| 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 | 33.3 | Very low | 40.5 | Very low | 238 Ų | 238 | 157.7 Ų | 157.7 | 100% | 1.172 | 82% | 0.817 | S | S | * | * | 0 | 59.4 | 0 | -167.7 | 169 | 77.6 | 0 | 0 | 109.3 | |||||
| 2 | L | 35.7 | Very low | 40.8 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -153.9 | 84 | -172.3 | -72.9 | 176.2 | 0 | 0 | 0 | 109.5 | ||||
| 3 | K | 35.7 | Very low | 41.4 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -174 | 120.8 | 153.1 | -119.5 | -169.2 | 175.8 | -152.5 | 0 | 110.8 | D6 | K3-D6 IonicContact NZ-OD2 3.97Š| ||
| 4 | S | 37.4 | Very low | 42.4 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -167.1 | 60.8 | 166.6 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 5 | E | 43 | Very low | 44.1 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | -126.6 | 174.9 | 166.3 | -69.8 | 170.9 | 115.9 | 0 | 0 | 106 | ||||
| 6 | D | 45.5 | Very low | 45.3 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | 77.1 | 59.7 | -175.6 | -45.8 | -37.6 | 0 | 0 | 0 | 116.5 | K3 | K3-D6 IonicContact NZ-OD2 3.97Š| ||
| 7 | Q | 38.8 | Very low | 46.7 | Very low | 193 Ų | 193 | 134.2 Ų | 134.2 | 90% | 0.902 | 70% | 0.702 | S | S | * | * | trans | -139.9 | 62.4 | 154.5 | -82.1 | -157.3 | -17.2 | 0 | 0 | 112.2 | ||||
| 8 | D | 45 | Very low | 47.9 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | trans | -150.2 | 23.7 | 174 | -104.4 | -41.8 | 0 | 0 | 0 | 114.1 | ||||
| 9 | E | 49.4 | Very low | 48.9 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 62% | 0.617 | 69% | 0.692 | S | S | * | * | trans | -108.8 | -2.3 | -168.4 | -99.2 | -67.2 | 136.7 | 0 | 0 | 116.2 | K13 | E9-K13 PolarHBondContact O-NZ 3.42Š| ||
| 10 | D | 43.3 | Very low | 49.9 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 65% | 0.647 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -95 | -9.1 | -178.6 | -74.2 | -42.5 | 0 | 0 | 0 | 114.8 | K13 | D10-K13 IonicContact OD1-NZ 2.7Å; D10-K13 PolarHBondContact OD1-NZ 3.46Å |
| 11 | C | 38.8 | Very low | 50.8 | Low | 109 Ų | 109 | 129.5 Ų | 129.5 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78.4 | -35.3 | 170.3 | -162.9 | 0 | 0 | 0 | 0 | 112 | K13 | C11-K13 PolarHBondContact O-N 3.09Å |
| 12 | A | 44.3 | Very low | 52.5 | Low | 56 Ų | 56 | 120.1 Ų | 120.1 | 46% | 0.463 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66 | -36.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N14 G15 Y16 | A12-N14 VanDerWaalsContact C-N 3.33Å; A12-N14 PolarHBondContact O-N 2.95Å; A12-G15 PolarHBondContact O-N 3.42Å; A12-Y16 PolarHBondContact O-N 3.02Å; A12-Y16 VanDerWaalsContact O-N 3.15Å |
| 13 | K | 48.5 | Very low | 53.9 | Low | 96 Ų | 96 | 116.4 Ų | 116.4 | 42% | 0.417 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -57.7 | -43.4 | -177.6 | -61 | -176.9 | -179.6 | 74.9 | 0 | 112.3 | E9 D10 C11 G15 Y16 D17 | E9-K13 PolarHBondContact O-NZ 3.42Å; D10-K13 IonicContact OD1-NZ 2.7Å; D10-K13 PolarHBondContact OD1-NZ 3.46Å; C11-K13 PolarHBondContact O-N 3.09Å; K13-G15 VanDerWaalsContact C-N 3.27Å; K13-G15 PolarHBondContact O-N 3.07Å; K13-Y16 PolarHBondContact O-N 3.31Å; K13-Y16 VanDerWaalsContact O-N 3.13Å; K13-D17 PolarHBondContact O-N 3.03Å |
| 14 | N | 55.8 | Low | 55.4 | Low | 120 Ų | 120 | 110.7 Ų | 110.7 | 64% | 0.642 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.1 | -36.2 | 176.7 | -64.5 | -36.7 | 0 | 0 | 0 | 112.5 | A12 F18 | A12-N14 VanDerWaalsContact C-N 3.33Å; A12-N14 PolarHBondContact O-N 2.95Å; N14-F18 VanDerWaalsContact O-CB 3.25Å; N14-F18 WeakPolarHBondContact O-CB 3.41Å; N14-F18 PolarHBondContact O-N 3.45Å |
| 15 | G | 66.8 | Low | 56.7 | Low | 37 Ų | 37 | 109.4 Ų | 109.4 | 38% | 0.381 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.9 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A12 K13 L19 | A12-G15 PolarHBondContact O-N 3.42Å; K13-G15 VanDerWaalsContact C-N 3.27Å; K13-G15 PolarHBondContact O-N 3.07Å; G15-L19 WeakPolarHBondContact O-CB 3.4Å; G15-L19 WeakPolarHBondContact O-CG 3.45Å; G15-L19 PolarHBondContact O-N 3.37Å |
| 16 | Y | 64.1 | Low | 57.9 | Low | 159 Ų | 159 | 106.4 Ų | 106.4 | 62% | 0.624 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.2 | -48.2 | 177 | -176.8 | -97.3 | 0 | 0 | 0 | 112.3 | A12 K13 F18 L19 K20 | A12-Y16 PolarHBondContact O-N 3.02Å; A12-Y16 VanDerWaalsContact O-N 3.15Å; K13-Y16 PolarHBondContact O-N 3.31Å; K13-Y16 VanDerWaalsContact O-N 3.13Å; Y16-F18 VanDerWaalsContact C-N 3.34Å; Y16-F18 PolarHBondContact O-N 3.16Å; Y16-L19 PolarHBondContact O-N 3.2Å; Y16-K20 HydrophobicContact CD1-CD 4.44Å; Y16-K20 HydrophobicContact CE1-CD 3.87Å; Y16-K20 VanDerWaalsContact O-CB 3.24Å; Y16-K20 WeakPolarHBondContact O-CB 3.25Å; Y16-K20 PolarHBondContact O-N 3.44Å |
| 17 | D | 68.6 | Low | 59.2 | Low | 78 Ų | 78 | 102.6 Ų | 102.6 | 42% | 0.417 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.2 | -29.3 | 179.1 | -79.6 | -52.1 | 0 | 0 | 0 | 112.6 | K13 K20 S21 | K13-D17 PolarHBondContact O-N 3.03Å; D17-K20 IonicContact OD1-NZ 3.22Å; D17-K20 PolarHBondContact OD1-NZ 3.34Å; D17-S21 VanDerWaalsContact O-CB 3.25Å; D17-S21 WeakPolarHBondContact O-CB 3.29Å; D17-S21 PolarHBondContact O-N 2.89Å; D17-S21 PolarHBondContact O-OG 3.44Å |
| 18 | F | 69.1 | Low | 61 | Low | 151 Ų | 151 | 97.5 Ų | 97.5 | 66% | 0.662 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.5 | -44.5 | 168.6 | -175.2 | -96.2 | 0 | 0 | 0 | 112 | N14 Y16 K20 S21 S22 | N14-F18 VanDerWaalsContact O-CB 3.25Å; N14-F18 WeakPolarHBondContact O-CB 3.41Å; N14-F18 PolarHBondContact O-N 3.45Å; Y16-F18 VanDerWaalsContact C-N 3.34Å; Y16-F18 PolarHBondContact O-N 3.16Å; F18-K20 PolarHBondContact O-N 3.15Å; F18-S21 PolarHBondContact O-N 2.72Å; F18-S22 VanDerWaalsContact O-CB 3.23Å; F18-S22 WeakPolarHBondContact O-CB 3.48Å; F18-S22 PolarHBondContact O-N 2.75Å |
| 19 | L | 65.4 | Low | 62.4 | Low | 106 Ų | 106 | 95.6 Ų | 95.6 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -41.7 | 175 | -80 | 169.1 | 0 | 0 | 0 | 112.1 | G15 Y16 S22 L23 | G15-L19 WeakPolarHBondContact O-CB 3.4Å; G15-L19 WeakPolarHBondContact O-CG 3.45Å; G15-L19 PolarHBondContact O-N 3.37Å; Y16-L19 PolarHBondContact O-N 3.2Å; L19-S22 PolarHBondContact O-N 2.8Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.25Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.4Å |
| 20 | K | 70.6 | Confident | 63.2 | Low | 111 Ų | 111 | 93.2 Ų | 93.2 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 176.4 | -180 | 179.9 | 163.2 | -159.4 | 0 | 112.1 | Y16 D17 F18 S24 | Y16-K20 HydrophobicContact CD1-CD 4.44Å; Y16-K20 HydrophobicContact CE1-CD 3.87Å; Y16-K20 VanDerWaalsContact O-CB 3.24Å; Y16-K20 WeakPolarHBondContact O-CB 3.25Å; Y16-K20 PolarHBondContact O-N 3.44Å; D17-K20 IonicContact OD1-NZ 3.22Å; D17-K20 PolarHBondContact OD1-NZ 3.34Å; F18-K20 PolarHBondContact O-N 3.15Å; K20-S24 WeakPolarHBondContact O-CB 3.23Å; K20-S24 PolarHBondContact O-N 2.82Å; K20-S24 PolarHBondContact O-OG 2.85Å |
| 21 | S | 68.6 | Low | 64.5 | Low | 71 Ų | 71 | 90.1 Ų | 90.1 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 172.8 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | D17 F18 S24 S25 | D17-S21 VanDerWaalsContact O-CB 3.25Å; D17-S21 WeakPolarHBondContact O-CB 3.29Å; D17-S21 PolarHBondContact O-N 2.89Å; D17-S21 PolarHBondContact O-OG 3.44Å; F18-S21 PolarHBondContact O-N 2.72Å; S21-S24 WeakPolarHBondContact CA-OG 3.28Å; S21-S24 PolarHBondContact O-N 3.48Å; S21-S24 PolarHBondContact O-OG 3.15Å; S21-S25 WeakPolarHBondContact O-CB 3.31Å; S21-S25 PolarHBondContact O-N 2.99Å; S21-S25 PolarHBondContact O-OG 3.25Å |
| 22 | S | 68.9 | Low | 66.1 | Low | 40 Ų | 40 | 89.1 Ų | 89.1 | 28% | 0.28 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.3 | -54.5 | 176.6 | -174 | 0 | 0 | 0 | 0 | 111.1 | F18 L19 S24 S25 I26 | F18-S22 VanDerWaalsContact O-CB 3.23Å; F18-S22 WeakPolarHBondContact O-CB 3.48Å; F18-S22 PolarHBondContact O-N 2.75Å; L19-S22 PolarHBondContact O-N 2.8Å; S22-S24 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 3.35Å; S22-S25 PolarHBondContact O-N 3.49Å; S22-S25 PolarHBondContact O-OG 2.94Å; S22-I26 VanDerWaalsContact O-CG1 3.29Å; S22-I26 WeakPolarHBondContact O-CG1 3.35Å; S22-I26 PolarHBondContact O-N 3.02Å; S22-I26 WeakPolarHBondContact OG-CD1 3.39Å |
| 23 | L | 64.9 | Low | 67.6 | Low | 96 Ų | 96 | 89.9 Ų | 89.9 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59 | -40 | 175.8 | -75.1 | 168.1 | 0 | 0 | 0 | 112.7 | L19 S25 I26 I27 | L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.25Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.4Å; L23-S25 VanDerWaalsContact C-N 3.27Å; L23-S25 PolarHBondContact O-N 2.83Å; L23-I26 PolarHBondContact O-N 3.46Å; L23-I27 WeakPolarHBondContact O-CB 3.43Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.2Å; L23-I27 PolarHBondContact O-N 2.99Å |
| 24 | S | 66.6 | Low | 68.6 | Low | 64 Ų | 64 | 92.7 Ų | 92.7 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.4 | -16.2 | 177.1 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | K20 S21 S22 R32 | K20-S24 WeakPolarHBondContact O-CB 3.23Å; K20-S24 PolarHBondContact O-N 2.82Å; K20-S24 PolarHBondContact O-OG 2.85Å; S21-S24 WeakPolarHBondContact CA-OG 3.28Å; S21-S24 PolarHBondContact O-N 3.48Å; S21-S24 PolarHBondContact O-OG 3.15Å; S22-S24 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 3.35Å; S24-R32 PolarHBondContact O-NH2 3.37Å |
| 25 | S | 64.2 | Low | 69.5 | Low | 92 Ų | 92 | 90.6 Ų | 90.6 | 64% | 0.643 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -87.1 | -32.6 | 168.3 | 77.3 | 0 | 0 | 0 | 0 | 113.5 | S21 S22 L23 | S21-S25 WeakPolarHBondContact O-CB 3.31Å; S21-S25 PolarHBondContact O-N 2.99Å; S21-S25 PolarHBondContact O-OG 3.25Å; S22-S25 PolarHBondContact O-N 3.49Å; S22-S25 PolarHBondContact O-OG 2.94Å; L23-S25 VanDerWaalsContact C-N 3.27Å; L23-S25 PolarHBondContact O-N 2.83Å |
| 26 | I | 69.1 | Low | 69.8 | Low | 111 Ų | 111 | 93 Ų | 93 | 57% | 0.569 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -79.6 | -41.3 | -179.4 | -68.3 | 164.5 | 0 | 0 | 0 | 111.1 | S22 L23 T28 | S22-I26 VanDerWaalsContact O-CG1 3.29Å; S22-I26 WeakPolarHBondContact O-CG1 3.35Å; S22-I26 PolarHBondContact O-N 3.02Å; S22-I26 WeakPolarHBondContact OG-CD1 3.39Å; L23-I26 PolarHBondContact O-N 3.46Å; I26-T28 PolarHBondContact O-N 3.15Å |
| 27 | I | 73 | Confident | 70.3 | Confident | 56 Ų | 56 | 87.9 Ų | 87.9 | 29% | 0.287 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -74.9 | 92.6 | 175.1 | -58.5 | 170.6 | 0 | 0 | 0 | 108 | L23 T31 R32 I35 | L23-I27 WeakPolarHBondContact O-CB 3.43Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.2Å; L23-I27 PolarHBondContact O-N 2.99Å; I27-T31 HydrophobicContact CG2-CG2 4.08Å; I27-R32 HydrophobicContact CG2-CG 3.63Å; I27-R32 PolarHBondContact O-NH2 3.13Å; I27-I35 HydrophobicContact CG2-CD1 4.44Å |
| 28 | T | 75.4 | Confident | 70.4 | Confident | 86 Ų | 86 | 89 Ų | 89 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | trans | -55.4 | 149.7 | 175 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | I26 D30 T31 R32 | I26-T28 PolarHBondContact O-N 3.15Å; T28-D30 HydrophobicContact CG2-CB 4.21Å; T28-D30 PolarHBondContact O-N 2.76Å; T28-T31 WeakPolarHBondContact O-CA 3.4Å; T28-T31 VanDerWaalsContact O-CB 3.23Å; T28-T31 WeakPolarHBondContact O-CB 3.25Å; T28-T31 PolarHBondContact O-N 2.95Å; T28-R32 PolarHBondContact O-N 3.04Å | ||
| 29 | Q | 74.1 | Confident | 70.7 | Confident | 116 Ų | 116 | 86.8 Ų | 86.8 | 54% | 0.542 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.8 | -35.1 | -179.2 | -173.4 | 60.7 | 21.4 | 0 | 0 | 112.6 | T31 R32 T33 | Q29-T31 VanDerWaalsContact C-N 3.34Å; Q29-T31 PolarHBondContact O-N 3.37Å; Q29-R32 WeakPolarHBondContact O-CB 3.44Å; Q29-R32 PolarHBondContact O-N 2.8Å; Q29-T33 PolarHBondContact O-N 3.34Å; Q29-T33 PolarHBondContact O-OG1 2.7Å |
| 30 | D | 66.2 | Low | 71.1 | Confident | 82 Ų | 82 | 88.7 Ų | 88.7 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 169.6 | 174 | 105.5 | 0 | 0 | 0 | 111.8 | T28 R32 T33 R34 | T28-D30 HydrophobicContact CG2-CB 4.21Å; T28-D30 PolarHBondContact O-N 2.76Å; D30-R32 VanDerWaalsContact C-N 3.35Å; D30-R32 PolarHBondContact O-N 3.26Å; D30-T33 WeakPolarHBondContact CA-OG1 3.32Å; D30-T33 PolarHBondContact O-N 2.89Å; D30-T33 PolarHBondContact O-OG1 3.41Å; D30-R34 WeakPolarHBondContact O-CG 3.24Å; D30-R34 PolarHBondContact O-N 2.75Å; D30-R34 IonicContact OD1-NE 2.71Å; D30-R34 IonicContact OD1-NH2 2.73Å; D30-R34 PolarHBondContact OD1-NH2 3.4Å; D30-R34 IonicContact OD2-CZ 3.33Å; D30-R34 IonicContact OD2-NE 3.41Å; D30-R34 PolarHBondContact OD2-NE 3.33Å; D30-R34 IonicContact OD2-NH2 3.1Å; D30-R34 PolarHBondContact OD2-NH2 3.41Å |
| 31 | T | 72.3 | Confident | 71 | Confident | 55 Ų | 55 | 87.1 Ų | 87.1 | 34% | 0.337 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 174.3 | -42.5 | 0 | 0 | 0 | 0 | 112.1 | I27 T28 Q29 R34 I35 | I27-T31 HydrophobicContact CG2-CG2 4.08Å; T28-T31 WeakPolarHBondContact O-CA 3.4Å; T28-T31 VanDerWaalsContact O-CB 3.23Å; T28-T31 WeakPolarHBondContact O-CB 3.25Å; T28-T31 PolarHBondContact O-N 2.95Å; Q29-T31 VanDerWaalsContact C-N 3.34Å; Q29-T31 PolarHBondContact O-N 3.37Å; T31-R34 PolarHBondContact O-N 2.85Å; T31-I35 HydrophobicContact CG2-CD1 4.2Å; T31-I35 VanDerWaalsContact O-CG1 3.31Å; T31-I35 WeakPolarHBondContact O-CG1 3.46Å; T31-I35 PolarHBondContact O-N 3.4Å |
| 32 | R | 72.6 | Confident | 70.7 | Confident | 88 Ų | 88 | 86 Ų | 86 | 33% | 0.332 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62 | -51.3 | 171.9 | -63.6 | -165.6 | -172.5 | 125 | 15.3 | 111.2 | S24 I27 T28 Q29 D30 R34 I35 D36 | S24-R32 PolarHBondContact O-NH2 3.37Å; I27-R32 HydrophobicContact CG2-CG 3.63Å; I27-R32 PolarHBondContact O-NH2 3.13Å; T28-R32 PolarHBondContact O-N 3.04Å; Q29-R32 WeakPolarHBondContact O-CB 3.44Å; Q29-R32 PolarHBondContact O-N 2.8Å; D30-R32 VanDerWaalsContact C-N 3.35Å; D30-R32 PolarHBondContact O-N 3.26Å; R32-R34 PolarHBondContact O-N 2.89Å; R32-R34 VanDerWaalsContact O-N 3.14Å; R32-I35 CarbonylContact O-C 3.57Å; R32-I35 WeakPolarHBondContact O-CA 3.47Å; R32-I35 WeakPolarHBondContact O-CB 3.23Å; R32-I35 PolarHBondContact O-N 3.29Å; R32-D36 PolarHBondContact O-N 3.49Å; R32-D36 VanDerWaalsContact O-OD2 3.1Å |
| 33 | T | 75.8 | Confident | 70.7 | Confident | 73 Ų | 73 | 87.1 Ų | 87.1 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.6 | -28.9 | 179.8 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | Q29 D30 A37 | Q29-T33 PolarHBondContact O-N 3.34Å; Q29-T33 PolarHBondContact O-OG1 2.7Å; D30-T33 WeakPolarHBondContact CA-OG1 3.32Å; D30-T33 PolarHBondContact O-N 2.89Å; D30-T33 PolarHBondContact O-OG1 3.41Å; T33-A37 WeakPolarHBondContact O-CB 3.35Å; T33-A37 PolarHBondContact O-N 2.69Å |
| 34 | R | 68.5 | Low | 70.8 | Confident | 155 Ų | 155 | 87 Ų | 87 | 59% | 0.585 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.6 | -43.4 | 169.3 | -67.1 | 178.8 | -154.9 | -144.4 | 1.5 | 112.5 | D30 T31 R32 A37 L38 | D30-R34 WeakPolarHBondContact O-CG 3.24Å; D30-R34 PolarHBondContact O-N 2.75Å; D30-R34 IonicContact OD1-NE 2.71Å; D30-R34 IonicContact OD1-NH2 2.73Å; D30-R34 PolarHBondContact OD1-NH2 3.4Å; D30-R34 IonicContact OD2-CZ 3.33Å; D30-R34 IonicContact OD2-NE 3.41Å; D30-R34 PolarHBondContact OD2-NE 3.33Å; D30-R34 IonicContact OD2-NH2 3.1Å; D30-R34 PolarHBondContact OD2-NH2 3.41Å; T31-R34 PolarHBondContact O-N 2.85Å; R32-R34 PolarHBondContact O-N 2.89Å; R32-R34 VanDerWaalsContact O-N 3.14Å; R34-A37 PolarHBondContact O-N 3.22Å; R34-L38 WeakPolarHBondContact O-CB 3.41Å; R34-L38 VanDerWaalsContact O-CG 3.25Å; R34-L38 WeakPolarHBondContact O-CG 3.46Å; R34-L38 PolarHBondContact O-N 3.13Å |
| 35 | I | 74.3 | Confident | 70.5 | Confident | 75 Ų | 75 | 85.3 Ų | 85.3 | 39% | 0.385 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 176 | -69.4 | 163.5 | 0 | 0 | 0 | 110.2 | I27 T31 R32 A37 L38 I39 | I27-I35 HydrophobicContact CG2-CD1 4.44Å; T31-I35 HydrophobicContact CG2-CD1 4.2Å; T31-I35 VanDerWaalsContact O-CG1 3.31Å; T31-I35 WeakPolarHBondContact O-CG1 3.46Å; T31-I35 PolarHBondContact O-N 3.4Å; R32-I35 CarbonylContact O-C 3.57Å; R32-I35 WeakPolarHBondContact O-CA 3.47Å; R32-I35 WeakPolarHBondContact O-CB 3.23Å; R32-I35 PolarHBondContact O-N 3.29Å; I35-A37 PolarHBondContact O-N 2.73Å; I35-L38 PolarHBondContact O-N 3.41Å; I35-I39 HydrophobicContact CG2-CD1 3.73Å; I35-I39 HydrophobicContact CG2-CG1 4.42Å; I35-I39 WeakPolarHBondContact O-CB 3.31Å; I35-I39 VanDerWaalsContact O-CG1 3.28Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 2.71Å |
| 36 | D | 73.9 | Confident | 70.8 | Confident | 89 Ų | 89 | 86 Ų | 86 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 178 | -59.7 | -36.7 | 0 | 0 | 0 | 111.3 | R32 I39 Q40 | R32-D36 PolarHBondContact O-N 3.49Å; R32-D36 VanDerWaalsContact O-OD2 3.1Å; D36-I39 PolarHBondContact O-N 2.87Å; D36-Q40 WeakPolarHBondContact O-CB 3.45Å; D36-Q40 PolarHBondContact O-N 3.22Å |
| 37 | A | 73.9 | Confident | 70.4 | Confident | 51 Ų | 51 | 84.2 Ų | 84.2 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | T33 R34 I35 Q40 E41 | T33-A37 WeakPolarHBondContact O-CB 3.35Å; T33-A37 PolarHBondContact O-N 2.69Å; R34-A37 PolarHBondContact O-N 3.22Å; I35-A37 PolarHBondContact O-N 2.73Å; A37-Q40 PolarHBondContact O-N 2.99Å; A37-E41 WeakPolarHBondContact O-CB 3.38Å; A37-E41 PolarHBondContact O-N 2.82Å |
| 38 | L | 71 | Confident | 69.8 | Low | 102 Ų | 102 | 83.8 Ų | 83.8 | 53% | 0.534 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 174 | -75 | 167.4 | 0 | 0 | 0 | 111.8 | R34 I35 Q40 E41 V42 | R34-L38 WeakPolarHBondContact O-CB 3.41Å; R34-L38 VanDerWaalsContact O-CG 3.25Å; R34-L38 WeakPolarHBondContact O-CG 3.46Å; R34-L38 PolarHBondContact O-N 3.13Å; I35-L38 PolarHBondContact O-N 3.41Å; L38-Q40 VanDerWaalsContact C-N 3.35Å; L38-E41 PolarHBondContact O-N 3.25Å; L38-V42 WeakPolarHBondContact O-CB 3.31Å; L38-V42 VanDerWaalsContact O-CG2 3.29Å; L38-V42 WeakPolarHBondContact O-CG2 3.3Å; L38-V42 PolarHBondContact O-N 3.44Å |
| 39 | I | 75.1 | Confident | 69.3 | Low | 104 Ų | 104 | 80.2 Ų | 80.2 | 53% | 0.533 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 173.2 | -71 | 166.5 | 0 | 0 | 0 | 110.1 | I35 D36 V42 A43 | I35-I39 HydrophobicContact CG2-CD1 3.73Å; I35-I39 HydrophobicContact CG2-CG1 4.42Å; I35-I39 WeakPolarHBondContact O-CB 3.31Å; I35-I39 VanDerWaalsContact O-CG1 3.28Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 2.71Å; D36-I39 PolarHBondContact O-N 2.87Å; I39-V42 PolarHBondContact O-N 3.18Å; I39-A43 WeakPolarHBondContact O-CB 3.37Å; I39-A43 PolarHBondContact O-N 3.01Å |
| 40 | Q | 73.2 | Confident | 68.8 | Low | 145 Ų | 145 | 77 Ų | 77 | 68% | 0.678 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66 | -39.8 | 176.7 | -168.6 | 173.3 | 27.3 | 0 | 0 | 112.2 | D36 A37 L38 A43 S44 | D36-Q40 WeakPolarHBondContact O-CB 3.45Å; D36-Q40 PolarHBondContact O-N 3.22Å; A37-Q40 PolarHBondContact O-N 2.99Å; L38-Q40 VanDerWaalsContact C-N 3.35Å; Q40-A43 PolarHBondContact O-N 2.93Å; Q40-S44 WeakPolarHBondContact O-CB 3.04Å; Q40-S44 PolarHBondContact O-N 3.15Å |
| 41 | E | 69.1 | Low | 68.6 | Low | 79 Ų | 79 | 73.4 Ų | 73.4 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.5 | -50.4 | 174.2 | -175.7 | 169.6 | -158.7 | 0 | 0 | 111 | A37 L38 A43 S44 L45 S103 | A37-E41 WeakPolarHBondContact O-CB 3.38Å; A37-E41 PolarHBondContact O-N 2.82Å; L38-E41 PolarHBondContact O-N 3.25Å; E41-A43 VanDerWaalsContact C-N 3.29Å; E41-A43 PolarHBondContact O-N 3.42Å; E41-S44 WeakPolarHBondContact O-CB 3.44Å; E41-S44 PolarHBondContact O-N 3.3Å; E41-S44 PolarHBondContact O-OG 2.96Å; E41-L45 PolarHBondContact O-N 3.02Å; E41-S103 WeakPolarHBondContact OE1-CB 3.2Å; E41-S103 PolarHBondContact OE1-OG 2.97Å |
| 42 | V | 63.2 | Low | 68 | Low | 48 Ų | 48 | 73.3 Ų | 73.3 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 177 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | L38 I39 S44 K50 F53 | L38-V42 WeakPolarHBondContact O-CB 3.31Å; L38-V42 VanDerWaalsContact O-CG2 3.29Å; L38-V42 WeakPolarHBondContact O-CG2 3.3Å; L38-V42 PolarHBondContact O-N 3.44Å; I39-V42 PolarHBondContact O-N 3.18Å; V42-S44 VanDerWaalsContact C-N 3.34Å; V42-K50 WeakPolarHBondContact O-CE 3.41Å; V42-F53 HydrophobicContact CG1-CE1 4.41Å; V42-F53 HydrophobicContact CG2-CE1 3.86Å; V42-F53 HydrophobicContact CG2-CE2 4.31Å; V42-F53 HydrophobicContact CG2-CZ 3.75Å |
| 43 | A | 67.8 | Low | 67.5 | Low | 62 Ų | 62 | 72 Ų | 72 | 51% | 0.512 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I39 Q40 E41 K50 | I39-A43 WeakPolarHBondContact O-CB 3.37Å; I39-A43 PolarHBondContact O-N 3.01Å; Q40-A43 PolarHBondContact O-N 2.93Å; E41-A43 VanDerWaalsContact C-N 3.29Å; E41-A43 PolarHBondContact O-N 3.42Å; A43-K50 WeakPolarHBondContact O-CE 3.44Å; A43-K50 PolarHBondContact O-NZ 3.03Å; A43-K50 VanDerWaalsContact O-NZ 3.08Å |
| 44 | S | 67.4 | Low | 66.7 | Low | 93 Ų | 93 | 72.4 Ų | 72.4 | 65% | 0.65 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -74 | -20.3 | 180 | 79.5 | 0 | 0 | 0 | 0 | 114.8 | Q40 E41 V42 | Q40-S44 WeakPolarHBondContact O-CB 3.04Å; Q40-S44 PolarHBondContact O-N 3.15Å; E41-S44 WeakPolarHBondContact O-CB 3.44Å; E41-S44 PolarHBondContact O-N 3.3Å; E41-S44 PolarHBondContact O-OG 2.96Å; V42-S44 VanDerWaalsContact C-N 3.34Å |
| 45 | L | 61.4 | Low | 66.1 | Low | 30 Ų | 30 | 66.8 Ų | 66.8 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -58 | 141.4 | 174.4 | -68.5 | 179.8 | 0 | 0 | 0 | 111 | E41 E49 K50 F53 | E41-L45 PolarHBondContact O-N 3.02Å; L45-E49 HydrophobicContact CB-CB 4.04Å; L45-E49 HydrophobicContact CD2-CB 4.18Å; L45-K50 HydrophobicContact CB-CG 3.7Å; L45-K50 HydrophobicContact CD1-CG 4.45Å; L45-K50 WeakPolarHBondContact O-CE 3.32Å; L45-K50 PolarHBondContact O-NZ 2.84Å; L45-F53 HydrophobicContact CD1-CB 4.37Å; L45-F53 HydrophobicContact CD1-CG 4.49Å |
| 46 | K | 69 | Low | 65.1 | Low | 106 Ų | 106 | 66.4 Ų | 66.4 | 46% | 0.461 | 37% | 0.367 | S | S | . | . | trans | -64.3 | 156.5 | 169.2 | -64.4 | 165.3 | -174.6 | 155.5 | 0 | 109.4 | V48 E49 K50 | K46-V48 VanDerWaalsContact C-N 3.28Å; K46-V48 PolarHBondContact O-N 3.23Å; K46-E49 HydrophobicContact CB-CG 4.29Å; K46-E49 VanDerWaalsContact CB-OE2 3.3Å; K46-E49 WeakPolarHBondContact CB-OE2 3.28Å; K46-E49 WeakPolarHBondContact CG-OE2 3.48Å; K46-E49 PolarHBondContact N-OE2 3.23Å; K46-E49 CarbonylContact O-C 3.57Å; K46-E49 WeakPolarHBondContact O-CA 3.25Å; K46-E49 VanDerWaalsContact O-CB 3.31Å; K46-E49 WeakPolarHBondContact O-CB 3.41Å; K46-E49 PolarHBondContact O-N 3.45Å; K46-K50 PolarHBondContact O-N 2.93Å | ||
| 47 | D | 62.1 | Low | 63.6 | Low | 74 Ų | 74 | 66.1 Ų | 66.1 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.7 | -30.2 | -170.4 | -60.9 | -56.6 | 0 | 0 | 0 | 113.6 | E49 K50 L51 Y285 V289 | D47-E49 VanDerWaalsContact C-N 3.3Å; D47-E49 PolarHBondContact O-N 2.83Å; D47-K50 PolarHBondContact O-N 3.43Å; D47-K50 WeakPolarHBondContact OD1-CD 3.41Å; D47-K50 IonicContact OD1-NZ 2.66Å; D47-K50 PolarHBondContact OD1-NZ 3.24Å; D47-L51 WeakPolarHBondContact O-CB 3.18Å; D47-L51 PolarHBondContact O-N 2.94Å; D47-Y285 WeakPolarHBondContact CA-OH 3.37Å; D47-Y285 HydrophobicContact CB-CE1 4.2Å; D47-Y285 WeakPolarHBondContact CB-OH 3.47Å; D47-Y285 VanDerWaalsContact CG-OH 3.29Å; D47-Y285 WeakPolarHBondContact O-CE1 3.12Å; D47-Y285 PolarHBondContact O-OH 3.11Å; D47-Y285 PolarHBondContact OD1-OH 3.18Å; D47-V289 HydrophobicContact CB-CG2 3.53Å |
| 48 | V | 60.6 | Low | 62 | Low | 46 Ų | 46 | 67.3 Ų | 67.3 | 28% | 0.279 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -33.7 | 168.3 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | K46 L52 V289 | K46-V48 VanDerWaalsContact C-N 3.28Å; K46-V48 PolarHBondContact O-N 3.23Å; V48-L52 WeakPolarHBondContact O-CB 3.49Å; V48-L52 PolarHBondContact O-N 3.17Å; V48-V289 HydrophobicContact CG2-CG1 3.91Å |
| 49 | E | 63.2 | Low | 60.5 | Low | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.056 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -75.3 | -36.4 | 177.8 | -63.6 | 168.2 | 145.2 | 0 | 0 | 111.3 | L45 K46 D47 L52 F53 S107 V110 | L45-E49 HydrophobicContact CB-CB 4.04Å; L45-E49 HydrophobicContact CD2-CB 4.18Å; K46-E49 HydrophobicContact CB-CG 4.29Å; K46-E49 VanDerWaalsContact CB-OE2 3.3Å; K46-E49 WeakPolarHBondContact CB-OE2 3.28Å; K46-E49 WeakPolarHBondContact CG-OE2 3.48Å; K46-E49 PolarHBondContact N-OE2 3.23Å; K46-E49 CarbonylContact O-C 3.57Å; K46-E49 WeakPolarHBondContact O-CA 3.25Å; K46-E49 VanDerWaalsContact O-CB 3.31Å; K46-E49 WeakPolarHBondContact O-CB 3.41Å; K46-E49 PolarHBondContact O-N 3.45Å; D47-E49 VanDerWaalsContact C-N 3.3Å; D47-E49 PolarHBondContact O-N 2.83Å; E49-L52 PolarHBondContact O-N 3.29Å; E49-F53 WeakPolarHBondContact O-CB 3.22Å; E49-F53 PolarHBondContact O-N 3.43Å; E49-S107 WeakPolarHBondContact OE1-CA 3.47Å; E49-S107 VanDerWaalsContact OE1-CB 3.24Å; E49-S107 WeakPolarHBondContact OE1-CB 3.33Å; E49-S107 PolarHBondContact OE1-OG 3.49Å; E49-V110 HydrophobicContact CG-CG2 4.32Å |
| 50 | K | 64 | Low | 58.7 | Low | 47 Ų | 47 | 69.6 Ų | 69.6 | 20% | 0.204 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 170.1 | -67.9 | 169.9 | 177.1 | 127.6 | 0 | 111.8 | V42 A43 L45 K46 D47 L52 F53 C54 Y285 | V42-K50 WeakPolarHBondContact O-CE 3.41Å; A43-K50 WeakPolarHBondContact O-CE 3.44Å; A43-K50 PolarHBondContact O-NZ 3.03Å; A43-K50 VanDerWaalsContact O-NZ 3.08Å; L45-K50 HydrophobicContact CB-CG 3.7Å; L45-K50 HydrophobicContact CD1-CG 4.45Å; L45-K50 WeakPolarHBondContact O-CE 3.32Å; L45-K50 PolarHBondContact O-NZ 2.84Å; K46-K50 PolarHBondContact O-N 2.93Å; D47-K50 PolarHBondContact O-N 3.43Å; D47-K50 WeakPolarHBondContact OD1-CD 3.41Å; D47-K50 IonicContact OD1-NZ 2.66Å; D47-K50 PolarHBondContact OD1-NZ 3.24Å; K50-L52 VanDerWaalsContact C-N 3.3Å; K50-L52 PolarHBondContact O-N 3.07Å; K50-F53 WeakPolarHBondContact O-CB 3.07Å; K50-F53 PolarHBondContact O-N 3.08Å; K50-C54 PolarHBondContact O-N 3.41Å; K50-C54 PolarHBondContact O-SG 2.99Å; K50-C54 VanDerWaalsContact O-SG 3.39Å; K50-Y285 HydrophobicContact CB-CE1 4.42Å; K50-Y285 VanDerWaalsContact CB-OH 3.31Å; K50-Y285 WeakPolarHBondContact CB-OH 3.45Å; K50-Y285 WeakPolarHBondContact CD-OH 3.35Å |
| 51 | L | 61.7 | Low | 56.8 | Low | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.037 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 174 | -128.9 | 165.7 | 0 | 0 | 0 | 111.1 | D47 L55 L282 Y285 V289 F290 | D47-L51 WeakPolarHBondContact O-CB 3.18Å; D47-L51 PolarHBondContact O-N 2.94Å; L51-L55 HydrophobicContact CD2-CD1 3.72Å; L51-L55 HydrophobicContact CD2-CG 4.41Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 2.77Å; L51-L282 HydrophobicContact CD2-CD2 4.08Å; L51-Y285 HydrophobicContact CB-CD1 4.38Å; L51-Y285 HydrophobicContact CB-CE1 4.09Å; L51-Y285 HydrophobicContact CD1-CD1 3.81Å; L51-Y285 HydrophobicContact CD1-CE1 4.13Å; L51-Y285 HydrophobicContact CG-CD1 3.71Å; L51-Y285 HydrophobicContact CG-CE1 3.93Å; L51-V289 HydrophobicContact CD1-CG2 4.47Å; L51-F290 HydrophobicContact CD1-CE2 4.26Å |
| 52 | L | 61.3 | Low | 55.2 | Low | 53 Ų | 53 | 71.7 Ų | 71.7 | 28% | 0.277 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.9 | -171.4 | 66 | 0 | 0 | 0 | 111.8 | V48 E49 K50 L55 L56 V110 | V48-L52 WeakPolarHBondContact O-CB 3.49Å; V48-L52 PolarHBondContact O-N 3.17Å; E49-L52 PolarHBondContact O-N 3.29Å; K50-L52 VanDerWaalsContact C-N 3.3Å; K50-L52 PolarHBondContact O-N 3.07Å; L52-L55 CarbonylContact O-C 3.53Å; L52-L55 PolarHBondContact O-N 2.65Å; L52-L56 HydrophobicContact CD1-CD1 3.83Å; L52-L56 HydrophobicContact CG-CD1 4.28Å; L52-L56 HydrophobicContact CG-CD2 4.35Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 WeakPolarHBondContact O-CD1 3.5Å; L52-L56 PolarHBondContact O-N 2.79Å; L52-L56 VanDerWaalsContact O-N 3.09Å; L52-V110 HydrophobicContact CD2-CG2 4.31Å |
| 53 | F | 61.1 | Low | 53.8 | Low | 60 Ų | 60 | 78 Ų | 78 | 26% | 0.263 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.2 | -52.1 | 176.8 | -178.9 | -98.3 | 0 | 0 | 0 | 111.7 | V42 L45 E49 K50 L55 L56 L57 | V42-F53 HydrophobicContact CG1-CE1 4.41Å; V42-F53 HydrophobicContact CG2-CE1 3.86Å; V42-F53 HydrophobicContact CG2-CE2 4.31Å; V42-F53 HydrophobicContact CG2-CZ 3.75Å; L45-F53 HydrophobicContact CD1-CB 4.37Å; L45-F53 HydrophobicContact CD1-CG 4.49Å; E49-F53 WeakPolarHBondContact O-CB 3.22Å; E49-F53 PolarHBondContact O-N 3.43Å; K50-F53 WeakPolarHBondContact O-CB 3.07Å; K50-F53 PolarHBondContact O-N 3.08Å; F53-L55 PolarHBondContact O-N 3.11Å; F53-L56 PolarHBondContact O-N 3.14Å; F53-L57 HydrophobicContact CD1-CD1 4.37Å; F53-L57 HydrophobicContact CD1-CG 4.48Å; F53-L57 HydrophobicContact CE1-CD1 4Å; F53-L57 HydrophobicContact CE1-CD2 4.13Å; F53-L57 HydrophobicContact CE1-CG 4.27Å; F53-L57 HydrophobicContact CE2-CD2 4.18Å; F53-L57 HydrophobicContact CZ-CD2 3.86Å; F53-L57 HydrophobicContact CZ-CG 4.49Å; F53-L57 PolarHBondContact O-N 2.92Å |
| 54 | C | 58.1 | Low | 52.1 | Low | 82 Ų | 82 | 80 Ų | 80 | 55% | 0.554 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.6 | -26.2 | 176.7 | -66.7 | 0 | 0 | 0 | 0 | 113.4 | K50 | K50-C54 PolarHBondContact O-N 3.41Å; K50-C54 PolarHBondContact O-SG 2.99Å; K50-C54 VanDerWaalsContact O-SG 3.39Å |
| 55 | L | 57.1 | Low | 50.3 | Low | 38 Ų | 38 | 81.4 Ų | 81.4 | 20% | 0.199 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.7 | 175.2 | -67.4 | 172.5 | 0 | 0 | 0 | 114.1 | L51 L52 F53 L282 H316 | L51-L55 HydrophobicContact CD2-CD1 3.72Å; L51-L55 HydrophobicContact CD2-CG 4.41Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 2.77Å; L52-L55 CarbonylContact O-C 3.53Å; L52-L55 PolarHBondContact O-N 2.65Å; F53-L55 PolarHBondContact O-N 3.11Å; L55-L282 HydrophobicContact CD2-CD1 4.12Å; L55-L282 HydrophobicContact CD2-CD2 4.22Å; L55-L282 HydrophobicContact CG-CD2 4.38Å; L55-H316 PolarHBondContact O-CE1 3.35Å; L55-H316 PolarHBondContact O-ND1 2.9Å |
| 56 | L | 52.4 | Low | 48.7 | Very low | 67 Ų | 67 | 87.5 Ų | 87.5 | 35% | 0.351 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -10 | -179 | -102.7 | 63.2 | 0 | 0 | 0 | 114.8 | L52 F53 P58 | L52-L56 HydrophobicContact CD1-CD1 3.83Å; L52-L56 HydrophobicContact CG-CD1 4.28Å; L52-L56 HydrophobicContact CG-CD2 4.35Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 WeakPolarHBondContact O-CD1 3.5Å; L52-L56 PolarHBondContact O-N 2.79Å; L52-L56 VanDerWaalsContact O-N 3.09Å; F53-L56 PolarHBondContact O-N 3.14Å; L56-P58 WeakPolarHBondContact O-CD 3.38Å |
| 57 | L | 43.4 | Very low | 46.7 | Very low | 83 Ų | 83 | 86.7 Ų | 86.7 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 122.9 | 179.6 | -75.2 | 175.5 | 0 | 0 | 0 | 111.8 | F53 | F53-L57 HydrophobicContact CD1-CD1 4.37Å; F53-L57 HydrophobicContact CD1-CG 4.48Å; F53-L57 HydrophobicContact CE1-CD1 4Å; F53-L57 HydrophobicContact CE1-CD2 4.13Å; F53-L57 HydrophobicContact CE1-CG 4.27Å; F53-L57 HydrophobicContact CE2-CD2 4.18Å; F53-L57 HydrophobicContact CZ-CD2 3.86Å; F53-L57 HydrophobicContact CZ-CG 4.49Å; F53-L57 PolarHBondContact O-N 2.92Å |
| 58 | P | 39.2 | Very low | 44.9 | Very low | 76 Ų | 76 | 92.2 Ų | 92.2 | 49% | 0.494 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 141.5 | 167.1 | -13.9 | 29.9 | 0 | 0 | 0 | 110.4 | L56 | L56-P58 WeakPolarHBondContact O-CD 3.38Š|
| 59 | V | 40.7 | Very low | 43.4 | Very low | 122 Ų | 122 | 94 Ų | 94 | 74% | 0.739 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -96.8 | 119.2 | 170.5 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | ||
| 60 | D | 37.5 | Very low | 41.7 | Very low | 131 Ų | 131 | 101.2 Ų | 101.2 | 70% | 0.701 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 130.8 | 180 | -69.6 | -49.9 | 0 | 0 | 0 | 112 | T62 | D60-T62 HydrophobicContact CB-CG2 4.41Š|
| 61 | N | 33.4 | Very low | 40.1 | Very low | 153 Ų | 153 | 104.4 Ų | 104.4 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -106.8 | 85 | -176.8 | -175 | 31.1 | 0 | 0 | 0 | 111 | ||||
| 62 | T | 34 | Very low | 38.6 | Very low | 116 Ų | 116 | 109.5 Ų | 109.5 | 71% | 0.712 | 63% | 0.63 | S | S | * | * | trans | -110.5 | 60.4 | -166.5 | 46.5 | 0 | 0 | 0 | 0 | 114.7 | D60 | D60-T62 HydrophobicContact CB-CG2 4.41Š| ||
| 63 | H | 34 | Very low | 37.1 | Very low | 180 Ų | 180 | 116 Ų | 116 | 83% | 0.833 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -130.9 | 134.7 | 160.9 | -69.4 | -65.1 | 0 | 0 | 0 | 111.7 | ||
| 64 | S | 33.6 | Very low | 35.4 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 68.7 | 74.7 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 117.5 | H66 | S64-H66 PolarHBondContact O-N 3.48Š|
| 65 | S | 29.5 | Very low | 34.1 | Very low | 121 Ų | 121 | 122 Ų | 122 | 85% | 0.846 | 69% | 0.692 | S | S | * | * | trans | -39.6 | 116.7 | 168 | -43.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 66 | H | 27.2 | Very low | 33 | Very low | 159 Ų | 159 | 125 Ų | 125 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | -166.3 | 161.9 | 137.8 | 39.8 | -79.1 | 0 | 0 | 0 | 112.2 | S64 | S64-H66 PolarHBondContact O-N 3.48Š| ||
| 67 | C | 25.7 | Very low | 32 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | trans | 45.9 | 70.5 | 172.7 | 60.4 | 0 | 0 | 0 | 0 | 118.8 | S69 | C67-S69 PolarHBondContact O-N 2.77Å; C67-S69 VanDerWaalsContact O-N 3.16Å | ||
| 68 | L | 26.1 | Very low | 31.5 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 99% | 0.99 | 76% | 0.763 | S | S | * | * | trans | -80.7 | 70 | 150.7 | -79.8 | 175.2 | 0 | 0 | 0 | 110.2 | ||||
| 69 | S | 28.9 | Very low | 31.2 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 59% | 0.587 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -159.9 | 109.5 | 179.8 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | C67 | C67-S69 PolarHBondContact O-N 2.77Å; C67-S69 VanDerWaalsContact O-N 3.16Å |
| 70 | N | 25.8 | Very low | 31.1 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | 33.3 | 94.7 | 171.4 | -68.2 | 18 | 0 | 0 | 0 | 118 | ||||
| 71 | T | 32.5 | Very low | 30.7 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -113.1 | 83.2 | 160.1 | 42.9 | 0 | 0 | 0 | 0 | 111.3 | F73 | T71-F73 PolarHBondContact O-N 3.47Š| ||
| 72 | S | 30 | Very low | 30.8 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -61.2 | 119.1 | 164.5 | -62.1 | 0 | 0 | 0 | 0 | 109.6 | G74 | S72-G74 PolarHBondContact O-N 3.22Š| ||
| 73 | F | 28.2 | Very low | 30.5 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -73.9 | 78.2 | 164 | -83.4 | -82.4 | 0 | 0 | 0 | 109.5 | T71 F75 | T71-F73 PolarHBondContact O-N 3.47Å; F73-F75 PolarHBondContact O-N 2.82Å; F73-F75 VanDerWaalsContact O-N 3.13Å | ||
| 74 | G | 26.4 | Very low | 30.5 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | -71 | 99.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | S72 A76 | S72-G74 PolarHBondContact O-N 3.22Å; G74-A76 PolarHBondContact O-N 2.93Å | ||
| 75 | F | 29.8 | Very low | 30.2 | Very low | 203 Ų | 203 | 132.8 Ų | 132.8 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -69.5 | 117 | 152.9 | -74.9 | -88.8 | 0 | 0 | 0 | 107.4 | F73 | F73-F75 PolarHBondContact O-N 2.82Å; F73-F75 VanDerWaalsContact O-N 3.13Å | ||
| 76 | A | 34.4 | Very low | 30.7 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -105.7 | 126.1 | -179 | 0 | 0 | 0 | 0 | 0 | 110.1 | G74 | G74-A76 PolarHBondContact O-N 2.93Š| ||
| 77 | G | 31.4 | Very low | 31.2 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 83.2 | 132.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 78 | D | 34 | Very low | 31.9 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | cis | -148.4 | 173.9 | 1.1 | -148.6 | -10.1 | 0 | 0 | 0 | 111.9 | ||||
| 79 | E | 31.5 | Very low | 32.4 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -64.7 | 127.3 | -163.9 | -172.8 | 176.4 | 101.8 | 0 | 0 | 116.7 | ||||
| 80 | L | 38.7 | Very low | 33.1 | Very low | 166 Ų | 166 | 135 Ų | 135 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -160.5 | 127.5 | 147.4 | -170.7 | 60.5 | 0 | 0 | 0 | 112.4 | ||||
| 81 | E | 29.1 | Very low | 33.8 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -79.8 | 131.1 | 177.2 | -62.7 | -173.7 | 103.4 | 0 | 0 | 114 | ||||
| 82 | V | 36.5 | Very low | 34 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -144.2 | 122.9 | 142.9 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 83 | S | 28.2 | Very low | 34.6 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -82.2 | 121.1 | 178.9 | -78.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 84 | S | 33.6 | Very low | 34.9 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -167.4 | 119.2 | 143.2 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | Y86 | S84-Y86 WeakPolarHBondContact O-CD1 3.29Š| ||
| 85 | G | 27.1 | Very low | 35.8 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -77 | 135.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 86 | Y | 38.9 | Very low | 36.2 | Very low | 178 Ų | 178 | 123.8 Ų | 123.8 | 70% | 0.698 | 74% | 0.735 | S | S | * | * | trans | -148.5 | 108.1 | 166.2 | 50.8 | -89.5 | 0 | 0 | 0 | 111.3 | S84 V88 | S84-Y86 WeakPolarHBondContact O-CD1 3.29Å; Y86-V88 HydrophobicContact CD2-CG1 4.05Å; Y86-V88 HydrophobicContact CE2-CG1 4.3Å; Y86-V88 PolarHBondContact O-N 3.19Å | ||
| 87 | D | 38.3 | Very low | 36.2 | Very low | 150 Ų | 150 | 123 Ų | 123 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | trans | -70.4 | 100.7 | -178.1 | -61.6 | -77.3 | 0 | 0 | 0 | 112.3 | N89 | D87-N89 PolarHBondContact O-N 3.18Š| ||
| 88 | V | 40.3 | Very low | 36.4 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 65% | 0.648 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -74.2 | -6.1 | 179.8 | -87.5 | 0 | 0 | 0 | 0 | 114.6 | Y86 S90 | Y86-V88 HydrophobicContact CD2-CG1 4.05Å; Y86-V88 HydrophobicContact CE2-CG1 4.3Å; Y86-V88 PolarHBondContact O-N 3.19Å; V88-S90 PolarHBondContact O-N 3.03Å |
| 89 | N | 37.5 | Very low | 36.3 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -75.2 | 0.1 | -177.9 | -66 | -8.7 | 0 | 0 | 0 | 114.6 | D87 | D87-N89 PolarHBondContact O-N 3.18Š|
| 90 | S | 43.2 | Very low | 36.5 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -100.6 | 5.3 | -170.8 | -161.9 | 0 | 0 | 0 | 0 | 115.2 | V88 | V88-S90 PolarHBondContact O-N 3.03Š|
| 91 | L | 40.5 | Very low | 36.7 | Very low | 115 Ų | 115 | 114.6 Ų | 114.6 | 60% | 0.602 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -128.5 | 16.2 | -173.7 | -68.9 | 174.3 | 0 | 0 | 0 | 115 | R313 | L91-R313 VanDerWaalsContact CD1-NH1 3.33Š|
| 92 | G | 36.5 | Very low | 37.2 | Very low | 47 Ų | 47 | 109.8 Ų | 109.8 | 49% | 0.485 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -147.4 | 160.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | G94 | G92-G94 PolarHBondContact O-N 3.36Š|
| 93 | I | 42 | Very low | 37.3 | Very low | 174 Ų | 174 | 105.5 Ų | 105.5 | 89% | 0.892 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 68.9 | -23.5 | -180 | -51.7 | 175.3 | 0 | 0 | 0 | 115.2 | L95 | I93-L95 PolarHBondContact O-N 3.3Š|
| 94 | G | 34.6 | Very low | 38.1 | Very low | 52 Ų | 52 | 106.6 Ų | 106.6 | 54% | 0.536 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -68.7 | 0.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | G92 | G92-G94 PolarHBondContact O-N 3.36Š|
| 95 | L | 44.8 | Very low | 38.7 | Very low | 74 Ų | 74 | 107.5 Ų | 107.5 | 39% | 0.387 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -79.5 | -19.8 | -164.7 | -138 | 143.9 | 0 | 0 | 0 | 114.5 | I93 | I93-L95 PolarHBondContact O-N 3.3Š|
| 96 | F | 38.8 | Very low | 39.7 | Very low | 152 Ų | 152 | 107.1 Ų | 107.1 | 67% | 0.667 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -117.1 | 20.5 | -179.4 | -67.1 | -69.4 | 0 | 0 | 0 | 114.4 | P98 | F96-P98 WeakPolarHBondContact O-CD 3.38Š|
| 97 | S | 34.7 | Very low | 40.3 | Very low | 84 Ų | 84 | 100.2 Ų | 100.2 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | trans | -62.9 | 124.5 | 171.6 | -68.3 | 0 | 0 | 0 | 0 | 110.5 | G99 | S97-G99 PolarHBondContact O-N 3.45Š| ||
| 98 | P | 34.8 | Very low | 41.9 | Very low | 143 Ų | 143 | 95.5 Ų | 95.5 | 93% | 0.929 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -74.4 | 74.3 | -179 | 30.8 | -35.3 | 0 | 0 | 0 | 110.8 | F96 | F96-P98 WeakPolarHBondContact O-CD 3.38Š|
| 99 | G | 33.8 | Very low | 43.4 | Very low | 50 Ų | 50 | 95.2 Ų | 95.2 | 52% | 0.515 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -157.8 | 19.1 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | S97 Q101 | S97-G99 PolarHBondContact O-N 3.45Å; G99-Q101 VanDerWaalsContact C-N 3.3Å; G99-Q101 PolarHBondContact O-N 2.9Å |
| 100 | G | 35.1 | Very low | 45.2 | Very low | 83 Ų | 83 | 88.8 Ų | 88.8 | 86% | 0.856 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 59.1 | 14.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 101 | Q | 41.9 | Very low | 47.1 | Very low | 135 Ų | 135 | 84.1 Ų | 84.1 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | trans | -126.2 | -5.3 | -174.1 | -66.6 | -176.1 | 39.3 | 0 | 0 | 115.3 | G99 H105 | G99-Q101 VanDerWaalsContact C-N 3.3Å; G99-Q101 PolarHBondContact O-N 2.9Å; Q101-H105 PolarHBondContact O-ND1 3.48Å | ||
| 102 | S | 40 | Very low | 49.2 | Very low | 72 Ų | 72 | 79.9 Ų | 79.9 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | -171.8 | 40.8 | 0 | 0 | 0 | 0 | 114.2 | L104 H105 L106 | S102-L104 PolarHBondContact O-N 3.4Å; S102-H105 WeakPolarHBondContact O-CB 3.35Å; S102-H105 PolarHBondContact O-N 2.83Å; S102-H105 VanDerWaalsContact O-N 3.11Å; S102-L106 PolarHBondContact O-N 2.95Å |
| 103 | S | 39.9 | Very low | 51.4 | Low | 50 Ų | 50 | 79.5 Ų | 79.5 | 35% | 0.35 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.9 | -48.4 | -175.8 | -167.6 | 0 | 0 | 0 | 0 | 113.5 | E41 H105 L106 S107 | E41-S103 WeakPolarHBondContact OE1-CB 3.2Å; E41-S103 PolarHBondContact OE1-OG 2.97Å; S103-H105 PolarHBondContact O-N 3.2Å; S103-L106 PolarHBondContact O-N 2.85Å; S103-L106 VanDerWaalsContact O-N 3.1Å; S103-S107 PolarHBondContact O-N 3.44Å |
| 104 | L | 43.3 | Very low | 53.4 | Low | 139 Ų | 139 | 73.7 Ų | 73.7 | 73% | 0.728 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.7 | -28.2 | 178.4 | -63.1 | 177.7 | 0 | 0 | 0 | 113.4 | S102 N108 | S102-L104 PolarHBondContact O-N 3.4Å; L104-N108 VanDerWaalsContact O-CB 3.23Å; L104-N108 WeakPolarHBondContact O-CB 3.45Å; L104-N108 PolarHBondContact O-N 3.35Å |
| 105 | H | 47.4 | Very low | 56 | Low | 121 Ų | 121 | 71.2 Ų | 71.2 | 56% | 0.56 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -77.1 | -31.8 | 178.4 | -72.1 | 91.3 | 0 | 0 | 0 | 112.4 | Q101 S102 S103 Q109 | Q101-H105 PolarHBondContact O-ND1 3.48Å; S102-H105 WeakPolarHBondContact O-CB 3.35Å; S102-H105 PolarHBondContact O-N 2.83Å; S102-H105 VanDerWaalsContact O-N 3.11Å; S103-H105 PolarHBondContact O-N 3.2Å; H105-Q109 WeakPolarHBondContact O-CG 3.5Å; H105-Q109 PolarHBondContact O-N 3.16Å |
| 106 | L | 47.4 | Very low | 58.1 | Low | 69 Ų | 69 | 72.4 Ų | 72.4 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -73.8 | -48.1 | -177.8 | -142.5 | 75.6 | 0 | 0 | 0 | 111.7 | S102 S103 N108 Q109 V110 | S102-L106 PolarHBondContact O-N 2.95Å; S103-L106 PolarHBondContact O-N 2.85Å; S103-L106 VanDerWaalsContact O-N 3.1Å; L106-N108 VanDerWaalsContact C-N 3.31Å; L106-N108 PolarHBondContact O-N 2.92Å; L106-Q109 WeakPolarHBondContact O-CB 3.27Å; L106-Q109 PolarHBondContact O-N 3.48Å; L106-Q109 VanDerWaalsContact O-N 3.11Å; L106-V110 PolarHBondContact O-N 3.28Å; L106-V110 VanDerWaalsContact O-N 3.14Å |
| 107 | S | 52.6 | Low | 60.4 | Low | 34 Ų | 34 | 67.5 Ų | 67.5 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 177.5 | -160.8 | 0 | 0 | 0 | 0 | 111.7 | E49 S103 Q109 V110 E111 | E49-S107 WeakPolarHBondContact OE1-CA 3.47Å; E49-S107 VanDerWaalsContact OE1-CB 3.24Å; E49-S107 WeakPolarHBondContact OE1-CB 3.33Å; E49-S107 PolarHBondContact OE1-OG 3.49Å; S103-S107 PolarHBondContact O-N 3.44Å; S107-Q109 VanDerWaalsContact C-N 3.34Å; S107-Q109 PolarHBondContact O-N 3.36Å; S107-V110 PolarHBondContact O-N 3.25Å; S107-V110 VanDerWaalsContact O-N 3.16Å; S107-E111 WeakPolarHBondContact O-CG 3.3Å; S107-E111 PolarHBondContact O-N 2.85Å |
| 108 | N | 70.6 | Confident | 63.1 | Low | 51 Ų | 51 | 63.8 Ų | 63.8 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.3 | -31.6 | 174.4 | -161.8 | -27.2 | 0 | 0 | 0 | 112.4 | L104 L106 Q112 | L104-N108 VanDerWaalsContact O-CB 3.23Å; L104-N108 WeakPolarHBondContact O-CB 3.45Å; L104-N108 PolarHBondContact O-N 3.35Å; L106-N108 VanDerWaalsContact C-N 3.31Å; L106-N108 PolarHBondContact O-N 2.92Å; N108-Q112 VanDerWaalsContact O-CB 3.28Å; N108-Q112 WeakPolarHBondContact O-CB 3.48Å; N108-Q112 WeakPolarHBondContact O-CG 3.41Å; N108-Q112 PolarHBondContact O-N 2.84Å; N108-Q112 PolarHBondContact O-NE2 3.09Å; N108-Q112 PolarHBondContact OD1-NE2 3.23Å |
| 109 | Q | 71.5 | Confident | 65.8 | Low | 100 Ų | 100 | 57 Ų | 57 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 171 | -72.6 | -104.6 | 54.2 | 0 | 0 | 112.5 | H105 L106 S107 Q112 S113 | H105-Q109 WeakPolarHBondContact O-CG 3.5Å; H105-Q109 PolarHBondContact O-N 3.16Å; L106-Q109 WeakPolarHBondContact O-CB 3.27Å; L106-Q109 PolarHBondContact O-N 3.48Å; L106-Q109 VanDerWaalsContact O-N 3.11Å; S107-Q109 VanDerWaalsContact C-N 3.34Å; S107-Q109 PolarHBondContact O-N 3.36Å; Q109-Q112 PolarHBondContact O-N 3.33Å; Q109-S113 PolarHBondContact O-N 2.86Å |
| 110 | V | 75.9 | Confident | 68.3 | Low | 17 Ų | 17 | 57.9 Ų | 57.9 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.2 | -44.8 | 175.5 | 174.7 | 0 | 0 | 0 | 0 | 111 | E49 L52 L106 S107 Q112 S113 Q114 | E49-V110 HydrophobicContact CG-CG2 4.32Å; L52-V110 HydrophobicContact CD2-CG2 4.31Å; L106-V110 PolarHBondContact O-N 3.28Å; L106-V110 VanDerWaalsContact O-N 3.14Å; S107-V110 PolarHBondContact O-N 3.25Å; S107-V110 VanDerWaalsContact O-N 3.16Å; V110-Q112 VanDerWaalsContact C-N 3.29Å; V110-Q112 PolarHBondContact O-N 3.5Å; V110-S113 PolarHBondContact O-N 3.38Å; V110-S113 PolarHBondContact O-OG 2.87Å; V110-Q114 WeakPolarHBondContact O-CB 3.38Å; V110-Q114 VanDerWaalsContact O-CG 3.24Å; V110-Q114 WeakPolarHBondContact O-CG 3.47Å; V110-Q114 PolarHBondContact O-N 3.41Å |
| 111 | E | 82.7 | Confident | 70.6 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 2% | 0.023 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -36 | 174.7 | -67.3 | 173.6 | 178.1 | 0 | 0 | 111.7 | S107 A115 K150 L152 | S107-E111 WeakPolarHBondContact O-CG 3.3Å; S107-E111 PolarHBondContact O-N 2.85Å; E111-A115 WeakPolarHBondContact O-CB 3.18Å; E111-A115 PolarHBondContact O-N 2.83Å; E111-K150 WeakPolarHBondContact OE1-CB 3.24Å; E111-K150 VanDerWaalsContact OE1-CD 3.28Å; E111-K150 WeakPolarHBondContact OE1-CD 3.46Å; E111-K150 VanDerWaalsContact OE1-CG 3.32Å; E111-K150 WeakPolarHBondContact OE1-CG 3.38Å; E111-K150 IonicContact OE1-NZ 2.66Å; E111-K150 PolarHBondContact OE1-NZ 2.82Å; E111-K150 IonicContact OE2-NZ 2.8Å; E111-K150 PolarHBondContact OE2-NZ 2.84Å; E111-L152 HydrophobicContact CB-CD2 3.55Å; E111-L152 HydrophobicContact CB-CG 4.17Å |
| 112 | Q | 84.4 | Confident | 72.7 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 12% | 0.121 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 172.8 | -75.7 | 175.2 | 53.9 | 0 | 0 | 113.7 | N108 Q109 V110 Y116 L152 V160 | N108-Q112 VanDerWaalsContact O-CB 3.28Å; N108-Q112 WeakPolarHBondContact O-CB 3.48Å; N108-Q112 WeakPolarHBondContact O-CG 3.41Å; N108-Q112 PolarHBondContact O-N 2.84Å; N108-Q112 PolarHBondContact O-NE2 3.09Å; N108-Q112 PolarHBondContact OD1-NE2 3.23Å; Q109-Q112 PolarHBondContact O-N 3.33Å; V110-Q112 VanDerWaalsContact C-N 3.29Å; V110-Q112 PolarHBondContact O-N 3.5Å; Q112-Y116 VanDerWaalsContact O-CB 3.32Å; Q112-Y116 WeakPolarHBondContact O-CB 3.35Å; Q112-Y116 PolarHBondContact O-N 3.22Å; Q112-L152 HydrophobicContact CG-CD1 4.18Å; Q112-L152 HydrophobicContact CG-CD2 4.2Å; Q112-V160 HydrophobicContact CB-CG2 3.87Å; Q112-V160 HydrophobicContact CG-CG2 3.66Å |
| 113 | S | 83.6 | Confident | 75.1 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.6 | -35.1 | 178 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | Q109 V110 Y116 T117 | Q109-S113 PolarHBondContact O-N 2.86Å; V110-S113 PolarHBondContact O-N 3.38Å; V110-S113 PolarHBondContact O-OG 2.87Å; S113-Y116 PolarHBondContact O-N 2.84Å; S113-T117 WeakPolarHBondContact O-CB 3.4Å; S113-T117 PolarHBondContact O-N 3.21Å; S113-T117 PolarHBondContact O-OG1 2.93Å |
| 114 | Q | 84.1 | Confident | 77.3 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 25% | 0.248 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -50.1 | 172.1 | -71.9 | 168.2 | -4.1 | 0 | 0 | 111.1 | V110 Y116 T117 W118 M149 | V110-Q114 WeakPolarHBondContact O-CB 3.38Å; V110-Q114 VanDerWaalsContact O-CG 3.24Å; V110-Q114 WeakPolarHBondContact O-CG 3.47Å; V110-Q114 PolarHBondContact O-N 3.41Å; Q114-Y116 VanDerWaalsContact C-N 3.33Å; Q114-Y116 PolarHBondContact O-N 3.39Å; Q114-T117 PolarHBondContact O-N 3.46Å; Q114-W118 PolarHBondContact O-N 3.18Å; Q114-M149 HydrophobicContact CB-CE 3.63Å; Q114-M149 HydrophobicContact CG-CE 3.58Å |
| 115 | A | 88.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E111 T117 W118 I119 Y140 L152 V160 | E111-A115 WeakPolarHBondContact O-CB 3.18Å; E111-A115 PolarHBondContact O-N 2.83Å; A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 3.42Å; A115-W118 PolarHBondContact O-N 2.95Å; A115-I119 WeakPolarHBondContact O-CB 3.29Å; A115-I119 WeakPolarHBondContact O-CD1 3.01Å; A115-I119 WeakPolarHBondContact O-CG1 3.31Å; A115-I119 PolarHBondContact O-N 3.08Å; A115-Y140 HydrophobicContact CB-CE2 3.82Å; A115-L152 HydrophobicContact CB-CD1 3.39Å; A115-L152 HydrophobicContact CB-CG 4.31Å; A115-V160 HydrophobicContact CB-CG1 4.36Å |
| 116 | Y | 89.2 | Confident | 81.1 | Confident | 98 Ų | 98 | 42.9 Ų | 42.9 | 38% | 0.384 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 175.4 | -173.4 | -84.8 | 0 | 0 | 0 | 111.2 | Q112 S113 Q114 W118 I119 M120 V160 R163 A164 | Q112-Y116 VanDerWaalsContact O-CB 3.32Å; Q112-Y116 WeakPolarHBondContact O-CB 3.35Å; Q112-Y116 PolarHBondContact O-N 3.22Å; S113-Y116 PolarHBondContact O-N 2.84Å; Q114-Y116 VanDerWaalsContact C-N 3.33Å; Q114-Y116 PolarHBondContact O-N 3.39Å; Y116-W118 VanDerWaalsContact C-N 3.34Å; Y116-W118 PolarHBondContact O-N 2.9Å; Y116-I119 PolarHBondContact O-N 2.96Å; Y116-M120 HydrophobicContact CD1-CG 3.82Å; Y116-M120 HydrophobicContact CE1-CG 3.52Å; Y116-M120 HydrophobicContact CE1-SD 3.85Å; Y116-M120 HydrophobicContact CG-CG 4.48Å; Y116-M120 WeakPolarHBondContact O-CB 3.45Å; Y116-M120 WeakPolarHBondContact O-CG 3.46Å; Y116-M120 PolarHBondContact O-N 2.77Å; Y116-V160 HydrophobicContact CD2-CG1 4.01Å; Y116-V160 HydrophobicContact CG-CG1 4.33Å; Y116-R163 HydrophobicContact CE2-CB 4.47Å; Y116-A164 HydrophobicContact CD2-CB 3.92Å; Y116-A164 HydrophobicContact CE2-CB 3.69Å |
| 117 | T | 87.7 | Confident | 82.8 | Confident | 50 Ų | 50 | 45 Ų | 45 | 31% | 0.307 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | S113 Q114 A115 S121 R308 | S113-T117 WeakPolarHBondContact O-CB 3.4Å; S113-T117 PolarHBondContact O-N 3.21Å; S113-T117 PolarHBondContact O-OG1 2.93Å; Q114-T117 PolarHBondContact O-N 3.46Å; A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 3.42Å; T117-S121 WeakPolarHBondContact O-CB 3.44Å; T117-S121 PolarHBondContact O-N 3.4Å; T117-S121 PolarHBondContact O-OG 3.04Å; T117-R308 HydrophobicContact CG2-CB 3.93Å; T117-R308 HydrophobicContact CG2-CG 4.01Å |
| 118 | W | 89.8 | Confident | 84.1 | Confident | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -51.1 | 172.4 | -175.5 | 84.9 | 0 | 0 | 0 | 112.1 | Q114 A115 Y116 M120 S121 H122 L123 V136 D139 Y140 Y143 F157 | Q114-W118 PolarHBondContact O-N 3.18Å; A115-W118 PolarHBondContact O-N 2.95Å; Y116-W118 VanDerWaalsContact C-N 3.34Å; Y116-W118 PolarHBondContact O-N 2.9Å; W118-M120 VanDerWaalsContact C-N 3.3Å; W118-M120 PolarHBondContact O-N 2.93Å; W118-S121 WeakPolarHBondContact CA-OG 3.22Å; W118-S121 PolarHBondContact O-N 2.81Å; W118-S121 VanDerWaalsContact O-N 3.11Å; W118-S121 PolarHBondContact O-OG 2.84Å; W118-H122 AromaticContact CD1-CE1 3.38Å; W118-H122 AromaticContact CD1-CG 3.97Å; W118-H122 AromaticContact CD1-ND1 3.44Å; W118-H122 AromaticContact CD1-NE2 3.86Å; W118-H122 HydrophobicContact CD2-CB 4.38Å; W118-H122 AromaticContact CE2-CD2 3.86Å; W118-H122 AromaticContact CE2-CG 3.65Å; W118-H122 AromaticContact CE2-ND1 3.93Å; W118-H122 AromaticContact CG-ND1 3.92Å; W118-H122 HydrophobicContact CH2-CB 4.37Å; W118-H122 HydrophobicContact CZ2-CB 3.97Å; W118-H122 AromaticContact NE1-CD2 3.45Å; W118-H122 PolarHBondContact NE1-CD2 3.08Å; W118-H122 AromaticContact NE1-CE1 3.38Å; W118-H122 PolarHBondContact NE1-CE1 3.48Å; W118-H122 AromaticContact NE1-CG 3.5Å; W118-H122 AromaticContact NE1-ND1 3.45Å; W118-H122 PolarHBondContact NE1-ND1 3.24Å; W118-H122 AromaticContact NE1-NE2 3.38Å; W118-H122 PolarHBondContact NE1-NE2 3.28Å; W118-H122 WeakPolarHBondContact O-CB 3.31Å; W118-H122 PolarHBondContact O-N 3.44Å; W118-H122 PolarHBondContact O-ND1 3.31Å; W118-H122 VanDerWaalsContact O-ND1 3.16Å; W118-L123 HydrophobicContact CZ3-CD1 4.3Å; W118-V136 WeakPolarHBondContact CH2-O 3.1Å; W118-V136 HydrophobicContact CZ3-CG1 4.32Å; W118-D139 HydrophobicContact CH2-CB 3.82Å; W118-D139 HydrophobicContact CZ2-CB 3.83Å; W118-Y140 HydrophobicContact CB-CD2 4.42Å; W118-Y140 AromaticContact CD2-CD2 3.93Å; W118-Y140 HydrophobicContact CD2-CD2 3.93Å; W118-Y140 AromaticContact CE3-CD2 3.95Å; W118-Y140 HydrophobicContact CE3-CD2 3.95Å; W118-Y140 HydrophobicContact CE3-CG 4.32Å; W118-Y140 HydrophobicContact CG-CD2 4.11Å; W118-Y143 HydrophobicContact CB-CE1 4.43Å; W118-Y143 AromaticContact CD1-CD1 3.3Å; W118-Y143 AromaticContact CD1-CD2 3.54Å; W118-Y143 AromaticContact CD1-CE1 3.66Å; W118-Y143 AromaticContact CD1-CE2 3.88Å; W118-Y143 AromaticContact CD1-CG 3.24Å; W118-Y143 AromaticContact CD1-CZ 3.95Å; W118-Y143 HydrophobicContact CG-CD1 4.04Å; W118-Y143 HydrophobicContact CG-CE1 4.33Å; W118-Y143 HydrophobicContact CG-CG 4.3Å; W118-Y143 AromaticContact NE1-CD1 3.87Å; W118-Y143 AromaticContact NE1-CD2 3.66Å; W118-Y143 AromaticContact NE1-CG 3.36Å; W118-F157 HydrophobicContact CE3-CE2 4.27Å; W118-F157 HydrophobicContact CE3-CZ 4.49Å; W118-F157 HydrophobicContact CZ3-CE2 4.27Å; W118-F157 HydrophobicContact CZ3-CZ 4.07Å |
| 119 | I | 91.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.7 | -44.6 | 179.3 | -73.3 | 165.9 | 0 | 0 | 0 | 111.1 | A115 Y116 S121 L123 F157 V160 M161 A164 F165 | A115-I119 WeakPolarHBondContact O-CB 3.29Å; A115-I119 WeakPolarHBondContact O-CD1 3.01Å; A115-I119 WeakPolarHBondContact O-CG1 3.31Å; A115-I119 PolarHBondContact O-N 3.08Å; Y116-I119 PolarHBondContact O-N 2.96Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 2.85Å; I119-L123 HydrophobicContact CG2-CD1 4.33Å; I119-L123 WeakPolarHBondContact O-CB 3.44Å; I119-L123 PolarHBondContact O-N 3.48Å; I119-F157 HydrophobicContact CD1-CD2 4.26Å; I119-F157 HydrophobicContact CD1-CE2 3.79Å; I119-F157 HydrophobicContact CD1-CZ 4.08Å; I119-F157 HydrophobicContact CG1-CE2 3.94Å; I119-F157 HydrophobicContact CG1-CZ 4.09Å; I119-V160 HydrophobicContact CD1-CB 4.22Å; I119-V160 HydrophobicContact CD1-CG1 3.87Å; I119-M161 HydrophobicContact CD1-CB 4.33Å; I119-M161 HydrophobicContact CD1-SD 4.05Å; I119-M161 HydrophobicContact CG1-SD 4.17Å; I119-M161 HydrophobicContact CG2-SD 3.84Å; I119-A164 HydrophobicContact CB-CB 4.46Å; I119-A164 HydrophobicContact CG2-CB 3.53Å; I119-F165 HydrophobicContact CG2-CD2 3.78Å; I119-F165 HydrophobicContact CG2-CE2 3.57Å |
| 120 | M | 87.1 | Confident | 85.7 | Confident | 69 Ų | 69 | 45.6 Ų | 45.6 | 34% | 0.34 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -76.4 | -15.8 | -178.6 | -61 | -92.7 | 70.6 | 0 | 0 | 114.4 | Y116 W118 A164 F165 | Y116-M120 HydrophobicContact CD1-CG 3.82Å; Y116-M120 HydrophobicContact CE1-CG 3.52Å; Y116-M120 HydrophobicContact CE1-SD 3.85Å; Y116-M120 HydrophobicContact CG-CG 4.48Å; Y116-M120 WeakPolarHBondContact O-CB 3.45Å; Y116-M120 WeakPolarHBondContact O-CG 3.46Å; Y116-M120 PolarHBondContact O-N 2.77Å; W118-M120 VanDerWaalsContact C-N 3.3Å; W118-M120 PolarHBondContact O-N 2.93Å; M120-A164 HydrophobicContact CE-CB 3.96Å; M120-A164 HydrophobicContact CG-CB 4.32Å; M120-A164 HydrophobicContact SD-CB 4.12Å; M120-F165 HydrophobicContact CE-CD1 4.19Å; M120-F165 HydrophobicContact CE-CD2 4.02Å; M120-F165 HydrophobicContact CE-CE1 3.67Å; M120-F165 HydrophobicContact CE-CE2 3.48Å; M120-F165 VanDerWaalsContact CE-CE2 3.48Å; M120-F165 HydrophobicContact CE-CG 4.35Å; M120-F165 HydrophobicContact CE-CZ 3.29Å |
| 121 | S | 84.3 | Confident | 86.4 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -97 | -31.2 | 178 | 49 | 0 | 0 | 0 | 0 | 113 | T117 W118 I119 K189 | T117-S121 WeakPolarHBondContact O-CB 3.44Å; T117-S121 PolarHBondContact O-N 3.4Å; T117-S121 PolarHBondContact O-OG 3.04Å; W118-S121 WeakPolarHBondContact CA-OG 3.22Å; W118-S121 PolarHBondContact O-N 2.81Å; W118-S121 VanDerWaalsContact O-N 3.11Å; W118-S121 PolarHBondContact O-OG 2.84Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 2.85Å; S121-K189 WeakPolarHBondContact O-CD 3.48Å |
| 122 | H | 84.7 | Confident | 86.8 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -102.4 | -15 | -173.2 | -67.8 | 67.9 | 0 | 0 | 0 | 114.5 | W118 K188 K189 | W118-H122 AromaticContact CD1-CE1 3.38Å; W118-H122 AromaticContact CD1-CG 3.97Å; W118-H122 AromaticContact CD1-ND1 3.44Å; W118-H122 AromaticContact CD1-NE2 3.86Å; W118-H122 HydrophobicContact CD2-CB 4.38Å; W118-H122 AromaticContact CE2-CD2 3.86Å; W118-H122 AromaticContact CE2-CG 3.65Å; W118-H122 AromaticContact CE2-ND1 3.93Å; W118-H122 AromaticContact CG-ND1 3.92Å; W118-H122 HydrophobicContact CH2-CB 4.37Å; W118-H122 HydrophobicContact CZ2-CB 3.97Å; W118-H122 AromaticContact NE1-CD2 3.45Å; W118-H122 PolarHBondContact NE1-CD2 3.08Å; W118-H122 AromaticContact NE1-CE1 3.38Å; W118-H122 PolarHBondContact NE1-CE1 3.48Å; W118-H122 AromaticContact NE1-CG 3.5Å; W118-H122 AromaticContact NE1-ND1 3.45Å; W118-H122 PolarHBondContact NE1-ND1 3.24Å; W118-H122 AromaticContact NE1-NE2 3.38Å; W118-H122 PolarHBondContact NE1-NE2 3.28Å; W118-H122 WeakPolarHBondContact O-CB 3.31Å; W118-H122 PolarHBondContact O-N 3.44Å; W118-H122 PolarHBondContact O-ND1 3.31Å; W118-H122 VanDerWaalsContact O-ND1 3.16Å; H122-K188 WeakPolarHBondContact O-CG 3.12Å; H122-K189 PolarHBondContact O-N 3.22Å |
| 123 | L | 90.3 | Very high | 87.2 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 158 | -175.6 | -50.6 | 176.4 | 0 | 0 | 0 | 111.4 | W118 I119 L131 V136 M161 F165 M186 K188 | W118-L123 HydrophobicContact CZ3-CD1 4.3Å; I119-L123 HydrophobicContact CG2-CD1 4.33Å; I119-L123 WeakPolarHBondContact O-CB 3.44Å; I119-L123 PolarHBondContact O-N 3.48Å; L123-L131 HydrophobicContact CD2-CD1 3.71Å; L123-V136 HydrophobicContact CD1-CG1 3.75Å; L123-V136 HydrophobicContact CD2-CG1 4.49Å; L123-V136 HydrophobicContact CD2-CG2 4.35Å; L123-M161 HydrophobicContact CD1-CE 3.77Å; L123-M161 HydrophobicContact CD1-SD 4.08Å; L123-F165 HydrophobicContact CB-CE2 4.03Å; L123-F165 HydrophobicContact CB-CZ 4.29Å; L123-M186 HydrophobicContact CB-CE 3.78Å; L123-M186 HydrophobicContact CD1-CE 4.29Å; L123-K188 HydrophobicContact CD2-CG 4.45Å |
| 124 | E | 86.9 | Confident | 87.6 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 146.9 | -175.4 | -167.2 | -177.1 | 177.9 | 0 | 0 | 110.4 | M186 R187 K189 | E124-M186 WeakPolarHBondContact O-CA 3.43Å; E124-R187 HydrophobicContact CB-CG 4.03Å; E124-R187 VanDerWaalsContact CD-NE 3.35Å; E124-R187 PolarHBondContact N-O 2.92Å; E124-R187 PolarHBondContact O-N 3.21Å; E124-R187 IonicContact OE1-CZ 2.78Å; E124-R187 IonicContact OE1-NE 2.7Å; E124-R187 IonicContact OE1-NH2 2.74Å; E124-R187 PolarHBondContact OE1-NH2 3Å; E124-R187 IonicContact OE2-CZ 3.19Å; E124-R187 VanDerWaalsContact OE2-CZ 3.32Å; E124-R187 IonicContact OE2-NE 2.68Å; E124-R187 PolarHBondContact OE2-NE 3.5Å; E124-R187 IonicContact OE2-NH2 2.69Å; E124-R187 PolarHBondContact OE2-NH2 3.23Å; E124-K189 HydrophobicContact CB-CB 4.46Å |
| 125 | E | 85.6 | Confident | 88 | Confident | 87 Ų | 87 | 54.3 Ų | 54.3 | 41% | 0.407 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 120.3 | 174.9 | -168 | 175 | 161.5 | 0 | 0 | 109.9 | F165 N167 G185 | E125-F165 HydrophobicContact CB-CD1 4.26Å; E125-F165 HydrophobicContact CB-CE1 4.24Å; E125-N167 WeakPolarHBondContact OE1-CB 3.24Å; E125-N167 PolarHBondContact OE1-ND2 3.49Å; E125-N167 VanDerWaalsContact OE1-ND2 3.08Å; E125-N167 PolarHBondContact OE2-ND2 2.85Å; E125-G185 WeakPolarHBondContact CA-O 3.38Å; E125-G185 WeakPolarHBondContact CG-O 3.29Å |
| 126 | D | 84.1 | Confident | 88.2 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 110.5 | 177.8 | 176 | -23.9 | 0 | 0 | 0 | 108.7 | S128 T129 G185 M186 R187 | D126-S128 PolarHBondContact O-N 2.99Å; D126-S128 VanDerWaalsContact O-N 3.1Å; D126-S128 WeakPolarHBondContact OD1-CB 3.12Å; D126-S128 PolarHBondContact OD1-N 3.2Å; D126-S128 PolarHBondContact OD1-OG 3.06Å; D126-T129 WeakPolarHBondContact CB-OG1 3.45Å; D126-T129 PolarHBondContact O-N 2.76Å; D126-T129 PolarHBondContact O-OG1 3.2Å; D126-T129 VanDerWaalsContact O-OG1 3.09Å; D126-G185 PolarHBondContact N-O 2.95Å; D126-G185 CarbonylContact O-C 3.59Å; D126-G185 WeakPolarHBondContact O-CA 3.48Å; D126-M186 PolarHBondContact O-N 3.4Å; D126-M186 VanDerWaalsContact O-N 3.14Å; D126-R187 HydrophobicContact CB-CB 4.32Å; D126-R187 HydrophobicContact CB-CG 3.86Å; D126-R187 WeakPolarHBondContact OD2-CD 3.06Å; D126-R187 IonicContact OD2-CZ 2.66Å; D126-R187 IonicContact OD2-NE 3.45Å; D126-R187 IonicContact OD2-NH1 3.24Å; D126-R187 PolarHBondContact OD2-NH1 3.39Å |
| 127 | P | 82.6 | Confident | 88.4 | Confident | 113 Ų | 113 | 51.1 Ų | 51.1 | 73% | 0.734 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -24.2 | -171.7 | 25.5 | -34.8 | 0 | 0 | 0 | 113.9 | T129 | P127-T129 VanDerWaalsContact C-N 3.34Å |
| 128 | S | 81.8 | Confident | 88.7 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 69% | 0.685 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -20.8 | -176.3 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | D126 | D126-S128 PolarHBondContact O-N 2.99Å; D126-S128 VanDerWaalsContact O-N 3.1Å; D126-S128 WeakPolarHBondContact OD1-CB 3.12Å; D126-S128 PolarHBondContact OD1-N 3.2Å; D126-S128 PolarHBondContact OD1-OG 3.06Å |
| 129 | T | 87.2 | Confident | 88.8 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 171.8 | -167.4 | 48.9 | 0 | 0 | 0 | 0 | 113.8 | D126 P127 R171 G185 M186 R187 | D126-T129 WeakPolarHBondContact CB-OG1 3.45Å; D126-T129 PolarHBondContact O-N 2.76Å; D126-T129 PolarHBondContact O-OG1 3.2Å; D126-T129 VanDerWaalsContact O-OG1 3.09Å; P127-T129 VanDerWaalsContact C-N 3.34Å; T129-R171 PolarHBondContact O-NH2 3.28Å; T129-G185 PolarHBondContact O-N 3.44Å; T129-M186 CarbonylContact C-O 3.53Å; T129-M186 WeakPolarHBondContact CB-O 3.11Å; T129-M186 PolarHBondContact OG1-O 2.81Å; T129-R187 HydrophobicContact CG2-CB 4.47Å; T129-R187 PolarHBondContact OG1-N 3.21Å |
| 130 | C | 87.8 | Confident | 88.9 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 37% | 0.372 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 135.2 | 166.9 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | L173 C182 Y183 M186 | C130-L173 HydrophobicContact CB-CD1 4.39Å; C130-L173 WeakPolarHBondContact SG-CD1 3.47Å; C130-C182 HydrophobicContact CB-CB 4.23Å; C130-Y183 CarbonylContact C-O 3.53Å; C130-Y183 WeakPolarHBondContact CA-O 3.46Å; C130-Y183 VanDerWaalsContact CB-O 3.27Å; C130-Y183 WeakPolarHBondContact CB-O 3.45Å; C130-M186 PolarHBondContact N-O 3.13Å |
| 131 | L | 90.6 | Very high | 89.2 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 144.4 | 172.6 | -69.1 | 177.1 | 0 | 0 | 0 | 111 | L123 V136 C182 Y183 M186 K188 | L123-L131 HydrophobicContact CD2-CD1 3.71Å; L131-V136 HydrophobicContact CB-CG2 3.75Å; L131-V136 HydrophobicContact CD1-CG2 3.67Å; L131-V136 HydrophobicContact CG-CG2 4.31Å; L131-C182 CarbonylContact O-C 2.91Å; L131-C182 WeakPolarHBondContact O-CA 3.16Å; L131-C182 WeakPolarHBondContact O-CB 3.28Å; L131-Y183 PolarHBondContact N-O 3.06Å; L131-Y183 VanDerWaalsContact N-O 3.08Å; L131-Y183 PolarHBondContact O-N 2.73Å; L131-M186 HydrophobicContact CD1-CB 4.38Å; L131-M186 HydrophobicContact CG-CB 4.49Å; L131-K188 HydrophobicContact CD1-CB 4.49Å; L131-K188 HydrophobicContact CD2-CB 4.43Å |
| 132 | R | 91.1 | Very high | 89.5 | Confident | 87 Ų | 87 | 56.5 Ų | 56.5 | 33% | 0.328 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 140.1 | 170.3 | -90.2 | 173.6 | 62.5 | -169.6 | 8.3 | 111.2 | D134 E135 V136 | R132-D134 WeakPolarHBondContact CB-OD1 3.34Å; R132-D134 IonicContact CZ-OD1 3.77Å; R132-D134 IonicContact CZ-OD2 3.77Å; R132-D134 IonicContact NE-OD1 3.91Å; R132-D134 PolarHBondContact NE-OD1 3.27Å; R132-D134 IonicContact NE-OD2 3.63Å; R132-D134 PolarHBondContact NE-OD2 3Å; R132-D134 IonicContact NH2-OD1 3.45Å; R132-D134 IonicContact NH2-OD2 3.58Å; R132-D134 PolarHBondContact NH2-OD2 3.21Å; R132-E135 HydrophobicContact CB-CB 4.01Å; R132-E135 HydrophobicContact CB-CG 3.8Å; R132-E135 WeakPolarHBondContact CB-OE2 3.15Å; R132-E135 WeakPolarHBondContact CD-OE1 3.4Å; R132-E135 IonicContact CZ-OE1 3.4Å; R132-E135 VanDerWaalsContact CZ-OE1 3.24Å; R132-E135 IonicContact NE-OE1 2.66Å; R132-E135 PolarHBondContact NE-OE1 3.14Å; R132-E135 IonicContact NH1-OE1 3.4Å; R132-E135 PolarHBondContact NH1-OE1 3.24Å; R132-V136 WeakPolarHBondContact O-CG2 3.41Å; R132-V136 PolarHBondContact O-N 3.39Å |
| 133 | K | 92.6 | Very high | 89.7 | Confident | 66 Ų | 66 | 57 Ų | 57 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.9 | -33.4 | -177.9 | -68.2 | -162.9 | -179.5 | -174.3 | 0 | 113.2 | Y137 Y181 Y183 | K133-Y137 WeakPolarHBondContact O-CB 3.35Å; K133-Y137 PolarHBondContact O-N 3.41Å; K133-Y181 WeakPolarHBondContact CB-O 3.31Å; K133-Y181 WeakPolarHBondContact CG-O 3.31Å; K133-Y181 PolarHBondContact N-O 2.62Å; K133-Y183 HydrophobicContact CB-CE2 4.07Å; K133-Y183 HydrophobicContact CD-CE1 4.03Å; K133-Y183 HydrophobicContact CD-CE2 4.29Å; K133-Y183 HydrophobicContact CG-CD1 4.38Å; K133-Y183 HydrophobicContact CG-CD2 3.88Å; K133-Y183 HydrophobicContact CG-CE1 4.13Å; K133-Y183 HydrophobicContact CG-CE2 3.62Å; K133-Y183 HydrophobicContact CG-CG 4.25Å |
| 134 | D | 92.3 | Very high | 89.8 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.2 | -54.4 | 174.6 | 40.3 | -23.5 | 0 | 0 | 0 | 110.5 | R132 V136 Y137 D138 | R132-D134 WeakPolarHBondContact CB-OD1 3.34Å; R132-D134 IonicContact CZ-OD1 3.77Å; R132-D134 IonicContact CZ-OD2 3.77Å; R132-D134 IonicContact NE-OD1 3.91Å; R132-D134 PolarHBondContact NE-OD1 3.27Å; R132-D134 IonicContact NE-OD2 3.63Å; R132-D134 PolarHBondContact NE-OD2 3Å; R132-D134 IonicContact NH2-OD1 3.45Å; R132-D134 IonicContact NH2-OD2 3.58Å; R132-D134 PolarHBondContact NH2-OD2 3.21Å; D134-V136 VanDerWaalsContact C-N 3.33Å; D134-V136 PolarHBondContact O-N 2.8Å; D134-Y137 PolarHBondContact O-N 2.6Å; D134-D138 VanDerWaalsContact O-CG 3.31Å; D134-D138 PolarHBondContact O-N 3.31Å |
| 135 | E | 92 | Very high | 89.9 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 42% | 0.416 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.2 | -44.6 | 178.2 | -65.8 | 174.7 | 175.5 | 0 | 0 | 113 | R132 Y137 D138 D139 | R132-E135 HydrophobicContact CB-CB 4.01Å; R132-E135 HydrophobicContact CB-CG 3.8Å; R132-E135 WeakPolarHBondContact CB-OE2 3.15Å; R132-E135 WeakPolarHBondContact CD-OE1 3.4Å; R132-E135 IonicContact CZ-OE1 3.4Å; R132-E135 VanDerWaalsContact CZ-OE1 3.24Å; R132-E135 IonicContact NE-OE1 2.66Å; R132-E135 PolarHBondContact NE-OE1 3.14Å; R132-E135 IonicContact NH1-OE1 3.4Å; R132-E135 PolarHBondContact NH1-OE1 3.24Å; E135-Y137 VanDerWaalsContact C-N 3.34Å; E135-Y137 PolarHBondContact O-N 2.67Å; E135-D138 PolarHBondContact O-N 3.26Å; E135-D139 WeakPolarHBondContact O-CB 3.05Å; E135-D139 PolarHBondContact O-N 2.95Å |
| 136 | V | 92.6 | Very high | 90 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.7 | -33 | 177.9 | 169.7 | 0 | 0 | 0 | 0 | 113.1 | W118 L123 L131 R132 D134 Y140 F157 Y183 | W118-V136 WeakPolarHBondContact CH2-O 3.1Å; W118-V136 HydrophobicContact CZ3-CG1 4.32Å; L123-V136 HydrophobicContact CD1-CG1 3.75Å; L123-V136 HydrophobicContact CD2-CG1 4.49Å; L123-V136 HydrophobicContact CD2-CG2 4.35Å; L131-V136 HydrophobicContact CB-CG2 3.75Å; L131-V136 HydrophobicContact CD1-CG2 3.67Å; L131-V136 HydrophobicContact CG-CG2 4.31Å; R132-V136 WeakPolarHBondContact O-CG2 3.41Å; R132-V136 PolarHBondContact O-N 3.39Å; D134-V136 VanDerWaalsContact C-N 3.33Å; D134-V136 PolarHBondContact O-N 2.8Å; V136-Y140 PolarHBondContact O-N 3.03Å; V136-F157 HydrophobicContact CG1-CE1 4.08Å; V136-F157 HydrophobicContact CG1-CZ 3.95Å; V136-Y183 HydrophobicContact CB-CE2 4.38Å; V136-Y183 HydrophobicContact CG1-CE2 4.25Å; V136-Y183 HydrophobicContact CG2-CD2 4.48Å |
| 137 | Y | 94.2 | Very high | 89.9 | Confident | 27 Ų | 27 | 67.5 Ų | 67.5 | 11% | 0.106 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -81.8 | -32.3 | 178.4 | -179.5 | -107.7 | 0 | 0 | 0 | 112.2 | K133 D134 E135 Y140 R141 L152 T154 F157 | K133-Y137 WeakPolarHBondContact O-CB 3.35Å; K133-Y137 PolarHBondContact O-N 3.41Å; D134-Y137 PolarHBondContact O-N 2.6Å; E135-Y137 VanDerWaalsContact C-N 3.34Å; E135-Y137 PolarHBondContact O-N 2.67Å; Y137-Y140 HydrophobicContact CD2-CD1 4.08Å; Y137-Y140 HydrophobicContact CE2-CD1 4.12Å; Y137-Y140 HydrophobicContact CE2-CE1 4.43Å; Y137-Y140 PolarHBondContact O-N 3.19Å; Y137-R141 PolarHBondContact O-N 3.48Å; Y137-L152 WeakPolarHBondContact CE2-O 3.45Å; Y137-L152 PolarHBondContact OH-O 3.02Å; Y137-T154 HydrophobicContact CD1-CG2 4.43Å; Y137-T154 HydrophobicContact CD2-CG2 4.43Å; Y137-T154 HydrophobicContact CE1-CG2 4.49Å; Y137-T154 WeakPolarHBondContact CE1-OG1 3.42Å; Y137-T154 HydrophobicContact CG-CG2 4.38Å; Y137-T154 PolarHBondContact OH-N 3.46Å; Y137-T154 PolarHBondContact OH-OG1 3.22Å; Y137-F157 HydrophobicContact CD2-CB 4.11Å; Y137-F157 AromaticContact CD2-CD1 3.79Å; Y137-F157 HydrophobicContact CD2-CD1 3.79Å; Y137-F157 HydrophobicContact CD2-CD2 4.33Å; Y137-F157 HydrophobicContact CD2-CE1 4.29Å; Y137-F157 AromaticContact CD2-CG 3.82Å; Y137-F157 HydrophobicContact CD2-CG 3.82Å; Y137-F157 HydrophobicContact CE2-CB 4.07Å; Y137-F157 HydrophobicContact CE2-CG 4.24Å |
| 138 | D | 93.6 | Very high | 89.9 | Confident | 71 Ų | 71 | 70.8 Ų | 70.8 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.5 | -38.3 | 174.5 | -64.3 | -30.1 | 0 | 0 | 0 | 111.2 | D134 E135 Y140 R141 A142 | D134-D138 VanDerWaalsContact O-CG 3.31Å; D134-D138 PolarHBondContact O-N 3.31Å; E135-D138 PolarHBondContact O-N 3.26Å; D138-Y140 VanDerWaalsContact C-N 3.34Å; D138-Y140 PolarHBondContact O-N 3.35Å; D138-R141 PolarHBondContact O-N 3.41Å; D138-R141 IonicContact OD1-CZ 3.36Å; D138-R141 IonicContact OD1-NH1 3.32Å; D138-R141 PolarHBondContact OD1-NH1 3.18Å; D138-R141 IonicContact OD1-NH2 2.68Å; D138-R141 PolarHBondContact OD1-NH2 3.11Å; D138-A142 PolarHBondContact O-N 3.03Å |
| 139 | D | 92 | Very high | 89.9 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -54.7 | -46.4 | 166.5 | -93.5 | -42.8 | 0 | 0 | 0 | 111.9 | W118 E135 A142 Y143 K188 | W118-D139 HydrophobicContact CH2-CB 3.82Å; W118-D139 HydrophobicContact CZ2-CB 3.83Å; E135-D139 WeakPolarHBondContact O-CB 3.05Å; E135-D139 PolarHBondContact O-N 2.95Å; D139-A142 PolarHBondContact O-N 3.14Å; D139-Y143 PolarHBondContact O-N 3.11Å; D139-K188 IonicContact OD1-NZ 3.04Å; D139-K188 PolarHBondContact OD1-NZ 3.42Å; D139-K188 WeakPolarHBondContact OD2-CE 3.18Å; D139-K188 IonicContact OD2-NZ 2.75Å; D139-K188 PolarHBondContact OD2-NZ 3.26Å |
| 140 | Y | 93.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | 176.6 | 168.7 | -109.2 | 0 | 0 | 0 | 112.3 | A115 W118 V136 Y137 D138 Y143 C144 L152 F157 | A115-Y140 HydrophobicContact CB-CE2 3.82Å; W118-Y140 HydrophobicContact CB-CD2 4.42Å; W118-Y140 AromaticContact CD2-CD2 3.93Å; W118-Y140 HydrophobicContact CD2-CD2 3.93Å; W118-Y140 AromaticContact CE3-CD2 3.95Å; W118-Y140 HydrophobicContact CE3-CD2 3.95Å; W118-Y140 HydrophobicContact CE3-CG 4.32Å; W118-Y140 HydrophobicContact CG-CD2 4.11Å; V136-Y140 PolarHBondContact O-N 3.03Å; Y137-Y140 HydrophobicContact CD2-CD1 4.08Å; Y137-Y140 HydrophobicContact CE2-CD1 4.12Å; Y137-Y140 HydrophobicContact CE2-CE1 4.43Å; Y137-Y140 PolarHBondContact O-N 3.19Å; D138-Y140 VanDerWaalsContact C-N 3.34Å; D138-Y140 PolarHBondContact O-N 3.35Å; Y140-Y143 PolarHBondContact O-N 3.42Å; Y140-C144 WeakPolarHBondContact CE2-SG 3.06Å; Y140-C144 PolarHBondContact O-N 3.03Å; Y140-C144 PolarHBondContact O-SG 3.36Å; Y140-L152 HydrophobicContact CE1-CB 4.18Å; Y140-L152 PolarHBondContact OH-N 3.2Å; Y140-F157 AromaticContact CD1-CD2 3.48Å; Y140-F157 HydrophobicContact CD1-CD2 3.48Å; Y140-F157 VanDerWaalsContact CD1-CD2 3.48Å; Y140-F157 AromaticContact CD1-CE2 3.61Å; Y140-F157 HydrophobicContact CD1-CE2 3.61Å; Y140-F157 HydrophobicContact CD1-CG 4.34Å; Y140-F157 HydrophobicContact CD2-CD2 4.33Å; Y140-F157 AromaticContact CD2-CE2 3.92Å; Y140-F157 HydrophobicContact CD2-CE2 3.92Å; Y140-F157 AromaticContact CE1-CD2 3.69Å; Y140-F157 HydrophobicContact CE1-CD2 3.69Å; Y140-F157 HydrophobicContact CE1-CE2 4.2Å; Y140-F157 HydrophobicContact CE2-CE2 4.48Å; Y140-F157 AromaticContact CG-CD2 3.83Å; Y140-F157 HydrophobicContact CG-CD2 3.83Å; Y140-F157 AromaticContact CG-CE2 3.45Å; Y140-F157 HydrophobicContact CG-CE2 3.45Å; Y140-F157 VanDerWaalsContact CG-CE2 3.45Å; Y140-F157 HydrophobicContact CG-CZ 4.33Å |
| 141 | R | 92.2 | Very high | 89.7 | Confident | 104 Ų | 104 | 71.9 Ų | 71.9 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.2 | -49.8 | 174.2 | -172.8 | -169.4 | -62.9 | 109.1 | 2.8 | 110.5 | Y137 D138 Y143 C144 E145 T151 | Y137-R141 PolarHBondContact O-N 3.48Å; D138-R141 PolarHBondContact O-N 3.41Å; D138-R141 IonicContact OD1-CZ 3.36Å; D138-R141 IonicContact OD1-NH1 3.32Å; D138-R141 PolarHBondContact OD1-NH1 3.18Å; D138-R141 IonicContact OD1-NH2 2.68Å; D138-R141 PolarHBondContact OD1-NH2 3.11Å; R141-Y143 VanDerWaalsContact C-N 3.3Å; R141-Y143 PolarHBondContact O-N 3.1Å; R141-C144 PolarHBondContact O-N 3.38Å; R141-E145 WeakPolarHBondContact O-CB 3.28Å; R141-E145 PolarHBondContact O-N 3.06Å; R141-T151 HydrophobicContact CB-CG2 4.43Å; R141-T151 HydrophobicContact CG-CG2 4.12Å |
| 142 | A | 91.6 | Very high | 89.6 | Confident | 55 Ų | 55 | 70.7 Ų | 70.7 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | D138 D139 K146 | D138-A142 PolarHBondContact O-N 3.03Å; D139-A142 PolarHBondContact O-N 3.14Å; A142-K146 VanDerWaalsContact O-CB 3.3Å; A142-K146 WeakPolarHBondContact O-CB 3.31Å; A142-K146 PolarHBondContact O-N 2.93Å |
| 143 | Y | 89.7 | Confident | 89.6 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 27% | 0.271 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -49.3 | 171 | 174.7 | -94.6 | 0 | 0 | 0 | 111.9 | W118 D139 Y140 R141 E145 K146 H147 M149 | W118-Y143 HydrophobicContact CB-CE1 4.43Å; W118-Y143 AromaticContact CD1-CD1 3.3Å; W118-Y143 AromaticContact CD1-CD2 3.54Å; W118-Y143 AromaticContact CD1-CE1 3.66Å; W118-Y143 AromaticContact CD1-CE2 3.88Å; W118-Y143 AromaticContact CD1-CG 3.24Å; W118-Y143 AromaticContact CD1-CZ 3.95Å; W118-Y143 HydrophobicContact CG-CD1 4.04Å; W118-Y143 HydrophobicContact CG-CE1 4.33Å; W118-Y143 HydrophobicContact CG-CG 4.3Å; W118-Y143 AromaticContact NE1-CD1 3.87Å; W118-Y143 AromaticContact NE1-CD2 3.66Å; W118-Y143 AromaticContact NE1-CG 3.36Å; D139-Y143 PolarHBondContact O-N 3.11Å; Y140-Y143 PolarHBondContact O-N 3.42Å; R141-Y143 VanDerWaalsContact C-N 3.3Å; R141-Y143 PolarHBondContact O-N 3.1Å; Y143-E145 PolarHBondContact O-N 2.95Å; Y143-K146 PolarHBondContact O-N 3.27Å; Y143-H147 AromaticContact CD2-CD2 3.62Å; Y143-H147 AromaticContact CD2-NE2 3.94Å; Y143-H147 AromaticContact CE2-CD2 3.33Å; Y143-H147 WeakPolarHBondContact CE2-CD2 3.39Å; Y143-H147 AromaticContact CE2-NE2 3.43Å; Y143-H147 WeakPolarHBondContact CE2-NE2 3.48Å; Y143-H147 AromaticContact CZ-CD2 3.67Å; Y143-H147 PolarHBondContact O-CD2 3.37Å; Y143-H147 VanDerWaalsContact O-CD2 3.31Å; Y143-H147 PolarHBondContact O-N 2.94Å; Y143-H147 VanDerWaalsContact O-N 3.12Å; Y143-M149 HydrophobicContact CE1-SD 3.87Å |
| 144 | C | 90.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 178.4 | -73.3 | 0 | 0 | 0 | 0 | 112.4 | Y140 R141 H147 H148 M149 T151 | Y140-C144 WeakPolarHBondContact CE2-SG 3.06Å; Y140-C144 PolarHBondContact O-N 3.03Å; Y140-C144 PolarHBondContact O-SG 3.36Å; R141-C144 PolarHBondContact O-N 3.38Å; C144-H147 CarbonylContact O-C 3.42Å; C144-H147 PolarHBondContact O-N 3.47Å; C144-H148 PolarHBondContact O-N 2.92Å; C144-M149 HydrophobicContact CB-CB 4.13Å; C144-M149 PolarHBondContact O-N 3.4Å; C144-T151 HydrophobicContact CB-CG2 3.4Å |
| 145 | E | 89.9 | Confident | 89.4 | Confident | 141 Ų | 141 | 72.2 Ų | 72.2 | 66% | 0.659 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.8 | -48.7 | 176.3 | -175.8 | 171.6 | -166.6 | 0 | 0 | 111.6 | R141 Y143 H147 H148 | R141-E145 WeakPolarHBondContact O-CB 3.28Å; R141-E145 PolarHBondContact O-N 3.06Å; Y143-E145 PolarHBondContact O-N 2.95Å; E145-H147 PolarHBondContact O-N 2.74Å; E145-H148 PolarHBondContact O-N 3.32Å |
| 146 | K | 87.9 | Confident | 89.3 | Confident | 161 Ų | 161 | 69.2 Ų | 69.2 | 70% | 0.7 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.5 | -30.4 | 176.1 | -178.5 | -178.4 | 176.8 | -172.4 | 0 | 113.8 | A142 Y143 | A142-K146 VanDerWaalsContact O-CB 3.3Å; A142-K146 WeakPolarHBondContact O-CB 3.31Å; A142-K146 PolarHBondContact O-N 2.93Å; Y143-K146 PolarHBondContact O-N 3.27Å |
| 147 | H | 82.5 | Confident | 89.3 | Confident | 93 Ų | 93 | 69.1 Ų | 69.1 | 43% | 0.431 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 9.7 | -178.1 | -73.7 | -79.4 | 0 | 0 | 0 | 113.7 | Y143 C144 E145 M149 | Y143-H147 AromaticContact CD2-CD2 3.62Å; Y143-H147 AromaticContact CD2-NE2 3.94Å; Y143-H147 AromaticContact CE2-CD2 3.33Å; Y143-H147 WeakPolarHBondContact CE2-CD2 3.39Å; Y143-H147 AromaticContact CE2-NE2 3.43Å; Y143-H147 WeakPolarHBondContact CE2-NE2 3.48Å; Y143-H147 AromaticContact CZ-CD2 3.67Å; Y143-H147 PolarHBondContact O-CD2 3.37Å; Y143-H147 VanDerWaalsContact O-CD2 3.31Å; Y143-H147 PolarHBondContact O-N 2.94Å; Y143-H147 VanDerWaalsContact O-N 3.12Å; C144-H147 CarbonylContact O-C 3.42Å; C144-H147 PolarHBondContact O-N 3.47Å; E145-H147 PolarHBondContact O-N 2.74Å; H147-M149 HydrophobicContact CB-CG 3.75Å; H147-M149 HydrophobicContact CB-SD 3.58Å; H147-M149 VanDerWaalsContact CB-SD 3.58Å; H147-M149 WeakPolarHBondContact O-CG 3.41Å; H147-M149 PolarHBondContact O-N 2.82Å |
| 148 | H | 82.1 | Confident | 89.2 | Confident | 182 Ų | 182 | 68.9 Ų | 68.9 | 84% | 0.843 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 33.2 | -176.9 | -50.8 | -49 | 0 | 0 | 0 | 114.2 | C144 E145 | C144-H148 PolarHBondContact O-N 2.92Å; E145-H148 PolarHBondContact O-N 3.32Å |
| 149 | M | 81.8 | Confident | 89 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 23% | 0.232 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -96.6 | 145.2 | -178.7 | -54 | 171.8 | 77.4 | 0 | 0 | 110.5 | Q114 Y143 C144 H147 | Q114-M149 HydrophobicContact CB-CE 3.63Å; Q114-M149 HydrophobicContact CG-CE 3.58Å; Y143-M149 HydrophobicContact CE1-SD 3.87Å; C144-M149 HydrophobicContact CB-CB 4.13Å; C144-M149 PolarHBondContact O-N 3.4Å; H147-M149 HydrophobicContact CB-CG 3.75Å; H147-M149 HydrophobicContact CB-SD 3.58Å; H147-M149 VanDerWaalsContact CB-SD 3.58Å; H147-M149 WeakPolarHBondContact O-CG 3.41Å; H147-M149 PolarHBondContact O-N 2.82Å |
| 150 | K | 84.4 | Confident | 89 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 52% | 0.522 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 130.7 | 171.5 | 172.2 | 161.2 | 155.3 | -76.7 | 0 | 109.8 | E111 | E111-K150 WeakPolarHBondContact OE1-CB 3.24Å; E111-K150 VanDerWaalsContact OE1-CD 3.28Å; E111-K150 WeakPolarHBondContact OE1-CD 3.46Å; E111-K150 VanDerWaalsContact OE1-CG 3.32Å; E111-K150 WeakPolarHBondContact OE1-CG 3.38Å; E111-K150 IonicContact OE1-NZ 2.66Å; E111-K150 PolarHBondContact OE1-NZ 2.82Å; E111-K150 IonicContact OE2-NZ 2.8Å; E111-K150 PolarHBondContact OE2-NZ 2.84Å |
| 151 | T | 87.2 | Confident | 88.8 | Confident | 54 Ų | 54 | 68.1 Ų | 68.1 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 135.9 | 178.4 | 42.6 | 0 | 0 | 0 | 0 | 111.3 | R141 C144 | R141-T151 HydrophobicContact CB-CG2 4.43Å; R141-T151 HydrophobicContact CG-CG2 4.12Å; C144-T151 HydrophobicContact CB-CG2 3.4Å |
| 152 | L | 88.2 | Confident | 88.7 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 142.6 | 164.5 | -73 | 179.3 | 0 | 0 | 0 | 110.6 | E111 Q112 A115 Y137 Y140 D156 F157 V160 | E111-L152 HydrophobicContact CB-CD2 3.55Å; E111-L152 HydrophobicContact CB-CG 4.17Å; Q112-L152 HydrophobicContact CG-CD1 4.18Å; Q112-L152 HydrophobicContact CG-CD2 4.2Å; A115-L152 HydrophobicContact CB-CD1 3.39Å; A115-L152 HydrophobicContact CB-CG 4.31Å; Y137-L152 WeakPolarHBondContact CE2-O 3.45Å; Y137-L152 PolarHBondContact OH-O 3.02Å; Y140-L152 HydrophobicContact CE1-CB 4.18Å; Y140-L152 PolarHBondContact OH-N 3.2Å; L152-D156 HydrophobicContact CD2-CB 4.36Å; L152-F157 HydrophobicContact CB-CB 4.32Å; L152-V160 HydrophobicContact CD1-CG2 3.95Å |
| 153 | N | 89.5 | Confident | 88.5 | Confident | 100 Ų | 100 | 75.3 Ų | 75.3 | 54% | 0.535 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 142.2 | 164.3 | -179.6 | 5.4 | 0 | 0 | 0 | 110.4 | A155 D156 F157 | N153-A155 PolarHBondContact O-N 2.94Å; N153-A155 PolarHBondContact OD1-N 3.42Å; N153-D156 PolarHBondContact O-N 3.19Å; N153-F157 PolarHBondContact O-N 2.87Å |
| 154 | T | 91.2 | Very high | 88.4 | Confident | 78 Ų | 78 | 72.5 Ų | 72.5 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -51.8 | -33.4 | 179.1 | -45.2 | 0 | 0 | 0 | 0 | 113 | Y137 G158 | Y137-T154 HydrophobicContact CD1-CG2 4.43Å; Y137-T154 HydrophobicContact CD2-CG2 4.43Å; Y137-T154 HydrophobicContact CE1-CG2 4.49Å; Y137-T154 WeakPolarHBondContact CE1-OG1 3.42Å; Y137-T154 HydrophobicContact CG-CG2 4.38Å; Y137-T154 PolarHBondContact OH-N 3.46Å; Y137-T154 PolarHBondContact OH-OG1 3.22Å; T154-G158 PolarHBondContact O-N 2.8Å |
| 155 | A | 90.4 | Very high | 88.4 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | N153 K159 | N153-A155 PolarHBondContact O-N 2.94Å; N153-A155 PolarHBondContact OD1-N 3.42Å; A155-K159 WeakPolarHBondContact O-CG 3.48Å; A155-K159 PolarHBondContact O-N 2.88Å |
| 156 | D | 90.1 | Very high | 88.3 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -80.3 | -39.7 | -179.4 | -65.8 | -61.1 | 0 | 0 | 0 | 111.9 | L152 N153 G158 K159 V160 | L152-D156 HydrophobicContact CD2-CB 4.36Å; N153-D156 PolarHBondContact O-N 3.19Å; D156-G158 PolarHBondContact O-N 3.09Å; D156-K159 WeakPolarHBondContact O-CA 3.27Å; D156-K159 WeakPolarHBondContact O-CB 3.15Å; D156-K159 PolarHBondContact O-N 3.26Å; D156-K159 WeakPolarHBondContact OD1-CD 3.41Å; D156-K159 WeakPolarHBondContact OD1-CE 3.36Å; D156-K159 IonicContact OD1-NZ 3.99Å; D156-K159 PolarHBondContact OD1-NZ 3.41Å; D156-V160 WeakPolarHBondContact O-CG2 3.34Å; D156-V160 PolarHBondContact O-N 3.32Å |
| 157 | F | 92.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 0% | 0.004 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -52.4 | -44.1 | 166.1 | -178.3 | -94.8 | 0 | 0 | 0 | 110.9 | W118 I119 V136 Y137 Y140 L152 N153 K159 V160 M161 | W118-F157 HydrophobicContact CE3-CE2 4.27Å; W118-F157 HydrophobicContact CE3-CZ 4.49Å; W118-F157 HydrophobicContact CZ3-CE2 4.27Å; W118-F157 HydrophobicContact CZ3-CZ 4.07Å; I119-F157 HydrophobicContact CD1-CD2 4.26Å; I119-F157 HydrophobicContact CD1-CE2 3.79Å; I119-F157 HydrophobicContact CD1-CZ 4.08Å; I119-F157 HydrophobicContact CG1-CE2 3.94Å; I119-F157 HydrophobicContact CG1-CZ 4.09Å; V136-F157 HydrophobicContact CG1-CE1 4.08Å; V136-F157 HydrophobicContact CG1-CZ 3.95Å; Y137-F157 HydrophobicContact CD2-CB 4.11Å; Y137-F157 AromaticContact CD2-CD1 3.79Å; Y137-F157 HydrophobicContact CD2-CD1 3.79Å; Y137-F157 HydrophobicContact CD2-CD2 4.33Å; Y137-F157 HydrophobicContact CD2-CE1 4.29Å; Y137-F157 AromaticContact CD2-CG 3.82Å; Y137-F157 HydrophobicContact CD2-CG 3.82Å; Y137-F157 HydrophobicContact CE2-CB 4.07Å; Y137-F157 HydrophobicContact CE2-CG 4.24Å; Y140-F157 AromaticContact CD1-CD2 3.48Å; Y140-F157 HydrophobicContact CD1-CD2 3.48Å; Y140-F157 VanDerWaalsContact CD1-CD2 3.48Å; Y140-F157 AromaticContact CD1-CE2 3.61Å; Y140-F157 HydrophobicContact CD1-CE2 3.61Å; Y140-F157 HydrophobicContact CD1-CG 4.34Å; Y140-F157 HydrophobicContact CD2-CD2 4.33Å; Y140-F157 AromaticContact CD2-CE2 3.92Å; Y140-F157 HydrophobicContact CD2-CE2 3.92Å; Y140-F157 AromaticContact CE1-CD2 3.69Å; Y140-F157 HydrophobicContact CE1-CD2 3.69Å; Y140-F157 HydrophobicContact CE1-CE2 4.2Å; Y140-F157 HydrophobicContact CE2-CE2 4.48Å; Y140-F157 AromaticContact CG-CD2 3.83Å; Y140-F157 HydrophobicContact CG-CD2 3.83Å; Y140-F157 AromaticContact CG-CE2 3.45Å; Y140-F157 HydrophobicContact CG-CE2 3.45Å; Y140-F157 VanDerWaalsContact CG-CE2 3.45Å; Y140-F157 HydrophobicContact CG-CZ 4.33Å; L152-F157 HydrophobicContact CB-CB 4.32Å; N153-F157 PolarHBondContact O-N 2.87Å; F157-K159 VanDerWaalsContact C-N 3.29Å; F157-K159 PolarHBondContact O-N 3.3Å; F157-V160 PolarHBondContact O-N 3.07Å; F157-M161 VanDerWaalsContact O-CB 3.31Å; F157-M161 WeakPolarHBondContact O-CB 3.22Å; F157-M161 PolarHBondContact O-N 3.31Å |
| 158 | G | 91.3 | Very high | 88.4 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -26.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | T154 D156 K162 | T154-G158 PolarHBondContact O-N 2.8Å; D156-G158 PolarHBondContact O-N 3.09Å; G158-K162 PolarHBondContact O-N 3.08Å |
| 159 | K | 90.5 | Very high | 88.6 | Confident | 108 Ų | 108 | 64.1 Ų | 64.1 | 47% | 0.47 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -74.6 | -45.9 | 171.2 | -63.7 | 167.6 | -165.2 | 167.6 | 0 | 110.8 | A155 D156 F157 M161 K162 R163 | A155-K159 WeakPolarHBondContact O-CG 3.48Å; A155-K159 PolarHBondContact O-N 2.88Å; D156-K159 WeakPolarHBondContact O-CA 3.27Å; D156-K159 WeakPolarHBondContact O-CB 3.15Å; D156-K159 PolarHBondContact O-N 3.26Å; D156-K159 WeakPolarHBondContact OD1-CD 3.41Å; D156-K159 WeakPolarHBondContact OD1-CE 3.36Å; D156-K159 IonicContact OD1-NZ 3.99Å; D156-K159 PolarHBondContact OD1-NZ 3.41Å; F157-K159 VanDerWaalsContact C-N 3.29Å; F157-K159 PolarHBondContact O-N 3.3Å; K159-M161 VanDerWaalsContact C-N 3.33Å; K159-M161 PolarHBondContact O-N 3.18Å; K159-K162 PolarHBondContact O-N 3.36Å; K159-R163 PolarHBondContact O-N 3.36Å |
| 160 | V | 90.5 | Very high | 89 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 178 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | Q112 A115 Y116 I119 L152 D156 F157 K162 R163 A164 | Q112-V160 HydrophobicContact CB-CG2 3.87Å; Q112-V160 HydrophobicContact CG-CG2 3.66Å; A115-V160 HydrophobicContact CB-CG1 4.36Å; Y116-V160 HydrophobicContact CD2-CG1 4.01Å; Y116-V160 HydrophobicContact CG-CG1 4.33Å; I119-V160 HydrophobicContact CD1-CB 4.22Å; I119-V160 HydrophobicContact CD1-CG1 3.87Å; L152-V160 HydrophobicContact CD1-CG2 3.95Å; D156-V160 WeakPolarHBondContact O-CG2 3.34Å; D156-V160 PolarHBondContact O-N 3.32Å; F157-V160 PolarHBondContact O-N 3.07Å; V160-K162 VanDerWaalsContact C-N 3.34Å; V160-K162 PolarHBondContact O-N 3.42Å; V160-R163 WeakPolarHBondContact O-CB 3.44Å; V160-R163 PolarHBondContact O-N 3.1Å; V160-A164 PolarHBondContact O-N 3.48Å |
| 161 | M | 91 | Very high | 89.3 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.02 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.3 | -45.7 | 175.6 | -168.1 | 72 | -176.9 | 0 | 0 | 112.7 | I119 L123 F157 K159 R163 A164 F165 Y183 M186 | I119-M161 HydrophobicContact CD1-CB 4.33Å; I119-M161 HydrophobicContact CD1-SD 4.05Å; I119-M161 HydrophobicContact CG1-SD 4.17Å; I119-M161 HydrophobicContact CG2-SD 3.84Å; L123-M161 HydrophobicContact CD1-CE 3.77Å; L123-M161 HydrophobicContact CD1-SD 4.08Å; F157-M161 VanDerWaalsContact O-CB 3.31Å; F157-M161 WeakPolarHBondContact O-CB 3.22Å; F157-M161 PolarHBondContact O-N 3.31Å; K159-M161 VanDerWaalsContact C-N 3.33Å; K159-M161 PolarHBondContact O-N 3.18Å; M161-R163 VanDerWaalsContact C-N 3.32Å; M161-R163 PolarHBondContact O-N 2.98Å; M161-A164 PolarHBondContact O-N 3.37Å; M161-F165 HydrophobicContact CE-CD2 4.34Å; M161-F165 PolarHBondContact O-N 2.99Å; M161-Y183 HydrophobicContact CE-CD1 4.18Å; M161-Y183 HydrophobicContact CE-CD2 3.84Å; M161-Y183 HydrophobicContact CE-CE1 4.31Å; M161-Y183 HydrophobicContact CE-CE2 3.95Å; M161-Y183 HydrophobicContact CE-CG 3.97Å; M161-Y183 HydrophobicContact CG-CD1 4.38Å; M161-Y183 HydrophobicContact CG-CE1 3.75Å; M161-Y183 HydrophobicContact CG-CE2 4.33Å; M161-M186 HydrophobicContact CE-CE 3.67Å; M161-M186 HydrophobicContact CE-SD 3.22Å; M161-M186 WeakPolarHBondContact CE-SD 3.47Å |
| 162 | K | 90.1 | Very high | 89.6 | Confident | 163 Ų | 163 | 70.7 Ų | 70.7 | 71% | 0.709 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.4 | -28.5 | 175.5 | -77.5 | -174.8 | 174.5 | -170.9 | 0 | 114 | G158 K159 V160 P166 | G158-K162 PolarHBondContact O-N 3.08Å; K159-K162 PolarHBondContact O-N 3.36Å; V160-K162 VanDerWaalsContact C-N 3.34Å; V160-K162 PolarHBondContact O-N 3.42Å; K162-P166 WeakPolarHBondContact O-CA 3.23Å |
| 163 | R | 87.9 | Confident | 89.7 | Confident | 146 Ų | 146 | 74 Ų | 74 | 55% | 0.551 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -77.1 | -35.6 | 175.4 | -67.6 | 176.9 | -174.8 | 155.2 | 0.8 | 112 | Y116 K159 V160 M161 | Y116-R163 HydrophobicContact CE2-CB 4.47Å; K159-R163 PolarHBondContact O-N 3.36Å; V160-R163 WeakPolarHBondContact O-CB 3.44Å; V160-R163 PolarHBondContact O-N 3.1Å; M161-R163 VanDerWaalsContact C-N 3.32Å; M161-R163 PolarHBondContact O-N 2.98Å |
| 164 | A | 87.7 | Confident | 89.7 | Confident | 11 Ų | 11 | 72.3 Ų | 72.3 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.6 | -40.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y116 I119 M120 V160 M161 | Y116-A164 HydrophobicContact CD2-CB 3.92Å; Y116-A164 HydrophobicContact CE2-CB 3.69Å; I119-A164 HydrophobicContact CB-CB 4.46Å; I119-A164 HydrophobicContact CG2-CB 3.53Å; M120-A164 HydrophobicContact CE-CB 3.96Å; M120-A164 HydrophobicContact CG-CB 4.32Å; M120-A164 HydrophobicContact SD-CB 4.12Å; V160-A164 PolarHBondContact O-N 3.48Å; M161-A164 PolarHBondContact O-N 3.37Å |
| 165 | F | 89.2 | Confident | 89.8 | Confident | 18 Ų | 18 | 76.4 Ų | 76.4 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | trans | -130.3 | 82.1 | 179.6 | -66.1 | -77.8 | 0 | 0 | 0 | 111.2 | I119 M120 L123 E125 M161 N167 V168 M186 | I119-F165 HydrophobicContact CG2-CD2 3.78Å; I119-F165 HydrophobicContact CG2-CE2 3.57Å; M120-F165 HydrophobicContact CE-CD1 4.19Å; M120-F165 HydrophobicContact CE-CD2 4.02Å; M120-F165 HydrophobicContact CE-CE1 3.67Å; M120-F165 HydrophobicContact CE-CE2 3.48Å; M120-F165 VanDerWaalsContact CE-CE2 3.48Å; M120-F165 HydrophobicContact CE-CG 4.35Å; M120-F165 HydrophobicContact CE-CZ 3.29Å; L123-F165 HydrophobicContact CB-CE2 4.03Å; L123-F165 HydrophobicContact CB-CZ 4.29Å; E125-F165 HydrophobicContact CB-CD1 4.26Å; E125-F165 HydrophobicContact CB-CE1 4.24Å; M161-F165 HydrophobicContact CE-CD2 4.34Å; M161-F165 PolarHBondContact O-N 2.99Å; F165-N167 VanDerWaalsContact C-N 3.28Å; F165-N167 PolarHBondContact O-N 3Å; F165-V168 HydrophobicContact CB-CB 4.1Å; F165-V168 HydrophobicContact CB-CG2 3.6Å; F165-V168 HydrophobicContact CG-CG2 4.31Å; F165-V168 PolarHBondContact O-N 3.35Å; F165-M186 HydrophobicContact CB-CE 4.48Å; F165-M186 HydrophobicContact CD1-CE 4.09Å; F165-M186 HydrophobicContact CD2-CE 3.39Å; F165-M186 HydrophobicContact CD2-SD 4.46Å; F165-M186 HydrophobicContact CE1-CE 4.1Å; F165-M186 HydrophobicContact CE2-CE 3.39Å; F165-M186 HydrophobicContact CG-CE 3.74Å; F165-M186 HydrophobicContact CZ-CE 3.76Å | ||
| 166 | P | 88.5 | Confident | 89.8 | Confident | 103 Ų | 103 | 85.9 Ų | 85.9 | 67% | 0.669 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.4 | -178.1 | 27.4 | -35.2 | 0 | 0 | 0 | 113.7 | K162 V168 | K162-P166 WeakPolarHBondContact O-CA 3.23Å; P166-V168 VanDerWaalsContact C-N 3.28Å; P166-V168 PolarHBondContact O-N 3.39Å |
| 167 | N | 85.3 | Confident | 89.8 | Confident | 101 Ų | 101 | 88.1 Ų | 88.1 | 54% | 0.54 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.2 | 179.7 | -61.4 | -24.6 | 0 | 0 | 0 | 113.5 | E125 F165 K169 | E125-N167 WeakPolarHBondContact OE1-CB 3.24Å; E125-N167 PolarHBondContact OE1-ND2 3.49Å; E125-N167 VanDerWaalsContact OE1-ND2 3.08Å; E125-N167 PolarHBondContact OE2-ND2 2.85Å; F165-N167 VanDerWaalsContact C-N 3.28Å; F165-N167 PolarHBondContact O-N 3Å; N167-K169 PolarHBondContact O-N 3.05Å |
| 168 | V | 86.7 | Confident | 89.7 | Confident | 22 Ų | 22 | 93.8 Ų | 93.8 | 13% | 0.133 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 116 | -166.1 | 165.8 | 0 | 0 | 0 | 0 | 111.5 | F165 P166 Y183 M186 | F165-V168 HydrophobicContact CB-CB 4.1Å; F165-V168 HydrophobicContact CB-CG2 3.6Å; F165-V168 HydrophobicContact CG-CG2 4.31Å; F165-V168 PolarHBondContact O-N 3.35Å; P166-V168 VanDerWaalsContact C-N 3.28Å; P166-V168 PolarHBondContact O-N 3.39Å; V168-Y183 HydrophobicContact CG1-CD1 3.93Å; V168-Y183 HydrophobicContact CG1-CG 4.25Å; V168-M186 HydrophobicContact CB-CG 4.24Å; V168-M186 HydrophobicContact CB-SD 4.24Å; V168-M186 HydrophobicContact CG1-CG 3.79Å; V168-M186 HydrophobicContact CG1-SD 3.69Å; V168-M186 HydrophobicContact CG2-CE 4.41Å; V168-M186 HydrophobicContact CG2-CG 3.36Å; V168-M186 HydrophobicContact CG2-SD 3.67Å |
| 169 | K | 86 | Confident | 89.6 | Confident | 158 Ų | 158 | 94 Ų | 94 | 69% | 0.687 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 130.6 | -175.4 | -68.9 | 172 | -174.9 | 172.4 | 0 | 110.3 | N167 R171 G184 | N167-K169 PolarHBondContact O-N 3.05Å; K169-R171 PolarHBondContact O-N 2.82Å; K169-G184 PolarHBondContact N-O 3.1Å; K169-G184 WeakPolarHBondContact O-CA 3.32Å; K169-G184 PolarHBondContact O-N 2.91Å |
| 170 | P | 90.8 | Very high | 89.7 | Confident | 98 Ų | 98 | 94.2 Ų | 94.2 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 124.8 | 173.4 | 28 | -33.2 | 0 | 0 | 0 | 109.7 | ||
| 171 | R | 91.3 | Very high | 89.8 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 38% | 0.377 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 150.8 | 171.5 | -64.7 | -160.1 | -92.3 | -136.4 | 1.2 | 109.6 | T129 K169 L173 C182 G184 | T129-R171 PolarHBondContact O-NH2 3.28Å; K169-R171 PolarHBondContact O-N 2.82Å; R171-L173 HydrophobicContact CB-CD2 4.45Å; R171-L173 HydrophobicContact CB-CG 4.37Å; R171-C182 PolarHBondContact N-O 2.84Å; R171-C182 PolarHBondContact O-N 3.18Å; R171-G184 VanDerWaalsContact NE-CA 3.33Å |
| 172 | R | 92.5 | Very high | 89.9 | Confident | 160 Ų | 160 | 100.7 Ų | 100.7 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.6 | 168.9 | -176.9 | 179.7 | 178.7 | -177.1 | -0.5 | 107 | S179 R180 Y181 | R172-S179 PolarHBondContact NE-OG 3.44Å; R172-S179 PolarHBondContact NH2-OG 3.4Å; R172-R180 WeakPolarHBondContact CA-O 3.42Å; R172-Y181 HydrophobicContact CB-CD1 4.22Å; R172-Y181 HydrophobicContact CB-CE1 4.31Å; R172-Y181 HydrophobicContact CG-CD1 4.26Å; R172-Y181 HydrophobicContact CG-CE1 4.12Å |
| 173 | L | 90.1 | Very high | 90.1 | Very high | 73 Ų | 73 | 94.1 Ų | 94.1 | 38% | 0.382 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 159.2 | -170.3 | -60 | 178.7 | 0 | 0 | 0 | 110.4 | C130 R171 S179 R180 C182 | C130-L173 HydrophobicContact CB-CD1 4.39Å; C130-L173 WeakPolarHBondContact SG-CD1 3.47Å; R171-L173 HydrophobicContact CB-CD2 4.45Å; R171-L173 HydrophobicContact CB-CG 4.37Å; L173-S179 CarbonylContact O-C 3.44Å; L173-S179 WeakPolarHBondContact O-CA 3.3Å; L173-R180 PolarHBondContact N-O 3.01Å; L173-R180 PolarHBondContact O-N 2.94Å; L173-C182 HydrophobicContact CD1-CB 4.22Å |
| 174 | G | 90.8 | Very high | 90.2 | Very high | 65 Ų | 65 | 87.4 Ų | 87.4 | 67% | 0.67 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 90.2 | 163.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 175 | Q | 91.6 | Very high | 90.2 | Very high | 165 Ų | 165 | 87.4 Ų | 87.4 | 77% | 0.771 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -71.1 | 168.7 | -170.2 | -60.9 | 179.4 | 3.3 | 0 | 0 | 113.6 | G177 Q178 S179 | Q175-G177 PolarHBondContact O-N 3.08Å; Q175-Q178 CarbonylContact O-C 3.13Å; Q175-Q178 PolarHBondContact O-N 2.66Å; Q175-S179 PolarHBondContact O-N 3.46Å |
| 176 | R | 91.6 | Very high | 90.2 | Very high | 257 Ų | 257 | 86.5 Ų | 86.5 | 97% | 0.97 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 127.2 | 173.2 | -173.6 | 176.4 | -179.1 | 173 | -0.3 | 109.7 | Q178 | R176-Q178 VanDerWaalsContact C-N 3.29Å; R176-Q178 PolarHBondContact O-N 2.77Å |
| 177 | G | 90.8 | Very high | 90.1 | Very high | 73 Ų | 73 | 86 Ų | 86 | 75% | 0.753 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -25.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q175 | Q175-G177 PolarHBondContact O-N 3.08Š|
| 178 | Q | 89.6 | Confident | 90.1 | Very high | 120 Ų | 120 | 85.4 Ų | 85.4 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 1.7 | 178.2 | -70.5 | -62.3 | -10.2 | 0 | 0 | 114.8 | Q175 R176 R180 | Q175-Q178 CarbonylContact O-C 3.13Å; Q175-Q178 PolarHBondContact O-N 2.66Å; R176-Q178 VanDerWaalsContact C-N 3.29Å; R176-Q178 PolarHBondContact O-N 2.77Å; Q178-R180 PolarHBondContact O-N 3.16Å; Q178-R180 PolarHBondContact O-NE 3.42Å; Q178-R180 VanDerWaalsContact O-NE 3.1Å |
| 179 | S | 90.1 | Very high | 89.9 | Confident | 27 Ų | 27 | 88.1 Ų | 88.1 | 19% | 0.189 | 43% | 0.426 | C | S | . | . | trans | -56.8 | 127.5 | -174.7 | 69.9 | 0 | 0 | 0 | 0 | 113.4 | R172 L173 Q175 | R172-S179 PolarHBondContact NE-OG 3.44Å; R172-S179 PolarHBondContact NH2-OG 3.4Å; L173-S179 CarbonylContact O-C 3.44Å; L173-S179 WeakPolarHBondContact O-CA 3.3Å; Q175-S179 PolarHBondContact O-N 3.46Å | ||
| 180 | R | 91 | Very high | 88.8 | Confident | 112 Ų | 112 | 87 Ų | 87 | 42% | 0.423 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 157.9 | 175.6 | -52.3 | -60.8 | 157.4 | 158.7 | -5.6 | 110.8 | R172 L173 Q178 | R172-R180 WeakPolarHBondContact CA-O 3.42Å; L173-R180 PolarHBondContact N-O 3.01Å; L173-R180 PolarHBondContact O-N 2.94Å; Q178-R180 PolarHBondContact O-N 3.16Å; Q178-R180 PolarHBondContact O-NE 3.42Å; Q178-R180 VanDerWaalsContact O-NE 3.1Å |
| 181 | Y | 94.2 | Very high | 86.7 | Confident | 137 Ų | 137 | 88.3 Ų | 88.3 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135.6 | 175.1 | -66.2 | -76.6 | 0 | 0 | 0 | 109.9 | K133 R172 | K133-Y181 WeakPolarHBondContact CB-O 3.31Å; K133-Y181 WeakPolarHBondContact CG-O 3.31Å; K133-Y181 PolarHBondContact N-O 2.62Å; R172-Y181 HydrophobicContact CB-CD1 4.22Å; R172-Y181 HydrophobicContact CB-CE1 4.31Å; R172-Y181 HydrophobicContact CG-CD1 4.26Å; R172-Y181 HydrophobicContact CG-CE1 4.12Å |
| 182 | C | 92.7 | Very high | 84.8 | Confident | 6 Ų | 6 | 89.8 Ų | 89.8 | 4% | 0.041 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 156 | -178.3 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | C130 L131 R171 L173 | C130-C182 HydrophobicContact CB-CB 4.23Å; L131-C182 CarbonylContact O-C 2.91Å; L131-C182 WeakPolarHBondContact O-CA 3.16Å; L131-C182 WeakPolarHBondContact O-CB 3.28Å; R171-C182 PolarHBondContact N-O 2.84Å; R171-C182 PolarHBondContact O-N 3.18Å; L173-C182 HydrophobicContact CD1-CB 4.22Å |
| 183 | Y | 94.1 | Very high | 82.3 | Confident | 24 Ų | 24 | 87.2 Ų | 87.2 | 9% | 0.094 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.6 | 159.9 | -63.7 | -63.7 | 0 | 0 | 0 | 108 | C130 L131 K133 V136 M161 V168 M186 | C130-Y183 CarbonylContact C-O 3.53Å; C130-Y183 WeakPolarHBondContact CA-O 3.46Å; C130-Y183 VanDerWaalsContact CB-O 3.27Å; C130-Y183 WeakPolarHBondContact CB-O 3.45Å; L131-Y183 PolarHBondContact N-O 3.06Å; L131-Y183 VanDerWaalsContact N-O 3.08Å; L131-Y183 PolarHBondContact O-N 2.73Å; K133-Y183 HydrophobicContact CB-CE2 4.07Å; K133-Y183 HydrophobicContact CD-CE1 4.03Å; K133-Y183 HydrophobicContact CD-CE2 4.29Å; K133-Y183 HydrophobicContact CG-CD1 4.38Å; K133-Y183 HydrophobicContact CG-CD2 3.88Å; K133-Y183 HydrophobicContact CG-CE1 4.13Å; K133-Y183 HydrophobicContact CG-CE2 3.62Å; K133-Y183 HydrophobicContact CG-CG 4.25Å; V136-Y183 HydrophobicContact CB-CE2 4.38Å; V136-Y183 HydrophobicContact CG1-CE2 4.25Å; V136-Y183 HydrophobicContact CG2-CD2 4.48Å; M161-Y183 HydrophobicContact CE-CD1 4.18Å; M161-Y183 HydrophobicContact CE-CD2 3.84Å; M161-Y183 HydrophobicContact CE-CE1 4.31Å; M161-Y183 HydrophobicContact CE-CE2 3.95Å; M161-Y183 HydrophobicContact CE-CG 3.97Å; M161-Y183 HydrophobicContact CG-CD1 4.38Å; M161-Y183 HydrophobicContact CG-CE1 3.75Å; M161-Y183 HydrophobicContact CG-CE2 4.33Å; V168-Y183 HydrophobicContact CG1-CD1 3.93Å; V168-Y183 HydrophobicContact CG1-CG 4.25Å; Y183-M186 HydrophobicContact CG-SD 4.3Å |
| 184 | G | 90.4 | Very high | 80.1 | Confident | 6 Ų | 6 | 87.4 Ų | 87.4 | 6% | 0.062 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 132.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K169 R171 | K169-G184 PolarHBondContact N-O 3.1Å; K169-G184 WeakPolarHBondContact O-CA 3.32Å; K169-G184 PolarHBondContact O-N 2.91Å; R171-G184 VanDerWaalsContact NE-CA 3.33Å |
| 185 | G | 87.1 | Confident | 77.9 | Confident | 10 Ų | 10 | 90.1 Ų | 90.1 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.9 | 33.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E125 D126 T129 | E125-G185 WeakPolarHBondContact CA-O 3.38Å; E125-G185 WeakPolarHBondContact CG-O 3.29Å; D126-G185 PolarHBondContact N-O 2.95Å; D126-G185 CarbonylContact O-C 3.59Å; D126-G185 WeakPolarHBondContact O-CA 3.48Å; T129-G185 PolarHBondContact O-N 3.44Å |
| 186 | M | 88.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 91.2 Ų | 91.2 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 143.3 | -175.9 | -64.7 | -159.5 | 84 | 0 | 0 | 113.7 | L123 E124 D126 T129 C130 L131 M161 F165 V168 Y183 | L123-M186 HydrophobicContact CB-CE 3.78Å; L123-M186 HydrophobicContact CD1-CE 4.29Å; E124-M186 WeakPolarHBondContact O-CA 3.43Å; D126-M186 PolarHBondContact O-N 3.4Å; D126-M186 VanDerWaalsContact O-N 3.14Å; T129-M186 CarbonylContact C-O 3.53Å; T129-M186 WeakPolarHBondContact CB-O 3.11Å; T129-M186 PolarHBondContact OG1-O 2.81Å; C130-M186 PolarHBondContact N-O 3.13Å; L131-M186 HydrophobicContact CD1-CB 4.38Å; L131-M186 HydrophobicContact CG-CB 4.49Å; M161-M186 HydrophobicContact CE-CE 3.67Å; M161-M186 HydrophobicContact CE-SD 3.22Å; M161-M186 WeakPolarHBondContact CE-SD 3.47Å; F165-M186 HydrophobicContact CB-CE 4.48Å; F165-M186 HydrophobicContact CD1-CE 4.09Å; F165-M186 HydrophobicContact CD2-CE 3.39Å; F165-M186 HydrophobicContact CD2-SD 4.46Å; F165-M186 HydrophobicContact CE1-CE 4.1Å; F165-M186 HydrophobicContact CE2-CE 3.39Å; F165-M186 HydrophobicContact CG-CE 3.74Å; F165-M186 HydrophobicContact CZ-CE 3.76Å; V168-M186 HydrophobicContact CB-CG 4.24Å; V168-M186 HydrophobicContact CB-SD 4.24Å; V168-M186 HydrophobicContact CG1-CG 3.79Å; V168-M186 HydrophobicContact CG1-SD 3.69Å; V168-M186 HydrophobicContact CG2-CE 4.41Å; V168-M186 HydrophobicContact CG2-CG 3.36Å; V168-M186 HydrophobicContact CG2-SD 3.67Å; Y183-M186 HydrophobicContact CG-SD 4.3Å |
| 187 | R | 86.4 | Confident | 72.8 | Confident | 93 Ų | 93 | 86.1 Ų | 86.1 | 35% | 0.351 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 164.1 | 165.9 | 66.5 | -179.7 | 179.7 | -146.4 | 7.9 | 111.5 | E124 D126 T129 | E124-R187 HydrophobicContact CB-CG 4.03Å; E124-R187 VanDerWaalsContact CD-NE 3.35Å; E124-R187 PolarHBondContact N-O 2.92Å; E124-R187 PolarHBondContact O-N 3.21Å; E124-R187 IonicContact OE1-CZ 2.78Å; E124-R187 IonicContact OE1-NE 2.7Å; E124-R187 IonicContact OE1-NH2 2.74Å; E124-R187 PolarHBondContact OE1-NH2 3Å; E124-R187 IonicContact OE2-CZ 3.19Å; E124-R187 VanDerWaalsContact OE2-CZ 3.32Å; E124-R187 IonicContact OE2-NE 2.68Å; E124-R187 PolarHBondContact OE2-NE 3.5Å; E124-R187 IonicContact OE2-NH2 2.69Å; E124-R187 PolarHBondContact OE2-NH2 3.23Å; D126-R187 HydrophobicContact CB-CB 4.32Å; D126-R187 HydrophobicContact CB-CG 3.86Å; D126-R187 WeakPolarHBondContact OD2-CD 3.06Å; D126-R187 IonicContact OD2-CZ 2.66Å; D126-R187 IonicContact OD2-NE 3.45Å; D126-R187 IonicContact OD2-NH1 3.24Å; D126-R187 PolarHBondContact OD2-NH1 3.39Å; T129-R187 HydrophobicContact CG2-CB 4.47Å; T129-R187 PolarHBondContact OG1-N 3.21Å |
| 188 | K | 86.5 | Confident | 70.6 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 38% | 0.378 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 139.2 | 167.6 | -166.8 | 171.1 | -175 | 170.5 | 0 | 107.3 | H122 L123 L131 D139 T190 | H122-K188 WeakPolarHBondContact O-CG 3.12Å; L123-K188 HydrophobicContact CD2-CG 4.45Å; L131-K188 HydrophobicContact CD1-CB 4.49Å; L131-K188 HydrophobicContact CD2-CB 4.43Å; D139-K188 IonicContact OD1-NZ 3.04Å; D139-K188 PolarHBondContact OD1-NZ 3.42Å; D139-K188 WeakPolarHBondContact OD2-CE 3.18Å; D139-K188 IonicContact OD2-NZ 2.75Å; D139-K188 PolarHBondContact OD2-NZ 3.26Å; K188-T190 PolarHBondContact O-N 3.47Å; K188-T190 PolarHBondContact O-OG1 3.49Å |
| 189 | K | 81.8 | Confident | 68.1 | Low | 80 Ų | 80 | 86.2 Ų | 86.2 | 35% | 0.348 | 43% | 0.433 | S | S | . | . | trans | -74.6 | 95.2 | -175 | -167 | -175.9 | -173.4 | -175.3 | 0 | 110 | S121 H122 E124 E191 | S121-K189 WeakPolarHBondContact O-CD 3.48Å; H122-K189 PolarHBondContact O-N 3.22Å; E124-K189 HydrophobicContact CB-CB 4.46Å; K189-E191 VanDerWaalsContact C-N 3.31Å; K189-E191 VanDerWaalsContact CE-O 3.24Å; K189-E191 WeakPolarHBondContact CE-O 3.27Å | ||
| 190 | T | 62.5 | Low | 66 | Low | 135 Ų | 135 | 90.6 Ų | 90.6 | 83% | 0.828 | 45% | 0.453 | S | S | * | . | trans | -70.2 | -28.9 | -178.3 | -48.7 | 0 | 0 | 0 | 0 | 112.4 | K188 | K188-T190 PolarHBondContact O-N 3.47Å; K188-T190 PolarHBondContact O-OG1 3.49Å | ||
| 191 | E | 46.5 | Very low | 63.8 | Low | 125 Ų | 125 | 89.1 Ų | 89.1 | 58% | 0.584 | 46% | 0.457 | S | S | * | . | trans | -100.6 | 95.2 | 177.8 | -167.7 | -177.3 | 149.7 | 0 | 0 | 111 | K189 Q193 | K189-E191 VanDerWaalsContact C-N 3.31Å; K189-E191 VanDerWaalsContact CE-O 3.24Å; K189-E191 WeakPolarHBondContact CE-O 3.27Å; E191-Q193 VanDerWaalsContact C-N 3.32Å; E191-Q193 HydrophobicContact CG-CG 4.47Å; E191-Q193 PolarHBondContact O-N 3.26Å; E191-Q193 VanDerWaalsContact O-N 3.15Å; E191-Q193 WeakPolarHBondContact OE1-CG 3.45Å; E191-Q193 PolarHBondContact OE1-NE2 2.89Å | ||
| 192 | I | 51.4 | Low | 61.2 | Low | 131 Ų | 131 | 87.2 Ų | 87.2 | 67% | 0.672 | 46% | 0.456 | S | S | * | . | trans | -78.1 | 91.3 | 158.7 | -51.1 | 176.3 | 0 | 0 | 0 | 106.3 | P194 | I192-P194 WeakPolarHBondContact O-CD 3.4Å; I192-P194 VanDerWaalsContact O-N 3.1Å | ||
| 193 | Q | 40 | Very low | 59 | Low | 105 Ų | 105 | 93.9 Ų | 93.9 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | trans | -47.5 | 118.8 | 161.3 | -89.4 | -74.2 | -28.6 | 0 | 0 | 107.7 | E191 | E191-Q193 VanDerWaalsContact C-N 3.32Å; E191-Q193 HydrophobicContact CG-CG 4.47Å; E191-Q193 PolarHBondContact O-N 3.26Å; E191-Q193 VanDerWaalsContact O-N 3.15Å; E191-Q193 WeakPolarHBondContact OE1-CG 3.45Å; E191-Q193 PolarHBondContact OE1-NE2 2.89Å | ||
| 194 | P | 44.9 | Very low | 56.5 | Low | 78 Ų | 78 | 96.7 Ų | 96.7 | 51% | 0.506 | 52% | 0.515 | S | S | . | . | trans | -60.7 | 146.7 | -179.8 | 26.5 | -33.8 | 0 | 0 | 0 | 108.4 | I192 Y196 | I192-P194 WeakPolarHBondContact O-CD 3.4Å; I192-P194 VanDerWaalsContact O-N 3.1Å; P194-Y196 VanDerWaalsContact C-N 3.3Å; P194-Y196 HydrophobicContact CG-CE2 4.41Å; P194-Y196 PolarHBondContact O-N 3.14Å | ||
| 195 | P | 43.5 | Very low | 54.2 | Low | 122 Ų | 122 | 102.7 Ų | 102.7 | 79% | 0.792 | 54% | 0.544 | S | S | * | . | trans | -63.5 | 98.2 | 172.2 | 27.2 | -32.8 | 0 | 0 | 0 | 108 | L197 | P195-L197 PolarHBondContact O-N 2.95Š| ||
| 196 | Y | 39.6 | Very low | 52 | Low | 187 Ų | 187 | 105.3 Ų | 105.3 | 73% | 0.733 | 57% | 0.571 | S | S | * | * | trans | -57.9 | 109.1 | 172.4 | -90.3 | -90.6 | 0 | 0 | 0 | 107.7 | P194 | P194-Y196 VanDerWaalsContact C-N 3.3Å; P194-Y196 HydrophobicContact CG-CE2 4.41Å; P194-Y196 PolarHBondContact O-N 3.14Å | ||
| 197 | L | 36.7 | Very low | 49.9 | Very low | 150 Ų | 150 | 111.4 Ų | 111.4 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | trans | -55.2 | 135.9 | 157.7 | -64.7 | 173 | 0 | 0 | 0 | 106.6 | P195 D199 | P195-L197 PolarHBondContact O-N 2.95Å; L197-D199 PolarHBondContact O-N 3.1Å; L197-D199 VanDerWaalsContact O-N 3.09Å | ||
| 198 | P | 45.2 | Very low | 47.7 | Very low | 103 Ų | 103 | 113.1 Ų | 113.1 | 67% | 0.669 | 62% | 0.619 | S | S | * | * | trans | -57.2 | 121.8 | 170.1 | 25.1 | -32.5 | 0 | 0 | 0 | 107.4 | L200 | P198-L200 VanDerWaalsContact C-N 3.27Å; P198-L200 PolarHBondContact O-N 3.42Å | ||
| 199 | D | 37.3 | Very low | 45.3 | Very low | 93 Ų | 93 | 113.9 Ų | 113.9 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | trans | -75.7 | 84.5 | -174.3 | -177.6 | 7.3 | 0 | 0 | 0 | 110.4 | L197 T201 N202 | L197-D199 PolarHBondContact O-N 3.1Å; L197-D199 VanDerWaalsContact O-N 3.09Å; D199-T201 VanDerWaalsContact CG-OG1 3.31Å; D199-T201 PolarHBondContact O-N 2.94Å; D199-T201 WeakPolarHBondContact OD1-CB 3.18Å; D199-T201 WeakPolarHBondContact OD1-CG2 3.38Å; D199-T201 PolarHBondContact OD1-N 3.37Å; D199-T201 VanDerWaalsContact OD1-N 3.14Å; D199-T201 PolarHBondContact OD1-OG1 2.82Å; D199-T201 PolarHBondContact OD2-OG1 3.47Å; D199-N202 PolarHBondContact O-N 3.35Å; D199-N202 PolarHBondContact OD2-ND2 3.34Å | ||
| 200 | L | 45.9 | Very low | 43.5 | Very low | 118 Ų | 118 | 118.2 Ų | 118.2 | 62% | 0.618 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60 | -14 | -179.5 | -68.4 | 169.2 | 0 | 0 | 0 | 112.9 | P198 N202 E203 A204 | P198-L200 VanDerWaalsContact C-N 3.27Å; P198-L200 PolarHBondContact O-N 3.42Å; L200-N202 VanDerWaalsContact C-N 3.33Å; L200-N202 PolarHBondContact O-N 2.99Å; L200-E203 PolarHBondContact O-N 2.8Å; L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.35Å |
| 201 | T | 44.1 | Very low | 42.4 | Very low | 81 Ų | 81 | 118.3 Ų | 118.3 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -64.6 | -38 | 179.9 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | D199 L205 | D199-T201 VanDerWaalsContact CG-OG1 3.31Å; D199-T201 PolarHBondContact O-N 2.94Å; D199-T201 WeakPolarHBondContact OD1-CB 3.18Å; D199-T201 WeakPolarHBondContact OD1-CG2 3.38Å; D199-T201 PolarHBondContact OD1-N 3.37Å; D199-T201 VanDerWaalsContact OD1-N 3.14Å; D199-T201 PolarHBondContact OD1-OG1 2.82Å; D199-T201 PolarHBondContact OD2-OG1 3.47Å; T201-L205 PolarHBondContact O-N 2.95Å |
| 202 | N | 41.5 | Very low | 42.3 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 52% | 0.524 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75.5 | -30.4 | -179.1 | -66.4 | -67 | 0 | 0 | 0 | 112.7 | D199 L200 G206 | D199-N202 PolarHBondContact O-N 3.35Å; D199-N202 PolarHBondContact OD2-ND2 3.34Å; L200-N202 VanDerWaalsContact C-N 3.33Å; L200-N202 PolarHBondContact O-N 2.99Å; N202-G206 PolarHBondContact O-N 3.27Å |
| 203 | E | 45.8 | Very low | 41.5 | Very low | 146 Ų | 146 | 119.2 Ų | 119.2 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -86 | -31 | 175.4 | -64 | -161.7 | 176.2 | 0 | 0 | 112.9 | L200 | L200-E203 PolarHBondContact O-N 2.8Å |
| 204 | A | 41.2 | Very low | 41.4 | Very low | 83 Ų | 83 | 117.2 Ų | 117.2 | 69% | 0.686 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -74.2 | -23.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L200 | L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.35Å |
| 205 | L | 42.8 | Very low | 41.1 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 69% | 0.686 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -99.5 | -13.2 | 176.5 | -66 | 177.8 | 0 | 0 | 0 | 114.1 | T201 I207 | T201-L205 PolarHBondContact O-N 2.95Å; L205-I207 HydrophobicContact CB-CD1 4.45Å; L205-I207 PolarHBondContact O-N 3.41Å |
| 206 | G | 40.1 | Very low | 40.9 | Very low | 65 Ų | 65 | 124.7 Ų | 124.7 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | trans | 68.7 | 11.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | N202 N208 | N202-G206 PolarHBondContact O-N 3.27Å; G206-N208 PolarHBondContact O-N 3.32Å | ||
| 207 | I | 44.5 | Very low | 41.1 | Very low | 128 Ų | 128 | 123 Ų | 123 | 66% | 0.656 | 71% | 0.705 | S | S | * | * | trans | -94.5 | 87.8 | -177.7 | -56.5 | 160.6 | 0 | 0 | 0 | 109.6 | L205 | L205-I207 HydrophobicContact CB-CD1 4.45Å; L205-I207 PolarHBondContact O-N 3.41Å | ||
| 208 | N | 39.2 | Very low | 41.2 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 69% | 0.69 | 70% | 0.703 | S | S | * | * | trans | -139 | 82.6 | 163.3 | -156.5 | -20.9 | 0 | 0 | 0 | 111.5 | G206 Q210 | G206-N208 PolarHBondContact O-N 3.32Å; N208-Q210 PolarHBondContact O-N 2.87Å | ||
| 209 | S | 37.9 | Very low | 41 | Very low | 103 Ų | 103 | 120 Ų | 120 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | trans | -74.4 | 81.4 | -170.7 | -60 | 0 | 0 | 0 | 0 | 113.4 | N211 | S209-N211 PolarHBondContact O-N 2.96Š| ||
| 210 | Q | 42.4 | Very low | 41.2 | Very low | 172 Ų | 172 | 121.8 Ų | 121.8 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -74.9 | 68 | 166.7 | -62.2 | -170.1 | 8.9 | 0 | 0 | 111 | N208 I212 | N208-Q210 PolarHBondContact O-N 2.87Å; Q210-I212 PolarHBondContact O-N 3.11Å | ||
| 211 | N | 39.3 | Very low | 40.8 | Very low | 136 Ų | 136 | 120 Ų | 120 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -78.4 | 115.6 | -176.5 | -169.6 | -1.8 | 0 | 0 | 0 | 112.2 | S209 S213 | S209-N211 PolarHBondContact O-N 2.96Å; N211-S213 PolarHBondContact O-N 2.66Å | ||
| 212 | I | 44.8 | Very low | 40.6 | Very low | 159 Ų | 159 | 121.6 Ų | 121.6 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | trans | -80.9 | 100.5 | 179.9 | -59.9 | 165 | 0 | 0 | 0 | 109.7 | Q210 | Q210-I212 PolarHBondContact O-N 3.11Š| ||
| 213 | S | 35.9 | Very low | 40.5 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -92.6 | 106.8 | 170.8 | -70.6 | 0 | 0 | 0 | 0 | 110.6 | N211 | N211-S213 PolarHBondContact O-N 2.66Š| ||
| 214 | G | 37 | Very low | 40.3 | Very low | 64 Ų | 64 | 120.6 Ų | 120.6 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | -170.1 | 10.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 215 | R | 39.5 | Very low | 40.1 | Very low | 253 Ų | 253 | 120.5 Ų | 120.5 | 96% | 0.955 | 78% | 0.775 | S | S | * | * | trans | -170 | 164.8 | 156.1 | -110.8 | 157.2 | -166.1 | -105.6 | -0.9 | 114.1 | ||||
| 216 | S | 39.5 | Very low | 39.6 | Very low | 104 Ų | 104 | 118 Ų | 118 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -142.8 | 166.1 | -158.4 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 217 | V | 43.2 | Very low | 39.3 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 92% | 0.915 | 79% | 0.788 | S | S | * | * | trans | 75.7 | 126.4 | 169.4 | -168.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 218 | G | 37.6 | Very low | 38.8 | Very low | 74 Ų | 74 | 122.7 Ų | 122.7 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 151.8 | 43.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 219 | S | 41.5 | Very low | 38.4 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -77.4 | 175 | 173.9 | -46.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 220 | P | 42.9 | Very low | 38.1 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | -127.5 | 177.1 | -50.1 | 37 | -21.7 | 0 | 0 | 0 | 112.1 | |||||
| 221 | G | 37 | Very low | 37.6 | Very low | 79 Ų | 79 | 120 Ų | 120 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -177.2 | 113 | 173 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 222 | S | 39.8 | Very low | 37.4 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -64.2 | 155.3 | -168.6 | -50.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 223 | S | 39.8 | Very low | 36.7 | Very low | 103 Ų | 103 | 119 Ų | 119 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | 77.6 | 119.3 | 135.9 | 54.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 224 | S | 40.2 | Very low | 36.5 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | 68.4 | 137.1 | 135.5 | 63 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 225 | G | 36.9 | Very low | 36.3 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 178.9 | -24.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 226 | G | 32.5 | Very low | 35.9 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 77.1 | 168.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 227 | S | 35.2 | Very low | 35.9 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -14 | 150.3 | 167.4 | -74.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 228 | F | 32.5 | Very low | 35.6 | Very low | 177 Ų | 177 | 122.1 Ų | 122.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | cis | -160.9 | 169.3 | 15.5 | 46.6 | -82.9 | 0 | 0 | 0 | 114 | ||||
| 229 | E | 31 | Very low | 35.7 | Very low | 171 Ų | 171 | 124.1 Ų | 124.1 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | 63.2 | 128.7 | 160.6 | -68.4 | -163.3 | 116.6 | 0 | 0 | 124.1 | ||||
| 230 | A | 32.1 | Very low | 35.7 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | 49.7 | 84.1 | 136.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 231 | G | 31.8 | Very low | 35.6 | Very low | 74 Ų | 74 | 119.3 Ų | 119.3 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | trans | -146.3 | 27.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 232 | S | 34.3 | Very low | 35.7 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 61.7 | 164.4 | 162.5 | -157.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 233 | Q | 31.7 | Very low | 36.2 | Very low | 162 Ų | 162 | 119.7 Ų | 119.7 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | 74.3 | 126.9 | 157.3 | -111.7 | 175.5 | -76.2 | 0 | 0 | 122.1 | ||||
| 234 | R | 31.2 | Very low | 36.4 | Very low | 211 Ų | 211 | 122.5 Ų | 122.5 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | trans | 78.8 | 74.2 | 157.9 | -56 | -179.1 | -68.2 | -172.6 | -1.2 | 118.2 | ||||
| 235 | H | 31.5 | Very low | 36.4 | Very low | 174 Ų | 174 | 120.3 Ų | 120.3 | 81% | 0.806 | 70% | 0.698 | S | S | * | * | trans | -99.9 | 113.8 | 146.5 | -127.8 | -102.1 | 0 | 0 | 0 | 109.8 | ||||
| 236 | M | 31.8 | Very low | 36.8 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 84% | 0.837 | 69% | 0.686 | S | S | * | * | trans | -75.9 | 130.4 | 166.1 | -69.4 | -78.6 | 126.5 | 0 | 0 | 107.5 | ||||
| 237 | S | 40.5 | Very low | 37.2 | Very low | 77 Ų | 77 | 126 Ų | 126 | 54% | 0.538 | 68% | 0.682 | S | S | . | * | trans | -149.8 | 125.2 | -178.7 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | N239 | S237-N239 PolarHBondContact O-N 2.68Š| ||
| 238 | S | 37 | Very low | 37.3 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 85% | 0.853 | 67% | 0.669 | S | S | * | * | trans | -76.8 | 96.2 | -173.1 | 32.2 | 0 | 0 | 0 | 0 | 111.7 | S240 | S238-S240 PolarHBondContact O-N 2.91Å; S238-S240 VanDerWaalsContact O-N 3.1Å | ||
| 239 | N | 38.6 | Very low | 37.6 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 62% | 0.615 | 67% | 0.67 | S | S | * | * | trans | -83.8 | 78.5 | -177.3 | -69.2 | -38 | 0 | 0 | 0 | 112.8 | S237 R244 | S237-N239 PolarHBondContact O-N 2.68Å; N239-R244 PolarHBondContact OD1-NH2 3.33Å | ||
| 240 | S | 40.9 | Very low | 37.6 | Very low | 55 Ų | 55 | 118 Ų | 118 | 39% | 0.385 | 67% | 0.666 | S | S | . | * | trans | -89.4 | 128.3 | 157.2 | 62.7 | 0 | 0 | 0 | 0 | 109.6 | S238 L242 I243 | S238-S240 PolarHBondContact O-N 2.91Å; S238-S240 VanDerWaalsContact O-N 3.1Å; S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 2.97Å; S240-I243 PolarHBondContact O-N 2.89Å; S240-I243 VanDerWaalsContact OG-CG1 3.22Å; S240-I243 WeakPolarHBondContact OG-CG1 3.28Å | ||
| 241 | P | 42.3 | Very low | 37.8 | Very low | 92 Ų | 92 | 118 Ų | 118 | 60% | 0.597 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -59.4 | -36.2 | -178.8 | -27.6 | 35.9 | 0 | 0 | 0 | 113.7 | I243 R244 L245 | P241-I243 PolarHBondContact O-N 2.86Å; P241-R244 PolarHBondContact O-N 3.25Å; P241-L245 PolarHBondContact O-N 3.44Å |
| 242 | L | 37.6 | Very low | 37.9 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -55 | -44.3 | 180 | -102.1 | 164.2 | 0 | 0 | 0 | 113.7 | S240 R244 L245 L246 | S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 2.97Å; L242-R244 PolarHBondContact O-N 3.22Å; L242-L245 PolarHBondContact O-N 3.49Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.21Å; L242-L246 VanDerWaalsContact O-N 3.08Å |
| 243 | I | 50.4 | Low | 38 | Very low | 73 Ų | 73 | 121 Ų | 121 | 37% | 0.374 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -69.7 | -22.5 | -176.4 | -65.9 | -67.8 | 0 | 0 | 0 | 112.3 | S240 P241 | S240-I243 PolarHBondContact O-N 2.89Å; S240-I243 VanDerWaalsContact OG-CG1 3.22Å; S240-I243 WeakPolarHBondContact OG-CG1 3.28Å; P241-I243 PolarHBondContact O-N 2.86Å |
| 244 | R | 44.5 | Very low | 38.2 | Very low | 162 Ų | 162 | 119 Ų | 119 | 61% | 0.611 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.2 | -45.7 | 172.8 | -61.4 | -174.2 | -178.2 | -174.2 | 0.4 | 111.1 | N239 P241 L242 L246 K247 S248 | N239-R244 PolarHBondContact OD1-NH2 3.33Å; P241-R244 PolarHBondContact O-N 3.25Å; L242-R244 PolarHBondContact O-N 3.22Å; R244-L246 VanDerWaalsContact C-N 3.3Å; R244-L246 PolarHBondContact O-N 3.4Å; R244-K247 PolarHBondContact O-N 3.32Å; R244-K247 VanDerWaalsContact O-N 3.07Å; R244-S248 PolarHBondContact O-N 2.93Å |
| 245 | L | 40.7 | Very low | 38.7 | Very low | 74 Ų | 74 | 116.7 Ų | 116.7 | 39% | 0.387 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -64.5 | -33.9 | -179.9 | -133.1 | 76.3 | 0 | 0 | 0 | 112.6 | P241 L242 K247 S248 | P241-L245 PolarHBondContact O-N 3.44Å; L242-L245 PolarHBondContact O-N 3.49Å; L245-K247 PolarHBondContact O-N 3.3Å; L245-S248 PolarHBondContact O-OG 2.99Å; L245-S248 VanDerWaalsContact O-OG 3.06Å |
| 246 | L | 44.9 | Very low | 39.2 | Very low | 112 Ų | 112 | 112.2 Ų | 112.2 | 59% | 0.586 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -13.2 | 174.9 | -72.4 | 165.4 | 0 | 0 | 0 | 113.8 | L242 R244 | L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.21Å; L242-L246 VanDerWaalsContact O-N 3.08Å; R244-L246 VanDerWaalsContact C-N 3.3Å; R244-L246 PolarHBondContact O-N 3.4Å |
| 247 | K | 40.9 | Very low | 39.7 | Very low | 169 Ų | 169 | 108.2 Ų | 108.2 | 74% | 0.735 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -6.6 | -178.2 | -75.3 | -178.5 | 173.7 | 179.8 | 0 | 114.8 | R244 L245 | R244-K247 PolarHBondContact O-N 3.32Å; R244-K247 VanDerWaalsContact O-N 3.07Å; L245-K247 PolarHBondContact O-N 3.3Å |
| 248 | S | 38 | Very low | 39.9 | Very low | 76 Ų | 76 | 109.6 Ų | 109.6 | 53% | 0.531 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -85.3 | -12.9 | 174.1 | 47.8 | 0 | 0 | 0 | 0 | 114.1 | R244 L245 G250 | R244-S248 PolarHBondContact O-N 2.93Å; L245-S248 PolarHBondContact O-OG 2.99Å; L245-S248 VanDerWaalsContact O-OG 3.06Å; S248-G250 VanDerWaalsContact C-N 3.28Å; S248-G250 PolarHBondContact O-N 3.02Å |
| 249 | N | 37.8 | Very low | 40.2 | Very low | 147 Ų | 147 | 105.3 Ų | 105.3 | 79% | 0.786 | 61% | 0.606 | S | S | * | * | trans | -82.5 | 68.5 | 179.2 | -66.9 | -6.6 | 0 | 0 | 0 | 110.8 | ||||
| 250 | G | 32.1 | Very low | 40.5 | Very low | 71 Ų | 71 | 104.8 Ų | 104.8 | 73% | 0.732 | 60% | 0.604 | S | S | * | * | trans | -162 | 26.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | S248 | S248-G250 VanDerWaalsContact C-N 3.28Å; S248-G250 PolarHBondContact O-N 3.02Å | ||
| 251 | S | 36.3 | Very low | 41 | Very low | 100 Ų | 100 | 104 Ų | 104 | 70% | 0.699 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -162.2 | 134.1 | 167.1 | 56 | 0 | 0 | 0 | 0 | 111.6 | A253 | S251-A253 PolarHBondContact O-N 2.99Š|
| 252 | D | 32.2 | Very low | 41.5 | Very low | 175 Ų | 175 | 104.2 Ų | 104.2 | 94% | 0.936 | 60% | 0.597 | S | S | * | * | trans | -75.3 | 99.3 | -176.8 | -51.6 | -93.7 | 0 | 0 | 0 | 112.3 | ||||
| 253 | A | 36.5 | Very low | 42.3 | Very low | 76 Ų | 76 | 100.2 Ų | 100.2 | 63% | 0.628 | 58% | 0.579 | S | S | * | * | trans | -152.9 | 138.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | S251 | S251-A253 PolarHBondContact O-N 2.99Š| ||
| 254 | D | 36.2 | Very low | 42.4 | Very low | 120 Ų | 120 | 96.9 Ų | 96.9 | 64% | 0.642 | 56% | 0.562 | S | S | * | * | trans | 53.3 | 69.4 | 152.5 | -53.5 | -23.7 | 0 | 0 | 0 | 119.3 | S256 | D254-S256 PolarHBondContact O-N 3.24Š| ||
| 255 | T | 41.9 | Very low | 42.8 | Very low | 161 Ų | 161 | 92 Ų | 92 | 99% | 0.988 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 8 | 167.6 | -27.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 256 | S | 43 | Very low | 43.5 | Very low | 81 Ų | 81 | 92.2 Ų | 92.2 | 57% | 0.566 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | -30.5 | -173.2 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | D254 W258 A259 | D254-S256 PolarHBondContact O-N 3.24Å; S256-W258 PolarHBondContact O-N 3Å; S256-A259 PolarHBondContact O-N 3.35Å |
| 257 | S | 41.2 | Very low | 43.8 | Very low | 86 Ų | 86 | 88.7 Ų | 88.7 | 60% | 0.601 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -69 | -25 | -163.1 | 61.5 | 0 | 0 | 0 | 0 | 115.7 | A259 | S257-A259 VanDerWaalsContact C-N 3.32Å; S257-A259 PolarHBondContact O-N 3.44Å |
| 258 | W | 45.1 | Very low | 44.3 | Very low | 106 Ų | 106 | 82.2 Ų | 82.2 | 40% | 0.402 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -75.8 | -16.7 | -178.1 | -163.2 | 66.5 | 0 | 0 | 0 | 114 | S256 D260 V264 L297 | S256-W258 PolarHBondContact O-N 3Å; W258-D260 VanDerWaalsContact C-N 3.32Å; W258-V264 HydrophobicContact CD2-CG2 4.24Å; W258-V264 HydrophobicContact CH2-CG1 4.16Å; W258-V264 HydrophobicContact CH2-CG2 4.15Å; W258-V264 HydrophobicContact CZ2-CG1 4.47Å; W258-V264 HydrophobicContact CZ2-CG2 3.64Å; W258-V264 HydrophobicContact CZ3-CG1 4.31Å; W258-L297 HydrophobicContact CZ3-CB 4.49Å |
| 259 | A | 43.1 | Very low | 44.9 | Very low | 31 Ų | 31 | 80.8 Ų | 80.8 | 26% | 0.256 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -75.9 | -19.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S256 S257 A276 | S256-A259 PolarHBondContact O-N 3.35Å; S257-A259 VanDerWaalsContact C-N 3.32Å; S257-A259 PolarHBondContact O-N 3.44Å; A259-A276 HydrophobicContact CB-CB 4.39Å |
| 260 | D | 44.8 | Very low | 45.7 | Very low | 104 Ų | 104 | 75.6 Ų | 75.6 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -91.5 | -12.5 | -177.8 | -86.4 | -47.7 | 0 | 0 | 0 | 114.7 | W258 P262 R265 | W258-D260 VanDerWaalsContact C-N 3.32Å; D260-P262 WeakPolarHBondContact O-CD 3.32Å; D260-P262 VanDerWaalsContact O-N 3.15Å; D260-R265 PolarHBondContact O-NH1 3Å; D260-R265 IonicContact OD1-CZ 3.89Å; D260-R265 IonicContact OD1-NH1 3.5Å; D260-R265 PolarHBondContact OD1-NH1 2.94Å; D260-R265 IonicContact OD1-NH2 3.77Å |
| 261 | D | 51.2 | Low | 46.3 | Very low | 39 Ų | 39 | 83.9 Ų | 83.9 | 21% | 0.209 | 49% | 0.491 | C | S | . | . | trans | -60.6 | 118.3 | -178.7 | -168 | -40.5 | 0 | 0 | 0 | 110.5 | S263 V264 R265 | D261-S263 PolarHBondContact O-N 2.95Å; D261-S263 VanDerWaalsContact O-N 3.07Å; D261-S263 WeakPolarHBondContact OD1-CA 3.42Å; D261-S263 WeakPolarHBondContact OD1-CB 3.44Å; D261-S263 PolarHBondContact OD1-N 3.36Å; D261-S263 PolarHBondContact OD1-OG 2.93Å; D261-V264 HydrophobicContact CB-CG2 4.12Å; D261-V264 PolarHBondContact O-N 3.48Å; D261-R265 PolarHBondContact O-N 3.23Å | ||
| 262 | P | 53.7 | Low | 47.1 | Very low | 97 Ų | 97 | 80.4 Ų | 80.4 | 63% | 0.63 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.9 | -16.9 | -179 | 26.9 | -35.2 | 0 | 0 | 0 | 113 | D260 A266 | D260-P262 WeakPolarHBondContact O-CD 3.32Å; D260-P262 VanDerWaalsContact O-N 3.15Å; P262-A266 VanDerWaalsContact O-CB 3.3Å; P262-A266 WeakPolarHBondContact O-CB 3.35Å; P262-A266 PolarHBondContact O-N 3.41Å |
| 263 | S | 53.1 | Low | 48.1 | Very low | 44 Ų | 44 | 76.6 Ų | 76.6 | 31% | 0.308 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.6 | -44.7 | 175.8 | -40 | 0 | 0 | 0 | 0 | 111.9 | D261 R265 A266 V267 | D261-S263 PolarHBondContact O-N 2.95Å; D261-S263 VanDerWaalsContact O-N 3.07Å; D261-S263 WeakPolarHBondContact OD1-CA 3.42Å; D261-S263 WeakPolarHBondContact OD1-CB 3.44Å; D261-S263 PolarHBondContact OD1-N 3.36Å; D261-S263 PolarHBondContact OD1-OG 2.93Å; S263-R265 VanDerWaalsContact C-N 3.33Å; S263-A266 PolarHBondContact O-N 3.44Å; S263-V267 WeakPolarHBondContact O-CG2 3.47Å; S263-V267 PolarHBondContact O-N 2.87Å |
| 264 | V | 53.8 | Low | 49 | Very low | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.018 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | W258 D261 A266 V267 L268 H323 | W258-V264 HydrophobicContact CD2-CG2 4.24Å; W258-V264 HydrophobicContact CH2-CG1 4.16Å; W258-V264 HydrophobicContact CH2-CG2 4.15Å; W258-V264 HydrophobicContact CZ2-CG1 4.47Å; W258-V264 HydrophobicContact CZ2-CG2 3.64Å; W258-V264 HydrophobicContact CZ3-CG1 4.31Å; D261-V264 HydrophobicContact CB-CG2 4.12Å; D261-V264 PolarHBondContact O-N 3.48Å; V264-A266 VanDerWaalsContact C-N 3.34Å; V264-A266 PolarHBondContact O-N 2.97Å; V264-V267 PolarHBondContact O-N 2.95Å; V264-L268 HydrophobicContact CG1-CD1 3.92Å; V264-L268 WeakPolarHBondContact O-CG 3.38Å; V264-L268 PolarHBondContact O-N 2.92Å; V264-H323 VanDerWaalsContact CG2-NE2 3.29Å; V264-H323 WeakPolarHBondContact CG2-NE2 3.49Å |
| 265 | R | 51.6 | Low | 50 | Low | 59 Ų | 59 | 70.9 Ų | 70.9 | 22% | 0.223 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -55.3 | -44.7 | 172.3 | -77.1 | 173.2 | 155.6 | 154.6 | -0.2 | 112.7 | D260 D261 S263 G269 I270 G272 V275 | D260-R265 PolarHBondContact O-NH1 3Å; D260-R265 IonicContact OD1-CZ 3.89Å; D260-R265 IonicContact OD1-NH1 3.5Å; D260-R265 PolarHBondContact OD1-NH1 2.94Å; D260-R265 IonicContact OD1-NH2 3.77Å; D261-R265 PolarHBondContact O-N 3.23Å; S263-R265 VanDerWaalsContact C-N 3.33Å; R265-G269 CarbonylContact O-C 3.48Å; R265-G269 WeakPolarHBondContact O-CA 3.46Å; R265-G269 PolarHBondContact O-N 3.37Å; R265-I270 VanDerWaalsContact CB-O 3.31Å; R265-I270 WeakPolarHBondContact CB-O 3.24Å; R265-I270 WeakPolarHBondContact CG-O 3.48Å; R265-I270 PolarHBondContact O-N 3.42Å; R265-I270 VanDerWaalsContact O-N 3.15Å; R265-G272 PolarHBondContact NE-O 3.29Å; R265-G272 PolarHBondContact NH2-O 3.3Å; R265-V275 HydrophobicContact CG-CG2 3.67Å |
| 266 | A | 56.2 | Low | 50.8 | Low | 80 Ų | 80 | 64.8 Ų | 64.8 | 66% | 0.661 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.2 | -35.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P262 S263 V264 | P262-A266 VanDerWaalsContact O-CB 3.3Å; P262-A266 WeakPolarHBondContact O-CB 3.35Å; P262-A266 PolarHBondContact O-N 3.41Å; S263-A266 PolarHBondContact O-N 3.44Å; V264-A266 VanDerWaalsContact C-N 3.34Å; V264-A266 PolarHBondContact O-N 2.97Å |
| 267 | V | 51.3 | Low | 51.4 | Low | 38 Ų | 38 | 65.1 Ų | 65.1 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.8 | -34 | 178.2 | 165.4 | 0 | 0 | 0 | 0 | 112.6 | S263 V264 A319 L320 | S263-V267 WeakPolarHBondContact O-CG2 3.47Å; S263-V267 PolarHBondContact O-N 2.87Å; V264-V267 PolarHBondContact O-N 2.95Å; V267-A319 HydrophobicContact CG1-CB 3.58Å; V267-A319 HydrophobicContact CG2-CB 4.26Å; V267-L320 HydrophobicContact CG1-CG 4.38Å |
| 268 | L | 50.9 | Low | 52.4 | Low | 32 Ų | 32 | 63.2 Ų | 63.2 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -90.6 | -11 | 177 | -63.6 | 176.2 | 0 | 0 | 0 | 113.6 | V264 I270 V275 L297 L320 | V264-L268 HydrophobicContact CG1-CD1 3.92Å; V264-L268 WeakPolarHBondContact O-CG 3.38Å; V264-L268 PolarHBondContact O-N 2.92Å; L268-I270 HydrophobicContact CB-CD1 3.98Å; L268-I270 HydrophobicContact CB-CG1 4.08Å; L268-I270 HydrophobicContact CD1-CD1 4.41Å; L268-I270 PolarHBondContact O-N 2.98Å; L268-V275 HydrophobicContact CD1-CG1 4.47Å; L268-L297 HydrophobicContact CD1-CD2 3.85Å; L268-L297 HydrophobicContact CD2-CD2 4.05Å; L268-L320 HydrophobicContact CD2-CD1 4.39Å; L268-L320 HydrophobicContact CD2-CD2 4.28Å |
| 269 | G | 51.4 | Low | 53.4 | Low | 47 Ų | 47 | 59 Ų | 59 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 1.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | R265 | R265-G269 CarbonylContact O-C 3.48Å; R265-G269 WeakPolarHBondContact O-CA 3.46Å; R265-G269 PolarHBondContact O-N 3.37Å |
| 270 | I | 54.2 | Low | 54.6 | Low | 37 Ų | 37 | 63.8 Ų | 63.8 | 19% | 0.19 | 37% | 0.371 | C | S | . | . | trans | -90.4 | 120.3 | -173.1 | -56 | 168.5 | 0 | 0 | 0 | 110.1 | R265 L268 V275 V278 | R265-I270 VanDerWaalsContact CB-O 3.31Å; R265-I270 WeakPolarHBondContact CB-O 3.24Å; R265-I270 WeakPolarHBondContact CG-O 3.48Å; R265-I270 PolarHBondContact O-N 3.42Å; R265-I270 VanDerWaalsContact O-N 3.15Å; L268-I270 HydrophobicContact CB-CD1 3.98Å; L268-I270 HydrophobicContact CB-CG1 4.08Å; L268-I270 HydrophobicContact CD1-CD1 4.41Å; L268-I270 PolarHBondContact O-N 2.98Å; I270-V275 HydrophobicContact CB-CG2 4.06Å; I270-V275 HydrophobicContact CG2-CB 4.49Å; I270-V275 HydrophobicContact CG2-CG2 3.65Å; I270-V278 HydrophobicContact CD1-CB 3.9Å; I270-V278 HydrophobicContact CD1-CG1 3.69Å; I270-V278 HydrophobicContact CD1-CG2 4.2Å | ||
| 271 | R | 44.1 | Very low | 56 | Low | 245 Ų | 245 | 64.2 Ų | 64.2 | 93% | 0.925 | 37% | 0.372 | S | S | * | . | trans | -110.4 | 114.8 | 166 | -79.9 | -173 | 164.3 | -160.6 | -4.7 | 110.4 | ||||
| 272 | G | 52.9 | Low | 57 | Low | 28 Ų | 28 | 63.1 Ų | 63.1 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 154.3 | -178.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | R265 V275 | R265-G272 PolarHBondContact NE-O 3.29Å; R265-G272 PolarHBondContact NH2-O 3.3Å; G272-V275 WeakPolarHBondContact O-CG2 3.48Å |
| 273 | S | 53.2 | Low | 57.9 | Low | 95 Ų | 95 | 60 Ų | 60 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -28.7 | 165.9 | 43.1 | 0 | 0 | 0 | 0 | 112.2 | V275 A276 | S273-V275 PolarHBondContact O-N 3.25Å; S273-A276 PolarHBondContact O-N 3.04Å |
| 274 | V | 57 | Low | 58.8 | Low | 70 Ų | 70 | 63.8 Ų | 63.8 | 42% | 0.424 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -5.3 | -176.6 | -143.6 | 0 | 0 | 0 | 0 | 115.3 | A276 D277 V278 | V274-A276 VanDerWaalsContact C-N 3.29Å; V274-A276 PolarHBondContact O-N 2.89Å; V274-D277 WeakPolarHBondContact CA-OD2 3.28Å; V274-D277 HydrophobicContact CG1-CB 4.09Å; V274-D277 PolarHBondContact O-N 3.26Å; V274-V278 HydrophobicContact CG1-CG2 4.26Å; V274-V278 WeakPolarHBondContact O-CB 3.14Å; V274-V278 WeakPolarHBondContact O-CG2 3.47Å; V274-V278 PolarHBondContact O-N 3.06Å |
| 275 | V | 56.5 | Low | 59.6 | Low | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -42 | 172.5 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | R265 L268 I270 G272 S273 A279 | R265-V275 HydrophobicContact CG-CG2 3.67Å; L268-V275 HydrophobicContact CD1-CG1 4.47Å; I270-V275 HydrophobicContact CB-CG2 4.06Å; I270-V275 HydrophobicContact CG2-CB 4.49Å; I270-V275 HydrophobicContact CG2-CG2 3.65Å; G272-V275 WeakPolarHBondContact O-CG2 3.48Å; S273-V275 PolarHBondContact O-N 3.25Å; V275-A279 VanDerWaalsContact O-CB 3.22Å; V275-A279 WeakPolarHBondContact O-CB 3.32Å; V275-A279 PolarHBondContact O-N 3.08Å |
| 276 | A | 58.2 | Low | 60.4 | Low | 34 Ų | 34 | 63 Ų | 63 | 28% | 0.281 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A259 S273 V274 V278 A279 H280 | A259-A276 HydrophobicContact CB-CB 4.39Å; S273-A276 PolarHBondContact O-N 3.04Å; V274-A276 VanDerWaalsContact C-N 3.29Å; V274-A276 PolarHBondContact O-N 2.89Å; A276-V278 PolarHBondContact O-N 2.98Å; A276-A279 PolarHBondContact O-N 3.04Å; A276-H280 PolarHBondContact O-CD2 3.48Å; A276-H280 PolarHBondContact O-N 3.4Å |
| 277 | D | 54.9 | Low | 61.1 | Low | 87 Ų | 87 | 62.4 Ų | 62.4 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | -179.4 | -52.3 | -46.8 | 0 | 0 | 0 | 111.9 | V274 H280 I281 | V274-D277 WeakPolarHBondContact CA-OD2 3.28Å; V274-D277 HydrophobicContact CG1-CB 4.09Å; V274-D277 PolarHBondContact O-N 3.26Å; D277-H280 PolarHBondContact O-N 3.05Å; D277-I281 WeakPolarHBondContact O-CB 3.45Å; D277-I281 WeakPolarHBondContact O-CD1 3.39Å; D277-I281 VanDerWaalsContact O-CG1 3.24Å; D277-I281 WeakPolarHBondContact O-CG1 3.31Å; D277-I281 PolarHBondContact O-N 2.99Å |
| 278 | V | 63.5 | Low | 62 | Low | 46 Ų | 46 | 67.9 Ų | 67.9 | 28% | 0.279 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.9 | -37.4 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | I270 V274 A276 I281 L282 | I270-V278 HydrophobicContact CD1-CB 3.9Å; I270-V278 HydrophobicContact CD1-CG1 3.69Å; I270-V278 HydrophobicContact CD1-CG2 4.2Å; V274-V278 HydrophobicContact CG1-CG2 4.26Å; V274-V278 WeakPolarHBondContact O-CB 3.14Å; V274-V278 WeakPolarHBondContact O-CG2 3.47Å; V274-V278 PolarHBondContact O-N 3.06Å; A276-V278 PolarHBondContact O-N 2.98Å; V278-I281 PolarHBondContact O-N 3.2Å; V278-L282 HydrophobicContact CG1-CD1 3.91Å; V278-L282 HydrophobicContact CG1-CG 4.33Å; V278-L282 WeakPolarHBondContact O-CB 3.41Å; V278-L282 VanDerWaalsContact O-CG 3.27Å; V278-L282 WeakPolarHBondContact O-CG 3.22Å; V278-L282 PolarHBondContact O-N 3.25Å |
| 279 | A | 65 | Low | 62.6 | Low | 19 Ų | 19 | 68.2 Ų | 68.2 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V275 A276 L282 L283 | V275-A279 VanDerWaalsContact O-CB 3.22Å; V275-A279 WeakPolarHBondContact O-CB 3.32Å; V275-A279 PolarHBondContact O-N 3.08Å; A276-A279 PolarHBondContact O-N 3.04Å; A279-L282 PolarHBondContact O-N 2.85Å; A279-L283 WeakPolarHBondContact O-CB 3.36Å; A279-L283 WeakPolarHBondContact O-CD1 3.47Å; A279-L283 WeakPolarHBondContact O-CG 3.5Å; A279-L283 PolarHBondContact O-N 3.37Å |
| 280 | H | 68.6 | Low | 63.4 | Low | 130 Ų | 130 | 67.4 Ų | 67.4 | 60% | 0.602 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 173.5 | -81.6 | -67.7 | 0 | 0 | 0 | 111.8 | A276 D277 L282 L283 E284 | A276-H280 PolarHBondContact O-CD2 3.48Å; A276-H280 PolarHBondContact O-N 3.4Å; D277-H280 PolarHBondContact O-N 3.05Å; H280-L282 PolarHBondContact O-N 3.46Å; H280-L283 PolarHBondContact O-N 3.28Å; H280-E284 VanDerWaalsContact O-CB 3.28Å; H280-E284 WeakPolarHBondContact O-CB 3.21Å; H280-E284 PolarHBondContact O-N 2.89Å |
| 281 | I | 74.2 | Confident | 63.9 | Low | 113 Ų | 113 | 68.7 Ų | 68.7 | 58% | 0.579 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.6 | -46.1 | 176 | -69.4 | 162.1 | 0 | 0 | 0 | 110.8 | D277 V278 L283 Y285 | D277-I281 WeakPolarHBondContact O-CB 3.45Å; D277-I281 WeakPolarHBondContact O-CD1 3.39Å; D277-I281 VanDerWaalsContact O-CG1 3.24Å; D277-I281 WeakPolarHBondContact O-CG1 3.31Å; D277-I281 PolarHBondContact O-N 2.99Å; V278-I281 PolarHBondContact O-N 3.2Å; I281-L283 VanDerWaalsContact C-N 3.31Å; I281-L283 PolarHBondContact O-N 2.84Å; I281-Y285 WeakPolarHBondContact O-CB 3.46Å; I281-Y285 PolarHBondContact O-N 3.32Å |
| 282 | L | 71.8 | Confident | 65.1 | Low | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -32.2 | 177.8 | -73.2 | 169.6 | 0 | 0 | 0 | 112.9 | L51 L55 V278 A279 H280 G286 L297 L300 | L51-L282 HydrophobicContact CD2-CD2 4.08Å; L55-L282 HydrophobicContact CD2-CD1 4.12Å; L55-L282 HydrophobicContact CD2-CD2 4.22Å; L55-L282 HydrophobicContact CG-CD2 4.38Å; V278-L282 HydrophobicContact CG1-CD1 3.91Å; V278-L282 HydrophobicContact CG1-CG 4.33Å; V278-L282 WeakPolarHBondContact O-CB 3.41Å; V278-L282 VanDerWaalsContact O-CG 3.27Å; V278-L282 WeakPolarHBondContact O-CG 3.22Å; V278-L282 PolarHBondContact O-N 3.25Å; A279-L282 PolarHBondContact O-N 2.85Å; H280-L282 PolarHBondContact O-N 3.46Å; L282-G286 PolarHBondContact O-N 3.31Å; L282-L297 HydrophobicContact CB-CD1 4.09Å; L282-L297 HydrophobicContact CD1-CD1 4.08Å; L282-L300 VanDerWaalsContact O-CD2 3.31Å; L282-L300 WeakPolarHBondContact O-CD2 3.33Å |
| 283 | L | 73.4 | Confident | 65.8 | Low | 31 Ų | 31 | 65.6 Ų | 65.6 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -78.7 | -44.7 | 178.3 | -72.6 | 168.4 | 0 | 0 | 0 | 112.7 | A279 H280 I281 Y285 G286 H287 F294 L300 | A279-L283 WeakPolarHBondContact O-CB 3.36Å; A279-L283 WeakPolarHBondContact O-CD1 3.47Å; A279-L283 WeakPolarHBondContact O-CG 3.5Å; A279-L283 PolarHBondContact O-N 3.37Å; H280-L283 PolarHBondContact O-N 3.28Å; I281-L283 VanDerWaalsContact C-N 3.31Å; I281-L283 PolarHBondContact O-N 2.84Å; L283-Y285 VanDerWaalsContact C-N 3.29Å; L283-Y285 PolarHBondContact O-N 3.48Å; L283-G286 PolarHBondContact O-N 3.2Å; L283-H287 WeakPolarHBondContact O-CB 3.47Å; L283-H287 PolarHBondContact O-N 3.32Å; L283-F294 HydrophobicContact CD2-CB 3.62Å; L283-L300 HydrophobicContact CD2-CB 4.23Å |
| 284 | E | 72.7 | Confident | 66.8 | Low | 125 Ų | 125 | 61.4 Ų | 61.4 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.1 | -43.2 | 174.2 | -173.3 | 62.9 | -164.7 | 0 | 0 | 110.4 | H280 H287 Q288 | H280-E284 VanDerWaalsContact O-CB 3.28Å; H280-E284 WeakPolarHBondContact O-CB 3.21Å; H280-E284 PolarHBondContact O-N 2.89Å; E284-H287 WeakPolarHBondContact O-CB 3.4Å; E284-H287 PolarHBondContact O-N 3.34Å; E284-Q288 PolarHBondContact O-N 3.16Å |
| 285 | Y | 69.5 | Low | 67.4 | Low | 45 Ų | 45 | 66.9 Ų | 66.9 | 18% | 0.176 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.9 | -36.8 | 176.8 | -164.1 | -96.7 | 0 | 0 | 0 | 112.6 | D47 K50 L51 I281 L283 H287 Q288 V289 | D47-Y285 WeakPolarHBondContact CA-OH 3.37Å; D47-Y285 HydrophobicContact CB-CE1 4.2Å; D47-Y285 WeakPolarHBondContact CB-OH 3.47Å; D47-Y285 VanDerWaalsContact CG-OH 3.29Å; D47-Y285 WeakPolarHBondContact O-CE1 3.12Å; D47-Y285 PolarHBondContact O-OH 3.11Å; D47-Y285 PolarHBondContact OD1-OH 3.18Å; K50-Y285 HydrophobicContact CB-CE1 4.42Å; K50-Y285 VanDerWaalsContact CB-OH 3.31Å; K50-Y285 WeakPolarHBondContact CB-OH 3.45Å; K50-Y285 WeakPolarHBondContact CD-OH 3.35Å; L51-Y285 HydrophobicContact CB-CD1 4.38Å; L51-Y285 HydrophobicContact CB-CE1 4.09Å; L51-Y285 HydrophobicContact CD1-CD1 3.81Å; L51-Y285 HydrophobicContact CD1-CE1 4.13Å; L51-Y285 HydrophobicContact CG-CD1 3.71Å; L51-Y285 HydrophobicContact CG-CE1 3.93Å; I281-Y285 WeakPolarHBondContact O-CB 3.46Å; I281-Y285 PolarHBondContact O-N 3.32Å; L283-Y285 VanDerWaalsContact C-N 3.29Å; L283-Y285 PolarHBondContact O-N 3.48Å; Y285-H287 VanDerWaalsContact C-N 3.28Å; Y285-H287 PolarHBondContact O-N 3.39Å; Y285-Q288 PolarHBondContact O-N 3.47Å; Y285-V289 HydrophobicContact CD1-CG2 4.01Å; Y285-V289 HydrophobicContact CE1-CG2 3.77Å; Y285-V289 WeakPolarHBondContact O-CB 3.17Å; Y285-V289 VanDerWaalsContact O-CG2 3.32Å; Y285-V289 WeakPolarHBondContact O-CG2 3.42Å; Y285-V289 PolarHBondContact O-N 2.94Å |
| 286 | G | 69.7 | Low | 68.3 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.4 | -39 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L282 L283 V289 F290 | L282-G286 PolarHBondContact O-N 3.31Å; L283-G286 PolarHBondContact O-N 3.2Å; G286-V289 PolarHBondContact O-N 2.7Å; G286-F290 WeakPolarHBondContact O-CB 3.4Å; G286-F290 VanDerWaalsContact O-CD2 3.27Å; G286-F290 WeakPolarHBondContact O-CD2 3.41Å; G286-F290 PolarHBondContact O-N 2.83Å |
| 287 | H | 70.5 | Confident | 68.9 | Low | 67 Ų | 67 | 67 Ų | 67 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 174.4 | 179.7 | -150.2 | 0 | 0 | 0 | 111.7 | L283 E284 Y285 V289 G291 I292 | L283-H287 WeakPolarHBondContact O-CB 3.47Å; L283-H287 PolarHBondContact O-N 3.32Å; E284-H287 WeakPolarHBondContact O-CB 3.4Å; E284-H287 PolarHBondContact O-N 3.34Å; Y285-H287 VanDerWaalsContact C-N 3.28Å; Y285-H287 PolarHBondContact O-N 3.39Å; H287-V289 PolarHBondContact O-N 3.09Å; H287-G291 VanDerWaalsContact O-CA 3.28Å; H287-G291 WeakPolarHBondContact O-CA 3.07Å; H287-G291 PolarHBondContact O-N 2.96Å; H287-I292 WeakPolarHBondContact CA-O 3.5Å |
| 288 | Q | 69.5 | Low | 69.8 | Low | 153 Ų | 153 | 64.6 Ų | 64.6 | 72% | 0.715 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.5 | -37.3 | 175.1 | -167.5 | 172.9 | 31.9 | 0 | 0 | 113.2 | E284 Y285 | E284-Q288 PolarHBondContact O-N 3.16Å; Y285-Q288 PolarHBondContact O-N 3.47Å |
| 289 | V | 63.6 | Low | 70.3 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -82.2 | -40.1 | -177.9 | 173.2 | 0 | 0 | 0 | 0 | 113.4 | D47 V48 L51 Y285 G286 H287 | D47-V289 HydrophobicContact CB-CG2 3.53Å; V48-V289 HydrophobicContact CG2-CG1 3.91Å; L51-V289 HydrophobicContact CD1-CG2 4.47Å; Y285-V289 HydrophobicContact CD1-CG2 4.01Å; Y285-V289 HydrophobicContact CE1-CG2 3.77Å; Y285-V289 WeakPolarHBondContact O-CB 3.17Å; Y285-V289 VanDerWaalsContact O-CG2 3.32Å; Y285-V289 WeakPolarHBondContact O-CG2 3.42Å; Y285-V289 PolarHBondContact O-N 2.94Å; G286-V289 PolarHBondContact O-N 2.7Å; H287-V289 PolarHBondContact O-N 3.09Å |
| 290 | F | 69.1 | Low | 70.8 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 13% | 0.132 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -103.6 | -7.4 | -173.8 | -58.7 | -61.6 | 0 | 0 | 0 | 114.1 | L51 G286 I292 F294 L300 H303 L304 Y309 | L51-F290 HydrophobicContact CD1-CE2 4.26Å; G286-F290 WeakPolarHBondContact O-CB 3.4Å; G286-F290 VanDerWaalsContact O-CD2 3.27Å; G286-F290 WeakPolarHBondContact O-CD2 3.41Å; G286-F290 PolarHBondContact O-N 2.83Å; F290-I292 WeakPolarHBondContact O-CG1 3.44Å; F290-I292 PolarHBondContact O-N 3.38Å; F290-F294 HydrophobicContact CB-CE2 4.13Å; F290-F294 HydrophobicContact CB-CZ 4.1Å; F290-F294 AromaticContact CD2-CE2 3.87Å; F290-F294 HydrophobicContact CD2-CE2 3.87Å; F290-F294 HydrophobicContact CD2-CZ 4.06Å; F290-F294 HydrophobicContact CG-CE2 4.43Å; F290-F294 HydrophobicContact CG-CZ 4.38Å; F290-L300 HydrophobicContact CD2-CD1 4.11Å; F290-L300 HydrophobicContact CE2-CD1 3.98Å; F290-H303 AromaticContact CD1-NE2 3.93Å; F290-H303 AromaticContact CG-NE2 3.86Å; F290-L304 HydrophobicContact CE2-CD2 3.81Å; F290-L304 HydrophobicContact CZ-CD2 3.58Å; F290-Y309 AromaticContact CD1-CE2 3.94Å; F290-Y309 HydrophobicContact CD1-CE2 3.94Å; F290-Y309 HydrophobicContact CE1-CD1 4.37Å; F290-Y309 AromaticContact CE1-CD2 3.74Å; F290-Y309 HydrophobicContact CE1-CD2 3.74Å; F290-Y309 HydrophobicContact CE1-CE1 4.07Å; F290-Y309 AromaticContact CE1-CE2 3.37Å; F290-Y309 HydrophobicContact CE1-CE2 3.37Å; F290-Y309 HydrophobicContact CE1-CG 4.23Å; F290-Y309 AromaticContact CE1-CZ 3.57Å; F290-Y309 HydrophobicContact CZ-CD2 4.04Å; F290-Y309 HydrophobicContact CZ-CE2 4.14Å; F290-Y309 HydrophobicContact CZ-CG 4.38Å |
| 291 | G | 64.9 | Low | 70.9 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 66% | 0.66 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 65.2 | 17.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H287 | H287-G291 VanDerWaalsContact O-CA 3.28Å; H287-G291 WeakPolarHBondContact O-CA 3.07Å; H287-G291 PolarHBondContact O-N 2.96Å |
| 292 | I | 69.1 | Low | 70.7 | Confident | 78 Ų | 78 | 58.2 Ų | 58.2 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | trans | -128 | 123.7 | -172.6 | -68 | 163.4 | 0 | 0 | 0 | 108.6 | H287 F290 F294 H303 | H287-I292 WeakPolarHBondContact CA-O 3.5Å; F290-I292 WeakPolarHBondContact O-CG1 3.44Å; F290-I292 PolarHBondContact O-N 3.38Å; I292-F294 HydrophobicContact CB-CE1 4.37Å; I292-F294 HydrophobicContact CB-CE2 4.21Å; I292-F294 HydrophobicContact CB-CZ 3.87Å; I292-F294 HydrophobicContact CG2-CD1 4.27Å; I292-F294 HydrophobicContact CG2-CE1 3.74Å; I292-F294 HydrophobicContact CG2-CE2 4.3Å; I292-F294 HydrophobicContact CG2-CZ 3.76Å; I292-F294 WeakPolarHBondContact O-CD2 3.44Å; I292-F294 WeakPolarHBondContact O-CE2 3.39Å; I292-F294 PolarHBondContact O-N 3.06Å; I292-H303 VanDerWaalsContact CD1-CE1 3.47Å; I292-H303 WeakPolarHBondContact CD1-CE1 3.46Å | ||
| 293 | H | 67.6 | Low | 70.5 | Confident | 131 Ų | 131 | 59 Ų | 59 | 61% | 0.606 | 30% | 0.297 | S | S | * | . | trans | -79 | 111.2 | 177.1 | -173.6 | -64.4 | 0 | 0 | 0 | 110.9 | ||||
| 294 | F | 73.5 | Confident | 70.4 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | trans | -85.3 | 133.4 | 178.6 | -59.9 | -75.7 | 0 | 0 | 0 | 111.3 | L283 F290 I292 S296 Q299 L300 H303 | L283-F294 HydrophobicContact CD2-CB 3.62Å; F290-F294 HydrophobicContact CB-CE2 4.13Å; F290-F294 HydrophobicContact CB-CZ 4.1Å; F290-F294 AromaticContact CD2-CE2 3.87Å; F290-F294 HydrophobicContact CD2-CE2 3.87Å; F290-F294 HydrophobicContact CD2-CZ 4.06Å; F290-F294 HydrophobicContact CG-CE2 4.43Å; F290-F294 HydrophobicContact CG-CZ 4.38Å; I292-F294 HydrophobicContact CB-CE1 4.37Å; I292-F294 HydrophobicContact CB-CE2 4.21Å; I292-F294 HydrophobicContact CB-CZ 3.87Å; I292-F294 HydrophobicContact CG2-CD1 4.27Å; I292-F294 HydrophobicContact CG2-CE1 3.74Å; I292-F294 HydrophobicContact CG2-CE2 4.3Å; I292-F294 HydrophobicContact CG2-CZ 3.76Å; I292-F294 WeakPolarHBondContact O-CD2 3.44Å; I292-F294 WeakPolarHBondContact O-CE2 3.39Å; I292-F294 PolarHBondContact O-N 3.06Å; F294-S296 VanDerWaalsContact C-N 3.35Å; F294-Q299 HydrophobicContact CD1-CG 4.41Å; F294-L300 HydrophobicContact CB-CB 4.26Å; F294-L300 HydrophobicContact CD1-CB 4.41Å; F294-L300 HydrophobicContact CD2-CB 4.34Å; F294-L300 HydrophobicContact CD2-CD1 3.76Å; F294-L300 HydrophobicContact CE2-CD1 3.69Å; F294-L300 HydrophobicContact CG-CB 4.06Å; F294-L300 HydrophobicContact CG-CD1 4.25Å; F294-L300 HydrophobicContact CZ-CD1 4.13Å; F294-H303 HydrophobicContact CD1-CB 4.32Å; F294-H303 HydrophobicContact CE1-CB 3.45Å; F294-H303 VanDerWaalsContact CE1-CB 3.45Å; F294-H303 AromaticContact CE1-CG 3.46Å; F294-H303 VanDerWaalsContact CE1-CG 3.46Å; F294-H303 AromaticContact CE1-ND1 3.64Å; F294-H303 HydrophobicContact CZ-CB 3.96Å; F294-H303 AromaticContact CZ-CD2 3.72Å; F294-H303 AromaticContact CZ-CG 3.6Å; F294-H303 AromaticContact CZ-ND1 3.85Å | ||
| 295 | K | 70.7 | Confident | 70.3 | Confident | 184 Ų | 184 | 53.8 Ų | 53.8 | 80% | 0.8 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -82.4 | -11 | -179.4 | -63.6 | -171.4 | 176.2 | -172 | 0 | 114.3 | ||
| 296 | S | 74.2 | Confident | 70.3 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -161.5 | 152.1 | -178.4 | 172.1 | 0 | 0 | 0 | 0 | 110 | F294 F298 Q299 L300 | F294-S296 VanDerWaalsContact C-N 3.35Å; S296-F298 PolarHBondContact O-N 3.43Å; S296-F298 PolarHBondContact OG-N 3.44Å; S296-Q299 WeakPolarHBondContact O-CA 3.43Å; S296-Q299 WeakPolarHBondContact O-CB 3.27Å; S296-Q299 PolarHBondContact O-N 2.83Å; S296-L300 PolarHBondContact O-N 3.26Å; S296-L300 VanDerWaalsContact O-N 3.09Å |
| 297 | L | 72.1 | Confident | 70.1 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.7 | -28 | 172.9 | -173 | 61.2 | 0 | 0 | 0 | 112 | W258 L268 L282 L300 A301 L320 | W258-L297 HydrophobicContact CZ3-CB 4.49Å; L268-L297 HydrophobicContact CD1-CD2 3.85Å; L268-L297 HydrophobicContact CD2-CD2 4.05Å; L282-L297 HydrophobicContact CB-CD1 4.09Å; L282-L297 HydrophobicContact CD1-CD1 4.08Å; L297-L300 HydrophobicContact CD1-CD2 4.14Å; L297-A301 WeakPolarHBondContact O-CB 3.1Å; L297-A301 PolarHBondContact O-N 2.97Å; L297-L320 HydrophobicContact CD2-CD1 4.14Å; L297-L320 HydrophobicContact CD2-CD2 3.89Å; L297-L320 HydrophobicContact CG-CD1 3.92Å; L297-L320 HydrophobicContact CG-CD2 4.11Å |
| 298 | F | 73.8 | Confident | 69.6 | Low | 36 Ų | 36 | 64 Ų | 64 | 16% | 0.158 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 168.5 | 167.7 | -121.3 | 0 | 0 | 0 | 112.3 | S296 A301 Q302 I321 A324 | S296-F298 PolarHBondContact O-N 3.43Å; S296-F298 PolarHBondContact OG-N 3.44Å; F298-A301 PolarHBondContact O-N 2.89Å; F298-Q302 HydrophobicContact CD2-CG 3.99Å; F298-Q302 HydrophobicContact CE1-CG 4.25Å; F298-Q302 HydrophobicContact CE2-CG 3.55Å; F298-Q302 HydrophobicContact CZ-CG 3.72Å; F298-Q302 WeakPolarHBondContact O-CG 3.15Å; F298-Q302 PolarHBondContact O-N 3.23Å; F298-I321 HydrophobicContact CD2-CG1 4.27Å; F298-I321 HydrophobicContact CE2-CB 4.32Å; F298-I321 HydrophobicContact CE2-CG1 4.14Å; F298-I321 HydrophobicContact CE2-CG2 4.38Å; F298-A324 HydrophobicContact CB-CB 4.15Å; F298-A324 HydrophobicContact CD1-CB 3.78Å; F298-A324 HydrophobicContact CD2-CB 3.31Å; F298-A324 HydrophobicContact CE1-CB 3.91Å; F298-A324 HydrophobicContact CE2-CB 3.47Å; F298-A324 VanDerWaalsContact CE2-CB 3.47Å; F298-A324 HydrophobicContact CG-CB 3.46Å; F298-A324 VanDerWaalsContact CG-CB 3.46Å; F298-A324 HydrophobicContact CZ-CB 3.75Å |
| 299 | Q | 72.8 | Confident | 69.3 | Low | 83 Ų | 83 | 61.8 Ų | 61.8 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71.7 | -32.7 | -179.3 | -159.1 | 174.5 | 17.8 | 0 | 0 | 111.9 | F294 S296 H303 | F294-Q299 HydrophobicContact CD1-CG 4.41Å; S296-Q299 WeakPolarHBondContact O-CA 3.43Å; S296-Q299 WeakPolarHBondContact O-CB 3.27Å; S296-Q299 PolarHBondContact O-N 2.83Å; Q299-H303 WeakPolarHBondContact O-CB 3.34Å; Q299-H303 PolarHBondContact O-N 3.17Å |
| 300 | L | 75.9 | Confident | 69.2 | Low | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 167.1 | 178.7 | 61.1 | 0 | 0 | 0 | 111.1 | L282 L283 F290 F294 S296 L297 Q302 H303 L304 | L282-L300 VanDerWaalsContact O-CD2 3.31Å; L282-L300 WeakPolarHBondContact O-CD2 3.33Å; L283-L300 HydrophobicContact CD2-CB 4.23Å; F290-L300 HydrophobicContact CD2-CD1 4.11Å; F290-L300 HydrophobicContact CE2-CD1 3.98Å; F294-L300 HydrophobicContact CB-CB 4.26Å; F294-L300 HydrophobicContact CD1-CB 4.41Å; F294-L300 HydrophobicContact CD2-CB 4.34Å; F294-L300 HydrophobicContact CD2-CD1 3.76Å; F294-L300 HydrophobicContact CE2-CD1 3.69Å; F294-L300 HydrophobicContact CG-CB 4.06Å; F294-L300 HydrophobicContact CG-CD1 4.25Å; F294-L300 HydrophobicContact CZ-CD1 4.13Å; S296-L300 PolarHBondContact O-N 3.26Å; S296-L300 VanDerWaalsContact O-N 3.09Å; L297-L300 HydrophobicContact CD1-CD2 4.14Å; L300-Q302 PolarHBondContact O-N 3.36Å; L300-H303 PolarHBondContact O-N 3.49Å; L300-L304 HydrophobicContact CD1-CD1 4.26Å; L300-L304 HydrophobicContact CD1-CG 4.25Å; L300-L304 HydrophobicContact CG-CD1 4.02Å; L300-L304 HydrophobicContact CG-CG 4.46Å; L300-L304 WeakPolarHBondContact O-CB 3.42Å; L300-L304 VanDerWaalsContact O-CG 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.46Å; L300-L304 PolarHBondContact O-N 3.19Å |
| 301 | A | 70.2 | Confident | 68.6 | Low | 3 Ų | 3 | 64.6 Ų | 64.6 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L297 F298 L304 V305 L320 I321 | L297-A301 WeakPolarHBondContact O-CB 3.1Å; L297-A301 PolarHBondContact O-N 2.97Å; F298-A301 PolarHBondContact O-N 2.89Å; A301-L304 PolarHBondContact O-N 3.4Å; A301-V305 WeakPolarHBondContact O-CG2 3.41Å; A301-V305 PolarHBondContact O-N 3.31Å; A301-L320 HydrophobicContact CB-CB 3.94Å; A301-L320 HydrophobicContact CB-CD1 4.15Å; A301-I321 HydrophobicContact CB-CD1 4.49Å; A301-I321 HydrophobicContact CB-CG1 4.15Å |
| 302 | Q | 70.6 | Confident | 68.2 | Low | 84 Ų | 84 | 66.1 Ų | 66.1 | 39% | 0.393 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 171.7 | -75.7 | -175.7 | -54.4 | 0 | 0 | 111.5 | F298 L300 V305 A306 I321 | F298-Q302 HydrophobicContact CD2-CG 3.99Å; F298-Q302 HydrophobicContact CE1-CG 4.25Å; F298-Q302 HydrophobicContact CE2-CG 3.55Å; F298-Q302 HydrophobicContact CZ-CG 3.72Å; F298-Q302 WeakPolarHBondContact O-CG 3.15Å; F298-Q302 PolarHBondContact O-N 3.23Å; L300-Q302 PolarHBondContact O-N 3.36Å; Q302-V305 PolarHBondContact O-N 3.25Å; Q302-A306 WeakPolarHBondContact O-CB 3.35Å; Q302-A306 PolarHBondContact O-N 2.94Å; Q302-I321 HydrophobicContact CG-CG1 4.42Å |
| 303 | H | 68.1 | Low | 67.3 | Low | 34 Ų | 34 | 71 Ų | 71 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 178.8 | -172.6 | 95.3 | 0 | 0 | 0 | 111.9 | F290 I292 F294 Q299 L300 V305 A306 N307 | F290-H303 AromaticContact CD1-NE2 3.93Å; F290-H303 AromaticContact CG-NE2 3.86Å; I292-H303 VanDerWaalsContact CD1-CE1 3.47Å; I292-H303 WeakPolarHBondContact CD1-CE1 3.46Å; F294-H303 HydrophobicContact CD1-CB 4.32Å; F294-H303 HydrophobicContact CE1-CB 3.45Å; F294-H303 VanDerWaalsContact CE1-CB 3.45Å; F294-H303 AromaticContact CE1-CG 3.46Å; F294-H303 VanDerWaalsContact CE1-CG 3.46Å; F294-H303 AromaticContact CE1-ND1 3.64Å; F294-H303 HydrophobicContact CZ-CB 3.96Å; F294-H303 AromaticContact CZ-CD2 3.72Å; F294-H303 AromaticContact CZ-CG 3.6Å; F294-H303 AromaticContact CZ-ND1 3.85Å; Q299-H303 WeakPolarHBondContact O-CB 3.34Å; Q299-H303 PolarHBondContact O-N 3.17Å; L300-H303 PolarHBondContact O-N 3.49Å; H303-V305 VanDerWaalsContact C-N 3.33Å; H303-V305 PolarHBondContact O-N 3.22Å; H303-A306 PolarHBondContact O-N 2.83Å; H303-N307 PolarHBondContact CE1-ND2 3.28Å; H303-N307 PolarHBondContact NE2-ND2 2.9Å; H303-N307 WeakPolarHBondContact O-CB 3.46Å; H303-N307 PolarHBondContact O-N 3.4Å |
| 304 | L | 71.5 | Confident | 66.9 | Low | 13 Ų | 13 | 65.9 Ų | 65.9 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.9 | -37.4 | 176.6 | -74.7 | 171.1 | 0 | 0 | 0 | 113.1 | F290 L300 A301 Y309 V310 | F290-L304 HydrophobicContact CE2-CD2 3.81Å; F290-L304 HydrophobicContact CZ-CD2 3.58Å; L300-L304 HydrophobicContact CD1-CD1 4.26Å; L300-L304 HydrophobicContact CD1-CG 4.25Å; L300-L304 HydrophobicContact CG-CD1 4.02Å; L300-L304 HydrophobicContact CG-CG 4.46Å; L300-L304 WeakPolarHBondContact O-CB 3.42Å; L300-L304 VanDerWaalsContact O-CG 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.46Å; L300-L304 PolarHBondContact O-N 3.19Å; A301-L304 PolarHBondContact O-N 3.4Å; L304-Y309 HydrophobicContact CD2-CD2 4.34Å; L304-Y309 HydrophobicContact CD2-CG 4.34Å; L304-Y309 PolarHBondContact O-N 3.26Å; L304-Y309 VanDerWaalsContact O-N 3.1Å; L304-V310 HydrophobicContact CB-CB 4.29Å; L304-V310 HydrophobicContact CB-CG2 3.79Å; L304-V310 HydrophobicContact CD1-CG2 4.42Å; L304-V310 HydrophobicContact CD2-CG2 4.47Å; L304-V310 HydrophobicContact CG-CG2 4.47Å; L304-V310 PolarHBondContact O-N 3.28Å |
| 305 | V | 70.3 | Confident | 66.3 | Low | 33 Ų | 33 | 73.8 Ų | 73.8 | 20% | 0.2 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -80.8 | -41.6 | 177.5 | 170.1 | 0 | 0 | 0 | 0 | 112.1 | A301 Q302 H303 R308 V310 A317 F318 I321 | A301-V305 WeakPolarHBondContact O-CG2 3.41Å; A301-V305 PolarHBondContact O-N 3.31Å; Q302-V305 PolarHBondContact O-N 3.25Å; H303-V305 VanDerWaalsContact C-N 3.33Å; H303-V305 PolarHBondContact O-N 3.22Å; V305-R308 PolarHBondContact O-N 3.44Å; V305-V310 HydrophobicContact CG2-CB 4.17Å; V305-V310 HydrophobicContact CG2-CG1 4.06Å; V305-A317 HydrophobicContact CG2-CB 4.18Å; V305-F318 HydrophobicContact CG1-CE1 4.06Å; V305-F318 HydrophobicContact CG1-CZ 3.75Å; V305-F318 HydrophobicContact CG2-CE1 4.44Å; V305-F318 HydrophobicContact CG2-CE2 3.95Å; V305-F318 HydrophobicContact CG2-CZ 3.92Å; V305-I321 HydrophobicContact CB-CD1 3.92Å; V305-I321 HydrophobicContact CG1-CD1 4.33Å; V305-I321 HydrophobicContact CG2-CD1 3.64Å |
| 306 | A | 69.4 | Low | 65.9 | Low | 73 Ų | 73 | 68.3 Ų | 68.3 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.2 | -46.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q302 H303 R308 | Q302-A306 WeakPolarHBondContact O-CB 3.35Å; Q302-A306 PolarHBondContact O-N 2.94Å; H303-A306 PolarHBondContact O-N 2.83Å; A306-R308 PolarHBondContact O-N 3Å |
| 307 | N | 64.1 | Low | 65.3 | Low | 83 Ų | 83 | 67 Ų | 67 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 17.8 | 179.9 | -67.5 | -21.9 | 0 | 0 | 0 | 113.6 | H303 Y309 | H303-N307 PolarHBondContact CE1-ND2 3.28Å; H303-N307 PolarHBondContact NE2-ND2 2.9Å; H303-N307 WeakPolarHBondContact O-CB 3.46Å; H303-N307 PolarHBondContact O-N 3.4Å; N307-Y309 HydrophobicContact CB-CD2 3.63Å; N307-Y309 HydrophobicContact CB-CE2 3.45Å; N307-Y309 VanDerWaalsContact CB-CE2 3.45Å; N307-Y309 PolarHBondContact O-N 3.35Å |
| 308 | R | 61.3 | Low | 64.8 | Low | 170 Ų | 170 | 70.6 Ų | 70.6 | 64% | 0.642 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 59.6 | 4.4 | 174.5 | -56.7 | -63.6 | -167.4 | -178.7 | 1.4 | 116.9 | T117 V305 A306 V310 | T117-R308 HydrophobicContact CG2-CB 3.93Å; T117-R308 HydrophobicContact CG2-CG 4.01Å; V305-R308 PolarHBondContact O-N 3.44Å; A306-R308 PolarHBondContact O-N 3Å; R308-V310 PolarHBondContact O-N 2.85Å; R308-V310 VanDerWaalsContact O-N 3.14Å |
| 309 | Y | 63.2 | Low | 64.4 | Low | 106 Ų | 106 | 70.4 Ų | 70.4 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -54.9 | -30.3 | 171.5 | -63.3 | -65.8 | 0 | 0 | 0 | 112.2 | F290 L304 N307 | F290-Y309 AromaticContact CD1-CE2 3.94Å; F290-Y309 HydrophobicContact CD1-CE2 3.94Å; F290-Y309 HydrophobicContact CE1-CD1 4.37Å; F290-Y309 AromaticContact CE1-CD2 3.74Å; F290-Y309 HydrophobicContact CE1-CD2 3.74Å; F290-Y309 HydrophobicContact CE1-CE1 4.07Å; F290-Y309 AromaticContact CE1-CE2 3.37Å; F290-Y309 HydrophobicContact CE1-CE2 3.37Å; F290-Y309 HydrophobicContact CE1-CG 4.23Å; F290-Y309 AromaticContact CE1-CZ 3.57Å; F290-Y309 HydrophobicContact CZ-CD2 4.04Å; F290-Y309 HydrophobicContact CZ-CE2 4.14Å; F290-Y309 HydrophobicContact CZ-CG 4.38Å; L304-Y309 HydrophobicContact CD2-CD2 4.34Å; L304-Y309 HydrophobicContact CD2-CG 4.34Å; L304-Y309 PolarHBondContact O-N 3.26Å; L304-Y309 VanDerWaalsContact O-N 3.1Å; N307-Y309 HydrophobicContact CB-CD2 3.63Å; N307-Y309 HydrophobicContact CB-CE2 3.45Å; N307-Y309 VanDerWaalsContact CB-CE2 3.45Å; N307-Y309 PolarHBondContact O-N 3.35Å |
| 310 | V | 61.8 | Low | 64 | Low | 17 Ų | 17 | 67 Ų | 67 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -114 | 122.8 | 177.1 | 170 | 0 | 0 | 0 | 0 | 112 | L304 V305 R308 A317 F318 | L304-V310 HydrophobicContact CB-CB 4.29Å; L304-V310 HydrophobicContact CB-CG2 3.79Å; L304-V310 HydrophobicContact CD1-CG2 4.42Å; L304-V310 HydrophobicContact CD2-CG2 4.47Å; L304-V310 HydrophobicContact CG-CG2 4.47Å; L304-V310 PolarHBondContact O-N 3.28Å; V305-V310 HydrophobicContact CG2-CB 4.17Å; V305-V310 HydrophobicContact CG2-CG1 4.06Å; R308-V310 PolarHBondContact O-N 2.85Å; R308-V310 VanDerWaalsContact O-N 3.14Å; V310-A317 HydrophobicContact CB-CB 4.48Å; V310-A317 HydrophobicContact CG1-CB 3.74Å; V310-A317 HydrophobicContact CG2-CB 4.46Å; V310-F318 HydrophobicContact CG1-CE2 4.27Å |
| 311 | N | 55.2 | Low | 63.5 | Low | 111 Ų | 111 | 68.8 Ų | 68.8 | 59% | 0.594 | 34% | 0.343 | S | S | * | . | trans | -83.8 | 161.4 | 176.1 | -162.4 | -1.3 | 0 | 0 | 0 | 111.7 | R313 S314 | N311-R313 PolarHBondContact O-N 3.48Å; N311-S314 PolarHBondContact O-N 2.97Å; N311-S314 VanDerWaalsContact O-N 3.08Å | ||
| 312 | S | 56.2 | Low | 62.9 | Low | 97 Ų | 97 | 71.1 Ų | 71.1 | 68% | 0.678 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -2.4 | -173.9 | 59.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 313 | R | 49.9 | Very low | 62.2 | Low | 179 Ų | 179 | 68.5 Ų | 68.5 | 68% | 0.675 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -9.6 | 176.7 | -68.1 | -178.9 | 170.3 | 177.1 | -5.4 | 114.2 | L91 N311 K315 | L91-R313 VanDerWaalsContact CD1-NH1 3.33Å; N311-R313 PolarHBondContact O-N 3.48Å; R313-K315 PolarHBondContact O-N 3.12Å; R313-K315 VanDerWaalsContact O-N 3.08Å |
| 314 | S | 60.9 | Low | 61.8 | Low | 24 Ų | 24 | 68 Ų | 68 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | trans | -77.4 | 95.9 | -177.9 | -176.4 | 0 | 0 | 0 | 0 | 112 | N311 H316 A317 F318 | N311-S314 PolarHBondContact O-N 2.97Å; N311-S314 VanDerWaalsContact O-N 3.08Å; S314-H316 VanDerWaalsContact C-N 3.28Å; S314-H316 PolarHBondContact O-N 3.33Å; S314-A317 PolarHBondContact O-N 3.05Å; S314-F318 WeakPolarHBondContact O-CD2 3.24Å; S314-F318 PolarHBondContact O-N 3.21Å | ||
| 315 | K | 59.6 | Low | 61 | Low | 173 Ų | 173 | 69.9 Ų | 69.9 | 75% | 0.752 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -52.5 | -44.7 | 178.7 | -74.1 | -173.5 | 175.4 | -178 | 0 | 112.4 | R313 A319 | R313-K315 PolarHBondContact O-N 3.12Å; R313-K315 VanDerWaalsContact O-N 3.08Å; K315-A319 WeakPolarHBondContact O-CB 3.11Å; K315-A319 PolarHBondContact O-N 3Å |
| 316 | H | 62 | Low | 60 | Low | 70 Ų | 70 | 74.1 Ų | 74.1 | 32% | 0.324 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.9 | -46.5 | -173.9 | -55.7 | 131.5 | 0 | 0 | 0 | 113.1 | L55 S314 A319 L320 | L55-H316 PolarHBondContact O-CE1 3.35Å; L55-H316 PolarHBondContact O-ND1 2.9Å; S314-H316 VanDerWaalsContact C-N 3.28Å; S314-H316 PolarHBondContact O-N 3.33Å; H316-A319 PolarHBondContact O-N 3.31Å; H316-L320 WeakPolarHBondContact O-CB 3.44Å; H316-L320 VanDerWaalsContact O-CG 3.29Å; H316-L320 WeakPolarHBondContact O-CG 3.36Å; H316-L320 PolarHBondContact O-N 3.3Å |
| 317 | A | 62.9 | Low | 58.8 | Low | 8 Ų | 8 | 74.8 Ų | 74.8 | 7% | 0.066 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V305 V310 S314 L320 I321 | V305-A317 HydrophobicContact CG2-CB 4.18Å; V310-A317 HydrophobicContact CB-CB 4.48Å; V310-A317 HydrophobicContact CG1-CB 3.74Å; V310-A317 HydrophobicContact CG2-CB 4.46Å; S314-A317 PolarHBondContact O-N 3.05Å; A317-L320 PolarHBondContact O-N 2.78Å; A317-I321 VanDerWaalsContact O-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CG1 3.38Å; A317-I321 PolarHBondContact O-N 3.04Å |
| 318 | F | 61.8 | Low | 57.9 | Low | 83 Ų | 83 | 74.8 Ų | 74.8 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72 | -28.8 | 178.1 | -77.7 | -83.1 | 0 | 0 | 0 | 112.8 | V305 V310 S314 A322 | V305-F318 HydrophobicContact CG1-CE1 4.06Å; V305-F318 HydrophobicContact CG1-CZ 3.75Å; V305-F318 HydrophobicContact CG2-CE1 4.44Å; V305-F318 HydrophobicContact CG2-CE2 3.95Å; V305-F318 HydrophobicContact CG2-CZ 3.92Å; V310-F318 HydrophobicContact CG1-CE2 4.27Å; S314-F318 WeakPolarHBondContact O-CD2 3.24Å; S314-F318 PolarHBondContact O-N 3.21Å; F318-A322 WeakPolarHBondContact O-CB 3.43Å; F318-A322 PolarHBondContact O-N 3.46Å |
| 319 | A | 64.1 | Low | 56.8 | Low | 32 Ų | 32 | 71.3 Ų | 71.3 | 26% | 0.264 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.9 | -41.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V267 K315 H316 I321 A322 H323 | V267-A319 HydrophobicContact CG1-CB 3.58Å; V267-A319 HydrophobicContact CG2-CB 4.26Å; K315-A319 WeakPolarHBondContact O-CB 3.11Å; K315-A319 PolarHBondContact O-N 3Å; H316-A319 PolarHBondContact O-N 3.31Å; A319-I321 VanDerWaalsContact C-N 3.3Å; A319-I321 PolarHBondContact O-N 2.85Å; A319-A322 PolarHBondContact O-N 3.08Å; A319-H323 VanDerWaalsContact O-CB 3.28Å; A319-H323 WeakPolarHBondContact O-CB 3.35Å; A319-H323 PolarHBondContact O-N 3.45Å |
| 320 | L | 65.2 | Low | 55.4 | Low | 10 Ų | 10 | 71.3 Ų | 71.3 | 5% | 0.052 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 171.3 | -75.3 | 164.4 | 0 | 0 | 0 | 111.5 | V267 L268 L297 A301 H316 A317 A324 | V267-L320 HydrophobicContact CG1-CG 4.38Å; L268-L320 HydrophobicContact CD2-CD1 4.39Å; L268-L320 HydrophobicContact CD2-CD2 4.28Å; L297-L320 HydrophobicContact CD2-CD1 4.14Å; L297-L320 HydrophobicContact CD2-CD2 3.89Å; L297-L320 HydrophobicContact CG-CD1 3.92Å; L297-L320 HydrophobicContact CG-CD2 4.11Å; A301-L320 HydrophobicContact CB-CB 3.94Å; A301-L320 HydrophobicContact CB-CD1 4.15Å; H316-L320 WeakPolarHBondContact O-CB 3.44Å; H316-L320 VanDerWaalsContact O-CG 3.29Å; H316-L320 WeakPolarHBondContact O-CG 3.36Å; H316-L320 PolarHBondContact O-N 3.3Å; A317-L320 PolarHBondContact O-N 2.78Å; L320-A324 PolarHBondContact O-N 2.99Å |
| 321 | I | 64.8 | Low | 53.8 | Low | 42 Ų | 42 | 80.9 Ų | 80.9 | 22% | 0.215 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 175.3 | -69.1 | 166.1 | 0 | 0 | 0 | 111.6 | F298 A301 Q302 V305 A317 A319 H323 A324 A325 | F298-I321 HydrophobicContact CD2-CG1 4.27Å; F298-I321 HydrophobicContact CE2-CB 4.32Å; F298-I321 HydrophobicContact CE2-CG1 4.14Å; F298-I321 HydrophobicContact CE2-CG2 4.38Å; A301-I321 HydrophobicContact CB-CD1 4.49Å; A301-I321 HydrophobicContact CB-CG1 4.15Å; Q302-I321 HydrophobicContact CG-CG1 4.42Å; V305-I321 HydrophobicContact CB-CD1 3.92Å; V305-I321 HydrophobicContact CG1-CD1 4.33Å; V305-I321 HydrophobicContact CG2-CD1 3.64Å; A317-I321 VanDerWaalsContact O-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CG1 3.38Å; A317-I321 PolarHBondContact O-N 3.04Å; A319-I321 VanDerWaalsContact C-N 3.3Å; A319-I321 PolarHBondContact O-N 2.85Å; I321-H323 PolarHBondContact O-N 3.37Å; I321-A324 PolarHBondContact O-N 3.38Å; I321-A325 VanDerWaalsContact O-CB 3.31Å; I321-A325 WeakPolarHBondContact O-CB 3.36Å; I321-A325 PolarHBondContact O-N 3.38Å |
| 322 | A | 57.8 | Low | 52.5 | Low | 51 Ų | 51 | 80 Ų | 80 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.3 | -35 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | F318 A319 A325 N326 | F318-A322 WeakPolarHBondContact O-CB 3.43Å; F318-A322 PolarHBondContact O-N 3.46Å; A319-A322 PolarHBondContact O-N 3.08Å; A322-A325 PolarHBondContact O-N 3.45Å; A322-N326 PolarHBondContact O-N 3.02Å |
| 323 | H | 56.4 | Low | 51.4 | Low | 30 Ų | 30 | 79.3 Ų | 79.3 | 14% | 0.139 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -70.7 | -41.1 | 178.2 | -178.5 | 52.4 | 0 | 0 | 0 | 112 | V264 A319 I321 A325 N326 | V264-H323 VanDerWaalsContact CG2-NE2 3.29Å; V264-H323 WeakPolarHBondContact CG2-NE2 3.49Å; A319-H323 VanDerWaalsContact O-CB 3.28Å; A319-H323 WeakPolarHBondContact O-CB 3.35Å; A319-H323 PolarHBondContact O-N 3.45Å; I321-H323 PolarHBondContact O-N 3.37Å; H323-A325 VanDerWaalsContact C-N 3.32Å; H323-A325 PolarHBondContact O-N 3Å; H323-N326 CarbonylContact O-C 3.48Å; H323-N326 PolarHBondContact O-N 3.14Å; H323-N326 VanDerWaalsContact O-O 3.05Å |
| 324 | A | 59 | Low | 50.8 | Low | 22 Ų | 22 | 74.6 Ų | 74.6 | 18% | 0.182 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.2 | -27 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | F298 L320 I321 | F298-A324 HydrophobicContact CB-CB 4.15Å; F298-A324 HydrophobicContact CD1-CB 3.78Å; F298-A324 HydrophobicContact CD2-CB 3.31Å; F298-A324 HydrophobicContact CE1-CB 3.91Å; F298-A324 HydrophobicContact CE2-CB 3.47Å; F298-A324 VanDerWaalsContact CE2-CB 3.47Å; F298-A324 HydrophobicContact CG-CB 3.46Å; F298-A324 VanDerWaalsContact CG-CB 3.46Å; F298-A324 HydrophobicContact CZ-CB 3.75Å; L320-A324 PolarHBondContact O-N 2.99Å; I321-A324 PolarHBondContact O-N 3.38Å |
| 325 | A | 56 | Low | 49.6 | Very low | 53 Ų | 53 | 79.9 Ų | 79.9 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76.5 | -23.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | I321 A322 H323 | I321-A325 VanDerWaalsContact O-CB 3.31Å; I321-A325 WeakPolarHBondContact O-CB 3.36Å; I321-A325 PolarHBondContact O-N 3.38Å; A322-A325 PolarHBondContact O-N 3.45Å; H323-A325 VanDerWaalsContact C-N 3.32Å; H323-A325 PolarHBondContact O-N 3Å |
| 326 | N | 47.4 | Very low | 48.6 | Very low | 122 Ų | 122 | 76.7 Ų | 76.7 | 65% | 0.652 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -127.7 | 80.3 | 173.7 | -72.9 | -70.8 | 0 | 0 | 0 | 110.2 | A322 H323 | A322-N326 PolarHBondContact O-N 3.02Å; H323-N326 CarbonylContact O-C 3.48Å; H323-N326 PolarHBondContact O-N 3.14Å; H323-N326 VanDerWaalsContact O-O 3.05Å |
| 327 | P | 45.3 | Very low | 47.6 | Very low | 88 Ų | 88 | 76.7 Ų | 76.7 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | trans | -55.7 | 132.6 | 164.4 | 25.8 | -34.2 | 0 | 0 | 0 | 108.7 | S329 | P327-S329 PolarHBondContact O-N 2.97Å; P327-S329 VanDerWaalsContact O-N 3.11Å | ||
| 328 | P | 44.2 | Very low | 46.4 | Very low | 82 Ų | 82 | 77.4 Ų | 77.4 | 53% | 0.532 | 48% | 0.483 | S | S | . | . | trans | -60.5 | 119.4 | -176.3 | 23.4 | -32.6 | 0 | 0 | 0 | 109.9 | S330 | P328-S330 PolarHBondContact O-N 2.84Å; P328-S330 VanDerWaalsContact O-N 3.08Å | ||
| 329 | S | 38.7 | Very low | 45.2 | Very low | 98 Ų | 98 | 79.9 Ų | 79.9 | 69% | 0.685 | 50% | 0.5 | S | S | * | . | trans | -63.2 | 114.7 | 178.3 | 55 | 0 | 0 | 0 | 0 | 109.7 | P327 F331 | P327-S329 PolarHBondContact O-N 2.97Å; P327-S329 VanDerWaalsContact O-N 3.11Å; S329-F331 PolarHBondContact O-N 3.12Å | ||
| 330 | S | 34.3 | Very low | 44 | Very low | 105 Ų | 105 | 81.2 Ų | 81.2 | 73% | 0.734 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.3 | 121.2 | 178.8 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | P328 S332 | P328-S330 PolarHBondContact O-N 2.84Å; P328-S330 VanDerWaalsContact O-N 3.08Å; S330-S332 PolarHBondContact O-N 3.1Å |
| 331 | F | 28.6 | Very low | 42.8 | Very low | 219 Ų | 219 | 87.8 Ų | 87.8 | 96% | 0.961 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.3 | 65.8 | 159.8 | -69.6 | -89.5 | 0 | 0 | 0 | 116.4 | S329 | S329-F331 PolarHBondContact O-N 3.12Š|
| 332 | S | 27 | Very low | 41.6 | Very low | 91 Ų | 91 | 93.8 Ų | 93.8 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | trans | -127.5 | 114.5 | 150.6 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | S330 | S330-S332 PolarHBondContact O-N 3.1Š| ||
| 333 | P | 34.5 | Very low | 40.9 | Very low | 83 Ų | 83 | 98.1 Ų | 98.1 | 54% | 0.539 | 59% | 0.586 | S | S | . | * | trans | -67.7 | 158.6 | 171.7 | 28.8 | -35.2 | 0 | 0 | 0 | 110.7 | A338 | P333-A338 HydrophobicContact CB-CB 3.89Å; P333-A338 HydrophobicContact CG-CB 3.46Å; P333-A338 VanDerWaalsContact CG-CB 3.46Å | ||
| 334 | P | 35.7 | Very low | 40.4 | Very low | 81 Ų | 81 | 103.2 Ų | 103.2 | 53% | 0.526 | 61% | 0.609 | S | S | . | * | trans | -55.3 | 137.3 | 173.9 | -22.8 | 32.6 | 0 | 0 | 0 | 110.9 | S336 T337 A338 | P334-S336 PolarHBondContact O-N 2.75Å; P334-T337 PolarHBondContact O-N 3.04Å; P334-A338 PolarHBondContact O-N 3.15Å | ||
| 335 | P | 35.5 | Very low | 39.5 | Very low | 134 Ų | 134 | 111.9 Ų | 111.9 | 87% | 0.87 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 28.4 | -177 | 31.2 | -37 | 0 | 0 | 0 | 113.8 | ||
| 336 | S | 39.2 | Very low | 38.5 | Very low | 106 Ų | 106 | 112.8 Ų | 112.8 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.9 | -12.5 | 178.6 | -51.1 | 0 | 0 | 0 | 0 | 113.7 | P334 | P334-S336 PolarHBondContact O-N 2.75Š|
| 337 | T | 42.1 | Very low | 37.8 | Very low | 70 Ų | 70 | 112.4 Ų | 112.4 | 43% | 0.429 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.7 | -28.9 | 175.6 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | P334 L339 A340 E341 | P334-T337 PolarHBondContact O-N 3.04Å; T337-L339 PolarHBondContact O-N 2.78Å; T337-L339 VanDerWaalsContact O-N 3.15Å; T337-A340 WeakPolarHBondContact O-CB 3.3Å; T337-A340 PolarHBondContact O-N 2.96Å; T337-E341 PolarHBondContact O-N 2.87Å |
| 338 | A | 36.6 | Very low | 37.3 | Very low | 23 Ų | 23 | 113.9 Ų | 113.9 | 19% | 0.19 | 67% | 0.672 | C | S | . | * | H | α-helix | trans | -51.7 | -41.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P333 P334 A340 E341 M342 | P333-A338 HydrophobicContact CB-CB 3.89Å; P333-A338 HydrophobicContact CG-CB 3.46Å; P333-A338 VanDerWaalsContact CG-CB 3.46Å; P334-A338 PolarHBondContact O-N 3.15Å; A338-A340 VanDerWaalsContact C-N 3.29Å; A338-A340 PolarHBondContact O-N 2.79Å; A338-E341 PolarHBondContact O-N 3.35Å; A338-M342 WeakPolarHBondContact O-CB 3.2Å; A338-M342 WeakPolarHBondContact O-CG 3.36Å; A338-M342 PolarHBondContact O-N 3.14Å |
| 339 | L | 37.1 | Very low | 36.9 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 71% | 0.712 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.8 | -23.2 | -178.7 | -135.8 | 171.4 | 0 | 0 | 0 | 112.5 | T337 L343 | T337-L339 PolarHBondContact O-N 2.78Å; T337-L339 VanDerWaalsContact O-N 3.15Å; L339-L343 HydrophobicContact CD2-CD1 4.28Å |
| 340 | A | 39.6 | Very low | 36.6 | Very low | 60 Ų | 60 | 120.6 Ų | 120.6 | 50% | 0.496 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -80.1 | -32.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T337 A338 | T337-A340 WeakPolarHBondContact O-CB 3.3Å; T337-A340 PolarHBondContact O-N 2.96Å; A338-A340 VanDerWaalsContact C-N 3.29Å; A338-A340 PolarHBondContact O-N 2.79Å |
| 341 | E | 38.9 | Very low | 36.8 | Very low | 147 Ų | 147 | 119.7 Ų | 119.7 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -94.1 | -33.1 | -176.6 | -66.2 | -175 | 105.8 | 0 | 0 | 113.3 | T337 A338 L343 Q344 | T337-E341 PolarHBondContact O-N 2.87Å; A338-E341 PolarHBondContact O-N 3.35Å; E341-L343 PolarHBondContact O-N 2.63Å; E341-Q344 PolarHBondContact O-N 2.86Å; E341-Q344 VanDerWaalsContact O-N 3.09Å |
| 342 | M | 40 | Very low | 36.9 | Very low | 169 Ų | 169 | 120 Ų | 120 | 83% | 0.833 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -11.7 | 174.6 | -77.4 | -178.1 | 63.5 | 0 | 0 | 114.1 | A338 | A338-M342 WeakPolarHBondContact O-CB 3.2Å; A338-M342 WeakPolarHBondContact O-CG 3.36Å; A338-M342 PolarHBondContact O-N 3.14Å |
| 343 | L | 43.7 | Very low | 37.3 | Very low | 142 Ų | 142 | 118.7 Ų | 118.7 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 1.8 | 176.1 | -86.6 | 166.9 | 0 | 0 | 0 | 114.6 | L339 E341 | L339-L343 HydrophobicContact CD2-CD1 4.28Å; E341-L343 PolarHBondContact O-N 2.63Å |
| 344 | Q | 45.2 | Very low | 37.4 | Very low | 137 Ų | 137 | 124.2 Ų | 124.2 | 64% | 0.64 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -116.2 | -19.4 | -165.9 | -66.9 | -156.5 | 14.5 | 0 | 0 | 119.9 | E341 | E341-Q344 PolarHBondContact O-N 2.86Å; E341-Q344 VanDerWaalsContact O-N 3.09Å |
| 345 | K | 40.9 | Very low | 37.6 | Very low | 203 Ų | 203 | 127 Ų | 127 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | -160.9 | 141.8 | 173.5 | -92.5 | 115.8 | -170 | 175.9 | 0 | 115 | ||||
| 346 | G | 34.1 | Very low | 37.9 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | trans | 116.4 | 81.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 347 | S | 33.7 | Very low | 37.6 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | 67.9 | 126.4 | 85.3 | -152.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 348 | V | 33.1 | Very low | 37.5 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | -159.4 | 173.3 | 58.4 | -75.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 349 | K | 37.2 | Very low | 37.3 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 87.2 | 89.7 | 161.7 | -62.1 | 179.3 | -178.4 | 178.1 | 0 | 120.3 | ||||
| 350 | S | 32.3 | Very low | 37.5 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | 48.9 | 146.1 | 119.7 | -149.5 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 351 | A | 38 | Very low | 37.2 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | 90.3 | 95.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 352 | F | 29.7 | Very low | 37 | Very low | 224 Ų | 224 | 145.8 Ų | 145.8 | 98% | 0.982 | 77% | 0.773 | S | S | * | * | trans | 68.3 | 148.3 | 134.4 | -122.3 | -100.7 | 0 | 0 | 0 | 121.6 | ||||
| 353 | G | 35.5 | Very low | 36.7 | Very low | 65 Ų | 65 | 142.5 Ų | 142.5 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | trans | 138.2 | 0.9 | 139.7 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 354 | K | 38.1 | Very low | 36.3 | Very low | 198 Ų | 198 | 141.7 Ų | 141.7 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 24 | 141.2 | 156.3 | -92 | 179.1 | 177.9 | 176.7 | 0 | 123 | ||||
| 355 | I | 38.9 | Very low | 35.8 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 111.3 | 105.6 | 137.7 | -75.5 | 161 | 0 | 0 | 0 | 122.9 | ||||
| 356 | Q | 41.9 | Very low | 35.4 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | 78.4 | 116.5 | 130.8 | -68.1 | -170.3 | 27.4 | 0 | 0 | 128.6 | ||||
| 357 | N | 34.2 | Very low | 35.2 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | 73.5 | 156.1 | 119.4 | -68.3 | -25.1 | 0 | 0 | 0 | 125.9 | |||||
| 358 | K | 40 | Very low | 35.1 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | 94.7 | 132.3 | 156.2 | -162 | -178.7 | 177.9 | -178.3 | 0 | 117 | ||||
| 359 | R | 32.2 | Very low | 35.1 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | cis | -176.4 | 153.7 | -20.5 | -138.1 | -173.7 | 174.5 | -142.1 | 11.2 | 111.7 | ||||
| 360 | Q | 40.6 | Very low | 34.5 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 66% | 0.659 | 77% | 0.766 | S | S | * | * | trans | 65 | 154 | 158.4 | -68.8 | 167.7 | -67.1 | 0 | 0 | 118.3 | ||||
| 361 | N | 34.2 | Very low | 34.5 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | cis | -163.5 | 154.3 | -16.8 | -119.8 | 32.2 | 0 | 0 | 0 | 110.8 | ||||
| 362 | S | 33.7 | Very low | 34.1 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 37.1 | 143 | 152.1 | 53.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 363 | S | 34.9 | Very low | 34.2 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -171.5 | 169.2 | 2.8 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 364 | T | 34.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | 67.3 | 132.3 | 156.9 | 43 | 0 | 0 | 0 | 0 | 122 | ||||
| 365 | S | 33.6 | Very low | 33.3 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | 48.7 | 122.9 | 157.1 | 51.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 366 | D | 33.3 | Very low | 32.8 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | cis | -139.2 | 154.2 | 2.3 | -73.2 | -48.4 | 0 | 0 | 0 | 111.4 | ||||
| 367 | L | 29.9 | Very low | 32.2 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 89% | 0.89 | 75% | 0.748 | S | S | * | * | trans | -130.2 | 97 | -163.7 | -79.1 | 169.5 | 0 | 0 | 0 | 115.2 | ||||
| 368 | S | 31 | Very low | 32 | Very low | 129 Ų | 129 | 136 Ų | 136 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -142.2 | 50 | 137.3 | 71.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 369 | S | 33.4 | Very low | 31.5 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | -92.9 | 155.1 | -170.5 | -169.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 370 | C | 26.1 | Very low | 31.4 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 68% | 0.676 | 73% | 0.731 | S | S | * | * | trans | -51.9 | 151.1 | 172.3 | -45.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 371 | K | 30.5 | Very low | 30.9 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | -164.1 | 127.3 | 132.9 | -96.4 | 134.1 | -167.6 | 172.7 | 0 | 108.4 | ||||
| 372 | S | 29.3 | Very low | 30.8 | Very low | 86 Ų | 86 | 128.4 Ų | 128.4 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | cis | 61.9 | 97.2 | 27.2 | 92.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 373 | E | 32 | Very low | 30.9 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | 55.2 | 99.7 | 115.7 | -155.1 | 172.2 | 131.4 | 0 | 0 | 117.5 | |||||
| 374 | C | 25.6 | Very low | 30.6 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -145 | 104.1 | 149.7 | -86.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 375 | T | 30.9 | Very low | 30.5 | Very low | 113 Ų | 113 | 128 Ų | 128 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | 56.7 | 113.9 | 84 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 376 | K | 28 | Very low | 30.5 | Very low | 182 Ų | 182 | 129.3 Ų | 129.3 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | -165.7 | 107.7 | 128.9 | -84.6 | -145.6 | 176.8 | 176.3 | 0 | 106.9 | |||||
| 377 | N | 28.1 | Very low | 30.5 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | 110.2 | 141.6 | 97.6 | -84.7 | 36.3 | 0 | 0 | 0 | 107.4 | |||||
| 378 | E | 30.8 | Very low | 31 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | cis | -144 | 129.5 | -12.9 | -96.8 | 151.5 | 103.1 | 0 | 0 | 104 | ||||
| 379 | S | 28.7 | Very low | 31.4 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | 43.4 | 77.6 | 71.1 | 72.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 380 | F | 30.6 | Very low | 31.9 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | trans | -148.4 | 114 | 142.8 | -88.5 | -68 | 0 | 0 | 0 | 108.9 | ||||
| 381 | H | 30.5 | Very low | 33 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | 59.4 | 106.4 | 107.9 | -81.5 | -105.5 | 0 | 0 | 0 | 113.9 | |||||
| 382 | A | 30.7 | Very low | 33.5 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | 83.3 | -175.5 | 70.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 383 | P | 35.9 | Very low | 33.9 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | -120.2 | -161.4 | -108.6 | 34.4 | -15.1 | 0 | 0 | 0 | 112.3 | |||||
| 384 | S | 30.4 | Very low | 34.2 | Very low | 101 Ų | 101 | 123.1 Ų | 123.1 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | 77.3 | 152.6 | 163 | -49.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 385 | T | 31.9 | Very low | 35 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 69% | 0.693 | 71% | 0.707 | S | S | * | * | cis | -162.3 | 170.8 | 3.6 | -3.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 386 | N | 34 | Very low | 35.6 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | trans | 76 | 108.7 | 146.7 | -65.8 | -11.8 | 0 | 0 | 0 | 121.4 | ||||
| 387 | N | 33.4 | Very low | 35.8 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | 93.6 | 142.4 | 113.3 | -70.4 | -2.3 | 0 | 0 | 0 | 122.6 | |||||
| 388 | V | 40.2 | Very low | 36.1 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | trans | 72.8 | 119.8 | 149.9 | 165.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 389 | D | 39.1 | Very low | 36.4 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | cis | -161.1 | 159.7 | -0.1 | -140.5 | -47.2 | 0 | 0 | 0 | 114.4 | ||||
| 390 | S | 43.5 | Very low | 36.6 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | trans | 73.6 | 152.5 | 141.2 | -85.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 391 | P | 48.8 | Very low | 37.2 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | -142.5 | -151.3 | -104.3 | 34.4 | -8.9 | 0 | 0 | 0 | 115.1 | |||||
| 392 | V | 40.8 | Very low | 37.2 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | 88.7 | 126.9 | 159.1 | 165.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 393 | T | 38.7 | Very low | 37.5 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 62% | 0.62 | 71% | 0.708 | S | S | * | * | cis | -160.5 | 168.8 | -34.2 | -29.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 394 | N | 38.7 | Very low | 37.5 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | trans | 77.7 | 139.6 | 152.8 | -65.3 | -25.3 | 0 | 0 | 0 | 119.7 | ||||
| 395 | V | 41.1 | Very low | 37.7 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | cis | -160.6 | 156.1 | -24.4 | 109 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 396 | P | 44.2 | Very low | 38 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | trans | -116.6 | -152.2 | -169.5 | 43.9 | -33 | 0 | 0 | 0 | 114.7 | ||||
| 397 | R | 32.1 | Very low | 38 | Very low | 235 Ų | 235 | 129.9 Ų | 129.9 | 89% | 0.887 | 71% | 0.709 | S | S | * | * | trans | 84.6 | 153.6 | 179.5 | -98.4 | 169.7 | 173.4 | 140 | -0.6 | 115.1 | ||||
| 398 | S | 34.1 | Very low | 38.1 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | cis | -159.2 | 140.1 | 26.6 | -141.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 399 | T | 36.6 | Very low | 38.1 | Very low | 103 Ų | 103 | 130 Ų | 130 | 63% | 0.632 | 71% | 0.711 | S | S | * | * | 63 | 123.6 | 122.3 | -51.9 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 400 | I | 32.5 | Very low | 38.1 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | cis | 81.1 | 141.8 | 49.8 | -68.4 | 167.4 | 0 | 0 | 0 | 112.8 | ||||
| 401 | P | 43.2 | Very low | 37.9 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | cis | -144.2 | -152.6 | -26.9 | 43.1 | -20.9 | 0 | 0 | 0 | 114.8 | ||||
| 402 | D | 32.3 | Very low | 36.9 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | trans | 53.3 | 125.3 | 149.1 | -65.7 | -21.6 | 0 | 0 | 0 | 122.1 | ||||
| 403 | N | 36.2 | Very low | 36.6 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | -162 | 143.7 | 67.1 | -90.1 | -85.8 | 0 | 0 | 0 | 111.5 | |||||
| 404 | R | 35.4 | Very low | 36.1 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | 48.2 | 135.1 | 88.2 | -44.4 | -178 | -169.5 | 178.9 | 4.8 | 114.3 | |||||
| 405 | H | 35.2 | Very low | 36 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | cis | -158.9 | 143.1 | 41.7 | -107 | -96 | 0 | 0 | 0 | 112.9 | ||||
| 406 | L | 37.6 | Very low | 35.3 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | trans | 64.4 | 156.2 | 146.8 | -57 | 171.7 | 0 | 0 | 0 | 119.1 | ||||
| 407 | N | 33.3 | Very low | 34.7 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | cis | -145.8 | 167.9 | 0.2 | -137.9 | -20.8 | 0 | 0 | 0 | 113.8 | ||||
| 408 | L | 37.5 | Very low | 34.7 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -89.2 | -175.4 | 176.1 | -78.3 | 80.3 | 0 | 0 | 0 | 110.6 | ||||
| 409 | P | 38.7 | Very low | 34.4 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | cis | -143.7 | -178.1 | 12.7 | 44.3 | -24.2 | 0 | 0 | 0 | 119.1 | ||||
| 410 | I | 39 | Very low | 34.3 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | trans | -94.1 | 137.7 | 168.7 | -64.2 | 152.3 | 0 | 0 | 0 | 109.5 | N412 | I410-N412 HydrophobicContact CG2-CB 4.26Š| ||
| 411 | P | 39.4 | Very low | 34.1 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | -139.5 | 149.8 | 110.9 | 22.6 | -2.1 | 0 | 0 | 0 | 113.1 | |||||
| 412 | N | 29.3 | Very low | 33.5 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | cis | 90.9 | 143.6 | 29.2 | -164.9 | 22.8 | 0 | 0 | 0 | 114.2 | I410 | I410-N412 HydrophobicContact CG2-CB 4.26Š| ||
| 413 | L | 34.6 | Very low | 33.4 | Very low | 137 Ų | 137 | 133 Ų | 133 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | 69 | 156.7 | 175.9 | -59.6 | 148.6 | 0 | 0 | 0 | 116.3 | ||||
| 414 | N | 27.7 | Very low | 33.3 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | cis | -174.1 | 177.4 | -38.4 | -145.7 | -3.8 | 0 | 0 | 0 | 107 | ||||
| 415 | H | 35.9 | Very low | 33.7 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | 69.6 | 163.4 | 164.3 | -51.3 | -54.1 | 0 | 0 | 0 | 118.2 | ||||
| 416 | N | 27.2 | Very low | 34 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | cis | -168.1 | 151 | -43.5 | -160.4 | 11.4 | 0 | 0 | 0 | 109.1 | ||||
| 417 | L | 30.5 | Very low | 34.4 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | trans | 58.8 | 147.9 | 158.4 | -73.9 | 160.3 | 0 | 0 | 0 | 121.3 | ||||
| 418 | N | 31.6 | Very low | 34.4 | Very low | 137 Ų | 137 | 128 Ų | 128 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | 63.9 | 126.5 | 151.2 | -63.1 | -12 | 0 | 0 | 0 | 118.7 | ||||
| 419 | N | 28.8 | Very low | 34.2 | Very low | 118 Ų | 118 | 128 Ų | 128 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | cis | 91.5 | 133.9 | 47.8 | -175.1 | 32.7 | 0 | 0 | 0 | 112.5 | ||||
| 420 | H | 33.5 | Very low | 33.9 | Very low | 173 Ų | 173 | 126 Ų | 126 | 80% | 0.801 | 73% | 0.725 | S | S | * | * | trans | 62.9 | 144.7 | -164.7 | -43.5 | -77.2 | 0 | 0 | 0 | 112.8 | ||||
| 421 | G | 29.5 | Very low | 33.5 | Very low | 60 Ų | 60 | 124.7 Ų | 124.7 | 62% | 0.619 | 73% | 0.73 | S | S | * | * | cis | 149 | 160.5 | 8.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 422 | S | 30.4 | Very low | 33.2 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | trans | 62.2 | 126.4 | -180 | 24.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 423 | S | 30.2 | Very low | 33.5 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | 86 | 99.2 | 55.1 | 177 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 424 | S | 34.7 | Very low | 33.4 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -156.7 | 110.8 | 147.2 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 425 | V | 42.7 | Very low | 34.1 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -74 | 172 | 148.7 | -148.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 426 | P | 41.9 | Very low | 33.8 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | -150.3 | -162 | 97.9 | 48.2 | -30 | 0 | 0 | 0 | 112.1 | |||||
| 427 | P | 46.9 | Very low | 34.2 | Very low | 92 Ų | 92 | 123.4 Ų | 123.4 | 60% | 0.597 | 75% | 0.753 | S | S | * | * | -122.8 | -173.9 | -121.4 | 25.9 | 2.2 | 0 | 0 | 0 | 113.3 | |||||
| 428 | F | 33.3 | Very low | 34.4 | Very low | 167 Ų | 167 | 125 Ų | 125 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | -172.1 | 135.6 | 80.2 | -94.7 | -88.1 | 0 | 0 | 0 | 108.9 | |||||
| 429 | I | 31.6 | Very low | 34.6 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | 57.4 | 131.3 | 99.4 | -59.7 | -164.3 | 0 | 0 | 0 | 114 | |||||
| 430 | A | 34.1 | Very low | 35.4 | Very low | 77 Ų | 77 | 124.7 Ų | 124.7 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | -142.3 | 156.9 | 5.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 431 | S | 29.7 | Very low | 35.5 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | 55.6 | 122.5 | 82.4 | -45.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 432 | G | 34.1 | Very low | 35.4 | Very low | 67 Ų | 67 | 125.9 Ų | 125.9 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | 145.2 | 88.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 433 | D | 35.6 | Very low | 35.5 | Very low | 170 Ų | 170 | 125 Ų | 125 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | trans | 54.4 | 156.2 | 137 | -58.6 | -63.7 | 0 | 0 | 0 | 125.9 | ||||
| 434 | N | 30.8 | Very low | 35.8 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -75 | 179.4 | 173.1 | -96.4 | -55.7 | 0 | 0 | 0 | 113.1 | ||||
| 435 | P | 42.2 | Very low | 35.8 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | cis | -137.7 | 179.5 | -10 | 35.8 | -16 | 0 | 0 | 0 | 116.6 | ||||
| 436 | A | 30.2 | Very low | 35.2 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 72.6 | 164.3 | 145 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 437 | M | 36.5 | Very low | 34.5 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | trans | 68 | 141.9 | 178.4 | -60.1 | -62.9 | 178.2 | 0 | 0 | 115.7 | ||||
| 438 | Q | 34 | Very low | 33.8 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | cis | -157.6 | 146.9 | -10.9 | 173.8 | 65.3 | -4.5 | 0 | 0 | 109.1 | ||||
| 439 | M | 36.3 | Very low | 33.6 | Very low | 142 Ų | 142 | 133 Ų | 133 | 70% | 0.7 | 78% | 0.776 | S | S | * | * | trans | -85.7 | 155.8 | 178.3 | -82.5 | -78.1 | -75.2 | 0 | 0 | 114 | ||||
| 440 | P | 44.2 | Very low | 33.5 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | -130.3 | 132.1 | 116.5 | 34.4 | -25 | 0 | 0 | 0 | 112.4 | |||||
| 441 | H | 36 | Very low | 33.2 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | 63.3 | 137.4 | 87.9 | -58.9 | -58.3 | 0 | 0 | 0 | 113.8 | |||||
| 442 | C | 28 | Very low | 33.5 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 72% | 0.716 | 78% | 0.784 | S | S | * | * | cis | -171.2 | 169.8 | -2.6 | -99.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 443 | S | 32.5 | Very low | 33.3 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | cis | -178 | 162.8 | -16 | -86.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 444 | T | 36.3 | Very low | 33.2 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -70.9 | 170.7 | 171.8 | -11.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 445 | P | 35.5 | Very low | 33 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | -157.7 | 173.5 | 76.7 | 42.5 | -20.6 | 0 | 0 | 0 | 120.8 | |||||
| 446 | Q | 29.3 | Very low | 32.3 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -27.9 | 154.5 | 164.1 | -71.5 | -83.6 | -15.6 | 0 | 0 | 122.9 | ||||
| 447 | R | 27.9 | Very low | 32.2 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | 30.7 | 136.5 | 140.1 | -79.8 | 178.7 | 166 | -157.8 | -2.9 | 122.1 | ||||
| 448 | G | 31.6 | Very low | 31.8 | Very low | 76 Ų | 76 | 148.6 Ų | 148.6 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | -177.2 | 133.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 449 | N | 29.9 | Very low | 31.8 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | -90.1 | 147.4 | 175.3 | -65.4 | 5.9 | 0 | 0 | 0 | 111 | ||||
| 450 | C | 28.4 | Very low | 31.8 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | -174.9 | 164.7 | 118.9 | -153.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 451 | Y | 29.1 | Very low | 31.4 | Very low | 214 Ų | 214 | 147.2 Ų | 147.2 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -89.5 | 149 | 176.1 | -76.2 | -105.8 | 0 | 0 | 0 | 112.9 | ||||
| 452 | K | 34.2 | Very low | 31.3 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | -178.4 | 138.7 | 115.6 | -99.7 | 168.1 | -176.2 | -179.2 | 0 | 112.5 | Y454 | K452-Y454 HydrophobicContact CD-CE2 4.43Š| |||
| 453 | P | 31 | Very low | 31.7 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -92.3 | 147.3 | 167.8 | 36 | -31.6 | 0 | 0 | 0 | 111.7 | ||||
| 454 | Y | 32.3 | Very low | 31.8 | Very low | 216 Ų | 216 | 148.6 Ų | 148.6 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -145.4 | 153.4 | 163.3 | -84.9 | -73.6 | 0 | 0 | 0 | 111.1 | K452 | K452-Y454 HydrophobicContact CD-CE2 4.43Š| ||
| 455 | E | 27.2 | Very low | 31.8 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -102.4 | 170.6 | -173.8 | -91.6 | -158.9 | 125.4 | 0 | 0 | 113.8 | ||||
| 456 | L | 28.1 | Very low | 31.7 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | 84.5 | 137.5 | 150.2 | -78.5 | 157.8 | 0 | 0 | 0 | 121.7 | ||||
| 457 | Q | 28.2 | Very low | 31.8 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 73% | 0.729 | 81% | 0.805 | S | S | * | * | trans | 90.2 | 97.2 | 142.2 | -80.9 | 172.4 | 20.9 | 0 | 0 | 122.9 | ||||
| 458 | T | 28.3 | Very low | 32 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | 57.3 | 125.2 | 122.9 | 55.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 459 | S | 33.5 | Very low | 31.9 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | -164 | 155.4 | 116.8 | 50 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 460 | L | 35.6 | Very low | 31.8 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -97.7 | 162.7 | 177.5 | -126.1 | 76.3 | 0 | 0 | 0 | 111.3 | Q462 | L460-Q462 HydrophobicContact CD2-CG 4.24Š| ||
| 461 | P | 37.3 | Very low | 31.8 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | -131.3 | 156 | 83.5 | 9.2 | 15 | 0 | 0 | 0 | 113.5 | |||||
| 462 | Q | 34 | Very low | 31.7 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | 58.3 | 137 | 72.3 | -50.5 | -173.2 | 11.7 | 0 | 0 | 113.5 | L460 | L460-Q462 HydrophobicContact CD2-CG 4.24Š| |||
| 463 | T | 35.2 | Very low | 31.4 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | cis | -149.3 | 151 | 39.2 | 53.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 464 | S | 35.2 | Very low | 31.3 | Very low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 37.9 | 130.7 | 143.3 | 65.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 465 | G | 36.8 | Very low | 31.3 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 177.7 | 81 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 466 | V | 31.7 | Very low | 31.5 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 95% | 0.952 | 79% | 0.787 | S | S | * | * | trans | -84.7 | 147 | -178.2 | -72.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 467 | G | 32.8 | Very low | 32.1 | Very low | 74 Ų | 74 | 123 Ų | 123 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 163.7 | 87 | 165 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 468 | A | 32.1 | Very low | 32.4 | Very low | 69 Ų | 69 | 121.1 Ų | 121.1 | 57% | 0.57 | 80% | 0.795 | S | S | * | * | trans | 43.6 | 110.9 | 134.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 469 | Y | 29.1 | Very low | 32.7 | Very low | 212 Ų | 212 | 119.5 Ų | 119.5 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | 8.8 | 131.6 | 133.2 | 16.9 | -91.9 | 0 | 0 | 0 | 118.2 | ||||
| 470 | T | 28.5 | Very low | 32.9 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | -159.4 | 162.6 | 58.8 | 44.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 471 | A | 27.1 | Very low | 32.8 | Very low | 96 Ų | 96 | 121.5 Ų | 121.5 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 32.8 | 126.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 472 | A | 27.5 | Very low | 32.6 | Very low | 100 Ų | 100 | 121 Ų | 121 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 83.3 | 149.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 473 | A | 27.8 | Very low | 32.7 | Very low | 86 Ų | 86 | 118.3 Ų | 118.3 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 67.8 | 110 | 161.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 474 | L | 28.4 | Very low | 32.5 | Very low | 173 Ų | 173 | 119.9 Ų | 119.9 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | 48.2 | 98.8 | 125.8 | -56.2 | 170.8 | 0 | 0 | 0 | 119.6 | |||||
| 475 | A | 32.5 | Very low | 32.5 | Very low | 103 Ų | 103 | 123 Ų | 123 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | 177.8 | 143.9 | 123.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 476 | S | 32 | Very low | 32.1 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -87.1 | 161.6 | 158.1 | -49.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 477 | P | 40.7 | Very low | 32.1 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | -141 | -177.9 | 108 | 36.8 | -22.9 | 0 | 0 | 0 | 114.3 | |||||
| 478 | S | 33.5 | Very low | 32.1 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -133.6 | -170.4 | -170.7 | -48.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 479 | A | 35.8 | Very low | 32.1 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | 82.7 | 151.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 480 | L | 37.3 | Very low | 32.3 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | cis | -139.9 | 173 | 15.6 | -69.7 | 160.8 | 0 | 0 | 0 | 109.5 | ||||
| 481 | Q | 34.6 | Very low | 32.7 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | cis | -174.7 | 160.4 | -28.7 | 177.7 | 177.2 | -27.5 | 0 | 0 | 107.9 | ||||
| 482 | S | 33.1 | Very low | 32.9 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | 73.8 | 152.1 | 165.9 | -73.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 483 | S | 34.7 | Very low | 33 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | -162.9 | 146.3 | -6.1 | 39.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 484 | N | 30.5 | Very low | 33.1 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | 18.3 | 128.3 | 155.1 | -59.8 | -27.5 | 0 | 0 | 0 | 122 | ||||
| 485 | Q | 35.4 | Very low | 33.3 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | -167.9 | 175.4 | 99.3 | -105.9 | 177.4 | 99.5 | 0 | 0 | 114.9 | |||||
| 486 | Q | 30.2 | Very low | 33.2 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -72.9 | 144.5 | -159.9 | -60.8 | 155.7 | -102.5 | 0 | 0 | 116.2 | ||||
| 487 | L | 31.8 | Very low | 33.1 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | 177.7 | 125.8 | 112.5 | -96.5 | 161.6 | 0 | 0 | 0 | 110.8 | |||||
| 488 | S | 31.8 | Very low | 32.8 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -150 | 135 | 172.6 | 55 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 489 | N | 32.5 | Very low | 32.5 | Very low | 160 Ų | 160 | 154.8 Ų | 154.8 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -130.3 | 122.4 | 171.6 | -86 | -31.9 | 0 | 0 | 0 | 107.7 | ||||
| 490 | N | 33.2 | Very low | 32.4 | Very low | 164 Ų | 164 | 157.3 Ų | 157.3 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -140.1 | 132.9 | 170 | -116 | -12.7 | 0 | 0 | 0 | 108.4 | ||||
| 491 | P | 36.7 | Very low | 32.2 | Very low | 99 Ų | 99 | 158.2 Ų | 158.2 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | trans | -91.9 | 173 | -169.2 | 36.8 | -37.4 | 0 | 0 | 0 | 114.3 | ||||
| 492 | F | 32 | Very low | 32.1 | Very low | 194 Ų | 194 | 154.5 Ų | 154.5 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | 66.7 | 101 | 169.4 | -64.8 | -74.5 | 0 | 0 | 0 | 118.4 | ||||
| 493 | N | 28.1 | Very low | 32.2 | Very low | 150 Ų | 150 | 157 Ų | 157 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -141.8 | 133.7 | 138.8 | -111.1 | -82.8 | 0 | 0 | 0 | 108.1 | ||||
| 494 | F | 29.4 | Very low | 32.1 | Very low | 209 Ų | 209 | 158.1 Ų | 158.1 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -143 | 96.1 | 167.7 | -157.5 | -86.9 | 0 | 0 | 0 | 109.2 | ||||
| 495 | T | 32.9 | Very low | 32.2 | Very low | 114 Ų | 114 | 159.1 Ų | 159.1 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -110.5 | 147.7 | -178.4 | -11.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 496 | Q | 30.8 | Very low | 32.2 | Very low | 180 Ų | 180 | 154.4 Ų | 154.4 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -57.9 | 139.5 | -173.1 | -64.9 | -175.9 | -6.3 | 0 | 0 | 113.4 | ||||
| 497 | N | 30.3 | Very low | 32.2 | Very low | 152 Ų | 152 | 156.8 Ų | 156.8 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -165.4 | 98.2 | 145.4 | -100.9 | -47.7 | 0 | 0 | 0 | 111.2 | ||||
| 498 | F | 33.4 | Very low | 32 | Very low | 220 Ų | 220 | 153.3 Ų | 153.3 | 97% | 0.965 | 79% | 0.789 | S | S | * | * | trans | -139.4 | 123.8 | 151.9 | -89.4 | -71.9 | 0 | 0 | 0 | 108.9 | ||||
| 499 | R | 28.4 | Very low | 32.1 | Very low | 221 Ų | 221 | 155.9 Ų | 155.9 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -143.2 | 148.2 | -179.9 | -153.9 | -172.5 | -174.9 | 166.2 | 3.5 | 107.9 | ||||
| 500 | N | 32.9 | Very low | 31.9 | Very low | 144 Ų | 144 | 153.7 Ų | 153.7 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 66.1 | 98.6 | 176 | -48.1 | -20 | 0 | 0 | 0 | 115 | ||||
| 501 | N | 33.9 | Very low | 31.9 | Very low | 171 Ų | 171 | 149.7 Ų | 149.7 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | -142.7 | 148.5 | 102.8 | -137.2 | -6.1 | 0 | 0 | 0 | 109.6 | |||||
| 502 | A | 31.6 | Very low | 32 | Very low | 82 Ų | 82 | 149.7 Ų | 149.7 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -129.8 | 150.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 503 | I | 35.9 | Very low | 32.3 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -172 | 114.8 | 144.5 | -97.4 | 148.1 | 0 | 0 | 0 | 109 | ||||
| 504 | N | 32.5 | Very low | 32.4 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | trans | 41.7 | 110.6 | 144.6 | -55.2 | -24.2 | 0 | 0 | 0 | 121.7 | ||||
| 505 | H | 32.4 | Very low | 32.6 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | 52.5 | 158.3 | 101.5 | -73.1 | -58.8 | 0 | 0 | 0 | 121.3 | |||||
| 506 | P | 35.8 | Very low | 32.7 | Very low | 84 Ų | 84 | 141.6 Ų | 141.6 | 55% | 0.545 | 79% | 0.788 | S | S | . | * | cis | -143.1 | -172 | -45.5 | 36.2 | -15.7 | 0 | 0 | 0 | 113.7 | ||||
| 507 | Y | 30.2 | Very low | 33 | Very low | 216 Ų | 216 | 141.4 Ų | 141.4 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | 68 | 158.2 | 165.3 | -60.6 | -57 | 0 | 0 | 0 | 117.9 | ||||
| 508 | S | 27.9 | Very low | 33.5 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | cis | -168.9 | 165.9 | -37.2 | -113 | 0 | 0 | 0 | 0 | 112 | ||||
| 509 | H | 32.4 | Very low | 33.6 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 66.8 | 100.3 | 150.9 | -85.3 | -69 | 0 | 0 | 0 | 122.1 | ||||
| 510 | S | 30 | Very low | 33.8 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | 59.8 | 129.6 | 120.8 | 63.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 511 | G | 32.2 | Very low | 33.8 | Very low | 80 Ų | 80 | 126 Ų | 126 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -156.5 | 125.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 512 | A | 38.2 | Very low | 34 | Very low | 100 Ų | 100 | 126 Ų | 126 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -156.7 | 140.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 513 | P | 38.6 | Very low | 34.2 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | trans | -120.9 | 162 | 145.8 | 37.1 | -27.3 | 0 | 0 | 0 | 110.4 | ||||
| 514 | G | 31.4 | Very low | 34.1 | Very low | 62 Ų | 62 | 127 Ų | 127 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | cis | 156 | 164.1 | 0.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 515 | L | 33.9 | Very low | 34.1 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | trans | 72.5 | 135.2 | -176.5 | -44.1 | 168.3 | 0 | 0 | 0 | 114.7 | ||||
| 516 | T | 35.1 | Very low | 33.9 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | cis | -154 | 138.6 | -16 | 16.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 517 | H | 35.7 | Very low | 33.6 | Very low | 177 Ų | 177 | 122.2 Ų | 122.2 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | -97.6 | 169.7 | 172.7 | -96.6 | -58.2 | 0 | 0 | 0 | 110.6 | ||||
| 518 | P | 41.2 | Very low | 33.6 | Very low | 113 Ų | 113 | 116.6 Ų | 116.6 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | cis | -135.6 | 173.9 | 47 | 41 | -20.6 | 0 | 0 | 0 | 114.9 | ||||
| 519 | S | 34.6 | Very low | 33.9 | Very low | 96 Ų | 96 | 116.9 Ų | 116.9 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | cis | 68.8 | 151 | 39.2 | -92.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 520 | T | 34 | Very low | 34.1 | Very low | 127 Ų | 127 | 115.8 Ų | 115.8 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | cis | 179.4 | 146.7 | -18.1 | -92 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 521 | A | 32.7 | Very low | 34.4 | Very low | 78 Ų | 78 | 114.6 Ų | 114.6 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | trans | 176 | 150.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 522 | M | 37.6 | Very low | 34.6 | Very low | 171 Ų | 171 | 115.1 Ų | 115.1 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | 51.1 | 113.4 | 159.4 | -66.5 | -178.3 | -73.1 | 0 | 0 | 118.3 | ||||
| 523 | A | 35.3 | Very low | 34.8 | Very low | 94 Ų | 94 | 120 Ų | 120 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | cis | 75.8 | 84.3 | 11.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 524 | L | 34.2 | Very low | 34.9 | Very low | 160 Ų | 160 | 122.3 Ų | 122.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -160.2 | 123.6 | 150.6 | -92 | 135.6 | 0 | 0 | 0 | 104.6 | ||||
| 525 | A | 32.1 | Very low | 35.2 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | 65.4 | 134.3 | 55.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 526 | A | 28.3 | Very low | 35.5 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | cis | -163.4 | 156.7 | -15.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 527 | A | 29.4 | Very low | 35.6 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 24 | 129.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 528 | A | 30.4 | Very low | 35.5 | Very low | 98 Ų | 98 | 124 Ų | 124 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 87.9 | 162.4 | 135.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 529 | A | 34.5 | Very low | 35.3 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 72.6 | 148.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 530 | V | 35.9 | Very low | 35.3 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | cis | -152.3 | 167.4 | -15.5 | 117.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 531 | A | 36.6 | Very low | 35.4 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -83.8 | 164.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 532 | A | 36 | Very low | 35.4 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 72.4 | 126.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 533 | H | 43.2 | Very low | 34.9 | Very low | 203 Ų | 203 | 126.2 Ų | 126.2 | 94% | 0.94 | 79% | 0.792 | S | S | * | * | trans | -143.3 | 149.7 | 138.9 | -109.8 | -80.3 | 0 | 0 | 0 | 110 | ||||
| 534 | Q | 40.4 | Very low | 35 | Very low | 181 Ų | 181 | 127 Ų | 127 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -135.8 | 135.3 | -164.8 | 174.1 | -161.6 | 45.1 | 0 | 0 | 110.6 | ||||
| 535 | K | 39.3 | Very low | 34.8 | Very low | 170 Ų | 170 | 124 Ų | 124 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | -169.9 | 125.6 | 150.2 | -116.3 | -171.7 | 175.3 | -172.3 | 0 | 113.9 | ||||
| 536 | Q | 39.7 | Very low | 34.6 | Very low | 139 Ų | 139 | 125.2 Ų | 125.2 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | 52.7 | 145.7 | 128 | -68.3 | 173.3 | -5.1 | 0 | 0 | 120.1 | |||||
| 537 | Q | 37.3 | Very low | 34.7 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | cis | -160.6 | 137.6 | 16.4 | -132.9 | 165.8 | 80.2 | 0 | 0 | 113.8 | ||||
| 538 | S | 33.8 | Very low | 34.7 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 49.4 | 128.9 | 140.8 | 59.6 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 539 | G | 35.4 | Very low | 34.7 | Very low | 65 Ų | 65 | 128.5 Ų | 128.5 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | 150 | 92.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 540 | V | 35.5 | Very low | 34.8 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | 49.7 | 136.7 | 92 | -45.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 541 | S | 35.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | cis | -174.1 | 172.9 | -13.5 | 53.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 542 | S | 32.8 | Very low | 34.2 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | cis | -160.7 | 170.5 | 13.5 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 543 | F | 27.2 | Very low | 34.1 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -88.6 | -176.3 | 160.6 | -63.8 | -83.9 | 0 | 0 | 0 | 110.8 | ||||
| 544 | P | 37.9 | Very low | 33.5 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | cis | -148.6 | -176.7 | 9.3 | 46.4 | -26.6 | 0 | 0 | 0 | 119.9 | ||||
| 545 | S | 29.7 | Very low | 33.1 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | 85.7 | 112.1 | 136.6 | -75.2 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 546 | C | 27.8 | Very low | 32.8 | Very low | 116 Ų | 116 | 124 Ų | 124 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | 70.4 | 167.7 | 130.9 | -48.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 547 | V | 31.1 | Very low | 32.6 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | cis | -143.2 | 163.2 | 11.2 | -157.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 548 | L | 30.2 | Very low | 32.9 | Very low | 167 Ų | 167 | 119.7 Ų | 119.7 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -30.8 | 153.7 | 176.8 | -79.6 | 58.6 | 0 | 0 | 0 | 121.9 | ||||
| 549 | G | 29.6 | Very low | 33.1 | Very low | 65 Ų | 65 | 121.8 Ų | 121.8 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | 122.6 | 108.8 | 121.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 550 | S | 35.8 | Very low | 33.6 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | 77.4 | 116.3 | 51 | 79.4 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 551 | N | 30.9 | Very low | 33.7 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | 172.5 | 138.2 | 129.7 | -88.8 | -10.2 | 0 | 0 | 0 | 115.5 | |||||
| 552 | F | 30.3 | Very low | 33.9 | Very low | 187 Ų | 187 | 121.5 Ų | 121.5 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | 41.9 | 161.2 | 139.2 | -57.4 | -51.8 | 0 | 0 | 0 | 123.8 | ||||
| 553 | S | 32.5 | Very low | 34.2 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | cis | -179.7 | 157 | -29.7 | -169.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 554 | S | 31.6 | Very low | 34.4 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | 68.7 | 165.4 | 157.6 | -43.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 555 | A | 31.3 | Very low | 34.8 | Very low | 80 Ų | 80 | 120.2 Ų | 120.2 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | cis | -157.8 | 152.5 | 10.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 556 | L | 33.2 | Very low | 34.8 | Very low | 179 Ų | 179 | 120.8 Ų | 120.8 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | trans | 63.8 | 149.8 | 146.4 | -62.3 | 165 | 0 | 0 | 0 | 121.6 | ||||
| 557 | G | 35.9 | Very low | 35.2 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -94.2 | -159.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 558 | P | 42.9 | Very low | 35.2 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | -147.3 | -172.5 | 67.7 | 41.5 | -23.1 | 0 | 0 | 0 | 116.7 | |||||
| 559 | I | 39 | Very low | 35.2 | Very low | 157 Ų | 157 | 118.8 Ų | 118.8 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | trans | -89 | 149.5 | 179.9 | -60.2 | 159 | 0 | 0 | 0 | 111.5 | ||||
| 560 | P | 46.2 | Very low | 35.4 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -116.9 | 142.1 | 141.6 | -0.5 | 21.8 | 0 | 0 | 0 | 112.7 | ||||
| 561 | G | 37.6 | Very low | 35.3 | Very low | 59 Ų | 59 | 130 Ų | 130 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | trans | -100.5 | -177.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 562 | P | 38.4 | Very low | 35.4 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -77.8 | 148.4 | -177.3 | 32.7 | -35.6 | 0 | 0 | 0 | 112.8 | ||||
| 563 | V | 40 | Very low | 35.4 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -135.7 | 125.9 | 173.4 | -74.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 564 | S | 31.1 | Very low | 35.5 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -89.7 | 148.9 | 162.9 | -50.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 565 | P | 45.4 | Very low | 35.4 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | trans | -119.9 | 166.4 | 142.3 | 35.6 | -28.1 | 0 | 0 | 0 | 111.4 | ||||
| 566 | S | 30.2 | Very low | 35.5 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -131.4 | -179 | -180 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 567 | I | 35.6 | Very low | 35.3 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 89.2 | 131.4 | 161.5 | -59 | 165.6 | 0 | 0 | 0 | 118 | ||||
| 568 | D | 32.1 | Very low | 35.2 | Very low | 133 Ų | 133 | 131 Ų | 131 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 71.8 | 101.6 | 158.4 | -82.2 | -45.2 | 0 | 0 | 0 | 124.7 | ||||
| 569 | S | 29.7 | Very low | 34.8 | Very low | 90 Ų | 90 | 130 Ų | 130 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | 50.9 | 116.4 | 106 | -52.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 570 | R | 34.5 | Very low | 34.9 | Very low | 236 Ų | 236 | 128 Ų | 128 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | 179.6 | 124.6 | 105.1 | -96.4 | 160.2 | -166 | -173.7 | 6.1 | 116.2 | |||||
| 571 | H | 32.6 | Very low | 34.8 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | 67.9 | 136.9 | 132.9 | -102.6 | -133.8 | 0 | 0 | 0 | 124.4 | ||||
| 572 | I | 33.5 | Very low | 35 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | 90.1 | 87.5 | 147.1 | -61.7 | 161.7 | 0 | 0 | 0 | 119.7 | ||||
| 573 | T | 30.5 | Very low | 34.8 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | 43.1 | 139 | 111.9 | -29.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 574 | A | 34.1 | Very low | 34.6 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | trans | 120.3 | 99 | 132.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 575 | N | 30 | Very low | 34.7 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | 75.9 | 112.4 | 116.6 | -68.7 | 13 | 0 | 0 | 0 | 124.3 | |||||
| 576 | T | 33.1 | Very low | 34.4 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | 77.4 | 118.9 | 120.1 | 62.6 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 577 | N | 29.2 | Very low | 34.4 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | 79 | 161.6 | 124.3 | -60.8 | -5 | 0 | 0 | 0 | 122.2 | |||||
| 578 | T | 34.2 | Very low | 34.4 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | 79.4 | 141 | 165.9 | 71.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 579 | S | 34.2 | Very low | 34.5 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | cis | -156.9 | 160.1 | -11.7 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 580 | T | 41.1 | Very low | 34.7 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | -59.4 | 162.7 | 167.7 | -7.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 581 | P | 43.2 | Very low | 34.6 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | -134.3 | 168 | 118.7 | 38.7 | -30 | 0 | 0 | 0 | 115.2 | |||||
| 582 | P | 41.4 | Very low | 34.7 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | trans | -135.7 | -167.5 | -162.3 | 39.6 | -18.6 | 0 | 0 | 0 | 116.3 | ||||
| 583 | I | 34.9 | Very low | 34.8 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 78.6 | 121.1 | 160.6 | -58.5 | 158.4 | 0 | 0 | 0 | 118.7 | ||||
| 584 | A | 35.9 | Very low | 35 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | -173.9 | 156.2 | 129.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 585 | H | 33.5 | Very low | 35 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -114.4 | 148.1 | -177.8 | -64.8 | -114.6 | 0 | 0 | 0 | 112.7 | ||||
| 586 | S | 38.6 | Very low | 35.1 | Very low | 126 Ų | 126 | 134 Ų | 134 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | -160.6 | 128.4 | 147.2 | -158.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 587 | E | 29.8 | Very low | 35.1 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -99.9 | 153.3 | 178.7 | -59.4 | 175.1 | 130.2 | 0 | 0 | 111.5 | ||||
| 588 | K | 36.2 | Very low | 35.7 | Very low | 214 Ų | 214 | 133.2 Ų | 133.2 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | -156.1 | 113.4 | 147.7 | -117.1 | 166.7 | -172.8 | 176.8 | 0 | 112.4 | ||||
| 589 | H | 33.7 | Very low | 35.7 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | -74.6 | 145.9 | 171.5 | -93 | -126.4 | 0 | 0 | 0 | 112 | ||||
| 590 | T | 35.2 | Very low | 35.8 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | 171.2 | 126.3 | 120.3 | 38 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 591 | S | 31.2 | Very low | 35.6 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 56% | 0.559 | 76% | 0.757 | S | S | * | * | cis | 105.3 | 89.8 | 13.6 | 80.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 592 | I | 34.4 | Very low | 35.2 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -144.2 | 94.7 | 151.3 | -53.3 | -179.9 | 0 | 0 | 0 | 105 | ||||
| 593 | L | 37.3 | Very low | 34.9 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | 61.6 | 147.8 | 77.3 | -86.1 | 87.4 | 0 | 0 | 0 | 116 | |||||
| 594 | E | 33.3 | Very low | 34.8 | Very low | 150 Ų | 150 | 135 Ų | 135 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | 166.8 | 149.7 | -35.4 | 165.9 | 167.6 | -154.9 | 0 | 0 | 108.3 | ||||
| 595 | S | 34.1 | Very low | 34.7 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -168 | 123.6 | 144.9 | 45 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 596 | S | 31.5 | Very low | 34.5 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | trans | -165.1 | 170.6 | 171.2 | -78.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 597 | T | 33.3 | Very low | 34.3 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | 70.8 | 176 | 171.8 | 82.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 598 | P | 41.7 | Very low | 34.2 | Very low | 96 Ų | 96 | 133.3 Ų | 133.3 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | cis | -141.7 | 153.3 | 4.1 | 37.7 | -17.1 | 0 | 0 | 0 | 120.2 | ||||
| 599 | T | 36 | Very low | 34.1 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | 66.5 | 167.8 | 143 | 61.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 600 | S | 35.9 | Very low | 33.9 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | cis | -160.1 | 144.8 | 18.4 | -158.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 601 | Q | 36.8 | Very low | 33.8 | Very low | 151 Ų | 151 | 123.5 Ų | 123.5 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 61.7 | 156.6 | 151.3 | -74.7 | -178.2 | 33.1 | 0 | 0 | 118.3 | ||||
| 602 | R | 35.4 | Very low | 33.7 | Very low | 183 Ų | 183 | 129.8 Ų | 129.8 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | cis | -166.4 | 169.9 | 2.8 | -120.4 | -167.1 | 150.2 | 88.3 | 16.6 | 108.2 | ||||
| 603 | D | 33.9 | Very low | 33.6 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 58% | 0.578 | 74% | 0.737 | S | S | * | * | cis | -165 | 151.7 | -21.3 | -130.7 | 6.7 | 0 | 0 | 0 | 107.6 | ||||
| 604 | S | 33.7 | Very low | 33.5 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | 64.1 | 154 | 163.9 | -70 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 605 | A | 33.4 | Very low | 33.6 | Very low | 81 Ų | 81 | 127.1 Ų | 127.1 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | cis | -159.5 | 146.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 606 | Y | 30 | Very low | 33.3 | Very low | 207 Ų | 207 | 129.1 Ų | 129.1 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | 63.6 | 108 | 146.8 | -83.7 | -104.6 | 0 | 0 | 0 | 123.6 | ||||
| 607 | T | 34.1 | Very low | 33.2 | Very low | 119 Ų | 119 | 130 Ų | 130 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | trans | 67.8 | 155 | 130.1 | 56.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 608 | N | 28.1 | Very low | 33 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | cis | -171.7 | 159.5 | -29.6 | -168.2 | 5.4 | 0 | 0 | 0 | 108.2 | ||||
| 609 | L | 33.1 | Very low | 32.6 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | 61.9 | 148.2 | -179.7 | -53.9 | 104.3 | 0 | 0 | 0 | 115.6 | ||||
| 610 | G | 30.4 | Very low | 32.5 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | cis | 130 | 119.8 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 611 | G | 31.3 | Very low | 32.5 | Very low | 75 Ų | 75 | 133.1 Ų | 133.1 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 155.2 | 130.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 612 | Y | 29.2 | Very low | 32.8 | Very low | 213 Ų | 213 | 130.7 Ų | 130.7 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | -93.5 | 140.4 | 172.2 | -76 | -111.6 | 0 | 0 | 0 | 110.6 | ||||
| 613 | H | 33.1 | Very low | 32.8 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | trans | -161.1 | 145.9 | 137.7 | -135.7 | -93.2 | 0 | 0 | 0 | 113.7 | ||||
| 614 | S | 34.6 | Very low | 32.9 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -73.5 | 157.4 | 160.8 | -43.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 615 | P | 36.6 | Very low | 32.9 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | -157.3 | 166.9 | 90.9 | 41.7 | -22.8 | 0 | 0 | 0 | 117.9 | |||||
| 616 | I | 28 | Very low | 33 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 80% | 0.795 | 76% | 0.758 | S | S | * | * | 29.7 | 141.6 | 127.9 | -46.7 | 175.3 | 0 | 0 | 0 | 120.1 | |||||
| 617 | T | 29 | Very low | 33 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | trans | -45.5 | 155.7 | 164.5 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 618 | N | 28.8 | Very low | 33 | Very low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | 178.3 | 151.2 | 64 | -143.9 | 1.1 | 0 | 0 | 0 | 111.6 | |||||
| 619 | S | 33.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 49.2 | 175.7 | 156.4 | 75.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 620 | S | 33.4 | Very low | 32.8 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | cis | -157.4 | 165.9 | 1.6 | -164.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 621 | I | 35.7 | Very low | 32.8 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | 163.1 | 146.7 | 129.6 | -86.5 | 164.5 | 0 | 0 | 0 | 112.5 | |||||
| 622 | P | 42.6 | Very low | 32.8 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | -132.8 | 179.7 | -157.2 | 43.6 | -26.9 | 0 | 0 | 0 | 116.6 | ||||
| 623 | Y | 36.2 | Very low | 32.7 | Very low | 229 Ų | 229 | 130.8 Ų | 130.8 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | trans | -142.8 | 123.7 | 148.1 | -93.4 | -91 | 0 | 0 | 0 | 107 | ||||
| 624 | A | 35.8 | Very low | 32.8 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | 81.3 | 139.5 | 81.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 625 | Q | 34.1 | Very low | 32.4 | Very low | 180 Ų | 180 | 130.6 Ų | 130.6 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | cis | -164.1 | 172.5 | -0.8 | -146.9 | -172.1 | -5.1 | 0 | 0 | 112.4 | ||||
| 626 | V | 34.6 | Very low | 32.2 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | trans | 70.6 | 93.8 | 159 | -171.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 627 | S | 30.8 | Very low | 32.4 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | 24 | 140.8 | 117.7 | -45.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 628 | H | 33.1 | Very low | 32.6 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | 160.9 | 123.3 | 105.8 | -80.1 | -65.5 | 0 | 0 | 0 | 115.6 | |||||
| 629 | L | 30.3 | Very low | 32.9 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 42.2 | 117.5 | 145.4 | -74.2 | 91.1 | 0 | 0 | 0 | 124.6 | ||||
| 630 | S | 28 | Very low | 33 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 63.6 | 106.7 | 125.3 | 73.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 631 | A | 28.9 | Very low | 33.1 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | 79.6 | 152.2 | 110.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 632 | T | 31.5 | Very low | 33.2 | Very low | 140 Ų | 140 | 135 Ų | 135 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | 87 | 143.1 | 163.5 | 67 | 0 | 0 | 0 | 0 | 121 | ||||
| 633 | N | 27 | Very low | 32.9 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -35.2 | 156.8 | 174.2 | -61.5 | -29.5 | 0 | 0 | 0 | 115.8 | ||||
| 634 | T | 35 | Very low | 32.9 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | -170.8 | 154.3 | 68.8 | -52.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 635 | D | 28 | Very low | 33 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -56.1 | 147.6 | 165.3 | -89.2 | -76.2 | 0 | 0 | 0 | 114 | ||||
| 636 | C | 31.4 | Very low | 33.2 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | -172.5 | 162.5 | 111 | -153.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 637 | N | 32.4 | Very low | 33.6 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -90.8 | 155.7 | 175.4 | -68.6 | -94.8 | 0 | 0 | 0 | 111.7 | ||||
| 638 | Q | 34.1 | Very low | 33.9 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | 167.8 | 134.2 | 102.1 | -89.2 | -152.6 | 10.9 | 0 | 0 | 116.8 | |||||
| 639 | V | 33.5 | Very low | 34.2 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 62% | 0.624 | 78% | 0.781 | S | S | * | * | trans | 66.3 | 128 | 131.5 | 177.9 | 0 | 0 | 0 | 0 | 121.7 | F641 | V639-F641 HydrophobicContact CG1-CD2 3.59Å; V639-F641 HydrophobicContact CG1-CE2 3.53Å | ||
| 640 | G | 37.2 | Very low | 34.7 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -163 | 104.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 641 | F | 34.1 | Very low | 35.2 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -92 | 146.4 | -169.8 | -72.9 | -93.5 | 0 | 0 | 0 | 115.9 | V639 | V639-F641 HydrophobicContact CG1-CD2 3.59Å; V639-F641 HydrophobicContact CG1-CE2 3.53Å | ||
| 642 | K | 38.9 | Very low | 35.7 | Very low | 193 Ų | 193 | 140 Ų | 140 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | -176.6 | 131.5 | 127.5 | -93.1 | 144.4 | -170.2 | 173.8 | 0 | 108.9 | |||||
| 643 | R | 36.8 | Very low | 36.1 | Very low | 236 Ų | 236 | 139.8 Ų | 139.8 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | cis | 103.8 | 134.4 | 45.8 | -168.4 | -173.7 | -153.7 | -174.4 | 8.8 | 109.5 | ||||
| 644 | A | 35.9 | Very low | 36.8 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | cis | -176.1 | -173.2 | -22 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 645 | V | 37.2 | Very low | 36.9 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | 80.9 | 137.5 | 160.8 | -171.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 646 | L | 38.4 | Very low | 37.3 | Very low | 159 Ų | 159 | 138 Ų | 138 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | cis | -170.4 | -179.2 | -38.9 | -102.7 | 165.9 | 0 | 0 | 0 | 107.1 | ||||
| 647 | P | 42.2 | Very low | 37.8 | Very low | 101 Ų | 101 | 141 Ų | 141 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | trans | -114.5 | 180 | -151.3 | 44.6 | -39 | 0 | 0 | 0 | 116.3 | ||||
| 648 | H | 38.3 | Very low | 38.4 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -143.8 | 139 | 160.1 | -93.8 | -81.8 | 0 | 0 | 0 | 112.6 | ||||
| 649 | P | 38.9 | Very low | 38.6 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -105.3 | 158.5 | 155.7 | 37.6 | -29.7 | 0 | 0 | 0 | 111.6 | ||||
| 650 | G | 41.4 | Very low | 39 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 120.3 | 130.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 651 | E | 38.2 | Very low | 38.9 | Very low | 199 Ų | 199 | 144 Ų | 144 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | 70.2 | 149.2 | 154.2 | -55.8 | -166.2 | 106.7 | 0 | 0 | 122.1 | ||||
| 652 | A | 39.1 | Very low | 38.9 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 72.2 | 138.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 653 | P | 41.3 | Very low | 39 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -116.3 | 161.1 | -174.2 | 41.8 | -32.9 | 0 | 0 | 0 | 115.8 | ||||
| 654 | G | 41.2 | Very low | 39.2 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | 179 | 145.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 655 | A | 36.2 | Very low | 39.3 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | 49.7 | 107 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 656 | Y | 37.3 | Very low | 39.3 | Very low | 214 Ų | 214 | 139.3 Ų | 139.3 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | cis | 73.5 | 87.8 | 16.8 | -131.2 | -65.2 | 0 | 0 | 0 | 116.3 | P658 | Y656-P658 HydrophobicContact CE1-CB 4.2Š| ||
| 657 | E | 40.4 | Very low | 39.4 | Very low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -148 | 150 | 136.6 | -101.6 | -122 | 90.3 | 0 | 0 | 109 | ||||
| 658 | P | 45.5 | Very low | 39.3 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 53% | 0.532 | 83% | 0.829 | S | S | . | * | trans | -133 | 166.6 | -133.4 | 40.8 | -25.8 | 0 | 0 | 0 | 117.1 | Y656 | Y656-P658 HydrophobicContact CE1-CB 4.2Š| ||
| 659 | S | 38.9 | Very low | 39.7 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -63 | 144 | 159.6 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | R661 | S659-R661 PolarHBondContact O-N 3.02Š|
| 660 | P | 41.1 | Very low | 39.6 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -69.7 | 125.4 | -174.1 | 27.6 | -35 | 0 | 0 | 0 | 112.4 | ||||
| 661 | R | 36.3 | Very low | 39.7 | Very low | 224 Ų | 224 | 145 Ų | 145 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | -137.3 | 127.1 | 168.5 | -166.2 | 176 | -174.8 | 112.1 | -0.1 | 110 | S659 | S659-R661 PolarHBondContact O-N 3.02Š| ||
| 662 | F | 34.2 | Very low | 39.8 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -62.9 | 138.6 | 177 | -63.2 | -101.6 | 0 | 0 | 0 | 111.5 | ||||
| 663 | H | 39.9 | Very low | 39.7 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -159 | 160.7 | 140.8 | -91.3 | -60.3 | 0 | 0 | 0 | 110 | ||||
| 664 | L | 41 | Very low | 39.8 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -96.5 | 153.6 | -174.6 | -69.2 | 128.7 | 0 | 0 | 0 | 112.2 | ||||
| 665 | G | 37.9 | Very low | 39.4 | Very low | 87 Ų | 87 | 157.5 Ų | 157.5 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | 105.3 | 119.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 666 | G | 38.7 | Very low | 39.5 | Very low | 81 Ų | 81 | 160.1 Ų | 160.1 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | 167.1 | 129.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 667 | Q | 40.4 | Very low | 39.4 | Very low | 195 Ų | 195 | 155.2 Ų | 155.2 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -99.4 | 149.6 | -170.1 | -65.4 | -179.5 | 5.7 | 0 | 0 | 113.2 | ||||
| 668 | S | 40.3 | Very low | 39.2 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -64.9 | 148.5 | 166.7 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 669 | P | 45.4 | Very low | 38.9 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 68% | 0.675 | 82% | 0.823 | S | S | * | * | -150.2 | 134.3 | 103.8 | 35.2 | -18.2 | 0 | 0 | 0 | 115.5 | |||||
| 670 | N | 37.7 | Very low | 38.9 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 77% | 0.765 | 83% | 0.828 | S | S | * | * | 171.2 | 103.1 | 116.8 | -99.2 | -79.3 | 0 | 0 | 0 | 112.4 | |||||
| 671 | K | 43.7 | Very low | 38.9 | Very low | 207 Ų | 207 | 150.4 Ų | 150.4 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | trans | -97.2 | 129.7 | 147 | -96.1 | -177.7 | 175.3 | 176.2 | 0 | 107.5 | A673 | K671-A673 PolarHBondContact O-N 2.7Å; K671-A673 VanDerWaalsContact O-N 3.11Å | ||
| 672 | R | 38.7 | Very low | 39 | Very low | 247 Ų | 247 | 145.7 Ų | 145.7 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -60.8 | 112 | 178.3 | -115 | 178.2 | 174.5 | 172.3 | -2.1 | 110.3 | ||||
| 673 | A | 38.4 | Very low | 39.2 | Very low | 69 Ų | 69 | 142 Ų | 142 | 57% | 0.57 | 82% | 0.818 | S | S | * | * | trans | -73.4 | 140.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K671 Y675 | K671-A673 PolarHBondContact O-N 2.7Å; K671-A673 VanDerWaalsContact O-N 3.11Å; A673-Y675 HydrophobicContact CB-CD2 3.85Å; A673-Y675 HydrophobicContact CB-CE2 3.74Å | ||
| 674 | R | 43.8 | Very low | 39.1 | Very low | 253 Ų | 253 | 138.1 Ų | 138.1 | 96% | 0.955 | 81% | 0.812 | S | S | * | * | trans | -102.9 | 106.9 | 159.5 | -78 | -112.9 | -86.4 | 167.6 | -7.3 | 107.2 | ||||
| 675 | Y | 32.1 | Very low | 38.8 | Very low | 202 Ų | 202 | 136.8 Ų | 136.8 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -83.5 | 175.7 | 177.5 | -88.2 | -88.7 | 0 | 0 | 0 | 112.1 | A673 | A673-Y675 HydrophobicContact CB-CD2 3.85Å; A673-Y675 HydrophobicContact CB-CE2 3.74Å | ||
| 676 | L | 37.6 | Very low | 38.7 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | 87.4 | 89 | 163.7 | -49.1 | -178.8 | 0 | 0 | 0 | 117.7 | ||||
| 677 | S | 35.3 | Very low | 38.5 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | 174 | 95.5 | 128.6 | -72.6 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 678 | T | 36.3 | Very low | 38.1 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | 70 | 80 | 74.4 | 66.2 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 679 | A | 39.5 | Very low | 37.9 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -166.6 | 115 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 680 | S | 39.9 | Very low | 37.6 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | 56.1 | 123.7 | 82.5 | 69.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 681 | G | 39.4 | Very low | 37.6 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | cis | -136.9 | 176.6 | 3.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 682 | S | 39.5 | Very low | 37.8 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | 68 | 131 | 76.6 | -51 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 683 | S | 38.6 | Very low | 38.2 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | cis | -166.5 | 167.8 | -2.9 | 37.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 684 | S | 36.6 | Very low | 38.2 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -76 | 155.2 | 176.2 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 685 | N | 35.5 | Very low | 38 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 165.7 | 133.8 | 142.2 | -83.6 | -4 | 0 | 0 | 0 | 107.2 | ||||
| 686 | S | 34.7 | Very low | 38.3 | Very low | 92 Ų | 92 | 117.3 Ų | 117.3 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | cis | 94.5 | 122.3 | 34.5 | 79.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 687 | L | 35.1 | Very low | 38.2 | Very low | 157 Ų | 157 | 113.4 Ų | 113.4 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 72.1 | 117 | 165.2 | -88 | 70.4 | 0 | 0 | 0 | 120.5 | ||||
| 688 | S | 32.8 | Very low | 38.4 | Very low | 93 Ų | 93 | 113.8 Ų | 113.8 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | 83.7 | 141.3 | 123.2 | -58.3 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 689 | T | 36.3 | Very low | 38.2 | Very low | 117 Ų | 117 | 116.9 Ų | 116.9 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | 69.1 | 123.7 | 143.3 | 43 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 690 | D | 37.8 | Very low | 38.3 | Very low | 155 Ų | 155 | 117.3 Ų | 117.3 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | 63.2 | 135.3 | 135.5 | -54 | -34.3 | 0 | 0 | 0 | 123.2 | ||||
| 691 | G | 38.4 | Very low | 38.1 | Very low | 71 Ų | 71 | 119.2 Ų | 119.2 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 109.7 | 131.5 | 137 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 692 | P | 48.7 | Very low | 38.1 | Very low | 124 Ų | 124 | 119.2 Ų | 119.2 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -86.9 | 172.5 | 167.2 | 38.2 | -35.6 | 0 | 0 | 0 | 111.7 | ||||
| 693 | P | 45.8 | Very low | 37.8 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | -148.7 | 138.3 | 105.1 | 36.3 | -19.8 | 0 | 0 | 0 | 117.3 | |||||
| 694 | L | 37.9 | Very low | 37.6 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | 48.3 | 146.5 | 128 | -53.5 | 175.7 | 0 | 0 | 0 | 123.4 | |||||
| 695 | S | 40.5 | Very low | 37.5 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | 99.2 | 127.5 | 159.4 | -41.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 696 | G | 37.3 | Very low | 37.4 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | cis | 174.5 | 157.1 | -9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 697 | G | 37.2 | Very low | 37.4 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | 87 | 145.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 698 | S | 37.7 | Very low | 37.4 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | cis | -155.4 | 137.9 | -11.9 | -74.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 699 | F | 32.9 | Very low | 37.5 | Very low | 202 Ų | 202 | 130.2 Ų | 130.2 | 89% | 0.886 | 76% | 0.764 | S | S | * | * | trans | -77.2 | 174.6 | 155.4 | -81 | -84.3 | 0 | 0 | 0 | 109.1 | ||||
| 700 | P | 42 | Very low | 37.5 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | cis | -158.9 | -166.8 | 37.4 | 46.7 | -23.2 | 0 | 0 | 0 | 119.2 | ||||
| 701 | D | 36 | Very low | 37.4 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | 62.7 | 152.9 | 144.5 | -67.6 | -42.1 | 0 | 0 | 0 | 124.3 | ||||
| 702 | G | 38.7 | Very low | 37.4 | Very low | 67 Ų | 67 | 129.2 Ų | 129.2 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | 102 | 101.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 703 | N | 33.1 | Very low | 36.5 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | 67.8 | 126.8 | 56.1 | -72.6 | -13.7 | 0 | 0 | 0 | 116.5 | |||||
| 704 | E | 35 | Very low | 35.7 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | 69.4 | 147.8 | 165.4 | -50 | -140.4 | 119.7 | 0 | 0 | 117.2 | ||||
| 705 | R | 34.1 | Very low | 35.3 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 60% | 0.6 | 75% | 0.747 | S | S | * | * | cis | -167.2 | 155 | -16 | -117.7 | -161.7 | -124 | 177.5 | 13.1 | 110.7 | ||||
| 706 | Y | 33.7 | Very low | 35.1 | Very low | 198 Ų | 198 | 128.8 Ų | 128.8 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | 58.5 | 158.6 | 166.5 | -60 | -63.1 | 0 | 0 | 0 | 116.3 | ||||
| 707 | S | 34.4 | Very low | 34.8 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | cis | -146.7 | 164.8 | -27.6 | -140.5 | 0 | 0 | 0 | 0 | 105 | ||||
| 708 | E | 35 | Very low | 34.5 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | cis | -157.3 | 149.6 | 16.1 | -157.4 | 140 | 113.2 | 0 | 0 | 110.1 | ||||
| 709 | Q | 35 | Very low | 34.1 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | trans | 24.3 | 143.4 | 146.9 | -60.2 | 173.9 | 42.1 | 0 | 0 | 121.9 | ||||
| 710 | V | 35.4 | Very low | 34.1 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | cis | -159.5 | 151.5 | -2.8 | 115.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 711 | A | 36 | Very low | 33.8 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | trans | -119.5 | 159.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 712 | P | 39.5 | Very low | 34 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | -142.9 | 174.6 | 87.2 | 40.9 | -24 | 0 | 0 | 0 | 112 | |||||
| 713 | V | 28.5 | Very low | 34.4 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | cis | 71.3 | 149.2 | 32.5 | -161.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 714 | I | 30.7 | Very low | 34.6 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | trans | 79 | 98.6 | 175 | -49.5 | -173.7 | 0 | 0 | 0 | 114 | ||||
| 715 | T | 28.8 | Very low | 35.1 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | 79.7 | 154.3 | 82.1 | -49.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 716 | H | 36.1 | Very low | 35.4 | Very low | 147 Ų | 147 | 123.6 Ų | 123.6 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | trans | 72.4 | 153.6 | 178.2 | -50.5 | -69 | 0 | 0 | 0 | 113.6 | ||||
| 717 | N | 30.1 | Very low | 35.8 | Very low | 129 Ų | 129 | 119.2 Ų | 119.2 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | cis | 179.7 | 143.7 | -21.2 | -101.1 | -10.5 | 0 | 0 | 0 | 103.3 | ||||
| 718 | T | 31.2 | Very low | 36.1 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | 56.5 | 120.4 | 135.4 | -49.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 719 | S | 29.6 | Very low | 36.3 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | 90.8 | 122.6 | 139.4 | -81.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 720 | L | 33.4 | Very low | 36.5 | Very low | 166 Ų | 166 | 115.5 Ų | 115.5 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | 96.7 | 147.3 | 124.9 | -71.8 | 167.7 | 0 | 0 | 0 | 122.5 | |||||
| 721 | A | 35.1 | Very low | 36.6 | Very low | 86 Ų | 86 | 114.4 Ų | 114.4 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | 70.4 | 113.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 722 | V | 41.3 | Very low | 36.7 | Very low | 136 Ų | 136 | 115.1 Ų | 115.1 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | cis | 88 | 140.7 | 48.7 | 169 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 723 | P | 46.9 | Very low | 36.7 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | cis | -109.4 | 173.9 | -2.5 | 29.6 | -9.4 | 0 | 0 | 0 | 112.8 | ||||
| 724 | S | 36.3 | Very low | 37 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | cis | 70.3 | 143.1 | 40.6 | -57.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 725 | P | 46.9 | Very low | 37.7 | Very low | 120 Ų | 120 | 115.3 Ų | 115.3 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | cis | -119.7 | 148.3 | 35.4 | 42.1 | -29.9 | 0 | 0 | 0 | 115.5 | ||||
| 726 | A | 39.7 | Very low | 38.4 | Very low | 93 Ų | 93 | 115.3 Ų | 115.3 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | 72.2 | 144.3 | 93 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 727 | S | 41.2 | Very low | 38.5 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | cis | -175.6 | 160 | 0.2 | 33.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 728 | T | 41 | Very low | 38.9 | Very low | 143 Ų | 143 | 117.3 Ų | 117.3 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | cis | -166.1 | 176.2 | 1.6 | 13.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 729 | G | 38.7 | Very low | 39.5 | Very low | 54 Ų | 54 | 116.7 Ų | 116.7 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | cis | 160.3 | 171.6 | 1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 730 | S | 39.3 | Very low | 40 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | 61.4 | 152.3 | 174.2 | 37.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 731 | S | 38.9 | Very low | 40.1 | Very low | 106 Ų | 106 | 118.3 Ų | 118.3 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | cis | 179 | 156.6 | -16.5 | 49.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 732 | S | 37.3 | Very low | 41.1 | Very low | 97 Ų | 97 | 119 Ų | 119 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | -174.8 | 174.9 | -14.9 | 53.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 733 | S | 38.9 | Very low | 41 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 52.2 | 137.8 | 159 | 52.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 734 | N | 34.9 | Very low | 40.6 | Very low | 157 Ų | 157 | 117 Ų | 117 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | cis | 151.1 | 147.4 | -1.2 | -106.8 | -9.6 | 0 | 0 | 0 | 105.4 | ||||
| 735 | P | 45.5 | Very low | 40.6 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -88.7 | -172.5 | -176.2 | 42 | -40.7 | 0 | 0 | 0 | 112 | ||||
| 736 | P | 44 | Very low | 40.1 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | cis | -159.4 | -168.7 | 40.8 | 36 | -6.6 | 0 | 0 | 0 | 121.1 | ||||
| 737 | Q | 37.3 | Very low | 40 | Very low | 167 Ų | 167 | 121.3 Ų | 121.3 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | 84.7 | 111 | 154.8 | -49.7 | -159.6 | 25.3 | 0 | 0 | 124.7 | ||||
| 738 | I | 38.7 | Very low | 39.8 | Very low | 151 Ų | 151 | 122 Ų | 122 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | 27.9 | 129.2 | 108.3 | -64.9 | 173.7 | 0 | 0 | 0 | 117.5 | |||||
| 739 | P | 43.7 | Very low | 39.4 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | -161.7 | 146.3 | 88.2 | 42.1 | -20.2 | 0 | 0 | 0 | 122.8 | |||||
| 740 | T | 40.1 | Very low | 39.4 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | 68 | 161 | 137.7 | 58.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 741 | N | 35.5 | Very low | 39.3 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -155 | 153.3 | -170.3 | 178 | 37.7 | 0 | 0 | 0 | 110.9 | ||||
| 742 | P | 56.3 | Low | 39.1 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | trans | -137.7 | 129.9 | 172.2 | 37 | -19.4 | 0 | 0 | 0 | 118.9 | ||||
| 743 | T | 39.5 | Very low | 39 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 36.6 | 148.5 | 139.7 | 56.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 744 | G | 38.4 | Very low | 38.7 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | cis | 160.9 | 178 | -2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 745 | Y | 36.5 | Very low | 38.6 | Very low | 227 Ų | 227 | 134.3 Ų | 134.3 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | 70 | 152.9 | 169.5 | -65.6 | -95.3 | 0 | 0 | 0 | 119.7 | ||||
| 746 | S | 37 | Very low | 38 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | -176.6 | 151.5 | -25.2 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 747 | G | 37 | Very low | 37.6 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | 103.7 | 135.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 748 | S | 37.3 | Very low | 37.5 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | cis | 82.3 | 133.1 | 24.5 | -159.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 749 | C | 32.9 | Very low | 37.6 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | cis | -167.3 | 179.6 | -6.8 | 50.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 750 | G | 37.8 | Very low | 37.3 | Very low | 59 Ų | 59 | 133.1 Ų | 133.1 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | cis | 166.4 | -177.6 | 1.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 751 | T | 37.3 | Very low | 37.1 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | trans | 66.2 | 162.9 | 175.7 | 59.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 752 | S | 35.4 | Very low | 37.3 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | 174.4 | 136.3 | -38.4 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 753 | R | 34.7 | Very low | 36.3 | Very low | 223 Ų | 223 | 133.1 Ų | 133.1 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | -171.9 | -166.9 | 148.1 | -111.2 | 176.7 | -164.6 | -65.7 | -4.6 | 114.1 | ||||
| 754 | Q | 32.9 | Very low | 36.4 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 67% | 0.673 | 76% | 0.764 | S | S | * | * | trans | -136.3 | 158.7 | -165.3 | -56 | 151.2 | -64.1 | 0 | 0 | 112 | ||||
| 755 | Y | 33.6 | Very low | 36.2 | Very low | 238 Ų | 238 | 133.5 Ų | 133.5 | 93% | 0.933 | 77% | 0.765 | S | S | * | * | -160.3 | 155.6 | 117.5 | -95.9 | -64.6 | 0 | 0 | 0 | 109.6 | |||||
| 756 | S | 31.9 | Very low | 36.2 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | -143.1 | 141.5 | -157 | -43.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 757 | V | 36.7 | Very low | 36.4 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -164.3 | 117.5 | 144.6 | -96.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 758 | N | 35.3 | Very low | 36 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | 72.5 | 128.8 | 79.9 | -69.6 | 15.5 | 0 | 0 | 0 | 112.4 | |||||
| 759 | T | 39.2 | Very low | 36.4 | Very low | 107 Ų | 107 | 133 Ų | 133 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | cis | -166.6 | 139.1 | 9.1 | -93.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 760 | L | 37.8 | Very low | 36.3 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 48.6 | 158.5 | 158.5 | -89 | 53.8 | 0 | 0 | 0 | 120.2 | ||||
| 761 | D | 37 | Very low | 36.3 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | cis | -141.9 | -172.6 | 9 | -148.4 | -10.3 | 0 | 0 | 0 | 113.6 | ||||
| 762 | Q | 38.3 | Very low | 36.3 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -106.6 | 146.8 | -159.9 | -59.5 | 168 | 46 | 0 | 0 | 115.6 | ||||
| 763 | S | 35.6 | Very low | 36.3 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 44.1 | 167.5 | 123 | -51.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 764 | P | 41.9 | Very low | 36.1 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | cis | -136.1 | -179.6 | -46.7 | 39.5 | -23.4 | 0 | 0 | 0 | 113.8 | ||||
| 765 | S | 33.6 | Very low | 36.3 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -6.8 | 135.6 | 160.2 | 59.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 766 | M | 37.5 | Very low | 36.3 | Very low | 177 Ų | 177 | 141 Ų | 141 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -146.6 | 140 | 148.6 | -94.6 | -64.4 | 132.5 | 0 | 0 | 111.6 | ||||
| 767 | P | 40 | Very low | 36.5 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -91.7 | 170.2 | 173.2 | 37.1 | -34.1 | 0 | 0 | 0 | 113 | ||||
| 768 | S | 29 | Very low | 36.7 | Very low | 123 Ų | 123 | 142 Ų | 142 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -89.6 | 129.3 | -176.7 | -176 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 769 | P | 45.1 | Very low | 36.8 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | -107.2 | 139.2 | 170.1 | 36.3 | -28 | 0 | 0 | 0 | 113.6 | ||||
| 770 | Y | 32.1 | Very low | 37.1 | Very low | 232 Ų | 232 | 147.3 Ų | 147.3 | 91% | 0.91 | 79% | 0.786 | S | S | * | * | trans | -70.6 | 136.5 | 158.8 | -109.4 | -106.5 | 0 | 0 | 0 | 109.7 | ||||
| 771 | Y | 36.7 | Very low | 37.2 | Very low | 221 Ų | 221 | 149 Ų | 149 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -153.6 | 134.3 | 158.9 | -118.2 | -79 | 0 | 0 | 0 | 112.5 | ||||
| 772 | P | 38.8 | Very low | 37 | Very low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -106.4 | 140.7 | 174.2 | 36.6 | -29.9 | 0 | 0 | 0 | 113.7 | ||||
| 773 | G | 34.8 | Very low | 37.9 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 96.5 | 138.2 | 135.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 774 | R | 30.9 | Very low | 38 | Very low | 217 Ų | 217 | 145.7 Ų | 145.7 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | 81.1 | 153.1 | 159.2 | -65.1 | -167.9 | 175.8 | -126.6 | 6.6 | 120.3 | ||||
| 775 | Y | 36.1 | Very low | 38.1 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 71% | 0.71 | 80% | 0.797 | S | S | * | * | trans | 65 | 144.7 | 171.8 | -65.3 | -84 | 0 | 0 | 0 | 118.5 | ||||
| 776 | E | 35.2 | Very low | 39.1 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | cis | -172.7 | 155.3 | -34.4 | -176 | 152.1 | -105.5 | 0 | 0 | 107.3 | ||||
| 777 | G | 35.7 | Very low | 38.8 | Very low | 64 Ų | 64 | 144 Ų | 144 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | 57 | 82.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 778 | L | 40.2 | Very low | 38.8 | Very low | 183 Ų | 183 | 148.1 Ų | 148.1 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | -135.6 | 122.3 | 137.7 | -81 | -176.3 | 0 | 0 | 0 | 109.4 | ||||
| 779 | E | 38.1 | Very low | 39.1 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -81.3 | 137.6 | -179.5 | -62.6 | 172.8 | 96 | 0 | 0 | 111.7 | ||||
| 780 | M | 44.4 | Very low | 38.7 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -142.1 | 137.7 | 148.8 | -78.7 | -58.6 | -85.7 | 0 | 0 | 108.9 | ||||
| 781 | H | 40.6 | Very low | 38.9 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69 | 137.8 | -166.6 | -75.8 | -86.5 | 0 | 0 | 0 | 115.1 | ||
| 782 | S | 33.1 | Very low | 38.7 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 133.9 | 160.3 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 783 | P | 56.9 | Low | 38.5 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 126.1 | 163.7 | 30.4 | -31.6 | 0 | 0 | 0 | 110.2 | ||
| 784 | A | 37.4 | Very low | 38.7 | Very low | 89 Ų | 89 | 146.1 Ų | 146.1 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 154.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 785 | P | 43.8 | Very low | 38.9 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 145.6 | 170.3 | 31.5 | -35 | 0 | 0 | 0 | 111.2 | ||
| 786 | P | 55 | Low | 38.9 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 129.3 | 178.3 | 30.3 | -33.8 | 0 | 0 | 0 | 111.9 | ||
| 787 | S | 31.7 | Very low | 38.8 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -139.3 | 78 | -179 | 63.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 788 | H | 40 | Very low | 38.6 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -147.7 | 147.8 | 162.5 | -69 | -84 | 0 | 0 | 0 | 108 | ||||
| 789 | G | 34.2 | Very low | 38.1 | Very low | 61 Ų | 61 | 139.1 Ų | 139.1 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | cis | 128 | 125.4 | -3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 790 | L | 37.9 | Very low | 37.8 | Very low | 172 Ų | 172 | 137 Ų | 137 | 90% | 0.901 | 76% | 0.763 | S | S | * | * | trans | 70.6 | 148.7 | -179.6 | -47.8 | 176.1 | 0 | 0 | 0 | 113.1 | ||||
| 791 | L | 36.5 | Very low | 37.2 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | cis | -158 | 175.8 | -0.6 | -113.8 | 165.8 | 0 | 0 | 0 | 106 | ||||
| 792 | R | 32.7 | Very low | 36.7 | Very low | 204 Ų | 204 | 129.3 Ų | 129.3 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | cis | -153.8 | 164.2 | 10.1 | 178.2 | 171.7 | 171.8 | 158.4 | 0.1 | 110.3 | ||||
| 793 | S | 34.2 | Very low | 36.7 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | -69.3 | 160.5 | 177.9 | -28.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 794 | H | 38.6 | Very low | 35.4 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | -179.2 | 129.9 | 106.6 | -85 | -70.3 | 0 | 0 | 0 | 109 | |||||
| 795 | H | 34.7 | Very low | 35.3 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | 57.8 | 124.5 | 81.7 | -120 | -115.5 | 0 | 0 | 0 | 113.1 | |||||
| 796 | V | 35.5 | Very low | 34.8 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 57% | 0.57 | 76% | 0.76 | S | S | * | * | cis | -162.9 | 179.1 | 5.7 | 83.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 797 | Q | 33.6 | Very low | 33.8 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | trans | -13.3 | 155 | 157 | -69.4 | 160 | -57.9 | 0 | 0 | 118.2 | ||||
| 798 | N | 31.8 | Very low | 33.9 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | cis | -167.5 | 167.4 | 34 | -138.2 | 1 | 0 | 0 | 0 | 114.3 | ||||
| 799 | N | 30 | Very low | 33.8 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | trans | 56 | 127.6 | 150.5 | -86.2 | 7.7 | 0 | 0 | 0 | 124.2 | ||||
| 800 | T | 30.8 | Very low | 34.1 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 53.2 | 121.3 | 136.9 | 62.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 801 | G | 33 | Very low | 34 | Very low | 81 Ų | 81 | 133.5 Ų | 133.5 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | 170.8 | 120.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 802 | S | 29.2 | Very low | 34.3 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -82.5 | 141 | 168.1 | -49.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 803 | S | 33.5 | Very low | 34.4 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | 176.9 | 140.9 | 130.2 | 56.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 804 | N | 29.4 | Very low | 34.6 | Very low | 151 Ų | 151 | 130 Ų | 130 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | -40.1 | 146.9 | 165.3 | -44.8 | -28.5 | 0 | 0 | 0 | 117.7 | ||||
| 805 | S | 35.4 | Very low | 34.3 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | -172.1 | 112.6 | 123 | 55.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 806 | S | 33.2 | Very low | 34.4 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | 77.9 | 112.7 | 64.7 | -64.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 807 | W | 33.6 | Very low | 34.3 | Very low | 249 Ų | 249 | 129.8 Ų | 129.8 | 94% | 0.943 | 76% | 0.764 | S | S | * | * | trans | 178.7 | 127.2 | 140.5 | -75.6 | 112.7 | 0 | 0 | 0 | 108.1 | ||||
| 808 | N | 34.2 | Very low | 34 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -155.4 | 161 | -29.5 | -144.4 | -3.6 | 0 | 0 | 0 | 110.1 | ||||
| 809 | I | 38.1 | Very low | 34 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -107.1 | 169.4 | 176.6 | -14.3 | 177.7 | 0 | 0 | 0 | 110.2 | ||||
| 810 | P | 39.6 | Very low | 34 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | -142.5 | -175.9 | 67.3 | 32.4 | -9.2 | 0 | 0 | 0 | 113.8 | |||||
| 811 | G | 37.1 | Very low | 33.9 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | cis | -175.9 | 169.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 812 | P | 41.8 | Very low | 33.9 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | trans | -139.6 | -165.6 | -153.3 | 37.2 | -14.7 | 0 | 0 | 0 | 117.3 | ||||
| 813 | L | 34.6 | Very low | 34.1 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | 80.2 | 166.1 | 157.8 | -64.2 | 160.7 | 0 | 0 | 0 | 118.7 | ||||
| 814 | P | 39.7 | Very low | 34.2 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | cis | -146.1 | 168.4 | -40.5 | 40.6 | -23.7 | 0 | 0 | 0 | 118.4 | ||||
| 815 | S | 32 | Very low | 34.3 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | 4.7 | 143 | 148.6 | 67.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 816 | K | 35.4 | Very low | 34 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | 164.6 | 155 | 141.4 | -96 | 159.1 | -177.9 | -179.3 | 0 | 109.9 | ||||
| 817 | T | 34.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | cis | -163.7 | 167.2 | -19.7 | 14.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 818 | N | 27.8 | Very low | 33.9 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | -5.2 | 154.5 | 151.6 | -38.6 | -26.6 | 0 | 0 | 0 | 118.1 | ||||
| 819 | L | 30 | Very low | 34 | Very low | 140 Ų | 140 | 136 Ų | 136 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | cis | 178.8 | 149.8 | 48.4 | -173.4 | 61.7 | 0 | 0 | 0 | 111.8 | ||||
| 820 | F | 30.7 | Very low | 33.7 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | trans | 60.7 | 165.4 | 160 | -90 | -140.9 | 0 | 0 | 0 | 118.9 | ||||
| 821 | D | 28.5 | Very low | 33.4 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | cis | -178.1 | 176.4 | -34.8 | -174.2 | 23.2 | 0 | 0 | 0 | 107.4 | ||||
| 822 | Q | 32.3 | Very low | 33.1 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | trans | 76.7 | 96.2 | 161.9 | -75.8 | 144.8 | 59.7 | 0 | 0 | 119.2 | ||||
| 823 | Q | 33.7 | Very low | 32.7 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -60.6 | -174.7 | 137.8 | -122.7 | -150.3 | -15.5 | 0 | 0 | 111 | ||||
| 824 | P | 37.1 | Very low | 32.7 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 62% | 0.623 | 74% | 0.744 | S | S | * | * | cis | -143.1 | -172 | 23.7 | 43.9 | -23.5 | 0 | 0 | 0 | 116.7 | ||||
| 825 | S | 30.8 | Very low | 32.4 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | trans | 58.4 | 162.4 | 143.7 | -67.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 826 | D | 29.6 | Very low | 32.3 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | cis | -168.1 | 158.8 | -32 | -99.7 | -51.3 | 0 | 0 | 0 | 106.4 | ||||
| 827 | Y | 30.9 | Very low | 32.3 | Very low | 232 Ų | 232 | 144.7 Ų | 144.7 | 91% | 0.91 | 75% | 0.746 | S | S | * | * | trans | 170.1 | 160.2 | 131.9 | -109.6 | -91.1 | 0 | 0 | 0 | 113.7 | ||||
| 828 | I | 33.5 | Very low | 32.7 | Very low | 143 Ų | 143 | 144 Ų | 144 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | -122 | 156.4 | -171.3 | -67.5 | 163.9 | 0 | 0 | 0 | 109.9 | ||||
| 829 | V | 35.8 | Very low | 33 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | trans | -164.8 | 142 | 138.6 | 133.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 830 | N | 31.1 | Very low | 33.2 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -81.5 | 167.7 | -179.2 | -85.4 | -42.4 | 0 | 0 | 0 | 115.3 | ||||
| 831 | S | 33.3 | Very low | 33.3 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | 154.1 | 156.4 | 124.9 | -74 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 832 | R | 32.3 | Very low | 33.4 | Very low | 218 Ų | 218 | 142.8 Ų | 142.8 | 82% | 0.823 | 76% | 0.758 | S | S | * | * | cis | -179.6 | 146.4 | -23.2 | -172.7 | -160.7 | -178.5 | -167.3 | 0.7 | 110.4 | ||||
| 833 | S | 32.3 | Very low | 33.4 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | trans | 65.2 | 155.5 | 158.3 | 33.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 834 | Q | 35.2 | Very low | 33.3 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | cis | -164 | -175 | -2.5 | -117.7 | 164.6 | -46.6 | 0 | 0 | 108.5 | ||||
| 835 | S | 32.4 | Very low | 32.9 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | cis | -167.8 | 170.2 | -0.5 | 39.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 836 | Y | 31.7 | Very low | 32.8 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 0.4 | 144.5 | 156.3 | -70.6 | -92.6 | 0 | 0 | 0 | 121.5 | ||||
| 837 | N | 34.6 | Very low | 33 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | -161.4 | 162.5 | 52.3 | -119.3 | -21.9 | 0 | 0 | 0 | 114.4 | |||||
| 838 | P | 42.1 | Very low | 33.3 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 63% | 0.63 | 79% | 0.786 | S | S | * | * | trans | -112.7 | 164 | -179.3 | 40.7 | -32.3 | 0 | 0 | 0 | 115.5 | ||||
| 839 | N | 35.4 | Very low | 33.1 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -170.3 | 146.4 | 136.4 | -106.3 | -41.3 | 0 | 0 | 0 | 115.9 | ||||
| 840 | L | 33.9 | Very low | 33.2 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | -61.6 | 147.4 | -170.3 | -68.2 | 143 | 0 | 0 | 0 | 118.2 | ||||
| 841 | S | 32.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | -163.3 | 159.7 | 110.4 | 49.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 842 | V | 30.2 | Very low | 33.3 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -137.1 | 140.9 | -163.3 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | T844 | V842-T844 HydrophobicContact CG1-CG2 4.13Š| ||
| 843 | S | 32.7 | Very low | 33.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -145.8 | 131.1 | 148.6 | -79.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 844 | T | 30.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -95.6 | 174.5 | 176.7 | 59.2 | 0 | 0 | 0 | 0 | 109.5 | V842 | V842-T844 HydrophobicContact CG1-CG2 4.13Š| ||
| 845 | S | 28.7 | Very low | 33.8 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | cis | -159.9 | 152.7 | 19.4 | -29 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 846 | E | 30.4 | Very low | 34.2 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | 171.3 | 112.5 | 143.6 | -103.2 | 179.2 | -174.1 | 0 | 0 | 112.4 | ||||
| 847 | R | 32.4 | Very low | 34.7 | Very low | 243 Ų | 243 | 142.7 Ų | 142.7 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -176 | 125.7 | 143 | -113.2 | -179.2 | -178.8 | -155.8 | -1.7 | 111.9 | ||||
| 848 | T | 38.1 | Very low | 35.1 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | -96.9 | 150 | 162.6 | 43.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 849 | N | 29.5 | Very low | 35.2 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -85.4 | 136.1 | -173 | -74.3 | -64 | 0 | 0 | 0 | 112.8 | ||||
| 850 | V | 36.5 | Very low | 35.5 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -132.1 | 131.4 | 153.1 | -80.5 | 0 | 0 | 0 | 0 | 108.5 | T852 | V850-T852 PolarHBondContact O-N 3.4Š| ||
| 851 | A | 32 | Very low | 35.7 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -83.6 | 110 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V853 | A851-V853 PolarHBondContact O-N 2.66Š| ||
| 852 | T | 35 | Very low | 35.7 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -72.8 | 95.6 | 171.1 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | V850 F854 | V850-T852 PolarHBondContact O-N 3.4Å; T852-F854 HydrophobicContact CG2-CD2 4.33Å; T852-F854 HydrophobicContact CG2-CE2 4.44Å; T852-F854 PolarHBondContact O-N 2.92Å; T852-F854 VanDerWaalsContact O-N 3.15Å | ||
| 853 | V | 38.1 | Very low | 36.2 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -72.3 | 104.1 | 168.2 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | A851 R855 | A851-V853 PolarHBondContact O-N 2.66Å; V853-R855 PolarHBondContact O-N 2.95Å | ||
| 854 | F | 32.4 | Very low | 36.3 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60 | 122.5 | 171.8 | -94.4 | -102.9 | 0 | 0 | 0 | 110.6 | T852 | T852-F854 HydrophobicContact CG2-CD2 4.33Å; T852-F854 HydrophobicContact CG2-CE2 4.44Å; T852-F854 PolarHBondContact O-N 2.92Å; T852-F854 VanDerWaalsContact O-N 3.15Å |
| 855 | R | 39.8 | Very low | 36.8 | Very low | 227 Ų | 227 | 150 Ų | 150 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 140.9 | 158.6 | -100.8 | -174 | 170.1 | -174 | -2.6 | 109.2 | V853 | V853-R855 PolarHBondContact O-N 2.95Š|
| 856 | P | 41.6 | Very low | 37.2 | Very low | 104 Ų | 104 | 154 Ų | 154 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 154.1 | 178.5 | 30.3 | -35.4 | 0 | 0 | 0 | 111.5 | I858 | P856-I858 PolarHBondContact O-N 3.19Š|
| 857 | P | 41.3 | Very low | 37.3 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 128.2 | 174.3 | 28.8 | -33.9 | 0 | 0 | 0 | 110.4 | ||
| 858 | I | 44.3 | Very low | 38 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 120.1 | 171 | -61.8 | 176.1 | 0 | 0 | 0 | 107.6 | P856 | P856-I858 PolarHBondContact O-N 3.19Š|
| 859 | T | 42.5 | Very low | 38.3 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 64% | 0.644 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 144.2 | 176.6 | 43 | 0 | 0 | 0 | 0 | 111.4 | ||
| 860 | P | 42.3 | Very low | 39.1 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 131.1 | 170.5 | 29.7 | -33 | 0 | 0 | 0 | 110 | T862 | P860-T862 PolarHBondContact O-N 3.22Å; P860-T862 VanDerWaalsContact O-N 3.16Å |
| 861 | F | 37.4 | Very low | 39.5 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -77.2 | 94.9 | 168.3 | -82.6 | -90.7 | 0 | 0 | 0 | 109.7 | L863 | F861-L863 PolarHBondContact O-N 3.25Š| ||
| 862 | T | 34.4 | Very low | 40 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | trans | -79 | 113.2 | 164.2 | -44.8 | 0 | 0 | 0 | 0 | 108.6 | P860 E864 | P860-T862 PolarHBondContact O-N 3.22Å; P860-T862 VanDerWaalsContact O-N 3.16Å; T862-E864 HydrophobicContact CG2-CG 3.61Å; T862-E864 PolarHBondContact O-N 2.93Å | ||
| 863 | L | 40.8 | Very low | 40.3 | Very low | 160 Ų | 160 | 150 Ų | 150 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -89.6 | 87.4 | 164.2 | -72.2 | 172 | 0 | 0 | 0 | 108 | F861 | F861-L863 PolarHBondContact O-N 3.25Š| ||
| 864 | E | 33.5 | Very low | 40.6 | Very low | 175 Ų | 175 | 151 Ų | 151 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 122.2 | 161 | -59.4 | -162.5 | 120.4 | 0 | 0 | 107.3 | T862 | T862-E864 HydrophobicContact CG2-CG 3.61Å; T862-E864 PolarHBondContact O-N 2.93Å |
| 865 | L | 41.3 | Very low | 41.1 | Very low | 164 Ų | 164 | 147 Ų | 147 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81 | 126.7 | 174.7 | -77.5 | 161.3 | 0 | 0 | 0 | 108.2 | S867 | L865-S867 PolarHBondContact O-N 3.42Š|
| 866 | E | 36.7 | Very low | 40.8 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 122.9 | 175 | -69.7 | 162.1 | 126.1 | 0 | 0 | 109.6 | ||
| 867 | S | 34 | Very low | 40.9 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -100.3 | 84.8 | 176.5 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | L865 | L865-S867 PolarHBondContact O-N 3.42Š| ||
| 868 | E | 47.4 | Very low | 40.8 | Very low | 190 Ų | 190 | 149 Ų | 149 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -84.5 | 112.7 | 168.1 | -62.9 | -176.7 | 116.8 | 0 | 0 | 108.8 | ||||
| 869 | D | 42.6 | Very low | 40.6 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -135.3 | 87.8 | -178.7 | -163.7 | -16.9 | 0 | 0 | 0 | 108.1 | ||||
| 870 | D | 47.9 | Very low | 40.6 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | -154.2 | 134.5 | -173.9 | -125.2 | -34.6 | 0 | 0 | 0 | 112.2 | ||||
| 871 | G | 44.8 | Very low | 40.5 | Very low | 69 Ų | 69 | 149.4 Ų | 149.4 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | 82 | 92.8 | 154 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 872 | D | 42.3 | Very low | 41 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -47.3 | 140.1 | 161.7 | -63.7 | -88.4 | 0 | 0 | 0 | 114.2 | ||||
| 873 | N | 40.1 | Very low | 41.4 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | 179.4 | 120 | 118.5 | -100.3 | -77.6 | 0 | 0 | 0 | 114.1 | |||||
| 874 | L | 46.1 | Very low | 41.3 | Very low | 151 Ų | 151 | 146 Ų | 146 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | trans | 13.8 | 155.4 | 142.6 | -64.4 | 170.5 | 0 | 0 | 0 | 122.6 | ||||
| 875 | P | 43 | Very low | 41.9 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 69% | 0.688 | 83% | 0.831 | S | S | * | * | cis | -138.1 | 134.6 | -2.7 | 34.1 | -12.6 | 0 | 0 | 0 | 117.6 | ||||
| 876 | R | 33 | Very low | 42 | Very low | 245 Ų | 245 | 142 Ų | 142 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | 15.9 | 102.3 | 135.9 | -171.7 | -171 | -173.8 | -166 | 3.2 | 119.1 | ||||
| 877 | L | 43.5 | Very low | 42.3 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -143.6 | 148.9 | 156.3 | -79.5 | -179.6 | 0 | 0 | 0 | 112.3 | ||||
| 878 | G | 38.6 | Very low | 42.5 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 78.4 | 77.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 879 | T | 39.8 | Very low | 42.2 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 93% | 0.933 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 121.9 | 160 | 50 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 880 | S | 42.2 | Very low | 42.2 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -144.5 | 141.6 | 167.7 | -165.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 881 | P | 42 | Very low | 41.9 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -116.8 | 138.6 | -157.3 | 32.1 | -15.6 | 0 | 0 | 0 | 115.7 | ||||
| 882 | G | 47.6 | Very low | 41.7 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 145.6 | 166.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 883 | P | 42 | Very low | 41.5 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | cis | -100 | 156 | -8.3 | 36.8 | -29.8 | 0 | 0 | 0 | 112.7 | ||
| 884 | Q | 38.7 | Very low | 41.9 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 138.8 | 172.7 | -74.7 | 176.2 | -34.8 | 0 | 0 | 111.6 | ||
| 885 | I | 47.2 | Very low | 41.5 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 122 | 169.9 | -58.1 | 171.9 | 0 | 0 | 0 | 108.1 | ||
| 886 | P | 43.5 | Very low | 41.5 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 62% | 0.617 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 136 | 173.7 | 29.8 | -33.2 | 0 | 0 | 0 | 110.9 | S888 | P886-S888 PolarHBondContact O-N 2.96Š|
| 887 | P | 41.8 | Very low | 41.9 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -80 | 85.8 | 177.8 | 32 | -34.1 | 0 | 0 | 0 | 111 | S889 | P887-S889 PolarHBondContact O-N 2.86Š| ||
| 888 | S | 39.1 | Very low | 42.2 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -73.2 | 110.2 | 179.4 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | P886 | P886-S888 PolarHBondContact O-N 2.96Š| ||
| 889 | S | 39.4 | Very low | 42.6 | Very low | 89 Ų | 89 | 133.1 Ų | 133.1 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | trans | -61 | 139.8 | 168.5 | 48 | 0 | 0 | 0 | 0 | 112 | P887 T891 | P887-S889 PolarHBondContact O-N 2.86Å; S889-T891 VanDerWaalsContact C-N 3.27Å; S889-T891 PolarHBondContact O-N 3.49Å | ||
| 890 | P | 42.7 | Very low | 43 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -79.6 | 70.6 | 178.4 | 33.7 | -35.8 | 0 | 0 | 0 | 112 | ||
| 891 | T | 43.3 | Very low | 43.4 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | trans | -137.6 | 146.1 | 169.4 | -46.4 | 0 | 0 | 0 | 0 | 107.9 | S889 | S889-T891 VanDerWaalsContact C-N 3.27Å; S889-T891 PolarHBondContact O-N 3.49Å | ||
| 892 | E | 39.6 | Very low | 44 | Very low | 178 Ų | 178 | 126 Ų | 126 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | 63.8 | 67.7 | -177.6 | -53.3 | -163.6 | 169.1 | 0 | 0 | 117 | ||||
| 893 | F | 38.1 | Very low | 44.4 | Very low | 198 Ų | 198 | 129.1 Ų | 129.1 | 87% | 0.868 | 71% | 0.708 | S | S | * | * | trans | -133.7 | 68.7 | 155.1 | -92.4 | -74.3 | 0 | 0 | 0 | 112.4 | ||||
| 894 | L | 48.3 | Very low | 45 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 85% | 0.853 | 69% | 0.69 | S | S | * | * | trans | -133.2 | 148.3 | 161.4 | -66.7 | 175.5 | 0 | 0 | 0 | 107.4 | ||||
| 895 | P | 38.5 | Very low | 45.9 | Very low | 80 Ų | 80 | 119.3 Ų | 119.3 | 52% | 0.519 | 67% | 0.667 | S | S | . | * | cis | -133.4 | 74 | -0.2 | 38 | -17.6 | 0 | 0 | 0 | 112.3 | Y897 S898 | P895-Y897 PolarHBondContact O-N 2.68Å; P895-S898 PolarHBondContact O-N 2.69Å | ||
| 896 | F | 42 | Very low | 46.4 | Very low | 176 Ų | 176 | 117.5 Ų | 117.5 | 77% | 0.772 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 7.1 | -168.6 | -115.3 | -78.2 | 0 | 0 | 0 | 117.6 | ||
| 897 | Y | 42.3 | Very low | 47.1 | Very low | 222 Ų | 222 | 115.5 Ų | 115.5 | 87% | 0.871 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -4.6 | 168.2 | -87.5 | -83.8 | 0 | 0 | 0 | 113.9 | P895 | P895-Y897 PolarHBondContact O-N 2.68Š|
| 898 | S | 49.6 | Very low | 47.9 | Very low | 63 Ų | 63 | 115.7 Ų | 115.7 | 44% | 0.441 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -87.7 | -28.5 | -179.4 | -59.3 | 0 | 0 | 0 | 0 | 113.7 | P895 N902 | P895-S898 PolarHBondContact O-N 2.69Å; S898-N902 PolarHBondContact O-N 3.24Å |
| 899 | E | 46.6 | Very low | 48.8 | Very low | 101 Ų | 101 | 116.8 Ų | 116.8 | 47% | 0.472 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -73.7 | -38.4 | -174.8 | -157.1 | -167.5 | 139.2 | 0 | 0 | 112.7 | A901 N902 K903 | E899-A901 VanDerWaalsContact C-N 3.32Å; E899-A901 PolarHBondContact O-N 3.2Å; E899-N902 PolarHBondContact O-N 2.86Å; E899-K903 WeakPolarHBondContact O-CB 3.45Å; E899-K903 PolarHBondContact O-N 3.04Å; E899-K903 IonicContact OE1-NZ 3.06Å; E899-K903 PolarHBondContact OE1-NZ 2.89Å |
| 900 | A | 48.1 | Very low | 49.5 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 62% | 0.62 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.8 | -37.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S904 | A900-S904 PolarHBondContact O-N 3.48Å; A900-S904 PolarHBondContact O-OG 3.5Å |
| 901 | A | 51.7 | Low | 50.2 | Low | 59 Ų | 59 | 122.2 Ų | 122.2 | 49% | 0.488 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.3 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E899 S904 A905 | E899-A901 VanDerWaalsContact C-N 3.32Å; E899-A901 PolarHBondContact O-N 3.2Å; A901-S904 PolarHBondContact O-OG 2.93Å; A901-A905 WeakPolarHBondContact O-CB 3.4Å; A901-A905 PolarHBondContact O-N 2.96Å; A901-A905 VanDerWaalsContact O-N 3.1Å |
| 902 | N | 54.5 | Low | 50.6 | Low | 111 Ų | 111 | 125.9 Ų | 125.9 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.6 | -31.2 | 175 | -81.6 | -14.1 | 0 | 0 | 0 | 112.6 | S898 E899 Q906 | S898-N902 PolarHBondContact O-N 3.24Å; E899-N902 PolarHBondContact O-N 2.86Å; N902-Q906 WeakPolarHBondContact O-CB 3.42Å; N902-Q906 PolarHBondContact O-N 3.42Å |
| 903 | K | 54.6 | Low | 51.1 | Low | 135 Ų | 135 | 125.4 Ų | 125.4 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.3 | -38.3 | 177.3 | -126.8 | 162.4 | -168.6 | 149.4 | 0 | 112.3 | E899 A907 | E899-K903 WeakPolarHBondContact O-CB 3.45Å; E899-K903 PolarHBondContact O-N 3.04Å; E899-K903 IonicContact OE1-NZ 3.06Å; E899-K903 PolarHBondContact OE1-NZ 2.89Å; K903-A907 VanDerWaalsContact O-CB 3.27Å; K903-A907 WeakPolarHBondContact O-CB 3.39Å; K903-A907 PolarHBondContact O-N 2.95Å |
| 904 | S | 55.9 | Low | 51.4 | Low | 65 Ų | 65 | 125.1 Ų | 125.1 | 46% | 0.455 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.8 | -42.4 | 173.1 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | A900 A901 Q906 A907 Q908 | A900-S904 PolarHBondContact O-N 3.48Å; A900-S904 PolarHBondContact O-OG 3.5Å; A901-S904 PolarHBondContact O-OG 2.93Å; S904-Q906 PolarHBondContact O-N 2.61Å; S904-A907 PolarHBondContact O-N 2.74Å; S904-Q908 WeakPolarHBondContact O-CG 3.43Å; S904-Q908 PolarHBondContact O-N 3.23Å |
| 905 | A | 56.2 | Low | 51 | Low | 50 Ų | 50 | 123.3 Ų | 123.3 | 41% | 0.413 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A901 Q908 L909 | A901-A905 WeakPolarHBondContact O-CB 3.4Å; A901-A905 PolarHBondContact O-N 2.96Å; A901-A905 VanDerWaalsContact O-N 3.1Å; A905-Q908 PolarHBondContact O-N 3.09Å; A905-L909 PolarHBondContact O-N 2.99Å |
| 906 | Q | 58.4 | Low | 51 | Low | 122 Ų | 122 | 127.9 Ų | 127.9 | 57% | 0.57 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.7 | -28.5 | -179.8 | -164.7 | 176.5 | 95.5 | 0 | 0 | 112.8 | N902 S904 R910 | N902-Q906 WeakPolarHBondContact O-CB 3.42Å; N902-Q906 PolarHBondContact O-N 3.42Å; S904-Q906 PolarHBondContact O-N 2.61Å; Q906-R910 PolarHBondContact O-N 3.4Å |
| 907 | A | 58.5 | Low | 50.7 | Low | 53 Ų | 53 | 126.3 Ų | 126.3 | 44% | 0.438 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.5 | -44.7 | 169 | 0 | 0 | 0 | 0 | 0 | 111.7 | K903 S904 L909 R910 Q911 | K903-A907 VanDerWaalsContact O-CB 3.27Å; K903-A907 WeakPolarHBondContact O-CB 3.39Å; K903-A907 PolarHBondContact O-N 2.95Å; S904-A907 PolarHBondContact O-N 2.74Å; A907-L909 VanDerWaalsContact C-N 3.33Å; A907-L909 PolarHBondContact O-N 3.46Å; A907-R910 PolarHBondContact O-N 2.97Å; A907-Q911 PolarHBondContact O-N 2.94Å |
| 908 | Q | 58.9 | Low | 50.5 | Low | 137 Ų | 137 | 121.8 Ų | 121.8 | 64% | 0.64 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.8 | -34.6 | 175.3 | -70.5 | -177.8 | 5.2 | 0 | 0 | 112.4 | S904 A905 K912 | S904-Q908 WeakPolarHBondContact O-CG 3.43Å; S904-Q908 PolarHBondContact O-N 3.23Å; A905-Q908 PolarHBondContact O-N 3.09Å; Q908-K912 PolarHBondContact O-N 3.1Å |
| 909 | L | 58.5 | Low | 49.9 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 67% | 0.67 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.5 | -41 | 173.2 | -134.4 | 80.4 | 0 | 0 | 0 | 111.9 | A905 A907 K912 H913 | A905-L909 PolarHBondContact O-N 2.99Å; A907-L909 VanDerWaalsContact C-N 3.33Å; A907-L909 PolarHBondContact O-N 3.46Å; L909-K912 PolarHBondContact O-N 2.72Å; L909-H913 PolarHBondContact O-N 3.35Å |
| 910 | R | 53.9 | Low | 49.1 | Very low | 189 Ų | 189 | 131 Ų | 131 | 71% | 0.713 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66 | -38.1 | 175.4 | -90.6 | -172.8 | 153 | 127.8 | -2.4 | 113 | Q906 A907 K912 H913 | Q906-R910 PolarHBondContact O-N 3.4Å; A907-R910 PolarHBondContact O-N 2.97Å; R910-K912 PolarHBondContact O-N 3.29Å; R910-H913 PolarHBondContact O-N 2.79Å; R910-H913 VanDerWaalsContact O-N 3.13Å |
| 911 | Q | 56.5 | Low | 48.7 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -67 | -19.6 | 173.9 | -75.7 | -175.6 | -25.3 | 0 | 0 | 113.7 | A907 | A907-Q911 PolarHBondContact O-N 2.94Å |
| 912 | K | 51.7 | Low | 48 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 80% | 0.8 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -3.9 | 171.9 | -83.9 | -174.8 | 173.1 | 177.9 | 0 | 114.9 | Q908 L909 R910 | Q908-K912 PolarHBondContact O-N 3.1Å; L909-K912 PolarHBondContact O-N 2.72Å; R910-K912 PolarHBondContact O-N 3.29Å |
| 913 | H | 50.1 | Low | 47.1 | Very low | 168 Ų | 168 | 141 Ų | 141 | 78% | 0.778 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -123.8 | 22.4 | -175.2 | -149.9 | -58.9 | 0 | 0 | 0 | 113.3 | L909 R910 | L909-H913 PolarHBondContact O-N 3.35Å; R910-H913 PolarHBondContact O-N 2.79Å; R910-H913 VanDerWaalsContact O-N 3.13Å |
| 914 | F | 43.6 | Very low | 46.3 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -131.3 | 22.9 | 176.7 | -149.7 | -98.5 | 0 | 0 | 0 | 113 | ||
| 915 | T | 41.3 | Very low | 45.7 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -125.1 | 36.8 | -178.4 | -36.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 916 | E | 39 | Very low | 44.8 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -151.2 | 157 | 168.1 | -142.8 | 172.2 | 138.8 | 0 | 0 | 109.9 | ||||
| 917 | L | 35.2 | Very low | 44.1 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | trans | 74.6 | 80.4 | 175.6 | -51.3 | -179.4 | 0 | 0 | 0 | 119.3 | ||||
| 918 | T | 37.3 | Very low | 43.3 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 70.5 | 165.3 | 133.6 | 32.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 919 | P | 37.5 | Very low | 42.6 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | cis | -122.7 | 167.1 | 15.9 | 40 | -24.1 | 0 | 0 | 0 | 118.8 | ||||
| 920 | R | 30.4 | Very low | 41.7 | Very low | 232 Ų | 232 | 151.9 Ų | 151.9 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | trans | -68.1 | 152.1 | 172.2 | -56.7 | 164.4 | 164.6 | 172.5 | -7.6 | 112.5 | ||||
| 921 | I | 38.7 | Very low | 41 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | trans | -154.1 | 117.3 | 130.5 | -60.2 | -166.7 | 0 | 0 | 0 | 110.2 | ||||
| 922 | H | 37.9 | Very low | 40.3 | Very low | 164 Ų | 164 | 145 Ų | 145 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 59.7 | 155.6 | 158.4 | -68.5 | 39.8 | 0 | 0 | 0 | 118.3 | ||||
| 923 | N | 35.7 | Very low | 39.4 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | cis | -142 | 158.7 | 1.7 | -118.2 | -11.7 | 0 | 0 | 0 | 111.7 | ||||
| 924 | T | 36.6 | Very low | 39 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | -94 | -174.9 | 175.2 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 925 | P | 44.1 | Very low | 38.8 | Very low | 103 Ų | 103 | 138 Ų | 138 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | cis | -120.8 | -150.1 | -0.2 | 39.3 | -18.8 | 0 | 0 | 0 | 111.8 | ||||
| 926 | D | 36.8 | Very low | 38.5 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | cis | -163.4 | 165 | 8 | -128.1 | -42.6 | 0 | 0 | 0 | 107 | ||||
| 927 | S | 43.3 | Very low | 38.3 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 56% | 0.559 | 75% | 0.749 | S | S | * | * | cis | -152 | -176 | 1.1 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 928 | D | 43.5 | Very low | 38.1 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 39.7 | 138.4 | 137 | -61 | -7.2 | 0 | 0 | 0 | 122.2 | ||||
| 929 | D | 42.2 | Very low | 38.2 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 55% | 0.551 | 76% | 0.756 | S | S | * | * | cis | -160.4 | 164.7 | 3 | -147.3 | -21 | 0 | 0 | 0 | 113 | ||||
| 930 | R | 40.9 | Very low | 37.8 | Very low | 221 Ų | 221 | 134.2 Ų | 134.2 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | 24.8 | 139.2 | 159.1 | -80.4 | 156.5 | -110.3 | -172.5 | 3.2 | 122 | ||||
| 931 | G | 38.4 | Very low | 37.8 | Very low | 60 Ų | 60 | 130.8 Ų | 130.8 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | cis | 160.3 | 176.8 | -1.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 932 | T | 41.6 | Very low | 37.4 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | 60.6 | 126.6 | 171.9 | 56.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 933 | N | 33.9 | Very low | 37.1 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | cis | 95.5 | 149 | 36.1 | -78.3 | -0.9 | 0 | 0 | 0 | 115 | ||||
| 934 | S | 40.9 | Very low | 37 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 69.5 | 145.6 | 175.6 | 69.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 935 | D | 39.4 | Very low | 36.5 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | cis | -156.1 | 158.3 | -14.4 | -117.1 | -37.5 | 0 | 0 | 0 | 115 | ||||
| 936 | N | 34.9 | Very low | 35.9 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | 7.2 | 149.9 | 156.8 | -74.5 | -66 | 0 | 0 | 0 | 125.3 | ||||
| 937 | S | 36 | Very low | 35.5 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 93.8 | 139.9 | 142.4 | 77.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 938 | S | 30.5 | Very low | 34.9 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -96.9 | 161.9 | 177.4 | -41.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 939 | P | 39.5 | Very low | 34.3 | Very low | 133 Ų | 133 | 139 Ų | 139 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | -135.7 | -177.9 | 124.8 | 38.5 | -28.7 | 0 | 0 | 0 | 113.6 | |||||
| 940 | C | 29.7 | Very low | 33.7 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | -107.2 | 167.1 | -173 | -163.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 941 | M | 30 | Very low | 33.5 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | trans | 87.3 | 128.6 | 163.1 | -61.7 | -65.2 | -97.1 | 0 | 0 | 120.4 | ||||
| 942 | T | 30.6 | Very low | 33.1 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 87.4 | 138.5 | 150.3 | 1.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 943 | L | 30.4 | Very low | 32.6 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | 79.9 | 121.1 | 155.6 | -64.1 | 179.3 | 0 | 0 | 0 | 121.1 | ||||
| 944 | V | 33.3 | Very low | 32.5 | Very low | 113 Ų | 113 | 144 Ų | 144 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 82.8 | 103.8 | 132.6 | 175.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 945 | N | 27.5 | Very low | 31.8 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | 69.1 | 159.3 | 143.3 | -67.6 | -10.4 | 0 | 0 | 0 | 121.5 | ||||
| 946 | R | 31.6 | Very low | 31.4 | Very low | 227 Ų | 227 | 144.1 Ų | 144.1 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | trans | 84.4 | 78.6 | 151.7 | -148.3 | 169 | -152.8 | 149.9 | 6.8 | 118.7 | ||||
| 947 | E | 27.3 | Very low | 31.2 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | 32.4 | 96.3 | 108.7 | -169.5 | -154.5 | 143 | 0 | 0 | 117 | |||||
| 948 | R | 30.3 | Very low | 31 | Very low | 221 Ų | 221 | 147.7 Ų | 147.7 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | -168.2 | 137.9 | 124.2 | -95.7 | 163.5 | 176.1 | -134.4 | -4.8 | 107 | |||||
| 949 | S | 30.7 | Very low | 31.1 | Very low | 74 Ų | 74 | 147.1 Ų | 147.1 | 52% | 0.517 | 75% | 0.754 | S | S | . | * | cis | 79.4 | 83.6 | 43.2 | -51.2 | 0 | 0 | 0 | 0 | 113.6 | I951 | S949-I951 WeakPolarHBondContact O-CD1 3.38Š| ||
| 950 | D | 30.8 | Very low | 30.7 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | -118 | 108 | 144.9 | -80.3 | -52.1 | 0 | 0 | 0 | 106.6 | ||||
| 951 | I | 37.3 | Very low | 30.9 | Very low | 104 Ų | 104 | 150 Ų | 150 | 53% | 0.533 | 75% | 0.754 | S | S | . | * | cis | 65.2 | 96.4 | 43 | -48.5 | 177.6 | 0 | 0 | 0 | 111.9 | S949 N953 | S949-I951 WeakPolarHBondContact O-CD1 3.38Å; I951-N953 HydrophobicContact CG2-CB 3.98Å; I951-N953 WeakPolarHBondContact CG2-ND2 3.38Å | ||
| 952 | R | 29.2 | Very low | 30.8 | Very low | 249 Ų | 249 | 151.7 Ų | 151.7 | 94% | 0.94 | 76% | 0.757 | S | S | * | * | trans | -113.8 | 80.7 | 139.4 | -168 | 175 | -64.9 | -172.4 | 1.4 | 109.2 | ||||
| 953 | N | 31.9 | Very low | 30.9 | Very low | 111 Ų | 111 | 150 Ų | 150 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | trans | -52.8 | 149 | 156.6 | -72.7 | -21.5 | 0 | 0 | 0 | 109 | I951 | I951-N953 HydrophobicContact CG2-CB 3.98Å; I951-N953 WeakPolarHBondContact CG2-ND2 3.38Å | ||
| 954 | N | 29.8 | Very low | 31.1 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -121.1 | 53.3 | 151.8 | -165.1 | 35.6 | 0 | 0 | 0 | 110.4 | H956 | N954-H956 VanDerWaalsContact C-N 3.35Å; N954-H956 PolarHBondContact O-N 2.66Å | ||
| 955 | C | 28.3 | Very low | 30.9 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | trans | -82.6 | 83.5 | 165.7 | -58.4 | 0 | 0 | 0 | 0 | 107.8 | I957 | C955-I957 PolarHBondContact O-N 3.45Å; C955-I957 VanDerWaalsContact O-N 3.14Å | ||
| 956 | H | 29.7 | Very low | 31.2 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | trans | -87 | 78.5 | 178.3 | -164.4 | 58.9 | 0 | 0 | 0 | 111 | N954 | N954-H956 VanDerWaalsContact C-N 3.35Å; N954-H956 PolarHBondContact O-N 2.66Å | ||
| 957 | I | 31 | Very low | 31 | Very low | 152 Ų | 152 | 143 Ų | 143 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 129.5 | 156 | -66.4 | 175.7 | 0 | 0 | 0 | 106.5 | C955 | C955-I957 PolarHBondContact O-N 3.45Å; C955-I957 VanDerWaalsContact O-N 3.14Å |
| 958 | K | 31.6 | Very low | 31.3 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 143.7 | 174.5 | -79.4 | -172.8 | 173.4 | -175.8 | 0 | 110.3 | ||
| 959 | S | 32 | Very low | 31.1 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 146.5 | -177.6 | -45.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 960 | N | 31.2 | Very low | 31.5 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 134.2 | 150.3 | -81.1 | -0.8 | 0 | 0 | 0 | 108.6 | ||
| 961 | D | 33.7 | Very low | 31.4 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 135 | 151.1 | -67.1 | -59 | 0 | 0 | 0 | 108.3 | ||
| 962 | F | 28.4 | Very low | 31.2 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | -129 | 101.3 | 173.4 | -157.8 | -82.7 | 0 | 0 | 0 | 111.1 | ||||
| 963 | A | 33.8 | Very low | 31.5 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | trans | -148.7 | 133.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 964 | T | 33.7 | Very low | 31.7 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | cis | -147.2 | 169.2 | 13.1 | -56.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 965 | T | 29.4 | Very low | 32 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -34.1 | 154.4 | 154 | -3.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 966 | S | 32.9 | Very low | 32.4 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | cis | -169.1 | 151.3 | 30.6 | 55 | 0 | 0 | 0 | 0 | 116 | ||||
| 967 | M | 28.6 | Very low | 32.5 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 80% | 0.803 | 75% | 0.747 | S | S | * | * | trans | 51.3 | 142.5 | 134 | -65.3 | -63.3 | 170.3 | 0 | 0 | 124.3 | ||||
| 968 | T | 34 | Very low | 32.7 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | trans | 65.9 | 103.8 | 149.4 | 47.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 969 | N | 26.1 | Very low | 32.5 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | 33.6 | 154.2 | 105.3 | -91.8 | 11.1 | 0 | 0 | 0 | 121.1 | |||||
| 970 | P | 39 | Very low | 33 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | cis | -143.2 | -154.1 | -37.2 | 34.7 | -11.4 | 0 | 0 | 0 | 112.9 | ||||
| 971 | V | 28.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 92.9 | 102.6 | 158.4 | -167.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 972 | S | 32.1 | Very low | 32.4 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | 62.3 | 161.9 | 143.7 | -51.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 973 | H | 35.1 | Very low | 32.5 | Very low | 165 Ų | 165 | 121.4 Ų | 121.4 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | cis | -148.6 | 143.2 | 16 | -122.5 | -67.4 | 0 | 0 | 0 | 111.3 | ||||
| 974 | S | 36.8 | Very low | 32.4 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | trans | 43.5 | 144.8 | 148.7 | 55.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 975 | D | 36 | Very low | 32.2 | Very low | 143 Ų | 143 | 121.8 Ų | 121.8 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | cis | -172.6 | 176.7 | -13.2 | -93.4 | -46.5 | 0 | 0 | 0 | 105.3 | ||||
| 976 | E | 36.1 | Very low | 32.3 | Very low | 162 Ų | 162 | 122.8 Ų | 122.8 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | cis | -113.3 | -176.7 | 9.3 | -76.5 | -166.9 | 75 | 0 | 0 | 112 | ||||
| 977 | V | 32.4 | Very low | 32.4 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 65% | 0.648 | 72% | 0.724 | S | S | * | * | cis | 64.2 | 127.3 | 43 | -133.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 978 | L | 34 | Very low | 32.5 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | cis | -114.5 | 167.6 | 14.1 | -89.4 | 77.4 | 0 | 0 | 0 | 115.6 | ||||
| 979 | S | 28.9 | Very low | 32.4 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | trans | -131.4 | -144.1 | 158 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 980 | P | 41.7 | Very low | 32.7 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -116.3 | -172.7 | -135.8 | 34 | -12.8 | 0 | 0 | 0 | 116 | ||||
| 981 | C | 24.6 | Very low | 32.4 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | 82.2 | 158.4 | 163.7 | -60.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 982 | S | 27.4 | Very low | 32.5 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | 96 | 142 | 161.3 | -38 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 983 | S | 30.5 | Very low | 32.7 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | trans | 68.9 | 151.1 | 147.3 | -68.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 984 | D | 32.3 | Very low | 32.8 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | cis | -154.9 | 157.7 | -16.5 | -121.5 | -46.7 | 0 | 0 | 0 | 115.1 | ||||
| 985 | S | 29.8 | Very low | 32.8 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | trans | 27.3 | 132.4 | 144.5 | 80.5 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 986 | N | 31.3 | Very low | 33 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | 79.8 | 154 | 124.9 | -67.3 | -13.2 | 0 | 0 | 0 | 124.4 | |||||
| 987 | D | 34.2 | Very low | 33.2 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | trans | 77.3 | 119.8 | 161.1 | -68.5 | -40.1 | 0 | 0 | 0 | 118.1 | ||||
| 988 | R | 31 | Very low | 33.6 | Very low | 215 Ų | 215 | 126.4 Ų | 126.4 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | 69.9 | 136 | 67.3 | -70.3 | -171 | -171.2 | 151.8 | -7.8 | 111.3 | |||||
| 989 | T | 32.1 | Very low | 34 | Very low | 110 Ų | 110 | 124 Ų | 124 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | cis | -166.8 | 150.1 | 13.1 | 2.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 990 | L | 31.9 | Very low | 34.4 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | trans | 62 | 171.5 | 153.2 | -58.9 | 170 | 0 | 0 | 0 | 116 | ||||
| 991 | T | 33.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 125 Ų | 125 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | cis | -153 | 129.4 | -0.6 | -1.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 992 | I | 31.2 | Very low | 35.3 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | 74.7 | 144.6 | 95.7 | -68.2 | -175.8 | 0 | 0 | 0 | 115.8 | |||||
| 993 | L | 34.9 | Very low | 36.1 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | trans | 74.1 | 140.6 | 168.4 | -98 | 34.7 | 0 | 0 | 0 | 116.9 | ||||
| 994 | D | 38.3 | Very low | 36.7 | Very low | 113 Ų | 113 | 128 Ų | 128 | 60% | 0.604 | 71% | 0.706 | S | S | * | * | cis | -168.2 | 154.2 | -9.2 | -133.6 | 9.9 | 0 | 0 | 0 | 114.7 | ||||
| 995 | N | 36.9 | Very low | 37.5 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 65% | 0.647 | 71% | 0.707 | S | S | * | * | trans | 56.8 | 158 | 142.2 | -72.1 | -24.7 | 0 | 0 | 0 | 122.5 | ||||
| 996 | L | 39.5 | Very low | 38 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | cis | -162.8 | 147.9 | -6.8 | -119.7 | 166.1 | 0 | 0 | 0 | 112.5 | ||||
| 997 | G | 39.9 | Very low | 38.3 | Very low | 65 Ų | 65 | 127.2 Ų | 127.2 | 67% | 0.67 | 72% | 0.721 | S | S | * | * | trans | 70.9 | 170.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 998 | E | 40.9 | Very low | 38.3 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | cis | -178.4 | 161.2 | -17.8 | -94.8 | -127.7 | 110.7 | 0 | 0 | 107.8 | ||||
| 999 | V | 42.6 | Very low | 38.7 | Very low | 95 Ų | 95 | 124 Ų | 124 | 58% | 0.576 | 73% | 0.73 | S | S | * | * | cis | -171.6 | 169 | -21.7 | 66.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1000 | N | 37.2 | Very low | 39.1 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | trans | 73.1 | 135 | 170.8 | -67 | -35.6 | 0 | 0 | 0 | 118.9 | ||||
| 1001 | T | 43.9 | Very low | 39.2 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | cis | 100.8 | 152.7 | 20.4 | 68.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1002 | P | 40.9 | Very low | 39.4 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | cis | -131.3 | -129.4 | -27.9 | 35.1 | -10.7 | 0 | 0 | 0 | 114.3 | ||||
| 1003 | P | 45.8 | Very low | 39.6 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | -135.9 | -163.8 | -127.1 | 43.3 | -18.9 | 0 | 0 | 0 | 119.2 | |||||
| 1004 | M | 43 | Very low | 39.6 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -64.8 | 166.5 | -176.8 | -157.2 | -176.3 | 77.5 | 0 | 0 | 116.7 | ||||
| 1005 | P | 48.5 | Very low | 39.4 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | -148.5 | 179.7 | 113.8 | 42.3 | -27.1 | 0 | 0 | 0 | 117.3 | |||||
| 1006 | D | 39.3 | Very low | 39.3 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -66.3 | 166.2 | -165.1 | -43.9 | -75.1 | 0 | 0 | 0 | 119.7 | ||||
| 1007 | G | 39.1 | Very low | 39.3 | Very low | 78 Ų | 78 | 126.6 Ų | 126.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -174.5 | 134.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1008 | L | 33.4 | Very low | 39.2 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 94% | 0.937 | 79% | 0.789 | S | S | * | * | trans | -104.3 | 159.9 | -171.7 | -74.6 | 170.2 | 0 | 0 | 0 | 114.8 | ||||
| 1009 | A | 38.9 | Very low | 38.9 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | 100.8 | 145.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1010 | N | 40.3 | Very low | 39 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | 70.1 | 116.2 | 166.1 | -59.5 | -16.3 | 0 | 0 | 0 | 119 | ||||
| 1011 | A | 34.8 | Very low | 39.1 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -103 | 149 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1012 | P | 39 | Very low | 39.1 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 159.5 | 162.9 | 36.2 | -29.9 | 0 | 0 | 0 | 112.8 | ||
| 1013 | S | 34 | Very low | 39.1 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 159.2 | -175 | -75.4 | 0 | 0 | 0 | 0 | 115.6 | S1015 | S1013-S1015 PolarHBondContact O-N 3.42Š|
| 1014 | P | 36.4 | Very low | 39.3 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -77.3 | 108 | -176 | 30.9 | -35.8 | 0 | 0 | 0 | 113.6 | ||||
| 1015 | S | 32.4 | Very low | 39.7 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -133.2 | 154.4 | 160.5 | -72 | 0 | 0 | 0 | 0 | 108.7 | S1013 | S1013-S1015 PolarHBondContact O-N 3.42Š| ||
| 1016 | E | 36 | Very low | 39.8 | Very low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | 64.8 | 73.7 | 173.1 | -52.3 | -162.8 | 151.7 | 0 | 0 | 118.4 | ||||
| 1017 | V | 39.4 | Very low | 40.3 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 90% | 0.903 | 77% | 0.768 | S | S | * | * | trans | -130.3 | 82 | 148.4 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1018 | I | 37 | Very low | 41.1 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -111.9 | 112.3 | 172.1 | -57.9 | 173.9 | 0 | 0 | 0 | 108.8 | ||||
| 1019 | K | 36 | Very low | 42 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | 163.2 | 110.5 | 147.7 | -89.2 | 146 | -162.5 | 165.1 | 0 | 112.1 | ||||
| 1020 | T | 44.1 | Very low | 42.5 | Very low | 145 Ų | 145 | 135 Ų | 135 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | trans | 159 | 69.3 | 153.3 | 38.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1021 | S | 39.6 | Very low | 43 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 52% | 0.517 | 72% | 0.717 | S | S | . | * | cis | 66.6 | 70.5 | 49.6 | -145.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1022 | S | 43.7 | Very low | 43.7 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -144.6 | -56.6 | 157.4 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | V1024 | S1022-V1024 PolarHBondContact O-N 3.18Š|
| 1023 | M | 40.1 | Very low | 43.8 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -25.1 | -176.9 | -68.5 | -167 | -71.8 | 0 | 0 | 115.1 | ||
| 1024 | V | 51.1 | Low | 44.3 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 54% | 0.539 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -45 | -176.8 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | S1022 K1026 R1027 E1028 | S1022-V1024 PolarHBondContact O-N 3.18Å; V1024-K1026 VanDerWaalsContact C-N 3.29Å; V1024-K1026 PolarHBondContact O-N 2.72Å; V1024-R1027 WeakPolarHBondContact O-CA 3.39Å; V1024-R1027 WeakPolarHBondContact O-CB 3.5Å; V1024-R1027 PolarHBondContact O-N 3.03Å; V1024-E1028 HydrophobicContact CG1-CG 4.39Å; V1024-E1028 PolarHBondContact O-N 3.23Å; V1024-E1028 VanDerWaalsContact O-N 3.12Å |
| 1025 | R | 51 | Low | 44.5 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -58.1 | -38.9 | -179.7 | -70 | -174.8 | -174.7 | 162.2 | 3.2 | 113.1 | R1027 E1028 E1029 | R1025-R1027 PolarHBondContact O-N 3.3Å; R1025-E1028 WeakPolarHBondContact CA-OE2 3.19Å; R1025-E1028 PolarHBondContact O-N 3.25Å; R1025-E1029 PolarHBondContact O-N 2.93Å |
| 1026 | K | 50.4 | Low | 45.2 | Very low | 156 Ų | 156 | 137 Ų | 137 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69.5 | -13.2 | 178.8 | -159.5 | 166.1 | -173.2 | 174.1 | 0 | 113.4 | V1024 | V1024-K1026 VanDerWaalsContact C-N 3.29Å; V1024-K1026 PolarHBondContact O-N 2.72Å |
| 1027 | R | 49.7 | Very low | 45.3 | Very low | 183 Ų | 183 | 134 Ų | 134 | 69% | 0.691 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -90.8 | -32.3 | 168.9 | -167.6 | 174.9 | -177.7 | 125 | -0.8 | 112 | V1024 R1025 Q1031 | V1024-R1027 WeakPolarHBondContact O-CA 3.39Å; V1024-R1027 WeakPolarHBondContact O-CB 3.5Å; V1024-R1027 PolarHBondContact O-N 3.03Å; R1025-R1027 PolarHBondContact O-N 3.3Å; R1027-Q1031 WeakPolarHBondContact O-CG 3.41Å; R1027-Q1031 PolarHBondContact O-N 3.07Å |
| 1028 | E | 55.3 | Low | 45.2 | Very low | 98 Ų | 98 | 130 Ų | 130 | 46% | 0.458 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -72.6 | -41.4 | 176.2 | -65.8 | 168.5 | 128.7 | 0 | 0 | 112 | V1024 R1025 L1030 Q1031 H1032 | V1024-E1028 HydrophobicContact CG1-CG 4.39Å; V1024-E1028 PolarHBondContact O-N 3.23Å; V1024-E1028 VanDerWaalsContact O-N 3.12Å; R1025-E1028 WeakPolarHBondContact CA-OE2 3.19Å; R1025-E1028 PolarHBondContact O-N 3.25Å; E1028-L1030 PolarHBondContact O-N 3.44Å; E1028-Q1031 PolarHBondContact O-N 3.46Å; E1028-H1032 PolarHBondContact O-N 3.43Å |
| 1029 | E | 52.1 | Low | 45.6 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -57.9 | -45.5 | 175.3 | -76.4 | 174.3 | 130.2 | 0 | 0 | 111.9 | R1025 Q1031 H1032 E1033 | R1025-E1029 PolarHBondContact O-N 2.93Å; E1029-Q1031 PolarHBondContact O-N 3.09Å; E1029-H1032 PolarHBondContact O-N 3.13Å; E1029-E1033 PolarHBondContact O-N 3.38Å |
| 1030 | L | 50.5 | Low | 45.6 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.4 | -7.6 | 177 | -67.5 | 176.2 | 0 | 0 | 0 | 114 | E1028 | E1028-L1030 PolarHBondContact O-N 3.44Å |
| 1031 | Q | 49.2 | Very low | 45.2 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 54% | 0.542 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -99.7 | -24.9 | 170.8 | -72.4 | -175.3 | -34.6 | 0 | 0 | 112.4 | R1027 E1028 E1029 S1035 | R1027-Q1031 WeakPolarHBondContact O-CG 3.41Å; R1027-Q1031 PolarHBondContact O-N 3.07Å; E1028-Q1031 PolarHBondContact O-N 3.46Å; E1029-Q1031 PolarHBondContact O-N 3.09Å; Q1031-S1035 WeakPolarHBondContact O-CB 3.33Å; Q1031-S1035 PolarHBondContact O-OG 3.16Å |
| 1032 | H | 49.5 | Very low | 45.1 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 68% | 0.676 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -74.5 | -39.8 | 173.4 | -95.8 | -79.7 | 0 | 0 | 0 | 113.3 | E1028 E1029 L1034 S1035 | E1028-H1032 PolarHBondContact O-N 3.43Å; E1029-H1032 PolarHBondContact O-N 3.13Å; H1032-L1034 PolarHBondContact O-N 3.15Å; H1032-L1034 VanDerWaalsContact O-N 3.13Å; H1032-S1035 PolarHBondContact O-N 3.31Å; H1032-S1035 VanDerWaalsContact O-N 3.09Å |
| 1033 | E | 42.7 | Very low | 44.5 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -20.4 | 176.3 | -78.2 | -76.6 | 96.1 | 0 | 0 | 113.8 | E1029 | E1029-E1033 PolarHBondContact O-N 3.38Š|
| 1034 | L | 44 | Very low | 44.2 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 4.7 | 179 | -74.7 | 168.2 | 0 | 0 | 0 | 114 | H1032 | H1032-L1034 PolarHBondContact O-N 3.15Å; H1032-L1034 VanDerWaalsContact O-N 3.13Å |
| 1035 | S | 39.6 | Very low | 43.3 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 58% | 0.58 | 72% | 0.724 | S | S | * | * | trans | -126.8 | 43.9 | -166.2 | -59.7 | 0 | 0 | 0 | 0 | 114.3 | Q1031 H1032 P1037 | Q1031-S1035 WeakPolarHBondContact O-CB 3.33Å; Q1031-S1035 PolarHBondContact O-OG 3.16Å; H1032-S1035 PolarHBondContact O-N 3.31Å; H1032-S1035 VanDerWaalsContact O-N 3.09Å; S1035-P1037 WeakPolarHBondContact O-CD 3.41Å | ||
| 1036 | T | 48.3 | Very low | 42.7 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | -107.8 | 104 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1037 | P | 38.6 | Very low | 41.9 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 128.2 | 167.9 | 30.3 | -32.2 | 0 | 0 | 0 | 110.3 | S1035 | S1035-P1037 WeakPolarHBondContact O-CD 3.41Š|
| 1038 | G | 37.2 | Very low | 41 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 173.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1039 | P | 45.2 | Very low | 40.2 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 142.2 | 172.4 | 34.3 | -32.6 | 0 | 0 | 0 | 111.7 | ||
| 1040 | A | 35.4 | Very low | 39.3 | Very low | 90 Ų | 90 | 126 Ų | 126 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -113 | 126.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1041 | D | 35.4 | Very low | 38.6 | Very low | 177 Ų | 177 | 128 Ų | 128 | 95% | 0.947 | 78% | 0.78 | S | S | * | * | trans | 162.9 | 154.1 | 147.6 | -91.3 | -24.4 | 0 | 0 | 0 | 110 | ||||
| 1042 | G | 37 | Very low | 37.8 | Very low | 77 Ų | 77 | 128 Ų | 128 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 129.7 | 78 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1044 | G1042-R1044 PolarHBondContact O-N 3.35Š| ||
| 1043 | S | 31.3 | Very low | 37.1 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -65.6 | 116.1 | 179.1 | 45.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1044 | R | 34.5 | Very low | 36.6 | Very low | 243 Ų | 243 | 122.4 Ų | 122.4 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -164 | 116.4 | 153.1 | -119.6 | 174.1 | 178.5 | -170.4 | -2.1 | 115.4 | G1042 | G1042-R1044 PolarHBondContact O-N 3.35Š| ||
| 1045 | S | 31.5 | Very low | 36.1 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -78.6 | 172.4 | 151.8 | -44.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1046 | P | 38.5 | Very low | 35.7 | Very low | 111 Ų | 111 | 125 Ų | 125 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | cis | -142.9 | -161.6 | 12.6 | 42.9 | -21.9 | 0 | 0 | 0 | 115.8 | ||||
| 1047 | S | 35.3 | Very low | 34.9 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | 70.9 | 117.9 | 152.7 | 53.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1048 | C | 29 | Very low | 34.6 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 86% | 0.858 | 81% | 0.807 | S | S | * | * | trans | -92.1 | 153 | 162 | -51.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1049 | P | 40 | Very low | 34.4 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -106.1 | 103.3 | 153.4 | 33.7 | -23.8 | 0 | 0 | 0 | 110 | ||||
| 1050 | S | 32.6 | Very low | 33.7 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -75.8 | 131.7 | 164.6 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1051 | N | 35 | Very low | 33.8 | Very low | 162 Ų | 162 | 125 Ų | 125 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -138 | 147.5 | 159.5 | -158.8 | 10.9 | 0 | 0 | 0 | 110.4 | ||||
| 1052 | S | 34 | Very low | 33.5 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -112.5 | 163 | -166.2 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1053 | G | 33.3 | Very low | 33.6 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 168.9 | 100.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1054 | S | 32.3 | Very low | 33.6 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -98.9 | 147.5 | 177.4 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1055 | V | 35.1 | Very low | 33.7 | Very low | 148 Ų | 148 | 121.6 Ų | 121.6 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -137.1 | 143.6 | 164.3 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1056 | Q | 30.2 | Very low | 33.8 | Very low | 141 Ų | 141 | 122 Ų | 122 | 66% | 0.659 | 79% | 0.791 | S | S | * | * | trans | -103 | 146.2 | -176.8 | -56.2 | 170.9 | -90.8 | 0 | 0 | 112 | ||||
| 1057 | C | 32.4 | Very low | 33.7 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -176.8 | 136.6 | 136.6 | -91.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1058 | S | 31.3 | Very low | 33.6 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | cis | 91.3 | 112.6 | 38.1 | -64.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1059 | S | 32.9 | Very low | 33.8 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | 64.7 | 159 | 172.7 | 74.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1060 | S | 30 | Very low | 33.5 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | cis | -166.5 | -177 | -27.9 | -171.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1061 | A | 37.8 | Very low | 33.5 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 66% | 0.661 | 81% | 0.808 | S | S | * | * | trans | 71.2 | 140.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1062 | D | 30.4 | Very low | 33.4 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | cis | 77.6 | 150.2 | 38.9 | -72.9 | -57.7 | 0 | 0 | 0 | 114.7 | ||||
| 1063 | V | 38 | Very low | 33.4 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 73.5 | 103.7 | -170.6 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1064 | S | 32 | Very low | 33.4 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | cis | 72.2 | 143.7 | 33 | -155 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1065 | I | 35.3 | Very low | 33.5 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 80% | 0.795 | 80% | 0.801 | S | S | * | * | trans | 71.6 | 141.5 | 177.8 | -58.6 | 171 | 0 | 0 | 0 | 114.2 | ||||
| 1066 | T | 35.4 | Very low | 33.4 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | cis | -168 | 153.2 | -23.6 | -89.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1067 | A | 35.2 | Very low | 33.6 | Very low | 84 Ų | 84 | 131 Ų | 131 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | trans | 63.9 | 114.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1068 | F | 32.6 | Very low | 33.7 | Very low | 285 Ų | 285 | 131.9 Ų | 131.9 | 100% | 1.25 | 80% | 0.804 | S | S | * | * | -129.2 | 0 | 103.6 | -114.3 | -81.2 | 0 | 0 | 0 | 109.2 |
Retrieved 1,068 of 1,068 residues in 184.9 ms
(Link to these results)