 | 0 | 0 | 113.4 | G395 | G395-D397 PolarHBondContact O-N 2.74Š| ||
| 398 | N | 30.1 | Very low | 32.2 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -133.3 | 53.7 | 170.7 | -97.1 | -22.6 | 0 | 0 | 0 | 111.7 | G400 | N398-G400 VanDerWaalsContact C-N 3.27Å; N398-G400 PolarHBondContact O-N 2.72Å | ||
| 399 | Y | 33.2 | Very low | 32.4 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -91.6 | 72.4 | 150.2 | -76.1 | -83.4 | 0 | 0 | 0 | 107.7 | T401 | Y399-T401 PolarHBondContact O-N 2.85Š| ||
| 400 | G | 31.1 | Very low | 32.2 | Very low | 63 Ų | 63 | 147.1 Ų | 147.1 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | -69.3 | 114.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | N398 | N398-G400 VanDerWaalsContact C-N 3.27Å; N398-G400 PolarHBondContact O-N 2.72Å | ||
| 401 | T | 33.7 | Very low | 32.2 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -34.3 | 132.6 | 166 | 31.6 | 0 | 0 | 0 | 0 | 113.2 | Y399 E403 | Y399-T401 PolarHBondContact O-N 2.85Å; T401-E403 PolarHBondContact O-N 2.87Å | ||
| 402 | C | 30.7 | Very low | 32.3 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 92% | 0.919 | 78% | 0.776 | S | S | * | * | trans | -66.3 | 75.4 | 167.8 | -63.5 | 0 | 0 | 0 | 0 | 110.1 | T404 | C402-T404 PolarHBondContact O-N 2.81Š| ||
| 403 | E | 31.5 | Very low | 32.2 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -76.2 | 115.6 | 161.4 | -87.3 | -177.9 | 154.1 | 0 | 0 | 108.3 | T401 H405 | T401-E403 PolarHBondContact O-N 2.87Å; E403-H405 PolarHBondContact O-N 3.03Å | ||
| 404 | T | 35 | Very low | 32.5 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -54.8 | 96.2 | 174.3 | 7.7 | 0 | 0 | 0 | 0 | 110.2 | C402 H406 | C402-T404 PolarHBondContact O-N 2.81Å; T404-H406 PolarHBondContact O-N 2.83Å | ||
| 405 | H | 32 | Very low | 32.5 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -70.3 | 83.7 | 166.3 | -79.4 | -71.9 | 0 | 0 | 0 | 109.8 | E403 R407 | E403-H405 PolarHBondContact O-N 3.03Å; H405-R407 VanDerWaalsContact C-N 3.33Å; H405-R407 PolarHBondContact O-N 3.12Å | ||
| 406 | H | 29.8 | Very low | 32.7 | Very low | 177 Ų | 177 | 150.6 Ų | 150.6 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | -60.2 | 97.2 | 155.4 | -98.6 | -79.2 | 0 | 0 | 0 | 108 | T404 E408 | T404-H406 PolarHBondContact O-N 2.83Å; H406-E408 PolarHBondContact O-N 3.02Å | ||
| 407 | R | 33.9 | Very low | 32.5 | Very low | 218 Ų | 218 | 149.5 Ų | 149.5 | 82% | 0.823 | 81% | 0.814 | S | S | * | * | trans | -88.1 | 91.7 | 171.1 | -146.2 | 179.2 | -166.4 | -170.6 | 3.9 | 107.7 | H405 M409 | H405-R407 VanDerWaalsContact C-N 3.33Å; H405-R407 PolarHBondContact O-N 3.12Å; R407-M409 PolarHBondContact O-N 3.18Å; R407-M409 VanDerWaalsContact O-N 3.15Å | ||
| 408 | E | 30.3 | Very low | 32.2 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | -57.7 | 111.6 | 161 | -76.2 | -178.5 | 148.6 | 0 | 0 | 108 | H406 T410 | H406-E408 PolarHBondContact O-N 3.02Å; E408-T410 PolarHBondContact O-N 3.08Å | ||
| 409 | M | 34.1 | Very low | 32.4 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 82% | 0.823 | 81% | 0.812 | S | S | * | * | trans | -85.2 | 100.8 | 162.5 | -78.6 | -163.4 | -156.8 | 0 | 0 | 107.9 | R407 V411 | R407-M409 PolarHBondContact O-N 3.18Å; R407-M409 VanDerWaalsContact O-N 3.15Å; M409-V411 PolarHBondContact O-N 3.3Å | ||
| 410 | T | 31.2 | Very low | 32.3 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -61 | 120.7 | 168.3 | -41.1 | 0 | 0 | 0 | 0 | 109.5 | E408 V412 | E408-T410 PolarHBondContact O-N 3.08Å; T410-V412 PolarHBondContact O-N 3.49Å | ||
| 411 | V | 31.2 | Very low | 32.4 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 75% | 0.745 | 82% | 0.823 | S | S | * | * | trans | -68.6 | 110 | 170.2 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | M409 S413 | M409-V411 PolarHBondContact O-N 3.3Å; V411-S413 PolarHBondContact O-N 3.48Å | ||
| 412 | V | 32.5 | Very low | 32.3 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -82.7 | 103.7 | 169.4 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | T410 | T410-V412 PolarHBondContact O-N 3.49Š| ||
| 413 | S | 27.1 | Very low | 32.4 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -83.8 | 112.6 | 164.5 | -58.7 | 0 | 0 | 0 | 0 | 109.4 | V411 | V411-S413 PolarHBondContact O-N 3.48Š| ||
| 414 | S | 40.4 | Very low | 32.5 | Very low | 179 Ų | 179 | 154.5 Ų | 154.5 | 100% | 1.252 | 83% | 0.832 | S | S | * | * | trans | -165.7 | 0 | 151.4 | 56.7 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 414 of 414 residues in 244.5 ms
(Link to these results)