| 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 | 43 | Very low | 47.9 | Very low | 241 Ų | 241 | 143.5 Ų | 143.5 | 100% | 1.187 | 86% | 0.858 | S | S | * | * | 0 | 88.5 | 0 | -66.8 | -166.8 | 168.7 | 0 | 0 | 105.3 | |||||
| 2 | A | 51.1 | Low | 47.2 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 84% | 0.835 | 86% | 0.859 | S | S | * | * | 58.8 | 93.9 | 93.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 3 | D | 48.9 | Very low | 46.7 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 85% | 0.85 | 86% | 0.858 | S | S | * | * | -156.1 | 141.2 | 110 | -139 | -13.6 | 0 | 0 | 0 | 112 | |||||
| 4 | S | 56.1 | Low | 45.8 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | trans | -131.6 | 121.7 | 176.5 | -67.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 5 | A | 46.5 | Very low | 45.2 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | -175.7 | 147.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 6 | S | 48.2 | Very low | 44.7 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | cis | -172.1 | 129.4 | -17.4 | -174.2 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 7 | E | 47.3 | Very low | 44.3 | Very low | 191 Ų | 191 | 126.8 Ų | 126.8 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -67.8 | 139.4 | 167.2 | -59.8 | -177 | 139.1 | 0 | 0 | 108.4 | ||||
| 8 | S | 50.5 | Low | 44 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | trans | -146.5 | 90.2 | 168.8 | 62.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 9 | D | 43.3 | Very low | 43.5 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -63 | 132 | 153.7 | -79.6 | -45.3 | 0 | 0 | 0 | 108.9 | ||||
| 10 | T | 50.7 | Low | 43.2 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -118.7 | 99.8 | 168.2 | 56.7 | 0 | 0 | 0 | 0 | 109 | G12 | T10-G12 PolarHBondContact O-N 3.43Š| ||
| 11 | D | 40.8 | Very low | 43 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -60.8 | 116.4 | 160.5 | -87 | -40.7 | 0 | 0 | 0 | 110 | ||||
| 12 | G | 39.4 | Very low | 42.6 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -97.5 | 75.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T10 | T10-G12 PolarHBondContact O-N 3.43Š| ||
| 13 | A | 41.5 | Very low | 41.6 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -83.8 | 126.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 14 | G | 34.3 | Very low | 40.9 | Very low | 76 Ų | 76 | 122.9 Ų | 122.9 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 147.9 | 100.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 15 | S | 35.9 | Very low | 39.8 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | 175.7 | 120.6 | 106.2 | -149.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 16 | S | 38.3 | Very low | 39.1 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | 70 | 90.9 | 137.6 | -47.9 | 0 | 0 | 0 | 0 | 119.5 | V18 | S16-V18 PolarHBondContact O-N 2.95Š| ||
| 17 | S | 36.5 | Very low | 38.7 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -38.4 | 120.9 | 136.9 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 18 | V | 40.6 | Very low | 38.1 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | -128.8 | 96.2 | 156.3 | -76.8 | 0 | 0 | 0 | 0 | 108.7 | S16 | S16-V18 PolarHBondContact O-N 2.95Š| ||
| 19 | T | 34.5 | Very low | 37.4 | Very low | 121 Ų | 121 | 121 Ų | 121 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 121.6 | 157.7 | -47.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 20 | L | 36.7 | Very low | 37.5 | Very low | 163 Ų | 163 | 123 Ų | 123 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -130.5 | 138.2 | 164.2 | -89.2 | 170.8 | 0 | 0 | 0 | 110.3 | ||||
| 21 | M | 38.4 | Very low | 37 | Very low | 169 Ų | 169 | 122 Ų | 122 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | -78.1 | 150.1 | -152.5 | -68.8 | 171.6 | 69.6 | 0 | 0 | 113.6 | ||||
| 22 | S | 34.3 | Very low | 37.3 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -52.3 | 131.7 | 151.2 | -127.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 23 | S | 31.6 | Very low | 37.7 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -139.8 | 108.6 | 157 | 57.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 24 | S | 33.8 | Very low | 38.2 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -68.5 | 138 | 166.9 | -45.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 25 | A | 32 | Very low | 39.1 | Very low | 90 Ų | 90 | 121.4 Ų | 121.4 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -159.8 | 98.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 26 | S | 33.2 | Very low | 40.2 | Very low | 102 Ų | 102 | 120 Ų | 120 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | 78.6 | 101.1 | 97.9 | 68.6 | 0 | 0 | 0 | 0 | 113.3 | S28 | S26-S28 PolarHBondContact O-N 3.25Š| |||
| 27 | N | 38.1 | Very low | 41.6 | Very low | 177 Ų | 177 | 122.5 Ų | 122.5 | 95% | 0.947 | 76% | 0.756 | S | S | * | * | trans | -49.4 | 115.9 | 157.7 | -148 | 21.1 | 0 | 0 | 0 | 108.9 | ||||
| 28 | S | 35.6 | Very low | 43.3 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -141.7 | 136.2 | 167 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | S26 | S26-S28 PolarHBondContact O-N 3.25Š| ||
| 29 | S | 36.6 | Very low | 45 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | trans | -49.6 | 141.1 | -176.4 | 42.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 30 | K | 44 | Very low | 47.1 | Very low | 204 Ų | 204 | 125.3 Ų | 125.3 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | trans | -30.1 | 140.7 | 164.6 | -61.6 | 175.6 | 177.5 | 177.1 | 0 | 113.6 | ||||
| 31 | P | 41.5 | Very low | 49.3 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | -120.9 | 133.1 | 122.1 | 33.4 | -25.8 | 0 | 0 | 0 | 109.3 | V33 | P31-V33 PolarHBondContact O-N 3.38Š| |||
| 32 | G | 47.1 | Very low | 51.5 | Low | 77 Ų | 77 | 120.9 Ų | 120.9 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | trans | -65.6 | 98 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V34 | G32-V34 PolarHBondContact O-N 2.9Š| ||
| 33 | V | 47.9 | Very low | 54 | Low | 113 Ų | 113 | 120.3 Ų | 120.3 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | -78 | 111.6 | 164.4 | 178.3 | 0 | 0 | 0 | 0 | 106.5 | P31 I35 | P31-V33 PolarHBondContact O-N 3.38Å; V33-I35 VanDerWaalsContact C-N 3.28Å; V33-I35 HydrophobicContact CG1-CG1 4.25Å; V33-I35 PolarHBondContact O-N 3Å | ||
| 34 | V | 51.8 | Low | 56.6 | Low | 143 Ų | 143 | 118.5 Ų | 118.5 | 87% | 0.867 | 68% | 0.678 | S | S | * | * | trans | -69.9 | 90.7 | 171.8 | -174.2 | 0 | 0 | 0 | 0 | 107.1 | G32 S36 | G32-V34 PolarHBondContact O-N 2.9Å; V34-S36 PolarHBondContact O-N 3.2Å | ||
| 35 | I | 53.6 | Low | 59.2 | Low | 80 Ų | 80 | 118 Ų | 118 | 41% | 0.41 | 67% | 0.666 | S | S | . | * | trans | -68.6 | 120.4 | 169.8 | -60.9 | 173.3 | 0 | 0 | 0 | 106.3 | V33 Q37 R39 L40 | V33-I35 VanDerWaalsContact C-N 3.28Å; V33-I35 HydrophobicContact CG1-CG1 4.25Å; V33-I35 PolarHBondContact O-N 3Å; I35-Q37 PolarHBondContact O-N 3.36Å; I35-R39 HydrophobicContact CG2-CB 4.06Å; I35-L40 HydrophobicContact CG2-CB 3.96Å | ||
| 36 | S | 58.8 | Low | 62 | Low | 80 Ų | 80 | 121.9 Ų | 121.9 | 56% | 0.559 | 66% | 0.662 | S | S | * | * | trans | -52.6 | 131.7 | 173.5 | 173 | 0 | 0 | 0 | 0 | 109.9 | V34 F38 R39 L40 | V34-S36 PolarHBondContact O-N 3.2Å; S36-F38 PolarHBondContact O-N 3.09Å; S36-R39 PolarHBondContact O-N 3.35Å; S36-L40 PolarHBondContact O-N 3.41Å | ||
| 37 | Q | 66.2 | Low | 64.8 | Low | 150 Ų | 150 | 122 Ų | 122 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -44.2 | -41.2 | -175.7 | -165.6 | 86.4 | 4.3 | 0 | 0 | 112.5 | I35 R39 L40 E41 | I35-Q37 PolarHBondContact O-N 3.36Å; Q37-R39 PolarHBondContact O-N 3.39Å; Q37-L40 PolarHBondContact O-N 2.89Å; Q37-E41 WeakPolarHBondContact O-CB 3.49Å; Q37-E41 PolarHBondContact O-N 3.38Å |
| 38 | F | 72.3 | Confident | 67.3 | Low | 158 Ų | 158 | 115.8 Ų | 115.8 | 69% | 0.693 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.9 | -41.3 | 178.5 | -175.1 | -97.1 | 0 | 0 | 0 | 113.6 | S36 E41 E42 | S36-F38 PolarHBondContact O-N 3.09Å; F38-E41 PolarHBondContact O-N 2.83Å; F38-E42 WeakPolarHBondContact O-CB 3.43Å; F38-E42 PolarHBondContact O-N 3.5Å |
| 39 | R | 77.9 | Confident | 70.1 | Confident | 172 Ų | 172 | 114.5 Ų | 114.5 | 65% | 0.649 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.1 | -30.4 | -179.9 | -155 | -179.4 | -166.6 | -177 | 3.8 | 111.7 | I35 S36 Q37 L43 | I35-R39 HydrophobicContact CG2-CB 4.06Å; S36-R39 PolarHBondContact O-N 3.35Å; Q37-R39 PolarHBondContact O-N 3.39Å; R39-L43 WeakPolarHBondContact O-CB 3.21Å; R39-L43 WeakPolarHBondContact O-CD1 3.47Å; R39-L43 WeakPolarHBondContact O-CG 3.37Å; R39-L43 PolarHBondContact O-N 2.98Å; R39-L43 VanDerWaalsContact O-N 3.09Å |
| 40 | L | 77.9 | Confident | 72.8 | Confident | 83 Ų | 83 | 113.1 Ų | 113.1 | 44% | 0.435 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.3 | -41.8 | 173 | -174.3 | 65.5 | 0 | 0 | 0 | 110.9 | I35 S36 Q37 L43 T44 | I35-L40 HydrophobicContact CG2-CB 3.96Å; S36-L40 PolarHBondContact O-N 3.41Å; Q37-L40 PolarHBondContact O-N 2.89Å; L40-L43 PolarHBondContact O-N 2.66Å; L40-T44 WeakPolarHBondContact O-CB 3.36Å; L40-T44 PolarHBondContact O-N 3.49Å; L40-T44 PolarHBondContact O-OG1 3.47Å |
| 41 | E | 82.3 | Confident | 75.2 | Confident | 119 Ų | 119 | 109.3 Ų | 109.3 | 56% | 0.556 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.9 | -39.4 | 178.8 | -162.7 | 154.1 | -159.3 | 0 | 0 | 112.3 | Q37 F38 T44 N45 | Q37-E41 WeakPolarHBondContact O-CB 3.49Å; Q37-E41 PolarHBondContact O-N 3.38Å; F38-E41 PolarHBondContact O-N 2.83Å; E41-T44 PolarHBondContact O-N 3.43Å; E41-N45 WeakPolarHBondContact O-CB 3.49Å; E41-N45 PolarHBondContact O-N 3.23Å; E41-N45 PolarHBondContact O-ND2 2.88Å |
| 42 | E | 85.8 | Confident | 77.7 | Confident | 120 Ų | 120 | 109.3 Ų | 109.3 | 56% | 0.561 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.2 | -46 | 171.2 | -172.5 | -177.5 | -176.7 | 0 | 0 | 112.3 | F38 T44 N45 R46 | F38-E42 WeakPolarHBondContact O-CB 3.43Å; F38-E42 PolarHBondContact O-N 3.5Å; E42-T44 VanDerWaalsContact C-N 3.29Å; E42-T44 PolarHBondContact O-N 3.26Å; E42-N45 PolarHBondContact O-N 3.05Å; E42-R46 WeakPolarHBondContact O-CB 3.37Å; E42-R46 PolarHBondContact O-N 2.89Å |
| 43 | L | 86.1 | Confident | 80 | Confident | 102 Ų | 102 | 110.7 Ų | 110.7 | 53% | 0.534 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.6 | -35.6 | 175 | -75.2 | 169.5 | 0 | 0 | 0 | 112 | R39 L40 R46 L47 | R39-L43 WeakPolarHBondContact O-CB 3.21Å; R39-L43 WeakPolarHBondContact O-CD1 3.47Å; R39-L43 WeakPolarHBondContact O-CG 3.37Å; R39-L43 PolarHBondContact O-N 2.98Å; R39-L43 VanDerWaalsContact O-N 3.09Å; L40-L43 PolarHBondContact O-N 2.66Å; L43-R46 PolarHBondContact O-N 3.4Å; L43-L47 WeakPolarHBondContact O-CB 3.29Å; L43-L47 PolarHBondContact O-N 2.9Å |
| 44 | T | 85.6 | Confident | 82.2 | Confident | 78 Ų | 78 | 109.7 Ų | 109.7 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.9 | -44.6 | 177 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | L40 E41 E42 L47 A48 | L40-T44 WeakPolarHBondContact O-CB 3.36Å; L40-T44 PolarHBondContact O-N 3.49Å; L40-T44 PolarHBondContact O-OG1 3.47Å; E41-T44 PolarHBondContact O-N 3.43Å; E42-T44 VanDerWaalsContact C-N 3.29Å; E42-T44 PolarHBondContact O-N 3.26Å; T44-L47 WeakPolarHBondContact O-CB 3.33Å; T44-L47 PolarHBondContact O-N 3.5Å; T44-A48 WeakPolarHBondContact O-CB 3.39Å; T44-A48 PolarHBondContact O-N 2.88Å |
| 45 | N | 88.4 | Confident | 84.3 | Confident | 106 Ų | 106 | 109 Ų | 109 | 57% | 0.567 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.7 | -39.6 | 174.8 | -76.6 | -38.5 | 0 | 0 | 0 | 112.1 | E41 E42 A48 S49 | E41-N45 WeakPolarHBondContact O-CB 3.49Å; E41-N45 PolarHBondContact O-N 3.23Å; E41-N45 PolarHBondContact O-ND2 2.88Å; E42-N45 PolarHBondContact O-N 3.05Å; N45-A48 PolarHBondContact O-N 2.91Å; N45-S49 WeakPolarHBondContact O-CB 3.33Å; N45-S49 PolarHBondContact O-N 3.3Å |
| 46 | R | 92.3 | Very high | 86.4 | Confident | 172 Ų | 172 | 108 Ų | 108 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 173.4 | -170.5 | 76.3 | -178.8 | -168.1 | 3.9 | 111.3 | E42 L43 S49 L50 | E42-R46 WeakPolarHBondContact O-CB 3.37Å; E42-R46 PolarHBondContact O-N 2.89Å; L43-R46 PolarHBondContact O-N 3.4Å; R46-S49 PolarHBondContact O-N 3.47Å; R46-L50 HydrophobicContact CG-CD1 4.18Å; R46-L50 WeakPolarHBondContact O-CB 3.4Å; R46-L50 VanDerWaalsContact O-CG 3.29Å; R46-L50 WeakPolarHBondContact O-CG 3.41Å; R46-L50 PolarHBondContact O-N 3.38Å |
| 47 | L | 90.4 | Very high | 88.2 | Confident | 103 Ų | 103 | 108.5 Ų | 108.5 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 176.3 | -168.5 | 91.1 | 0 | 0 | 0 | 111.3 | L43 T44 L50 Q51 | L43-L47 WeakPolarHBondContact O-CB 3.29Å; L43-L47 PolarHBondContact O-N 2.9Å; T44-L47 WeakPolarHBondContact O-CB 3.33Å; T44-L47 PolarHBondContact O-N 3.5Å; L47-L50 PolarHBondContact O-N 2.93Å; L47-Q51 WeakPolarHBondContact O-CB 3.48Å; L47-Q51 WeakPolarHBondContact O-CG 3.41Å; L47-Q51 PolarHBondContact O-N 3.43Å |
| 48 | A | 91 | Very high | 89.6 | Confident | 48 Ų | 48 | 107.8 Ų | 107.8 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T44 N45 Q51 Q52 | T44-A48 WeakPolarHBondContact O-CB 3.39Å; T44-A48 PolarHBondContact O-N 2.88Å; N45-A48 PolarHBondContact O-N 2.91Å; A48-Q51 PolarHBondContact O-N 2.92Å; A48-Q52 WeakPolarHBondContact O-CB 3.34Å; A48-Q52 PolarHBondContact O-N 3.19Å |
| 49 | S | 94 | Very high | 90.8 | Very high | 74 Ų | 74 | 105 Ų | 105 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 174.5 | -174 | 0 | 0 | 0 | 0 | 111.6 | N45 R46 Q51 Q52 E53 | N45-S49 WeakPolarHBondContact O-CB 3.33Å; N45-S49 PolarHBondContact O-N 3.3Å; R46-S49 PolarHBondContact O-N 3.47Å; S49-Q51 VanDerWaalsContact C-N 3.33Å; S49-Q51 PolarHBondContact O-N 3.38Å; S49-Q52 PolarHBondContact O-N 2.87Å; S49-E53 WeakPolarHBondContact O-CB 3.35Å; S49-E53 PolarHBondContact O-N 3.35Å |
| 50 | L | 93.7 | Very high | 91.7 | Very high | 84 Ų | 84 | 101.2 Ų | 101.2 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 177.2 | -74.2 | 170.7 | 0 | 0 | 0 | 111.6 | R46 L47 E53 N54 | R46-L50 HydrophobicContact CG-CD1 4.18Å; R46-L50 WeakPolarHBondContact O-CB 3.4Å; R46-L50 VanDerWaalsContact O-CG 3.29Å; R46-L50 WeakPolarHBondContact O-CG 3.41Å; R46-L50 PolarHBondContact O-N 3.38Å; L47-L50 PolarHBondContact O-N 2.93Å; L50-E53 PolarHBondContact O-N 3.27Å; L50-N54 WeakPolarHBondContact O-CB 3.32Å; L50-N54 PolarHBondContact O-N 2.85Å |
| 51 | Q | 93.9 | Very high | 92.6 | Very high | 124 Ų | 124 | 101.8 Ų | 101.8 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 174.1 | -79.9 | 177.1 | -18.8 | 0 | 0 | 112.1 | L47 A48 S49 N54 K55 | L47-Q51 WeakPolarHBondContact O-CB 3.48Å; L47-Q51 WeakPolarHBondContact O-CG 3.41Å; L47-Q51 PolarHBondContact O-N 3.43Å; A48-Q51 PolarHBondContact O-N 2.92Å; S49-Q51 VanDerWaalsContact C-N 3.33Å; S49-Q51 PolarHBondContact O-N 3.38Å; Q51-N54 PolarHBondContact O-N 3.48Å; Q51-K55 WeakPolarHBondContact O-CB 3.47Å; Q51-K55 PolarHBondContact O-N 2.92Å |
| 52 | Q | 95.3 | Very high | 93.3 | Very high | 110 Ų | 110 | 100.6 Ų | 100.6 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 176.1 | -178.3 | 62.8 | 12.2 | 0 | 0 | 111.4 | A48 S49 N54 K55 V56 | A48-Q52 WeakPolarHBondContact O-CB 3.34Å; A48-Q52 PolarHBondContact O-N 3.19Å; S49-Q52 PolarHBondContact O-N 2.87Å; Q52-N54 VanDerWaalsContact C-N 3.34Å; Q52-N54 PolarHBondContact O-N 2.89Å; Q52-K55 WeakPolarHBondContact O-CB 3.43Å; Q52-K55 PolarHBondContact O-N 3.29Å; Q52-K55 VanDerWaalsContact O-N 3.11Å; Q52-V56 WeakPolarHBondContact O-CG2 3.42Å; Q52-V56 PolarHBondContact O-N 3.25Å |
| 53 | E | 94.8 | Very high | 93.8 | Very high | 106 Ų | 106 | 98.8 Ų | 98.8 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 173.4 | -173.9 | -178.3 | 173.4 | 0 | 0 | 111 | S49 L50 K55 V56 L57 | S49-E53 WeakPolarHBondContact O-CB 3.35Å; S49-E53 PolarHBondContact O-N 3.35Å; L50-E53 PolarHBondContact O-N 3.27Å; E53-K55 PolarHBondContact O-N 2.85Å; E53-V56 PolarHBondContact O-N 3.39Å; E53-L57 HydrophobicContact CG-CD1 4.13Å; E53-L57 WeakPolarHBondContact O-CB 3.46Å; E53-L57 WeakPolarHBondContact O-CG 3.32Å; E53-L57 PolarHBondContact O-N 3.11Å |
| 54 | N | 94 | Very high | 94.4 | Very high | 91 Ų | 91 | 100.1 Ų | 100.1 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -35.1 | 175.5 | -141.1 | -85.6 | 0 | 0 | 0 | 112.2 | L50 Q51 Q52 K58 | L50-N54 WeakPolarHBondContact O-CB 3.32Å; L50-N54 PolarHBondContact O-N 2.85Å; Q51-N54 PolarHBondContact O-N 3.48Å; Q52-N54 VanDerWaalsContact C-N 3.34Å; Q52-N54 PolarHBondContact O-N 2.89Å; N54-K58 WeakPolarHBondContact O-CB 3.48Å; N54-K58 WeakPolarHBondContact O-CG 3.45Å; N54-K58 PolarHBondContact O-N 2.9Å |
| 55 | K | 96.8 | Very high | 94.9 | Very high | 129 Ų | 129 | 101.2 Ų | 101.2 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69 | -44 | 175.9 | -169.8 | 179.6 | -179.2 | -179.1 | 0 | 111.5 | Q51 Q52 E53 K58 I59 | Q51-K55 WeakPolarHBondContact O-CB 3.47Å; Q51-K55 PolarHBondContact O-N 2.92Å; Q52-K55 WeakPolarHBondContact O-CB 3.43Å; Q52-K55 PolarHBondContact O-N 3.29Å; Q52-K55 VanDerWaalsContact O-N 3.11Å; E53-K55 PolarHBondContact O-N 2.85Å; K55-K58 PolarHBondContact O-N 2.96Å; K55-I59 HydrophobicContact CG-CD1 4.44Å; K55-I59 WeakPolarHBondContact O-CG1 3.5Å; K55-I59 PolarHBondContact O-N 3.45Å; K55-I59 VanDerWaalsContact O-N 3.1Å |
| 56 | V | 96.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 101.7 Ų | 101.7 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | Q52 E53 K58 I59 E60 | Q52-V56 WeakPolarHBondContact O-CG2 3.42Å; Q52-V56 PolarHBondContact O-N 3.25Å; E53-V56 PolarHBondContact O-N 3.39Å; V56-K58 VanDerWaalsContact C-N 3.26Å; V56-K58 PolarHBondContact O-N 3.4Å; V56-I59 WeakPolarHBondContact O-CA 3.42Å; V56-I59 WeakPolarHBondContact O-CB 3.41Å; V56-I59 PolarHBondContact O-N 3.42Å; V56-E60 HydrophobicContact CG1-CG 4.34Å; V56-E60 PolarHBondContact O-N 2.76Å |
| 57 | L | 96.7 | Very high | 95.6 | Very high | 89 Ų | 89 | 99.7 Ų | 99.7 | 47% | 0.466 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.7 | -37.6 | 177.3 | -72.7 | 171.6 | 0 | 0 | 0 | 112.5 | E53 L61 | E53-L57 HydrophobicContact CG-CD1 4.13Å; E53-L57 WeakPolarHBondContact O-CB 3.46Å; E53-L57 WeakPolarHBondContact O-CG 3.32Å; E53-L57 PolarHBondContact O-N 3.11Å; L57-L61 VanDerWaalsContact O-CB 3.22Å; L57-L61 WeakPolarHBondContact O-CB 3.22Å; L57-L61 PolarHBondContact O-N 3.04Å |
| 58 | K | 96.3 | Very high | 96 | Very high | 136 Ų | 136 | 98.2 Ų | 98.2 | 59% | 0.591 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -43.4 | 173.2 | -81.9 | 176.5 | -178.4 | 178.3 | 0 | 112.4 | N54 K55 V56 L61 E62 | N54-K58 WeakPolarHBondContact O-CB 3.48Å; N54-K58 WeakPolarHBondContact O-CG 3.45Å; N54-K58 PolarHBondContact O-N 2.9Å; K55-K58 PolarHBondContact O-N 2.96Å; V56-K58 VanDerWaalsContact C-N 3.26Å; V56-K58 PolarHBondContact O-N 3.4Å; K58-L61 PolarHBondContact O-N 2.99Å; K58-E62 WeakPolarHBondContact O-CG 3.1Å; K58-E62 PolarHBondContact O-N 2.83Å |
| 59 | I | 96.8 | Very high | 96.3 | Very high | 99 Ų | 99 | 102.6 Ų | 102.6 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 178 | -67.2 | 165.8 | 0 | 0 | 0 | 110.5 | K55 V56 E62 T63 | K55-I59 HydrophobicContact CG-CD1 4.44Å; K55-I59 WeakPolarHBondContact O-CG1 3.5Å; K55-I59 PolarHBondContact O-N 3.45Å; K55-I59 VanDerWaalsContact O-N 3.1Å; V56-I59 WeakPolarHBondContact O-CA 3.42Å; V56-I59 WeakPolarHBondContact O-CB 3.41Å; V56-I59 PolarHBondContact O-N 3.42Å; I59-E62 PolarHBondContact O-N 3.16Å; I59-T63 WeakPolarHBondContact O-CB 3.48Å; I59-T63 PolarHBondContact O-N 3.46Å; I59-T63 PolarHBondContact O-OG1 2.88Å |
| 60 | E | 96.1 | Very high | 96.4 | Very high | 93 Ų | 93 | 101.7 Ų | 101.7 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.9 | -70.9 | 177.1 | 176.1 | 0 | 0 | 111.4 | V56 E62 T63 F64 | V56-E60 HydrophobicContact CG1-CG 4.34Å; V56-E60 PolarHBondContact O-N 2.76Å; E60-E62 PolarHBondContact O-N 2.87Å; E60-T63 WeakPolarHBondContact O-CB 3.39Å; E60-T63 PolarHBondContact O-N 3.38Å; E60-T63 VanDerWaalsContact O-N 3.16Å; E60-F64 HydrophobicContact CB-CE2 4.38Å; E60-F64 WeakPolarHBondContact O-CD2 3.36Å; E60-F64 PolarHBondContact O-N 2.86Å |
| 61 | L | 96.4 | Very high | 96.6 | Very high | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 177 | -176 | 133.5 | 0 | 0 | 0 | 112.2 | L57 K58 F64 K65 | L57-L61 VanDerWaalsContact O-CB 3.22Å; L57-L61 WeakPolarHBondContact O-CB 3.22Å; L57-L61 PolarHBondContact O-N 3.04Å; K58-L61 PolarHBondContact O-N 2.99Å; L61-F64 PolarHBondContact O-N 3.25Å; L61-K65 HydrophobicContact CD2-CD 4.17Å; L61-K65 VanDerWaalsContact CD2-CE 3.4Å; L61-K65 WeakPolarHBondContact O-CG 3.39Å; L61-K65 PolarHBondContact O-N 2.75Å |
| 62 | E | 97.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 102.8 Ų | 102.8 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 173.6 | -71.7 | -55.3 | 129.4 | 0 | 0 | 112.2 | K58 I59 E60 K65 L66 | K58-E62 WeakPolarHBondContact O-CG 3.1Å; K58-E62 PolarHBondContact O-N 2.83Å; I59-E62 PolarHBondContact O-N 3.16Å; E60-E62 PolarHBondContact O-N 2.87Å; E62-K65 PolarHBondContact O-N 3.34Å; E62-K65 IonicContact OE1-NZ 3.4Å; E62-K65 PolarHBondContact OE1-NZ 3.1Å; E62-L66 PolarHBondContact O-N 2.98Å |
| 63 | T | 97.4 | Very high | 96.9 | Very high | 83 Ų | 83 | 103.5 Ų | 103.5 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 175 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | I59 E60 L66 K67 | I59-T63 WeakPolarHBondContact O-CB 3.48Å; I59-T63 PolarHBondContact O-N 3.46Å; I59-T63 PolarHBondContact O-OG1 2.88Å; E60-T63 WeakPolarHBondContact O-CB 3.39Å; E60-T63 PolarHBondContact O-N 3.38Å; E60-T63 VanDerWaalsContact O-N 3.16Å; T63-L66 PolarHBondContact O-N 2.95Å; T63-K67 PolarHBondContact O-N 3.32Å |
| 64 | F | 97.7 | Very high | 97 | Very high | 129 Ų | 129 | 103.8 Ų | 103.8 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 175.5 | -74.7 | -58.5 | 0 | 0 | 0 | 112.1 | E60 L61 L66 K67 C68 | E60-F64 HydrophobicContact CB-CE2 4.38Å; E60-F64 WeakPolarHBondContact O-CD2 3.36Å; E60-F64 PolarHBondContact O-N 2.86Å; L61-F64 PolarHBondContact O-N 3.25Å; F64-L66 PolarHBondContact O-N 3.47Å; F64-K67 PolarHBondContact O-N 2.95Å; F64-C68 PolarHBondContact O-N 3.34Å; F64-C68 PolarHBondContact O-SG 2.96Å; F64-C68 VanDerWaalsContact O-SG 3.32Å |
| 65 | K | 97.5 | Very high | 97.1 | Very high | 101 Ų | 101 | 103.1 Ų | 103.1 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 173.4 | -78.4 | 176.5 | -176.1 | 167 | 0 | 112.3 | L61 E62 C68 K69 | L61-K65 HydrophobicContact CD2-CD 4.17Å; L61-K65 VanDerWaalsContact CD2-CE 3.4Å; L61-K65 WeakPolarHBondContact O-CG 3.39Å; L61-K65 PolarHBondContact O-N 2.75Å; E62-K65 PolarHBondContact O-N 3.34Å; E62-K65 IonicContact OE1-NZ 3.4Å; E62-K65 PolarHBondContact OE1-NZ 3.1Å; K65-C68 PolarHBondContact O-N 3.49Å; K65-K69 WeakPolarHBondContact O-CG 3.37Å; K65-K69 PolarHBondContact O-N 3.49Å |
| 66 | L | 97.5 | Very high | 97.2 | Very high | 117 Ų | 117 | 105.2 Ų | 105.2 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -44.7 | 175.6 | -80.7 | 158.9 | 0 | 0 | 0 | 111.2 | E62 T63 F64 C68 K69 A70 | E62-L66 PolarHBondContact O-N 2.98Å; T63-L66 PolarHBondContact O-N 2.95Å; F64-L66 PolarHBondContact O-N 3.47Å; L66-C68 PolarHBondContact O-N 3.48Å; L66-K69 PolarHBondContact O-N 3.36Å; L66-A70 PolarHBondContact O-N 2.96Å |
| 67 | K | 98 | Very high | 97.2 | Very high | 130 Ų | 130 | 105.9 Ų | 105.9 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 175.8 | -172.3 | 176.1 | -177.9 | 177.6 | 0 | 112.2 | T63 F64 K69 A70 L71 | T63-K67 PolarHBondContact O-N 3.32Å; F64-K67 PolarHBondContact O-N 2.95Å; K67-K69 VanDerWaalsContact C-N 3.34Å; K67-K69 PolarHBondContact O-N 3.34Å; K67-A70 PolarHBondContact O-N 3.45Å; K67-L71 HydrophobicContact CG-CD1 4.2Å; K67-L71 WeakPolarHBondContact O-CG 3.39Å; K67-L71 PolarHBondContact O-N 3.24Å |
| 68 | C | 97.4 | Very high | 97.3 | Very high | 71 Ų | 71 | 106.7 Ų | 106.7 | 48% | 0.48 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 176.1 | -71.3 | 0 | 0 | 0 | 0 | 111.9 | F64 K65 L66 L71 Q72 | F64-C68 PolarHBondContact O-N 3.34Å; F64-C68 PolarHBondContact O-SG 2.96Å; F64-C68 VanDerWaalsContact O-SG 3.32Å; K65-C68 PolarHBondContact O-N 3.49Å; L66-C68 PolarHBondContact O-N 3.48Å; C68-L71 PolarHBondContact O-N 3.26Å; C68-Q72 WeakPolarHBondContact O-CB 3.28Å; C68-Q72 VanDerWaalsContact O-CG 3.28Å; C68-Q72 WeakPolarHBondContact O-CG 3.43Å; C68-Q72 PolarHBondContact O-N 3Å |
| 69 | K | 97.2 | Very high | 97.4 | Very high | 140 Ų | 140 | 108.4 Ų | 108.4 | 61% | 0.609 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -46.1 | 174.9 | -75.8 | -179.7 | 178.4 | -178.4 | 0 | 112 | K65 L66 K67 L71 Q72 E73 | K65-K69 WeakPolarHBondContact O-CG 3.37Å; K65-K69 PolarHBondContact O-N 3.49Å; L66-K69 PolarHBondContact O-N 3.36Å; K67-K69 VanDerWaalsContact C-N 3.34Å; K67-K69 PolarHBondContact O-N 3.34Å; K69-L71 PolarHBondContact O-N 2.98Å; K69-Q72 PolarHBondContact O-N 2.9Å; K69-E73 PolarHBondContact O-N 2.88Å |
| 70 | A | 96.8 | Very high | 97.4 | Very high | 55 Ų | 55 | 108.7 Ų | 108.7 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L66 K67 Q72 E73 E74 | L66-A70 PolarHBondContact O-N 2.96Å; K67-A70 PolarHBondContact O-N 3.45Å; A70-Q72 VanDerWaalsContact C-N 3.34Å; A70-Q72 PolarHBondContact O-N 3.48Å; A70-E73 PolarHBondContact O-N 2.95Å; A70-E74 WeakPolarHBondContact O-CB 3.42Å; A70-E74 PolarHBondContact O-N 2.92Å |
| 71 | L | 97.8 | Very high | 97.5 | Very high | 92 Ų | 92 | 106.4 Ų | 106.4 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 176.5 | -72.4 | 172.1 | 0 | 0 | 0 | 112.7 | K67 C68 K69 N75 | K67-L71 HydrophobicContact CG-CD1 4.2Å; K67-L71 WeakPolarHBondContact O-CG 3.39Å; K67-L71 PolarHBondContact O-N 3.24Å; C68-L71 PolarHBondContact O-N 3.26Å; K69-L71 PolarHBondContact O-N 2.98Å; L71-N75 WeakPolarHBondContact O-CB 3.44Å; L71-N75 PolarHBondContact O-N 3.47Å |
| 72 | Q | 97.6 | Very high | 97.6 | Very high | 139 Ų | 139 | 105.3 Ų | 105.3 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.8 | -40.8 | 175.3 | -78.7 | 175.1 | -8.8 | 0 | 0 | 112.1 | C68 K69 A70 N75 R76 | C68-Q72 WeakPolarHBondContact O-CB 3.28Å; C68-Q72 VanDerWaalsContact O-CG 3.28Å; C68-Q72 WeakPolarHBondContact O-CG 3.43Å; C68-Q72 PolarHBondContact O-N 3Å; K69-Q72 PolarHBondContact O-N 2.9Å; A70-Q72 VanDerWaalsContact C-N 3.34Å; A70-Q72 PolarHBondContact O-N 3.48Å; Q72-N75 PolarHBondContact O-N 3.43Å; Q72-R76 WeakPolarHBondContact O-CB 3.29Å; Q72-R76 PolarHBondContact O-N 3.02Å |
| 73 | E | 97.4 | Very high | 97.6 | Very high | 126 Ų | 126 | 105.5 Ų | 105.5 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.3 | -47 | 175.3 | -173.1 | 167.9 | -157.1 | 0 | 0 | 111.1 | K69 A70 N75 R76 D77 | K69-E73 PolarHBondContact O-N 2.88Å; A70-E73 PolarHBondContact O-N 2.95Å; E73-N75 VanDerWaalsContact C-N 3.33Å; E73-N75 PolarHBondContact O-N 3.45Å; E73-R76 CarbonylContact O-C 3.51Å; E73-R76 WeakPolarHBondContact O-CA 3.33Å; E73-R76 WeakPolarHBondContact O-CB 3.4Å; E73-R76 PolarHBondContact O-N 3.22Å; E73-R76 VanDerWaalsContact O-N 3.1Å; E73-D77 PolarHBondContact O-N 3.41Å |
| 74 | E | 97.2 | Very high | 97.7 | Very high | 112 Ų | 112 | 105.2 Ų | 105.2 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 174.6 | -172.6 | -178.6 | -176.4 | 0 | 0 | 111.5 | A70 R76 D77 L78 | A70-E74 WeakPolarHBondContact O-CB 3.42Å; A70-E74 PolarHBondContact O-N 2.92Å; E74-R76 VanDerWaalsContact C-N 3.31Å; E74-R76 PolarHBondContact O-N 2.85Å; E74-D77 PolarHBondContact O-N 3.1Å; E74-L78 HydrophobicContact CG-CD1 4.2Å; E74-L78 HydrophobicContact CG-CG 4.44Å; E74-L78 WeakPolarHBondContact O-CB 3.4Å; E74-L78 VanDerWaalsContact O-CG 3.27Å; E74-L78 WeakPolarHBondContact O-CG 3.5Å; E74-L78 PolarHBondContact O-N 3.3Å |
| 75 | N | 97.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 104.6 Ų | 104.6 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 176.5 | -152.9 | -82.2 | 0 | 0 | 0 | 111.6 | L71 Q72 E73 D77 R79 | L71-N75 WeakPolarHBondContact O-CB 3.44Å; L71-N75 PolarHBondContact O-N 3.47Å; Q72-N75 PolarHBondContact O-N 3.43Å; E73-N75 VanDerWaalsContact C-N 3.33Å; E73-N75 PolarHBondContact O-N 3.45Å; N75-D77 VanDerWaalsContact C-N 3.34Å; N75-R79 VanDerWaalsContact O-CG 3.29Å; N75-R79 WeakPolarHBondContact O-CG 3.27Å; N75-R79 PolarHBondContact O-N 3.48Å; N75-R79 PolarHBondContact OD1-NE 3.34Å; N75-R79 PolarHBondContact OD1-NH2 3.42Å |
| 76 | R | 97.8 | Very high | 97.7 | Very high | 173 Ų | 173 | 105 Ų | 105 | 65% | 0.653 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 175.7 | -175.9 | -179.6 | 178.4 | 143.1 | -0.3 | 111.1 | Q72 E73 E74 R79 K80 | Q72-R76 WeakPolarHBondContact O-CB 3.29Å; Q72-R76 PolarHBondContact O-N 3.02Å; E73-R76 CarbonylContact O-C 3.51Å; E73-R76 WeakPolarHBondContact O-CA 3.33Å; E73-R76 WeakPolarHBondContact O-CB 3.4Å; E73-R76 PolarHBondContact O-N 3.22Å; E73-R76 VanDerWaalsContact O-N 3.1Å; E74-R76 VanDerWaalsContact C-N 3.31Å; E74-R76 PolarHBondContact O-N 2.85Å; R76-R79 PolarHBondContact O-N 2.82Å; R76-K80 WeakPolarHBondContact O-CG 3.38Å; R76-K80 PolarHBondContact O-N 3.1Å; R76-K80 VanDerWaalsContact O-N 3.1Å |
| 77 | D | 97.8 | Very high | 97.7 | Very high | 73 Ų | 73 | 102 Ų | 102 | 39% | 0.39 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.9 | -38.2 | -179.9 | -71.5 | -18.2 | 0 | 0 | 0 | 112.3 | E73 E74 N75 R79 K80 A81 | E73-D77 PolarHBondContact O-N 3.41Å; E74-D77 PolarHBondContact O-N 3.1Å; N75-D77 VanDerWaalsContact C-N 3.34Å; D77-R79 VanDerWaalsContact C-N 3.32Å; D77-R79 PolarHBondContact O-N 2.95Å; D77-K80 PolarHBondContact O-N 2.97Å; D77-K80 IonicContact OD1-NZ 2.69Å; D77-K80 PolarHBondContact OD1-NZ 3.39Å; D77-A81 WeakPolarHBondContact O-CB 3.38Å; D77-A81 PolarHBondContact O-N 3.36Å |
| 78 | L | 97.9 | Very high | 97.7 | Very high | 107 Ų | 107 | 103.8 Ų | 103.8 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.8 | -43 | 170.8 | -73.7 | 172.4 | 0 | 0 | 0 | 111.6 | E74 A81 S82 | E74-L78 HydrophobicContact CG-CD1 4.2Å; E74-L78 HydrophobicContact CG-CG 4.44Å; E74-L78 WeakPolarHBondContact O-CB 3.4Å; E74-L78 VanDerWaalsContact O-CG 3.27Å; E74-L78 WeakPolarHBondContact O-CG 3.5Å; E74-L78 PolarHBondContact O-N 3.3Å; L78-A81 PolarHBondContact O-N 2.87Å; L78-S82 WeakPolarHBondContact O-CB 3.48Å; L78-S82 PolarHBondContact O-N 2.85Å |
| 79 | R | 97.9 | Very high | 97.8 | Very high | 172 Ų | 172 | 102.4 Ų | 102.4 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -45 | 175.7 | -73 | 176.9 | -168.5 | -152.5 | -1 | 112.1 | N75 R76 D77 A81 S82 V83 | N75-R79 VanDerWaalsContact O-CG 3.29Å; N75-R79 WeakPolarHBondContact O-CG 3.27Å; N75-R79 PolarHBondContact O-N 3.48Å; N75-R79 PolarHBondContact OD1-NE 3.34Å; N75-R79 PolarHBondContact OD1-NH2 3.42Å; R76-R79 PolarHBondContact O-N 2.82Å; D77-R79 VanDerWaalsContact C-N 3.32Å; D77-R79 PolarHBondContact O-N 2.95Å; R79-A81 VanDerWaalsContact C-N 3.34Å; R79-A81 PolarHBondContact O-N 2.87Å; R79-S82 PolarHBondContact O-N 3.5Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 2.98Å; R79-V83 VanDerWaalsContact O-N 3.09Å |
| 80 | K | 97.8 | Very high | 97.8 | Very high | 105 Ų | 105 | 100.2 Ų | 100.2 | 46% | 0.457 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 175.3 | -68.5 | 173 | -163.6 | 151.6 | 0 | 111.5 | R76 D77 S82 V83 T84 | R76-K80 WeakPolarHBondContact O-CG 3.38Å; R76-K80 PolarHBondContact O-N 3.1Å; R76-K80 VanDerWaalsContact O-N 3.1Å; D77-K80 PolarHBondContact O-N 2.97Å; D77-K80 IonicContact OD1-NZ 2.69Å; D77-K80 PolarHBondContact OD1-NZ 3.39Å; K80-S82 VanDerWaalsContact C-N 3.34Å; K80-V83 PolarHBondContact O-N 2.93Å; K80-T84 PolarHBondContact O-N 3.09Å; K80-T84 PolarHBondContact O-OG1 2.92Å |
| 81 | A | 97.9 | Very high | 97.8 | Very high | 44 Ų | 44 | 104.1 Ų | 104.1 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D77 L78 R79 T84 I85 | D77-A81 WeakPolarHBondContact O-CB 3.38Å; D77-A81 PolarHBondContact O-N 3.36Å; L78-A81 PolarHBondContact O-N 2.87Å; R79-A81 VanDerWaalsContact C-N 3.34Å; R79-A81 PolarHBondContact O-N 2.87Å; A81-T84 PolarHBondContact O-N 3.23Å; A81-I85 WeakPolarHBondContact O-CB 3.41Å; A81-I85 VanDerWaalsContact O-CG1 3.28Å; A81-I85 WeakPolarHBondContact O-CG1 3.28Å; A81-I85 PolarHBondContact O-N 3.34Å |
| 82 | S | 98.1 | Very high | 97.8 | Very high | 72 Ų | 72 | 106 Ų | 106 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 175.7 | -168.1 | 0 | 0 | 0 | 0 | 112 | L78 R79 K80 T84 I85 Q86 | L78-S82 WeakPolarHBondContact O-CB 3.48Å; L78-S82 PolarHBondContact O-N 2.85Å; R79-S82 PolarHBondContact O-N 3.5Å; K80-S82 VanDerWaalsContact C-N 3.34Å; S82-T84 VanDerWaalsContact C-N 3.31Å; S82-T84 PolarHBondContact O-N 3.26Å; S82-I85 PolarHBondContact O-N 2.8Å; S82-Q86 WeakPolarHBondContact O-CB 3.37Å; S82-Q86 PolarHBondContact O-N 3.03Å |
| 83 | V | 98.3 | Very high | 97.8 | Very high | 98 Ų | 98 | 105.9 Ų | 105.9 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -41 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | R79 K80 Q86 A87 | R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 2.98Å; R79-V83 VanDerWaalsContact O-N 3.09Å; K80-V83 PolarHBondContact O-N 2.93Å; V83-Q86 PolarHBondContact O-N 2.92Å; V83-A87 WeakPolarHBondContact O-CB 3.39Å; V83-A87 PolarHBondContact O-N 3.38Å |
| 84 | T | 97.9 | Very high | 97.9 | Very high | 76 Ų | 76 | 106 Ų | 106 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 179.2 | -54.8 | 0 | 0 | 0 | 0 | 112 | K80 A81 S82 R88 | K80-T84 PolarHBondContact O-N 3.09Å; K80-T84 PolarHBondContact O-OG1 2.92Å; A81-T84 PolarHBondContact O-N 3.23Å; S82-T84 VanDerWaalsContact C-N 3.31Å; S82-T84 PolarHBondContact O-N 3.26Å; T84-R88 WeakPolarHBondContact O-CG 3.43Å; T84-R88 PolarHBondContact O-N 3.27Å; T84-R88 VanDerWaalsContact O-N 3.11Å |
| 85 | I | 98.2 | Very high | 97.9 | Very high | 117 Ų | 117 | 107.5 Ų | 107.5 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 177.4 | -69.9 | 166.3 | 0 | 0 | 0 | 109.8 | A81 S82 R88 A89 | A81-I85 WeakPolarHBondContact O-CB 3.41Å; A81-I85 VanDerWaalsContact O-CG1 3.28Å; A81-I85 WeakPolarHBondContact O-CG1 3.28Å; A81-I85 PolarHBondContact O-N 3.34Å; S82-I85 PolarHBondContact O-N 2.8Å; I85-R88 PolarHBondContact O-N 2.85Å; I85-A89 PolarHBondContact O-N 3.4Å |
| 86 | Q | 98.1 | Very high | 98 | Very high | 109 Ų | 109 | 108.3 Ų | 108.3 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 177.6 | -178 | 170.7 | -6.8 | 0 | 0 | 112 | S82 V83 R88 A89 E90 | S82-Q86 WeakPolarHBondContact O-CB 3.37Å; S82-Q86 PolarHBondContact O-N 3.03Å; V83-Q86 PolarHBondContact O-N 2.92Å; Q86-R88 VanDerWaalsContact C-N 3.27Å; Q86-R88 PolarHBondContact O-N 3.44Å; Q86-A89 WeakPolarHBondContact O-CB 3.49Å; Q86-A89 PolarHBondContact O-N 3.34Å; Q86-A89 VanDerWaalsContact O-N 3.11Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.46Å; Q86-E90 PolarHBondContact NE2-OE1 3.23Å; Q86-E90 WeakPolarHBondContact O-CG 3.4Å; Q86-E90 PolarHBondContact O-N 3.48Å |
| 87 | A | 98.2 | Very high | 98 | Very high | 54 Ų | 54 | 103.6 Ų | 103.6 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.7 | -36.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V83 Q91 | V83-A87 WeakPolarHBondContact O-CB 3.39Å; V83-A87 PolarHBondContact O-N 3.38Å; A87-Q91 WeakPolarHBondContact O-CB 3.41Å; A87-Q91 PolarHBondContact O-N 3.11Å; A87-Q91 VanDerWaalsContact O-N 3.1Å |
| 88 | R | 97.8 | Very high | 98 | Very high | 168 Ų | 168 | 104.3 Ų | 104.3 | 63% | 0.634 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.6 | -41.6 | 173.6 | -76.2 | -173.6 | -176.9 | -171.1 | 1.9 | 112.4 | T84 I85 Q86 Q91 E92 | T84-R88 WeakPolarHBondContact O-CG 3.43Å; T84-R88 PolarHBondContact O-N 3.27Å; T84-R88 VanDerWaalsContact O-N 3.11Å; I85-R88 PolarHBondContact O-N 2.85Å; Q86-R88 VanDerWaalsContact C-N 3.27Å; Q86-R88 PolarHBondContact O-N 3.44Å; R88-Q91 PolarHBondContact O-N 3.31Å; R88-E92 PolarHBondContact O-N 2.85Å |
| 89 | A | 98.1 | Very high | 98.1 | Very high | 41 Ų | 41 | 102.4 Ų | 102.4 | 34% | 0.339 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | I85 Q86 Q91 E92 E93 | I85-A89 PolarHBondContact O-N 3.4Å; Q86-A89 WeakPolarHBondContact O-CB 3.49Å; Q86-A89 PolarHBondContact O-N 3.34Å; Q86-A89 VanDerWaalsContact O-N 3.11Å; A89-Q91 VanDerWaalsContact C-N 3.35Å; A89-Q91 PolarHBondContact O-N 3.11Å; A89-E92 PolarHBondContact O-N 3.1Å; A89-E93 WeakPolarHBondContact O-CG 3.49Å; A89-E93 PolarHBondContact O-N 3.34Å |
| 90 | E | 97.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 99 Ų | 99 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.8 | -71.6 | 170.3 | -172.1 | 0 | 0 | 111.4 | Q86 E92 E93 E94 | Q86-E90 WeakPolarHBondContact CG-OE1 3.46Å; Q86-E90 PolarHBondContact NE2-OE1 3.23Å; Q86-E90 WeakPolarHBondContact O-CG 3.4Å; Q86-E90 PolarHBondContact O-N 3.48Å; E90-E92 PolarHBondContact O-N 2.91Å; E90-E93 PolarHBondContact O-N 2.92Å; E90-E94 WeakPolarHBondContact O-CG 3.45Å; E90-E94 PolarHBondContact O-N 2.87Å |
| 91 | Q | 98.3 | Very high | 98.1 | Very high | 136 Ų | 136 | 99.5 Ų | 99.5 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 175.9 | -174.4 | -179.3 | 10.8 | 0 | 0 | 112.8 | A87 R88 A89 F95 | A87-Q91 WeakPolarHBondContact O-CB 3.41Å; A87-Q91 PolarHBondContact O-N 3.11Å; A87-Q91 VanDerWaalsContact O-N 3.1Å; R88-Q91 PolarHBondContact O-N 3.31Å; A89-Q91 VanDerWaalsContact C-N 3.35Å; A89-Q91 PolarHBondContact O-N 3.11Å; Q91-F95 WeakPolarHBondContact O-CB 3.5Å; Q91-F95 PolarHBondContact O-N 3.33Å |
| 92 | E | 97.6 | Very high | 98.2 | Very high | 131 Ų | 131 | 104.2 Ų | 104.2 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 176.2 | -80.5 | -178.6 | 174 | 0 | 0 | 111.4 | R88 A89 E90 F95 I96 | R88-E92 PolarHBondContact O-N 2.85Å; A89-E92 PolarHBondContact O-N 3.1Å; E90-E92 PolarHBondContact O-N 2.91Å; E92-F95 PolarHBondContact O-N 3.36Å; E92-I96 WeakPolarHBondContact O-CB 3.2Å; E92-I96 WeakPolarHBondContact O-CD1 3.37Å; E92-I96 WeakPolarHBondContact O-CG1 3.45Å; E92-I96 PolarHBondContact O-N 3.47Å |
| 93 | E | 97.8 | Very high | 98.2 | Very high | 138 Ų | 138 | 107.4 Ų | 107.4 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.1 | -45.6 | 175.2 | -75.9 | -175 | 176.6 | 0 | 0 | 111.8 | A89 E90 F95 I96 S97 | A89-E93 WeakPolarHBondContact O-CG 3.49Å; A89-E93 PolarHBondContact O-N 3.34Å; E90-E93 PolarHBondContact O-N 2.92Å; E93-F95 VanDerWaalsContact C-N 3.34Å; E93-F95 PolarHBondContact O-N 2.83Å; E93-I96 PolarHBondContact O-N 3.39Å; E93-S97 WeakPolarHBondContact O-CB 3.26Å; E93-S97 PolarHBondContact O-N 3.47Å |
| 94 | E | 98.1 | Very high | 98.2 | Very high | 129 Ų | 129 | 107 Ų | 107 | 60% | 0.603 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.3 | -42.2 | 174.5 | -75.6 | -176.1 | 176.3 | 0 | 0 | 111.8 | E90 S97 N98 | E90-E94 WeakPolarHBondContact O-CG 3.45Å; E90-E94 PolarHBondContact O-N 2.87Å; E94-S97 PolarHBondContact O-N 3.26Å; E94-N98 VanDerWaalsContact O-CB 3.26Å; E94-N98 WeakPolarHBondContact O-CB 3.26Å; E94-N98 VanDerWaalsContact O-CG 3.25Å; E94-N98 PolarHBondContact O-N 2.89Å; E94-N98 PolarHBondContact O-ND2 2.84Å |
| 95 | F | 98.4 | Very high | 98.3 | Very high | 143 Ų | 143 | 108 Ų | 108 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 178 | 177.4 | -98.3 | 0 | 0 | 0 | 112 | Q91 E92 E93 T99 | Q91-F95 WeakPolarHBondContact O-CB 3.5Å; Q91-F95 PolarHBondContact O-N 3.33Å; E92-F95 PolarHBondContact O-N 3.36Å; E93-F95 VanDerWaalsContact C-N 3.34Å; E93-F95 PolarHBondContact O-N 2.83Å; F95-T99 WeakPolarHBondContact O-CB 3.22Å; F95-T99 PolarHBondContact O-N 3.28Å; F95-T99 PolarHBondContact O-OG1 3.46Å |
| 96 | I | 98.3 | Very high | 98.3 | Very high | 93 Ų | 93 | 105.1 Ų | 105.1 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 177.7 | -68.1 | 164.7 | 0 | 0 | 0 | 109.6 | E92 E93 N98 T99 L100 | E92-I96 WeakPolarHBondContact O-CB 3.2Å; E92-I96 WeakPolarHBondContact O-CD1 3.37Å; E92-I96 WeakPolarHBondContact O-CG1 3.45Å; E92-I96 PolarHBondContact O-N 3.47Å; E93-I96 PolarHBondContact O-N 3.39Å; I96-N98 PolarHBondContact O-N 2.88Å; I96-T99 PolarHBondContact O-N 3.12Å; I96-L100 HydrophobicContact CG2-CD1 3.86Å; I96-L100 HydrophobicContact CG2-CG 4.3Å; I96-L100 WeakPolarHBondContact O-CG 3.33Å; I96-L100 PolarHBondContact O-N 3.09Å |
| 97 | S | 98.3 | Very high | 98.3 | Very high | 75 Ų | 75 | 104.6 Ų | 104.6 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.9 | -49.4 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | E93 E94 T99 L100 F101 | E93-S97 WeakPolarHBondContact O-CB 3.26Å; E93-S97 PolarHBondContact O-N 3.47Å; E94-S97 PolarHBondContact O-N 3.26Å; S97-T99 VanDerWaalsContact C-N 3.31Å; S97-T99 PolarHBondContact O-N 2.95Å; S97-L100 PolarHBondContact O-N 2.93Å; S97-F101 VanDerWaalsContact O-CB 3.26Å; S97-F101 WeakPolarHBondContact O-CB 3.37Å; S97-F101 PolarHBondContact O-N 2.94Å |
| 98 | N | 98.6 | Very high | 98.3 | Very high | 88 Ų | 88 | 107.7 Ų | 107.7 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 177.2 | -77.9 | -44.8 | 0 | 0 | 0 | 112.7 | E94 I96 K102 | E94-N98 VanDerWaalsContact O-CB 3.26Å; E94-N98 WeakPolarHBondContact O-CB 3.26Å; E94-N98 VanDerWaalsContact O-CG 3.25Å; E94-N98 PolarHBondContact O-N 2.89Å; E94-N98 PolarHBondContact O-ND2 2.84Å; I96-N98 PolarHBondContact O-N 2.88Å; N98-K102 VanDerWaalsContact O-CG 3.29Å; N98-K102 WeakPolarHBondContact O-CG 3.35Å; N98-K102 PolarHBondContact O-N 2.81Å; N98-K102 VanDerWaalsContact O-N 3.09Å |
| 99 | T | 98.6 | Very high | 98.4 | Very high | 67 Ų | 67 | 106.6 Ų | 106.6 | 41% | 0.411 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.9 | -45.7 | 178.3 | -61 | 0 | 0 | 0 | 0 | 111.3 | F95 I96 S97 K102 K103 | F95-T99 WeakPolarHBondContact O-CB 3.22Å; F95-T99 PolarHBondContact O-N 3.28Å; F95-T99 PolarHBondContact O-OG1 3.46Å; I96-T99 PolarHBondContact O-N 3.12Å; S97-T99 VanDerWaalsContact C-N 3.31Å; S97-T99 PolarHBondContact O-N 2.95Å; T99-K102 PolarHBondContact O-N 3.46Å; T99-K103 PolarHBondContact O-N 2.88Å; T99-K103 VanDerWaalsContact O-N 3.09Å |
| 100 | L | 98.6 | Very high | 98.4 | Very high | 100 Ų | 100 | 110.8 Ų | 110.8 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 176.9 | -69.1 | 175.9 | 0 | 0 | 0 | 111.3 | I96 S97 K102 K103 I104 | I96-L100 HydrophobicContact CG2-CD1 3.86Å; I96-L100 HydrophobicContact CG2-CG 4.3Å; I96-L100 WeakPolarHBondContact O-CG 3.33Å; I96-L100 PolarHBondContact O-N 3.09Å; S97-L100 PolarHBondContact O-N 2.93Å; L100-K102 PolarHBondContact O-N 3.18Å; L100-K103 PolarHBondContact O-N 2.99Å; L100-K103 VanDerWaalsContact O-N 3.12Å; L100-I104 WeakPolarHBondContact O-CG1 3.27Å; L100-I104 PolarHBondContact O-N 3.46Å |
| 101 | F | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 113.9 Ų | 113.9 | 50% | 0.504 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.9 | -46.2 | 177.9 | -173.8 | -108.4 | 0 | 0 | 0 | 112.1 | S97 K103 I104 Q105 | S97-F101 VanDerWaalsContact O-CB 3.26Å; S97-F101 WeakPolarHBondContact O-CB 3.37Å; S97-F101 PolarHBondContact O-N 2.94Å; F101-K103 VanDerWaalsContact C-N 3.3Å; F101-K103 PolarHBondContact O-N 3.46Å; F101-I104 PolarHBondContact O-N 2.94Å; F101-Q105 HydrophobicContact CE1-CG 4.31Å; F101-Q105 HydrophobicContact CZ-CG 4.41Å; F101-Q105 WeakPolarHBondContact O-CG 3.42Å; F101-Q105 PolarHBondContact O-N 3.49Å |
| 102 | K | 98.7 | Very high | 98.4 | Very high | 144 Ų | 144 | 113.8 Ų | 113.8 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.3 | -40.7 | 173.8 | -74.5 | 172.3 | -175.9 | 176.6 | 0 | 112.1 | N98 T99 L100 Q105 A106 | N98-K102 VanDerWaalsContact O-CG 3.29Å; N98-K102 WeakPolarHBondContact O-CG 3.35Å; N98-K102 PolarHBondContact O-N 2.81Å; N98-K102 VanDerWaalsContact O-N 3.09Å; T99-K102 PolarHBondContact O-N 3.46Å; L100-K102 PolarHBondContact O-N 3.18Å; K102-Q105 PolarHBondContact O-N 2.89Å; K102-A106 WeakPolarHBondContact O-CB 3.44Å; K102-A106 PolarHBondContact O-N 3.31Å |
| 103 | K | 98.7 | Very high | 98.5 | Very high | 139 Ų | 139 | 110.9 Ų | 110.9 | 60% | 0.604 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.3 | -39.8 | 178.7 | -165.6 | 160.5 | -175.5 | 173.7 | 0 | 112.1 | T99 L100 F101 A106 L107 | T99-K103 PolarHBondContact O-N 2.88Å; T99-K103 VanDerWaalsContact O-N 3.09Å; L100-K103 PolarHBondContact O-N 2.99Å; L100-K103 VanDerWaalsContact O-N 3.12Å; F101-K103 VanDerWaalsContact C-N 3.3Å; F101-K103 PolarHBondContact O-N 3.46Å; K103-A106 PolarHBondContact O-N 2.84Å; K103-L107 HydrophobicContact CG-CD1 4.34Å; K103-L107 WeakPolarHBondContact O-CB 3.26Å; K103-L107 VanDerWaalsContact O-CG 3.3Å; K103-L107 WeakPolarHBondContact O-CG 3.3Å; K103-L107 PolarHBondContact O-N 2.97Å |
| 104 | I | 98.6 | Very high | 98.5 | Very high | 89 Ų | 89 | 108.6 Ų | 108.6 | 46% | 0.456 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 173.4 | -70.4 | 165.1 | 0 | 0 | 0 | 110.2 | L100 F101 A106 L107 Q108 | L100-I104 WeakPolarHBondContact O-CG1 3.27Å; L100-I104 PolarHBondContact O-N 3.46Å; F101-I104 PolarHBondContact O-N 2.94Å; I104-A106 PolarHBondContact O-N 3.42Å; I104-L107 PolarHBondContact O-N 3.39Å; I104-Q108 HydrophobicContact CG2-CG 4.33Å; I104-Q108 WeakPolarHBondContact O-CB 3.46Å; I104-Q108 VanDerWaalsContact O-CG 3.27Å; I104-Q108 WeakPolarHBondContact O-CG 3.44Å; I104-Q108 PolarHBondContact O-N 3.09Å |
| 105 | Q | 98.6 | Very high | 98.5 | Very high | 96 Ų | 96 | 104.6 Ų | 104.6 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 177.8 | -73.5 | -172.9 | -15.2 | 0 | 0 | 112.6 | F101 K102 Q108 K109 | F101-Q105 HydrophobicContact CE1-CG 4.31Å; F101-Q105 HydrophobicContact CZ-CG 4.41Å; F101-Q105 WeakPolarHBondContact O-CG 3.42Å; F101-Q105 PolarHBondContact O-N 3.49Å; K102-Q105 PolarHBondContact O-N 2.89Å; Q105-Q108 PolarHBondContact O-N 3.29Å; Q105-K109 WeakPolarHBondContact O-CB 3.39Å; Q105-K109 PolarHBondContact O-N 2.92Å |
| 106 | A | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 100.3 Ų | 100.3 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K102 K103 I104 Q108 K109 E110 | K102-A106 WeakPolarHBondContact O-CB 3.44Å; K102-A106 PolarHBondContact O-N 3.31Å; K103-A106 PolarHBondContact O-N 2.84Å; I104-A106 PolarHBondContact O-N 3.42Å; A106-Q108 VanDerWaalsContact C-N 3.35Å; A106-Q108 PolarHBondContact O-N 3.41Å; A106-K109 PolarHBondContact O-N 3.39Å; A106-E110 WeakPolarHBondContact O-CB 3.29Å; A106-E110 PolarHBondContact O-N 3.47Å |
| 107 | L | 98.7 | Very high | 98.5 | Very high | 99 Ų | 99 | 99.9 Ų | 99.9 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 177 | -71.9 | 170.7 | 0 | 0 | 0 | 112.5 | K103 I104 E110 K111 | K103-L107 HydrophobicContact CG-CD1 4.34Å; K103-L107 WeakPolarHBondContact O-CB 3.26Å; K103-L107 VanDerWaalsContact O-CG 3.3Å; K103-L107 WeakPolarHBondContact O-CG 3.3Å; K103-L107 PolarHBondContact O-N 2.97Å; I104-L107 PolarHBondContact O-N 3.39Å; L107-E110 PolarHBondContact O-N 3.38Å; L107-K111 VanDerWaalsContact O-CB 3.26Å; L107-K111 WeakPolarHBondContact O-CB 3.41Å; L107-K111 PolarHBondContact O-N 3Å |
| 108 | Q | 98.7 | Very high | 98.5 | Very high | 119 Ų | 119 | 102.7 Ų | 102.7 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | 174.7 | -77.4 | 173.2 | -18.3 | 0 | 0 | 111.3 | I104 Q105 A106 K111 E112 | I104-Q108 HydrophobicContact CG2-CG 4.33Å; I104-Q108 WeakPolarHBondContact O-CB 3.46Å; I104-Q108 VanDerWaalsContact O-CG 3.27Å; I104-Q108 WeakPolarHBondContact O-CG 3.44Å; I104-Q108 PolarHBondContact O-N 3.09Å; Q105-Q108 PolarHBondContact O-N 3.29Å; A106-Q108 VanDerWaalsContact C-N 3.35Å; A106-Q108 PolarHBondContact O-N 3.41Å; Q108-K111 PolarHBondContact O-N 3.37Å; Q108-E112 WeakPolarHBondContact O-CB 3.45Å; Q108-E112 PolarHBondContact O-N 2.88Å |
| 109 | K | 98.6 | Very high | 98.5 | Very high | 145 Ų | 145 | 104.1 Ų | 104.1 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.1 | -41.7 | 177.4 | -172.8 | -178.8 | -177.2 | -177.8 | 0 | 112.1 | Q105 A106 E112 T113 | Q105-K109 WeakPolarHBondContact O-CB 3.39Å; Q105-K109 PolarHBondContact O-N 2.92Å; A106-K109 PolarHBondContact O-N 3.39Å; K109-E112 PolarHBondContact O-N 3.29Å; K109-T113 WeakPolarHBondContact O-CB 3.5Å; K109-T113 PolarHBondContact O-N 3.42Å; K109-T113 PolarHBondContact O-OG1 2.94Å |
| 110 | E | 98.3 | Very high | 98.5 | Very high | 129 Ų | 129 | 106.8 Ų | 106.8 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 175.9 | -173.1 | 180 | 178.5 | 0 | 0 | 110.8 | A106 L107 E112 T113 L114 | A106-E110 WeakPolarHBondContact O-CB 3.29Å; A106-E110 PolarHBondContact O-N 3.47Å; L107-E110 PolarHBondContact O-N 3.38Å; E110-E112 PolarHBondContact O-N 2.94Å; E110-T113 PolarHBondContact O-N 2.94Å; E110-L114 VanDerWaalsContact O-CB 3.29Å; E110-L114 WeakPolarHBondContact O-CB 3.48Å; E110-L114 PolarHBondContact O-N 3.39Å |
| 111 | K | 98.6 | Very high | 98.5 | Very high | 160 Ų | 160 | 108.3 Ų | 108.3 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59 | -45.8 | 175 | -177.4 | -172.3 | 174.1 | -174.4 | 0 | 112.1 | L107 Q108 L114 A115 | L107-K111 VanDerWaalsContact O-CB 3.26Å; L107-K111 WeakPolarHBondContact O-CB 3.41Å; L107-K111 PolarHBondContact O-N 3Å; Q108-K111 PolarHBondContact O-N 3.37Å; K111-L114 PolarHBondContact O-N 2.91Å; K111-A115 WeakPolarHBondContact O-CB 3.18Å; K111-A115 PolarHBondContact O-N 2.76Å |
| 112 | E | 98.5 | Very high | 98.5 | Very high | 134 Ų | 134 | 109.2 Ų | 109.2 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 177.1 | -176.2 | -179.1 | -174.9 | 0 | 0 | 111.4 | Q108 K109 E110 L114 A115 V116 | Q108-E112 WeakPolarHBondContact O-CB 3.45Å; Q108-E112 PolarHBondContact O-N 2.88Å; K109-E112 PolarHBondContact O-N 3.29Å; E110-E112 PolarHBondContact O-N 2.94Å; E112-L114 VanDerWaalsContact C-N 3.31Å; E112-L114 PolarHBondContact O-N 3.47Å; E112-A115 PolarHBondContact O-N 3.33Å; E112-V116 WeakPolarHBondContact O-CG2 3.42Å; E112-V116 PolarHBondContact O-N 2.94Å |
| 113 | T | 98.4 | Very high | 98.4 | Very high | 70 Ų | 70 | 108.2 Ų | 108.2 | 43% | 0.429 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.8 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | K109 E110 V116 N117 | K109-T113 WeakPolarHBondContact O-CB 3.5Å; K109-T113 PolarHBondContact O-N 3.42Å; K109-T113 PolarHBondContact O-OG1 2.94Å; E110-T113 PolarHBondContact O-N 2.94Å; T113-V116 PolarHBondContact O-N 3.37Å; T113-N117 WeakPolarHBondContact O-CB 3.44Å; T113-N117 VanDerWaalsContact O-CG 3.26Å; T113-N117 PolarHBondContact O-N 3.14Å |
| 114 | L | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 107.9 Ų | 107.9 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 178.9 | -173.7 | 63.6 | 0 | 0 | 0 | 111.1 | E110 K111 E112 V116 N117 Y118 | E110-L114 VanDerWaalsContact O-CB 3.29Å; E110-L114 WeakPolarHBondContact O-CB 3.48Å; E110-L114 PolarHBondContact O-N 3.39Å; K111-L114 PolarHBondContact O-N 2.91Å; E112-L114 VanDerWaalsContact C-N 3.31Å; E112-L114 PolarHBondContact O-N 3.47Å; L114-V116 PolarHBondContact O-N 3.35Å; L114-N117 PolarHBondContact O-N 2.97Å; L114-Y118 HydrophobicContact CD1-CD2 3.99Å; L114-Y118 HydrophobicContact CD1-CE2 3.56Å; L114-Y118 HydrophobicContact CD2-CE2 3.91Å; L114-Y118 HydrophobicContact CG-CD2 3.73Å; L114-Y118 HydrophobicContact CG-CE2 3.47Å; L114-Y118 VanDerWaalsContact CG-CE2 3.47Å; L114-Y118 WeakPolarHBondContact O-CD2 3.37Å; L114-Y118 PolarHBondContact O-N 3.19Å |
| 115 | A | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 108.6 Ų | 108.6 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K111 E112 N117 Y118 E119 | K111-A115 WeakPolarHBondContact O-CB 3.18Å; K111-A115 PolarHBondContact O-N 2.76Å; E112-A115 PolarHBondContact O-N 3.33Å; A115-N117 VanDerWaalsContact C-N 3.31Å; A115-N117 PolarHBondContact O-N 3.48Å; A115-Y118 PolarHBondContact O-N 2.9Å; A115-E119 WeakPolarHBondContact O-CG 3.49Å; A115-E119 PolarHBondContact O-N 3.39Å |
| 116 | V | 98.4 | Very high | 98.4 | Very high | 54 Ų | 54 | 107.9 Ų | 107.9 | 33% | 0.327 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -37.4 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | E112 T113 L114 K120 | E112-V116 WeakPolarHBondContact O-CG2 3.42Å; E112-V116 PolarHBondContact O-N 2.94Å; T113-V116 PolarHBondContact O-N 3.37Å; L114-V116 PolarHBondContact O-N 3.35Å; V116-K120 HydrophobicContact CG1-CD 4.24Å; V116-K120 VanDerWaalsContact O-CG 3.3Å; V116-K120 WeakPolarHBondContact O-CG 3.29Å; V116-K120 PolarHBondContact O-N 3.42Å; V116-K120 VanDerWaalsContact O-N 3.14Å |
| 117 | N | 98.2 | Very high | 98.4 | Very high | 83 Ų | 83 | 109 Ų | 109 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 176.6 | -72.4 | -14 | 0 | 0 | 0 | 111.7 | T113 L114 A115 K120 E121 | T113-N117 WeakPolarHBondContact O-CB 3.44Å; T113-N117 VanDerWaalsContact O-CG 3.26Å; T113-N117 PolarHBondContact O-N 3.14Å; L114-N117 PolarHBondContact O-N 2.97Å; A115-N117 VanDerWaalsContact C-N 3.31Å; A115-N117 PolarHBondContact O-N 3.48Å; N117-K120 PolarHBondContact O-N 2.84Å; N117-E121 WeakPolarHBondContact O-CB 3.31Å; N117-E121 PolarHBondContact O-N 2.75Å |
| 118 | Y | 98.6 | Very high | 98.4 | Very high | 134 Ų | 134 | 108.3 Ų | 108.3 | 53% | 0.525 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 174.3 | -86.4 | -64.9 | 0 | 0 | 0 | 111.8 | L114 A115 K120 E121 E122 | L114-Y118 HydrophobicContact CD1-CD2 3.99Å; L114-Y118 HydrophobicContact CD1-CE2 3.56Å; L114-Y118 HydrophobicContact CD2-CE2 3.91Å; L114-Y118 HydrophobicContact CG-CD2 3.73Å; L114-Y118 HydrophobicContact CG-CE2 3.47Å; L114-Y118 VanDerWaalsContact CG-CE2 3.47Å; L114-Y118 WeakPolarHBondContact O-CD2 3.37Å; L114-Y118 PolarHBondContact O-N 3.19Å; A115-Y118 PolarHBondContact O-N 2.9Å; Y118-K120 VanDerWaalsContact C-N 3.32Å; Y118-K120 PolarHBondContact O-N 3.29Å; Y118-E121 PolarHBondContact O-N 3.25Å; Y118-E122 WeakPolarHBondContact O-CG 3.38Å; Y118-E122 PolarHBondContact O-N 2.91Å |
| 119 | E | 98 | Very high | 98.3 | Very high | 119 Ų | 119 | 107.7 Ų | 107.7 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.3 | -44.8 | 177 | -73.3 | 173.3 | -178.4 | 0 | 0 | 111.6 | A115 E121 E122 E123 | A115-E119 WeakPolarHBondContact O-CG 3.49Å; A115-E119 PolarHBondContact O-N 3.39Å; E119-E121 PolarHBondContact O-N 3.24Å; E119-E122 PolarHBondContact O-N 2.97Å; E119-E123 WeakPolarHBondContact O-CG 3.45Å; E119-E123 PolarHBondContact O-N 3.48Å |
| 120 | K | 98.1 | Very high | 98.3 | Very high | 123 Ų | 123 | 104 Ų | 104 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 177.2 | -73.1 | 171 | -176.9 | 171.4 | 0 | 113.2 | V116 N117 Y118 E123 F124 | V116-K120 HydrophobicContact CG1-CD 4.24Å; V116-K120 VanDerWaalsContact O-CG 3.3Å; V116-K120 WeakPolarHBondContact O-CG 3.29Å; V116-K120 PolarHBondContact O-N 3.42Å; V116-K120 VanDerWaalsContact O-N 3.14Å; N117-K120 PolarHBondContact O-N 2.84Å; Y118-K120 VanDerWaalsContact C-N 3.32Å; Y118-K120 PolarHBondContact O-N 3.29Å; K120-E123 PolarHBondContact O-N 2.95Å; K120-F124 WeakPolarHBondContact O-CB 3.3Å; K120-F124 PolarHBondContact O-N 2.77Å |
| 121 | E | 98.1 | Very high | 98.3 | Very high | 132 Ų | 132 | 104.2 Ų | 104.2 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.4 | -40.3 | 178.5 | -172.4 | 167.6 | -161 | 0 | 0 | 111 | N117 Y118 E119 F124 L125 | N117-E121 WeakPolarHBondContact O-CB 3.31Å; N117-E121 PolarHBondContact O-N 2.75Å; Y118-E121 PolarHBondContact O-N 3.25Å; E119-E121 PolarHBondContact O-N 3.24Å; E121-F124 PolarHBondContact O-N 2.96Å; E121-L125 WeakPolarHBondContact O-CB 3.27Å; E121-L125 PolarHBondContact O-N 3.5Å |
| 122 | E | 98.1 | Very high | 98.3 | Very high | 134 Ų | 134 | 102.5 Ų | 102.5 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 172.5 | -75.1 | -169.5 | 159.5 | 0 | 0 | 112 | Y118 E119 L125 T126 | Y118-E122 WeakPolarHBondContact O-CG 3.38Å; Y118-E122 PolarHBondContact O-N 2.91Å; E119-E122 PolarHBondContact O-N 2.97Å; E122-L125 PolarHBondContact O-N 3.33Å; E122-T126 VanDerWaalsContact O-CB 3.27Å; E122-T126 WeakPolarHBondContact O-CB 3.47Å; E122-T126 PolarHBondContact O-N 3.48Å; E122-T126 PolarHBondContact O-OG1 2.89Å |
| 123 | E | 97.9 | Very high | 98.2 | Very high | 123 Ų | 123 | 100.9 Ų | 100.9 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 174.3 | -75.8 | -179 | 177 | 0 | 0 | 111.6 | E119 K120 N127 | E119-E123 WeakPolarHBondContact O-CG 3.45Å; E119-E123 PolarHBondContact O-N 3.48Å; K120-E123 PolarHBondContact O-N 2.95Å; E123-N127 VanDerWaalsContact O-CB 3.24Å; E123-N127 WeakPolarHBondContact O-CB 3.36Å; E123-N127 PolarHBondContact O-N 3.49Å; E123-N127 PolarHBondContact O-ND2 2.96Å |
| 124 | F | 98.1 | Very high | 98.2 | Very high | 132 Ų | 132 | 104 Ų | 104 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.1 | -49.9 | 177.9 | 178.4 | -97.1 | 0 | 0 | 0 | 111.3 | K120 E121 T126 N127 E128 | K120-F124 WeakPolarHBondContact O-CB 3.3Å; K120-F124 PolarHBondContact O-N 2.77Å; E121-F124 PolarHBondContact O-N 2.96Å; F124-T126 PolarHBondContact O-N 2.92Å; F124-N127 PolarHBondContact O-N 3.47Å; F124-E128 WeakPolarHBondContact O-CB 3.03Å; F124-E128 PolarHBondContact O-N 2.92Å |
| 125 | L | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 104.5 Ų | 104.5 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -44 | -179 | -173.7 | 63.2 | 0 | 0 | 0 | 111.3 | E121 E122 N127 E128 L129 | E121-L125 WeakPolarHBondContact O-CB 3.27Å; E121-L125 PolarHBondContact O-N 3.5Å; E122-L125 PolarHBondContact O-N 3.33Å; L125-N127 PolarHBondContact O-N 2.88Å; L125-E128 PolarHBondContact O-N 3.46Å; L125-L129 HydrophobicContact CD1-CD1 4.23Å; L125-L129 HydrophobicContact CD1-CG 4.44Å; L125-L129 HydrophobicContact CG-CD1 3.9Å; L125-L129 WeakPolarHBondContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CD1 3.33Å; L125-L129 VanDerWaalsContact O-CG 3.28Å; L125-L129 WeakPolarHBondContact O-CG 3.34Å; L125-L129 PolarHBondContact O-N 3.15Å |
| 126 | T | 98.1 | Very high | 98.1 | Very high | 82 Ų | 82 | 107 Ų | 107 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -45 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | E122 F124 S130 | E122-T126 VanDerWaalsContact O-CB 3.27Å; E122-T126 WeakPolarHBondContact O-CB 3.47Å; E122-T126 PolarHBondContact O-N 3.48Å; E122-T126 PolarHBondContact O-OG1 2.89Å; F124-T126 PolarHBondContact O-N 2.92Å; T126-S130 VanDerWaalsContact O-CB 3.31Å; T126-S130 WeakPolarHBondContact O-CB 3.24Å; T126-S130 PolarHBondContact O-N 3.3Å; T126-S130 PolarHBondContact O-OG 3.29Å |
| 127 | N | 98.5 | Very high | 98.1 | Very high | 81 Ų | 81 | 110.2 Ų | 110.2 | 43% | 0.433 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 178.1 | -76.6 | -38.7 | 0 | 0 | 0 | 112.1 | E123 F124 L125 S130 R131 | E123-N127 VanDerWaalsContact O-CB 3.24Å; E123-N127 WeakPolarHBondContact O-CB 3.36Å; E123-N127 PolarHBondContact O-N 3.49Å; E123-N127 PolarHBondContact O-ND2 2.96Å; F124-N127 PolarHBondContact O-N 3.47Å; L125-N127 PolarHBondContact O-N 2.88Å; N127-S130 PolarHBondContact O-N 3.33Å; N127-R131 PolarHBondContact O-N 3Å |
| 128 | E | 98.4 | Very high | 98.1 | Very high | 83 Ų | 83 | 111.7 Ų | 111.7 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.3 | -43.2 | -179.5 | -163.9 | 61.1 | -166.7 | 0 | 0 | 112 | F124 L125 S130 R131 K132 | F124-E128 WeakPolarHBondContact O-CB 3.03Å; F124-E128 PolarHBondContact O-N 2.92Å; L125-E128 PolarHBondContact O-N 3.46Å; E128-S130 VanDerWaalsContact C-N 3.32Å; E128-S130 PolarHBondContact O-N 3.29Å; E128-R131 PolarHBondContact O-N 3.45Å; E128-R131 IonicContact OE2-CZ 2.75Å; E128-R131 IonicContact OE2-NE 3.45Å; E128-R131 PolarHBondContact OE2-NE 3.43Å; E128-R131 VanDerWaalsContact OE2-NE 3.07Å; E128-R131 IonicContact OE2-NH2 2.8Å; E128-R131 PolarHBondContact OE2-NH2 3.45Å; E128-K132 WeakPolarHBondContact O-CB 3.49Å; E128-K132 PolarHBondContact O-N 3.07Å |
| 129 | L | 98.1 | Very high | 98 | Very high | 107 Ų | 107 | 109 Ų | 109 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.9 | -43.3 | 172.2 | -75.1 | 165.6 | 0 | 0 | 0 | 111.5 | L125 K132 L133 | L125-L129 HydrophobicContact CD1-CD1 4.23Å; L125-L129 HydrophobicContact CD1-CG 4.44Å; L125-L129 HydrophobicContact CG-CD1 3.9Å; L125-L129 WeakPolarHBondContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CD1 3.33Å; L125-L129 VanDerWaalsContact O-CG 3.28Å; L125-L129 WeakPolarHBondContact O-CG 3.34Å; L125-L129 PolarHBondContact O-N 3.15Å; L129-K132 PolarHBondContact O-N 2.96Å; L129-L133 WeakPolarHBondContact O-CB 3.34Å; L129-L133 PolarHBondContact O-N 3.05Å |
| 130 | S | 97.3 | Very high | 98 | Very high | 66 Ų | 66 | 109.3 Ų | 109.3 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | T126 N127 E128 L133 M134 | T126-S130 VanDerWaalsContact O-CB 3.31Å; T126-S130 WeakPolarHBondContact O-CB 3.24Å; T126-S130 PolarHBondContact O-N 3.3Å; T126-S130 PolarHBondContact O-OG 3.29Å; N127-S130 PolarHBondContact O-N 3.33Å; E128-S130 VanDerWaalsContact C-N 3.32Å; E128-S130 PolarHBondContact O-N 3.29Å; S130-L133 PolarHBondContact O-N 3.25Å; S130-M134 WeakPolarHBondContact O-CB 3.5Å; S130-M134 PolarHBondContact O-N 2.89Å |
| 131 | R | 98.4 | Very high | 97.9 | Very high | 134 Ų | 134 | 105.8 Ų | 105.8 | 51% | 0.506 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 173.4 | -83 | -173.1 | -75.4 | -89.1 | 0.5 | 111.8 | N127 E128 L133 M134 Q135 | N127-R131 PolarHBondContact O-N 3Å; E128-R131 PolarHBondContact O-N 3.45Å; E128-R131 IonicContact OE2-CZ 2.75Å; E128-R131 IonicContact OE2-NE 3.45Å; E128-R131 PolarHBondContact OE2-NE 3.43Å; E128-R131 VanDerWaalsContact OE2-NE 3.07Å; E128-R131 IonicContact OE2-NH2 2.8Å; E128-R131 PolarHBondContact OE2-NH2 3.45Å; R131-L133 VanDerWaalsContact C-N 3.31Å; R131-L133 PolarHBondContact O-N 2.85Å; R131-M134 PolarHBondContact O-N 3.32Å; R131-Q135 WeakPolarHBondContact O-CB 3.41Å; R131-Q135 PolarHBondContact O-N 2.9Å |
| 132 | K | 98.4 | Very high | 97.9 | Very high | 124 Ų | 124 | 104.4 Ų | 104.4 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 178.5 | -160.1 | 87.7 | 177 | -169.8 | 0 | 111.5 | E128 L129 Q135 L136 | E128-K132 WeakPolarHBondContact O-CB 3.49Å; E128-K132 PolarHBondContact O-N 3.07Å; L129-K132 PolarHBondContact O-N 2.96Å; K132-Q135 PolarHBondContact O-N 3.43Å; K132-L136 WeakPolarHBondContact O-CG 3.27Å; K132-L136 PolarHBondContact O-N 2.89Å |
| 133 | L | 98.2 | Very high | 97.8 | Very high | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 178 | -179 | 63.3 | 0 | 0 | 0 | 111.3 | L129 S130 R131 Q135 L136 Q137 | L129-L133 WeakPolarHBondContact O-CB 3.34Å; L129-L133 PolarHBondContact O-N 3.05Å; S130-L133 PolarHBondContact O-N 3.25Å; R131-L133 VanDerWaalsContact C-N 3.31Å; R131-L133 PolarHBondContact O-N 2.85Å; L133-Q135 VanDerWaalsContact C-N 3.32Å; L133-Q135 PolarHBondContact O-N 3.3Å; L133-L136 PolarHBondContact O-N 2.96Å; L133-Q137 WeakPolarHBondContact O-CG 3.34Å; L133-Q137 PolarHBondContact O-N 3.07Å |
| 134 | M | 97.8 | Very high | 97.7 | Very high | 135 Ų | 135 | 103.3 Ų | 103.3 | 67% | 0.665 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 176.7 | -173.6 | -174 | -73 | 0 | 0 | 111.3 | S130 R131 Q137 H138 | S130-M134 WeakPolarHBondContact O-CB 3.5Å; S130-M134 PolarHBondContact O-N 2.89Å; R131-M134 PolarHBondContact O-N 3.32Å; M134-Q137 PolarHBondContact O-N 3.46Å; M134-H138 WeakPolarHBondContact O-CB 3.33Å; M134-H138 PolarHBondContact O-N 2.58Å |
| 135 | Q | 97.7 | Very high | 97.7 | Very high | 100 Ų | 100 | 102.4 Ų | 102.4 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 175.6 | -178.4 | 178.7 | 3.5 | 0 | 0 | 111.5 | R131 K132 L133 Q137 H138 E139 | R131-Q135 WeakPolarHBondContact O-CB 3.41Å; R131-Q135 PolarHBondContact O-N 2.9Å; K132-Q135 PolarHBondContact O-N 3.43Å; L133-Q135 VanDerWaalsContact C-N 3.32Å; L133-Q135 PolarHBondContact O-N 3.3Å; Q135-Q137 VanDerWaalsContact C-N 3.31Å; Q135-Q137 PolarHBondContact O-N 2.72Å; Q135-H138 PolarHBondContact O-N 3.34Å; Q135-H138 VanDerWaalsContact O-N 3.16Å; Q135-E139 HydrophobicContact CG-CG 4.39Å; Q135-E139 VanDerWaalsContact CG-OE1 3.32Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.36Å; Q135-E139 PolarHBondContact NE2-OE1 3.11Å; Q135-E139 WeakPolarHBondContact O-CG 3.19Å; Q135-E139 PolarHBondContact O-N 2.93Å |
| 136 | L | 98.2 | Very high | 97.6 | Very high | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 178.7 | -73.6 | 172 | 0 | 0 | 0 | 112.6 | K132 L133 H138 K140 | K132-L136 WeakPolarHBondContact O-CG 3.27Å; K132-L136 PolarHBondContact O-N 2.89Å; L133-L136 PolarHBondContact O-N 2.96Å; L136-H138 VanDerWaalsContact C-N 3.35Å; L136-K140 WeakPolarHBondContact O-CB 3.34Å; L136-K140 PolarHBondContact O-N 2.91Å |
| 137 | Q | 97.6 | Very high | 97.6 | Very high | 121 Ų | 121 | 104.1 Ų | 104.1 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -40.9 | 174.3 | -75.1 | 177.2 | -8.2 | 0 | 0 | 111.7 | L133 M134 Q135 A141 | L133-Q137 WeakPolarHBondContact O-CG 3.34Å; L133-Q137 PolarHBondContact O-N 3.07Å; M134-Q137 PolarHBondContact O-N 3.46Å; Q135-Q137 VanDerWaalsContact C-N 3.31Å; Q135-Q137 PolarHBondContact O-N 2.72Å; Q137-A141 WeakPolarHBondContact O-CB 3.41Å; Q137-A141 PolarHBondContact O-N 3.38Å |
| 138 | H | 97.8 | Very high | 97.5 | Very high | 114 Ų | 114 | 106.6 Ų | 106.6 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.2 | -50.9 | 176.8 | -173.4 | 52.7 | 0 | 0 | 0 | 111.7 | M134 Q135 L136 K140 A141 E142 | M134-H138 WeakPolarHBondContact O-CB 3.33Å; M134-H138 PolarHBondContact O-N 2.58Å; Q135-H138 PolarHBondContact O-N 3.34Å; Q135-H138 VanDerWaalsContact O-N 3.16Å; L136-H138 VanDerWaalsContact C-N 3.35Å; H138-K140 VanDerWaalsContact C-N 3.26Å; H138-K140 PolarHBondContact O-N 2.82Å; H138-A141 PolarHBondContact O-N 2.89Å; H138-E142 IonicContact CD2-OE1 3.82Å; H138-E142 IonicContact CE1-OE1 4Å; H138-E142 IonicContact NE2-OE1 2.82Å; H138-E142 PolarHBondContact NE2-OE1 2.84Å; H138-E142 WeakPolarHBondContact O-CG 3.49Å; H138-E142 PolarHBondContact O-N 2.99Å |
| 139 | E | 97.3 | Very high | 97.4 | Very high | 78 Ų | 78 | 107.7 Ų | 107.7 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.3 | -40.4 | 176.4 | -72 | 175.4 | -169.6 | 0 | 0 | 111.4 | Q135 E142 L143 | Q135-E139 HydrophobicContact CG-CG 4.39Å; Q135-E139 VanDerWaalsContact CG-OE1 3.32Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.36Å; Q135-E139 PolarHBondContact NE2-OE1 3.11Å; Q135-E139 WeakPolarHBondContact O-CG 3.19Å; Q135-E139 PolarHBondContact O-N 2.93Å; E139-E142 PolarHBondContact O-N 3.36Å; E139-L143 WeakPolarHBondContact O-CB 2.82Å; E139-L143 VanDerWaalsContact O-CG 3.27Å; E139-L143 WeakPolarHBondContact O-CG 3.49Å; E139-L143 PolarHBondContact O-N 2.65Å |
| 140 | K | 96.9 | Very high | 97.3 | Very high | 125 Ų | 125 | 106.3 Ų | 106.3 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 174.2 | 178.7 | -177.6 | 168.3 | -175.1 | 0 | 111.6 | L136 H138 E142 L143 E144 | L136-K140 WeakPolarHBondContact O-CB 3.34Å; L136-K140 PolarHBondContact O-N 2.91Å; H138-K140 VanDerWaalsContact C-N 3.26Å; H138-K140 PolarHBondContact O-N 2.82Å; K140-E142 VanDerWaalsContact C-N 3.33Å; K140-E142 PolarHBondContact O-N 3.25Å; K140-L143 PolarHBondContact O-N 3.19Å; K140-E144 WeakPolarHBondContact CE-OE1 3.23Å; K140-E144 HydrophobicContact CG-CG 4.47Å; K140-E144 IonicContact NZ-OE1 2.72Å; K140-E144 WeakPolarHBondContact O-CG 3.45Å; K140-E144 PolarHBondContact O-N 3.4Å |
| 141 | A | 96.7 | Very high | 97.3 | Very high | 50 Ų | 50 | 108.5 Ų | 108.5 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q137 H138 E144 Q145 | Q137-A141 WeakPolarHBondContact O-CB 3.41Å; Q137-A141 PolarHBondContact O-N 3.38Å; H138-A141 PolarHBondContact O-N 2.89Å; A141-E144 PolarHBondContact O-N 3.33Å; A141-Q145 WeakPolarHBondContact O-CB 3.3Å; A141-Q145 PolarHBondContact O-N 3.31Å |
| 142 | E | 97.4 | Very high | 97.2 | Very high | 102 Ų | 102 | 107.7 Ų | 107.7 | 48% | 0.477 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.9 | -69.7 | -175.5 | 148.4 | 0 | 0 | 112.1 | H138 E139 K140 Q145 H146 | H138-E142 IonicContact CD2-OE1 3.82Å; H138-E142 IonicContact CE1-OE1 4Å; H138-E142 IonicContact NE2-OE1 2.82Å; H138-E142 PolarHBondContact NE2-OE1 2.84Å; H138-E142 WeakPolarHBondContact O-CG 3.49Å; H138-E142 PolarHBondContact O-N 2.99Å; E139-E142 PolarHBondContact O-N 3.36Å; K140-E142 VanDerWaalsContact C-N 3.33Å; K140-E142 PolarHBondContact O-N 3.25Å; E142-Q145 PolarHBondContact O-N 2.96Å; E142-H146 WeakPolarHBondContact O-CB 3.32Å; E142-H146 PolarHBondContact O-N 3.46Å |
| 143 | L | 97.2 | Very high | 97.2 | Very high | 127 Ų | 127 | 107.7 Ų | 107.7 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -41 | 176.9 | -72.8 | 173.4 | 0 | 0 | 0 | 112 | E139 K140 H146 L147 | E139-L143 WeakPolarHBondContact O-CB 2.82Å; E139-L143 VanDerWaalsContact O-CG 3.27Å; E139-L143 WeakPolarHBondContact O-CG 3.49Å; E139-L143 PolarHBondContact O-N 2.65Å; K140-L143 PolarHBondContact O-N 3.19Å; L143-H146 PolarHBondContact O-N 3.02Å; L143-L147 VanDerWaalsContact O-CB 3.31Å; L143-L147 WeakPolarHBondContact O-CB 3.27Å; L143-L147 PolarHBondContact O-N 3.42Å |
| 144 | E | 96.1 | Very high | 97.2 | Very high | 108 Ų | 108 | 107.6 Ų | 107.6 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 175.1 | -75.2 | 175.8 | 167.9 | 0 | 0 | 110.9 | K140 A141 L147 E148 | K140-E144 WeakPolarHBondContact CE-OE1 3.23Å; K140-E144 HydrophobicContact CG-CG 4.47Å; K140-E144 IonicContact NZ-OE1 2.72Å; K140-E144 WeakPolarHBondContact O-CG 3.45Å; K140-E144 PolarHBondContact O-N 3.4Å; A141-E144 PolarHBondContact O-N 3.33Å; E144-L147 PolarHBondContact O-N 2.94Å; E144-E148 WeakPolarHBondContact O-CB 3.49Å; E144-E148 PolarHBondContact O-N 2.93Å |
| 145 | Q | 97 | Very high | 97.2 | Very high | 113 Ų | 113 | 105.1 Ų | 105.1 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 177.1 | -173.9 | -176.7 | 24.9 | 0 | 0 | 112.2 | A141 E142 L147 E148 Q149 | A141-Q145 WeakPolarHBondContact O-CB 3.3Å; A141-Q145 PolarHBondContact O-N 3.31Å; E142-Q145 PolarHBondContact O-N 2.96Å; Q145-L147 VanDerWaalsContact C-N 3.33Å; Q145-L147 PolarHBondContact O-N 2.96Å; Q145-E148 PolarHBondContact O-N 3.38Å; Q145-Q149 VanDerWaalsContact O-CG 3.31Å; Q145-Q149 WeakPolarHBondContact O-CG 3.48Å; Q145-Q149 PolarHBondContact O-N 2.8Å |
| 146 | H | 97.1 | Very high | 97.2 | Very high | 122 Ų | 122 | 103.6 Ų | 103.6 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 178.6 | -175.5 | -75.5 | 0 | 0 | 0 | 111.5 | E142 L143 Q149 E150 | E142-H146 WeakPolarHBondContact O-CB 3.32Å; E142-H146 PolarHBondContact O-N 3.46Å; L143-H146 PolarHBondContact O-N 3.02Å; H146-Q149 PolarHBondContact O-N 3.5Å; H146-E150 WeakPolarHBondContact O-CB 3.47Å; H146-E150 PolarHBondContact O-N 3.4Å |
| 147 | L | 97.5 | Very high | 97.3 | Very high | 99 Ų | 99 | 105.7 Ų | 105.7 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 176.5 | -179.4 | 63.3 | 0 | 0 | 0 | 111.3 | L143 E144 Q145 E150 Q151 | L143-L147 VanDerWaalsContact O-CB 3.31Å; L143-L147 WeakPolarHBondContact O-CB 3.27Å; L143-L147 PolarHBondContact O-N 3.42Å; E144-L147 PolarHBondContact O-N 2.94Å; Q145-L147 VanDerWaalsContact C-N 3.33Å; Q145-L147 PolarHBondContact O-N 2.96Å; L147-E150 PolarHBondContact O-N 2.9Å; L147-Q151 HydrophobicContact CD1-CG 4.36Å; L147-Q151 WeakPolarHBondContact O-CB 3.27Å; L147-Q151 VanDerWaalsContact O-CG 3.29Å; L147-Q151 WeakPolarHBondContact O-CG 3.47Å; L147-Q151 PolarHBondContact O-N 2.81Å |
| 148 | E | 95.9 | Very high | 97.3 | Very high | 133 Ų | 133 | 105 Ų | 105 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -46.5 | 177.2 | -174.2 | 173.4 | -160.2 | 0 | 0 | 111.3 | E144 Q145 E150 Q151 E152 | E144-E148 WeakPolarHBondContact O-CB 3.49Å; E144-E148 PolarHBondContact O-N 2.93Å; Q145-E148 PolarHBondContact O-N 3.38Å; E148-E150 PolarHBondContact O-N 3.29Å; E148-Q151 PolarHBondContact O-N 2.91Å; E148-E152 WeakPolarHBondContact O-CB 3.37Å; E148-E152 PolarHBondContact O-N 2.98Å |
| 149 | Q | 96.3 | Very high | 97.2 | Very high | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 177 | -72.5 | 174.5 | 9.5 | 0 | 0 | 112.7 | Q145 H146 E152 F153 | Q145-Q149 VanDerWaalsContact O-CG 3.31Å; Q145-Q149 WeakPolarHBondContact O-CG 3.48Å; Q145-Q149 PolarHBondContact O-N 2.8Å; H146-Q149 PolarHBondContact O-N 3.5Å; Q149-E152 PolarHBondContact O-N 2.94Å; Q149-F153 WeakPolarHBondContact O-CB 3.41Å; Q149-F153 PolarHBondContact O-N 3.47Å |
| 150 | E | 96.7 | Very high | 97.3 | Very high | 78 Ų | 78 | 107.8 Ų | 107.8 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 178.5 | -179.2 | 58.5 | -139.5 | 0 | 0 | 111.2 | H146 L147 E148 F153 Q154 | H146-E150 WeakPolarHBondContact O-CB 3.47Å; H146-E150 PolarHBondContact O-N 3.4Å; L147-E150 PolarHBondContact O-N 2.9Å; E148-E150 PolarHBondContact O-N 3.29Å; E150-F153 PolarHBondContact O-N 2.88Å; E150-Q154 WeakPolarHBondContact O-CG 3.36Å; E150-Q154 PolarHBondContact O-N 3.23Å; E150-Q154 PolarHBondContact OE1-NE2 2.95Å |
| 151 | Q | 97.4 | Very high | 97.4 | Very high | 111 Ų | 111 | 108.3 Ų | 108.3 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 174.2 | -74.2 | 180 | 5 | 0 | 0 | 111.4 | L147 E148 F153 Q154 V155 | L147-Q151 HydrophobicContact CD1-CG 4.36Å; L147-Q151 WeakPolarHBondContact O-CB 3.27Å; L147-Q151 VanDerWaalsContact O-CG 3.29Å; L147-Q151 WeakPolarHBondContact O-CG 3.47Å; L147-Q151 PolarHBondContact O-N 2.81Å; E148-Q151 PolarHBondContact O-N 2.91Å; Q151-F153 VanDerWaalsContact C-N 3.33Å; Q151-F153 PolarHBondContact O-N 3.33Å; Q151-Q154 PolarHBondContact O-N 3.38Å; Q151-V155 WeakPolarHBondContact O-CB 3.45Å; Q151-V155 VanDerWaalsContact O-CG2 3.31Å; Q151-V155 WeakPolarHBondContact O-CG2 3.44Å; Q151-V155 PolarHBondContact O-N 3.34Å |
| 152 | E | 96.7 | Very high | 97.4 | Very high | 118 Ų | 118 | 109.8 Ų | 109.8 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -43.8 | 177.3 | -163.4 | -163.8 | 155.2 | 0 | 0 | 111.1 | E148 Q149 Q154 V155 N156 | E148-E152 WeakPolarHBondContact O-CB 3.37Å; E148-E152 PolarHBondContact O-N 2.98Å; Q149-E152 PolarHBondContact O-N 2.94Å; E152-Q154 PolarHBondContact O-N 2.95Å; E152-V155 PolarHBondContact O-N 2.92Å; E152-N156 VanDerWaalsContact O-CB 3.26Å; E152-N156 WeakPolarHBondContact O-CB 3.32Å; E152-N156 VanDerWaalsContact O-CG 3.27Å; E152-N156 PolarHBondContact O-N 3.06Å; E152-N156 PolarHBondContact O-ND2 3.4Å |
| 153 | F | 98 | Very high | 97.4 | Very high | 123 Ų | 123 | 110.4 Ų | 110.4 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 175.9 | 178.1 | -100.2 | 0 | 0 | 0 | 112 | Q149 E150 Q151 N156 K157 | Q149-F153 WeakPolarHBondContact O-CB 3.41Å; Q149-F153 PolarHBondContact O-N 3.47Å; E150-F153 PolarHBondContact O-N 2.88Å; Q151-F153 VanDerWaalsContact C-N 3.33Å; Q151-F153 PolarHBondContact O-N 3.33Å; F153-N156 PolarHBondContact O-N 3.46Å; F153-K157 HydrophobicContact CE1-CD 4.46Å; F153-K157 WeakPolarHBondContact O-CB 3.42Å; F153-K157 PolarHBondContact O-N 2.86Å |
| 154 | Q | 98.1 | Very high | 97.5 | Very high | 99 Ų | 99 | 111 Ų | 111 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 177.8 | -72.9 | -178.6 | 42.2 | 0 | 0 | 112.2 | E150 Q151 E152 N156 K157 L158 | E150-Q154 WeakPolarHBondContact O-CG 3.36Å; E150-Q154 PolarHBondContact O-N 3.23Å; E150-Q154 PolarHBondContact OE1-NE2 2.95Å; Q151-Q154 PolarHBondContact O-N 3.38Å; E152-Q154 PolarHBondContact O-N 2.95Å; Q154-N156 VanDerWaalsContact C-N 3.34Å; Q154-N156 PolarHBondContact O-N 3.3Å; Q154-K157 WeakPolarHBondContact O-CB 3.4Å; Q154-K157 PolarHBondContact O-N 3.45Å; Q154-L158 WeakPolarHBondContact O-CG 3.42Å; Q154-L158 PolarHBondContact O-N 2.87Å |
| 155 | V | 98.1 | Very high | 97.6 | Very high | 84 Ų | 84 | 110.4 Ų | 110.4 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 175 | 169.4 | 0 | 0 | 0 | 0 | 110.3 | Q151 E152 K157 L158 M159 | Q151-V155 WeakPolarHBondContact O-CB 3.45Å; Q151-V155 VanDerWaalsContact O-CG2 3.31Å; Q151-V155 WeakPolarHBondContact O-CG2 3.44Å; Q151-V155 PolarHBondContact O-N 3.34Å; E152-V155 PolarHBondContact O-N 2.92Å; V155-K157 VanDerWaalsContact C-N 3.32Å; V155-K157 PolarHBondContact O-N 3.43Å; V155-L158 PolarHBondContact O-N 3.28Å; V155-M159 VanDerWaalsContact O-CB 3.32Å; V155-M159 WeakPolarHBondContact O-CB 3.35Å; V155-M159 PolarHBondContact O-N 3Å |
| 156 | N | 98.3 | Very high | 97.6 | Very high | 67 Ų | 67 | 109.9 Ų | 109.9 | 36% | 0.358 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 177.3 | -80 | -34.9 | 0 | 0 | 0 | 112.2 | E152 F153 Q154 K160 | E152-N156 VanDerWaalsContact O-CB 3.26Å; E152-N156 WeakPolarHBondContact O-CB 3.32Å; E152-N156 VanDerWaalsContact O-CG 3.27Å; E152-N156 PolarHBondContact O-N 3.06Å; E152-N156 PolarHBondContact O-ND2 3.4Å; F153-N156 PolarHBondContact O-N 3.46Å; Q154-N156 VanDerWaalsContact C-N 3.34Å; Q154-N156 PolarHBondContact O-N 3.3Å; N156-K160 WeakPolarHBondContact O-CB 3.29Å; N156-K160 VanDerWaalsContact O-CG 3.29Å; N156-K160 WeakPolarHBondContact O-CG 3.42Å; N156-K160 PolarHBondContact O-N 3.16Å |
| 157 | K | 98.6 | Very high | 97.6 | Very high | 141 Ų | 141 | 108.9 Ų | 108.9 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -45.4 | 176.6 | -173.6 | 176.6 | -177.4 | 177.4 | 0 | 111.9 | F153 Q154 V155 K160 K161 | F153-K157 HydrophobicContact CE1-CD 4.46Å; F153-K157 WeakPolarHBondContact O-CB 3.42Å; F153-K157 PolarHBondContact O-N 2.86Å; Q154-K157 WeakPolarHBondContact O-CB 3.4Å; Q154-K157 PolarHBondContact O-N 3.45Å; V155-K157 VanDerWaalsContact C-N 3.32Å; V155-K157 PolarHBondContact O-N 3.43Å; K157-K160 PolarHBondContact O-N 2.94Å; K157-K161 PolarHBondContact O-N 3.26Å; K157-K161 VanDerWaalsContact O-N 3.12Å |
| 158 | L | 98.1 | Very high | 97.7 | Very high | 108 Ų | 108 | 107.8 Ų | 107.8 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.8 | -44.4 | 177.5 | -70.8 | 175.7 | 0 | 0 | 0 | 111.3 | Q154 V155 K160 K161 I162 | Q154-L158 WeakPolarHBondContact O-CG 3.42Å; Q154-L158 PolarHBondContact O-N 2.87Å; V155-L158 PolarHBondContact O-N 3.28Å; L158-K160 VanDerWaalsContact C-N 3.33Å; L158-K160 PolarHBondContact O-N 3.24Å; L158-K161 WeakPolarHBondContact O-CA 3.25Å; L158-K161 WeakPolarHBondContact O-CB 3.38Å; L158-K161 PolarHBondContact O-N 3.12Å; L158-I162 WeakPolarHBondContact O-CG1 3.29Å; L158-I162 PolarHBondContact O-N 3.46Å |
| 159 | M | 96.6 | Very high | 97.8 | Very high | 92 Ų | 92 | 105.8 Ų | 105.8 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 177.5 | -173.8 | 178.2 | -83.6 | 0 | 0 | 111.7 | V155 K161 I162 K163 | V155-M159 VanDerWaalsContact O-CB 3.32Å; V155-M159 WeakPolarHBondContact O-CB 3.35Å; V155-M159 PolarHBondContact O-N 3Å; M159-K161 VanDerWaalsContact C-N 3.32Å; M159-K161 PolarHBondContact O-N 2.83Å; M159-I162 PolarHBondContact O-N 2.82Å; M159-K163 HydrophobicContact CG-CD 4.43Å; M159-K163 WeakPolarHBondContact O-CG 3.39Å; M159-K163 PolarHBondContact O-N 2.98Å |
| 160 | K | 98.3 | Very high | 97.8 | Very high | 158 Ų | 158 | 105.4 Ų | 105.4 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -40.2 | 172.8 | -75.6 | 173.6 | -177.1 | 177.2 | 0 | 112.2 | N156 K157 L158 K164 | N156-K160 WeakPolarHBondContact O-CB 3.29Å; N156-K160 VanDerWaalsContact O-CG 3.29Å; N156-K160 WeakPolarHBondContact O-CG 3.42Å; N156-K160 PolarHBondContact O-N 3.16Å; K157-K160 PolarHBondContact O-N 2.94Å; L158-K160 VanDerWaalsContact C-N 3.33Å; L158-K160 PolarHBondContact O-N 3.24Å; K160-K164 PolarHBondContact O-N 3.49Å |
| 161 | K | 98.4 | Very high | 97.9 | Very high | 135 Ų | 135 | 104.9 Ų | 104.9 | 59% | 0.587 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.3 | -42 | 177.7 | -169.9 | 176.2 | -179.3 | -178 | 0 | 111.8 | K157 L158 M159 K164 M165 | K157-K161 PolarHBondContact O-N 3.26Å; K157-K161 VanDerWaalsContact O-N 3.12Å; L158-K161 WeakPolarHBondContact O-CA 3.25Å; L158-K161 WeakPolarHBondContact O-CB 3.38Å; L158-K161 PolarHBondContact O-N 3.12Å; M159-K161 VanDerWaalsContact C-N 3.32Å; M159-K161 PolarHBondContact O-N 2.83Å; K161-K164 PolarHBondContact O-N 3.46Å; K161-M165 HydrophobicContact CG-CE 4.41Å; K161-M165 WeakPolarHBondContact O-CG 3.31Å; K161-M165 PolarHBondContact O-N 2.99Å |
| 162 | I | 97.4 | Very high | 98 | Very high | 82 Ų | 82 | 106.4 Ų | 106.4 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.4 | -55.2 | 174.4 | -70 | 168.3 | 0 | 0 | 0 | 109.5 | L158 M159 K164 M165 E166 | L158-I162 WeakPolarHBondContact O-CG1 3.29Å; L158-I162 PolarHBondContact O-N 3.46Å; M159-I162 PolarHBondContact O-N 2.82Å; I162-K164 PolarHBondContact O-N 2.92Å; I162-M165 PolarHBondContact O-N 3.48Å; I162-E166 HydrophobicContact CG2-CG 4.11Å; I162-E166 VanDerWaalsContact CG2-OE1 3.31Å; I162-E166 WeakPolarHBondContact CG2-OE1 3.42Å; I162-E166 WeakPolarHBondContact O-CG 3.4Å; I162-E166 PolarHBondContact O-N 3.29Å |
| 163 | K | 98.2 | Very high | 98 | Very high | 114 Ų | 114 | 104.9 Ų | 104.9 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -54 | -40.5 | 178.4 | -73.2 | 176.9 | 179.4 | 177.3 | 0 | 112.8 | M159 N167 | M159-K163 HydrophobicContact CG-CD 4.43Å; M159-K163 WeakPolarHBondContact O-CG 3.39Å; M159-K163 PolarHBondContact O-N 2.98Å; K163-N167 WeakPolarHBondContact O-CB 3.43Å; K163-N167 VanDerWaalsContact O-CG 3.23Å; K163-N167 PolarHBondContact O-N 3.46Å; K163-N167 PolarHBondContact O-ND2 2.95Å |
| 164 | K | 98.3 | Very high | 98 | Very high | 139 Ų | 139 | 103.9 Ų | 103.9 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -48.9 | 175.9 | -175.6 | 178.4 | 178.1 | -179.8 | 0 | 111.9 | K160 K161 I162 E166 N167 D168 | K160-K164 PolarHBondContact O-N 3.49Å; K161-K164 PolarHBondContact O-N 3.46Å; I162-K164 PolarHBondContact O-N 2.92Å; K164-E166 VanDerWaalsContact C-N 3.33Å; K164-E166 PolarHBondContact O-N 3.23Å; K164-N167 PolarHBondContact O-N 3.46Å; K164-D168 PolarHBondContact O-N 3.41Å |
| 165 | M | 97.9 | Very high | 98 | Very high | 96 Ų | 96 | 103.2 Ų | 103.2 | 47% | 0.473 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 179.4 | -68.3 | -174.3 | -52.7 | 0 | 0 | 112.3 | K161 I162 D168 T169 | K161-M165 HydrophobicContact CG-CE 4.41Å; K161-M165 WeakPolarHBondContact O-CG 3.31Å; K161-M165 PolarHBondContact O-N 2.99Å; I162-M165 PolarHBondContact O-N 3.48Å; M165-D168 PolarHBondContact O-N 2.97Å; M165-T169 WeakPolarHBondContact O-CB 3.44Å; M165-T169 PolarHBondContact O-N 2.69Å; M165-T169 PolarHBondContact O-OG1 2.93Å |
| 166 | E | 97.6 | Very high | 98 | Very high | 103 Ų | 103 | 103.4 Ų | 103.4 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -49.3 | 173.2 | -72.4 | 172 | 160.4 | 0 | 0 | 110.6 | I162 K164 D168 T169 I170 | I162-E166 HydrophobicContact CG2-CG 4.11Å; I162-E166 VanDerWaalsContact CG2-OE1 3.31Å; I162-E166 WeakPolarHBondContact CG2-OE1 3.42Å; I162-E166 WeakPolarHBondContact O-CG 3.4Å; I162-E166 PolarHBondContact O-N 3.29Å; K164-E166 VanDerWaalsContact C-N 3.33Å; K164-E166 PolarHBondContact O-N 3.23Å; E166-D168 PolarHBondContact O-N 2.85Å; E166-T169 WeakPolarHBondContact O-CB 3.37Å; E166-T169 PolarHBondContact O-N 2.99Å; E166-I170 WeakPolarHBondContact O-CG1 3.43Å; E166-I170 PolarHBondContact O-N 3.39Å |
| 167 | N | 98 | Very high | 98 | Very high | 100 Ų | 100 | 103.1 Ų | 103.1 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 176.6 | -72.8 | -14 | 0 | 0 | 0 | 112.7 | K163 K164 T169 I170 S171 | K163-N167 WeakPolarHBondContact O-CB 3.43Å; K163-N167 VanDerWaalsContact O-CG 3.23Å; K163-N167 PolarHBondContact O-N 3.46Å; K163-N167 PolarHBondContact O-ND2 2.95Å; K164-N167 PolarHBondContact O-N 3.46Å; N167-T169 VanDerWaalsContact C-N 3.29Å; N167-T169 PolarHBondContact O-N 3.48Å; N167-I170 PolarHBondContact O-N 3.49Å; N167-S171 WeakPolarHBondContact O-CB 3.31Å; N167-S171 PolarHBondContact O-N 3.46Å; N167-S171 PolarHBondContact O-OG 2.84Å |
| 168 | D | 98.2 | Very high | 98 | Very high | 76 Ų | 76 | 100.5 Ų | 100.5 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 176.2 | -72.5 | -12.1 | 0 | 0 | 0 | 111 | K164 M165 E166 K172 | K164-D168 PolarHBondContact O-N 3.41Å; M165-D168 PolarHBondContact O-N 2.97Å; E166-D168 PolarHBondContact O-N 2.85Å; D168-K172 WeakPolarHBondContact O-CB 3.31Å; D168-K172 VanDerWaalsContact O-CG 3.28Å; D168-K172 WeakPolarHBondContact O-CG 3.46Å; D168-K172 PolarHBondContact O-N 2.9Å |
| 169 | T | 97.9 | Very high | 98 | Very high | 92 Ų | 92 | 100 Ų | 100 | 56% | 0.564 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.7 | -47.1 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | M165 E166 N167 S171 K172 Q173 | M165-T169 WeakPolarHBondContact O-CB 3.44Å; M165-T169 PolarHBondContact O-N 2.69Å; M165-T169 PolarHBondContact O-OG1 2.93Å; E166-T169 WeakPolarHBondContact O-CB 3.37Å; E166-T169 PolarHBondContact O-N 2.99Å; N167-T169 VanDerWaalsContact C-N 3.29Å; N167-T169 PolarHBondContact O-N 3.48Å; T169-S171 VanDerWaalsContact C-N 3.33Å; T169-S171 PolarHBondContact O-N 3.31Å; T169-K172 PolarHBondContact O-N 3.45Å; T169-Q173 WeakPolarHBondContact O-CB 3.41Å; T169-Q173 PolarHBondContact O-N 3.37Å |
| 170 | I | 98.1 | Very high | 98.1 | Very high | 98 Ų | 98 | 103 Ų | 103 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 176 | -67.4 | 165.6 | 0 | 0 | 0 | 110.2 | E166 N167 K172 Q173 L174 | E166-I170 WeakPolarHBondContact O-CG1 3.43Å; E166-I170 PolarHBondContact O-N 3.39Å; N167-I170 PolarHBondContact O-N 3.49Å; I170-K172 PolarHBondContact O-N 2.93Å; I170-Q173 WeakPolarHBondContact O-CB 3.5Å; I170-Q173 PolarHBondContact O-N 2.94Å; I170-L174 HydrophobicContact CG2-CD1 4.12Å; I170-L174 HydrophobicContact CG2-CG 4.43Å; I170-L174 WeakPolarHBondContact O-CG 3.42Å; I170-L174 PolarHBondContact O-N 3Å |
| 171 | S | 98.1 | Very high | 98.1 | Very high | 66 Ų | 66 | 101.4 Ų | 101.4 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 179.3 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | N167 T169 Q173 L174 T175 | N167-S171 WeakPolarHBondContact O-CB 3.31Å; N167-S171 PolarHBondContact O-N 3.46Å; N167-S171 PolarHBondContact O-OG 2.84Å; T169-S171 VanDerWaalsContact C-N 3.33Å; T169-S171 PolarHBondContact O-N 3.31Å; S171-Q173 VanDerWaalsContact C-N 3.33Å; S171-Q173 PolarHBondContact O-N 3.37Å; S171-L174 PolarHBondContact O-N 3.33Å; S171-T175 PolarHBondContact O-N 2.98Å; S171-T175 PolarHBondContact O-OG1 3.43Å; S171-T175 VanDerWaalsContact O-OG1 3.11Å |
| 172 | K | 98.3 | Very high | 98 | Very high | 143 Ų | 143 | 99 Ų | 99 | 62% | 0.622 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.3 | -40.4 | 175.2 | -74.1 | 171.9 | -177.3 | 174.9 | 0 | 112.1 | D168 T169 I170 T175 L176 | D168-K172 WeakPolarHBondContact O-CB 3.31Å; D168-K172 VanDerWaalsContact O-CG 3.28Å; D168-K172 WeakPolarHBondContact O-CG 3.46Å; D168-K172 PolarHBondContact O-N 2.9Å; T169-K172 PolarHBondContact O-N 3.45Å; I170-K172 PolarHBondContact O-N 2.93Å; K172-T175 PolarHBondContact O-N 2.77Å; K172-L176 WeakPolarHBondContact O-CB 3.32Å; K172-L176 WeakPolarHBondContact O-CG 3.31Å; K172-L176 PolarHBondContact O-N 2.86Å |
| 173 | Q | 98.1 | Very high | 98.1 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 177.1 | -176.8 | 63.5 | 26.7 | 0 | 0 | 111.1 | T169 I170 S171 L176 E177 | T169-Q173 WeakPolarHBondContact O-CB 3.41Å; T169-Q173 PolarHBondContact O-N 3.37Å; I170-Q173 WeakPolarHBondContact O-CB 3.5Å; I170-Q173 PolarHBondContact O-N 2.94Å; S171-Q173 VanDerWaalsContact C-N 3.33Å; S171-Q173 PolarHBondContact O-N 3.37Å; Q173-L176 PolarHBondContact O-N 3.24Å; Q173-E177 PolarHBondContact NE2-OE1 2.92Å; Q173-E177 WeakPolarHBondContact O-CG 3.5Å; Q173-E177 PolarHBondContact O-N 2.9Å |
| 174 | L | 98.2 | Very high | 98.1 | Very high | 102 Ų | 102 | 99.2 Ų | 99.2 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 176 | -70.6 | 173 | 0 | 0 | 0 | 112 | I170 S171 L176 E177 Q178 | I170-L174 HydrophobicContact CG2-CD1 4.12Å; I170-L174 HydrophobicContact CG2-CG 4.43Å; I170-L174 WeakPolarHBondContact O-CG 3.42Å; I170-L174 PolarHBondContact O-N 3Å; S171-L174 PolarHBondContact O-N 3.33Å; L174-L176 PolarHBondContact O-N 3.47Å; L174-E177 PolarHBondContact O-N 2.86Å; L174-Q178 WeakPolarHBondContact O-CB 3.38Å; L174-Q178 PolarHBondContact O-N 3.29Å |
| 175 | T | 98 | Very high | 98 | Very high | 85 Ų | 85 | 97.1 Ų | 97.1 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | S171 K172 Q178 L179 | S171-T175 PolarHBondContact O-N 2.98Å; S171-T175 PolarHBondContact O-OG1 3.43Å; S171-T175 VanDerWaalsContact O-OG1 3.11Å; K172-T175 PolarHBondContact O-N 2.77Å; T175-Q178 PolarHBondContact O-N 3.44Å; T175-L179 HydrophobicContact CG2-CD1 4.29Å; T175-L179 WeakPolarHBondContact O-CG 3.35Å; T175-L179 PolarHBondContact O-N 3.03Å |
| 176 | L | 98.4 | Very high | 98 | Very high | 88 Ų | 88 | 98.4 Ų | 98.4 | 46% | 0.461 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 177.4 | -76.7 | 173.5 | 0 | 0 | 0 | 112.1 | K172 Q173 L174 L179 R180 | K172-L176 WeakPolarHBondContact O-CB 3.32Å; K172-L176 WeakPolarHBondContact O-CG 3.31Å; K172-L176 PolarHBondContact O-N 2.86Å; Q173-L176 PolarHBondContact O-N 3.24Å; L174-L176 PolarHBondContact O-N 3.47Å; L176-L179 PolarHBondContact O-N 2.92Å; L176-R180 WeakPolarHBondContact O-CB 3.34Å; L176-R180 VanDerWaalsContact O-CG 3.29Å; L176-R180 WeakPolarHBondContact O-CG 3.35Å; L176-R180 PolarHBondContact O-N 3.29Å |
| 177 | E | 98.1 | Very high | 98 | Very high | 61 Ų | 61 | 98 Ų | 98 | 29% | 0.285 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 174.7 | -75.1 | 176.4 | -163.1 | 0 | 0 | 112.1 | Q173 L174 R180 R181 | Q173-E177 PolarHBondContact NE2-OE1 2.92Å; Q173-E177 WeakPolarHBondContact O-CG 3.5Å; Q173-E177 PolarHBondContact O-N 2.9Å; L174-E177 PolarHBondContact O-N 2.86Å; E177-R180 PolarHBondContact O-N 3.46Å; E177-R181 WeakPolarHBondContact O-CG 3.31Å; E177-R181 PolarHBondContact O-N 3.27Å; E177-R181 IonicContact OE2-NH2 2.91Å; E177-R181 PolarHBondContact OE2-NH2 3.4Å |
| 178 | Q | 98.1 | Very high | 97.9 | Very high | 86 Ų | 86 | 96.5 Ų | 96.5 | 40% | 0.402 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 174.9 | -176.8 | 59.5 | 22.9 | 0 | 0 | 111.4 | L174 T175 R180 R181 E182 | L174-Q178 WeakPolarHBondContact O-CB 3.38Å; L174-Q178 PolarHBondContact O-N 3.29Å; T175-Q178 PolarHBondContact O-N 3.44Å; Q178-R180 VanDerWaalsContact C-N 3.27Å; Q178-R180 PolarHBondContact O-N 2.82Å; Q178-R181 WeakPolarHBondContact O-CB 3.34Å; Q178-R181 PolarHBondContact O-N 3.38Å; Q178-R181 VanDerWaalsContact O-N 3.11Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.26Å; Q178-E182 PolarHBondContact NE2-OE1 3.38Å; Q178-E182 WeakPolarHBondContact O-CG 3.4Å; Q178-E182 PolarHBondContact O-N 2.86Å |
| 179 | L | 98.2 | Very high | 97.9 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -34.8 | 176.5 | -70.5 | 173.3 | 0 | 0 | 0 | 112.5 | T175 L176 K183 | T175-L179 HydrophobicContact CG2-CD1 4.29Å; T175-L179 WeakPolarHBondContact O-CG 3.35Å; T175-L179 PolarHBondContact O-N 3.03Å; L176-L179 PolarHBondContact O-N 2.92Å; L179-K183 WeakPolarHBondContact O-CB 3.41Å; L179-K183 PolarHBondContact O-N 2.88Å |
| 180 | R | 98.1 | Very high | 97.9 | Very high | 155 Ų | 155 | 96 Ų | 96 | 59% | 0.585 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.7 | -41.4 | 173.9 | -77 | 172.3 | 177.8 | 167.6 | -0 | 111.9 | L176 E177 Q178 I184 | L176-R180 WeakPolarHBondContact O-CB 3.34Å; L176-R180 VanDerWaalsContact O-CG 3.29Å; L176-R180 WeakPolarHBondContact O-CG 3.35Å; L176-R180 PolarHBondContact O-N 3.29Å; E177-R180 PolarHBondContact O-N 3.46Å; Q178-R180 VanDerWaalsContact C-N 3.27Å; Q178-R180 PolarHBondContact O-N 2.82Å; R180-I184 WeakPolarHBondContact O-CD1 3.34Å; R180-I184 VanDerWaalsContact O-CG1 3.3Å; R180-I184 WeakPolarHBondContact O-CG1 3.31Å; R180-I184 PolarHBondContact O-N 2.9Å; R180-I184 VanDerWaalsContact O-N 3.14Å |
| 181 | R | 98.2 | Very high | 97.8 | Very high | 124 Ų | 124 | 96.6 Ų | 96.6 | 47% | 0.468 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64 | -51.2 | 175.1 | -68.7 | 178 | -163.9 | 109.6 | 8.8 | 110.8 | E177 Q178 K183 I184 D185 | E177-R181 WeakPolarHBondContact O-CG 3.31Å; E177-R181 PolarHBondContact O-N 3.27Å; E177-R181 IonicContact OE2-NH2 2.91Å; E177-R181 PolarHBondContact OE2-NH2 3.4Å; Q178-R181 WeakPolarHBondContact O-CB 3.34Å; Q178-R181 PolarHBondContact O-N 3.38Å; Q178-R181 VanDerWaalsContact O-N 3.11Å; R181-K183 VanDerWaalsContact C-N 3.28Å; R181-K183 PolarHBondContact O-N 3.46Å; R181-I184 WeakPolarHBondContact O-CB 3.48Å; R181-I184 PolarHBondContact O-N 3.17Å; R181-D185 PolarHBondContact O-N 3.04Å |
| 182 | E | 97.5 | Very high | 97.8 | Very high | 84 Ų | 84 | 99.3 Ų | 99.3 | 39% | 0.393 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.6 | -39.4 | 178.1 | -71.6 | 171.5 | -170.7 | 0 | 0 | 112.2 | Q178 D185 L186 | Q178-E182 WeakPolarHBondContact CG-OE1 3.26Å; Q178-E182 PolarHBondContact NE2-OE1 3.38Å; Q178-E182 WeakPolarHBondContact O-CG 3.4Å; Q178-E182 PolarHBondContact O-N 2.86Å; E182-D185 PolarHBondContact O-N 2.85Å; E182-L186 WeakPolarHBondContact O-CB 3.36Å; E182-L186 VanDerWaalsContact O-CG 3.32Å; E182-L186 WeakPolarHBondContact O-CG 3.4Å; E182-L186 PolarHBondContact O-N 3.47Å |
| 183 | K | 97.8 | Very high | 97.7 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 173.7 | 177.2 | -179.6 | 176.8 | -72.3 | 0 | 111.5 | L179 R181 D185 L186 E187 | L179-K183 WeakPolarHBondContact O-CB 3.41Å; L179-K183 PolarHBondContact O-N 2.88Å; R181-K183 VanDerWaalsContact C-N 3.28Å; R181-K183 PolarHBondContact O-N 3.46Å; K183-D185 VanDerWaalsContact C-N 3.33Å; K183-L186 PolarHBondContact O-N 3.24Å; K183-E187 WeakPolarHBondContact CE-OE1 3.48Å; K183-E187 IonicContact NZ-OE1 3.07Å; K183-E187 PolarHBondContact NZ-OE1 2.96Å; K183-E187 IonicContact NZ-OE2 2.78Å; K183-E187 PolarHBondContact NZ-OE2 2.92Å; K183-E187 WeakPolarHBondContact O-CB 3.38Å; K183-E187 VanDerWaalsContact O-CG 3.31Å; K183-E187 WeakPolarHBondContact O-CG 3.42Å; K183-E187 PolarHBondContact O-N 3.23Å |
| 184 | I | 98.3 | Very high | 97.7 | Very high | 88 Ų | 88 | 99.7 Ų | 99.7 | 45% | 0.451 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 178.1 | -68.7 | 163.9 | 0 | 0 | 0 | 110.4 | R180 R181 L186 E187 N188 | R180-I184 WeakPolarHBondContact O-CD1 3.34Å; R180-I184 VanDerWaalsContact O-CG1 3.3Å; R180-I184 WeakPolarHBondContact O-CG1 3.31Å; R180-I184 PolarHBondContact O-N 2.9Å; R180-I184 VanDerWaalsContact O-N 3.14Å; R181-I184 WeakPolarHBondContact O-CB 3.48Å; R181-I184 PolarHBondContact O-N 3.17Å; I184-L186 VanDerWaalsContact C-N 3.35Å; I184-L186 PolarHBondContact O-N 3.44Å; I184-E187 PolarHBondContact O-N 3.39Å; I184-N188 WeakPolarHBondContact O-CB 3.48Å; I184-N188 VanDerWaalsContact O-CG 3.23Å; I184-N188 PolarHBondContact O-N 2.88Å; I184-N188 PolarHBondContact O-ND2 3.42Å |
| 185 | D | 97.3 | Very high | 97.6 | Very high | 95 Ų | 95 | 100 Ų | 100 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 179.5 | -66.3 | -24.9 | 0 | 0 | 0 | 112.2 | R181 E182 K183 T189 | R181-D185 PolarHBondContact O-N 3.04Å; E182-D185 PolarHBondContact O-N 2.85Å; K183-D185 VanDerWaalsContact C-N 3.33Å; D185-T189 WeakPolarHBondContact O-CB 3.29Å; D185-T189 PolarHBondContact O-N 2.88Å; D185-T189 PolarHBondContact O-OG1 3.02Å |
| 186 | L | 97.7 | Very high | 97.5 | Very high | 124 Ų | 124 | 98 Ų | 98 | 65% | 0.649 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 173.5 | -71.2 | 174.5 | 0 | 0 | 0 | 112.1 | E182 K183 I184 T189 L190 | E182-L186 WeakPolarHBondContact O-CB 3.36Å; E182-L186 VanDerWaalsContact O-CG 3.32Å; E182-L186 WeakPolarHBondContact O-CG 3.4Å; E182-L186 PolarHBondContact O-N 3.47Å; K183-L186 PolarHBondContact O-N 3.24Å; I184-L186 VanDerWaalsContact C-N 3.35Å; I184-L186 PolarHBondContact O-N 3.44Å; L186-T189 PolarHBondContact O-N 3.44Å; L186-L190 VanDerWaalsContact O-CB 3.29Å; L186-L190 WeakPolarHBondContact O-CB 3.45Å; L186-L190 PolarHBondContact O-N 3.44Å |
| 187 | E | 96.7 | Very high | 97.4 | Very high | 93 Ų | 93 | 98 Ų | 98 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.8 | -75.5 | 174.3 | 148.8 | 0 | 0 | 110.9 | K183 I184 L190 E191 | K183-E187 WeakPolarHBondContact CE-OE1 3.48Å; K183-E187 IonicContact NZ-OE1 3.07Å; K183-E187 PolarHBondContact NZ-OE1 2.96Å; K183-E187 IonicContact NZ-OE2 2.78Å; K183-E187 PolarHBondContact NZ-OE2 2.92Å; K183-E187 WeakPolarHBondContact O-CB 3.38Å; K183-E187 VanDerWaalsContact O-CG 3.31Å; K183-E187 WeakPolarHBondContact O-CG 3.42Å; K183-E187 PolarHBondContact O-N 3.23Å; I184-E187 PolarHBondContact O-N 3.39Å; E187-L190 PolarHBondContact O-N 2.96Å; E187-E191 WeakPolarHBondContact O-CB 3.48Å; E187-E191 PolarHBondContact O-N 3.01Å |
| 188 | N | 97.7 | Very high | 97.4 | Very high | 70 Ų | 70 | 99 Ų | 99 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 176.2 | -69.9 | -24.5 | 0 | 0 | 0 | 112.5 | I184 L190 E191 Q192 | I184-N188 WeakPolarHBondContact O-CB 3.48Å; I184-N188 VanDerWaalsContact O-CG 3.23Å; I184-N188 PolarHBondContact O-N 2.88Å; I184-N188 PolarHBondContact O-ND2 3.42Å; N188-L190 VanDerWaalsContact C-N 3.35Å; N188-E191 PolarHBondContact O-N 3.18Å; N188-Q192 VanDerWaalsContact O-CG 3.28Å; N188-Q192 WeakPolarHBondContact O-CG 3.33Å; N188-Q192 PolarHBondContact O-N 3.05Å |
| 189 | T | 97.4 | Very high | 97.3 | Very high | 67 Ų | 67 | 99.3 Ų | 99.3 | 41% | 0.411 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -44 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | D185 L186 Q192 E193 | D185-T189 WeakPolarHBondContact O-CB 3.29Å; D185-T189 PolarHBondContact O-N 2.88Å; D185-T189 PolarHBondContact O-OG1 3.02Å; L186-T189 PolarHBondContact O-N 3.44Å; T189-Q192 PolarHBondContact O-N 3.44Å; T189-E193 WeakPolarHBondContact O-CG 3.48Å; T189-E193 PolarHBondContact O-N 3.04Å |
| 190 | L | 97.9 | Very high | 97.3 | Very high | 91 Ų | 91 | 102.6 Ų | 102.6 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 177.5 | -179.2 | 65 | 0 | 0 | 0 | 111.5 | L186 E187 N188 E193 Q194 | L186-L190 VanDerWaalsContact O-CB 3.29Å; L186-L190 WeakPolarHBondContact O-CB 3.45Å; L186-L190 PolarHBondContact O-N 3.44Å; E187-L190 PolarHBondContact O-N 2.96Å; N188-L190 VanDerWaalsContact C-N 3.35Å; L190-E193 PolarHBondContact O-N 3.12Å; L190-Q194 VanDerWaalsContact O-CG 3.29Å; L190-Q194 WeakPolarHBondContact O-CG 3.46Å; L190-Q194 PolarHBondContact O-N 3.39Å |
| 191 | E | 96.3 | Very high | 97.2 | Very high | 109 Ų | 109 | 100.1 Ų | 100.1 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 176 | -172.6 | 168.3 | -155.1 | 0 | 0 | 111.3 | E187 N188 E193 Q194 E195 | E187-E191 WeakPolarHBondContact O-CB 3.48Å; E187-E191 PolarHBondContact O-N 3.01Å; N188-E191 PolarHBondContact O-N 3.18Å; E191-E193 VanDerWaalsContact C-N 3.35Å; E191-E193 PolarHBondContact O-N 2.83Å; E191-Q194 WeakPolarHBondContact O-CB 3.37Å; E191-Q194 PolarHBondContact O-N 3.36Å; E191-E195 WeakPolarHBondContact O-CG 3.36Å; E191-E195 PolarHBondContact O-N 2.85Å |
| 192 | Q | 96.9 | Very high | 97.1 | Very high | 124 Ų | 124 | 101.8 Ų | 101.8 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.4 | -41 | 175.3 | -72.1 | 171.8 | 24.1 | 0 | 0 | 112.8 | N188 T189 A196 | N188-Q192 VanDerWaalsContact O-CG 3.28Å; N188-Q192 WeakPolarHBondContact O-CG 3.33Å; N188-Q192 PolarHBondContact O-N 3.05Å; T189-Q192 PolarHBondContact O-N 3.44Å; Q192-A196 WeakPolarHBondContact O-CB 3.43Å; Q192-A196 PolarHBondContact O-N 3.48Å |
| 193 | E | 96.6 | Very high | 97.1 | Very high | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 175.7 | -75.2 | -175 | 171.7 | 0 | 0 | 112 | T189 L190 E191 A196 L197 | T189-E193 WeakPolarHBondContact O-CG 3.48Å; T189-E193 PolarHBondContact O-N 3.04Å; L190-E193 PolarHBondContact O-N 3.12Å; E191-E193 VanDerWaalsContact C-N 3.35Å; E191-E193 PolarHBondContact O-N 2.83Å; E193-A196 PolarHBondContact O-N 3.02Å; E193-L197 WeakPolarHBondContact O-CB 3.43Å; E193-L197 PolarHBondContact O-N 3.32Å |
| 194 | Q | 97.4 | Very high | 97 | Very high | 113 Ų | 113 | 108 Ų | 108 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 175.2 | -72.9 | 176.6 | 16.4 | 0 | 0 | 111 | L190 E191 A196 L197 V198 | L190-Q194 VanDerWaalsContact O-CG 3.29Å; L190-Q194 WeakPolarHBondContact O-CG 3.46Å; L190-Q194 PolarHBondContact O-N 3.39Å; E191-Q194 WeakPolarHBondContact O-CB 3.37Å; E191-Q194 PolarHBondContact O-N 3.36Å; Q194-A196 VanDerWaalsContact C-N 3.34Å; Q194-A196 PolarHBondContact O-N 2.91Å; Q194-L197 PolarHBondContact O-N 3.18Å; Q194-L197 VanDerWaalsContact O-N 3.15Å; Q194-V198 WeakPolarHBondContact O-CG2 3.38Å; Q194-V198 PolarHBondContact O-N 3.48Å |
| 195 | E | 96.4 | Very high | 96.8 | Very high | 108 Ų | 108 | 108.6 Ų | 108.6 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.1 | -44.5 | 175.3 | -72.3 | -175.9 | 167.6 | 0 | 0 | 111.7 | E191 L197 V198 N199 | E191-E195 WeakPolarHBondContact O-CG 3.36Å; E191-E195 PolarHBondContact O-N 2.85Å; E195-L197 VanDerWaalsContact C-N 3.3Å; E195-L197 PolarHBondContact O-N 3.01Å; E195-V198 PolarHBondContact O-N 3.39Å; E195-N199 VanDerWaalsContact O-CB 3.28Å; E195-N199 WeakPolarHBondContact O-CB 3.34Å; E195-N199 VanDerWaalsContact O-CG 3.23Å; E195-N199 PolarHBondContact O-N 2.88Å; E195-N199 PolarHBondContact O-ND2 3.03Å |
| 196 | A | 96.3 | Very high | 96.6 | Very high | 44 Ų | 44 | 107.5 Ų | 107.5 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q192 E193 Q194 R200 | Q192-A196 WeakPolarHBondContact O-CB 3.43Å; Q192-A196 PolarHBondContact O-N 3.48Å; E193-A196 PolarHBondContact O-N 3.02Å; Q194-A196 VanDerWaalsContact C-N 3.34Å; Q194-A196 PolarHBondContact O-N 2.91Å; A196-R200 WeakPolarHBondContact O-CB 3.38Å; A196-R200 WeakPolarHBondContact O-CG 3.39Å; A196-R200 PolarHBondContact O-N 3.21Å; A196-R200 PolarHBondContact O-NE 2.87Å |
| 197 | L | 97.2 | Very high | 96.4 | Very high | 89 Ų | 89 | 107.9 Ų | 107.9 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.1 | -46.1 | 174.3 | -176.1 | 143.7 | 0 | 0 | 0 | 111.3 | E193 Q194 E195 N199 R200 L201 | E193-L197 WeakPolarHBondContact O-CB 3.43Å; E193-L197 PolarHBondContact O-N 3.32Å; Q194-L197 PolarHBondContact O-N 3.18Å; Q194-L197 VanDerWaalsContact O-N 3.15Å; E195-L197 VanDerWaalsContact C-N 3.3Å; E195-L197 PolarHBondContact O-N 3.01Å; L197-N199 VanDerWaalsContact C-N 3.31Å; L197-N199 PolarHBondContact O-N 3.41Å; L197-R200 WeakPolarHBondContact O-CB 3.42Å; L197-R200 PolarHBondContact O-N 3.36Å; L197-R200 VanDerWaalsContact O-N 3.13Å; L197-L201 HydrophobicContact CD2-CD1 3.56Å; L197-L201 HydrophobicContact CD2-CG 4.14Å; L197-L201 WeakPolarHBondContact O-CG 3.38Å; L197-L201 PolarHBondContact O-N 2.9Å |
| 198 | V | 97.2 | Very high | 96.3 | Very high | 82 Ų | 82 | 107.9 Ų | 107.9 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.9 | -47.9 | 174.7 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | Q194 E195 R200 L201 W202 | Q194-V198 WeakPolarHBondContact O-CG2 3.38Å; Q194-V198 PolarHBondContact O-N 3.48Å; E195-V198 PolarHBondContact O-N 3.39Å; V198-R200 VanDerWaalsContact C-N 3.31Å; V198-R200 PolarHBondContact O-N 3.46Å; V198-L201 PolarHBondContact O-N 2.74Å; V198-W202 VanDerWaalsContact O-CB 3.3Å; V198-W202 WeakPolarHBondContact O-CB 3.3Å; V198-W202 PolarHBondContact O-N 2.93Å |
| 199 | N | 97 | Very high | 96 | Very high | 92 Ų | 92 | 110 Ų | 110 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.4 | -39.3 | 176.3 | -77.1 | -37.5 | 0 | 0 | 0 | 112.6 | E195 L197 K203 | E195-N199 VanDerWaalsContact O-CB 3.28Å; E195-N199 WeakPolarHBondContact O-CB 3.34Å; E195-N199 VanDerWaalsContact O-CG 3.23Å; E195-N199 PolarHBondContact O-N 2.88Å; E195-N199 PolarHBondContact O-ND2 3.03Å; L197-N199 VanDerWaalsContact C-N 3.31Å; L197-N199 PolarHBondContact O-N 3.41Å; N199-K203 WeakPolarHBondContact O-CB 3.47Å; N199-K203 VanDerWaalsContact O-CG 3.3Å; N199-K203 WeakPolarHBondContact O-CG 3.27Å; N199-K203 PolarHBondContact O-N 2.92Å |
| 200 | R | 96.9 | Very high | 95.7 | Very high | 166 Ų | 166 | 109 Ų | 109 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.2 | -44.6 | 175.4 | -83.2 | -177.1 | -76 | 175.9 | -4.9 | 112.3 | A196 L197 V198 K203 R204 | A196-R200 WeakPolarHBondContact O-CB 3.38Å; A196-R200 WeakPolarHBondContact O-CG 3.39Å; A196-R200 PolarHBondContact O-N 3.21Å; A196-R200 PolarHBondContact O-NE 2.87Å; L197-R200 WeakPolarHBondContact O-CB 3.42Å; L197-R200 PolarHBondContact O-N 3.36Å; L197-R200 VanDerWaalsContact O-N 3.13Å; V198-R200 VanDerWaalsContact C-N 3.31Å; V198-R200 PolarHBondContact O-N 3.46Å; R200-K203 PolarHBondContact O-N 2.88Å; R200-R204 WeakPolarHBondContact O-CB 3.47Å; R200-R204 PolarHBondContact O-N 3.42Å |
| 201 | L | 96.2 | Very high | 95.3 | Very high | 103 Ų | 103 | 108.3 Ų | 108.3 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.9 | -73.1 | 180 | 0 | 0 | 0 | 111.2 | L197 V198 R204 M205 | L197-L201 HydrophobicContact CD2-CD1 3.56Å; L197-L201 HydrophobicContact CD2-CG 4.14Å; L197-L201 WeakPolarHBondContact O-CG 3.38Å; L197-L201 PolarHBondContact O-N 2.9Å; V198-L201 PolarHBondContact O-N 2.74Å; L201-R204 PolarHBondContact O-N 2.9Å; L201-M205 WeakPolarHBondContact O-CB 3.48Å; L201-M205 PolarHBondContact O-N 3.46Å |
| 202 | W | 96.6 | Very high | 94.9 | Very high | 158 Ų | 158 | 110.2 Ų | 110.2 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.9 | -52.3 | 174.8 | -170.3 | -71 | 0 | 0 | 0 | 111.1 | V198 R204 M205 D206 | V198-W202 VanDerWaalsContact O-CB 3.3Å; V198-W202 WeakPolarHBondContact O-CB 3.3Å; V198-W202 PolarHBondContact O-N 2.93Å; W202-R204 VanDerWaalsContact C-N 3.29Å; W202-R204 PolarHBondContact O-N 3.28Å; W202-M205 CarbonylContact O-C 3.6Å; W202-M205 WeakPolarHBondContact O-CA 3.44Å; W202-M205 WeakPolarHBondContact O-CB 3.43Å; W202-M205 PolarHBondContact O-N 2.9Å; W202-M205 VanDerWaalsContact O-N 3.09Å; W202-D206 PolarHBondContact NE1-OD1 3.45Å; W202-D206 PolarHBondContact NE1-OD2 3.45Å; W202-D206 PolarHBondContact O-N 2.74Å |
| 203 | K | 96.6 | Very high | 94.5 | Very high | 152 Ų | 152 | 113.8 Ų | 113.8 | 66% | 0.661 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.9 | -38.2 | 176.5 | -75.1 | 176.7 | -178 | -179.5 | 0 | 113 | N199 R200 K207 | N199-K203 WeakPolarHBondContact O-CB 3.47Å; N199-K203 VanDerWaalsContact O-CG 3.3Å; N199-K203 WeakPolarHBondContact O-CG 3.27Å; N199-K203 PolarHBondContact O-N 2.92Å; R200-K203 PolarHBondContact O-N 2.88Å; K203-K207 VanDerWaalsContact O-CB 3.29Å; K203-K207 WeakPolarHBondContact O-CB 3.48Å; K203-K207 PolarHBondContact O-N 2.94Å |
| 204 | R | 95.7 | Very high | 93.9 | Very high | 176 Ų | 176 | 111.3 Ų | 111.3 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.9 | -39.4 | 176.5 | -173.5 | 174.9 | -177 | 161.4 | 0.7 | 111.2 | R200 L201 W202 K207 L208 | R200-R204 WeakPolarHBondContact O-CB 3.47Å; R200-R204 PolarHBondContact O-N 3.42Å; L201-R204 PolarHBondContact O-N 2.9Å; W202-R204 VanDerWaalsContact C-N 3.29Å; W202-R204 PolarHBondContact O-N 3.28Å; R204-K207 PolarHBondContact O-N 3.33Å; R204-L208 HydrophobicContact CG-CD1 4.21Å; R204-L208 WeakPolarHBondContact O-CB 3.46Å; R204-L208 VanDerWaalsContact O-CG 3.24Å; R204-L208 WeakPolarHBondContact O-CG 3.49Å; R204-L208 PolarHBondContact O-N 3.49Å |
| 205 | M | 93.8 | Very high | 93.2 | Very high | 101 Ų | 101 | 111.2 Ų | 111.2 | 50% | 0.498 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -53.7 | 173.8 | -177.1 | -173.2 | -70.9 | 0 | 0 | 110.2 | L201 W202 K207 L208 E209 | L201-M205 WeakPolarHBondContact O-CB 3.48Å; L201-M205 PolarHBondContact O-N 3.46Å; W202-M205 CarbonylContact O-C 3.6Å; W202-M205 WeakPolarHBondContact O-CA 3.44Å; W202-M205 WeakPolarHBondContact O-CB 3.43Å; W202-M205 PolarHBondContact O-N 2.9Å; W202-M205 VanDerWaalsContact O-N 3.09Å; M205-K207 VanDerWaalsContact C-N 3.25Å; M205-K207 PolarHBondContact O-N 3.45Å; M205-L208 CarbonylContact O-C 3.5Å; M205-L208 WeakPolarHBondContact O-CA 3.5Å; M205-L208 WeakPolarHBondContact O-CB 3.4Å; M205-L208 PolarHBondContact O-N 3.17Å; M205-E209 HydrophobicContact CG-CG 4.44Å; M205-E209 WeakPolarHBondContact O-CB 3.44Å; M205-E209 WeakPolarHBondContact O-CG 3.36Å; M205-E209 PolarHBondContact O-N 3.36Å |
| 206 | D | 94.3 | Very high | 92.3 | Very high | 71 Ų | 71 | 111.1 Ų | 111.1 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -53.9 | -43.5 | 175.8 | -75 | -12.5 | 0 | 0 | 0 | 111.5 | W202 E209 A210 | W202-D206 PolarHBondContact NE1-OD1 3.45Å; W202-D206 PolarHBondContact NE1-OD2 3.45Å; W202-D206 PolarHBondContact O-N 2.74Å; D206-E209 PolarHBondContact O-N 3.42Å; D206-A210 WeakPolarHBondContact O-CB 3.29Å; D206-A210 PolarHBondContact O-N 3.17Å |
| 207 | K | 94.1 | Very high | 91.3 | Very high | 133 Ų | 133 | 114.4 Ų | 114.4 | 58% | 0.578 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64 | -45.4 | 176.5 | -170.5 | -176.4 | -177.6 | -162.9 | 0 | 111.7 | K203 R204 M205 E209 A210 E211 | K203-K207 VanDerWaalsContact O-CB 3.29Å; K203-K207 WeakPolarHBondContact O-CB 3.48Å; K203-K207 PolarHBondContact O-N 2.94Å; R204-K207 PolarHBondContact O-N 3.33Å; M205-K207 VanDerWaalsContact C-N 3.25Å; M205-K207 PolarHBondContact O-N 3.45Å; K207-E209 VanDerWaalsContact C-N 3.32Å; K207-A210 PolarHBondContact O-N 2.95Å; K207-E211 WeakPolarHBondContact CE-OE1 3.28Å; K207-E211 IonicContact NZ-OE1 3.96Å; K207-E211 WeakPolarHBondContact O-CB 3.33Å; K207-E211 WeakPolarHBondContact O-CG 3.45Å; K207-E211 PolarHBondContact O-N 3.38Å |
| 208 | L | 93.3 | Very high | 89.8 | Confident | 92 Ų | 92 | 116.1 Ų | 116.1 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.1 | -35.8 | 176.5 | -75.7 | 171.7 | 0 | 0 | 0 | 111.8 | R204 M205 K212 | R204-L208 HydrophobicContact CG-CD1 4.21Å; R204-L208 WeakPolarHBondContact O-CB 3.46Å; R204-L208 VanDerWaalsContact O-CG 3.24Å; R204-L208 WeakPolarHBondContact O-CG 3.49Å; R204-L208 PolarHBondContact O-N 3.49Å; M205-L208 CarbonylContact O-C 3.5Å; M205-L208 WeakPolarHBondContact O-CA 3.5Å; M205-L208 WeakPolarHBondContact O-CB 3.4Å; M205-L208 PolarHBondContact O-N 3.17Å; L208-K212 WeakPolarHBondContact O-CB 3.49Å; L208-K212 PolarHBondContact O-N 3Å |
| 209 | E | 91.7 | Very high | 87.9 | Confident | 114 Ų | 114 | 118.7 Ų | 118.7 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 174.5 | -74.2 | -174.7 | 178.3 | 0 | 0 | 111.5 | M205 D206 K207 K212 R213 | M205-E209 HydrophobicContact CG-CG 4.44Å; M205-E209 WeakPolarHBondContact O-CB 3.44Å; M205-E209 WeakPolarHBondContact O-CG 3.36Å; M205-E209 PolarHBondContact O-N 3.36Å; D206-E209 PolarHBondContact O-N 3.42Å; K207-E209 VanDerWaalsContact C-N 3.32Å; E209-K212 PolarHBondContact O-N 3.28Å; E209-R213 WeakPolarHBondContact O-CB 3.35Å; E209-R213 PolarHBondContact O-N 2.85Å |
| 210 | A | 90.9 | Very high | 86.1 | Confident | 46 Ų | 46 | 120.5 Ų | 120.5 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.6 | -44.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D206 K207 R213 I214 | D206-A210 WeakPolarHBondContact O-CB 3.29Å; D206-A210 PolarHBondContact O-N 3.17Å; K207-A210 PolarHBondContact O-N 2.95Å; A210-R213 WeakPolarHBondContact O-CB 3.39Å; A210-R213 PolarHBondContact O-N 3Å; A210-I214 WeakPolarHBondContact O-CB 3.26Å; A210-I214 VanDerWaalsContact O-CG1 3.25Å; A210-I214 WeakPolarHBondContact O-CG1 3.46Å; A210-I214 PolarHBondContact O-N 2.83Å |
| 211 | E | 90.6 | Very high | 83.6 | Confident | 77 Ų | 77 | 118.3 Ų | 118.3 | 36% | 0.36 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 173.7 | -77.1 | 174.6 | -167.6 | 0 | 0 | 111.1 | K207 R213 I214 L215 | K207-E211 WeakPolarHBondContact CE-OE1 3.28Å; K207-E211 IonicContact NZ-OE1 3.96Å; K207-E211 WeakPolarHBondContact O-CB 3.33Å; K207-E211 WeakPolarHBondContact O-CG 3.45Å; K207-E211 PolarHBondContact O-N 3.38Å; E211-R213 VanDerWaalsContact C-N 3.33Å; E211-R213 PolarHBondContact O-N 3.47Å; E211-I214 PolarHBondContact O-N 3.43Å; E211-L215 WeakPolarHBondContact O-CA 3.21Å; E211-L215 WeakPolarHBondContact O-CB 3.45Å; E211-L215 VanDerWaalsContact O-CG 3.22Å; E211-L215 WeakPolarHBondContact O-CG 3.32Å; E211-L215 PolarHBondContact O-N 2.87Å |
| 212 | K | 87.2 | Confident | 81 | Confident | 149 Ų | 149 | 119.8 Ų | 119.8 | 65% | 0.648 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.9 | -42.9 | 173.4 | -178.3 | -175.2 | 175.5 | -173.3 | 0 | 110.7 | L208 E209 L215 Q216 | L208-K212 WeakPolarHBondContact O-CB 3.49Å; L208-K212 PolarHBondContact O-N 3Å; E209-K212 PolarHBondContact O-N 3.28Å; K212-L215 PolarHBondContact O-N 3.44Å; K212-Q216 WeakPolarHBondContact O-CB 3.49Å; K212-Q216 PolarHBondContact O-N 3.38Å |
| 213 | R | 89.5 | Confident | 78 | Confident | 199 Ų | 199 | 118.9 Ų | 118.9 | 75% | 0.751 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.5 | -44.5 | 176.4 | -173.4 | 178.8 | 179.4 | 174.8 | 0.4 | 111.9 | E209 A210 E211 Q216 E217 | E209-R213 WeakPolarHBondContact O-CB 3.35Å; E209-R213 PolarHBondContact O-N 2.85Å; A210-R213 WeakPolarHBondContact O-CB 3.39Å; A210-R213 PolarHBondContact O-N 3Å; E211-R213 VanDerWaalsContact C-N 3.33Å; E211-R213 PolarHBondContact O-N 3.47Å; R213-Q216 WeakPolarHBondContact O-CB 3.4Å; R213-Q216 PolarHBondContact O-N 3.2Å; R213-E217 WeakPolarHBondContact O-CB 3.37Å; R213-E217 PolarHBondContact O-N 3.04Å |
| 214 | I | 84.1 | Confident | 75 | Confident | 73 Ų | 73 | 117.8 Ų | 117.8 | 37% | 0.374 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.6 | -39.7 | 176.5 | -69.2 | 165.3 | 0 | 0 | 0 | 110.9 | A210 E211 Q216 E217 K218 | A210-I214 WeakPolarHBondContact O-CB 3.26Å; A210-I214 VanDerWaalsContact O-CG1 3.25Å; A210-I214 WeakPolarHBondContact O-CG1 3.46Å; A210-I214 PolarHBondContact O-N 2.83Å; E211-I214 PolarHBondContact O-N 3.43Å; I214-Q216 VanDerWaalsContact C-N 3.33Å; I214-E217 CarbonylContact O-C 3.51Å; I214-E217 WeakPolarHBondContact O-CB 3.37Å; I214-E217 PolarHBondContact O-N 3Å; I214-K218 HydrophobicContact CG2-CD 3.8Å; I214-K218 HydrophobicContact CG2-CG 4.07Å; I214-K218 WeakPolarHBondContact O-CA 3.47Å; I214-K218 WeakPolarHBondContact O-CB 3.3Å; I214-K218 VanDerWaalsContact O-CG 3.23Å; I214-K218 WeakPolarHBondContact O-CG 3.34Å; I214-K218 PolarHBondContact O-N 2.98Å |
| 215 | L | 82.3 | Confident | 72 | Confident | 111 Ų | 111 | 113.9 Ų | 113.9 | 58% | 0.581 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.2 | -34.6 | 175.7 | -76.8 | 172 | 0 | 0 | 0 | 110.7 | E211 K212 K218 L219 | E211-L215 WeakPolarHBondContact O-CA 3.21Å; E211-L215 WeakPolarHBondContact O-CB 3.45Å; E211-L215 VanDerWaalsContact O-CG 3.22Å; E211-L215 WeakPolarHBondContact O-CG 3.32Å; E211-L215 PolarHBondContact O-N 2.87Å; K212-L215 PolarHBondContact O-N 3.44Å; L215-K218 CarbonylContact O-C 3.53Å; L215-K218 PolarHBondContact O-N 3.09Å; L215-L219 WeakPolarHBondContact O-CB 3.39Å; L215-L219 PolarHBondContact O-N 3.34Å |
| 216 | Q | 77.9 | Confident | 69.9 | Low | 106 Ų | 106 | 114.7 Ų | 114.7 | 50% | 0.495 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.3 | -46.3 | 169.2 | -166.7 | 69.5 | 42.6 | 0 | 0 | 110.1 | K212 R213 I214 K218 L219 D220 | K212-Q216 WeakPolarHBondContact O-CB 3.49Å; K212-Q216 PolarHBondContact O-N 3.38Å; R213-Q216 WeakPolarHBondContact O-CB 3.4Å; R213-Q216 PolarHBondContact O-N 3.2Å; I214-Q216 VanDerWaalsContact C-N 3.33Å; Q216-K218 PolarHBondContact O-N 3.34Å; Q216-L219 PolarHBondContact O-N 3.03Å; Q216-D220 PolarHBondContact O-N 3.38Å; Q216-D220 VanDerWaalsContact O-N 3.08Å |
| 217 | E | 74.1 | Confident | 67.1 | Low | 112 Ų | 112 | 117.8 Ų | 117.8 | 52% | 0.523 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.6 | -34.6 | 175.8 | -173.6 | 176.5 | -165.7 | 0 | 0 | 113.2 | R213 I214 D220 Q221 | R213-E217 WeakPolarHBondContact O-CB 3.37Å; R213-E217 PolarHBondContact O-N 3.04Å; I214-E217 CarbonylContact O-C 3.51Å; I214-E217 WeakPolarHBondContact O-CB 3.37Å; I214-E217 PolarHBondContact O-N 3Å; E217-D220 CarbonylContact O-C 3.59Å; E217-D220 PolarHBondContact O-N 2.85Å; E217-Q221 PolarHBondContact O-N 3.11Å |
| 218 | K | 66.3 | Low | 64.2 | Low | 126 Ų | 126 | 117 Ų | 117 | 55% | 0.548 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -84.2 | -14.9 | 175.4 | -75.1 | -178.2 | 179.9 | -178.4 | 0 | 113.3 | I214 L215 Q216 | I214-K218 HydrophobicContact CG2-CD 3.8Å; I214-K218 HydrophobicContact CG2-CG 4.07Å; I214-K218 WeakPolarHBondContact O-CA 3.47Å; I214-K218 WeakPolarHBondContact O-CB 3.3Å; I214-K218 VanDerWaalsContact O-CG 3.23Å; I214-K218 WeakPolarHBondContact O-CG 3.34Å; I214-K218 PolarHBondContact O-N 2.98Å; L215-K218 CarbonylContact O-C 3.53Å; L215-K218 PolarHBondContact O-N 3.09Å; Q216-K218 PolarHBondContact O-N 3.34Å |
| 219 | L | 57.9 | Low | 62.4 | Low | 135 Ų | 135 | 118 Ų | 118 | 71% | 0.707 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.5 | -31.4 | 166.8 | -171.8 | 68.7 | 0 | 0 | 0 | 109.2 | L215 Q216 Q221 | L215-L219 WeakPolarHBondContact O-CB 3.39Å; L215-L219 PolarHBondContact O-N 3.34Å; Q216-L219 PolarHBondContact O-N 3.03Å; L219-Q221 PolarHBondContact O-N 2.94Å |
| 220 | D | 57.4 | Low | 59.9 | Low | 131 Ų | 131 | 124.6 Ų | 124.6 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -75.3 | 1.9 | 166.8 | -72.9 | -17.6 | 0 | 0 | 0 | 113.3 | Q216 E217 | Q216-D220 PolarHBondContact O-N 3.38Å; Q216-D220 VanDerWaalsContact O-N 3.08Å; E217-D220 CarbonylContact O-C 3.59Å; E217-D220 PolarHBondContact O-N 2.85Å |
| 221 | Q | 45 | Very low | 57.2 | Low | 120 Ų | 120 | 130.2 Ų | 130.2 | 56% | 0.561 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -131 | 143.7 | 175.1 | -92.3 | 177.8 | 28.7 | 0 | 0 | 112.5 | E217 L219 | E217-Q221 PolarHBondContact O-N 3.11Å; L219-Q221 PolarHBondContact O-N 2.94Å |
| 222 | P | 42.5 | Very low | 55 | Low | 134 Ų | 134 | 133 Ų | 133 | 87% | 0.87 | 72% | 0.72 | S | S | * | * | trans | -69.4 | 135.5 | -177.7 | 25.7 | -32.1 | 0 | 0 | 0 | 114 | ||||
| 223 | V | 32.8 | Very low | 52.6 | Low | 139 Ų | 139 | 131.7 Ų | 131.7 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | trans | -70.3 | 139.9 | -166.3 | 174.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 224 | S | 33.7 | Very low | 50.5 | Low | 128 Ų | 128 | 130.7 Ų | 130.7 | 90% | 0.895 | 74% | 0.736 | S | S | * | * | trans | -153.1 | 150 | 151.7 | -145.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 225 | A | 33.3 | Very low | 48.7 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | trans | -99.7 | 168.9 | -151.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 226 | P | 48.4 | Very low | 47.2 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -116.4 | 178.9 | -165.2 | 42.4 | -30.3 | 0 | 0 | 0 | 116.2 | ||||
| 227 | P | 36.2 | Very low | 46 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -140.9 | 170.2 | 146.4 | 35 | -16.5 | 0 | 0 | 0 | 116.8 | ||||
| 228 | S | 33.9 | Very low | 45.4 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -120.7 | -168.6 | -157.1 | -142.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 229 | P | 55.3 | Low | 45.5 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -114.4 | -176.4 | -132 | 23.7 | 4.2 | 0 | 0 | 0 | 113.5 | ||||
| 230 | R | 37.6 | Very low | 46.2 | Very low | 251 Ų | 251 | 136.2 Ų | 136.2 | 95% | 0.947 | 78% | 0.78 | S | S | * | * | trans | -138.7 | 155.5 | 172.1 | -77.8 | -169.4 | 177.7 | -175.1 | -0.6 | 115.4 | ||||
| 231 | D | 34.9 | Very low | 47 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -81.1 | 169.1 | -157.1 | -70.3 | -60.1 | 0 | 0 | 0 | 119.3 | ||||
| 232 | V | 44.4 | Very low | 48.5 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -76.2 | 150.7 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 233 | S | 36.7 | Very low | 50.2 | Low | 122 Ų | 122 | 133 Ų | 133 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -136.3 | 136.7 | 166.3 | -156 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 234 | M | 45.3 | Very low | 52.7 | Low | 177 Ų | 177 | 134.6 Ų | 134.6 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | -127.3 | 119.4 | -171.7 | -168.4 | 164.9 | 163.5 | 0 | 0 | 107.9 | ||||
| 235 | E | 46.7 | Very low | 55.2 | Low | 198 Ų | 198 | 133.3 Ų | 133.3 | 93% | 0.925 | 73% | 0.725 | S | S | * | * | trans | -86.5 | 149.1 | -176.3 | -75.1 | -158.6 | 156.3 | 0 | 0 | 113.2 | ||||
| 236 | I | 50 | Low | 57.8 | Low | 167 Ų | 167 | 132.7 Ų | 132.7 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -113.7 | 135.5 | -176.2 | -66 | 172.7 | 0 | 0 | 0 | 109.5 | ||||
| 237 | D | 53.3 | Low | 59.7 | Low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | trans | -63.7 | 146.5 | -173.7 | -77.9 | -45.5 | 0 | 0 | 0 | 116.3 | ||||
| 238 | S | 62.4 | Low | 62.3 | Low | 65 Ų | 65 | 134.2 Ų | 134.2 | 46% | 0.455 | 68% | 0.684 | S | S | . | * | trans | -71.2 | 146.8 | -170.6 | -164.3 | 0 | 0 | 0 | 0 | 115.8 | E240 N241 | S238-E240 VanDerWaalsContact C-N 3.32Å; S238-E240 PolarHBondContact O-N 2.97Å; S238-E240 VanDerWaalsContact O-N 3.15Å; S238-E240 PolarHBondContact OG-OE2 3.48Å; S238-N241 PolarHBondContact O-N 2.91Å | ||
| 239 | P | 67.4 | Low | 65.1 | Low | 96 Ų | 96 | 132.5 Ų | 132.5 | 62% | 0.623 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -54.8 | -27.9 | -178.4 | -27.9 | 35.3 | 0 | 0 | 0 | 117.4 | N241 M242 M243 | P239-N241 VanDerWaalsContact C-N 3.3Å; P239-N241 PolarHBondContact O-N 3.48Å; P239-M242 WeakPolarHBondContact O-CB 3.19Å; P239-M242 PolarHBondContact O-N 2.91Å; P239-M243 PolarHBondContact O-N 3.29Å |
| 240 | E | 72.3 | Confident | 66.8 | Low | 107 Ų | 107 | 133.9 Ų | 133.9 | 50% | 0.5 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -63.8 | -33 | 178.2 | -77.5 | 77.2 | -161.3 | 0 | 0 | 113.5 | S238 M242 M243 R244 | S238-E240 VanDerWaalsContact C-N 3.32Å; S238-E240 PolarHBondContact O-N 2.97Å; S238-E240 VanDerWaalsContact O-N 3.15Å; S238-E240 PolarHBondContact OG-OE2 3.48Å; E240-M242 VanDerWaalsContact C-N 3.3Å; E240-M242 PolarHBondContact O-N 3.3Å; E240-M243 PolarHBondContact O-N 3.11Å; E240-R244 PolarHBondContact O-N 3.01Å |
| 241 | N | 74.1 | Confident | 69.5 | Low | 89 Ų | 89 | 127 Ų | 127 | 48% | 0.476 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67 | -36.7 | 179.7 | -73.4 | -15 | 0 | 0 | 0 | 110.8 | S238 P239 M243 R244 H245 | S238-N241 PolarHBondContact O-N 2.91Å; P239-N241 VanDerWaalsContact C-N 3.3Å; P239-N241 PolarHBondContact O-N 3.48Å; N241-M243 PolarHBondContact O-N 3.47Å; N241-R244 PolarHBondContact O-N 3.18Å; N241-H245 PolarHBondContact O-N 3.38Å; N241-H245 VanDerWaalsContact O-N 3.14Å |
| 242 | M | 76.3 | Confident | 72.4 | Confident | 121 Ų | 121 | 121.9 Ų | 121.9 | 60% | 0.596 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.1 | -42.2 | 176.1 | -167.3 | 62.1 | 65.4 | 0 | 0 | 111.9 | P239 E240 R244 H245 I246 | P239-M242 WeakPolarHBondContact O-CB 3.19Å; P239-M242 PolarHBondContact O-N 2.91Å; E240-M242 VanDerWaalsContact C-N 3.3Å; E240-M242 PolarHBondContact O-N 3.3Å; M242-R244 PolarHBondContact O-N 3.33Å; M242-H245 WeakPolarHBondContact O-CB 3.29Å; M242-H245 PolarHBondContact O-N 3.3Å; M242-I246 HydrophobicContact CG-CD1 4.13Å; M242-I246 VanDerWaalsContact O-CG1 3.29Å; M242-I246 WeakPolarHBondContact O-CG1 3.13Å; M242-I246 PolarHBondContact O-N 2.93Å |
| 243 | M | 80.1 | Confident | 74.8 | Confident | 108 Ų | 108 | 118.8 Ų | 118.8 | 53% | 0.532 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68 | -32.8 | 179.8 | -76.6 | -165.7 | -69.9 | 0 | 0 | 114 | P239 E240 N241 R247 | P239-M243 PolarHBondContact O-N 3.29Å; E240-M243 PolarHBondContact O-N 3.11Å; N241-M243 PolarHBondContact O-N 3.47Å; M243-R247 PolarHBondContact O-N 3Å |
| 244 | R | 84.5 | Confident | 77.6 | Confident | 171 Ų | 171 | 119.4 Ų | 119.4 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.1 | -42.3 | 172.6 | -68.5 | -174.6 | -155.5 | 178.4 | 7.3 | 110.8 | E240 N241 M242 I246 R247 F248 | E240-R244 PolarHBondContact O-N 3.01Å; N241-R244 PolarHBondContact O-N 3.18Å; M242-R244 PolarHBondContact O-N 3.33Å; R244-I246 VanDerWaalsContact C-N 3.34Å; R244-I246 PolarHBondContact O-N 3.48Å; R244-R247 PolarHBondContact O-N 2.99Å; R244-F248 PolarHBondContact O-N 3.43Å; R244-F248 VanDerWaalsContact O-N 3.08Å |
| 245 | H | 86 | Confident | 80 | Confident | 102 Ų | 102 | 116.6 Ų | 116.6 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.1 | -42.1 | 177.4 | -170.3 | 61.8 | 0 | 0 | 0 | 112.1 | N241 M242 R247 F248 L249 | N241-H245 PolarHBondContact O-N 3.38Å; N241-H245 VanDerWaalsContact O-N 3.14Å; M242-H245 WeakPolarHBondContact O-CB 3.29Å; M242-H245 PolarHBondContact O-N 3.3Å; H245-R247 PolarHBondContact O-N 3.44Å; H245-F248 PolarHBondContact O-N 3.45Å; H245-L249 WeakPolarHBondContact O-CG 3.45Å; H245-L249 PolarHBondContact O-N 2.96Å |
| 246 | I | 87.3 | Confident | 82.2 | Confident | 80 Ų | 80 | 111.5 Ų | 111.5 | 41% | 0.41 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 177.1 | -69.1 | 164.1 | 0 | 0 | 0 | 112.2 | M242 R244 K250 | M242-I246 HydrophobicContact CG-CD1 4.13Å; M242-I246 VanDerWaalsContact O-CG1 3.29Å; M242-I246 WeakPolarHBondContact O-CG1 3.13Å; M242-I246 PolarHBondContact O-N 2.93Å; R244-I246 VanDerWaalsContact C-N 3.34Å; R244-I246 PolarHBondContact O-N 3.48Å; I246-K250 WeakPolarHBondContact O-CG 3.45Å; I246-K250 PolarHBondContact O-N 3.34Å |
| 247 | R | 89.3 | Confident | 84.4 | Confident | 161 Ų | 161 | 109.7 Ų | 109.7 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -46.8 | 176 | -96.6 | 179.4 | -73.3 | 167.1 | -5.7 | 111.8 | M243 R244 H245 L249 K250 D251 | M243-R247 PolarHBondContact O-N 3Å; R244-R247 PolarHBondContact O-N 2.99Å; H245-R247 PolarHBondContact O-N 3.44Å; R247-L249 VanDerWaalsContact C-N 3.31Å; R247-L249 PolarHBondContact O-N 3.41Å; R247-K250 PolarHBondContact O-N 2.9Å; R247-K250 VanDerWaalsContact O-N 3.09Å; R247-D251 PolarHBondContact O-N 3.15Å; R247-D251 VanDerWaalsContact O-N 3.11Å |
| 248 | F | 91.3 | Very high | 86.4 | Confident | 126 Ų | 126 | 109 Ų | 109 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.9 | -44.4 | 177 | 179.4 | -96.1 | 0 | 0 | 0 | 112.2 | R244 H245 K250 D251 E252 | R244-F248 PolarHBondContact O-N 3.43Å; R244-F248 VanDerWaalsContact O-N 3.08Å; H245-F248 PolarHBondContact O-N 3.45Å; F248-K250 VanDerWaalsContact C-N 3.31Å; F248-K250 PolarHBondContact O-N 3.31Å; F248-D251 PolarHBondContact O-N 2.98Å; F248-E252 VanDerWaalsContact O-CB 3.25Å; F248-E252 WeakPolarHBondContact O-CB 3.43Å; F248-E252 PolarHBondContact O-N 3.3Å |
| 249 | L | 91.9 | Very high | 87.8 | Confident | 82 Ų | 82 | 109 Ų | 109 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 176.9 | -72.1 | 175.7 | 0 | 0 | 0 | 112.9 | H245 R247 V253 | H245-L249 WeakPolarHBondContact O-CG 3.45Å; H245-L249 PolarHBondContact O-N 2.96Å; R247-L249 VanDerWaalsContact C-N 3.31Å; R247-L249 PolarHBondContact O-N 3.41Å; L249-V253 WeakPolarHBondContact O-CB 3.19Å; L249-V253 WeakPolarHBondContact O-CG2 3.44Å; L249-V253 PolarHBondContact O-N 3.32Å |
| 250 | K | 91.9 | Very high | 89.1 | Confident | 142 Ų | 142 | 109.2 Ų | 109.2 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.7 | -46.9 | 177.7 | -75.3 | 179.4 | 177.2 | -175.2 | 0 | 111.9 | I246 R247 F248 E252 V253 E254 | I246-K250 WeakPolarHBondContact O-CG 3.45Å; I246-K250 PolarHBondContact O-N 3.34Å; R247-K250 PolarHBondContact O-N 2.9Å; R247-K250 VanDerWaalsContact O-N 3.09Å; F248-K250 VanDerWaalsContact C-N 3.31Å; F248-K250 PolarHBondContact O-N 3.31Å; K250-E252 VanDerWaalsContact C-N 3.29Å; K250-E252 PolarHBondContact O-N 2.92Å; K250-V253 PolarHBondContact O-N 2.93Å; K250-E254 PolarHBondContact O-N 3.34Å |
| 251 | D | 94.1 | Very high | 90.3 | Very high | 107 Ų | 107 | 111.8 Ų | 111.8 | 57% | 0.572 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 178 | -64 | -16.4 | 0 | 0 | 0 | 110.7 | R247 F248 E254 R255 | R247-D251 PolarHBondContact O-N 3.15Å; R247-D251 VanDerWaalsContact O-N 3.11Å; F248-D251 PolarHBondContact O-N 2.98Å; D251-E254 PolarHBondContact O-N 3.1Å; D251-R255 WeakPolarHBondContact O-CB 3.41Å; D251-R255 PolarHBondContact O-N 2.98Å |
| 252 | E | 94.6 | Very high | 91.2 | Very high | 55 Ų | 55 | 110.5 Ų | 110.5 | 26% | 0.257 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 176.9 | -176.9 | 59.5 | -168.9 | 0 | 0 | 112.1 | F248 K250 E254 R255 L256 | F248-E252 VanDerWaalsContact O-CB 3.25Å; F248-E252 WeakPolarHBondContact O-CB 3.43Å; F248-E252 PolarHBondContact O-N 3.3Å; K250-E252 VanDerWaalsContact C-N 3.29Å; K250-E252 PolarHBondContact O-N 2.92Å; E252-E254 VanDerWaalsContact C-N 3.33Å; E252-E254 PolarHBondContact O-N 2.87Å; E252-R255 PolarHBondContact O-N 2.62Å; E252-R255 IonicContact OE1-CZ 2.87Å; E252-R255 IonicContact OE1-NE 2.67Å; E252-R255 IonicContact OE1-NH2 3.9Å; E252-R255 PolarHBondContact OE1-NH2 2.87Å; E252-R255 IonicContact OE2-CZ 2.85Å; E252-R255 IonicContact OE2-NE 3.33Å; E252-R255 PolarHBondContact OE2-NE 3.46Å; E252-R255 IonicContact OE2-NH2 2.62Å; E252-R255 PolarHBondContact OE2-NH2 3.04Å; E252-L256 HydrophobicContact CG-CD1 4.26Å; E252-L256 WeakPolarHBondContact O-CB 3.44Å; E252-L256 VanDerWaalsContact O-CG 3.25Å; E252-L256 WeakPolarHBondContact O-CG 3.46Å; E252-L256 PolarHBondContact O-N 3.14Å |
| 253 | V | 94.5 | Very high | 92 | Very high | 72 Ų | 72 | 107.9 Ų | 107.9 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 173.9 | 166.2 | 0 | 0 | 0 | 0 | 111.5 | L249 K250 L256 K257 | L249-V253 WeakPolarHBondContact O-CB 3.19Å; L249-V253 WeakPolarHBondContact O-CG2 3.44Å; L249-V253 PolarHBondContact O-N 3.32Å; K250-V253 PolarHBondContact O-N 2.93Å; V253-L256 PolarHBondContact O-N 2.9Å; V253-K257 HydrophobicContact CG1-CD 4.22Å; V253-K257 WeakPolarHBondContact O-CB 3.47Å; V253-K257 VanDerWaalsContact O-CG 3.31Å; V253-K257 WeakPolarHBondContact O-CG 3.3Å; V253-K257 PolarHBondContact O-N 3.3Å |
| 254 | E | 95.6 | Very high | 92.7 | Very high | 134 Ų | 134 | 107.7 Ų | 107.7 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67 | -40.8 | 177.4 | -168.6 | 168.8 | -173.1 | 0 | 0 | 111.8 | K250 D251 E252 K257 K258 | K250-E254 PolarHBondContact O-N 3.34Å; D251-E254 PolarHBondContact O-N 3.1Å; E252-E254 VanDerWaalsContact C-N 3.33Å; E252-E254 PolarHBondContact O-N 2.87Å; E254-K257 PolarHBondContact O-N 3.29Å; E254-K258 PolarHBondContact O-N 2.94Å |
| 255 | R | 95.8 | Very high | 93.2 | Very high | 119 Ų | 119 | 105.2 Ų | 105.2 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 172.6 | -168.5 | -173 | 73.6 | 83.5 | 3.9 | 111.7 | D251 E252 K257 K258 N259 | D251-R255 WeakPolarHBondContact O-CB 3.41Å; D251-R255 PolarHBondContact O-N 2.98Å; E252-R255 PolarHBondContact O-N 2.62Å; E252-R255 IonicContact OE1-CZ 2.87Å; E252-R255 IonicContact OE1-NE 2.67Å; E252-R255 IonicContact OE1-NH2 3.9Å; E252-R255 PolarHBondContact OE1-NH2 2.87Å; E252-R255 IonicContact OE2-CZ 2.85Å; E252-R255 IonicContact OE2-NE 3.33Å; E252-R255 PolarHBondContact OE2-NE 3.46Å; E252-R255 IonicContact OE2-NH2 2.62Å; E252-R255 PolarHBondContact OE2-NH2 3.04Å; R255-K257 PolarHBondContact O-N 3.33Å; R255-K258 PolarHBondContact O-N 3.25Å; R255-N259 PolarHBondContact NH1-ND2 3.48Å; R255-N259 PolarHBondContact O-N 3.4Å |
| 256 | L | 94.2 | Very high | 93.6 | Very high | 90 Ų | 90 | 106.5 Ų | 106.5 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 177 | -72.1 | 172.2 | 0 | 0 | 0 | 111.8 | E252 V253 K258 N259 L260 | E252-L256 HydrophobicContact CG-CD1 4.26Å; E252-L256 WeakPolarHBondContact O-CB 3.44Å; E252-L256 VanDerWaalsContact O-CG 3.25Å; E252-L256 WeakPolarHBondContact O-CG 3.46Å; E252-L256 PolarHBondContact O-N 3.14Å; V253-L256 PolarHBondContact O-N 2.9Å; L256-K258 VanDerWaalsContact C-N 3.34Å; L256-K258 PolarHBondContact O-N 2.83Å; L256-N259 PolarHBondContact O-N 3.15Å; L256-L260 WeakPolarHBondContact O-CB 3.41Å; L256-L260 PolarHBondContact O-N 3.1Å |
| 257 | K | 94.6 | Very high | 94 | Very high | 129 Ų | 129 | 108.7 Ų | 108.7 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -36.2 | 174.4 | -76.7 | 175.8 | 177.8 | -179.9 | 0 | 112.9 | V253 E254 R255 R261 | V253-K257 HydrophobicContact CG1-CD 4.22Å; V253-K257 WeakPolarHBondContact O-CB 3.47Å; V253-K257 VanDerWaalsContact O-CG 3.31Å; V253-K257 WeakPolarHBondContact O-CG 3.3Å; V253-K257 PolarHBondContact O-N 3.3Å; E254-K257 PolarHBondContact O-N 3.29Å; R255-K257 PolarHBondContact O-N 3.33Å; K257-R261 WeakPolarHBondContact O-CG 3.4Å; K257-R261 PolarHBondContact O-N 2.95Å; K257-R261 PolarHBondContact O-NE 2.9Å |
| 258 | K | 96 | Very high | 94.3 | Very high | 134 Ų | 134 | 105.4 Ų | 105.4 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.3 | -46.2 | 174.9 | -171.3 | 178.1 | 178.6 | -179.6 | 0 | 110.8 | E254 R255 L256 L260 R261 T262 | E254-K258 PolarHBondContact O-N 2.94Å; R255-K258 PolarHBondContact O-N 3.25Å; L256-K258 VanDerWaalsContact C-N 3.34Å; L256-K258 PolarHBondContact O-N 2.83Å; K258-L260 VanDerWaalsContact C-N 3.33Å; K258-L260 PolarHBondContact O-N 2.67Å; K258-R261 PolarHBondContact O-N 2.96Å; K258-T262 PolarHBondContact O-N 3.41Å; K258-T262 PolarHBondContact O-OG1 2.9Å |
| 259 | N | 92.9 | Very high | 94.4 | Very high | 65 Ų | 65 | 104.8 Ų | 104.8 | 35% | 0.348 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 178.1 | -72.6 | -8.5 | 0 | 0 | 0 | 112.8 | R255 L256 T262 T263 | R255-N259 PolarHBondContact NH1-ND2 3.48Å; R255-N259 PolarHBondContact O-N 3.4Å; L256-N259 PolarHBondContact O-N 3.15Å; N259-T262 WeakPolarHBondContact CA-OG1 3.48Å; N259-T262 PolarHBondContact O-OG1 2.98Å; N259-T263 WeakPolarHBondContact O-CB 3.31Å; N259-T263 PolarHBondContact O-N 3.44Å; N259-T263 PolarHBondContact O-OG1 3.22Å |
| 260 | L | 94.8 | Very high | 94.6 | Very high | 100 Ų | 100 | 106 Ų | 106 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -51.2 | 174.8 | -178.1 | 61.9 | 0 | 0 | 0 | 110.8 | L256 K258 T262 T263 E264 | L256-L260 WeakPolarHBondContact O-CB 3.41Å; L256-L260 PolarHBondContact O-N 3.1Å; K258-L260 VanDerWaalsContact C-N 3.33Å; K258-L260 PolarHBondContact O-N 2.67Å; L260-T262 VanDerWaalsContact C-N 3.33Å; L260-T262 PolarHBondContact O-N 3.44Å; L260-T263 PolarHBondContact O-N 3.2Å; L260-T263 VanDerWaalsContact O-N 3.13Å; L260-E264 HydrophobicContact CD1-CG 4.32Å; L260-E264 HydrophobicContact CG-CG 4.46Å; L260-E264 WeakPolarHBondContact O-CG 3.47Å; L260-E264 PolarHBondContact O-N 3.15Å |
| 261 | R | 96.5 | Very high | 94.5 | Very high | 160 Ų | 160 | 107.5 Ų | 107.5 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59 | -41.2 | 178.5 | -74.1 | -176.6 | -74 | 171.2 | -4.2 | 113 | K257 K258 L265 | K257-R261 WeakPolarHBondContact O-CG 3.4Å; K257-R261 PolarHBondContact O-N 2.95Å; K257-R261 PolarHBondContact O-NE 2.9Å; K258-R261 PolarHBondContact O-N 2.96Å; R261-L265 WeakPolarHBondContact O-CB 3.29Å; R261-L265 PolarHBondContact O-N 3.36Å |
| 262 | T | 93.9 | Very high | 94.4 | Very high | 63 Ų | 63 | 105.1 Ų | 105.1 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 177.4 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | K258 N259 L260 L265 Q266 | K258-T262 PolarHBondContact O-N 3.41Å; K258-T262 PolarHBondContact O-OG1 2.9Å; N259-T262 WeakPolarHBondContact CA-OG1 3.48Å; N259-T262 PolarHBondContact O-OG1 2.98Å; L260-T262 VanDerWaalsContact C-N 3.33Å; L260-T262 PolarHBondContact O-N 3.44Å; T262-L265 PolarHBondContact O-N 2.89Å; T262-Q266 WeakPolarHBondContact O-CB 3.44Å; T262-Q266 VanDerWaalsContact O-CG 3.3Å; T262-Q266 WeakPolarHBondContact O-CG 3.35Å; T262-Q266 PolarHBondContact O-N 2.72Å |
| 263 | T | 92.3 | Very high | 94.3 | Very high | 66 Ų | 66 | 107.2 Ų | 107.2 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 178.2 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | N259 L260 Q266 H267 | N259-T263 WeakPolarHBondContact O-CB 3.31Å; N259-T263 PolarHBondContact O-N 3.44Å; N259-T263 PolarHBondContact O-OG1 3.22Å; L260-T263 PolarHBondContact O-N 3.2Å; L260-T263 VanDerWaalsContact O-N 3.13Å; T263-Q266 PolarHBondContact O-N 3.03Å; T263-H267 WeakPolarHBondContact O-CB 3.39Å; T263-H267 PolarHBondContact O-CD2 3.06Å; T263-H267 PolarHBondContact O-N 3.35Å |
| 264 | E | 94.1 | Very high | 94.2 | Very high | 104 Ų | 104 | 110.2 Ų | 110.2 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.4 | -72.7 | 172.7 | 162 | 0 | 0 | 112.1 | L260 H267 T268 | L260-E264 HydrophobicContact CD1-CG 4.32Å; L260-E264 HydrophobicContact CG-CG 4.46Å; L260-E264 WeakPolarHBondContact O-CG 3.47Å; L260-E264 PolarHBondContact O-N 3.15Å; E264-H267 PolarHBondContact O-N 2.82Å; E264-T268 WeakPolarHBondContact O-CB 3.28Å; E264-T268 PolarHBondContact O-N 3.34Å; E264-T268 PolarHBondContact O-OG1 3.47Å |
| 265 | L | 96.3 | Very high | 94.1 | Very high | 118 Ų | 118 | 108.8 Ų | 108.8 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -48.2 | 176.8 | -175.8 | 65.2 | 0 | 0 | 0 | 111.1 | R261 T262 H267 T268 E269 | R261-L265 WeakPolarHBondContact O-CB 3.29Å; R261-L265 PolarHBondContact O-N 3.36Å; T262-L265 PolarHBondContact O-N 2.89Å; L265-H267 VanDerWaalsContact C-N 3.32Å; L265-H267 PolarHBondContact O-N 2.91Å; L265-T268 WeakPolarHBondContact O-CB 3.44Å; L265-T268 PolarHBondContact O-N 3Å; L265-T268 VanDerWaalsContact O-N 3.12Å; L265-E269 WeakPolarHBondContact O-CB 3.48Å; L265-E269 PolarHBondContact O-N 2.69Å |
| 266 | Q | 94.1 | Very high | 94 | Very high | 129 Ų | 129 | 107.6 Ų | 107.6 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.4 | -41.1 | 176.8 | -75.8 | -180 | -13.4 | 0 | 0 | 112.2 | T262 T263 T268 K270 | T262-Q266 WeakPolarHBondContact O-CB 3.44Å; T262-Q266 VanDerWaalsContact O-CG 3.3Å; T262-Q266 WeakPolarHBondContact O-CG 3.35Å; T262-Q266 PolarHBondContact O-N 2.72Å; T263-Q266 PolarHBondContact O-N 3.03Å; Q266-T268 VanDerWaalsContact C-N 3.32Å; Q266-T268 PolarHBondContact O-N 2.85Å; Q266-K270 WeakPolarHBondContact O-CB 3.49Å; Q266-K270 PolarHBondContact O-N 3.18Å |
| 267 | H | 94.8 | Very high | 93.8 | Very high | 126 Ų | 126 | 108.6 Ų | 108.6 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -38.8 | 175.1 | -99.4 | -72.7 | 0 | 0 | 0 | 112.5 | T263 E264 L265 R271 | T263-H267 WeakPolarHBondContact O-CB 3.39Å; T263-H267 PolarHBondContact O-CD2 3.06Å; T263-H267 PolarHBondContact O-N 3.35Å; E264-H267 PolarHBondContact O-N 2.82Å; L265-H267 VanDerWaalsContact C-N 3.32Å; L265-H267 PolarHBondContact O-N 2.91Å; H267-R271 WeakPolarHBondContact O-CB 3.36Å; H267-R271 PolarHBondContact O-N 2.75Å |
| 268 | T | 95.3 | Very high | 93.6 | Very high | 92 Ų | 92 | 106.9 Ų | 106.9 | 56% | 0.564 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.5 | -46.6 | 179.1 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | E264 L265 Q266 R271 A272 | E264-T268 WeakPolarHBondContact O-CB 3.28Å; E264-T268 PolarHBondContact O-N 3.34Å; E264-T268 PolarHBondContact O-OG1 3.47Å; L265-T268 WeakPolarHBondContact O-CB 3.44Å; L265-T268 PolarHBondContact O-N 3Å; L265-T268 VanDerWaalsContact O-N 3.12Å; Q266-T268 VanDerWaalsContact C-N 3.32Å; Q266-T268 PolarHBondContact O-N 2.85Å; T268-R271 WeakPolarHBondContact O-CB 3.42Å; T268-R271 PolarHBondContact O-N 2.93Å; T268-A272 PolarHBondContact O-N 2.89Å |
| 269 | E | 94.6 | Very high | 93.5 | Very high | 114 Ų | 114 | 105.7 Ų | 105.7 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 176.9 | -173.6 | 176.2 | -164.4 | 0 | 0 | 111.5 | L265 R271 A272 Q273 | L265-E269 WeakPolarHBondContact O-CB 3.48Å; L265-E269 PolarHBondContact O-N 2.69Å; E269-R271 VanDerWaalsContact C-N 3.31Å; E269-R271 PolarHBondContact O-N 3.35Å; E269-A272 WeakPolarHBondContact O-CB 3.34Å; E269-A272 PolarHBondContact O-N 2.91Å; E269-A272 VanDerWaalsContact O-N 3.11Å; E269-Q273 WeakPolarHBondContact O-CG 3.44Å; E269-Q273 PolarHBondContact O-N 3.35Å |
| 270 | K | 94.9 | Very high | 93.6 | Very high | 108 Ų | 108 | 107.8 Ų | 107.8 | 47% | 0.47 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -37.3 | 176.6 | -170.2 | 170.7 | -174.6 | 172.3 | 0 | 112.4 | Q266 Q273 Y274 | Q266-K270 WeakPolarHBondContact O-CB 3.49Å; Q266-K270 PolarHBondContact O-N 3.18Å; K270-Q273 PolarHBondContact O-N 3.4Å; K270-Y274 HydrophobicContact CD-CE2 4.22Å; K270-Y274 WeakPolarHBondContact CE-OH 3.46Å; K270-Y274 HydrophobicContact CG-CD2 4.19Å; K270-Y274 HydrophobicContact CG-CE2 3.66Å; K270-Y274 WeakPolarHBondContact O-CD2 3.29Å; K270-Y274 PolarHBondContact O-N 3.42Å; K270-Y274 VanDerWaalsContact O-N 3.1Å |
| 271 | R | 90.8 | Very high | 93.4 | Very high | 173 Ų | 173 | 109.3 Ų | 109.3 | 65% | 0.653 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 173.2 | -172.1 | -172 | -58.6 | -142.4 | 1.6 | 111.3 | H267 T268 E269 Y274 I275 | H267-R271 WeakPolarHBondContact O-CB 3.36Å; H267-R271 PolarHBondContact O-N 2.75Å; T268-R271 WeakPolarHBondContact O-CB 3.42Å; T268-R271 PolarHBondContact O-N 2.93Å; E269-R271 VanDerWaalsContact C-N 3.31Å; E269-R271 PolarHBondContact O-N 3.35Å; R271-Y274 PolarHBondContact O-N 3.38Å; R271-I275 HydrophobicContact CG-CD1 4.3Å; R271-I275 WeakPolarHBondContact O-CG1 3.38Å; R271-I275 PolarHBondContact O-N 2.78Å; R271-I275 VanDerWaalsContact O-N 3.15Å |
| 272 | A | 92.6 | Very high | 93.3 | Very high | 57 Ų | 57 | 107.7 Ų | 107.7 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T268 E269 Y274 I275 E276 | T268-A272 PolarHBondContact O-N 2.89Å; E269-A272 WeakPolarHBondContact O-CB 3.34Å; E269-A272 PolarHBondContact O-N 2.91Å; E269-A272 VanDerWaalsContact O-N 3.11Å; A272-Y274 PolarHBondContact O-N 2.78Å; A272-I275 PolarHBondContact O-N 3.44Å; A272-E276 PolarHBondContact O-N 2.96Å |
| 273 | Q | 92.8 | Very high | 93.4 | Very high | 99 Ų | 99 | 109.3 Ų | 109.3 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 174.2 | -71.7 | 172.8 | 3.2 | 0 | 0 | 111.9 | E269 K270 I275 E276 E277 | E269-Q273 WeakPolarHBondContact O-CG 3.44Å; E269-Q273 PolarHBondContact O-N 3.35Å; K270-Q273 PolarHBondContact O-N 3.4Å; Q273-I275 VanDerWaalsContact C-N 3.3Å; Q273-I275 PolarHBondContact O-N 2.99Å; Q273-E276 PolarHBondContact O-N 3.11Å; Q273-E277 WeakPolarHBondContact O-CG 3.3Å; Q273-E277 PolarHBondContact O-N 3.38Å |
| 274 | Y | 90.8 | Very high | 93.5 | Very high | 134 Ų | 134 | 109.2 Ų | 109.2 | 53% | 0.525 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 177 | -73.8 | -51.2 | 0 | 0 | 0 | 113.3 | K270 R271 A272 E278 | K270-Y274 HydrophobicContact CD-CE2 4.22Å; K270-Y274 WeakPolarHBondContact CE-OH 3.46Å; K270-Y274 HydrophobicContact CG-CD2 4.19Å; K270-Y274 HydrophobicContact CG-CE2 3.66Å; K270-Y274 WeakPolarHBondContact O-CD2 3.29Å; K270-Y274 PolarHBondContact O-N 3.42Å; K270-Y274 VanDerWaalsContact O-N 3.1Å; R271-Y274 PolarHBondContact O-N 3.38Å; A272-Y274 PolarHBondContact O-N 2.78Å; Y274-E278 VanDerWaalsContact O-CB 3.29Å; Y274-E278 WeakPolarHBondContact O-CB 3.38Å; Y274-E278 PolarHBondContact O-N 2.94Å |
| 275 | I | 94.3 | Very high | 93.5 | Very high | 104 Ų | 104 | 109 Ų | 109 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 177.1 | -68 | 166 | 0 | 0 | 0 | 110.5 | R271 A272 Q273 E278 R279 | R271-I275 HydrophobicContact CG-CD1 4.3Å; R271-I275 WeakPolarHBondContact O-CG1 3.38Å; R271-I275 PolarHBondContact O-N 2.78Å; R271-I275 VanDerWaalsContact O-N 3.15Å; A272-I275 PolarHBondContact O-N 3.44Å; Q273-I275 VanDerWaalsContact C-N 3.3Å; Q273-I275 PolarHBondContact O-N 2.99Å; I275-E278 PolarHBondContact O-N 3Å; I275-R279 PolarHBondContact O-N 3.46Å |
| 276 | E | 94.2 | Very high | 93.6 | Very high | 95 Ų | 95 | 107.4 Ų | 107.4 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 178.1 | -170.6 | 63.5 | -152.1 | 0 | 0 | 111.7 | A272 Q273 E278 R279 H280 | A272-E276 PolarHBondContact O-N 2.96Å; Q273-E276 PolarHBondContact O-N 3.11Å; E276-E278 VanDerWaalsContact C-N 3.33Å; E276-E278 PolarHBondContact O-N 2.86Å; E276-R279 WeakPolarHBondContact O-CB 3.45Å; E276-R279 PolarHBondContact O-N 3.13Å; E276-R279 VanDerWaalsContact O-N 3.15Å; E276-R279 IonicContact OE1-CZ 3.28Å; E276-R279 IonicContact OE1-NH1 3.66Å; E276-R279 PolarHBondContact OE1-NH1 3.48Å; E276-R279 IonicContact OE1-NH2 3.75Å; E276-R279 PolarHBondContact OE1-NH2 3.26Å; E276-R279 IonicContact OE2-CZ 3.04Å; E276-R279 IonicContact OE2-NH1 3.24Å; E276-R279 PolarHBondContact OE2-NH1 3.12Å; E276-H280 PolarHBondContact O-N 2.95Å |
| 277 | E | 89.6 | Confident | 93.7 | Very high | 111 Ų | 111 | 107.4 Ų | 107.4 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.7 | -74.1 | 177.3 | -178.5 | 0 | 0 | 111.5 | Q273 R279 H280 M281 | Q273-E277 WeakPolarHBondContact O-CG 3.3Å; Q273-E277 PolarHBondContact O-N 3.38Å; E277-R279 VanDerWaalsContact C-N 3.32Å; E277-R279 PolarHBondContact O-N 2.72Å; E277-H280 PolarHBondContact O-N 2.87Å; E277-M281 WeakPolarHBondContact O-CG 3.45Å; E277-M281 PolarHBondContact O-N 3.41Å |
| 278 | E | 89.4 | Confident | 93.7 | Very high | 93 Ų | 93 | 106 Ų | 106 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 177.1 | -158.6 | -162.7 | -178.8 | 0 | 0 | 111.6 | Y274 I275 E276 R282 | Y274-E278 VanDerWaalsContact O-CB 3.29Å; Y274-E278 WeakPolarHBondContact O-CB 3.38Å; Y274-E278 PolarHBondContact O-N 2.94Å; I275-E278 PolarHBondContact O-N 3Å; E276-E278 VanDerWaalsContact C-N 3.33Å; E276-E278 PolarHBondContact O-N 2.86Å; E278-R282 WeakPolarHBondContact O-CG 3.35Å; E278-R282 PolarHBondContact O-N 2.96Å; E278-R282 VanDerWaalsContact O-N 3.1Å; E278-R282 PolarHBondContact O-NH1 3.42Å; E278-R282 IonicContact OE1-CZ 3.5Å; E278-R282 IonicContact OE1-NE 3.67Å; E278-R282 IonicContact OE1-NH1 3.39Å; E278-R282 IonicContact OE1-NH2 3.51Å; E278-R282 PolarHBondContact OE1-NH2 2.9Å; E278-R282 IonicContact OE2-CZ 3.74Å; E278-R282 IonicContact OE2-NH1 3.92Å; E278-R282 PolarHBondContact OE2-NH1 2.78Å; E278-R282 IonicContact OE2-NH2 3.83Å; E278-R282 PolarHBondContact OE2-NH2 3.39Å |
| 279 | R | 95.5 | Very high | 93.7 | Very high | 108 Ų | 108 | 107.7 Ų | 107.7 | 41% | 0.408 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -49 | 173.3 | -160.7 | -171.5 | 82.4 | -113.8 | -10.7 | 110.8 | I275 E276 E277 M281 R282 E283 | I275-R279 PolarHBondContact O-N 3.46Å; E276-R279 WeakPolarHBondContact O-CB 3.45Å; E276-R279 PolarHBondContact O-N 3.13Å; E276-R279 VanDerWaalsContact O-N 3.15Å; E276-R279 IonicContact OE1-CZ 3.28Å; E276-R279 IonicContact OE1-NH1 3.66Å; E276-R279 PolarHBondContact OE1-NH1 3.48Å; E276-R279 IonicContact OE1-NH2 3.75Å; E276-R279 PolarHBondContact OE1-NH2 3.26Å; E276-R279 IonicContact OE2-CZ 3.04Å; E276-R279 IonicContact OE2-NH1 3.24Å; E276-R279 PolarHBondContact OE2-NH1 3.12Å; E277-R279 VanDerWaalsContact C-N 3.32Å; E277-R279 PolarHBondContact O-N 2.72Å; R279-M281 PolarHBondContact O-N 3.4Å; R279-R282 PolarHBondContact O-N 2.87Å; R279-R282 VanDerWaalsContact O-N 3.15Å; R279-E283 WeakPolarHBondContact CD-OE1 3.2Å; R279-E283 WeakPolarHBondContact CG-OE1 3.37Å; R279-E283 IonicContact CZ-OE1 2.65Å; R279-E283 IonicContact NE-OE1 2.79Å; R279-E283 PolarHBondContact NE-OE1 3.23Å; R279-E283 IonicContact NH2-OE1 3.57Å; R279-E283 WeakPolarHBondContact O-CG 3.28Å; R279-E283 PolarHBondContact O-N 2.65Å |
| 280 | H | 94.7 | Very high | 93.8 | Very high | 110 Ų | 110 | 109.9 Ų | 109.9 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 178.6 | -178.7 | -88.1 | 0 | 0 | 0 | 111.9 | E276 E277 R282 E283 E284 | E276-H280 PolarHBondContact O-N 2.95Å; E277-H280 PolarHBondContact O-N 2.87Å; H280-R282 VanDerWaalsContact C-N 3.33Å; H280-R282 PolarHBondContact O-N 3.01Å; H280-E283 PolarHBondContact O-N 2.79Å; H280-E284 PolarHBondContact O-N 3.32Å |
| 281 | M | 90.4 | Very high | 93.8 | Very high | 132 Ų | 132 | 110.1 Ų | 110.1 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.4 | -39.8 | 176.1 | -71.5 | -163.6 | -19.8 | 0 | 0 | 112.6 | E277 R279 N285 | E277-M281 WeakPolarHBondContact O-CG 3.45Å; E277-M281 PolarHBondContact O-N 3.41Å; R279-M281 PolarHBondContact O-N 3.4Å; M281-N285 VanDerWaalsContact O-CB 3.26Å; M281-N285 WeakPolarHBondContact O-CB 3.25Å; M281-N285 PolarHBondContact O-N 3.05Å |
| 282 | R | 94.4 | Very high | 94 | Very high | 126 Ų | 126 | 107 Ų | 107 | 48% | 0.475 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 176.4 | -74.1 | -173.6 | -157.9 | 102.5 | -15.2 | 112 | E278 R279 H280 N285 I286 | E278-R282 WeakPolarHBondContact O-CG 3.35Å; E278-R282 PolarHBondContact O-N 2.96Å; E278-R282 VanDerWaalsContact O-N 3.1Å; E278-R282 PolarHBondContact O-NH1 3.42Å; E278-R282 IonicContact OE1-CZ 3.5Å; E278-R282 IonicContact OE1-NE 3.67Å; E278-R282 IonicContact OE1-NH1 3.39Å; E278-R282 IonicContact OE1-NH2 3.51Å; E278-R282 PolarHBondContact OE1-NH2 2.9Å; E278-R282 IonicContact OE2-CZ 3.74Å; E278-R282 IonicContact OE2-NH1 3.92Å; E278-R282 PolarHBondContact OE2-NH1 2.78Å; E278-R282 IonicContact OE2-NH2 3.83Å; E278-R282 PolarHBondContact OE2-NH2 3.39Å; R279-R282 PolarHBondContact O-N 2.87Å; R279-R282 VanDerWaalsContact O-N 3.15Å; H280-R282 VanDerWaalsContact C-N 3.33Å; H280-R282 PolarHBondContact O-N 3.01Å; R282-N285 PolarHBondContact O-N 3.04Å; R282-I286 WeakPolarHBondContact O-CG1 3.45Å; R282-I286 PolarHBondContact O-N 2.84Å |
| 283 | E | 96.7 | Very high | 94.2 | Very high | 96 Ų | 96 | 108.9 Ų | 108.9 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 178.6 | -73.5 | 171.9 | -169.1 | 0 | 0 | 111.4 | R279 H280 N285 I286 R287 | R279-E283 WeakPolarHBondContact CD-OE1 3.2Å; R279-E283 WeakPolarHBondContact CG-OE1 3.37Å; R279-E283 IonicContact CZ-OE1 2.65Å; R279-E283 IonicContact NE-OE1 2.79Å; R279-E283 PolarHBondContact NE-OE1 3.23Å; R279-E283 IonicContact NH2-OE1 3.57Å; R279-E283 WeakPolarHBondContact O-CG 3.28Å; R279-E283 PolarHBondContact O-N 2.65Å; H280-E283 PolarHBondContact O-N 2.79Å; E283-N285 VanDerWaalsContact C-N 3.34Å; E283-N285 PolarHBondContact O-N 3.29Å; E283-I286 PolarHBondContact O-N 3.44Å; E283-R287 WeakPolarHBondContact O-CB 3.45Å; E283-R287 PolarHBondContact O-N 3.33Å |
| 284 | E | 93.4 | Very high | 94.4 | Very high | 64 Ų | 64 | 111.3 Ų | 111.3 | 30% | 0.299 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 175.1 | -81.5 | -65.8 | 121 | 0 | 0 | 111.9 | H280 I286 R287 L288 | H280-E284 PolarHBondContact O-N 3.32Å; E284-I286 PolarHBondContact O-N 3.35Å; E284-R287 WeakPolarHBondContact O-CB 3.42Å; E284-R287 PolarHBondContact O-N 2.92Å; E284-R287 VanDerWaalsContact OE1-CD 3.27Å; E284-R287 WeakPolarHBondContact OE1-CD 3.25Å; E284-R287 IonicContact OE1-CZ 2.75Å; E284-R287 IonicContact OE1-NH1 3.42Å; E284-R287 PolarHBondContact OE1-NH1 3.3Å; E284-R287 IonicContact OE2-NH1 3.09Å; E284-L288 WeakPolarHBondContact O-CB 3.35Å; E284-L288 VanDerWaalsContact O-CG 3.3Å; E284-L288 WeakPolarHBondContact O-CG 3.37Å; E284-L288 PolarHBondContact O-N 3.44Å |
| 285 | N | 94.4 | Very high | 94.6 | Very high | 100 Ų | 100 | 110 Ų | 110 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 175.2 | -167.1 | -89.7 | 0 | 0 | 0 | 112 | M281 R282 E283 R287 L288 Q289 | M281-N285 VanDerWaalsContact O-CB 3.26Å; M281-N285 WeakPolarHBondContact O-CB 3.25Å; M281-N285 PolarHBondContact O-N 3.05Å; R282-N285 PolarHBondContact O-N 3.04Å; E283-N285 VanDerWaalsContact C-N 3.34Å; E283-N285 PolarHBondContact O-N 3.29Å; N285-R287 VanDerWaalsContact C-N 3.32Å; N285-R287 PolarHBondContact O-N 3.03Å; N285-L288 PolarHBondContact O-N 3.15Å; N285-Q289 WeakPolarHBondContact O-CB 3.49Å; N285-Q289 PolarHBondContact O-N 3.06Å |
| 286 | I | 97.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 109.2 Ų | 109.2 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 175.2 | -69 | 168.4 | 0 | 0 | 0 | 110.7 | R282 E283 E284 Q289 R290 | R282-I286 WeakPolarHBondContact O-CG1 3.45Å; R282-I286 PolarHBondContact O-N 2.84Å; E283-I286 PolarHBondContact O-N 3.44Å; E284-I286 PolarHBondContact O-N 3.35Å; I286-Q289 PolarHBondContact O-N 3.42Å; I286-R290 WeakPolarHBondContact O-CG 3.42Å; I286-R290 PolarHBondContact O-N 3.44Å |
| 287 | R | 97.4 | Very high | 94.6 | Very high | 129 Ų | 129 | 109.5 Ų | 109.5 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 178 | -174.2 | -173.8 | -180 | -166.1 | -0.1 | 111.5 | E283 E284 N285 R290 K291 | E283-R287 WeakPolarHBondContact O-CB 3.45Å; E283-R287 PolarHBondContact O-N 3.33Å; E284-R287 WeakPolarHBondContact O-CB 3.42Å; E284-R287 PolarHBondContact O-N 2.92Å; E284-R287 VanDerWaalsContact OE1-CD 3.27Å; E284-R287 WeakPolarHBondContact OE1-CD 3.25Å; E284-R287 IonicContact OE1-CZ 2.75Å; E284-R287 IonicContact OE1-NH1 3.42Å; E284-R287 PolarHBondContact OE1-NH1 3.3Å; E284-R287 IonicContact OE2-NH1 3.09Å; N285-R287 VanDerWaalsContact C-N 3.32Å; N285-R287 PolarHBondContact O-N 3.03Å; R287-R290 PolarHBondContact O-N 2.88Å; R287-K291 PolarHBondContact O-N 3.4Å |
| 288 | L | 94.5 | Very high | 95 | Very high | 96 Ų | 96 | 111.3 Ų | 111.3 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 177.2 | -71.7 | 173.9 | 0 | 0 | 0 | 111.4 | E284 N285 R290 K291 L292 | E284-L288 WeakPolarHBondContact O-CB 3.35Å; E284-L288 VanDerWaalsContact O-CG 3.3Å; E284-L288 WeakPolarHBondContact O-CG 3.37Å; E284-L288 PolarHBondContact O-N 3.44Å; N285-L288 PolarHBondContact O-N 3.15Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 2.92Å; L288-K291 WeakPolarHBondContact O-CB 3.33Å; L288-K291 PolarHBondContact O-N 3.3Å; L288-K291 VanDerWaalsContact O-N 3.09Å; L288-L292 WeakPolarHBondContact O-CB 3.29Å; L288-L292 PolarHBondContact O-N 2.86Å |
| 289 | Q | 94.3 | Very high | 95.3 | Very high | 127 Ų | 127 | 115.7 Ų | 115.7 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -40.8 | 176.8 | -165.4 | 173.5 | 24.9 | 0 | 0 | 111.8 | N285 I286 L292 Q293 | N285-Q289 WeakPolarHBondContact O-CB 3.49Å; N285-Q289 PolarHBondContact O-N 3.06Å; I286-Q289 PolarHBondContact O-N 3.42Å; Q289-L292 PolarHBondContact O-N 2.96Å; Q289-Q293 WeakPolarHBondContact O-CB 3.45Å; Q289-Q293 PolarHBondContact O-N 2.95Å |
| 290 | R | 97.4 | Very high | 95.3 | Very high | 161 Ų | 161 | 115.7 Ų | 115.7 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66 | -35 | 173.6 | -72.8 | 174.9 | 178.1 | 173.8 | 0.5 | 113.1 | I286 R287 L288 R294 | I286-R290 WeakPolarHBondContact O-CG 3.42Å; I286-R290 PolarHBondContact O-N 3.44Å; R287-R290 PolarHBondContact O-N 2.88Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 2.92Å; R290-R294 WeakPolarHBondContact O-CG 3.3Å; R290-R294 PolarHBondContact O-N 3.35Å; R290-R294 PolarHBondContact O-NH1 3.47Å |
| 291 | K | 95.3 | Very high | 95.3 | Very high | 112 Ų | 112 | 112.3 Ų | 112.3 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68 | -47 | 174.7 | -76.5 | -177.6 | 175.6 | -176.1 | 0 | 110.7 | R287 L288 Q293 R294 E295 | R287-K291 PolarHBondContact O-N 3.4Å; L288-K291 WeakPolarHBondContact O-CB 3.33Å; L288-K291 PolarHBondContact O-N 3.3Å; L288-K291 VanDerWaalsContact O-N 3.09Å; K291-Q293 VanDerWaalsContact C-N 3.3Å; K291-Q293 PolarHBondContact O-N 3.34Å; K291-R294 PolarHBondContact O-N 2.96Å; K291-E295 PolarHBondContact O-N 2.94Å |
| 292 | L | 95.6 | Very high | 95.5 | Very high | 108 Ų | 108 | 109.2 Ų | 109.2 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.5 | -45.5 | 176.4 | 179.1 | 62.4 | 0 | 0 | 0 | 111.4 | L288 Q289 R294 E295 M296 | L288-L292 WeakPolarHBondContact O-CB 3.29Å; L288-L292 PolarHBondContact O-N 2.86Å; Q289-L292 PolarHBondContact O-N 2.96Å; L292-R294 VanDerWaalsContact C-N 3.35Å; L292-R294 PolarHBondContact O-N 3.3Å; L292-E295 PolarHBondContact O-N 3.35Å; L292-M296 HydrophobicContact CD1-CG 4.45Å; L292-M296 HydrophobicContact CG-SD 4.4Å; L292-M296 WeakPolarHBondContact O-CG 3.49Å; L292-M296 PolarHBondContact O-N 3.2Å |
| 293 | Q | 96.1 | Very high | 95.3 | Very high | 97 Ų | 97 | 106.4 Ų | 106.4 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 177.5 | -176.4 | 61.7 | 29.7 | 0 | 0 | 112.3 | Q289 K291 E295 M296 E297 | Q289-Q293 WeakPolarHBondContact O-CB 3.45Å; Q289-Q293 PolarHBondContact O-N 2.95Å; K291-Q293 VanDerWaalsContact C-N 3.3Å; K291-Q293 PolarHBondContact O-N 3.34Å; Q293-E295 VanDerWaalsContact C-N 3.34Å; Q293-E295 PolarHBondContact O-N 2.86Å; Q293-M296 PolarHBondContact O-N 3.34Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.49Å; Q293-E297 PolarHBondContact NE2-OE1 2.97Å; Q293-E297 WeakPolarHBondContact O-CG 3.48Å; Q293-E297 PolarHBondContact O-N 2.88Å |
| 294 | R | 96 | Very high | 95.2 | Very high | 150 Ų | 150 | 108.3 Ų | 108.3 | 57% | 0.566 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.9 | -38.1 | 176.7 | -71.2 | -172.9 | -164.1 | 88.8 | -7.8 | 112.3 | R290 K291 L292 E297 R298 | R290-R294 WeakPolarHBondContact O-CG 3.3Å; R290-R294 PolarHBondContact O-N 3.35Å; R290-R294 PolarHBondContact O-NH1 3.47Å; K291-R294 PolarHBondContact O-N 2.96Å; L292-R294 VanDerWaalsContact C-N 3.35Å; L292-R294 PolarHBondContact O-N 3.3Å; R294-E297 PolarHBondContact O-N 3.46Å; R294-R298 WeakPolarHBondContact O-CB 3.38Å; R294-R298 PolarHBondContact O-N 3.32Å |
| 295 | E | 95.6 | Very high | 95.3 | Very high | 106 Ų | 106 | 111 Ų | 111 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 177.2 | -161.8 | 59.2 | -138.5 | 0 | 0 | 111.5 | K291 L292 Q293 R298 R299 | K291-E295 PolarHBondContact O-N 2.94Å; L292-E295 PolarHBondContact O-N 3.35Å; Q293-E295 VanDerWaalsContact C-N 3.34Å; Q293-E295 PolarHBondContact O-N 2.86Å; E295-R298 PolarHBondContact O-N 3.29Å; E295-R298 IonicContact OE1-NE 3.76Å; E295-R298 PolarHBondContact OE1-NE 3.43Å; E295-R299 WeakPolarHBondContact O-CB 3.43Å; E295-R299 PolarHBondContact O-N 3.42Å |
| 296 | M | 93.5 | Very high | 95 | Very high | 88 Ų | 88 | 110.9 Ų | 110.9 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 171.5 | -72.8 | -175.6 | 62.7 | 0 | 0 | 111.5 | L292 Q293 R298 R299 E300 | L292-M296 HydrophobicContact CD1-CG 4.45Å; L292-M296 HydrophobicContact CG-SD 4.4Å; L292-M296 WeakPolarHBondContact O-CG 3.49Å; L292-M296 PolarHBondContact O-N 3.2Å; Q293-M296 PolarHBondContact O-N 3.34Å; M296-R298 VanDerWaalsContact C-N 3.32Å; M296-R298 PolarHBondContact O-N 3.46Å; M296-R299 PolarHBondContact O-N 3.29Å; M296-E300 WeakPolarHBondContact O-CB 3.31Å; M296-E300 WeakPolarHBondContact O-CG 3.46Å; M296-E300 PolarHBondContact O-N 2.94Å |
| 297 | E | 95.6 | Very high | 94.6 | Very high | 101 Ų | 101 | 110.2 Ų | 110.2 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 176.7 | -74.7 | 167.3 | -168.2 | 0 | 0 | 112 | Q293 R294 E300 A301 | Q293-E297 WeakPolarHBondContact CG-OE1 3.49Å; Q293-E297 PolarHBondContact NE2-OE1 2.97Å; Q293-E297 WeakPolarHBondContact O-CG 3.48Å; Q293-E297 PolarHBondContact O-N 2.88Å; R294-E297 PolarHBondContact O-N 3.46Å; E297-E300 PolarHBondContact O-N 3.29Å; E297-A301 VanDerWaalsContact O-CB 3.31Å; E297-A301 WeakPolarHBondContact O-CB 3.29Å; E297-A301 PolarHBondContact O-N 3.11Å |
| 298 | R | 97.4 | Very high | 94.3 | Very high | 148 Ų | 148 | 109.7 Ų | 109.7 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -46.5 | 175.5 | -165.6 | -173 | 103.5 | 81.4 | -2.9 | 111.2 | R294 E295 M296 A301 L302 | R294-R298 WeakPolarHBondContact O-CB 3.38Å; R294-R298 PolarHBondContact O-N 3.32Å; E295-R298 PolarHBondContact O-N 3.29Å; E295-R298 IonicContact OE1-NE 3.76Å; E295-R298 PolarHBondContact OE1-NE 3.43Å; M296-R298 VanDerWaalsContact C-N 3.32Å; M296-R298 PolarHBondContact O-N 3.46Å; R298-A301 PolarHBondContact O-N 3.39Å; R298-L302 WeakPolarHBondContact O-CB 3.2Å; R298-L302 PolarHBondContact O-N 2.95Å |
| 299 | R | 96.3 | Very high | 94 | Very high | 185 Ų | 185 | 108.7 Ų | 108.7 | 70% | 0.698 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 177 | -179 | 179.8 | 174 | 165.2 | 0.1 | 111.7 | E295 M296 L302 C303 | E295-R299 WeakPolarHBondContact O-CB 3.43Å; E295-R299 PolarHBondContact O-N 3.42Å; M296-R299 PolarHBondContact O-N 3.29Å; R299-L302 PolarHBondContact O-N 3.08Å; R299-C303 PolarHBondContact O-N 3.46Å |
| 300 | E | 95.3 | Very high | 93.5 | Very high | 108 Ų | 108 | 109.1 Ų | 109.1 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 177.8 | -75.9 | -178 | -172.3 | 0 | 0 | 112 | M296 E297 L302 C303 R304 | M296-E300 WeakPolarHBondContact O-CB 3.31Å; M296-E300 WeakPolarHBondContact O-CG 3.46Å; M296-E300 PolarHBondContact O-N 2.94Å; E297-E300 PolarHBondContact O-N 3.29Å; E300-L302 VanDerWaalsContact C-N 3.35Å; E300-C303 PolarHBondContact O-N 3.03Å; E300-R304 WeakPolarHBondContact O-CB 3.48Å; E300-R304 PolarHBondContact O-N 2.81Å |
| 301 | A | 95.2 | Very high | 92.8 | Very high | 39 Ų | 39 | 104.5 Ų | 104.5 | 32% | 0.322 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E297 R298 R304 Q305 | E297-A301 VanDerWaalsContact O-CB 3.31Å; E297-A301 WeakPolarHBondContact O-CB 3.29Å; E297-A301 PolarHBondContact O-N 3.11Å; R298-A301 PolarHBondContact O-N 3.39Å; A301-R304 PolarHBondContact O-N 3.09Å; A301-Q305 WeakPolarHBondContact O-CG 3.44Å; A301-Q305 PolarHBondContact O-N 2.81Å |
| 302 | L | 94 | Very high | 92.5 | Very high | 68 Ų | 68 | 101.9 Ų | 101.9 | 36% | 0.356 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 176.6 | -121.6 | 156.7 | 0 | 0 | 0 | 111.8 | R298 R299 E300 R304 Q305 L306 | R298-L302 WeakPolarHBondContact O-CB 3.2Å; R298-L302 PolarHBondContact O-N 2.95Å; R299-L302 PolarHBondContact O-N 3.08Å; E300-L302 VanDerWaalsContact C-N 3.35Å; L302-R304 VanDerWaalsContact C-N 3.28Å; L302-R304 PolarHBondContact O-N 3.28Å; L302-Q305 PolarHBondContact O-N 3.46Å; L302-L306 HydrophobicContact CD2-CD1 4.16Å; L302-L306 HydrophobicContact CD2-CG 4.34Å; L302-L306 WeakPolarHBondContact O-CG 3.42Å; L302-L306 PolarHBondContact O-N 2.96Å |
| 303 | C | 90.6 | Very high | 92 | Very high | 66 Ų | 66 | 101.8 Ų | 101.8 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 175.5 | -75.5 | 0 | 0 | 0 | 0 | 112 | R299 E300 S307 | R299-C303 PolarHBondContact O-N 3.46Å; E300-C303 PolarHBondContact O-N 3.03Å; C303-S307 WeakPolarHBondContact O-CB 3.5Å; C303-S307 PolarHBondContact O-N 3.47Å; C303-S307 PolarHBondContact O-OG 2.8Å |
| 304 | R | 94.6 | Very high | 91.5 | Very high | 136 Ų | 136 | 103 Ų | 103 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 176.5 | -169.8 | -178.4 | -63.3 | 106.9 | 3.5 | 111.5 | E300 A301 L302 L306 S307 E308 | E300-R304 WeakPolarHBondContact O-CB 3.48Å; E300-R304 PolarHBondContact O-N 2.81Å; A301-R304 PolarHBondContact O-N 3.09Å; L302-R304 VanDerWaalsContact C-N 3.28Å; L302-R304 PolarHBondContact O-N 3.28Å; R304-L306 PolarHBondContact O-N 3.21Å; R304-S307 PolarHBondContact O-N 3.48Å; R304-E308 WeakPolarHBondContact CG-OE1 3.37Å; R304-E308 WeakPolarHBondContact O-CB 3.34Å; R304-E308 VanDerWaalsContact O-CG 3.31Å; R304-E308 WeakPolarHBondContact O-CG 3.49Å; R304-E308 PolarHBondContact O-N 3.22Å |
| 305 | Q | 94.8 | Very high | 91.2 | Very high | 121 Ų | 121 | 100.4 Ų | 100.4 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 177.3 | -76.7 | -177.6 | -22.4 | 0 | 0 | 112.7 | A301 L302 E308 S309 | A301-Q305 WeakPolarHBondContact O-CG 3.44Å; A301-Q305 PolarHBondContact O-N 2.81Å; L302-Q305 PolarHBondContact O-N 3.46Å; Q305-E308 PolarHBondContact O-N 2.87Å; Q305-S309 VanDerWaalsContact O-CB 3.29Å; Q305-S309 WeakPolarHBondContact O-CB 3.49Å; Q305-S309 PolarHBondContact O-N 3.35Å; Q305-S309 PolarHBondContact O-OG 3.31Å |
| 306 | L | 89.1 | Confident | 90.8 | Very high | 97 Ų | 97 | 99.5 Ų | 99.5 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 174.8 | -71.4 | 172.3 | 0 | 0 | 0 | 111 | L302 R304 E308 S309 E310 | L302-L306 HydrophobicContact CD2-CD1 4.16Å; L302-L306 HydrophobicContact CD2-CG 4.34Å; L302-L306 WeakPolarHBondContact O-CG 3.42Å; L302-L306 PolarHBondContact O-N 2.96Å; R304-L306 PolarHBondContact O-N 3.21Å; L306-E308 PolarHBondContact O-N 2.98Å; L306-S309 PolarHBondContact O-N 3.13Å; L306-E310 WeakPolarHBondContact O-CB 3.38Å; L306-E310 WeakPolarHBondContact O-CG 3.25Å; L306-E310 PolarHBondContact O-N 3.49Å |
| 307 | S | 88.6 | Confident | 90.5 | Very high | 72 Ų | 72 | 100 Ų | 100 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.8 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | C303 R304 S311 | C303-S307 WeakPolarHBondContact O-CB 3.5Å; C303-S307 PolarHBondContact O-N 3.47Å; C303-S307 PolarHBondContact O-OG 2.8Å; R304-S307 PolarHBondContact O-N 3.48Å; S307-S311 WeakPolarHBondContact O-CB 3.21Å; S307-S311 PolarHBondContact O-N 3.49Å |
| 308 | E | 89.9 | Confident | 90.1 | Very high | 117 Ų | 117 | 100.7 Ų | 100.7 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 175.2 | -73.5 | 169.1 | -173.3 | 0 | 0 | 111.7 | R304 Q305 L306 S312 | R304-E308 WeakPolarHBondContact CG-OE1 3.37Å; R304-E308 WeakPolarHBondContact O-CB 3.34Å; R304-E308 VanDerWaalsContact O-CG 3.31Å; R304-E308 WeakPolarHBondContact O-CG 3.49Å; R304-E308 PolarHBondContact O-N 3.22Å; Q305-E308 PolarHBondContact O-N 2.87Å; L306-E308 PolarHBondContact O-N 2.98Å; E308-S312 WeakPolarHBondContact O-CB 3.41Å; E308-S312 PolarHBondContact O-N 3.14Å |
| 309 | S | 88.6 | Confident | 89.6 | Confident | 75 Ų | 75 | 101.5 Ų | 101.5 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.5 | -39.7 | 178.1 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | Q305 L306 S312 L313 | Q305-S309 VanDerWaalsContact O-CB 3.29Å; Q305-S309 WeakPolarHBondContact O-CB 3.49Å; Q305-S309 PolarHBondContact O-N 3.35Å; Q305-S309 PolarHBondContact O-OG 3.31Å; L306-S309 PolarHBondContact O-N 3.13Å; S309-S312 PolarHBondContact O-N 3.41Å; S309-L313 WeakPolarHBondContact O-CB 3.32Å; S309-L313 PolarHBondContact O-N 3.2Å |
| 310 | E | 84.6 | Confident | 89 | Confident | 136 Ų | 136 | 99.5 Ų | 99.5 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -45.7 | 173.8 | -77.1 | 179.2 | 176.4 | 0 | 0 | 111.1 | L306 S312 L313 E314 | L306-E310 WeakPolarHBondContact O-CB 3.38Å; L306-E310 WeakPolarHBondContact O-CG 3.25Å; L306-E310 PolarHBondContact O-N 3.49Å; E310-S312 VanDerWaalsContact C-N 3.34Å; E310-S312 PolarHBondContact O-N 3.39Å; E310-L313 PolarHBondContact O-N 3.46Å; E310-E314 WeakPolarHBondContact O-CB 3.38Å; E310-E314 PolarHBondContact O-N 3.26Å |
| 311 | S | 82.9 | Confident | 88.4 | Confident | 64 Ų | 64 | 99.7 Ų | 99.7 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 177.7 | 179.5 | 0 | 0 | 0 | 0 | 112.7 | S307 M315 | S307-S311 WeakPolarHBondContact O-CB 3.21Å; S307-S311 PolarHBondContact O-N 3.49Å; S311-M315 WeakPolarHBondContact O-CG 3.18Å; S311-M315 PolarHBondContact O-N 3.46Å; S311-M315 VanDerWaalsContact O-N 3.12Å |
| 312 | S | 87.7 | Confident | 87.8 | Confident | 58 Ų | 58 | 102.8 Ų | 102.8 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 173.2 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | E308 S309 E310 E314 M315 D316 | E308-S312 WeakPolarHBondContact O-CB 3.41Å; E308-S312 PolarHBondContact O-N 3.14Å; S309-S312 PolarHBondContact O-N 3.41Å; E310-S312 VanDerWaalsContact C-N 3.34Å; E310-S312 PolarHBondContact O-N 3.39Å; S312-E314 VanDerWaalsContact C-N 3.32Å; S312-E314 PolarHBondContact O-N 3.28Å; S312-M315 PolarHBondContact O-N 3.32Å; S312-D316 PolarHBondContact O-N 2.95Å |
| 313 | L | 86.7 | Confident | 87.3 | Confident | 105 Ų | 105 | 104.7 Ų | 104.7 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 178.6 | -172.8 | 66.6 | 0 | 0 | 0 | 111 | S309 E310 M315 D316 D317 | S309-L313 WeakPolarHBondContact O-CB 3.32Å; S309-L313 PolarHBondContact O-N 3.2Å; E310-L313 PolarHBondContact O-N 3.46Å; L313-M315 PolarHBondContact O-N 3.36Å; L313-D316 PolarHBondContact O-N 2.96Å; L313-D317 WeakPolarHBondContact O-CB 3.46Å; L313-D317 PolarHBondContact O-N 3.4Å |
| 314 | E | 85.4 | Confident | 86.6 | Confident | 122 Ų | 122 | 105.2 Ų | 105.2 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -40.4 | 176.3 | -169.9 | 174 | -158.3 | 0 | 0 | 112 | E310 S312 D317 E318 | E310-E314 WeakPolarHBondContact O-CB 3.38Å; E310-E314 PolarHBondContact O-N 3.26Å; S312-E314 VanDerWaalsContact C-N 3.32Å; S312-E314 PolarHBondContact O-N 3.28Å; E314-D317 PolarHBondContact O-N 3.36Å; E314-E318 WeakPolarHBondContact O-CG 3.35Å; E314-E318 PolarHBondContact O-N 3.36Å |
| 315 | M | 88.6 | Confident | 85.6 | Confident | 97 Ų | 97 | 100.5 Ų | 100.5 | 48% | 0.478 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -35.4 | 174.7 | -73.5 | -148.6 | -56.4 | 0 | 0 | 113.3 | S311 S312 L313 R319 | S311-M315 WeakPolarHBondContact O-CG 3.18Å; S311-M315 PolarHBondContact O-N 3.46Å; S311-M315 VanDerWaalsContact O-N 3.12Å; S312-M315 PolarHBondContact O-N 3.32Å; L313-M315 PolarHBondContact O-N 3.36Å; M315-R319 WeakPolarHBondContact O-CB 3.49Å; M315-R319 VanDerWaalsContact O-CG 3.25Å; M315-R319 WeakPolarHBondContact O-CG 3.24Å; M315-R319 PolarHBondContact O-N 2.78Å |
| 316 | D | 87.9 | Confident | 84.5 | Confident | 86 Ų | 86 | 98.6 Ų | 98.6 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 176.5 | -73.1 | -23.8 | 0 | 0 | 0 | 111 | S312 L313 R319 Y320 | S312-D316 PolarHBondContact O-N 2.95Å; L313-D316 PolarHBondContact O-N 2.96Å; D316-R319 PolarHBondContact O-N 3.48Å; D316-Y320 WeakPolarHBondContact O-CB 3.2Å; D316-Y320 PolarHBondContact O-N 3.09Å |
| 317 | D | 87.7 | Confident | 83.8 | Confident | 98 Ų | 98 | 99.1 Ų | 99.1 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 172 | -79.2 | -17.2 | 0 | 0 | 0 | 111.8 | L313 E314 Y320 F321 | L313-D317 WeakPolarHBondContact O-CB 3.46Å; L313-D317 PolarHBondContact O-N 3.4Å; E314-D317 PolarHBondContact O-N 3.36Å; D317-Y320 PolarHBondContact O-N 3.21Å; D317-F321 VanDerWaalsContact O-CB 3.23Å; D317-F321 WeakPolarHBondContact O-CB 3.23Å; D317-F321 PolarHBondContact O-N 3.22Å |
| 318 | E | 85.6 | Confident | 82.4 | Confident | 116 Ų | 116 | 98.5 Ų | 98.5 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.5 | -79.5 | -173.6 | 173.9 | 0 | 0 | 112.5 | E314 N322 | E314-E318 WeakPolarHBondContact O-CG 3.35Å; E314-E318 PolarHBondContact O-N 3.36Å; E318-N322 WeakPolarHBondContact O-CB 3.18Å; E318-N322 PolarHBondContact O-N 3.35Å; E318-N322 PolarHBondContact O-ND2 3.38Å |
| 319 | R | 86.9 | Confident | 80.8 | Confident | 165 Ų | 165 | 99.2 Ų | 99.2 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.9 | -47.7 | 174.7 | -75.9 | 170.5 | -170.9 | -107.2 | 2.2 | 110.7 | M315 D316 F321 N322 E323 | M315-R319 WeakPolarHBondContact O-CB 3.49Å; M315-R319 VanDerWaalsContact O-CG 3.25Å; M315-R319 WeakPolarHBondContact O-CG 3.24Å; M315-R319 PolarHBondContact O-N 2.78Å; D316-R319 PolarHBondContact O-N 3.48Å; R319-F321 PolarHBondContact O-N 2.82Å; R319-N322 PolarHBondContact O-N 2.84Å; R319-E323 VanDerWaalsContact O-CB 3.27Å; R319-E323 WeakPolarHBondContact O-CB 3.43Å; R319-E323 PolarHBondContact O-N 3.37Å |
| 320 | Y | 84.3 | Confident | 79.2 | Confident | 143 Ų | 143 | 102.3 Ų | 102.3 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 178.4 | -175.4 | -105.4 | 0 | 0 | 0 | 111.8 | D316 D317 E323 M324 | D316-Y320 WeakPolarHBondContact O-CB 3.2Å; D316-Y320 PolarHBondContact O-N 3.09Å; D317-Y320 PolarHBondContact O-N 3.21Å; Y320-E323 PolarHBondContact O-N 2.76Å; Y320-M324 HydrophobicContact CE1-CE 3.69Å; Y320-M324 HydrophobicContact CE2-CE 4.18Å; Y320-M324 WeakPolarHBondContact O-CB 3.22Å; Y320-M324 PolarHBondContact O-N 3.02Å; Y320-M324 WeakPolarHBondContact OH-CE 3.17Å |
| 321 | F | 82.4 | Confident | 77.5 | Confident | 113 Ų | 113 | 100.1 Ų | 100.1 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 174.9 | -179.6 | -87.5 | 0 | 0 | 0 | 111.5 | D317 R319 S325 | D317-F321 VanDerWaalsContact O-CB 3.23Å; D317-F321 WeakPolarHBondContact O-CB 3.23Å; D317-F321 PolarHBondContact O-N 3.22Å; R319-F321 PolarHBondContact O-N 2.82Å; F321-S325 VanDerWaalsContact O-CB 3.27Å; F321-S325 WeakPolarHBondContact O-CB 3.49Å; F321-S325 PolarHBondContact O-N 3.25Å; F321-S325 PolarHBondContact O-OG 3.15Å |
| 322 | N | 83.6 | Confident | 75.8 | Confident | 103 Ų | 103 | 108.3 Ų | 108.3 | 55% | 0.551 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.6 | -37 | 178.1 | -81.3 | -22.8 | 0 | 0 | 0 | 112.3 | E318 R319 S325 A326 | E318-N322 WeakPolarHBondContact O-CB 3.18Å; E318-N322 PolarHBondContact O-N 3.35Å; E318-N322 PolarHBondContact O-ND2 3.38Å; R319-N322 PolarHBondContact O-N 2.84Å; N322-S325 WeakPolarHBondContact O-CB 3.14Å; N322-S325 PolarHBondContact O-N 2.79Å; N322-A326 VanDerWaalsContact O-CB 3.3Å; N322-A326 WeakPolarHBondContact O-CB 3.48Å; N322-A326 PolarHBondContact O-N 3.42Å |
| 323 | E | 82.7 | Confident | 73.8 | Confident | 109 Ų | 109 | 111.9 Ų | 111.9 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -50.8 | 174.2 | -173.7 | 167.8 | -164.1 | 0 | 0 | 110.7 | R319 Y320 S325 A326 Q327 | R319-E323 VanDerWaalsContact O-CB 3.27Å; R319-E323 WeakPolarHBondContact O-CB 3.43Å; R319-E323 PolarHBondContact O-N 3.37Å; Y320-E323 PolarHBondContact O-N 2.76Å; E323-S325 PolarHBondContact O-N 2.87Å; E323-S325 VanDerWaalsContact O-N 3.11Å; E323-A326 PolarHBondContact O-N 3.36Å; E323-Q327 VanDerWaalsContact O-CD 3.29Å; E323-Q327 PolarHBondContact O-N 3.47Å; E323-Q327 PolarHBondContact O-OE1 2.77Å; E323-Q327 PolarHBondContact OE1-NE2 3.33Å |
| 324 | M | 76.5 | Confident | 71.8 | Confident | 76 Ų | 76 | 113.2 Ų | 113.2 | 37% | 0.374 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.8 | -30.6 | 175.5 | -152.1 | 76.9 | 100.1 | 0 | 0 | 112.7 | Y320 | Y320-M324 HydrophobicContact CE1-CE 3.69Å; Y320-M324 HydrophobicContact CE2-CE 4.18Å; Y320-M324 WeakPolarHBondContact O-CB 3.22Å; Y320-M324 PolarHBondContact O-N 3.02Å; Y320-M324 WeakPolarHBondContact OH-CE 3.17Å |
| 325 | S | 73.8 | Confident | 69.5 | Low | 38 Ų | 38 | 112.7 Ų | 112.7 | 27% | 0.266 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.8 | -40.8 | 173.6 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | F321 N322 E323 G328 R330 | F321-S325 VanDerWaalsContact O-CB 3.27Å; F321-S325 WeakPolarHBondContact O-CB 3.49Å; F321-S325 PolarHBondContact O-N 3.25Å; F321-S325 PolarHBondContact O-OG 3.15Å; N322-S325 WeakPolarHBondContact O-CB 3.14Å; N322-S325 PolarHBondContact O-N 2.79Å; E323-S325 PolarHBondContact O-N 2.87Å; E323-S325 VanDerWaalsContact O-N 3.11Å; S325-G328 PolarHBondContact O-N 3.02Å; S325-R330 PolarHBondContact OG-NH1 3.29Å |
| 326 | A | 72 | Confident | 67 | Low | 81 Ų | 81 | 112.9 Ų | 112.9 | 67% | 0.669 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73 | -32.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N322 E323 G328 | N322-A326 VanDerWaalsContact O-CB 3.3Å; N322-A326 WeakPolarHBondContact O-CB 3.48Å; N322-A326 PolarHBondContact O-N 3.42Å; E323-A326 PolarHBondContact O-N 3.36Å; A326-G328 PolarHBondContact O-N 2.88Å |
| 327 | Q | 73.7 | Confident | 65 | Low | 107 Ų | 107 | 114.7 Ų | 114.7 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | -2.2 | 174 | -90 | 79.7 | -38.3 | 0 | 0 | 113.4 | E323 L329 | E323-Q327 VanDerWaalsContact O-CD 3.29Å; E323-Q327 PolarHBondContact O-N 3.47Å; E323-Q327 PolarHBondContact O-OE1 2.77Å; E323-Q327 PolarHBondContact OE1-NE2 3.33Å; Q327-L329 VanDerWaalsContact C-N 3.27Å; Q327-L329 PolarHBondContact O-N 3.29Å |
| 328 | G | 59.1 | Low | 62.7 | Low | 60 Ų | 60 | 117.4 Ų | 117.4 | 62% | 0.619 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.8 | 12.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S325 A326 R330 | S325-G328 PolarHBondContact O-N 3.02Å; A326-G328 PolarHBondContact O-N 2.88Å; G328-R330 VanDerWaalsContact C-N 3.25Å; G328-R330 PolarHBondContact O-N 3.08Å |
| 329 | L | 56.5 | Low | 60.7 | Low | 132 Ų | 132 | 117.2 Ų | 117.2 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | trans | -85.4 | 17.3 | -177.1 | -69.8 | 174.3 | 0 | 0 | 0 | 114.3 | Q327 A331 | Q327-L329 VanDerWaalsContact C-N 3.27Å; Q327-L329 PolarHBondContact O-N 3.29Å; L329-A331 PolarHBondContact O-N 3.49Å | ||
| 330 | R | 54.4 | Low | 58.2 | Low | 140 Ų | 140 | 120.4 Ų | 120.4 | 53% | 0.528 | 65% | 0.654 | S | S | . | * | trans | -73.6 | 118.5 | 167.9 | -88.4 | -161.3 | 166.6 | 93.5 | 20.7 | 110.3 | S325 G328 R332 | S325-R330 PolarHBondContact OG-NH1 3.29Å; G328-R330 VanDerWaalsContact C-N 3.25Å; G328-R330 PolarHBondContact O-N 3.08Å; R330-R332 PolarHBondContact O-N 3.4Å | ||
| 331 | A | 49.8 | Very low | 56.1 | Low | 90 Ų | 90 | 119.6 Ų | 119.6 | 74% | 0.744 | 66% | 0.664 | S | S | * | * | trans | -56.3 | 111.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | L329 T333 | L329-A331 PolarHBondContact O-N 3.49Å; A331-T333 PolarHBondContact O-N 2.8Å | ||
| 332 | R | 47.3 | Very low | 54.4 | Low | 235 Ų | 235 | 119.7 Ų | 119.7 | 89% | 0.887 | 68% | 0.676 | S | S | * | * | trans | -56.4 | 107.1 | 170.9 | -78.9 | -178.5 | 172.3 | 169.9 | -2.2 | 108 | R330 V334 | R330-R332 PolarHBondContact O-N 3.4Å; R332-V334 PolarHBondContact O-N 3.49Å; R332-V334 VanDerWaalsContact O-N 3.15Å | ||
| 333 | T | 45.8 | Very low | 52.2 | Low | 134 Ų | 134 | 120.2 Ų | 120.2 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | -66.4 | 113 | 160.3 | 45.6 | 0 | 0 | 0 | 0 | 106.8 | A331 S335 | A331-T333 PolarHBondContact O-N 2.8Å; T333-S335 PolarHBondContact O-N 2.67Å; T333-S335 VanDerWaalsContact O-N 3.07Å | ||
| 334 | V | 43.3 | Very low | 50.9 | Low | 132 Ų | 132 | 120.3 Ų | 120.3 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | trans | -67.7 | 97.8 | 176.2 | -78.3 | 0 | 0 | 0 | 0 | 109.2 | R332 S336 | R332-V334 PolarHBondContact O-N 3.49Å; R332-V334 VanDerWaalsContact O-N 3.15Å; V334-S336 PolarHBondContact O-N 2.69Å | ||
| 335 | S | 37.6 | Very low | 48.8 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | trans | -81.7 | 107.1 | 161.5 | 47.5 | 0 | 0 | 0 | 0 | 108.7 | T333 | T333-S335 PolarHBondContact O-N 2.67Å; T333-S335 VanDerWaalsContact O-N 3.07Å | ||
| 336 | S | 35.6 | Very low | 47 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -72.1 | 132.4 | 171.4 | -49.6 | 0 | 0 | 0 | 0 | 110.3 | V334 I338 | V334-S336 PolarHBondContact O-N 2.69Å; S336-I338 PolarHBondContact O-N 3.38Å | ||
| 337 | P | 45.6 | Very low | 45.3 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | trans | -82.1 | 112.6 | 170.9 | 30.4 | -28 | 0 | 0 | 0 | 109.3 | ||||
| 338 | I | 39.4 | Very low | 43.9 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 125.4 | 169.7 | -60.3 | 173.5 | 0 | 0 | 0 | 108 | S336 Y340 | S336-I338 PolarHBondContact O-N 3.38Å; I338-Y340 PolarHBondContact O-N 2.72Å |
| 339 | P | 43.8 | Very low | 43.8 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 127 | 176.3 | -15.6 | 29.9 | 0 | 0 | 0 | 111.5 | ||
| 340 | Y | 35.2 | Very low | 42.8 | Very low | 233 Ų | 233 | 136.3 Ų | 136.3 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 134.1 | 166.6 | -106.8 | -100.8 | 0 | 0 | 0 | 111 | I338 | I338-Y340 PolarHBondContact O-N 2.72Š|
| 341 | T | 39.1 | Very low | 41.8 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 138.6 | 163.4 | 56.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 342 | P | 48.7 | Very low | 41.9 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 126.5 | -171.9 | 34.3 | -29.5 | 0 | 0 | 0 | 114.2 | ||
| 343 | S | 36.4 | Very low | 41.3 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 64.9 | 170.5 | 142.9 | -54.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 344 | P | 54.5 | Low | 41 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -137.4 | 177.9 | -5.3 | 31 | -8 | 0 | 0 | 0 | 116.4 | ||||
| 345 | S | 33.1 | Very low | 40.6 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 77.3 | 118.6 | 148.6 | -65.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 346 | S | 35.2 | Very low | 40.5 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 138.1 | 110.7 | 115.6 | -161.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 347 | S | 36.6 | Very low | 40.3 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 56.9 | 114.7 | 131.3 | -35.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 348 | R | 44.4 | Very low | 39.6 | Very low | 236 Ų | 236 | 132.6 Ų | 132.6 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -53.1 | 166.4 | 143.3 | -77.1 | -179.3 | 169.3 | -113.4 | -0.4 | 110.3 | ||||
| 349 | P | 58.1 | Low | 39.5 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -154.3 | -173.7 | 31.8 | 33 | -5.3 | 0 | 0 | 0 | 119 | ||||
| 350 | I | 35.7 | Very low | 39.1 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | trans | 94.2 | 127.5 | 151.3 | -38.3 | -174.7 | 0 | 0 | 0 | 120.1 | ||||
| 351 | S | 33 | Very low | 39.3 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -61.3 | -164.3 | -175.5 | -40 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 352 | P | 52.3 | Low | 38.9 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | -127.6 | 161.2 | -59 | 31.5 | -13 | 0 | 0 | 0 | 112.7 | |||||
| 353 | G | 33.6 | Very low | 38.2 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -152.8 | 120.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 354 | L | 40.8 | Very low | 38.5 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -64.1 | 143.8 | 175.5 | -70.2 | 129.9 | 0 | 0 | 0 | 113.3 | ||||
| 355 | S | 34.1 | Very low | 37.9 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -178.1 | 104.9 | 139.3 | -80 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 356 | Y | 35.3 | Very low | 38.6 | Very low | 234 Ų | 234 | 131.8 Ų | 131.8 | 92% | 0.918 | 79% | 0.787 | S | S | * | * | 59.4 | 113.7 | 99.2 | -87 | -84.2 | 0 | 0 | 0 | 114.7 | |||||
| 357 | G | 31.6 | Very low | 38.9 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 151.4 | 84 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 358 | S | 30.8 | Very low | 38.8 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | 34 | 118.6 | 140.9 | -170.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 359 | H | 36.5 | Very low | 38.5 | Very low | 179 Ų | 179 | 129.9 Ų | 129.9 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | -178.7 | 146.4 | 109.6 | -83.8 | -60.9 | 0 | 0 | 0 | 111.1 | |||||
| 360 | T | 36.3 | Very low | 37.2 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -62.4 | 139.2 | -177.3 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 361 | V | 38.4 | Very low | 37 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | 175.4 | 144 | 116.7 | -83.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 362 | G | 32.7 | Very low | 37 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -78.7 | 164.8 | -161.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 363 | F | 33.2 | Very low | 36 | Very low | 192 Ų | 192 | 132.2 Ų | 132.2 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | -165.1 | 136.2 | 149.4 | -138.2 | -112.4 | 0 | 0 | 0 | 109.4 | ||||
| 364 | T | 42 | Very low | 36.2 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | trans | 59.1 | 134 | 158 | 54.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 365 | P | 43.3 | Very low | 35.7 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 135.2 | 158.5 | 34.2 | -27.2 | 0 | 0 | 0 | 110.4 | ||
| 366 | P | 47.1 | Very low | 35.6 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 138.7 | 163.5 | 33 | -27.5 | 0 | 0 | 0 | 110.2 | ||
| 367 | A | 40.4 | Very low | 35.6 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66 | 129.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 368 | T | 34.6 | Very low | 35.7 | Very low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -146.7 | 140.3 | 149.1 | 44.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 369 | L | 38.5 | Very low | 35.8 | Very low | 168 Ų | 168 | 139 Ų | 139 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | trans | -52.5 | 140.7 | 166.3 | -68.8 | 138.9 | 0 | 0 | 0 | 113.3 | ||||
| 370 | S | 30.8 | Very low | 36 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -174.2 | 109.6 | 134.1 | -85.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 371 | R | 32.3 | Very low | 35.8 | Very low | 242 Ų | 242 | 135.3 Ų | 135.3 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | 60.5 | 91.3 | 90.3 | -166.2 | -180 | -175.4 | -170.2 | 0.9 | 111.7 | |||||
| 372 | A | 32.2 | Very low | 35.6 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -123.2 | 118.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 373 | A | 32.2 | Very low | 35.5 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -86.3 | 131.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 374 | I | 36.4 | Very low | 35.7 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -134.6 | 130.5 | 154.6 | -63.6 | -173.4 | 0 | 0 | 0 | 109.5 | ||||
| 375 | A | 31.2 | Very low | 35.1 | Very low | 73 Ų | 73 | 143 Ų | 143 | 60% | 0.603 | 83% | 0.831 | S | S | * | * | trans | -37.8 | 136 | -178.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 376 | H | 31.7 | Very low | 34.5 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 83% | 0.833 | 83% | 0.83 | S | S | * | * | 22.5 | 113.7 | 126.5 | -50.4 | -53.7 | 0 | 0 | 0 | 119 | |||||
| 377 | F | 35.6 | Very low | 33.7 | Very low | 214 Ų | 214 | 140.7 Ų | 140.7 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | trans | -129.2 | 123 | 139 | -98.1 | -84.2 | 0 | 0 | 0 | 109.9 | ||||
| 378 | N | 33.2 | Very low | 33.4 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -78.7 | 136.2 | 170.1 | -102.4 | -25.9 | 0 | 0 | 0 | 109.8 | ||||
| 379 | A | 34.2 | Very low | 33.4 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -162.7 | 137.1 | 134.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 380 | P | 40.3 | Very low | 33.2 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -100 | 147.2 | -170.7 | 37.4 | -30.9 | 0 | 0 | 0 | 112.6 | ||||
| 381 | A | 32.1 | Very low | 33.3 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -158.2 | 106.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 382 | L | 33.6 | Very low | 33.5 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | 49.8 | 102 | 132.9 | -59.1 | 171.1 | 0 | 0 | 0 | 118.4 | ||||
| 383 | H | 31.7 | Very low | 33.6 | Very low | 197 Ų | 197 | 133.2 Ų | 133.2 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | -132.7 | 130.1 | 143.2 | -112.5 | -67.5 | 0 | 0 | 0 | 111.1 | ||||
| 384 | V | 35.4 | Very low | 33.9 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | -62.8 | 142.4 | -173.6 | 162.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 385 | H | 30.6 | Very low | 34 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -53.6 | 139.1 | 171.9 | -90.7 | -93.1 | 0 | 0 | 0 | 114.1 | ||||
| 386 | G | 29.7 | Very low | 34.4 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -149.6 | 107.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 387 | S | 31.5 | Very low | 35 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -53.6 | 147.8 | -174.4 | -63.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 388 | A | 32.6 | Very low | 34.9 | Very low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | 144.7 | 129.6 | 111 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 389 | S | 35.1 | Very low | 35 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -58.6 | 140.8 | -179.9 | -40.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 390 | H | 34.9 | Very low | 35.2 | Very low | 183 Ų | 183 | 143 Ų | 143 | 85% | 0.847 | 82% | 0.824 | S | S | * | * | 172.5 | 131 | 120.9 | -98.6 | -75.8 | 0 | 0 | 0 | 112.4 | |||||
| 391 | A | 32.2 | Very low | 35 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 66% | 0.661 | 82% | 0.824 | S | S | * | * | trans | 29.9 | 125.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 392 | V | 36.6 | Very low | 35.1 | Very low | 144 Ų | 144 | 145 Ų | 145 | 87% | 0.873 | 82% | 0.823 | S | S | * | * | 38.3 | 109.3 | 126.9 | -165.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 393 | A | 33.8 | Very low | 35.8 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | 150.7 | 129.7 | 124.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 394 | R | 38.8 | Very low | 35.9 | Very low | 231 Ų | 231 | 140.8 Ų | 140.8 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 134.7 | 173.9 | 179.8 | -177.1 | -179 | -165.1 | 1.7 | 110.2 | ||
| 395 | P | 39.6 | Very low | 36.3 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90 | 124.6 | 170.1 | 31.9 | -27.4 | 0 | 0 | 0 | 111.1 | ||
| 396 | S | 38.8 | Very low | 36.6 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 142.9 | 158.3 | -72 | 0 | 0 | 0 | 0 | 109.2 | ||
| 397 | P | 44.9 | Very low | 37.2 | Very low | 130 Ų | 130 | 150.3 Ų | 150.3 | 84% | 0.844 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 132.5 | 176.4 | 28.4 | -25.9 | 0 | 0 | 0 | 111.4 | ||
| 398 | R | 33.5 | Very low | 38 | Very low | 247 Ų | 247 | 155.8 Ų | 155.8 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 136 | 176.8 | -73.1 | 172.9 | 162.5 | -128.5 | -1.3 | 112 | ||
| 399 | R | 34.3 | Very low | 38.7 | Very low | 250 Ų | 250 | 156.8 Ų | 156.8 | 94% | 0.943 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 129.4 | 153.8 | -88.6 | -179.3 | 169.5 | -107.3 | 1 | 108.6 | ||
| 400 | S | 40 | Very low | 39.7 | Very low | 117 Ų | 117 | 158 Ų | 158 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 145.5 | 171.4 | 49.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 401 | N | 35.5 | Very low | 40.7 | Very low | 156 Ų | 156 | 154.5 Ų | 154.5 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.6 | 177.9 | -72.7 | -19.6 | 0 | 0 | 0 | 112.8 | ||
| 402 | S | 33.1 | Very low | 42.1 | Very low | 108 Ų | 108 | 156.2 Ų | 156.2 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | 89.9 | 166.3 | 102.4 | 96.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 403 | P | 48.5 | Very low | 42.8 | Very low | 110 Ų | 110 | 155.3 Ų | 155.3 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | cis | -131.8 | 139.5 | -28.9 | 33.2 | -16 | 0 | 0 | 0 | 112.2 | ||||
| 404 | D | 34.9 | Very low | 43.4 | Very low | 166 Ų | 166 | 156.5 Ų | 156.5 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -157.6 | 135.7 | 151.9 | -125 | -35.8 | 0 | 0 | 0 | 113.5 | F406 | D404-F406 PolarHBondContact O-N 3.45Š| ||
| 405 | K | 42.5 | Very low | 43.7 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -88.1 | 104.1 | -172.6 | -70.5 | 175 | 177.3 | -178.3 | 0 | 109.2 | ||||
| 406 | F | 37.2 | Very low | 43.5 | Very low | 214 Ų | 214 | 151.9 Ų | 151.9 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -98 | 117.3 | 159.9 | -111.7 | -94.7 | 0 | 0 | 0 | 110.5 | D404 | D404-F406 PolarHBondContact O-N 3.45Š|
| 407 | K | 43.2 | Very low | 43.3 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 139.1 | 179.5 | -68.2 | -176.8 | 175.7 | -176.7 | 0 | 110.5 | ||
| 408 | R | 48.1 | Very low | 43.1 | Very low | 231 Ų | 231 | 156.4 Ų | 156.4 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 138.6 | 163.6 | -175.6 | -178.2 | -115.7 | -126.8 | -0.4 | 109.8 | ||
| 409 | P | 47.9 | Very low | 43.3 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 134.6 | 174.4 | 27.1 | -26.7 | 0 | 0 | 0 | 111.1 | ||
| 410 | T | 55.1 | Low | 43.2 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 142.6 | 170.4 | -8.3 | 0 | 0 | 0 | 0 | 110 | ||
| 411 | P | 56.8 | Low | 42.9 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 154.2 | 170.6 | 30.3 | -32.7 | 0 | 0 | 0 | 111.6 | ||
| 412 | P | 61.4 | Low | 43 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 155.3 | -177.9 | 31 | -34.6 | 0 | 0 | 0 | 112.5 | ||
| 413 | P | 50.6 | Low | 43.7 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 134.9 | 177.8 | 31.8 | -32 | 0 | 0 | 0 | 111.6 | ||
| 414 | S | 46.6 | Very low | 43.2 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 137.9 | 167.7 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 415 | P | 45.7 | Very low | 43.7 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 138.2 | 173.9 | 32.4 | -28.7 | 0 | 0 | 0 | 112 | ||
| 416 | N | 34.2 | Very low | 43.9 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | 89.6 | 93.8 | 151.6 | -63.9 | -11.3 | 0 | 0 | 0 | 120.2 | ||||
| 417 | T | 36.1 | Very low | 44.4 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -120.1 | 107.4 | 136 | 47.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 418 | H | 39.6 | Very low | 45.1 | Very low | 183 Ų | 183 | 136 Ų | 136 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -120.7 | 117.8 | 160.6 | -88 | -72 | 0 | 0 | 0 | 108.8 | ||||
| 419 | S | 37.2 | Very low | 45.8 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -82.8 | 129.9 | 163.6 | 43.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 420 | G | 33.6 | Very low | 46 | Very low | 81 Ų | 81 | 131 Ų | 131 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -178.2 | 134.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 421 | A | 34.2 | Very low | 45.7 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -81.5 | 143.6 | -158.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 422 | Q | 37.4 | Very low | 45.2 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | 63 | 158.7 | 144.3 | -60.6 | -74.5 | -24.4 | 0 | 0 | 120.2 | ||||
| 423 | P | 46.4 | Very low | 44.6 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | cis | -128.8 | 176.3 | -10.1 | 34.1 | -13.2 | 0 | 0 | 0 | 115.7 | ||||
| 424 | L | 38 | Very low | 44.2 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | -29.5 | 143.7 | 172.8 | -66.9 | 151.8 | 0 | 0 | 0 | 119.4 | ||||
| 425 | H | 46.2 | Very low | 44 | Very low | 187 Ų | 187 | 135.6 Ų | 135.6 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | 173.1 | 161.2 | 127.7 | -91 | -61.4 | 0 | 0 | 0 | 112.2 | |||||
| 426 | P | 47.3 | Very low | 43.9 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | -104.3 | 161.6 | -125.2 | 37.8 | -33.9 | 0 | 0 | 0 | 117.7 | |||||
| 427 | L | 46.1 | Very low | 44.2 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 143.1 | 174.3 | -80.6 | 138.8 | 0 | 0 | 0 | 113.4 | ||
| 428 | P | 59.8 | Low | 44.3 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 159.6 | 166.1 | 34 | -31.1 | 0 | 0 | 0 | 112.3 | ||
| 429 | P | 62.3 | Low | 44.4 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 163.8 | -165.8 | 33.7 | -35.5 | 0 | 0 | 0 | 113.9 | ||
| 430 | P | 52.6 | Low | 44.9 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 137.8 | 177.2 | 31.9 | -32 | 0 | 0 | 0 | 111.7 | ||
| 431 | A | 47.4 | Very low | 45.7 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 135.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 432 | Q | 46.4 | Very low | 45.9 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -138.4 | 165 | 155.2 | -74.9 | -159.8 | -20.5 | 0 | 0 | 107.3 | ||||
| 433 | P | 49.6 | Very low | 46.1 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | cis | -126.4 | 166.5 | -19.3 | 29.9 | -11.2 | 0 | 0 | 0 | 111.7 | ||||
| 434 | M | 42.1 | Very low | 45.7 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | trans | -117.5 | 123.9 | 162.5 | -126.3 | 179.7 | 79.2 | 0 | 0 | 110.7 | ||||
| 435 | V | 42.6 | Very low | 45.8 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -74.3 | 127.4 | -179.9 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 436 | Q | 43.1 | Very low | 45.7 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -135.5 | 112.6 | 152.7 | -87.7 | -171.3 | -4.3 | 0 | 0 | 110.7 | ||||
| 437 | S | 39.6 | Very low | 45.4 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | -61.7 | 130.7 | 164 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 438 | M | 39.7 | Very low | 45.5 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -142 | 132.2 | 145.3 | -80.8 | -60.4 | 164.8 | 0 | 0 | 109.2 | ||||
| 439 | S | 40.6 | Very low | 44.7 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -75.9 | 156.9 | -167.3 | 39.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 440 | S | 47.1 | Very low | 43.9 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -45.5 | 159.3 | 177.3 | -39.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 441 | P | 50.5 | Low | 44.6 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -94.2 | 129.5 | 152.5 | 33.3 | -23.3 | 0 | 0 | 0 | 110.6 | ||||
| 442 | A | 39.6 | Very low | 45.6 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -101.6 | 153.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 443 | A | 41 | Very low | 46.3 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -71.2 | -173.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 444 | M | 38.8 | Very low | 46.5 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 109.1 | 139.1 | 165.7 | -65.4 | -174.5 | 75.6 | 0 | 0 | 113 | ||||
| 445 | S | 39.6 | Very low | 47.8 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 69% | 0.685 | 83% | 0.825 | S | S | * | * | cis | -167.2 | 157 | -4 | 179.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 446 | Q | 44.9 | Very low | 48.1 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -56.5 | 141.7 | 168.2 | -60.2 | 170.6 | -2.3 | 0 | 0 | 111.6 | ||||
| 447 | H | 40.1 | Very low | 48.3 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -163.5 | 136 | 140.3 | -109.3 | -60 | 0 | 0 | 0 | 111.8 | ||||
| 448 | A | 47.8 | Very low | 48.8 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 79% | 0.793 | 84% | 0.835 | S | S | * | * | trans | -76.1 | 150.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 449 | A | 43 | Very low | 49.4 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -170.9 | 121 | 147.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 450 | H | 46.6 | Very low | 49.9 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | trans | -65.2 | 179.5 | 148.1 | -90.4 | -72.1 | 0 | 0 | 0 | 110.3 | ||||
| 451 | P | 66.5 | Low | 50.1 | Low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 84% | 0.84 | S | S | * | * | cis | -137.4 | -141.9 | 4.2 | 42.9 | -21 | 0 | 0 | 0 | 110.4 | ||||
| 452 | P | 68.4 | Low | 50.1 | Low | 117 Ų | 117 | 138.1 Ų | 138.1 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | cis | -126.7 | 176.1 | -28.1 | 33.4 | -13.7 | 0 | 0 | 0 | 114.7 | ||||
| 453 | S | 60.4 | Low | 50.9 | Low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -68.2 | 163.1 | 171.3 | -41.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 454 | Q | 55.3 | Low | 51.7 | Low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 84% | 0.84 | S | S | * | * | trans | 94.8 | 154.2 | 152 | -82.5 | -165.9 | -3.4 | 0 | 0 | 120.2 | ||||
| 455 | P | 68.8 | Low | 52.9 | Low | 188 Ų | 188 | 141.3 Ų | 141.3 | 100% | 1.221 | 84% | 0.836 | S | S | * | * | cis | -99 | 0 | 6.7 | 29.3 | -15.5 | 0 | 0 | 0 | 116.1 |
Retrieved 455 of 455 residues in 167.4 ms
(Link to these results)