| 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 | 36.8 | Very low | 40.5 | Very low | 235 Ų | 235 | 166.4 Ų | 166.4 | 100% | 1.158 | 85% | 0.851 | S | S | * | * | 0 | 151.8 | 0 | -70 | -177.8 | 69.3 | 0 | 0 | 109.9 | |||||
| 2 | P | 45.3 | Very low | 39.9 | Very low | 110 Ų | 110 | 161.3 Ų | 161.3 | 71% | 0.714 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 155.2 | 166.4 | 37.3 | -31.8 | 0 | 0 | 0 | 112.3 | ||
| 3 | P | 50.1 | Low | 39 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 83% | 0.831 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 155.1 | 157.8 | -12.3 | 29.3 | 0 | 0 | 0 | 111.5 | ||
| 4 | K | 39.6 | Very low | 38.2 | Very low | 211 Ų | 211 | 155.2 Ų | 155.2 | 92% | 0.917 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 157.7 | 179.2 | -69.8 | 177.2 | 179.1 | 174.4 | 0 | 112.3 | ||
| 5 | K | 48.8 | Very low | 37.7 | Very low | 196 Ų | 196 | 153.7 Ų | 153.7 | 85% | 0.852 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 144.3 | 162.7 | -68.2 | -178.9 | 176.1 | -178.6 | 0 | 111.1 | ||
| 6 | Q | 39.8 | Very low | 37.1 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -132.6 | 121.8 | 142.8 | -69.3 | 173.1 | -42.3 | 0 | 0 | 104.7 | ||||
| 7 | Q | 37.7 | Very low | 36.8 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 75% | 0.748 | 84% | 0.836 | S | S | * | * | cis | 84.3 | 113.2 | 46.8 | -86.4 | -157.4 | -18 | 0 | 0 | 115.9 | ||||
| 8 | L | 34.8 | Very low | 36.4 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 74% | 0.738 | 83% | 0.83 | S | S | * | * | trans | 76.7 | 145.9 | 148.3 | -56.8 | 167 | 0 | 0 | 0 | 116.2 | ||||
| 9 | K | 35.2 | Very low | 36.2 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 82% | 0.817 | 83% | 0.829 | S | S | * | * | cis | -148.4 | 167.1 | 6.1 | -126.9 | 171.3 | -178.2 | -175.2 | 0 | 110 | ||||
| 10 | P | 47.1 | Very low | 35.9 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | trans | -102.6 | 170 | -176.5 | 39.3 | -31.5 | 0 | 0 | 0 | 114.4 | ||||
| 11 | T | 30.5 | Very low | 35.9 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | trans | -131 | 161.4 | 165.8 | 36.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 12 | A | 32.6 | Very low | 35.6 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -130.2 | 152 | -161.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 13 | A | 28.5 | Very low | 35.2 | Very low | 87 Ų | 87 | 145.8 Ų | 145.8 | 72% | 0.719 | 82% | 0.817 | S | S | * | * | trans | -163.8 | 118.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 14 | N | 28.6 | Very low | 34.3 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 81% | 0.807 | 82% | 0.819 | S | S | * | * | 65.2 | 102.8 | 92.7 | -65.3 | 1 | 0 | 0 | 0 | 112.9 | |||||
| 15 | V | 30.2 | Very low | 34 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | 89.7 | 106.6 | 71.2 | 165 | 0 | 0 | 0 | 0 | 113 | |||||
| 16 | S | 27.6 | Very low | 33.1 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | 170.3 | 130.6 | 151.1 | -72.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 17 | S | 32.7 | Very low | 32.7 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | cis | 72.6 | 78 | 17.5 | -160.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 18 | S | 29 | Very low | 32.4 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -141.9 | 140.6 | 135.2 | -136 | 0 | 0 | 0 | 0 | 107.4 | D20 | S18-D20 PolarHBondContact OG-OD2 3.32Š| ||
| 19 | L | 32.7 | Very low | 32.2 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | trans | -148.9 | 92.6 | 178 | -170.3 | 163.5 | 0 | 0 | 0 | 105.6 | ||||
| 20 | D | 30.2 | Very low | 32.4 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 69% | 0.69 | 81% | 0.81 | S | S | * | * | trans | -122.7 | 130.3 | -173 | -64.8 | -74.6 | 0 | 0 | 0 | 109 | S18 | S18-D20 PolarHBondContact OG-OD2 3.32Š| ||
| 21 | L | 36.2 | Very low | 31.7 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -102.8 | 103.3 | 178.3 | -86.8 | 152.1 | 0 | 0 | 0 | 107.4 | ||||
| 22 | E | 30.6 | Very low | 32.2 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -122.3 | 126.3 | 164.7 | -68.1 | -165.4 | 145 | 0 | 0 | 109.8 | ||||
| 23 | S | 37 | Very low | 32.7 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -107.5 | 129.3 | -179.4 | 52.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 24 | E | 31.2 | Very low | 33.3 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -132.7 | 127.9 | 158.3 | -70.3 | -159.3 | 139 | 0 | 0 | 110 | ||||
| 25 | D | 34.1 | Very low | 33.3 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -76.7 | 128.2 | 168.8 | -69.8 | -64.9 | 0 | 0 | 0 | 109.5 | ||||
| 26 | L | 28.3 | Very low | 33.2 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -129.3 | 100 | 164.5 | -89.3 | 172.4 | 0 | 0 | 0 | 111.2 | ||||
| 27 | S | 32 | Very low | 33.3 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -62.9 | 152 | 166.8 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 28 | L | 31.3 | Very low | 33.1 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 175.2 | 112.9 | 137.1 | -89.5 | 152 | 0 | 0 | 0 | 106.2 | ||||
| 29 | E | 30.6 | Very low | 33.3 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | 57.5 | 106.9 | 87.2 | -62.5 | -176.5 | 178.2 | 0 | 0 | 111.4 | |||||
| 30 | T | 39.1 | Very low | 33.1 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | cis | 65.9 | 69.5 | 40.8 | -36.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 31 | T | 32.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -126.8 | 106 | 175.4 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 32 | V | 42.8 | Very low | 32.9 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -129.8 | 108.4 | 155.2 | 176.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 33 | P | 41.5 | Very low | 33 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | -133.9 | 146.4 | 128.9 | 15.7 | 5.3 | 0 | 0 | 0 | 110.5 | |||||
| 34 | T | 42.5 | Very low | 33.1 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | cis | 66.9 | 78 | 46.9 | 72.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 35 | T | 27.1 | Very low | 33.2 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -165.4 | 145.6 | 157.4 | 39.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 36 | E | 28.9 | Very low | 33.3 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | cis | -162.5 | -163.4 | -8.8 | -125.1 | 168 | -159 | 0 | 0 | 108.1 | ||||
| 37 | D | 29.5 | Very low | 33.4 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -55 | 177.8 | 173.6 | -60.1 | -72.7 | 0 | 0 | 0 | 114.3 | ||||
| 38 | V | 29.3 | Very low | 34.1 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | -166.2 | 144.7 | 63.2 | 170.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 39 | S | 31.5 | Very low | 34.4 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 19.9 | 152.5 | 142.8 | -136.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 40 | S | 28.8 | Very low | 35.2 | Very low | 94 Ų | 94 | 139 Ų | 139 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | 179.9 | 158 | 52.1 | 58.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 41 | S | 30.3 | Very low | 35.5 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | 62.4 | 158.9 | 138.2 | -72.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 42 | D | 31.8 | Very low | 36.9 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | cis | -159 | 177.9 | -12.5 | -112.7 | 33.5 | 0 | 0 | 0 | 107.4 | ||||
| 43 | E | 33.5 | Very low | 37.9 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | cis | -131.6 | 167.4 | 1.5 | -170.5 | -136.7 | 178.8 | 0 | 0 | 107.9 | R45 | E43-R45 WeakPolarHBondContact OE1-CD 3.2Å; E43-R45 IonicContact OE1-NE 2.76Å; E43-R45 PolarHBondContact OE1-NE 3.36Å | ||
| 44 | Q | 38.9 | Very low | 39.2 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -84.3 | 126.1 | 160.6 | -57.6 | 140 | -41.8 | 0 | 0 | 110.2 | ||||
| 45 | R | 34.3 | Very low | 40.4 | Very low | 220 Ų | 220 | 138 Ų | 138 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | trans | -163.1 | 156.2 | 147.5 | -112 | 154.5 | -154.2 | -130.7 | -4.2 | 115.6 | E43 | E43-R45 WeakPolarHBondContact OE1-CD 3.2Å; E43-R45 IonicContact OE1-NE 2.76Å; E43-R45 PolarHBondContact OE1-NE 3.36Å | ||
| 46 | N | 35.2 | Very low | 42.6 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 93% | 0.925 | 72% | 0.722 | S | S | * | * | trans | -68.9 | 135.8 | 178.5 | -64.6 | -39.1 | 0 | 0 | 0 | 111.5 | ||||
| 47 | G | 31.4 | Very low | 44.9 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | trans | -166.8 | 102.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q49 | G47-Q49 PolarHBondContact O-N 2.89Š| ||
| 48 | S | 46.4 | Very low | 47.4 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 92% | 0.916 | 69% | 0.693 | S | S | * | * | trans | -75 | 82.9 | 177.3 | 57 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 49 | Q | 36.5 | Very low | 49.8 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 85% | 0.846 | 69% | 0.687 | S | S | * | * | trans | -122.6 | 145.5 | 173.9 | -66.9 | -166.2 | -7.1 | 0 | 0 | 111.8 | G47 | G47-Q49 PolarHBondContact O-N 2.89Š| ||
| 50 | K | 47.7 | Very low | 52.1 | Low | 192 Ų | 192 | 134 Ų | 134 | 84% | 0.835 | 68% | 0.676 | S | S | * | * | trans | -68.8 | 133.7 | -166.4 | -60.9 | 171.8 | -176.4 | 174.9 | 0 | 110.2 | T52 | K50-T52 PolarHBondContact O-N 3.19Š| ||
| 51 | V | 45.3 | Very low | 54.7 | Low | 107 Ų | 107 | 135 Ų | 135 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | trans | -65.7 | 96.5 | 170.4 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | I56 | V51-I56 HydrophobicContact CG1-CD1 3.92Å; V51-I56 HydrophobicContact CG1-CG1 3.76Å | ||
| 52 | T | 61.3 | Low | 57.2 | Low | 75 Ų | 75 | 134.7 Ų | 134.7 | 46% | 0.46 | 66% | 0.664 | S | S | . | * | trans | -72.6 | 144.6 | 168.5 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | K50 Q54 L55 | K50-T52 PolarHBondContact O-N 3.19Å; T52-Q54 PolarHBondContact O-N 2.93Å; T52-L55 WeakPolarHBondContact O-CB 3.22Å; T52-L55 PolarHBondContact O-N 3.34Å | ||
| 53 | R | 65 | Low | 59.8 | Low | 190 Ų | 190 | 132.8 Ų | 132.8 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -47.1 | -37.8 | -177.3 | 179.7 | 177.2 | 157.5 | 163.1 | 0.4 | 113.8 | L55 I56 E57 | R53-L55 VanDerWaalsContact C-N 3.26Å; R53-L55 PolarHBondContact O-N 3.25Å; R53-I56 WeakPolarHBondContact O-CB 3.49Å; R53-I56 PolarHBondContact O-N 3.29Å; R53-E57 HydrophobicContact CG-CG 4.3Å; R53-E57 IonicContact CZ-OE1 2.61Å; R53-E57 VanDerWaalsContact CZ-OE1 3.31Å; R53-E57 IonicContact NE-OE1 3.25Å; R53-E57 PolarHBondContact NE-OE1 3.18Å; R53-E57 IonicContact NE-OE2 2.61Å; R53-E57 IonicContact NH2-OE1 2.68Å; R53-E57 PolarHBondContact NH2-OE1 3.2Å; R53-E57 PolarHBondContact O-N 3.42Å |
| 54 | Q | 68 | Low | 62.4 | Low | 143 Ų | 143 | 129.7 Ų | 129.7 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -56.7 | -30.2 | 176.5 | -66.8 | 170.1 | -25.7 | 0 | 0 | 114.6 | T52 R58 | T52-Q54 PolarHBondContact O-N 2.93Å; Q54-R58 WeakPolarHBondContact O-CB 3.48Å; Q54-R58 PolarHBondContact O-N 2.98Å |
| 55 | L | 68.9 | Low | 64.7 | Low | 96 Ų | 96 | 125.9 Ų | 125.9 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -75.4 | -28.1 | 176.4 | -87.3 | 164.1 | 0 | 0 | 0 | 112.8 | T52 R53 K59 | T52-L55 WeakPolarHBondContact O-CB 3.22Å; T52-L55 PolarHBondContact O-N 3.34Å; R53-L55 VanDerWaalsContact C-N 3.26Å; R53-L55 PolarHBondContact O-N 3.25Å; L55-K59 WeakPolarHBondContact O-CG 3.37Å; L55-K59 PolarHBondContact O-N 2.82Å |
| 56 | I | 72 | Confident | 67.3 | Low | 84 Ų | 84 | 121.2 Ų | 121.2 | 43% | 0.431 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -76.1 | -51.9 | 173.5 | -58.5 | 177.1 | 0 | 0 | 0 | 108.4 | V51 R53 R58 K59 E60 | V51-I56 HydrophobicContact CG1-CD1 3.92Å; V51-I56 HydrophobicContact CG1-CG1 3.76Å; R53-I56 WeakPolarHBondContact O-CB 3.49Å; R53-I56 PolarHBondContact O-N 3.29Å; I56-R58 PolarHBondContact O-N 3.34Å; I56-K59 WeakPolarHBondContact O-CA 3.17Å; I56-K59 PolarHBondContact O-N 3.49Å; I56-E60 HydrophobicContact CG2-CG 4.31Å; I56-E60 WeakPolarHBondContact CG2-OE1 3.36Å; I56-E60 WeakPolarHBondContact O-CG 3.4Å; I56-E60 PolarHBondContact O-N 3.15Å |
| 57 | E | 77.2 | Confident | 69.8 | Low | 67 Ų | 67 | 116.7 Ų | 116.7 | 31% | 0.313 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -55 | -39.4 | 176.5 | -68.7 | 168.7 | 155.1 | 0 | 0 | 111.5 | R53 L61 | R53-E57 HydrophobicContact CG-CG 4.3Å; R53-E57 IonicContact CZ-OE1 2.61Å; R53-E57 VanDerWaalsContact CZ-OE1 3.31Å; R53-E57 IonicContact NE-OE1 3.25Å; R53-E57 PolarHBondContact NE-OE1 3.18Å; R53-E57 IonicContact NE-OE2 2.61Å; R53-E57 IonicContact NH2-OE1 2.68Å; R53-E57 PolarHBondContact NH2-OE1 3.2Å; R53-E57 PolarHBondContact O-N 3.42Å; E57-L61 VanDerWaalsContact O-CB 3.32Å; E57-L61 WeakPolarHBondContact O-CB 3.35Å; E57-L61 VanDerWaalsContact O-CG 3.22Å; E57-L61 WeakPolarHBondContact O-CG 3.49Å; E57-L61 PolarHBondContact O-N 3.28Å |
| 58 | R | 81.2 | Confident | 72.5 | Confident | 174 Ų | 174 | 118.5 Ų | 118.5 | 66% | 0.657 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.1 | -34.1 | 173.9 | -175.6 | 171.7 | 178.8 | 167.1 | -0.6 | 113.6 | Q54 I56 L62 | Q54-R58 WeakPolarHBondContact O-CB 3.48Å; Q54-R58 PolarHBondContact O-N 2.98Å; I56-R58 PolarHBondContact O-N 3.34Å; R58-L62 HydrophobicContact CG-CD1 4.36Å; R58-L62 WeakPolarHBondContact O-CB 3.41Å; R58-L62 WeakPolarHBondContact O-CD1 3.33Å; R58-L62 VanDerWaalsContact O-CG 3.25Å; R58-L62 WeakPolarHBondContact O-CG 3.38Å; R58-L62 PolarHBondContact O-N 3.4Å; R58-L62 VanDerWaalsContact O-N 3.09Å |
| 59 | K | 80.9 | Confident | 74.5 | Confident | 157 Ų | 157 | 119.2 Ų | 119.2 | 68% | 0.683 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74.8 | -38.8 | 175.5 | -79.6 | -173.7 | 175.3 | -171.4 | 0 | 112 | L55 I56 L62 H63 | L55-K59 WeakPolarHBondContact O-CG 3.37Å; L55-K59 PolarHBondContact O-N 2.82Å; I56-K59 WeakPolarHBondContact O-CA 3.17Å; I56-K59 PolarHBondContact O-N 3.49Å; K59-L62 PolarHBondContact O-N 3.47Å; K59-H63 WeakPolarHBondContact O-CB 3.44Å; K59-H63 PolarHBondContact O-N 3.28Å |
| 60 | E | 80.1 | Confident | 77 | Confident | 114 Ų | 114 | 114.7 Ų | 114.7 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 173.4 | -69.7 | 169.7 | 167 | 0 | 0 | 110.8 | I56 L62 H63 T64 | I56-E60 HydrophobicContact CG2-CG 4.31Å; I56-E60 WeakPolarHBondContact CG2-OE1 3.36Å; I56-E60 WeakPolarHBondContact O-CG 3.4Å; I56-E60 PolarHBondContact O-N 3.15Å; E60-L62 VanDerWaalsContact C-N 3.33Å; E60-L62 PolarHBondContact O-N 3.34Å; E60-H63 PolarHBondContact O-N 2.98Å; E60-H63 VanDerWaalsContact O-N 3.17Å; E60-T64 PolarHBondContact O-N 2.93Å; E60-T64 PolarHBondContact O-OG1 3.13Å |
| 61 | L | 83.1 | Confident | 79 | Confident | 115 Ų | 115 | 110.8 Ų | 110.8 | 60% | 0.602 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.9 | -33.7 | 174.4 | -73.9 | 169.6 | 0 | 0 | 0 | 113.4 | E57 T64 L65 | E57-L61 VanDerWaalsContact O-CB 3.32Å; E57-L61 WeakPolarHBondContact O-CB 3.35Å; E57-L61 VanDerWaalsContact O-CG 3.22Å; E57-L61 WeakPolarHBondContact O-CG 3.49Å; E57-L61 PolarHBondContact O-N 3.28Å; L61-T64 WeakPolarHBondContact CA-OG1 3.42Å; L61-T64 PolarHBondContact O-OG1 2.92Å; L61-L65 WeakPolarHBondContact O-CB 3.36Å; L61-L65 PolarHBondContact O-N 3.5Å |
| 62 | L | 83.3 | Confident | 81.1 | Confident | 93 Ų | 93 | 110.9 Ų | 110.9 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71 | -36.9 | 173.1 | -78.1 | 168.3 | 0 | 0 | 0 | 112 | R58 K59 E60 L65 Q66 | R58-L62 HydrophobicContact CG-CD1 4.36Å; R58-L62 WeakPolarHBondContact O-CB 3.41Å; R58-L62 WeakPolarHBondContact O-CD1 3.33Å; R58-L62 VanDerWaalsContact O-CG 3.25Å; R58-L62 WeakPolarHBondContact O-CG 3.38Å; R58-L62 PolarHBondContact O-N 3.4Å; R58-L62 VanDerWaalsContact O-N 3.09Å; K59-L62 PolarHBondContact O-N 3.47Å; E60-L62 VanDerWaalsContact C-N 3.33Å; E60-L62 PolarHBondContact O-N 3.34Å; L62-L65 WeakPolarHBondContact O-CB 3.48Å; L62-L65 PolarHBondContact O-N 3.28Å; L62-Q66 PolarHBondContact O-N 3.47Å |
| 63 | H | 86.3 | Confident | 82.4 | Confident | 106 Ų | 106 | 110.4 Ų | 110.4 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.5 | -42.7 | 176.8 | -175.4 | 51.5 | 0 | 0 | 0 | 111.9 | K59 E60 L65 Q66 L67 | K59-H63 WeakPolarHBondContact O-CB 3.44Å; K59-H63 PolarHBondContact O-N 3.28Å; E60-H63 PolarHBondContact O-N 2.98Å; E60-H63 VanDerWaalsContact O-N 3.17Å; H63-L65 VanDerWaalsContact C-N 3.31Å; H63-L65 PolarHBondContact O-N 3.36Å; H63-Q66 WeakPolarHBondContact O-CB 3.47Å; H63-Q66 PolarHBondContact O-N 3.32Å; H63-Q66 VanDerWaalsContact O-N 3.11Å; H63-L67 WeakPolarHBondContact O-CG 3.49Å; H63-L67 PolarHBondContact O-N 2.91Å |
| 64 | T | 86.8 | Confident | 83.7 | Confident | 66 Ų | 66 | 106.6 Ų | 106.6 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 172.8 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | E60 L61 Q66 L67 L68 | E60-T64 PolarHBondContact O-N 2.93Å; E60-T64 PolarHBondContact O-OG1 3.13Å; L61-T64 WeakPolarHBondContact CA-OG1 3.42Å; L61-T64 PolarHBondContact O-OG1 2.92Å; T64-Q66 VanDerWaalsContact C-N 3.34Å; T64-Q66 PolarHBondContact O-N 3.01Å; T64-L67 PolarHBondContact O-N 3.04Å; T64-L68 WeakPolarHBondContact O-CB 3.19Å; T64-L68 VanDerWaalsContact O-CG 3.26Å; T64-L68 WeakPolarHBondContact O-CG 3.5Å; T64-L68 PolarHBondContact O-N 3.14Å |
| 65 | L | 88.2 | Confident | 84.8 | Confident | 94 Ų | 94 | 106.2 Ų | 106.2 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 169.4 | -110.7 | 165.2 | 0 | 0 | 0 | 113.3 | L61 L62 H63 K69 | L61-L65 WeakPolarHBondContact O-CB 3.36Å; L61-L65 PolarHBondContact O-N 3.5Å; L62-L65 WeakPolarHBondContact O-CB 3.48Å; L62-L65 PolarHBondContact O-N 3.28Å; H63-L65 VanDerWaalsContact C-N 3.31Å; H63-L65 PolarHBondContact O-N 3.36Å; L65-K69 WeakPolarHBondContact O-CB 3.38Å; L65-K69 VanDerWaalsContact O-CG 3.31Å; L65-K69 WeakPolarHBondContact O-CG 3.31Å; L65-K69 PolarHBondContact O-N 3.46Å |
| 66 | Q | 88.4 | Confident | 85.9 | Confident | 123 Ų | 123 | 105.3 Ų | 105.3 | 58% | 0.575 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.7 | -44.6 | 173.5 | -77.1 | -179 | -41.5 | 0 | 0 | 111.7 | L62 H63 T64 K69 I70 | L62-Q66 PolarHBondContact O-N 3.47Å; H63-Q66 WeakPolarHBondContact O-CB 3.47Å; H63-Q66 PolarHBondContact O-N 3.32Å; H63-Q66 VanDerWaalsContact O-N 3.11Å; T64-Q66 VanDerWaalsContact C-N 3.34Å; T64-Q66 PolarHBondContact O-N 3.01Å; Q66-K69 PolarHBondContact O-N 3.27Å; Q66-I70 WeakPolarHBondContact O-CG1 3.2Å; Q66-I70 PolarHBondContact O-N 2.94Å |
| 67 | L | 87.9 | Confident | 86.9 | Confident | 77 Ų | 77 | 106.4 Ų | 106.4 | 40% | 0.403 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 175.5 | -68.4 | 172.7 | 0 | 0 | 0 | 111.2 | H63 T64 K69 I70 E71 | H63-L67 WeakPolarHBondContact O-CG 3.49Å; H63-L67 PolarHBondContact O-N 2.91Å; T64-L67 PolarHBondContact O-N 3.04Å; L67-K69 VanDerWaalsContact C-N 3.31Å; L67-K69 PolarHBondContact O-N 2.83Å; L67-I70 PolarHBondContact O-N 3.34Å; L67-I70 VanDerWaalsContact O-N 3.08Å; L67-E71 WeakPolarHBondContact O-CG 3.3Å; L67-E71 PolarHBondContact O-N 3.43Å |
| 68 | L | 88.1 | Confident | 87.6 | Confident | 103 Ų | 103 | 107.4 Ų | 107.4 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -34.4 | 176.1 | -72.1 | 169 | 0 | 0 | 0 | 112.8 | T64 L72 | T64-L68 WeakPolarHBondContact O-CB 3.19Å; T64-L68 VanDerWaalsContact O-CG 3.26Å; T64-L68 WeakPolarHBondContact O-CG 3.5Å; T64-L68 PolarHBondContact O-N 3.14Å; L68-L72 VanDerWaalsContact O-CB 3.24Å; L68-L72 WeakPolarHBondContact O-CB 3.21Å; L68-L72 PolarHBondContact O-N 3.24Å |
| 69 | K | 88.4 | Confident | 88.1 | Confident | 146 Ų | 146 | 103.2 Ų | 103.2 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.1 | -39.3 | 171.8 | -82.1 | -178.4 | 175.2 | -170 | 0 | 112.4 | L65 Q66 L67 L72 S73 | L65-K69 WeakPolarHBondContact O-CB 3.38Å; L65-K69 VanDerWaalsContact O-CG 3.31Å; L65-K69 WeakPolarHBondContact O-CG 3.31Å; L65-K69 PolarHBondContact O-N 3.46Å; Q66-K69 PolarHBondContact O-N 3.27Å; L67-K69 VanDerWaalsContact C-N 3.31Å; L67-K69 PolarHBondContact O-N 2.83Å; K69-L72 PolarHBondContact O-N 3.48Å; K69-S73 WeakPolarHBondContact O-CB 3.39Å; K69-S73 PolarHBondContact O-N 2.81Å; K69-S73 PolarHBondContact O-OG 3.31Å |
| 70 | I | 88.5 | Confident | 88.6 | Confident | 87 Ų | 87 | 99.4 Ų | 99.4 | 45% | 0.446 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -48.2 | 176.3 | -68.3 | 163.7 | 0 | 0 | 0 | 109.8 | Q66 L67 L72 S73 Q74 | Q66-I70 WeakPolarHBondContact O-CG1 3.2Å; Q66-I70 PolarHBondContact O-N 2.94Å; L67-I70 PolarHBondContact O-N 3.34Å; L67-I70 VanDerWaalsContact O-N 3.08Å; I70-L72 PolarHBondContact O-N 3.08Å; I70-S73 PolarHBondContact O-N 3.47Å; I70-S73 VanDerWaalsContact O-N 3.16Å; I70-S73 PolarHBondContact O-OG 2.75Å; I70-Q74 WeakPolarHBondContact O-CG 3.32Å; I70-Q74 PolarHBondContact O-N 3.43Å |
| 71 | E | 90.5 | Very high | 89.2 | Confident | 110 Ų | 110 | 98.2 Ų | 98.2 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 173.6 | -72.1 | 179.6 | -177 | 0 | 0 | 111.8 | L67 S73 Q74 K75 | L67-E71 WeakPolarHBondContact O-CG 3.3Å; L67-E71 PolarHBondContact O-N 3.43Å; E71-S73 PolarHBondContact O-N 2.82Å; E71-Q74 PolarHBondContact O-N 3.01Å; E71-K75 VanDerWaalsContact O-CG 3.3Å; E71-K75 WeakPolarHBondContact O-CG 3.48Å; E71-K75 PolarHBondContact O-N 3.26Å |
| 72 | L | 89 | Confident | 89.6 | Confident | 108 Ų | 108 | 97.5 Ų | 97.5 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.7 | -44.5 | 175.5 | -167.9 | 97.3 | 0 | 0 | 0 | 111.5 | L68 K69 I70 Q74 K75 N76 | L68-L72 VanDerWaalsContact O-CB 3.24Å; L68-L72 WeakPolarHBondContact O-CB 3.21Å; L68-L72 PolarHBondContact O-N 3.24Å; K69-L72 PolarHBondContact O-N 3.48Å; I70-L72 PolarHBondContact O-N 3.08Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 3.36Å; L72-K75 PolarHBondContact O-N 3.42Å; L72-N76 WeakPolarHBondContact O-CB 3.42Å; L72-N76 PolarHBondContact O-N 3.24Å; L72-N76 PolarHBondContact O-OD1 3.12Å |
| 73 | S | 89.6 | Confident | 90 | Very high | 66 Ų | 66 | 98.6 Ų | 98.6 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 177.1 | 72.4 | 0 | 0 | 0 | 0 | 112.8 | K69 I70 E71 N76 L77 | K69-S73 WeakPolarHBondContact O-CB 3.39Å; K69-S73 PolarHBondContact O-N 2.81Å; K69-S73 PolarHBondContact O-OG 3.31Å; I70-S73 PolarHBondContact O-N 3.47Å; I70-S73 VanDerWaalsContact O-N 3.16Å; I70-S73 PolarHBondContact O-OG 2.75Å; E71-S73 PolarHBondContact O-N 2.82Å; S73-N76 PolarHBondContact O-N 3.15Å; S73-L77 WeakPolarHBondContact O-CB 3.46Å; S73-L77 PolarHBondContact O-N 3.16Å |
| 74 | Q | 90.6 | Very high | 90.3 | Very high | 110 Ų | 110 | 96.3 Ų | 96.3 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 174.6 | -71.2 | 174.9 | 4.2 | 0 | 0 | 111.6 | I70 E71 L72 L77 I78 | I70-Q74 WeakPolarHBondContact O-CG 3.32Å; I70-Q74 PolarHBondContact O-N 3.43Å; E71-Q74 PolarHBondContact O-N 3.01Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 3.36Å; Q74-L77 PolarHBondContact O-N 3.44Å; Q74-I78 WeakPolarHBondContact O-CD1 3.44Å; Q74-I78 VanDerWaalsContact O-CG1 3.24Å; Q74-I78 WeakPolarHBondContact O-CG1 3.12Å; Q74-I78 PolarHBondContact O-N 3.11Å |
| 75 | K | 91.7 | Very high | 90.6 | Very high | 135 Ų | 135 | 98.5 Ų | 98.5 | 59% | 0.587 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.2 | -40.9 | 174.1 | -68.2 | -62.9 | -180 | -174.4 | 0 | 111.8 | E71 L72 I78 I79 | E71-K75 VanDerWaalsContact O-CG 3.3Å; E71-K75 WeakPolarHBondContact O-CG 3.48Å; E71-K75 PolarHBondContact O-N 3.26Å; L72-K75 PolarHBondContact O-N 3.42Å; K75-I78 PolarHBondContact O-N 2.9Å; K75-I79 WeakPolarHBondContact O-CB 3.38Å; K75-I79 WeakPolarHBondContact O-CD1 3.41Å; K75-I79 VanDerWaalsContact O-CG1 3.26Å; K75-I79 WeakPolarHBondContact O-CG1 3.28Å; K75-I79 PolarHBondContact O-N 2.88Å |
| 76 | N | 91.4 | Very high | 90.8 | Very high | 76 Ų | 76 | 99.8 Ų | 99.8 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 173.9 | -69.3 | -6.3 | 0 | 0 | 0 | 111 | L72 S73 I78 I79 D80 | L72-N76 WeakPolarHBondContact O-CB 3.42Å; L72-N76 PolarHBondContact O-N 3.24Å; L72-N76 PolarHBondContact O-OD1 3.12Å; S73-N76 PolarHBondContact O-N 3.15Å; N76-I78 VanDerWaalsContact C-N 3.31Å; N76-I78 PolarHBondContact O-N 2.87Å; N76-I79 CarbonylContact O-C 3.58Å; N76-I79 WeakPolarHBondContact O-CA 3.27Å; N76-I79 WeakPolarHBondContact O-CB 3.41Å; N76-I79 PolarHBondContact O-N 2.9Å; N76-D80 WeakPolarHBondContact O-CB 3.4Å; N76-D80 VanDerWaalsContact O-CG 3.32Å; N76-D80 PolarHBondContact O-N 3.29Å |
| 77 | L | 93.6 | Very high | 91 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.1 | -39.4 | 176.5 | -174.4 | 66.7 | 0 | 0 | 0 | 112.6 | S73 Q74 D80 N81 | S73-L77 WeakPolarHBondContact O-CB 3.46Å; S73-L77 PolarHBondContact O-N 3.16Å; Q74-L77 PolarHBondContact O-N 3.44Å; L77-D80 PolarHBondContact O-N 3.35Å; L77-N81 WeakPolarHBondContact O-CB 3.47Å; L77-N81 VanDerWaalsContact O-CG 3.25Å; L77-N81 PolarHBondContact O-N 3.08Å |
| 78 | I | 92.2 | Very high | 91.2 | Very high | 89 Ų | 89 | 98.4 Ų | 98.4 | 46% | 0.456 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 173.7 | -69.2 | 162.6 | 0 | 0 | 0 | 110.9 | Q74 K75 N76 D80 M82 | Q74-I78 WeakPolarHBondContact O-CD1 3.44Å; Q74-I78 VanDerWaalsContact O-CG1 3.24Å; Q74-I78 WeakPolarHBondContact O-CG1 3.12Å; Q74-I78 PolarHBondContact O-N 3.11Å; K75-I78 PolarHBondContact O-N 2.9Å; N76-I78 VanDerWaalsContact C-N 3.31Å; N76-I78 PolarHBondContact O-N 2.87Å; I78-D80 VanDerWaalsContact C-N 3.34Å; I78-M82 HydrophobicContact CG2-SD 4.3Å; I78-M82 WeakPolarHBondContact O-CB 3.43Å; I78-M82 VanDerWaalsContact O-CG 3.32Å; I78-M82 WeakPolarHBondContact O-CG 3.39Å; I78-M82 PolarHBondContact O-N 3.4Å |
| 79 | I | 90.9 | Very high | 91.5 | Very high | 86 Ų | 86 | 98.1 Ų | 98.1 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.9 | -73.9 | 164.1 | 0 | 0 | 0 | 111 | K75 N76 M82 K83 | K75-I79 WeakPolarHBondContact O-CB 3.38Å; K75-I79 WeakPolarHBondContact O-CD1 3.41Å; K75-I79 VanDerWaalsContact O-CG1 3.26Å; K75-I79 WeakPolarHBondContact O-CG1 3.28Å; K75-I79 PolarHBondContact O-N 2.88Å; N76-I79 CarbonylContact O-C 3.58Å; N76-I79 WeakPolarHBondContact O-CA 3.27Å; N76-I79 WeakPolarHBondContact O-CB 3.41Å; N76-I79 PolarHBondContact O-N 2.9Å; I79-M82 PolarHBondContact O-N 3.04Å; I79-K83 HydrophobicContact CG2-CD 4.48Å; I79-K83 WeakPolarHBondContact O-CG 3.45Å; I79-K83 PolarHBondContact O-N 2.83Å |
| 80 | D | 91.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 94.3 Ų | 94.3 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.1 | -34.7 | -177.7 | -65.5 | -32.6 | 0 | 0 | 0 | 112.1 | N76 L77 I78 K83 A84 | N76-D80 WeakPolarHBondContact O-CB 3.4Å; N76-D80 VanDerWaalsContact O-CG 3.32Å; N76-D80 PolarHBondContact O-N 3.29Å; L77-D80 PolarHBondContact O-N 3.35Å; I78-D80 VanDerWaalsContact C-N 3.34Å; D80-K83 WeakPolarHBondContact O-CB 3.39Å; D80-K83 PolarHBondContact O-N 3.1Å; D80-K83 WeakPolarHBondContact OD1-CE 3.49Å; D80-K83 IonicContact OD1-NZ 2.6Å; D80-K83 PolarHBondContact OD1-NZ 3.37Å; D80-A84 PolarHBondContact O-N 3.21Å |
| 81 | N | 92.9 | Very high | 91.9 | Very high | 90 Ų | 90 | 95.1 Ų | 95.1 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 166.5 | -73.2 | -5.4 | 0 | 0 | 0 | 111.4 | L77 K83 A84 D85 | L77-N81 WeakPolarHBondContact O-CB 3.47Å; L77-N81 VanDerWaalsContact O-CG 3.25Å; L77-N81 PolarHBondContact O-N 3.08Å; N81-K83 VanDerWaalsContact C-N 3.29Å; N81-K83 PolarHBondContact O-N 2.95Å; N81-A84 WeakPolarHBondContact O-CB 3.46Å; N81-A84 PolarHBondContact O-N 3.36Å; N81-A84 VanDerWaalsContact O-N 3.07Å; N81-D85 PolarHBondContact O-N 2.85Å |
| 82 | M | 92.5 | Very high | 92.1 | Very high | 100 Ų | 100 | 93.2 Ų | 93.2 | 49% | 0.493 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -34.6 | 176.1 | -74 | -178.3 | 68.5 | 0 | 0 | 112.5 | I78 I79 H86 | I78-M82 HydrophobicContact CG2-SD 4.3Å; I78-M82 WeakPolarHBondContact O-CB 3.43Å; I78-M82 VanDerWaalsContact O-CG 3.32Å; I78-M82 WeakPolarHBondContact O-CG 3.39Å; I78-M82 PolarHBondContact O-N 3.4Å; I79-M82 PolarHBondContact O-N 3.04Å; M82-H86 WeakPolarHBondContact O-CB 3.42Å; M82-H86 PolarHBondContact O-CD2 2.92Å; M82-H86 PolarHBondContact O-N 3.13Å |
| 83 | K | 90.9 | Very high | 92.2 | Very high | 116 Ų | 116 | 93.1 Ų | 93.1 | 50% | 0.504 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 170.6 | -71.9 | 170.2 | -166.6 | 159.1 | 0 | 111.3 | I79 D80 N81 H86 M87 | I79-K83 HydrophobicContact CG2-CD 4.48Å; I79-K83 WeakPolarHBondContact O-CG 3.45Å; I79-K83 PolarHBondContact O-N 2.83Å; D80-K83 WeakPolarHBondContact O-CB 3.39Å; D80-K83 PolarHBondContact O-N 3.1Å; D80-K83 WeakPolarHBondContact OD1-CE 3.49Å; D80-K83 IonicContact OD1-NZ 2.6Å; D80-K83 PolarHBondContact OD1-NZ 3.37Å; N81-K83 VanDerWaalsContact C-N 3.29Å; N81-K83 PolarHBondContact O-N 2.95Å; K83-H86 PolarHBondContact O-N 2.81Å; K83-M87 WeakPolarHBondContact O-CB 3.32Å; K83-M87 WeakPolarHBondContact O-CG 3.24Å; K83-M87 PolarHBondContact O-N 2.98Å |
| 84 | A | 93.3 | Very high | 92.2 | Very high | 58 Ų | 58 | 95.2 Ų | 95.2 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D80 N81 H86 M87 S88 | D80-A84 PolarHBondContact O-N 3.21Å; N81-A84 WeakPolarHBondContact O-CB 3.46Å; N81-A84 PolarHBondContact O-N 3.36Å; N81-A84 VanDerWaalsContact O-N 3.07Å; A84-H86 VanDerWaalsContact C-N 3.31Å; A84-H86 PolarHBondContact O-N 3.34Å; A84-M87 PolarHBondContact O-N 3.49Å; A84-S88 WeakPolarHBondContact O-CB 3.45Å; A84-S88 PolarHBondContact O-N 3.48Å |
| 85 | D | 92.8 | Very high | 92.4 | Very high | 112 Ų | 112 | 96.3 Ų | 96.3 | 60% | 0.599 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.7 | -42.2 | 173.9 | -70 | -25.9 | 0 | 0 | 0 | 111.5 | N81 K89 | N81-D85 PolarHBondContact O-N 2.85Å; D85-K89 VanDerWaalsContact O-CB 3.3Å; D85-K89 WeakPolarHBondContact O-CB 3.47Å; D85-K89 PolarHBondContact O-N 3.12Å |
| 86 | H | 93.3 | Very high | 92.4 | Very high | 121 Ų | 121 | 94.8 Ų | 94.8 | 56% | 0.56 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -71.1 | -38.3 | 177.2 | -72.1 | -35.7 | 0 | 0 | 0 | 113.4 | M82 K83 A84 K89 V90 | M82-H86 WeakPolarHBondContact O-CB 3.42Å; M82-H86 PolarHBondContact O-CD2 2.92Å; M82-H86 PolarHBondContact O-N 3.13Å; K83-H86 PolarHBondContact O-N 2.81Å; A84-H86 VanDerWaalsContact C-N 3.31Å; A84-H86 PolarHBondContact O-N 3.34Å; H86-K89 CarbonylContact O-C 3.59Å; H86-K89 PolarHBondContact O-N 3.35Å; H86-V90 WeakPolarHBondContact O-CG2 3.34Å; H86-V90 PolarHBondContact O-N 3.4Å |
| 87 | M | 91.7 | Very high | 92.4 | Very high | 108 Ų | 108 | 96 Ų | 96 | 53% | 0.532 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -50.7 | 175.2 | -77.1 | -58.7 | -53.9 | 0 | 0 | 111 | K83 A84 K89 V90 E91 | K83-M87 WeakPolarHBondContact O-CB 3.32Å; K83-M87 WeakPolarHBondContact O-CG 3.24Å; K83-M87 PolarHBondContact O-N 2.98Å; A84-M87 PolarHBondContact O-N 3.49Å; M87-K89 PolarHBondContact O-N 2.78Å; M87-V90 WeakPolarHBondContact O-CA 3.23Å; M87-V90 WeakPolarHBondContact O-CB 3.39Å; M87-V90 PolarHBondContact O-N 3.19Å; M87-E91 WeakPolarHBondContact O-CG 3.24Å; M87-E91 PolarHBondContact O-N 3.49Å |
| 88 | S | 92.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 95.9 Ų | 95.9 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.9 | -33.2 | 174.1 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | A84 E92 | A84-S88 WeakPolarHBondContact O-CB 3.45Å; A84-S88 PolarHBondContact O-N 3.48Å; S88-E92 WeakPolarHBondContact O-CB 3.28Å; S88-E92 PolarHBondContact O-N 3.12Å |
| 89 | K | 93.9 | Very high | 92.4 | Very high | 98 Ų | 98 | 96.2 Ų | 96.2 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.6 | -26.1 | 175.1 | -156.4 | 50.4 | 153 | -170.4 | 0 | 114.7 | D85 H86 M87 E92 L93 | D85-K89 VanDerWaalsContact O-CB 3.3Å; D85-K89 WeakPolarHBondContact O-CB 3.47Å; D85-K89 PolarHBondContact O-N 3.12Å; H86-K89 CarbonylContact O-C 3.59Å; H86-K89 PolarHBondContact O-N 3.35Å; M87-K89 PolarHBondContact O-N 2.78Å; K89-E92 HydrophobicContact CD-CB 4.09Å; K89-E92 HydrophobicContact CD-CG 4.47Å; K89-E92 WeakPolarHBondContact CD-OE1 3.18Å; K89-E92 IonicContact NZ-OE1 3.58Å; K89-E92 PolarHBondContact NZ-OE1 3.46Å; K89-E92 IonicContact NZ-OE2 3.77Å; K89-E92 PolarHBondContact NZ-OE2 3.02Å; K89-L93 WeakPolarHBondContact O-CD1 3.48Å; K89-L93 WeakPolarHBondContact O-CG 3.46Å; K89-L93 PolarHBondContact O-N 3.17Å |
| 90 | V | 92.5 | Very high | 92.5 | Very high | 66 Ų | 66 | 94.6 Ų | 94.6 | 40% | 0.4 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.3 | -49.6 | 169 | 168.3 | 0 | 0 | 0 | 0 | 109.6 | H86 M87 E92 L93 E94 | H86-V90 WeakPolarHBondContact O-CG2 3.34Å; H86-V90 PolarHBondContact O-N 3.4Å; M87-V90 WeakPolarHBondContact O-CA 3.23Å; M87-V90 WeakPolarHBondContact O-CB 3.39Å; M87-V90 PolarHBondContact O-N 3.19Å; V90-E92 VanDerWaalsContact C-N 3.35Å; V90-E92 PolarHBondContact O-N 3.44Å; V90-L93 CarbonylContact O-C 3.57Å; V90-L93 WeakPolarHBondContact O-CA 3.45Å; V90-L93 WeakPolarHBondContact O-CB 3.44Å; V90-L93 PolarHBondContact O-N 2.82Å; V90-E94 HydrophobicContact CG1-CG 4.21Å; V90-E94 WeakPolarHBondContact CG1-OE1 3.17Å; V90-E94 WeakPolarHBondContact O-CG 3.28Å; V90-E94 PolarHBondContact O-N 3.34Å |
| 91 | E | 92.9 | Very high | 92.5 | Very high | 104 Ų | 104 | 94.2 Ų | 94.2 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -53.9 | -49.6 | 175.8 | -67.7 | 160.4 | -171.4 | 0 | 0 | 111.1 | M87 L93 E94 E95 | M87-E91 WeakPolarHBondContact O-CG 3.24Å; M87-E91 PolarHBondContact O-N 3.49Å; E91-L93 PolarHBondContact O-N 3.36Å; E91-L93 VanDerWaalsContact O-N 3.14Å; E91-E94 PolarHBondContact O-N 3.48Å; E91-E95 PolarHBondContact O-N 3.03Å |
| 92 | E | 93.9 | Very high | 92.5 | Very high | 69 Ų | 69 | 95.2 Ų | 95.2 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -54.3 | -31.3 | 173.6 | -108 | -156.3 | -110.3 | 0 | 0 | 114.3 | S88 K89 V90 K96 | S88-E92 WeakPolarHBondContact O-CB 3.28Å; S88-E92 PolarHBondContact O-N 3.12Å; K89-E92 HydrophobicContact CD-CB 4.09Å; K89-E92 HydrophobicContact CD-CG 4.47Å; K89-E92 WeakPolarHBondContact CD-OE1 3.18Å; K89-E92 IonicContact NZ-OE1 3.58Å; K89-E92 PolarHBondContact NZ-OE1 3.46Å; K89-E92 IonicContact NZ-OE2 3.77Å; K89-E92 PolarHBondContact NZ-OE2 3.02Å; V90-E92 VanDerWaalsContact C-N 3.35Å; V90-E92 PolarHBondContact O-N 3.44Å; E92-K96 VanDerWaalsContact O-CD 3.28Å; E92-K96 WeakPolarHBondContact O-CD 3.33Å; E92-K96 WeakPolarHBondContact O-CG 3.43Å; E92-K96 PolarHBondContact O-NZ 2.85Å; E92-K96 IonicContact OE2-NZ 2.61Å; E92-K96 PolarHBondContact OE2-NZ 3.37Å |
| 93 | L | 91.6 | Very high | 92.5 | Very high | 106 Ų | 106 | 95.9 Ų | 95.9 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -89.7 | -32.4 | -178.2 | -74.2 | 170.5 | 0 | 0 | 0 | 111.4 | K89 V90 E91 K96 L97 | K89-L93 WeakPolarHBondContact O-CD1 3.48Å; K89-L93 WeakPolarHBondContact O-CG 3.46Å; K89-L93 PolarHBondContact O-N 3.17Å; V90-L93 CarbonylContact O-C 3.57Å; V90-L93 WeakPolarHBondContact O-CA 3.45Å; V90-L93 WeakPolarHBondContact O-CB 3.44Å; V90-L93 PolarHBondContact O-N 2.82Å; E91-L93 PolarHBondContact O-N 3.36Å; E91-L93 VanDerWaalsContact O-N 3.14Å; L93-K96 PolarHBondContact O-N 3.08Å; L93-L97 VanDerWaalsContact O-CB 3.26Å; L93-L97 WeakPolarHBondContact O-CB 3.23Å; L93-L97 PolarHBondContact O-N 2.74Å |
| 94 | E | 90.8 | Very high | 92.6 | Very high | 110 Ų | 110 | 97.9 Ų | 97.9 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 173.1 | -71.1 | -178.3 | 171.7 | 0 | 0 | 111.3 | V90 E91 K96 L97 N98 | V90-E94 HydrophobicContact CG1-CG 4.21Å; V90-E94 WeakPolarHBondContact CG1-OE1 3.17Å; V90-E94 WeakPolarHBondContact O-CG 3.28Å; V90-E94 PolarHBondContact O-N 3.34Å; E91-E94 PolarHBondContact O-N 3.48Å; E94-K96 PolarHBondContact O-N 3.28Å; E94-L97 PolarHBondContact O-N 2.93Å; E94-N98 WeakPolarHBondContact O-CB 3.24Å; E94-N98 VanDerWaalsContact O-CG 3.23Å; E94-N98 PolarHBondContact O-N 3.36Å; E94-N98 PolarHBondContact O-ND2 2.89Å; E94-N98 VanDerWaalsContact O-ND2 3.08Å |
| 95 | E | 93.5 | Very high | 92.6 | Very high | 134 Ų | 134 | 100.5 Ų | 100.5 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.4 | -50.5 | 170 | -73.9 | -170.7 | 149 | 0 | 0 | 111.6 | E91 L97 N98 D99 | E91-E95 PolarHBondContact O-N 3.03Å; E95-L97 VanDerWaalsContact C-N 3.29Å; E95-L97 PolarHBondContact O-N 3.07Å; E95-N98 PolarHBondContact O-N 3.23Å; E95-N98 VanDerWaalsContact O-N 3.16Å; E95-D99 PolarHBondContact O-N 2.66Å |
| 96 | K | 92.8 | Very high | 92.6 | Very high | 102 Ų | 102 | 97.5 Ų | 97.5 | 44% | 0.443 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -31.6 | 179.9 | -69.3 | 174.4 | -169.2 | 86.6 | 0 | 112.6 | E92 L93 E94 A100 | E92-K96 VanDerWaalsContact O-CD 3.28Å; E92-K96 WeakPolarHBondContact O-CD 3.33Å; E92-K96 WeakPolarHBondContact O-CG 3.43Å; E92-K96 PolarHBondContact O-NZ 2.85Å; E92-K96 IonicContact OE2-NZ 2.61Å; E92-K96 PolarHBondContact OE2-NZ 3.37Å; L93-K96 PolarHBondContact O-N 3.08Å; E94-K96 PolarHBondContact O-N 3.28Å; K96-A100 WeakPolarHBondContact O-CB 3.12Å; K96-A100 PolarHBondContact O-N 3.06Å |
| 97 | L | 91.2 | Very high | 92.5 | Very high | 102 Ų | 102 | 97.2 Ų | 97.2 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.9 | -44.2 | 172.7 | 178.2 | 60.2 | 0 | 0 | 0 | 111.1 | L93 E94 E95 A100 I101 | L93-L97 VanDerWaalsContact O-CB 3.26Å; L93-L97 WeakPolarHBondContact O-CB 3.23Å; L93-L97 PolarHBondContact O-N 2.74Å; E94-L97 PolarHBondContact O-N 2.93Å; E95-L97 VanDerWaalsContact C-N 3.29Å; E95-L97 PolarHBondContact O-N 3.07Å; L97-A100 PolarHBondContact O-N 2.9Å; L97-I101 HydrophobicContact CD1-CD1 4.04Å; L97-I101 HydrophobicContact CD1-CG1 4.36Å; L97-I101 HydrophobicContact CG-CD1 3.91Å; L97-I101 WeakPolarHBondContact O-CB 3.49Å; L97-I101 VanDerWaalsContact O-CG1 3.23Å; L97-I101 WeakPolarHBondContact O-CG1 3.37Å; L97-I101 PolarHBondContact O-N 2.82Å |
| 98 | N | 91.9 | Very high | 92.4 | Very high | 104 Ų | 104 | 95 Ų | 95 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 176.7 | -72.5 | -34.8 | 0 | 0 | 0 | 111.7 | E94 E95 I101 H102 | E94-N98 WeakPolarHBondContact O-CB 3.24Å; E94-N98 VanDerWaalsContact O-CG 3.23Å; E94-N98 PolarHBondContact O-N 3.36Å; E94-N98 PolarHBondContact O-ND2 2.89Å; E94-N98 VanDerWaalsContact O-ND2 3.08Å; E95-N98 PolarHBondContact O-N 3.23Å; E95-N98 VanDerWaalsContact O-N 3.16Å; N98-I101 PolarHBondContact O-N 3.3Å; N98-H102 WeakPolarHBondContact O-CB 3.49Å; N98-H102 PolarHBondContact O-N 2.84Å |
| 99 | D | 94.1 | Very high | 92.3 | Very high | 96 Ų | 96 | 97.9 Ų | 97.9 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 171.8 | -101.7 | -12.1 | 0 | 0 | 0 | 112 | E95 I101 H102 Q103 | E95-D99 PolarHBondContact O-N 2.66Å; D99-I101 VanDerWaalsContact C-N 3.32Å; D99-I101 PolarHBondContact O-N 2.83Å; D99-H102 PolarHBondContact O-N 3.42Å; D99-Q103 WeakPolarHBondContact O-CB 3.19Å; D99-Q103 VanDerWaalsContact O-CG 3.25Å; D99-Q103 WeakPolarHBondContact O-CG 3.07Å; D99-Q103 PolarHBondContact O-N 2.82Å |
| 100 | A | 91.8 | Very high | 92.2 | Very high | 53 Ų | 53 | 99 Ų | 99 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K96 L97 K104 | K96-A100 WeakPolarHBondContact O-CB 3.12Å; K96-A100 PolarHBondContact O-N 3.06Å; L97-A100 PolarHBondContact O-N 2.9Å; A100-K104 VanDerWaalsContact O-CB 3.22Å; A100-K104 WeakPolarHBondContact O-CB 3.45Å; A100-K104 PolarHBondContact O-N 3.48Å |
| 101 | I | 91.2 | Very high | 92.1 | Very high | 68 Ų | 68 | 100.3 Ų | 100.3 | 35% | 0.349 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 174 | -72 | 165.4 | 0 | 0 | 0 | 110.7 | L97 N98 D99 K104 Q105 | L97-I101 HydrophobicContact CD1-CD1 4.04Å; L97-I101 HydrophobicContact CD1-CG1 4.36Å; L97-I101 HydrophobicContact CG-CD1 3.91Å; L97-I101 WeakPolarHBondContact O-CB 3.49Å; L97-I101 VanDerWaalsContact O-CG1 3.23Å; L97-I101 WeakPolarHBondContact O-CG1 3.37Å; L97-I101 PolarHBondContact O-N 2.82Å; N98-I101 PolarHBondContact O-N 3.3Å; D99-I101 VanDerWaalsContact C-N 3.32Å; D99-I101 PolarHBondContact O-N 2.83Å; I101-K104 WeakPolarHBondContact O-CB 3.15Å; I101-K104 PolarHBondContact O-N 2.8Å; I101-Q105 WeakPolarHBondContact O-CG 3.21Å; I101-Q105 PolarHBondContact O-N 2.8Å |
| 102 | H | 93.7 | Very high | 92.1 | Very high | 110 Ų | 110 | 98.7 Ų | 98.7 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 177.9 | 179.7 | -107.9 | 0 | 0 | 0 | 111.5 | N98 D99 K104 Q105 V106 | N98-H102 WeakPolarHBondContact O-CB 3.49Å; N98-H102 PolarHBondContact O-N 2.84Å; D99-H102 PolarHBondContact O-N 3.42Å; H102-K104 VanDerWaalsContact C-N 3.34Å; H102-K104 PolarHBondContact O-N 2.89Å; H102-Q105 PolarHBondContact O-N 3.28Å; H102-V106 WeakPolarHBondContact O-CG2 3.35Å; H102-V106 PolarHBondContact O-N 2.75Å |
| 103 | Q | 92.3 | Very high | 92 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 174.2 | -71 | 176 | 37 | 0 | 0 | 111.8 | D99 V106 L107 | D99-Q103 WeakPolarHBondContact O-CB 3.19Å; D99-Q103 VanDerWaalsContact O-CG 3.25Å; D99-Q103 WeakPolarHBondContact O-CG 3.07Å; D99-Q103 PolarHBondContact O-N 2.82Å; Q103-V106 PolarHBondContact O-N 3.47Å; Q103-L107 WeakPolarHBondContact O-CB 3.34Å; Q103-L107 VanDerWaalsContact O-CG 3.3Å; Q103-L107 WeakPolarHBondContact O-CG 3.49Å; Q103-L107 PolarHBondContact O-N 2.79Å |
| 104 | K | 93.8 | Very high | 91.9 | Very high | 158 Ų | 158 | 99.6 Ų | 99.6 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.5 | -44.2 | 174.2 | 177.7 | -172.9 | 175.1 | -173.1 | 0 | 112.1 | A100 I101 H102 L107 S108 | A100-K104 VanDerWaalsContact O-CB 3.22Å; A100-K104 WeakPolarHBondContact O-CB 3.45Å; A100-K104 PolarHBondContact O-N 3.48Å; I101-K104 WeakPolarHBondContact O-CB 3.15Å; I101-K104 PolarHBondContact O-N 2.8Å; H102-K104 VanDerWaalsContact C-N 3.34Å; H102-K104 PolarHBondContact O-N 2.89Å; K104-L107 PolarHBondContact O-N 2.8Å; K104-S108 WeakPolarHBondContact O-CB 3.23Å; K104-S108 PolarHBondContact O-N 2.78Å |
| 105 | Q | 91.8 | Very high | 91.8 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 177 | -72.1 | 175.3 | 11 | 0 | 0 | 111.4 | I101 H102 L107 S108 L109 | I101-Q105 WeakPolarHBondContact O-CG 3.21Å; I101-Q105 PolarHBondContact O-N 2.8Å; H102-Q105 PolarHBondContact O-N 3.28Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 2.79Å; Q105-S108 WeakPolarHBondContact O-CB 3.38Å; Q105-S108 PolarHBondContact O-N 3.29Å; Q105-L109 WeakPolarHBondContact O-CG 3.47Å; Q105-L109 PolarHBondContact O-N 2.68Å |
| 106 | V | 93.8 | Very high | 91.8 | Very high | 49 Ų | 49 | 98.4 Ų | 98.4 | 30% | 0.297 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 177 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | H102 Q103 K110 | H102-V106 WeakPolarHBondContact O-CG2 3.35Å; H102-V106 PolarHBondContact O-N 2.75Å; Q103-V106 PolarHBondContact O-N 3.47Å; V106-K110 HydrophobicContact CG1-CD 4.07Å; V106-K110 WeakPolarHBondContact O-CB 3.41Å; V106-K110 VanDerWaalsContact O-CG 3.26Å; V106-K110 WeakPolarHBondContact O-CG 3.25Å; V106-K110 PolarHBondContact O-N 2.79Å |
| 107 | L | 90.5 | Very high | 91.7 | Very high | 115 Ų | 115 | 98 Ų | 98 | 60% | 0.602 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.7 | -39.2 | 175.3 | -72 | 172.3 | 0 | 0 | 0 | 112.3 | Q103 K104 Q105 K110 L111 | Q103-L107 WeakPolarHBondContact O-CB 3.34Å; Q103-L107 VanDerWaalsContact O-CG 3.3Å; Q103-L107 WeakPolarHBondContact O-CG 3.49Å; Q103-L107 PolarHBondContact O-N 2.79Å; K104-L107 PolarHBondContact O-N 2.8Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 2.79Å; L107-K110 PolarHBondContact O-N 3.07Å; L107-L111 WeakPolarHBondContact O-CB 3.46Å; L107-L111 PolarHBondContact O-N 3.18Å |
| 108 | S | 89.6 | Confident | 91.6 | Very high | 61 Ų | 61 | 95.7 Ų | 95.7 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 174 | -162.6 | 0 | 0 | 0 | 0 | 111.3 | K104 Q105 K110 L111 D112 | K104-S108 WeakPolarHBondContact O-CB 3.23Å; K104-S108 PolarHBondContact O-N 2.78Å; Q105-S108 WeakPolarHBondContact O-CB 3.38Å; Q105-S108 PolarHBondContact O-N 3.29Å; S108-K110 VanDerWaalsContact C-N 3.32Å; S108-K110 PolarHBondContact O-N 3.13Å; S108-L111 PolarHBondContact O-N 3.33Å; S108-L111 VanDerWaalsContact O-N 3.15Å; S108-D112 WeakPolarHBondContact O-CB 3.47Å; S108-D112 PolarHBondContact O-N 2.79Å |
| 109 | L | 91.9 | Very high | 91.5 | Very high | 122 Ų | 122 | 95.9 Ų | 95.9 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -37.5 | 178.7 | -69.5 | 171.9 | 0 | 0 | 0 | 112.4 | Q105 S113 | Q105-L109 WeakPolarHBondContact O-CG 3.47Å; Q105-L109 PolarHBondContact O-N 2.68Å; L109-S113 VanDerWaalsContact O-CB 3.27Å; L109-S113 WeakPolarHBondContact O-CB 3.16Å; L109-S113 PolarHBondContact O-N 2.77Å |
| 110 | K | 91.9 | Very high | 91.4 | Very high | 121 Ų | 121 | 95.6 Ų | 95.6 | 53% | 0.526 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 172.9 | -76.6 | 170.9 | 180 | 175.5 | 0 | 111.7 | V106 L107 S108 S113 Q114 | V106-K110 HydrophobicContact CG1-CD 4.07Å; V106-K110 WeakPolarHBondContact O-CB 3.41Å; V106-K110 VanDerWaalsContact O-CG 3.26Å; V106-K110 WeakPolarHBondContact O-CG 3.25Å; V106-K110 PolarHBondContact O-N 2.79Å; L107-K110 PolarHBondContact O-N 3.07Å; S108-K110 VanDerWaalsContact C-N 3.32Å; S108-K110 PolarHBondContact O-N 3.13Å; K110-S113 PolarHBondContact O-N 2.77Å; K110-Q114 WeakPolarHBondContact O-CG 3.27Å; K110-Q114 PolarHBondContact O-N 2.69Å |
| 111 | L | 90.4 | Very high | 91.3 | Very high | 95 Ų | 95 | 98.6 Ų | 98.6 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 177.4 | -176.8 | 63.6 | 0 | 0 | 0 | 111.6 | L107 S108 S113 Q114 L115 | L107-L111 WeakPolarHBondContact O-CB 3.46Å; L107-L111 PolarHBondContact O-N 3.18Å; S108-L111 PolarHBondContact O-N 3.33Å; S108-L111 VanDerWaalsContact O-N 3.15Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.28Å; L111-Q114 PolarHBondContact O-N 3.26Å; L111-L115 HydrophobicContact CD1-CD1 4.36Å; L111-L115 HydrophobicContact CD1-CG 4.36Å; L111-L115 HydrophobicContact CG-CD1 4.01Å; L111-L115 HydrophobicContact CG-CG 4.43Å; L111-L115 WeakPolarHBondContact O-CB 3.28Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.5Å; L111-L115 PolarHBondContact O-N 2.67Å |
| 112 | D | 90.9 | Very high | 91.2 | Very high | 70 Ų | 70 | 99.2 Ų | 99.2 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 176.6 | -75.6 | -41.7 | 0 | 0 | 0 | 112.1 | S108 K116 | S108-D112 WeakPolarHBondContact O-CB 3.47Å; S108-D112 PolarHBondContact O-N 2.79Å; D112-K116 WeakPolarHBondContact O-CB 3.32Å; D112-K116 WeakPolarHBondContact O-CD 3.29Å; D112-K116 WeakPolarHBondContact O-CG 3.35Å; D112-K116 PolarHBondContact O-N 3.29Å |
| 113 | S | 92.1 | Very high | 91.1 | Very high | 63 Ų | 63 | 100 Ų | 100 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 173.9 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | L109 K110 L111 L115 K116 L117 | L109-S113 VanDerWaalsContact O-CB 3.27Å; L109-S113 WeakPolarHBondContact O-CB 3.16Å; L109-S113 PolarHBondContact O-N 2.77Å; K110-S113 PolarHBondContact O-N 2.77Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.28Å; S113-L115 PolarHBondContact O-N 3.37Å; S113-K116 PolarHBondContact O-N 3.36Å; S113-L117 WeakPolarHBondContact O-CG 3.49Å; S113-L117 PolarHBondContact O-N 2.71Å |
| 114 | Q | 91.1 | Very high | 91 | Very high | 130 Ų | 130 | 100.3 Ų | 100.3 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.4 | -41.4 | 175.8 | -73.4 | 176.2 | -1.6 | 0 | 0 | 112.3 | K110 L111 L117 A118 | K110-Q114 WeakPolarHBondContact O-CG 3.27Å; K110-Q114 PolarHBondContact O-N 2.69Å; L111-Q114 PolarHBondContact O-N 3.26Å; Q114-L117 PolarHBondContact O-N 3.36Å; Q114-A118 VanDerWaalsContact O-CB 3.3Å; Q114-A118 WeakPolarHBondContact O-CB 3.47Å; Q114-A118 PolarHBondContact O-N 3.22Å |
| 115 | L | 88.7 | Confident | 90.8 | Very high | 86 Ų | 86 | 97 Ų | 97 | 45% | 0.45 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 176.2 | -72.7 | 172.9 | 0 | 0 | 0 | 112.2 | L111 S113 Q119 | L111-L115 HydrophobicContact CD1-CD1 4.36Å; L111-L115 HydrophobicContact CD1-CG 4.36Å; L111-L115 HydrophobicContact CG-CD1 4.01Å; L111-L115 HydrophobicContact CG-CG 4.43Å; L111-L115 WeakPolarHBondContact O-CB 3.28Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.5Å; L111-L115 PolarHBondContact O-N 2.67Å; S113-L115 PolarHBondContact O-N 3.37Å; L115-Q119 WeakPolarHBondContact O-CB 3.36Å; L115-Q119 WeakPolarHBondContact O-CG 3.48Å; L115-Q119 PolarHBondContact O-N 2.79Å |
| 116 | K | 91.9 | Very high | 90.6 | Very high | 133 Ų | 133 | 96.3 Ų | 96.3 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.2 | -49.1 | 173.7 | -75.7 | 164.7 | -174.9 | 170.3 | 0 | 111.3 | D112 S113 Q119 E120 | D112-K116 WeakPolarHBondContact O-CB 3.32Å; D112-K116 WeakPolarHBondContact O-CD 3.29Å; D112-K116 WeakPolarHBondContact O-CG 3.35Å; D112-K116 PolarHBondContact O-N 3.29Å; S113-K116 PolarHBondContact O-N 3.36Å; K116-Q119 PolarHBondContact O-N 2.77Å; K116-E120 PolarHBondContact O-N 2.76Å |
| 117 | L | 91.1 | Very high | 90.4 | Very high | 94 Ų | 94 | 96.2 Ų | 96.2 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59 | -50 | 177.4 | -70.8 | 169.8 | 0 | 0 | 0 | 111.6 | S113 Q114 Q119 E120 E121 | S113-L117 WeakPolarHBondContact O-CG 3.49Å; S113-L117 PolarHBondContact O-N 2.71Å; Q114-L117 PolarHBondContact O-N 3.36Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; L117-Q119 PolarHBondContact O-N 2.8Å; L117-E120 PolarHBondContact O-N 3.34Å; L117-E120 VanDerWaalsContact O-N 3.07Å; L117-E121 WeakPolarHBondContact O-CG 3.45Å; L117-E121 PolarHBondContact O-N 3.29Å |
| 118 | A | 88.4 | Confident | 90.5 | Very high | 53 Ų | 53 | 95.2 Ų | 95.2 | 44% | 0.438 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -36 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q114 N122 | Q114-A118 VanDerWaalsContact O-CB 3.3Å; Q114-A118 WeakPolarHBondContact O-CB 3.47Å; Q114-A118 PolarHBondContact O-N 3.22Å; A118-N122 WeakPolarHBondContact O-CB 3.2Å; A118-N122 PolarHBondContact O-N 2.69Å |
| 119 | Q | 89.9 | Confident | 90.5 | Very high | 109 Ų | 109 | 99.3 Ų | 99.3 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 172.6 | -77.5 | 177.6 | 40 | 0 | 0 | 112.5 | L115 K116 L117 K123 | L115-Q119 WeakPolarHBondContact O-CB 3.36Å; L115-Q119 WeakPolarHBondContact O-CG 3.48Å; L115-Q119 PolarHBondContact O-N 2.79Å; K116-Q119 PolarHBondContact O-N 2.77Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; L117-Q119 PolarHBondContact O-N 2.8Å; Q119-K123 WeakPolarHBondContact O-CB 3.46Å; Q119-K123 WeakPolarHBondContact O-CD 3.46Å; Q119-K123 WeakPolarHBondContact O-CG 3.44Å; Q119-K123 PolarHBondContact O-N 3.4Å |
| 120 | E | 91.9 | Very high | 90.5 | Very high | 90 Ų | 90 | 99.6 Ų | 99.6 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.4 | -42.3 | 176.3 | -76.8 | -175.1 | -156.8 | 0 | 0 | 112.8 | K116 L117 N122 K123 K124 | K116-E120 PolarHBondContact O-N 2.76Å; L117-E120 PolarHBondContact O-N 3.34Å; L117-E120 VanDerWaalsContact O-N 3.07Å; E120-N122 VanDerWaalsContact C-N 3.35Å; E120-K123 PolarHBondContact O-N 2.79Å; E120-K124 WeakPolarHBondContact O-CB 3.45Å; E120-K124 WeakPolarHBondContact O-CD 3.32Å; E120-K124 VanDerWaalsContact O-CG 3.24Å; E120-K124 WeakPolarHBondContact O-CG 3.42Å; E120-K124 PolarHBondContact O-N 3.44Å; E120-K124 IonicContact OE2-NZ 3.58Å |
| 121 | E | 91.1 | Very high | 90.5 | Very high | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 173 | -72.2 | -178.5 | 170.6 | 0 | 0 | 111.3 | L117 K123 K124 Q125 | L117-E121 WeakPolarHBondContact O-CG 3.45Å; L117-E121 PolarHBondContact O-N 3.29Å; E121-K123 PolarHBondContact O-N 3.47Å; E121-K124 PolarHBondContact O-N 3.04Å; E121-Q125 WeakPolarHBondContact O-CB 3.47Å; E121-Q125 WeakPolarHBondContact O-CG 3.32Å; E121-Q125 PolarHBondContact O-N 3.34Å |
| 122 | N | 87.8 | Confident | 90.6 | Very high | 81 Ų | 81 | 99.8 Ų | 99.8 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.6 | -160.7 | -33.8 | 0 | 0 | 0 | 111.4 | A118 E120 Q125 Q126 | A118-N122 WeakPolarHBondContact O-CB 3.2Å; A118-N122 PolarHBondContact O-N 2.69Å; E120-N122 VanDerWaalsContact C-N 3.35Å; N122-Q125 PolarHBondContact O-N 2.79Å; N122-Q126 WeakPolarHBondContact O-CB 3.37Å; N122-Q126 VanDerWaalsContact O-CG 3.26Å; N122-Q126 WeakPolarHBondContact O-CG 3.37Å; N122-Q126 PolarHBondContact O-N 3.29Å; N122-Q126 PolarHBondContact OD1-NE2 2.89Å |
| 123 | K | 91.8 | Very high | 90.5 | Very high | 126 Ų | 126 | 101.5 Ų | 101.5 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 170.6 | -73 | 161.2 | -168.6 | 163.8 | 0 | 112 | Q119 E120 E121 Q126 A127 | Q119-K123 WeakPolarHBondContact O-CB 3.46Å; Q119-K123 WeakPolarHBondContact O-CD 3.46Å; Q119-K123 WeakPolarHBondContact O-CG 3.44Å; Q119-K123 PolarHBondContact O-N 3.4Å; E120-K123 PolarHBondContact O-N 2.79Å; E121-K123 PolarHBondContact O-N 3.47Å; K123-Q126 PolarHBondContact O-N 2.99Å; K123-A127 WeakPolarHBondContact O-CB 3.23Å; K123-A127 PolarHBondContact O-N 3.4Å |
| 124 | K | 91.8 | Very high | 90.5 | Very high | 120 Ų | 120 | 104.4 Ų | 104.4 | 52% | 0.522 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 177.3 | -72.2 | 160.9 | -175 | 162.4 | 0 | 111.1 | E120 E121 Q126 A127 L128 | E120-K124 WeakPolarHBondContact O-CB 3.45Å; E120-K124 WeakPolarHBondContact O-CD 3.32Å; E120-K124 VanDerWaalsContact O-CG 3.24Å; E120-K124 WeakPolarHBondContact O-CG 3.42Å; E120-K124 PolarHBondContact O-N 3.44Å; E120-K124 IonicContact OE2-NZ 3.58Å; E121-K124 PolarHBondContact O-N 3.04Å; K124-Q126 PolarHBondContact O-N 2.79Å; K124-A127 PolarHBondContact O-N 3.06Å; K124-L128 WeakPolarHBondContact O-CG 3.45Å; K124-L128 PolarHBondContact O-N 2.99Å |
| 125 | Q | 88.4 | Confident | 90.5 | Very high | 89 Ų | 89 | 102.5 Ų | 102.5 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 174.6 | -70.6 | -177.3 | 23.6 | 0 | 0 | 112.6 | E121 N122 R129 | E121-Q125 WeakPolarHBondContact O-CB 3.47Å; E121-Q125 WeakPolarHBondContact O-CG 3.32Å; E121-Q125 PolarHBondContact O-N 3.34Å; N122-Q125 PolarHBondContact O-N 2.79Å; Q125-R129 WeakPolarHBondContact O-CB 3.24Å; Q125-R129 VanDerWaalsContact O-CG 3.31Å; Q125-R129 WeakPolarHBondContact O-CG 3.33Å; Q125-R129 PolarHBondContact O-N 3.05Å; Q125-R129 VanDerWaalsContact OE1-NH2 3.14Å |
| 126 | Q | 88.3 | Confident | 90.7 | Very high | 99 Ų | 99 | 103.2 Ų | 103.2 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -33.6 | 174.8 | -75.6 | 179.2 | 38.6 | 0 | 0 | 112.8 | N122 K123 K124 K130 | N122-Q126 WeakPolarHBondContact O-CB 3.37Å; N122-Q126 VanDerWaalsContact O-CG 3.26Å; N122-Q126 WeakPolarHBondContact O-CG 3.37Å; N122-Q126 PolarHBondContact O-N 3.29Å; N122-Q126 PolarHBondContact OD1-NE2 2.89Å; K123-Q126 PolarHBondContact O-N 2.99Å; K124-Q126 PolarHBondContact O-N 2.79Å; Q126-K130 WeakPolarHBondContact O-CB 3.45Å; Q126-K130 VanDerWaalsContact O-CG 3.25Å; Q126-K130 WeakPolarHBondContact O-CG 3.28Å; Q126-K130 PolarHBondContact O-N 2.83Å |
| 127 | A | 90.1 | Very high | 90.7 | Very high | 47 Ų | 47 | 100.2 Ų | 100.2 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.8 | -46.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K123 K124 K130 Q131 | K123-A127 WeakPolarHBondContact O-CB 3.23Å; K123-A127 PolarHBondContact O-N 3.4Å; K124-A127 PolarHBondContact O-N 3.06Å; A127-K130 WeakPolarHBondContact O-CB 3.29Å; A127-K130 PolarHBondContact O-N 2.88Å; A127-Q131 WeakPolarHBondContact O-CG 3.41Å; A127-Q131 PolarHBondContact O-N 2.87Å |
| 128 | L | 92.1 | Very high | 90.7 | Very high | 95 Ų | 95 | 100.7 Ų | 100.7 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -51.8 | 175.2 | -71.4 | 167.9 | 0 | 0 | 0 | 111.4 | K124 K130 Q131 E132 | K124-L128 WeakPolarHBondContact O-CG 3.45Å; K124-L128 PolarHBondContact O-N 2.99Å; L128-K130 PolarHBondContact O-N 3.23Å; L128-K130 VanDerWaalsContact O-N 3.14Å; L128-Q131 PolarHBondContact O-N 3.39Å; L128-E132 WeakPolarHBondContact O-CB 3.43Å; L128-E132 WeakPolarHBondContact O-CG 3.43Å; L128-E132 PolarHBondContact O-N 3.04Å |
| 129 | R | 89 | Confident | 90.8 | Very high | 147 Ų | 147 | 104.7 Ų | 104.7 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.9 | -27.3 | 177.4 | -71.6 | 178.1 | -167.7 | 151.5 | 13.1 | 113.9 | Q125 E132 M133 | Q125-R129 WeakPolarHBondContact O-CB 3.24Å; Q125-R129 VanDerWaalsContact O-CG 3.31Å; Q125-R129 WeakPolarHBondContact O-CG 3.33Å; Q125-R129 PolarHBondContact O-N 3.05Å; Q125-R129 VanDerWaalsContact OE1-NH2 3.14Å; R129-E132 WeakPolarHBondContact CA-OE2 3.15Å; R129-M133 VanDerWaalsContact O-CB 3.23Å; R129-M133 WeakPolarHBondContact O-CB 3.47Å; R129-M133 PolarHBondContact O-N 3.01Å |
| 130 | K | 91.9 | Very high | 90.8 | Very high | 127 Ų | 127 | 103.9 Ų | 103.9 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.3 | -45.9 | 172.1 | -78.2 | 172.3 | 179.5 | -178.3 | 0 | 111.7 | Q126 A127 L128 E132 M133 E134 | Q126-K130 WeakPolarHBondContact O-CB 3.45Å; Q126-K130 VanDerWaalsContact O-CG 3.25Å; Q126-K130 WeakPolarHBondContact O-CG 3.28Å; Q126-K130 PolarHBondContact O-N 2.83Å; A127-K130 WeakPolarHBondContact O-CB 3.29Å; A127-K130 PolarHBondContact O-N 2.88Å; L128-K130 PolarHBondContact O-N 3.23Å; L128-K130 VanDerWaalsContact O-N 3.14Å; K130-E132 VanDerWaalsContact C-N 3.34Å; K130-E132 PolarHBondContact O-N 2.77Å; K130-M133 PolarHBondContact O-N 2.78Å; K130-E134 VanDerWaalsContact O-CB 3.31Å; K130-E134 WeakPolarHBondContact O-CB 3.37Å; K130-E134 VanDerWaalsContact O-CG 3.22Å; K130-E134 WeakPolarHBondContact O-CG 3.42Å; K130-E134 PolarHBondContact O-N 2.75Å |
| 131 | Q | 92.1 | Very high | 90.6 | Very high | 115 Ų | 115 | 107.1 Ų | 107.1 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 176.2 | -69.2 | 173.6 | -26.7 | 0 | 0 | 111.8 | A127 L128 E134 T135 | A127-Q131 WeakPolarHBondContact O-CG 3.41Å; A127-Q131 PolarHBondContact O-N 2.87Å; L128-Q131 PolarHBondContact O-N 3.39Å; Q131-E134 PolarHBondContact O-N 2.7Å; Q131-T135 WeakPolarHBondContact O-CB 3.43Å; Q131-T135 WeakPolarHBondContact O-CG2 3.33Å; Q131-T135 PolarHBondContact O-N 3.16Å; Q131-T135 PolarHBondContact O-OG1 2.76Å |
| 132 | E | 91.8 | Very high | 90.7 | Very high | 105 Ų | 105 | 105.6 Ų | 105.6 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -50.1 | 171 | -70.2 | 166.2 | 172.2 | 0 | 0 | 110.7 | L128 R129 K130 E134 T135 I136 | L128-E132 WeakPolarHBondContact O-CB 3.43Å; L128-E132 WeakPolarHBondContact O-CG 3.43Å; L128-E132 PolarHBondContact O-N 3.04Å; R129-E132 WeakPolarHBondContact CA-OE2 3.15Å; K130-E132 VanDerWaalsContact C-N 3.34Å; K130-E132 PolarHBondContact O-N 2.77Å; E132-E134 PolarHBondContact O-N 3.28Å; E132-T135 PolarHBondContact O-N 3.34Å; E132-T135 PolarHBondContact O-OG1 2.79Å; E132-I136 WeakPolarHBondContact O-CB 3.41Å; E132-I136 WeakPolarHBondContact O-CD1 3.43Å; E132-I136 WeakPolarHBondContact O-CG1 3.3Å; E132-I136 PolarHBondContact O-N 3.17Å |
| 133 | M | 89.6 | Confident | 90.8 | Very high | 107 Ų | 107 | 106 Ų | 106 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 177.2 | -173.4 | 63.7 | 66.9 | 0 | 0 | 112.5 | R129 K130 I136 L137 | R129-M133 VanDerWaalsContact O-CB 3.23Å; R129-M133 WeakPolarHBondContact O-CB 3.47Å; R129-M133 PolarHBondContact O-N 3.01Å; K130-M133 PolarHBondContact O-N 2.78Å; M133-I136 PolarHBondContact O-N 2.69Å; M133-L137 HydrophobicContact CG-CD1 3.92Å; M133-L137 HydrophobicContact CG-CG 4.38Å; M133-L137 VanDerWaalsContact O-CB 3.32Å; M133-L137 WeakPolarHBondContact O-CB 3.24Å; M133-L137 WeakPolarHBondContact O-CG 3.4Å; M133-L137 PolarHBondContact O-N 3.01Å; M133-L137 HydrophobicContact SD-CD1 4.39Å; M133-L137 HydrophobicContact SD-CG 4.36Å |
| 134 | E | 91.3 | Very high | 90.8 | Very high | 123 Ų | 123 | 104.8 Ų | 104.8 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.3 | -40.6 | 178.7 | -75.4 | 163.3 | -160.5 | 0 | 0 | 111.8 | K130 Q131 E132 L138 | K130-E134 VanDerWaalsContact O-CB 3.31Å; K130-E134 WeakPolarHBondContact O-CB 3.37Å; K130-E134 VanDerWaalsContact O-CG 3.22Å; K130-E134 WeakPolarHBondContact O-CG 3.42Å; K130-E134 PolarHBondContact O-N 2.75Å; Q131-E134 PolarHBondContact O-N 2.7Å; E132-E134 PolarHBondContact O-N 3.28Å; E134-L138 VanDerWaalsContact O-CB 3.28Å; E134-L138 WeakPolarHBondContact O-CB 3.27Å; E134-L138 PolarHBondContact O-N 2.91Å |
| 135 | T | 92.6 | Very high | 90.8 | Very high | 91 Ų | 91 | 104.5 Ų | 104.5 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.8 | -38.7 | 174.5 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | Q131 E132 L138 R139 | Q131-T135 WeakPolarHBondContact O-CB 3.43Å; Q131-T135 WeakPolarHBondContact O-CG2 3.33Å; Q131-T135 PolarHBondContact O-N 3.16Å; Q131-T135 PolarHBondContact O-OG1 2.76Å; E132-T135 PolarHBondContact O-N 3.34Å; E132-T135 PolarHBondContact O-OG1 2.79Å; T135-L138 PolarHBondContact O-N 3.16Å; T135-R139 WeakPolarHBondContact O-CB 3.28Å; T135-R139 PolarHBondContact O-N 3.4Å |
| 136 | I | 91.7 | Very high | 90.9 | Very high | 100 Ų | 100 | 103.5 Ų | 103.5 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 172.7 | -70 | 165.2 | 0 | 0 | 0 | 110.9 | E132 M133 L138 R139 Q140 | E132-I136 WeakPolarHBondContact O-CB 3.41Å; E132-I136 WeakPolarHBondContact O-CD1 3.43Å; E132-I136 WeakPolarHBondContact O-CG1 3.3Å; E132-I136 PolarHBondContact O-N 3.17Å; M133-I136 PolarHBondContact O-N 2.69Å; I136-L138 PolarHBondContact O-N 2.7Å; I136-R139 PolarHBondContact O-N 2.99Å; I136-Q140 WeakPolarHBondContact O-CB 3.32Å; I136-Q140 PolarHBondContact O-N 3.23Å |
| 137 | L | 91.1 | Very high | 91 | Very high | 70 Ų | 70 | 103.3 Ų | 103.3 | 37% | 0.366 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 178.1 | -74.5 | 169.6 | 0 | 0 | 0 | 112.3 | M133 Q140 R141 | M133-L137 HydrophobicContact CG-CD1 3.92Å; M133-L137 HydrophobicContact CG-CG 4.38Å; M133-L137 VanDerWaalsContact O-CB 3.32Å; M133-L137 WeakPolarHBondContact O-CB 3.24Å; M133-L137 WeakPolarHBondContact O-CG 3.4Å; M133-L137 PolarHBondContact O-N 3.01Å; M133-L137 HydrophobicContact SD-CD1 4.39Å; M133-L137 HydrophobicContact SD-CG 4.36Å; L137-Q140 PolarHBondContact O-N 3.39Å; L137-R141 WeakPolarHBondContact O-CG 3.33Å; L137-R141 PolarHBondContact O-N 2.82Å |
| 138 | L | 91.8 | Very high | 91 | Very high | 104 Ų | 104 | 109 Ų | 109 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 175.4 | -172.6 | 145.8 | 0 | 0 | 0 | 111.1 | E134 T135 I136 Q142 | E134-L138 VanDerWaalsContact O-CB 3.28Å; E134-L138 WeakPolarHBondContact O-CB 3.27Å; E134-L138 PolarHBondContact O-N 2.91Å; T135-L138 PolarHBondContact O-N 3.16Å; I136-L138 PolarHBondContact O-N 2.7Å; L138-Q142 WeakPolarHBondContact O-CG 3.49Å; L138-Q142 PolarHBondContact O-N 3.49Å |
| 139 | R | 91.6 | Very high | 90.9 | Very high | 137 Ų | 137 | 109.1 Ų | 109.1 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 173.9 | -175.8 | 54.5 | 175.4 | 174.4 | 0.5 | 112.5 | T135 I136 Q142 L143 | T135-R139 WeakPolarHBondContact O-CB 3.28Å; T135-R139 PolarHBondContact O-N 3.4Å; I136-R139 PolarHBondContact O-N 2.99Å; R139-Q142 PolarHBondContact O-N 2.82Å; R139-L143 HydrophobicContact CG-CD1 4.22Å; R139-L143 WeakPolarHBondContact O-CG 3.41Å; R139-L143 PolarHBondContact O-N 2.79Å |
| 140 | Q | 88.6 | Confident | 90.8 | Very high | 92 Ų | 92 | 107.7 Ų | 107.7 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 175.4 | 178.7 | 175.1 | -12.3 | 0 | 0 | 110.7 | I136 L137 Q142 L143 E144 | I136-Q140 WeakPolarHBondContact O-CB 3.32Å; I136-Q140 PolarHBondContact O-N 3.23Å; L137-Q140 PolarHBondContact O-N 3.39Å; Q140-Q142 PolarHBondContact O-N 2.88Å; Q140-L143 CarbonylContact O-C 3.58Å; Q140-L143 WeakPolarHBondContact O-CA 3.35Å; Q140-L143 PolarHBondContact O-N 2.7Å; Q140-E144 HydrophobicContact CG-CG 4.28Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.23Å; Q140-E144 PolarHBondContact NE2-OE1 3.36Å; Q140-E144 WeakPolarHBondContact O-CG 3.44Å; Q140-E144 PolarHBondContact O-N 3.36Å |
| 141 | R | 89.3 | Confident | 90.5 | Very high | 158 Ų | 158 | 105.5 Ų | 105.5 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.8 | -44.8 | 176.3 | -71.9 | 174.9 | -172.8 | 174 | 3.7 | 112.6 | L137 L143 E144 E145 | L137-R141 WeakPolarHBondContact O-CG 3.33Å; L137-R141 PolarHBondContact O-N 2.82Å; R141-L143 VanDerWaalsContact C-N 3.28Å; R141-L143 PolarHBondContact O-N 3.21Å; R141-E144 PolarHBondContact O-N 2.99Å; R141-E145 WeakPolarHBondContact O-CB 3.47Å; R141-E145 VanDerWaalsContact O-CG 3.3Å; R141-E145 WeakPolarHBondContact O-CG 3.41Å; R141-E145 PolarHBondContact O-N 2.81Å |
| 142 | Q | 92.6 | Very high | 90.2 | Very high | 84 Ų | 84 | 104 Ų | 104 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.3 | -39.6 | 174.3 | -70.8 | 174.3 | -5.6 | 0 | 0 | 112.4 | L138 R139 Q140 T146 | L138-Q142 WeakPolarHBondContact O-CG 3.49Å; L138-Q142 PolarHBondContact O-N 3.49Å; R139-Q142 PolarHBondContact O-N 2.82Å; Q140-Q142 PolarHBondContact O-N 2.88Å; Q142-T146 WeakPolarHBondContact O-CB 3.41Å; Q142-T146 WeakPolarHBondContact O-CG2 3.48Å; Q142-T146 PolarHBondContact O-N 2.78Å; Q142-T146 PolarHBondContact O-OG1 2.78Å |
| 143 | L | 89.4 | Confident | 89.9 | Confident | 89 Ų | 89 | 104.8 Ų | 104.8 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.8 | -35.9 | 178.2 | -69.3 | 170.8 | 0 | 0 | 0 | 112 | R139 Q140 R141 T146 N147 | R139-L143 HydrophobicContact CG-CD1 4.22Å; R139-L143 WeakPolarHBondContact O-CG 3.41Å; R139-L143 PolarHBondContact O-N 2.79Å; Q140-L143 CarbonylContact O-C 3.58Å; Q140-L143 WeakPolarHBondContact O-CA 3.35Å; Q140-L143 PolarHBondContact O-N 2.7Å; R141-L143 VanDerWaalsContact C-N 3.28Å; R141-L143 PolarHBondContact O-N 3.21Å; L143-T146 WeakPolarHBondContact CA-OG1 3.5Å; L143-T146 PolarHBondContact O-OG1 3.37Å; L143-N147 WeakPolarHBondContact O-CB 3.41Å; L143-N147 PolarHBondContact O-N 3.12Å |
| 144 | E | 91.4 | Very high | 89.4 | Confident | 101 Ų | 101 | 101.7 Ų | 101.7 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.4 | -43.6 | 174.7 | -72.5 | 169.8 | 172.1 | 0 | 0 | 111.7 | Q140 R141 R148 | Q140-E144 HydrophobicContact CG-CG 4.28Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.23Å; Q140-E144 PolarHBondContact NE2-OE1 3.36Å; Q140-E144 WeakPolarHBondContact O-CG 3.44Å; Q140-E144 PolarHBondContact O-N 3.36Å; R141-E144 PolarHBondContact O-N 2.99Å; E144-R148 WeakPolarHBondContact O-CB 3.46Å; E144-R148 PolarHBondContact O-N 3.05Å |
| 145 | E | 91.5 | Very high | 89 | Confident | 115 Ų | 115 | 96.6 Ų | 96.6 | 54% | 0.537 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 175.2 | -73.9 | 168.8 | -172.3 | 0 | 0 | 111.8 | R141 R148 Q149 | R141-E145 WeakPolarHBondContact O-CB 3.47Å; R141-E145 VanDerWaalsContact O-CG 3.3Å; R141-E145 WeakPolarHBondContact O-CG 3.41Å; R141-E145 PolarHBondContact O-N 2.81Å; E145-R148 PolarHBondContact O-N 3.41Å; E145-Q149 WeakPolarHBondContact O-CG 3.42Å; E145-Q149 PolarHBondContact O-N 3.21Å |
| 146 | T | 91.4 | Very high | 88.4 | Confident | 67 Ų | 67 | 97.6 Ų | 97.6 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 178.2 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | Q142 L143 R148 Q149 L150 | Q142-T146 WeakPolarHBondContact O-CB 3.41Å; Q142-T146 WeakPolarHBondContact O-CG2 3.48Å; Q142-T146 PolarHBondContact O-N 2.78Å; Q142-T146 PolarHBondContact O-OG1 2.78Å; L143-T146 WeakPolarHBondContact CA-OG1 3.5Å; L143-T146 PolarHBondContact O-OG1 3.37Å; T146-R148 VanDerWaalsContact C-N 3.34Å; T146-R148 PolarHBondContact O-N 2.72Å; T146-Q149 PolarHBondContact O-N 2.61Å; T146-L150 WeakPolarHBondContact O-CB 3.4Å; T146-L150 VanDerWaalsContact O-CG 3.29Å; T146-L150 WeakPolarHBondContact O-CG 3.43Å; T146-L150 PolarHBondContact O-N 3.22Å |
| 147 | N | 89.4 | Confident | 87.8 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 173.7 | -171.5 | 9.8 | 0 | 0 | 0 | 111.4 | L143 L150 C151 | L143-N147 WeakPolarHBondContact O-CB 3.41Å; L143-N147 PolarHBondContact O-N 3.12Å; N147-L150 PolarHBondContact O-N 3.34Å; N147-C151 WeakPolarHBondContact O-CB 3.38Å; N147-C151 PolarHBondContact O-N 2.95Å; N147-C151 PolarHBondContact O-SG 3.11Å |
| 148 | R | 90.2 | Very high | 87.4 | Confident | 167 Ų | 167 | 102.4 Ų | 102.4 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.9 | -49.6 | 172.8 | 178.2 | 174.7 | 176.5 | 157.6 | 4.9 | 111.9 | E144 E145 T146 L150 C151 E152 | E144-R148 WeakPolarHBondContact O-CB 3.46Å; E144-R148 PolarHBondContact O-N 3.05Å; E145-R148 PolarHBondContact O-N 3.41Å; T146-R148 VanDerWaalsContact C-N 3.34Å; T146-R148 PolarHBondContact O-N 2.72Å; R148-L150 VanDerWaalsContact C-N 3.28Å; R148-L150 PolarHBondContact O-N 3.21Å; R148-C151 WeakPolarHBondContact O-CB 3.3Å; R148-C151 PolarHBondContact O-N 3.32Å; R148-E152 HydrophobicContact CG-CG 4.46Å; R148-E152 WeakPolarHBondContact CG-OE1 3.06Å; R148-E152 IonicContact CZ-OE1 3.85Å; R148-E152 IonicContact NE-OE1 3.61Å; R148-E152 PolarHBondContact NE-OE1 3.37Å; R148-E152 IonicContact NH2-OE1 3.21Å; R148-E152 PolarHBondContact NH2-OE1 3.24Å; R148-E152 WeakPolarHBondContact O-CB 3.48Å; R148-E152 WeakPolarHBondContact O-CG 3.47Å; R148-E152 PolarHBondContact O-N 3.04Å |
| 149 | Q | 89.8 | Confident | 86.9 | Confident | 97 Ų | 97 | 104.9 Ų | 104.9 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 176.7 | -70.5 | 172.8 | 23.1 | 0 | 0 | 112.6 | E145 T146 K153 | E145-Q149 WeakPolarHBondContact O-CG 3.42Å; E145-Q149 PolarHBondContact O-N 3.21Å; T146-Q149 PolarHBondContact O-N 2.61Å; Q149-K153 WeakPolarHBondContact O-CB 3.27Å; Q149-K153 VanDerWaalsContact O-CG 3.27Å; Q149-K153 WeakPolarHBondContact O-CG 3.5Å; Q149-K153 PolarHBondContact O-N 2.83Å |
| 150 | L | 87.8 | Confident | 86 | Confident | 116 Ų | 116 | 99.9 Ų | 99.9 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.1 | -41.3 | 175 | -72.1 | 169.4 | 0 | 0 | 0 | 111.8 | T146 N147 R148 A154 | T146-L150 WeakPolarHBondContact O-CB 3.4Å; T146-L150 VanDerWaalsContact O-CG 3.29Å; T146-L150 WeakPolarHBondContact O-CG 3.43Å; T146-L150 PolarHBondContact O-N 3.22Å; N147-L150 PolarHBondContact O-N 3.34Å; R148-L150 VanDerWaalsContact C-N 3.28Å; R148-L150 PolarHBondContact O-N 3.21Å; L150-A154 WeakPolarHBondContact O-CB 3.5Å; L150-A154 PolarHBondContact O-N 2.92Å |
| 151 | C | 85.7 | Confident | 85.4 | Confident | 82 Ų | 82 | 98.5 Ų | 98.5 | 55% | 0.554 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.6 | -39.7 | 173.4 | -78.9 | 0 | 0 | 0 | 0 | 112.5 | N147 R148 G155 | N147-C151 WeakPolarHBondContact O-CB 3.38Å; N147-C151 PolarHBondContact O-N 2.95Å; N147-C151 PolarHBondContact O-SG 3.11Å; R148-C151 WeakPolarHBondContact O-CB 3.3Å; R148-C151 PolarHBondContact O-N 3.32Å; C151-G155 PolarHBondContact O-N 2.94Å |
| 152 | E | 86.3 | Confident | 84.8 | Confident | 83 Ų | 83 | 100.3 Ų | 100.3 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.6 | -50.4 | 176.6 | -74.1 | 165.8 | 171 | 0 | 0 | 110.4 | R148 A154 G155 E156 | R148-E152 HydrophobicContact CG-CG 4.46Å; R148-E152 WeakPolarHBondContact CG-OE1 3.06Å; R148-E152 IonicContact CZ-OE1 3.85Å; R148-E152 IonicContact NE-OE1 3.61Å; R148-E152 PolarHBondContact NE-OE1 3.37Å; R148-E152 IonicContact NH2-OE1 3.21Å; R148-E152 PolarHBondContact NH2-OE1 3.24Å; R148-E152 WeakPolarHBondContact O-CB 3.48Å; R148-E152 WeakPolarHBondContact O-CG 3.47Å; R148-E152 PolarHBondContact O-N 3.04Å; E152-A154 PolarHBondContact O-N 3.05Å; E152-G155 CarbonylContact O-C 3.57Å; E152-G155 WeakPolarHBondContact O-CA 3.46Å; E152-G155 PolarHBondContact O-N 3.27Å; E152-G155 VanDerWaalsContact O-N 3.12Å; E152-E156 WeakPolarHBondContact O-CG 3.38Å; E152-E156 PolarHBondContact O-N 3.46Å |
| 153 | K | 84.9 | Confident | 83.9 | Confident | 121 Ų | 121 | 102.9 Ų | 102.9 | 53% | 0.526 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 175.1 | -71.5 | 169.4 | -178 | 174.1 | 0 | 113.6 | Q149 G155 E156 L157 | Q149-K153 WeakPolarHBondContact O-CB 3.27Å; Q149-K153 VanDerWaalsContact O-CG 3.27Å; Q149-K153 WeakPolarHBondContact O-CG 3.5Å; Q149-K153 PolarHBondContact O-N 2.83Å; K153-G155 VanDerWaalsContact C-N 3.29Å; K153-G155 PolarHBondContact O-N 3.31Å; K153-E156 PolarHBondContact O-N 2.75Å; K153-L157 WeakPolarHBondContact O-CG 3.37Å; K153-L157 PolarHBondContact O-N 3.37Å |
| 154 | A | 79.9 | Confident | 83.3 | Confident | 42 Ų | 42 | 99.9 Ų | 99.9 | 35% | 0.347 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -32.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L150 E152 R158 | L150-A154 WeakPolarHBondContact O-CB 3.5Å; L150-A154 PolarHBondContact O-N 2.92Å; E152-A154 PolarHBondContact O-N 3.05Å; A154-R158 WeakPolarHBondContact O-CB 3.2Å; A154-R158 WeakPolarHBondContact O-CG 3.33Å; A154-R158 PolarHBondContact O-N 3.04Å |
| 155 | G | 82.1 | Confident | 82.6 | Confident | 17 Ų | 17 | 100.7 Ų | 100.7 | 18% | 0.175 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C151 E152 K153 R158 R159 | C151-G155 PolarHBondContact O-N 2.94Å; E152-G155 CarbonylContact O-C 3.57Å; E152-G155 WeakPolarHBondContact O-CA 3.46Å; E152-G155 PolarHBondContact O-N 3.27Å; E152-G155 VanDerWaalsContact O-N 3.12Å; K153-G155 VanDerWaalsContact C-N 3.29Å; K153-G155 PolarHBondContact O-N 3.31Å; G155-R158 PolarHBondContact O-N 3.48Å; G155-R159 WeakPolarHBondContact O-CG 3.39Å; G155-R159 PolarHBondContact O-N 3.42Å; G155-R159 VanDerWaalsContact O-N 3.09Å |
| 156 | E | 80.6 | Confident | 82 | Confident | 112 Ų | 112 | 96.2 Ų | 96.2 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.9 | -49.5 | 175.1 | -71.3 | 163.6 | 176.7 | 0 | 0 | 111.8 | E152 K153 R158 R159 S160 | E152-E156 WeakPolarHBondContact O-CG 3.38Å; E152-E156 PolarHBondContact O-N 3.46Å; K153-E156 PolarHBondContact O-N 2.75Å; E156-R158 VanDerWaalsContact C-N 3.3Å; E156-R158 PolarHBondContact O-N 3.1Å; E156-R159 VanDerWaalsContact CG-NH1 3.31Å; E156-R159 WeakPolarHBondContact O-CB 3.49Å; E156-R159 PolarHBondContact O-N 3.39Å; E156-S160 PolarHBondContact O-N 3.25Å |
| 157 | L | 79.4 | Confident | 81.5 | Confident | 77 Ų | 77 | 96.8 Ų | 96.8 | 40% | 0.403 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.3 | -39.1 | 174.1 | -71.5 | 167.8 | 0 | 0 | 0 | 112.4 | K153 R159 S160 L161 | K153-L157 WeakPolarHBondContact O-CG 3.37Å; K153-L157 PolarHBondContact O-N 3.37Å; L157-R159 VanDerWaalsContact C-N 3.27Å; L157-R159 PolarHBondContact O-N 2.92Å; L157-S160 PolarHBondContact O-N 3.3Å; L157-S160 PolarHBondContact O-OG 3.46Å; L157-S160 VanDerWaalsContact O-OG 3.11Å; L157-L161 WeakPolarHBondContact O-CB 3.28Å; L157-L161 VanDerWaalsContact O-CG 3.26Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.83Å; L157-L161 VanDerWaalsContact O-N 3.07Å |
| 158 | R | 80.9 | Confident | 81 | Confident | 193 Ų | 193 | 100.3 Ų | 100.3 | 73% | 0.728 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.7 | -13 | 175.3 | -75 | 173.9 | 179.2 | -178.6 | 1.7 | 114.7 | A154 G155 E156 R162 | A154-R158 WeakPolarHBondContact O-CB 3.2Å; A154-R158 WeakPolarHBondContact O-CG 3.33Å; A154-R158 PolarHBondContact O-N 3.04Å; G155-R158 PolarHBondContact O-N 3.48Å; E156-R158 VanDerWaalsContact C-N 3.3Å; E156-R158 PolarHBondContact O-N 3.1Å; R158-R162 PolarHBondContact O-NE 3.37Å |
| 159 | R | 81.5 | Confident | 80.4 | Confident | 157 Ų | 157 | 97.5 Ų | 97.5 | 59% | 0.592 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -89.5 | -45.2 | 170 | -70 | 175.2 | -144.3 | 114.9 | 2.8 | 110.2 | G155 E156 L157 L161 R162 | G155-R159 WeakPolarHBondContact O-CG 3.39Å; G155-R159 PolarHBondContact O-N 3.42Å; G155-R159 VanDerWaalsContact O-N 3.09Å; E156-R159 VanDerWaalsContact CG-NH1 3.31Å; E156-R159 WeakPolarHBondContact O-CB 3.49Å; E156-R159 PolarHBondContact O-N 3.39Å; L157-R159 VanDerWaalsContact C-N 3.27Å; L157-R159 PolarHBondContact O-N 2.92Å; R159-L161 VanDerWaalsContact C-N 3.3Å; R159-L161 PolarHBondContact O-N 2.86Å; R159-R162 WeakPolarHBondContact O-CB 3.25Å; R159-R162 PolarHBondContact O-N 3.34Å |
| 160 | S | 73.9 | Confident | 79.8 | Confident | 32 Ų | 32 | 98.4 Ų | 98.4 | 22% | 0.224 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.2 | -33.7 | -179.6 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | E156 L157 R162 Q185 | E156-S160 PolarHBondContact O-N 3.25Å; L157-S160 PolarHBondContact O-N 3.3Å; L157-S160 PolarHBondContact O-OG 3.46Å; L157-S160 VanDerWaalsContact O-OG 3.11Å; S160-R162 PolarHBondContact O-N 3.14Å; S160-Q185 WeakPolarHBondContact O-CG 3.27Å; S160-Q185 PolarHBondContact O-NE2 3.33Å |
| 161 | L | 75.6 | Confident | 79.5 | Confident | 63 Ų | 63 | 94.5 Ų | 94.5 | 33% | 0.33 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 12.8 | 177.4 | -68.2 | 171.3 | 0 | 0 | 0 | 115.4 | L157 R159 L164 V188 | L157-L161 WeakPolarHBondContact O-CB 3.28Å; L157-L161 VanDerWaalsContact O-CG 3.26Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.83Å; L157-L161 VanDerWaalsContact O-N 3.07Å; R159-L161 VanDerWaalsContact C-N 3.3Å; R159-L161 PolarHBondContact O-N 2.86Å; L161-L164 HydrophobicContact CD2-CD2 4.19Å; L161-V188 HydrophobicContact CD2-CB 3.85Å; L161-V188 HydrophobicContact CD2-CG1 3.97Å; L161-V188 HydrophobicContact CD2-CG2 4.07Å |
| 162 | R | 77.2 | Confident | 79.2 | Confident | 195 Ų | 195 | 95.7 Ų | 95.7 | 74% | 0.736 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -45.7 | 176.4 | -66.8 | -173.6 | 177.6 | -144.3 | -4.4 | 112.9 | R158 R159 S160 L164 | R158-R162 PolarHBondContact O-NE 3.37Å; R159-R162 WeakPolarHBondContact O-CB 3.25Å; R159-R162 PolarHBondContact O-N 3.34Å; S160-R162 PolarHBondContact O-N 3.14Å; R162-L164 PolarHBondContact O-N 3.25Å |
| 163 | D | 73.8 | Confident | 78.9 | Confident | 139 Ų | 139 | 98.1 Ų | 98.1 | 74% | 0.743 | 46% | 0.459 | S | S | * | . | trans | -102.2 | 89.7 | -173.3 | -55.1 | -39.4 | 0 | 0 | 0 | 108.8 | ||||
| 164 | L | 75.6 | Confident | 78.4 | Confident | 25 Ų | 25 | 93.1 Ų | 93.1 | 13% | 0.131 | 44% | 0.438 | C | S | . | . | trans | -108.5 | -4.6 | -171.8 | -62.7 | 173.2 | 0 | 0 | 0 | 114 | L161 R162 I166 V188 A189 F192 | L161-L164 HydrophobicContact CD2-CD2 4.19Å; R162-L164 PolarHBondContact O-N 3.25Å; L164-I166 PolarHBondContact O-N 2.97Å; L164-V188 HydrophobicContact CD1-CG1 3.91Å; L164-V188 HydrophobicContact CD2-CG1 4.14Å; L164-A189 HydrophobicContact CB-CB 4.28Å; L164-A189 HydrophobicContact CD2-CB 3.88Å; L164-F192 HydrophobicContact CB-CB 4.45Å; L164-F192 HydrophobicContact CB-CD1 3.97Å; L164-F192 HydrophobicContact CB-CE1 4.46Å; L164-F192 HydrophobicContact CB-CG 4.24Å | ||
| 165 | D | 76.6 | Confident | 78.4 | Confident | 119 Ų | 119 | 99.1 Ų | 99.1 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | trans | -70.6 | 112.3 | 175.4 | -81.8 | -53.4 | 0 | 0 | 0 | 109.9 | R200 | D165-R200 IonicContact OD1-NH2 2.64Š| ||
| 166 | I | 79.9 | Confident | 78 | Confident | 21 Ų | 21 | 101.6 Ų | 101.6 | 11% | 0.108 | 48% | 0.477 | C | S | . | . | trans | -112.1 | 136.9 | -178.5 | -77 | -172.1 | 0 | 0 | 0 | 110.2 | L164 R170 L174 A189 Y193 | L164-I166 PolarHBondContact O-N 2.97Å; I166-R170 HydrophobicContact CG2-CB 3.85Å; I166-R170 HydrophobicContact CG2-CG 4.02Å; I166-L174 HydrophobicContact CD1-CD1 3.8Å; I166-A189 HydrophobicContact CD1-CB 3.37Å; I166-A189 HydrophobicContact CG1-CB 3.95Å; I166-Y193 WeakPolarHBondContact O-CD2 3.42Å; I166-Y193 VanDerWaalsContact O-CE2 3.29Å; I166-Y193 WeakPolarHBondContact O-CE2 3.31Å | ||
| 167 | P | 80.9 | Confident | 77.8 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | trans | -68.5 | 152.3 | 174.4 | 28.9 | -34.9 | 0 | 0 | 0 | 111.7 | D169 R170 Y171 | P167-D169 PolarHBondContact O-N 3.09Å; P167-R170 HydrophobicContact CG-CB 4.1Å; P167-R170 PolarHBondContact O-N 3.02Å; P167-R170 VanDerWaalsContact O-N 3.11Å; P167-Y171 PolarHBondContact O-N 3.07Å; P167-Y171 VanDerWaalsContact O-N 3.1Å | ||
| 168 | R | 77.8 | Confident | 77.7 | Confident | 170 Ų | 170 | 99.1 Ų | 99.1 | 64% | 0.642 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -53.3 | -31.6 | -172.6 | -172.9 | 176.4 | 178.1 | -175.5 | 0.3 | 114 | Q172 Y193 | R168-Q172 WeakPolarHBondContact O-CG 3.49Å; R168-Q172 PolarHBondContact O-N 2.76Å; R168-Q172 PolarHBondContact O-NE2 3.2Å; R168-Y193 WeakPolarHBondContact CB-OH 3.2Å; R168-Y193 WeakPolarHBondContact CG-OH 3.49Å |
| 169 | D | 79.3 | Confident | 77 | Confident | 108 Ų | 108 | 94.6 Ų | 94.6 | 58% | 0.578 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.7 | -48.6 | -177.5 | -44.3 | -55.2 | 0 | 0 | 0 | 110.5 | P167 Y171 Q172 E173 | P167-D169 PolarHBondContact O-N 3.09Å; D169-Y171 VanDerWaalsContact C-N 3.29Å; D169-Y171 PolarHBondContact O-N 3.09Å; D169-Q172 WeakPolarHBondContact O-CA 3.48Å; D169-Q172 WeakPolarHBondContact O-CB 3.49Å; D169-Q172 PolarHBondContact O-N 3.47Å; D169-E173 PolarHBondContact O-N 3.16Å |
| 170 | R | 76.9 | Confident | 76.5 | Confident | 116 Ų | 116 | 95 Ų | 95 | 44% | 0.438 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.5 | -25.5 | 176.2 | -175.7 | 175.3 | -177.9 | -165.6 | -1.1 | 113.3 | I166 P167 E173 L174 E186 | I166-R170 HydrophobicContact CG2-CB 3.85Å; I166-R170 HydrophobicContact CG2-CG 4.02Å; P167-R170 HydrophobicContact CG-CB 4.1Å; P167-R170 PolarHBondContact O-N 3.02Å; P167-R170 VanDerWaalsContact O-N 3.11Å; R170-E173 WeakPolarHBondContact CA-OE2 3.33Å; R170-L174 HydrophobicContact CG-CD1 4.39Å; R170-L174 WeakPolarHBondContact O-CG 3.33Å; R170-L174 PolarHBondContact O-N 3.43Å; R170-L174 VanDerWaalsContact O-N 3.13Å; R170-E186 IonicContact NH2-OE1 3.93Å; R170-E186 PolarHBondContact NH2-OE1 3.26Å |
| 171 | Y | 80.6 | Confident | 76.4 | Confident | 33 Ų | 33 | 103.5 Ų | 103.5 | 13% | 0.129 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 166.3 | 164.8 | -105.5 | 0 | 0 | 0 | 111.9 | P167 D169 L174 R175 M190 Y193 E194 | P167-Y171 PolarHBondContact O-N 3.07Å; P167-Y171 VanDerWaalsContact O-N 3.1Å; D169-Y171 VanDerWaalsContact C-N 3.29Å; D169-Y171 PolarHBondContact O-N 3.09Å; Y171-L174 PolarHBondContact O-N 3.13Å; Y171-R175 VanDerWaalsContact O-CB 3.28Å; Y171-R175 WeakPolarHBondContact O-CB 3.34Å; Y171-R175 PolarHBondContact O-N 3.34Å; Y171-R175 WeakPolarHBondContact OH-CD 3.49Å; Y171-R175 PolarHBondContact OH-NE 3.32Å; Y171-M190 HydrophobicContact CD2-CG 3.75Å; Y171-M190 HydrophobicContact CE2-CG 3.64Å; Y171-Y193 AromaticContact CD1-CD1 3.64Å; Y171-Y193 HydrophobicContact CD1-CD1 3.64Å; Y171-Y193 AromaticContact CD1-CE1 3.51Å; Y171-Y193 HydrophobicContact CD1-CE1 3.51Å; Y171-Y193 AromaticContact CD2-CD1 3.51Å; Y171-Y193 HydrophobicContact CD2-CD1 3.51Å; Y171-Y193 HydrophobicContact CD2-CE1 4.25Å; Y171-Y193 HydrophobicContact CD2-CG 4.09Å; Y171-Y193 HydrophobicContact CE1-CD1 4.07Å; Y171-Y193 HydrophobicContact CE1-CE1 4.03Å; Y171-Y193 AromaticContact CE2-CD1 3.96Å; Y171-Y193 HydrophobicContact CE2-CD1 3.96Å; Y171-Y193 AromaticContact CG-CD1 3.33Å; Y171-Y193 HydrophobicContact CG-CD1 3.33Å; Y171-Y193 AromaticContact CG-CE1 3.64Å; Y171-Y193 HydrophobicContact CG-CE1 3.64Å; Y171-Y193 HydrophobicContact CG-CG 4.06Å; Y171-E194 HydrophobicContact CE2-CG 3.64Å; Y171-E194 WeakPolarHBondContact OH-CG 3.3Å; Y171-E194 PolarHBondContact OH-OE1 3.36Å |
| 172 | Q | 79.4 | Confident | 76.6 | Confident | 108 Ų | 108 | 101.4 Ų | 101.4 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 178.5 | -70.9 | 165.8 | 92 | 0 | 0 | 112 | R168 D169 | R168-Q172 WeakPolarHBondContact O-CG 3.49Å; R168-Q172 PolarHBondContact O-N 2.76Å; R168-Q172 PolarHBondContact O-NE2 3.2Å; D169-Q172 WeakPolarHBondContact O-CA 3.48Å; D169-Q172 WeakPolarHBondContact O-CB 3.49Å; D169-Q172 PolarHBondContact O-N 3.47Å |
| 173 | E | 79.9 | Confident | 76.6 | Confident | 134 Ų | 134 | 94.8 Ų | 94.8 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59 | -54.5 | 172.5 | -66.7 | 171.1 | 163.1 | 0 | 0 | 111.4 | D169 R170 R175 G176 | D169-E173 PolarHBondContact O-N 3.16Å; R170-E173 WeakPolarHBondContact CA-OE2 3.33Å; E173-R175 VanDerWaalsContact C-N 3.33Å; E173-R175 PolarHBondContact O-N 2.99Å; E173-G176 PolarHBondContact O-N 3.14Å |
| 174 | L | 75.4 | Confident | 76.7 | Confident | 16 Ų | 16 | 93.2 Ų | 93.2 | 8% | 0.084 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.8 | -36.2 | -178 | -70.9 | 172.1 | 0 | 0 | 0 | 112.6 | I166 R170 Y171 G176 V177 E186 M190 | I166-L174 HydrophobicContact CD1-CD1 3.8Å; R170-L174 HydrophobicContact CG-CD1 4.39Å; R170-L174 WeakPolarHBondContact O-CG 3.33Å; R170-L174 PolarHBondContact O-N 3.43Å; R170-L174 VanDerWaalsContact O-N 3.13Å; Y171-L174 PolarHBondContact O-N 3.13Å; L174-G176 PolarHBondContact O-N 3.02Å; L174-V177 PolarHBondContact O-N 3.04Å; L174-V177 VanDerWaalsContact O-N 3.13Å; L174-E186 HydrophobicContact CD1-CB 4.01Å; L174-E186 HydrophobicContact CD1-CG 4.42Å; L174-E186 HydrophobicContact CD2-CB 3.96Å; L174-E186 HydrophobicContact CD2-CG 4.32Å; L174-M190 HydrophobicContact CB-CE 4.05Å; L174-M190 WeakPolarHBondContact O-CE 3.35Å |
| 175 | R | 78.4 | Confident | 76.9 | Confident | 167 Ų | 167 | 95.2 Ų | 95.2 | 63% | 0.63 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.4 | 178.1 | -165.9 | -177.7 | -169.2 | -126.4 | 0.7 | 113.7 | Y171 E173 | Y171-R175 VanDerWaalsContact O-CB 3.28Å; Y171-R175 WeakPolarHBondContact O-CB 3.34Å; Y171-R175 PolarHBondContact O-N 3.34Å; Y171-R175 WeakPolarHBondContact OH-CD 3.49Å; Y171-R175 PolarHBondContact OH-NE 3.32Å; E173-R175 VanDerWaalsContact C-N 3.33Å; E173-R175 PolarHBondContact O-N 2.99Å |
| 176 | G | 74.4 | Confident | 77 | Confident | 70 Ų | 70 | 92 Ų | 92 | 72% | 0.722 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E173 L174 | E173-G176 PolarHBondContact O-N 3.14Å; L174-G176 PolarHBondContact O-N 3.02Å |
| 177 | V | 77.6 | Confident | 77 | Confident | 61 Ų | 61 | 95.1 Ų | 95.1 | 37% | 0.37 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -100.8 | 141.7 | -175.6 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | L174 R181 I182 | L174-V177 PolarHBondContact O-N 3.04Å; L174-V177 VanDerWaalsContact O-N 3.13Å; V177-R181 HydrophobicContact CG1-CB 3.94Å; V177-I182 HydrophobicContact CB-CD1 4.01Å; V177-I182 HydrophobicContact CB-CG1 3.9Å; V177-I182 HydrophobicContact CG1-CD1 4.32Å; V177-I182 HydrophobicContact CG1-CG1 3.67Å |
| 178 | P | 75.6 | Confident | 77 | Confident | 76 Ų | 76 | 93.9 Ų | 93.9 | 49% | 0.494 | 46% | 0.46 | S | S | . | . | trans | -73.2 | 140.3 | 172.6 | 29.3 | -34.9 | 0 | 0 | 0 | 111.7 | D180 R181 | P178-D180 PolarHBondContact O-N 3.2Å; P178-R181 HydrophobicContact CG-CG 4.36Å; P178-R181 PolarHBondContact O-N 3.38Å | ||
| 179 | D | 67.9 | Low | 77.2 | Confident | 98 Ų | 98 | 85.9 Ų | 85.9 | 52% | 0.524 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -49.7 | -37.3 | -172.6 | -68.3 | -30.5 | 0 | 0 | 0 | 114.3 | R181 I182 Y187 | D179-R181 PolarHBondContact O-N 3.42Å; D179-I182 PolarHBondContact O-N 3.2Å; D179-Y187 WeakPolarHBondContact OD1-CD2 3.47Å |
| 180 | D | 70.9 | Confident | 77.3 | Confident | 166 Ų | 166 | 81.4 Ų | 81.4 | 89% | 0.888 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -57.9 | -12.8 | 177.5 | -61.9 | -40.1 | 0 | 0 | 0 | 114.6 | P178 | P178-D180 PolarHBondContact O-N 3.2Š|
| 181 | R | 71.8 | Confident | 77.5 | Confident | 209 Ų | 209 | 82 Ų | 82 | 79% | 0.789 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -116.2 | -1.5 | -179.1 | -61 | -174.5 | -179.2 | -172.4 | 0.1 | 113.9 | V177 P178 D179 | V177-R181 HydrophobicContact CG1-CB 3.94Å; P178-R181 HydrophobicContact CG-CG 4.36Å; P178-R181 PolarHBondContact O-N 3.38Å; D179-R181 PolarHBondContact O-N 3.42Å |
| 182 | I | 78.3 | Confident | 77.6 | Confident | 20 Ų | 20 | 84.1 Ų | 84.1 | 10% | 0.103 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -93.5 | 139.1 | -177.3 | -57.7 | -177.5 | 0 | 0 | 0 | 109.4 | V177 D179 E186 M190 | V177-I182 HydrophobicContact CB-CD1 4.01Å; V177-I182 HydrophobicContact CB-CG1 3.9Å; V177-I182 HydrophobicContact CG1-CD1 4.32Å; V177-I182 HydrophobicContact CG1-CG1 3.67Å; D179-I182 PolarHBondContact O-N 3.2Å; I182-E186 HydrophobicContact CG2-CB 3.55Å; I182-M190 HydrophobicContact CD1-CE 3.6Å |
| 183 | S | 78.1 | Confident | 77.8 | Confident | 56 Ų | 56 | 81 Ų | 81 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | trans | -63.5 | 145.8 | 172.6 | -179.4 | 0 | 0 | 0 | 0 | 111 | Q185 E186 Y187 | S183-Q185 PolarHBondContact O-N 2.77Å; S183-Q185 VanDerWaalsContact O-N 3.07Å; S183-E186 WeakPolarHBondContact CB-OE2 3.38Å; S183-E186 PolarHBondContact N-OE2 2.73Å; S183-E186 PolarHBondContact O-N 3.06Å; S183-Y187 PolarHBondContact O-N 3.27Å | ||
| 184 | I | 75.9 | Confident | 78 | Confident | 106 Ų | 106 | 77.5 Ų | 77.5 | 54% | 0.544 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -52.9 | -35.3 | 175.9 | -61.7 | 174.1 | 0 | 0 | 0 | 111.2 | V188 | I184-V188 WeakPolarHBondContact O-CB 3.39Å; I184-V188 VanDerWaalsContact O-CG2 3.24Å; I184-V188 WeakPolarHBondContact O-CG2 3.42Å; I184-V188 PolarHBondContact O-N 3.01Å; I184-V188 VanDerWaalsContact O-N 3.16Å |
| 185 | Q | 79.8 | Confident | 78.3 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 174 | -177.7 | -173.4 | 5.2 | 0 | 0 | 112.4 | S160 S183 V188 A189 | S160-Q185 WeakPolarHBondContact O-CG 3.27Å; S160-Q185 PolarHBondContact O-NE2 3.33Å; S183-Q185 PolarHBondContact O-N 2.77Å; S183-Q185 VanDerWaalsContact O-N 3.07Å; Q185-V188 PolarHBondContact O-N 3.33Å; Q185-A189 VanDerWaalsContact O-CB 3.27Å; Q185-A189 WeakPolarHBondContact O-CB 3.37Å; Q185-A189 PolarHBondContact O-N 3.36Å |
| 186 | E | 78.2 | Confident | 78.5 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 24% | 0.243 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -74.4 | -36.4 | -173.8 | -67.1 | 174.3 | 134.9 | 0 | 0 | 111.7 | R170 L174 I182 S183 A189 M190 | R170-E186 IonicContact NH2-OE1 3.93Å; R170-E186 PolarHBondContact NH2-OE1 3.26Å; L174-E186 HydrophobicContact CD1-CB 4.01Å; L174-E186 HydrophobicContact CD1-CG 4.42Å; L174-E186 HydrophobicContact CD2-CB 3.96Å; L174-E186 HydrophobicContact CD2-CG 4.32Å; I182-E186 HydrophobicContact CG2-CB 3.55Å; S183-E186 WeakPolarHBondContact CB-OE2 3.38Å; S183-E186 PolarHBondContact N-OE2 2.73Å; S183-E186 PolarHBondContact O-N 3.06Å; E186-A189 PolarHBondContact O-N 3.22Å; E186-M190 WeakPolarHBondContact O-CB 3.45Å; E186-M190 PolarHBondContact O-N 2.99Å |
| 187 | Y | 80.4 | Confident | 78.9 | Confident | 85 Ų | 85 | 72.2 Ų | 72.2 | 33% | 0.333 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 171.5 | 176.4 | -95.4 | 0 | 0 | 0 | 111.2 | D179 S183 A189 M190 R191 | D179-Y187 WeakPolarHBondContact OD1-CD2 3.47Å; S183-Y187 PolarHBondContact O-N 3.27Å; Y187-A189 VanDerWaalsContact C-N 3.35Å; Y187-A189 PolarHBondContact O-N 3.47Å; Y187-M190 WeakPolarHBondContact O-CB 3.31Å; Y187-M190 PolarHBondContact O-N 3.34Å; Y187-R191 HydrophobicContact CE1-CG 4.12Å; Y187-R191 HydrophobicContact CE2-CG 4.43Å; Y187-R191 WeakPolarHBondContact O-CG 3.23Å; Y187-R191 PolarHBondContact O-N 3.2Å; Y187-R191 PolarHBondContact OH-NE 3.15Å |
| 188 | V | 80.6 | Confident | 79.2 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L161 L164 I184 Q185 R191 F192 | L161-V188 HydrophobicContact CD2-CB 3.85Å; L161-V188 HydrophobicContact CD2-CG1 3.97Å; L161-V188 HydrophobicContact CD2-CG2 4.07Å; L164-V188 HydrophobicContact CD1-CG1 3.91Å; L164-V188 HydrophobicContact CD2-CG1 4.14Å; I184-V188 WeakPolarHBondContact O-CB 3.39Å; I184-V188 VanDerWaalsContact O-CG2 3.24Å; I184-V188 WeakPolarHBondContact O-CG2 3.42Å; I184-V188 PolarHBondContact O-N 3.01Å; I184-V188 VanDerWaalsContact O-N 3.16Å; Q185-V188 PolarHBondContact O-N 3.33Å; V188-R191 PolarHBondContact O-N 3.49Å; V188-F192 WeakPolarHBondContact O-CB 3.4Å; V188-F192 PolarHBondContact O-N 3.15Å |
| 189 | A | 81.5 | Confident | 79.5 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 2% | 0.017 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L164 I166 Q185 E186 Y187 F192 Y193 | L164-A189 HydrophobicContact CB-CB 4.28Å; L164-A189 HydrophobicContact CD2-CB 3.88Å; I166-A189 HydrophobicContact CD1-CB 3.37Å; I166-A189 HydrophobicContact CG1-CB 3.95Å; Q185-A189 VanDerWaalsContact O-CB 3.27Å; Q185-A189 WeakPolarHBondContact O-CB 3.37Å; Q185-A189 PolarHBondContact O-N 3.36Å; E186-A189 PolarHBondContact O-N 3.22Å; Y187-A189 VanDerWaalsContact C-N 3.35Å; Y187-A189 PolarHBondContact O-N 3.47Å; A189-F192 PolarHBondContact O-N 3.25Å; A189-Y193 WeakPolarHBondContact O-CB 3.28Å; A189-Y193 PolarHBondContact O-N 3.1Å |
| 190 | M | 82.1 | Confident | 80.3 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.069 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.9 | -50 | 171.1 | -171.9 | -156.6 | -55.8 | 0 | 0 | 110.5 | Y171 L174 I182 E186 Y187 F192 Y193 E194 | Y171-M190 HydrophobicContact CD2-CG 3.75Å; Y171-M190 HydrophobicContact CE2-CG 3.64Å; L174-M190 HydrophobicContact CB-CE 4.05Å; L174-M190 WeakPolarHBondContact O-CE 3.35Å; I182-M190 HydrophobicContact CD1-CE 3.6Å; E186-M190 WeakPolarHBondContact O-CB 3.45Å; E186-M190 PolarHBondContact O-N 2.99Å; Y187-M190 WeakPolarHBondContact O-CB 3.31Å; Y187-M190 PolarHBondContact O-N 3.34Å; M190-F192 VanDerWaalsContact C-N 3.35Å; M190-F192 PolarHBondContact O-N 3.13Å; M190-Y193 WeakPolarHBondContact O-CB 3.42Å; M190-Y193 PolarHBondContact O-N 3.37Å; M190-E194 WeakPolarHBondContact O-CG 3.48Å; M190-E194 PolarHBondContact O-N 2.94Å |
| 191 | R | 81 | Confident | 80.9 | Confident | 129 Ų | 129 | 70.5 Ų | 70.5 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -35.5 | 178.6 | -66.4 | -51.2 | -147.2 | 157.3 | 8.1 | 113.4 | Y187 V188 E194 A195 | Y187-R191 HydrophobicContact CE1-CG 4.12Å; Y187-R191 HydrophobicContact CE2-CG 4.43Å; Y187-R191 WeakPolarHBondContact O-CG 3.23Å; Y187-R191 PolarHBondContact O-N 3.2Å; Y187-R191 PolarHBondContact OH-NE 3.15Å; V188-R191 PolarHBondContact O-N 3.49Å; R191-E194 VanDerWaalsContact CD-OE2 3.25Å; R191-E194 WeakPolarHBondContact CD-OE2 3.39Å; R191-E194 IonicContact CZ-OE2 3.52Å; R191-E194 IonicContact NE-OE2 2.76Å; R191-E194 IonicContact NH1-OE2 2.64Å; R191-E194 PolarHBondContact NH1-OE2 2.99Å; R191-E194 PolarHBondContact O-N 3.33Å; R191-A195 PolarHBondContact O-N 3.43Å; R191-A195 VanDerWaalsContact O-N 3.15Å |
| 192 | F | 81.8 | Confident | 81.4 | Confident | 78 Ų | 78 | 65.4 Ų | 65.4 | 34% | 0.342 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 173.1 | -174.2 | -105.2 | 0 | 0 | 0 | 111.1 | L164 V188 A189 M190 E194 A195 V196 | L164-F192 HydrophobicContact CB-CB 4.45Å; L164-F192 HydrophobicContact CB-CD1 3.97Å; L164-F192 HydrophobicContact CB-CE1 4.46Å; L164-F192 HydrophobicContact CB-CG 4.24Å; V188-F192 WeakPolarHBondContact O-CB 3.4Å; V188-F192 PolarHBondContact O-N 3.15Å; A189-F192 PolarHBondContact O-N 3.25Å; M190-F192 VanDerWaalsContact C-N 3.35Å; M190-F192 PolarHBondContact O-N 3.13Å; F192-E194 PolarHBondContact O-N 3.23Å; F192-A195 PolarHBondContact O-N 2.95Å; F192-V196 HydrophobicContact CD1-CG2 4.46Å; F192-V196 HydrophobicContact CD2-CG2 3.95Å; F192-V196 HydrophobicContact CE1-CG2 4.28Å; F192-V196 HydrophobicContact CE2-CG2 3.76Å; F192-V196 HydrophobicContact CG-CG2 4.31Å; F192-V196 HydrophobicContact CZ-CG2 3.93Å; F192-V196 VanDerWaalsContact O-CB 3.3Å; F192-V196 WeakPolarHBondContact O-CB 3.2Å; F192-V196 VanDerWaalsContact O-CG2 3.32Å; F192-V196 WeakPolarHBondContact O-CG2 3.27Å; F192-V196 PolarHBondContact O-N 3.17Å |
| 193 | Y | 84.3 | Confident | 81.6 | Confident | 41 Ų | 41 | 70.6 Ų | 70.6 | 16% | 0.161 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.6 | -172.2 | -89.9 | 0 | 0 | 0 | 112.5 | I166 R168 Y171 A189 M190 A195 T197 | I166-Y193 WeakPolarHBondContact O-CD2 3.42Å; I166-Y193 VanDerWaalsContact O-CE2 3.29Å; I166-Y193 WeakPolarHBondContact O-CE2 3.31Å; R168-Y193 WeakPolarHBondContact CB-OH 3.2Å; R168-Y193 WeakPolarHBondContact CG-OH 3.49Å; Y171-Y193 AromaticContact CD1-CD1 3.64Å; Y171-Y193 HydrophobicContact CD1-CD1 3.64Å; Y171-Y193 AromaticContact CD1-CE1 3.51Å; Y171-Y193 HydrophobicContact CD1-CE1 3.51Å; Y171-Y193 AromaticContact CD2-CD1 3.51Å; Y171-Y193 HydrophobicContact CD2-CD1 3.51Å; Y171-Y193 HydrophobicContact CD2-CE1 4.25Å; Y171-Y193 HydrophobicContact CD2-CG 4.09Å; Y171-Y193 HydrophobicContact CE1-CD1 4.07Å; Y171-Y193 HydrophobicContact CE1-CE1 4.03Å; Y171-Y193 AromaticContact CE2-CD1 3.96Å; Y171-Y193 HydrophobicContact CE2-CD1 3.96Å; Y171-Y193 AromaticContact CG-CD1 3.33Å; Y171-Y193 HydrophobicContact CG-CD1 3.33Å; Y171-Y193 AromaticContact CG-CE1 3.64Å; Y171-Y193 HydrophobicContact CG-CE1 3.64Å; Y171-Y193 HydrophobicContact CG-CG 4.06Å; A189-Y193 WeakPolarHBondContact O-CB 3.28Å; A189-Y193 PolarHBondContact O-N 3.1Å; M190-Y193 WeakPolarHBondContact O-CB 3.42Å; M190-Y193 PolarHBondContact O-N 3.37Å; Y193-A195 PolarHBondContact O-N 3.48Å; Y193-T197 HydrophobicContact CE1-CG2 4.37Å; Y193-T197 WeakPolarHBondContact CE2-OG1 3.36Å; Y193-T197 WeakPolarHBondContact O-CB 3.47Å; Y193-T197 PolarHBondContact O-N 3.36Å; Y193-T197 VanDerWaalsContact O-N 3.13Å; Y193-T197 PolarHBondContact O-OG1 3.32Å |
| 194 | E | 83.8 | Confident | 81.8 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 29% | 0.285 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59 | -43.2 | 177 | -71.9 | -171.5 | 143 | 0 | 0 | 113 | Y171 M190 R191 F192 P198 | Y171-E194 HydrophobicContact CE2-CG 3.64Å; Y171-E194 WeakPolarHBondContact OH-CG 3.3Å; Y171-E194 PolarHBondContact OH-OE1 3.36Å; M190-E194 WeakPolarHBondContact O-CG 3.48Å; M190-E194 PolarHBondContact O-N 2.94Å; R191-E194 VanDerWaalsContact CD-OE2 3.25Å; R191-E194 WeakPolarHBondContact CD-OE2 3.39Å; R191-E194 IonicContact CZ-OE2 3.52Å; R191-E194 IonicContact NE-OE2 2.76Å; R191-E194 IonicContact NH1-OE2 2.64Å; R191-E194 PolarHBondContact NH1-OE2 2.99Å; R191-E194 PolarHBondContact O-N 3.33Å; F192-E194 PolarHBondContact O-N 3.23Å; E194-P198 WeakPolarHBondContact O-CD 3.48Å; E194-P198 WeakPolarHBondContact O-CG 3.36Å |
| 195 | A | 81.4 | Confident | 82.3 | Confident | 58 Ų | 58 | 70.6 Ų | 70.6 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -78.3 | -40.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R191 F192 Y193 | R191-A195 PolarHBondContact O-N 3.43Å; R191-A195 VanDerWaalsContact O-N 3.15Å; F192-A195 PolarHBondContact O-N 2.95Å; Y193-A195 PolarHBondContact O-N 3.48Å |
| 196 | V | 83.5 | Confident | 82.4 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 22% | 0.218 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -85.6 | -37.7 | -169.2 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | F192 L199 R200 | F192-V196 HydrophobicContact CD1-CG2 4.46Å; F192-V196 HydrophobicContact CD2-CG2 3.95Å; F192-V196 HydrophobicContact CE1-CG2 4.28Å; F192-V196 HydrophobicContact CE2-CG2 3.76Å; F192-V196 HydrophobicContact CG-CG2 4.31Å; F192-V196 HydrophobicContact CZ-CG2 3.93Å; F192-V196 VanDerWaalsContact O-CB 3.3Å; F192-V196 WeakPolarHBondContact O-CB 3.2Å; F192-V196 VanDerWaalsContact O-CG2 3.32Å; F192-V196 WeakPolarHBondContact O-CG2 3.27Å; F192-V196 PolarHBondContact O-N 3.17Å; V196-L199 PolarHBondContact O-N 3.15Å; V196-R200 HydrophobicContact CG1-CG 3.96Å; V196-R200 VanDerWaalsContact CG1-NE 3.27Å; V196-R200 WeakPolarHBondContact O-CG 3.45Å; V196-R200 PolarHBondContact O-N 2.71Å |
| 197 | T | 83.3 | Confident | 82.7 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 30% | 0.301 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.7 | -48.1 | -177.9 | -55.2 | 0 | 0 | 0 | 0 | 114.4 | Y193 L199 R200 S201 | Y193-T197 HydrophobicContact CE1-CG2 4.37Å; Y193-T197 WeakPolarHBondContact CE2-OG1 3.36Å; Y193-T197 WeakPolarHBondContact O-CB 3.47Å; Y193-T197 PolarHBondContact O-N 3.36Å; Y193-T197 VanDerWaalsContact O-N 3.13Å; Y193-T197 PolarHBondContact O-OG1 3.32Å; T197-L199 PolarHBondContact O-N 2.94Å; T197-R200 PolarHBondContact O-N 3.1Å; T197-S201 PolarHBondContact O-N 2.99Å |
| 198 | P | 83.9 | Confident | 83 | Confident | 59 Ų | 59 | 74 Ų | 74 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 178.3 | 24.2 | -33.4 | 0 | 0 | 0 | 111.8 | E194 R200 S201 Q202 | E194-P198 WeakPolarHBondContact O-CD 3.48Å; E194-P198 WeakPolarHBondContact O-CG 3.36Å; P198-R200 PolarHBondContact O-N 3.39Å; P198-S201 PolarHBondContact O-N 3.11Å; P198-S201 VanDerWaalsContact O-N 3.14Å; P198-S201 PolarHBondContact O-OG 3.27Å; P198-Q202 WeakPolarHBondContact O-CG 3.49Å; P198-Q202 PolarHBondContact O-N 3Å |
| 199 | L | 81.7 | Confident | 83.1 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.5 | -64.4 | 174.2 | 0 | 0 | 0 | 112.2 | V196 T197 S201 Q202 L203 | V196-L199 PolarHBondContact O-N 3.15Å; T197-L199 PolarHBondContact O-N 2.94Å; L199-S201 VanDerWaalsContact C-N 3.33Å; L199-S201 PolarHBondContact O-N 3.18Å; L199-Q202 PolarHBondContact O-N 2.68Å; L199-L203 WeakPolarHBondContact O-CG 3.38Å; L199-L203 PolarHBondContact O-N 3.22Å |
| 200 | R | 83.6 | Confident | 83.3 | Confident | 147 Ų | 147 | 86.2 Ų | 86.2 | 56% | 0.555 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.4 | -42.2 | 172.5 | -70.4 | -173.6 | -166.8 | -89.2 | 14 | 111.5 | D165 V196 T197 P198 A204 | D165-R200 IonicContact OD1-NH2 2.64Å; V196-R200 HydrophobicContact CG1-CG 3.96Å; V196-R200 VanDerWaalsContact CG1-NE 3.27Å; V196-R200 WeakPolarHBondContact O-CG 3.45Å; V196-R200 PolarHBondContact O-N 2.71Å; T197-R200 PolarHBondContact O-N 3.1Å; P198-R200 PolarHBondContact O-N 3.39Å; R200-A204 PolarHBondContact O-N 3.46Å; R200-A204 VanDerWaalsContact O-N 3.16Å |
| 201 | S | 83.6 | Confident | 83.5 | Confident | 55 Ų | 55 | 88.3 Ų | 88.3 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 178 | 70.2 | 0 | 0 | 0 | 0 | 113.6 | T197 P198 L199 A204 Q205 | T197-S201 PolarHBondContact O-N 2.99Å; P198-S201 PolarHBondContact O-N 3.11Å; P198-S201 VanDerWaalsContact O-N 3.14Å; P198-S201 PolarHBondContact O-OG 3.27Å; L199-S201 VanDerWaalsContact C-N 3.33Å; L199-S201 PolarHBondContact O-N 3.18Å; S201-A204 PolarHBondContact O-N 2.61Å; S201-Q205 WeakPolarHBondContact O-CG 3.29Å; S201-Q205 PolarHBondContact O-N 2.94Å |
| 202 | Q | 83.4 | Confident | 83.8 | Confident | 102 Ų | 102 | 88.8 Ų | 88.8 | 48% | 0.477 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.3 | -73 | 171.6 | -4.8 | 0 | 0 | 111.6 | P198 L199 A204 Q205 L206 | P198-Q202 WeakPolarHBondContact O-CG 3.49Å; P198-Q202 PolarHBondContact O-N 3Å; L199-Q202 PolarHBondContact O-N 2.68Å; Q202-A204 VanDerWaalsContact C-N 3.33Å; Q202-A204 PolarHBondContact O-N 3.08Å; Q202-Q205 PolarHBondContact O-N 3.48Å; Q202-L206 WeakPolarHBondContact O-CB 3.37Å; Q202-L206 VanDerWaalsContact O-CG 3.26Å; Q202-L206 WeakPolarHBondContact O-CG 3.42Å; Q202-L206 PolarHBondContact O-N 2.71Å |
| 203 | L | 81.4 | Confident | 83.9 | Confident | 129 Ų | 129 | 89.8 Ų | 89.8 | 68% | 0.675 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.4 | -36 | 175.9 | -72.3 | 171.7 | 0 | 0 | 0 | 112.6 | L199 G207 | L199-L203 WeakPolarHBondContact O-CG 3.38Å; L199-L203 PolarHBondContact O-N 3.22Å; L203-G207 PolarHBondContact O-N 3.26Å |
| 204 | A | 83.3 | Confident | 83.8 | Confident | 56 Ų | 56 | 90.2 Ų | 90.2 | 46% | 0.463 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.1 | -51.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R200 S201 Q202 L206 G207 E208 | R200-A204 PolarHBondContact O-N 3.46Å; R200-A204 VanDerWaalsContact O-N 3.16Å; S201-A204 PolarHBondContact O-N 2.61Å; Q202-A204 VanDerWaalsContact C-N 3.33Å; Q202-A204 PolarHBondContact O-N 3.08Å; A204-L206 PolarHBondContact O-N 3.38Å; A204-G207 WeakPolarHBondContact O-CA 3.2Å; A204-G207 PolarHBondContact O-N 2.85Å; A204-E208 PolarHBondContact O-N 3.48Å |
| 205 | Q | 85.3 | Confident | 84 | Confident | 107 Ų | 107 | 93.8 Ų | 93.8 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 179.6 | -71.9 | 171.2 | -7 | 0 | 0 | 112.6 | S201 Q202 G207 E208 Q209 | S201-Q205 WeakPolarHBondContact O-CG 3.29Å; S201-Q205 PolarHBondContact O-N 2.94Å; Q202-Q205 PolarHBondContact O-N 3.48Å; Q205-G207 VanDerWaalsContact C-N 3.28Å; Q205-G207 PolarHBondContact O-N 3.33Å; Q205-E208 PolarHBondContact O-N 3.35Å; Q205-Q209 WeakPolarHBondContact O-CB 3.38Å; Q205-Q209 VanDerWaalsContact O-CG 3.27Å; Q205-Q209 WeakPolarHBondContact O-CG 3.35Å; Q205-Q209 PolarHBondContact O-N 2.99Å |
| 206 | L | 82 | Confident | 84.3 | Confident | 104 Ų | 104 | 94.3 Ų | 94.3 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.9 | -30.1 | 175.1 | -70.4 | 169.9 | 0 | 0 | 0 | 112.2 | Q202 A204 R210 | Q202-L206 WeakPolarHBondContact O-CB 3.37Å; Q202-L206 VanDerWaalsContact O-CG 3.26Å; Q202-L206 WeakPolarHBondContact O-CG 3.42Å; Q202-L206 PolarHBondContact O-N 2.71Å; A204-L206 PolarHBondContact O-N 3.38Å; L206-R210 VanDerWaalsContact O-CB 3.25Å; L206-R210 WeakPolarHBondContact O-CB 3.41Å; L206-R210 PolarHBondContact O-N 3.49Å |
| 207 | G | 85 | Confident | 84.4 | Confident | 35 Ų | 35 | 97 Ų | 97 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -51.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L203 A204 Q205 R210 S211 | L203-G207 PolarHBondContact O-N 3.26Å; A204-G207 WeakPolarHBondContact O-CA 3.2Å; A204-G207 PolarHBondContact O-N 2.85Å; Q205-G207 VanDerWaalsContact C-N 3.28Å; Q205-G207 PolarHBondContact O-N 3.33Å; G207-R210 PolarHBondContact O-N 2.98Å; G207-S211 PolarHBondContact O-N 2.88Å; G207-S211 VanDerWaalsContact O-N 3.1Å; G207-S211 PolarHBondContact O-OG 2.83Å; G207-S211 VanDerWaalsContact O-OG 3.13Å |
| 208 | E | 85.5 | Confident | 84.5 | Confident | 137 Ų | 137 | 98.5 Ų | 98.5 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 178.8 | -68.5 | 177.4 | 160.7 | 0 | 0 | 112 | A204 Q205 R210 S211 Y212 | A204-E208 PolarHBondContact O-N 3.48Å; Q205-E208 PolarHBondContact O-N 3.35Å; E208-R210 VanDerWaalsContact C-N 3.32Å; E208-R210 PolarHBondContact O-N 3.31Å; E208-S211 WeakPolarHBondContact CA-OG 3.26Å; E208-S211 PolarHBondContact O-N 3.02Å; E208-S211 PolarHBondContact O-OG 2.8Å; E208-Y212 WeakPolarHBondContact O-CB 3.42Å; E208-Y212 PolarHBondContact O-N 3.44Å |
| 209 | Q | 84.1 | Confident | 84.7 | Confident | 113 Ų | 113 | 99 Ų | 99 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 175.1 | -73.7 | 174.1 | -1.1 | 0 | 0 | 112.1 | Q205 L213 | Q205-Q209 WeakPolarHBondContact O-CB 3.38Å; Q205-Q209 VanDerWaalsContact O-CG 3.27Å; Q205-Q209 WeakPolarHBondContact O-CG 3.35Å; Q205-Q209 PolarHBondContact O-N 2.99Å; Q209-L213 WeakPolarHBondContact O-CB 3.28Å; Q209-L213 VanDerWaalsContact O-CG 3.31Å; Q209-L213 WeakPolarHBondContact O-CG 3.4Å; Q209-L213 PolarHBondContact O-N 3.19Å |
| 210 | R | 85.4 | Confident | 84.8 | Confident | 197 Ų | 197 | 99.7 Ų | 99.7 | 74% | 0.743 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.4 | -35.9 | 178.9 | -166.2 | -167.8 | 72.8 | 171.8 | 2.7 | 112.5 | L206 G207 E208 A214 | L206-R210 VanDerWaalsContact O-CB 3.25Å; L206-R210 WeakPolarHBondContact O-CB 3.41Å; L206-R210 PolarHBondContact O-N 3.49Å; G207-R210 PolarHBondContact O-N 2.98Å; E208-R210 VanDerWaalsContact C-N 3.32Å; E208-R210 PolarHBondContact O-N 3.31Å; R210-A214 WeakPolarHBondContact O-CB 3.31Å; R210-A214 PolarHBondContact O-N 3.49Å |
| 211 | S | 85.3 | Confident | 85 | Confident | 59 Ų | 59 | 99.2 Ų | 99.2 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68 | -47.5 | 173.5 | 35.7 | 0 | 0 | 0 | 0 | 111.4 | G207 E208 L213 A214 E215 | G207-S211 PolarHBondContact O-N 2.88Å; G207-S211 VanDerWaalsContact O-N 3.1Å; G207-S211 PolarHBondContact O-OG 2.83Å; G207-S211 VanDerWaalsContact O-OG 3.13Å; E208-S211 WeakPolarHBondContact CA-OG 3.26Å; E208-S211 PolarHBondContact O-N 3.02Å; E208-S211 PolarHBondContact O-OG 2.8Å; S211-L213 PolarHBondContact O-N 3.04Å; S211-A214 WeakPolarHBondContact O-CB 3.37Å; S211-A214 PolarHBondContact O-N 3.1Å; S211-A214 VanDerWaalsContact O-N 3.14Å; S211-E215 PolarHBondContact O-N 2.84Å; S211-E215 VanDerWaalsContact O-N 3.1Å |
| 212 | Y | 88.8 | Confident | 85.1 | Confident | 138 Ų | 138 | 100.9 Ų | 100.9 | 54% | 0.541 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 179 | -178.5 | -94.7 | 0 | 0 | 0 | 112.3 | E208 A214 E215 E216 | E208-Y212 WeakPolarHBondContact O-CB 3.42Å; E208-Y212 PolarHBondContact O-N 3.44Å; Y212-A214 VanDerWaalsContact C-N 3.28Å; Y212-A214 PolarHBondContact O-N 2.88Å; Y212-E215 PolarHBondContact O-N 2.71Å; Y212-E216 HydrophobicContact CD1-CG 4.34Å; Y212-E216 HydrophobicContact CE1-CG 3.87Å; Y212-E216 VanDerWaalsContact CE1-OE1 3.23Å; Y212-E216 WeakPolarHBondContact CE1-OE1 3.48Å; Y212-E216 VanDerWaalsContact CE1-OE2 3.27Å; Y212-E216 WeakPolarHBondContact CE1-OE2 3.39Å; Y212-E216 VanDerWaalsContact CZ-OE1 3.23Å; Y212-E216 PolarHBondContact O-N 2.96Å; Y212-E216 PolarHBondContact OH-OE1 2.71Å |
| 213 | L | 83.1 | Confident | 85.2 | Confident | 99 Ų | 99 | 102.2 Ų | 102.2 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -27 | 179.2 | -70.7 | 170.3 | 0 | 0 | 0 | 113.6 | Q209 S211 L217 | Q209-L213 WeakPolarHBondContact O-CB 3.28Å; Q209-L213 VanDerWaalsContact O-CG 3.31Å; Q209-L213 WeakPolarHBondContact O-CG 3.4Å; Q209-L213 PolarHBondContact O-N 3.19Å; S211-L213 PolarHBondContact O-N 3.04Å; L213-L217 WeakPolarHBondContact O-CB 3.14Å; L213-L217 WeakPolarHBondContact O-CD1 3.47Å; L213-L217 VanDerWaalsContact O-CG 3.28Å; L213-L217 WeakPolarHBondContact O-CG 3.36Å; L213-L217 PolarHBondContact O-N 2.9Å; L213-L217 VanDerWaalsContact O-N 3.13Å |
| 214 | A | 82.6 | Confident | 85.3 | Confident | 51 Ų | 51 | 101.7 Ų | 101.7 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.8 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R210 S211 Y212 L217 D218 | R210-A214 WeakPolarHBondContact O-CB 3.31Å; R210-A214 PolarHBondContact O-N 3.49Å; S211-A214 WeakPolarHBondContact O-CB 3.37Å; S211-A214 PolarHBondContact O-N 3.1Å; S211-A214 VanDerWaalsContact O-N 3.14Å; Y212-A214 VanDerWaalsContact C-N 3.28Å; Y212-A214 PolarHBondContact O-N 2.88Å; A214-L217 PolarHBondContact O-N 3.19Å; A214-D218 PolarHBondContact O-N 3.37Å |
| 215 | E | 87.8 | Confident | 85.4 | Confident | 135 Ų | 135 | 104.8 Ų | 104.8 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 176.7 | -69.3 | 174.5 | -162.4 | 0 | 0 | 111.6 | S211 Y212 L217 D218 V219 | S211-E215 PolarHBondContact O-N 2.84Å; S211-E215 VanDerWaalsContact O-N 3.1Å; Y212-E215 PolarHBondContact O-N 2.71Å; E215-L217 PolarHBondContact O-N 3.18Å; E215-D218 PolarHBondContact O-N 3.5Å; E215-V219 WeakPolarHBondContact O-CG2 3.42Å; E215-V219 PolarHBondContact O-N 2.82Å; E215-V219 VanDerWaalsContact O-N 3.09Å |
| 216 | E | 86.9 | Confident | 85.7 | Confident | 70 Ų | 70 | 105.3 Ų | 105.3 | 33% | 0.327 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -47 | 173.1 | -75.1 | -167.3 | 140.6 | 0 | 0 | 112.2 | Y212 D218 V219 H220 | Y212-E216 HydrophobicContact CD1-CG 4.34Å; Y212-E216 HydrophobicContact CE1-CG 3.87Å; Y212-E216 VanDerWaalsContact CE1-OE1 3.23Å; Y212-E216 WeakPolarHBondContact CE1-OE1 3.48Å; Y212-E216 VanDerWaalsContact CE1-OE2 3.27Å; Y212-E216 WeakPolarHBondContact CE1-OE2 3.39Å; Y212-E216 VanDerWaalsContact CZ-OE1 3.23Å; Y212-E216 PolarHBondContact O-N 2.96Å; Y212-E216 PolarHBondContact OH-OE1 2.71Å; E216-D218 VanDerWaalsContact C-N 3.35Å; E216-D218 PolarHBondContact O-N 3.21Å; E216-V219 PolarHBondContact O-N 2.91Å; E216-H220 WeakPolarHBondContact O-CB 3.28Å; E216-H220 PolarHBondContact O-CD2 3.47Å; E216-H220 PolarHBondContact O-N 3.32Å |
| 217 | L | 85.4 | Confident | 85.9 | Confident | 92 Ų | 92 | 105.8 Ų | 105.8 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | -178.4 | -85.1 | 169.7 | 0 | 0 | 0 | 112.7 | L213 A214 E215 H220 R221 | L213-L217 WeakPolarHBondContact O-CB 3.14Å; L213-L217 WeakPolarHBondContact O-CD1 3.47Å; L213-L217 VanDerWaalsContact O-CG 3.28Å; L213-L217 WeakPolarHBondContact O-CG 3.36Å; L213-L217 PolarHBondContact O-N 2.9Å; L213-L217 VanDerWaalsContact O-N 3.13Å; A214-L217 PolarHBondContact O-N 3.19Å; E215-L217 PolarHBondContact O-N 3.18Å; L217-H220 PolarHBondContact O-N 2.85Å; L217-R221 WeakPolarHBondContact O-CB 3.31Å; L217-R221 WeakPolarHBondContact O-CD 3.33Å; L217-R221 WeakPolarHBondContact O-CG 3.49Å; L217-R221 PolarHBondContact O-N 3.49Å |
| 218 | D | 85.9 | Confident | 85.9 | Confident | 81 Ų | 81 | 108.3 Ų | 108.3 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74.5 | -33.7 | 179.2 | -76.8 | -22.4 | 0 | 0 | 0 | 112.6 | A214 E215 E216 H220 R221 N222 | A214-D218 PolarHBondContact O-N 3.37Å; E215-D218 PolarHBondContact O-N 3.5Å; E216-D218 VanDerWaalsContact C-N 3.35Å; E216-D218 PolarHBondContact O-N 3.21Å; D218-H220 VanDerWaalsContact C-N 3.35Å; D218-R221 PolarHBondContact O-N 2.99Å; D218-R221 WeakPolarHBondContact OD1-CD 3.37Å; D218-R221 IonicContact OD1-CZ 2.72Å; D218-R221 IonicContact OD1-NE 2.82Å; D218-R221 IonicContact OD1-NH1 3.9Å; D218-R221 PolarHBondContact OD1-NH1 3.43Å; D218-N222 WeakPolarHBondContact O-CB 3.17Å; D218-N222 VanDerWaalsContact O-CG 3.28Å; D218-N222 PolarHBondContact O-N 3.14Å; D218-N222 VanDerWaalsContact O-N 3.07Å; D218-N222 PolarHBondContact O-ND2 2.95Å |
| 219 | V | 89.2 | Confident | 86 | Confident | 70 Ų | 70 | 107 Ų | 107 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 168.2 | 169 | 0 | 0 | 0 | 0 | 111.2 | E215 E216 K223 | E215-V219 WeakPolarHBondContact O-CG2 3.42Å; E215-V219 PolarHBondContact O-N 2.82Å; E215-V219 VanDerWaalsContact O-N 3.09Å; E216-V219 PolarHBondContact O-N 2.91Å; V219-K223 HydrophobicContact CG1-CD 4.04Å; V219-K223 VanDerWaalsContact O-CG 3.32Å; V219-K223 WeakPolarHBondContact O-CG 3.4Å; V219-K223 PolarHBondContact O-N 3.44Å; V219-K223 VanDerWaalsContact O-N 3.11Å |
| 220 | H | 82.8 | Confident | 86 | Confident | 117 Ų | 117 | 104.3 Ų | 104.3 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 177.7 | -84.1 | -74.4 | 0 | 0 | 0 | 112.9 | E216 L217 D218 N222 K223 M224 | E216-H220 WeakPolarHBondContact O-CB 3.28Å; E216-H220 PolarHBondContact O-CD2 3.47Å; E216-H220 PolarHBondContact O-N 3.32Å; L217-H220 PolarHBondContact O-N 2.85Å; D218-H220 VanDerWaalsContact C-N 3.35Å; H220-N222 VanDerWaalsContact C-N 3.32Å; H220-N222 PolarHBondContact O-N 2.86Å; H220-K223 PolarHBondContact O-N 2.81Å; H220-M224 WeakPolarHBondContact O-CB 3.44Å; H220-M224 PolarHBondContact O-N 3.33Å |
| 221 | R | 87.9 | Confident | 86 | Confident | 137 Ų | 137 | 101.3 Ų | 101.3 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 174.6 | -76.5 | 160.4 | 175.4 | 163.7 | 1.3 | 112 | L217 D218 M224 K225 | L217-R221 WeakPolarHBondContact O-CB 3.31Å; L217-R221 WeakPolarHBondContact O-CD 3.33Å; L217-R221 WeakPolarHBondContact O-CG 3.49Å; L217-R221 PolarHBondContact O-N 3.49Å; D218-R221 PolarHBondContact O-N 2.99Å; D218-R221 WeakPolarHBondContact OD1-CD 3.37Å; D218-R221 IonicContact OD1-CZ 2.72Å; D218-R221 IonicContact OD1-NE 2.82Å; D218-R221 IonicContact OD1-NH1 3.9Å; D218-R221 PolarHBondContact OD1-NH1 3.43Å; R221-M224 PolarHBondContact O-N 2.83Å; R221-K225 WeakPolarHBondContact O-CG 3.49Å; R221-K225 PolarHBondContact O-N 3.2Å |
| 222 | N | 86.1 | Confident | 86.1 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | -178.5 | -68.8 | -25.7 | 0 | 0 | 0 | 112.2 | D218 H220 M224 L226 | D218-N222 WeakPolarHBondContact O-CB 3.17Å; D218-N222 VanDerWaalsContact O-CG 3.28Å; D218-N222 PolarHBondContact O-N 3.14Å; D218-N222 VanDerWaalsContact O-N 3.07Å; D218-N222 PolarHBondContact O-ND2 2.95Å; H220-N222 VanDerWaalsContact C-N 3.32Å; H220-N222 PolarHBondContact O-N 2.86Å; N222-M224 VanDerWaalsContact C-N 3.34Å; N222-M224 PolarHBondContact O-N 2.93Å; N222-L226 PolarHBondContact O-N 3.46Å |
| 223 | K | 85.9 | Confident | 85.9 | Confident | 130 Ų | 130 | 102.1 Ų | 102.1 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.5 | -41.6 | 171.7 | -73.6 | 169.5 | -179.9 | 171.8 | 0 | 112.3 | V219 H220 L227 | V219-K223 HydrophobicContact CG1-CD 4.04Å; V219-K223 VanDerWaalsContact O-CG 3.32Å; V219-K223 WeakPolarHBondContact O-CG 3.4Å; V219-K223 PolarHBondContact O-N 3.44Å; V219-K223 VanDerWaalsContact O-N 3.11Å; H220-K223 PolarHBondContact O-N 2.81Å; K223-L227 WeakPolarHBondContact O-CB 3.34Å; K223-L227 PolarHBondContact O-N 3.37Å; K223-L227 VanDerWaalsContact O-N 3.16Å |
| 224 | M | 83.6 | Confident | 85.9 | Confident | 118 Ų | 118 | 102.1 Ų | 102.1 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | -177.9 | -167.3 | 67.9 | 173.5 | 0 | 0 | 112.7 | H220 R221 N222 L227 M228 | H220-M224 WeakPolarHBondContact O-CB 3.44Å; H220-M224 PolarHBondContact O-N 3.33Å; R221-M224 PolarHBondContact O-N 2.83Å; N222-M224 VanDerWaalsContact C-N 3.34Å; N222-M224 PolarHBondContact O-N 2.93Å; M224-L227 PolarHBondContact O-N 2.77Å; M224-M228 WeakPolarHBondContact O-CB 3.23Å; M224-M228 WeakPolarHBondContact O-CG 3.47Å; M224-M228 PolarHBondContact O-N 3.17Å |
| 225 | K | 85.9 | Confident | 86 | Confident | 122 Ų | 122 | 107.3 Ų | 107.3 | 53% | 0.53 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -55.1 | 177 | -72.9 | 173.3 | 178.2 | 177.5 | 0 | 112 | R221 L227 M228 E229 | R221-K225 WeakPolarHBondContact O-CG 3.49Å; R221-K225 PolarHBondContact O-N 3.2Å; K225-L227 VanDerWaalsContact C-N 3.25Å; K225-L227 PolarHBondContact O-N 2.88Å; K225-M228 WeakPolarHBondContact O-CB 3.41Å; K225-M228 PolarHBondContact O-N 3.45Å; K225-M228 VanDerWaalsContact O-N 3.1Å; K225-E229 WeakPolarHBondContact O-CG 3.04Å; K225-E229 PolarHBondContact O-N 3.47Å |
| 226 | L | 89.6 | Confident | 85.9 | Confident | 117 Ų | 117 | 107.9 Ų | 107.9 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.1 | -36.6 | -179.6 | -64.9 | 169.8 | 0 | 0 | 0 | 112.3 | N222 S230 | N222-L226 PolarHBondContact O-N 3.46Å; L226-S230 PolarHBondContact O-N 3.23Å; L226-S230 VanDerWaalsContact O-N 3.14Å; L226-S230 PolarHBondContact O-OG 2.93Å |
| 227 | L | 87.9 | Confident | 85.8 | Confident | 115 Ų | 115 | 109.7 Ų | 109.7 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.7 | -40.4 | 176.9 | -171.2 | 65.1 | 0 | 0 | 0 | 112.3 | K223 M224 K225 S230 Y231 | K223-L227 WeakPolarHBondContact O-CB 3.34Å; K223-L227 PolarHBondContact O-N 3.37Å; K223-L227 VanDerWaalsContact O-N 3.16Å; M224-L227 PolarHBondContact O-N 2.77Å; K225-L227 VanDerWaalsContact C-N 3.25Å; K225-L227 PolarHBondContact O-N 2.88Å; L227-S230 PolarHBondContact O-OG 3.12Å; L227-S230 VanDerWaalsContact O-OG 3.14Å; L227-Y231 VanDerWaalsContact O-CB 3.24Å; L227-Y231 WeakPolarHBondContact O-CB 3.41Å; L227-Y231 PolarHBondContact O-N 2.9Å |
| 228 | M | 83.7 | Confident | 85.7 | Confident | 88 Ų | 88 | 112.4 Ų | 112.4 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 174.5 | -78.2 | -68.1 | -58.4 | 0 | 0 | 111.8 | M224 K225 Y231 E232 | M224-M228 WeakPolarHBondContact O-CB 3.23Å; M224-M228 WeakPolarHBondContact O-CG 3.47Å; M224-M228 PolarHBondContact O-N 3.17Å; K225-M228 WeakPolarHBondContact O-CB 3.41Å; K225-M228 PolarHBondContact O-N 3.45Å; K225-M228 VanDerWaalsContact O-N 3.1Å; M228-Y231 PolarHBondContact O-N 3.27Å; M228-E232 PolarHBondContact O-N 3.16Å |
| 229 | E | 87.4 | Confident | 85.4 | Confident | 109 Ų | 109 | 111.1 Ų | 111.1 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.3 | -53.7 | 179.4 | -71.8 | 157.4 | -173.5 | 0 | 0 | 110.7 | K225 Y231 E232 E233 | K225-E229 WeakPolarHBondContact O-CG 3.04Å; K225-E229 PolarHBondContact O-N 3.47Å; E229-Y231 PolarHBondContact O-N 2.86Å; E229-E232 PolarHBondContact O-N 2.89Å; E229-E233 PolarHBondContact O-N 2.91Å |
| 230 | S | 85 | Confident | 85.2 | Confident | 57 Ų | 57 | 113.8 Ų | 113.8 | 40% | 0.399 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -35 | 178.1 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | L226 L227 E234 | L226-S230 PolarHBondContact O-N 3.23Å; L226-S230 VanDerWaalsContact O-N 3.14Å; L226-S230 PolarHBondContact O-OG 2.93Å; L227-S230 PolarHBondContact O-OG 3.12Å; L227-S230 VanDerWaalsContact O-OG 3.14Å; S230-E234 PolarHBondContact O-N 2.98Å; S230-E234 VanDerWaalsContact O-N 3.12Å |
| 231 | Y | 86.3 | Confident | 85.1 | Confident | 133 Ų | 133 | 114 Ų | 114 | 52% | 0.522 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 176.6 | 170.9 | -109.1 | 0 | 0 | 0 | 112.7 | L227 M228 E229 E233 R235 | L227-Y231 VanDerWaalsContact O-CB 3.24Å; L227-Y231 WeakPolarHBondContact O-CB 3.41Å; L227-Y231 PolarHBondContact O-N 2.9Å; M228-Y231 PolarHBondContact O-N 3.27Å; E229-Y231 PolarHBondContact O-N 2.86Å; Y231-E233 VanDerWaalsContact C-N 3.34Å; Y231-R235 WeakPolarHBondContact O-CB 3.3Å; Y231-R235 PolarHBondContact O-N 2.83Å |
| 232 | E | 86.3 | Confident | 84.8 | Confident | 83 Ų | 83 | 112.9 Ų | 112.9 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 176.8 | -76.4 | -165 | -152.4 | 0 | 0 | 112.6 | M228 E229 R236 | M228-E232 PolarHBondContact O-N 3.16Å; E229-E232 PolarHBondContact O-N 2.89Å; E232-R236 WeakPolarHBondContact O-CD 3.39Å; E232-R236 WeakPolarHBondContact O-CG 3.23Å; E232-R236 PolarHBondContact O-N 3.44Å; E232-R236 VanDerWaalsContact O-N 3.16Å; E232-R236 IonicContact OE2-CZ 3.72Å; E232-R236 IonicContact OE2-NH2 4Å; E232-R236 PolarHBondContact OE2-NH2 3.41Å |
| 233 | E | 84 | Confident | 84.6 | Confident | 131 Ų | 131 | 112.8 Ų | 112.8 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.6 | -52.1 | 175.7 | -68.1 | -178.8 | 162.6 | 0 | 0 | 111.9 | E229 Y231 R235 R236 L237 | E229-E233 PolarHBondContact O-N 2.91Å; Y231-E233 VanDerWaalsContact C-N 3.34Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 3.29Å; E233-R236 PolarHBondContact O-N 2.82Å; E233-L237 WeakPolarHBondContact O-CG 3.48Å; E233-L237 PolarHBondContact O-N 2.82Å; E233-L237 VanDerWaalsContact O-N 3.12Å |
| 234 | E | 83.3 | Confident | 84.3 | Confident | 100 Ų | 100 | 115.3 Ų | 115.3 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -54 | -45.1 | 174.1 | -96.5 | -90.2 | 164.7 | 0 | 0 | 111.9 | S230 R236 L237 R238 | S230-E234 PolarHBondContact O-N 2.98Å; S230-E234 VanDerWaalsContact O-N 3.12Å; E234-R236 PolarHBondContact O-N 3.37Å; E234-L237 PolarHBondContact O-N 3.28Å; E234-R238 WeakPolarHBondContact O-CG 3.38Å; E234-R238 PolarHBondContact O-N 3.06Å; E234-R238 IonicContact OE1-NH2 2.7Å; E234-R238 IonicContact OE2-CZ 3.31Å; E234-R238 IonicContact OE2-NE 2.99Å; E234-R238 PolarHBondContact OE2-NE 2.99Å; E234-R238 IonicContact OE2-NH2 3.62Å; E234-R238 PolarHBondContact OE2-NH2 3.06Å |
| 235 | R | 85.1 | Confident | 84 | Confident | 160 Ų | 160 | 113.3 Ų | 113.3 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | -178 | -176.1 | 178.2 | 179.5 | -169 | 0.6 | 112.5 | Y231 E233 S239 | Y231-R235 WeakPolarHBondContact O-CB 3.3Å; Y231-R235 PolarHBondContact O-N 2.83Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 3.29Å; R235-S239 WeakPolarHBondContact O-CB 3.33Å; R235-S239 PolarHBondContact O-N 2.86Å; R235-S239 PolarHBondContact O-OG 3.35Å |
| 236 | R | 85.8 | Confident | 83.7 | Confident | 147 Ų | 147 | 113 Ų | 113 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.9 | -54.4 | 176.6 | -70.6 | 167.7 | -159.6 | -162.9 | 8.4 | 109.8 | E232 E233 E234 R238 S239 E240 | E232-R236 WeakPolarHBondContact O-CD 3.39Å; E232-R236 WeakPolarHBondContact O-CG 3.23Å; E232-R236 PolarHBondContact O-N 3.44Å; E232-R236 VanDerWaalsContact O-N 3.16Å; E232-R236 IonicContact OE2-CZ 3.72Å; E232-R236 IonicContact OE2-NH2 4Å; E232-R236 PolarHBondContact OE2-NH2 3.41Å; E233-R236 PolarHBondContact O-N 2.82Å; E234-R236 PolarHBondContact O-N 3.37Å; R236-R238 PolarHBondContact O-N 2.66Å; R236-S239 PolarHBondContact O-N 3.08Å; R236-S239 VanDerWaalsContact O-N 3.12Å; R236-S239 PolarHBondContact O-OG 3.3Å; R236-E240 PolarHBondContact O-N 3.3Å; R236-E240 VanDerWaalsContact O-N 3.11Å |
| 237 | L | 84.9 | Confident | 83.2 | Confident | 107 Ų | 107 | 114.6 Ų | 114.6 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56.9 | -43.6 | -178.1 | -69.3 | 169.3 | 0 | 0 | 0 | 113.3 | E233 E234 L241 | E233-L237 WeakPolarHBondContact O-CG 3.48Å; E233-L237 PolarHBondContact O-N 2.82Å; E233-L237 VanDerWaalsContact O-N 3.12Å; E234-L237 PolarHBondContact O-N 3.28Å; L237-L241 WeakPolarHBondContact O-CG 3.24Å; L237-L241 PolarHBondContact O-N 3.29Å |
| 238 | R | 82.5 | Confident | 82.6 | Confident | 149 Ų | 149 | 113.4 Ų | 113.4 | 56% | 0.562 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.2 | -46.6 | 175.5 | -70.5 | -176 | -166.7 | -147.4 | 2.1 | 112.4 | E234 R236 E240 L241 E242 | E234-R238 WeakPolarHBondContact O-CG 3.38Å; E234-R238 PolarHBondContact O-N 3.06Å; E234-R238 IonicContact OE1-NH2 2.7Å; E234-R238 IonicContact OE2-CZ 3.31Å; E234-R238 IonicContact OE2-NE 2.99Å; E234-R238 PolarHBondContact OE2-NE 2.99Å; E234-R238 IonicContact OE2-NH2 3.62Å; E234-R238 PolarHBondContact OE2-NH2 3.06Å; R236-R238 PolarHBondContact O-N 2.66Å; R238-E240 VanDerWaalsContact C-N 3.3Å; R238-E240 PolarHBondContact O-N 3.49Å; R238-L241 PolarHBondContact O-N 3.41Å; R238-E242 WeakPolarHBondContact O-CG 3.41Å; R238-E242 PolarHBondContact O-N 2.89Å |
| 239 | S | 79.9 | Confident | 82.4 | Confident | 54 Ų | 54 | 113.7 Ų | 113.7 | 38% | 0.378 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | -177.3 | 70.2 | 0 | 0 | 0 | 0 | 112.9 | R235 R236 L243 | R235-S239 WeakPolarHBondContact O-CB 3.33Å; R235-S239 PolarHBondContact O-N 2.86Å; R235-S239 PolarHBondContact O-OG 3.35Å; R236-S239 PolarHBondContact O-N 3.08Å; R236-S239 VanDerWaalsContact O-N 3.12Å; R236-S239 PolarHBondContact O-OG 3.3Å; S239-L243 WeakPolarHBondContact O-CB 3.4Å; S239-L243 WeakPolarHBondContact O-CD1 3.45Å; S239-L243 VanDerWaalsContact O-CG 3.26Å; S239-L243 WeakPolarHBondContact O-CG 3.26Å; S239-L243 PolarHBondContact O-N 3.32Å |
| 240 | E | 85.8 | Confident | 82 | Confident | 127 Ų | 127 | 113.9 Ų | 113.9 | 59% | 0.593 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.3 | -38.6 | 176 | -69.4 | 175.5 | -158.2 | 0 | 0 | 112.4 | R236 R238 R244 | R236-E240 PolarHBondContact O-N 3.3Å; R236-E240 VanDerWaalsContact O-N 3.11Å; R238-E240 VanDerWaalsContact C-N 3.3Å; R238-E240 PolarHBondContact O-N 3.49Å; E240-R244 VanDerWaalsContact O-CB 3.27Å; E240-R244 WeakPolarHBondContact O-CB 3.39Å; E240-R244 PolarHBondContact O-N 2.91Å |
| 241 | L | 80.1 | Confident | 81.5 | Confident | 121 Ų | 121 | 116.2 Ų | 116.2 | 63% | 0.634 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.1 | -43.4 | 179 | -70.8 | 170.6 | 0 | 0 | 0 | 112.7 | L237 R238 R244 S245 | L237-L241 WeakPolarHBondContact O-CG 3.24Å; L237-L241 PolarHBondContact O-N 3.29Å; R238-L241 PolarHBondContact O-N 3.41Å; L241-R244 PolarHBondContact O-N 3.19Å; L241-S245 WeakPolarHBondContact O-CB 3.27Å; L241-S245 PolarHBondContact O-N 3.2Å |
| 242 | E | 82.2 | Confident | 80.9 | Confident | 114 Ų | 114 | 114.6 Ų | 114.6 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 179.3 | -73.8 | 176.1 | -170 | 0 | 0 | 111.5 | R238 R244 S245 Q246 | R238-E242 WeakPolarHBondContact O-CG 3.41Å; R238-E242 PolarHBondContact O-N 2.89Å; E242-R244 PolarHBondContact O-N 3.42Å; E242-S245 PolarHBondContact O-N 3.03Å; E242-Q246 WeakPolarHBondContact O-CG 3.3Å; E242-Q246 PolarHBondContact O-N 3.43Å |
| 243 | L | 81.8 | Confident | 80.5 | Confident | 87 Ų | 87 | 113.2 Ų | 113.2 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.5 | -36.2 | 177.1 | -73.4 | 172.6 | 0 | 0 | 0 | 112.4 | S239 R247 | S239-L243 WeakPolarHBondContact O-CB 3.4Å; S239-L243 WeakPolarHBondContact O-CD1 3.45Å; S239-L243 VanDerWaalsContact O-CG 3.26Å; S239-L243 WeakPolarHBondContact O-CG 3.26Å; S239-L243 PolarHBondContact O-N 3.32Å; L243-R247 WeakPolarHBondContact O-CD 3.48Å; L243-R247 VanDerWaalsContact O-CG 3.25Å; L243-R247 WeakPolarHBondContact O-CG 3.2Å; L243-R247 PolarHBondContact O-N 3.02Å |
| 244 | R | 80.3 | Confident | 79.8 | Confident | 183 Ų | 183 | 111.2 Ų | 111.2 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.4 | -38.1 | 179.3 | -166.7 | 172.7 | -170.4 | 167.6 | 2.6 | 112.4 | E240 L241 E242 L248 | E240-R244 VanDerWaalsContact O-CB 3.27Å; E240-R244 WeakPolarHBondContact O-CB 3.39Å; E240-R244 PolarHBondContact O-N 2.91Å; L241-R244 PolarHBondContact O-N 3.19Å; E242-R244 PolarHBondContact O-N 3.42Å; R244-L248 HydrophobicContact CG-CD1 4.2Å; R244-L248 WeakPolarHBondContact O-CD1 3.16Å; R244-L248 WeakPolarHBondContact O-CG 3.44Å; R244-L248 PolarHBondContact O-N 3.34Å |
| 245 | S | 75.6 | Confident | 78.8 | Confident | 75 Ų | 75 | 108.6 Ų | 108.6 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -43.6 | 177.9 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | L241 E242 T249 | L241-S245 WeakPolarHBondContact O-CB 3.27Å; L241-S245 PolarHBondContact O-N 3.2Å; E242-S245 PolarHBondContact O-N 3.03Å; S245-T249 WeakPolarHBondContact O-CB 3.43Å; S245-T249 PolarHBondContact O-N 3.43Å; S245-T249 PolarHBondContact O-OG1 3.36Å |
| 246 | Q | 80.1 | Confident | 78.1 | Confident | 116 Ų | 116 | 106.9 Ų | 106.9 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | -178.6 | -69 | 171.8 | 13.7 | 0 | 0 | 112.1 | E242 T249 L250 | E242-Q246 WeakPolarHBondContact O-CG 3.3Å; E242-Q246 PolarHBondContact O-N 3.43Å; Q246-T249 PolarHBondContact O-N 2.94Å; Q246-L250 PolarHBondContact O-N 2.6Å |
| 247 | R | 79.4 | Confident | 77.3 | Confident | 150 Ų | 150 | 105 Ų | 105 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58 | -53.6 | 178.8 | -70.7 | 174.1 | -162.4 | -172 | 4.4 | 112.3 | L243 T249 L250 E251 | L243-R247 WeakPolarHBondContact O-CD 3.48Å; L243-R247 VanDerWaalsContact O-CG 3.25Å; L243-R247 WeakPolarHBondContact O-CG 3.2Å; L243-R247 PolarHBondContact O-N 3.02Å; R247-T249 PolarHBondContact O-N 2.85Å; R247-T249 VanDerWaalsContact O-N 3.15Å; R247-L250 PolarHBondContact O-N 3.18Å; R247-L250 VanDerWaalsContact O-N 3.15Å; R247-E251 WeakPolarHBondContact O-CB 3.37Å; R247-E251 VanDerWaalsContact O-CG 3.3Å; R247-E251 WeakPolarHBondContact O-CG 3.4Å; R247-E251 PolarHBondContact O-N 2.94Å |
| 248 | L | 74.9 | Confident | 76.1 | Confident | 91 Ų | 91 | 101.3 Ų | 101.3 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -27.4 | -179.5 | -70.2 | 172.6 | 0 | 0 | 0 | 113.2 | R244 L252 | R244-L248 HydrophobicContact CG-CD1 4.2Å; R244-L248 WeakPolarHBondContact O-CD1 3.16Å; R244-L248 WeakPolarHBondContact O-CG 3.44Å; R244-L248 PolarHBondContact O-N 3.34Å; L248-L252 VanDerWaalsContact O-CB 3.32Å; L248-L252 WeakPolarHBondContact O-CB 3.4Å; L248-L252 WeakPolarHBondContact O-CD1 3.25Å; L248-L252 WeakPolarHBondContact O-CG 3.41Å; L248-L252 PolarHBondContact O-N 3.38Å |
| 249 | T | 80.4 | Confident | 75 | Confident | 94 Ų | 94 | 100.2 Ų | 100.2 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.7 | -42.6 | 177.4 | -56 | 0 | 0 | 0 | 0 | 111.8 | S245 Q246 R247 A253 | S245-T249 WeakPolarHBondContact O-CB 3.43Å; S245-T249 PolarHBondContact O-N 3.43Å; S245-T249 PolarHBondContact O-OG1 3.36Å; Q246-T249 PolarHBondContact O-N 2.94Å; R247-T249 PolarHBondContact O-N 2.85Å; R247-T249 VanDerWaalsContact O-N 3.15Å; T249-A253 PolarHBondContact O-N 2.87Å |
| 250 | L | 77.9 | Confident | 74.1 | Confident | 112 Ų | 112 | 105.6 Ų | 105.6 | 59% | 0.586 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.4 | -47.9 | 178 | -66.8 | 170.7 | 0 | 0 | 0 | 111.5 | Q246 R247 L252 A253 D254 | Q246-L250 PolarHBondContact O-N 2.6Å; R247-L250 PolarHBondContact O-N 3.18Å; R247-L250 VanDerWaalsContact O-N 3.15Å; L250-L252 PolarHBondContact O-N 2.87Å; L250-A253 WeakPolarHBondContact O-CB 3.37Å; L250-A253 PolarHBondContact O-N 2.85Å; L250-D254 PolarHBondContact O-N 3.02Å |
| 251 | E | 74.7 | Confident | 72.8 | Confident | 106 Ų | 106 | 105.4 Ų | 105.4 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.5 | -38.2 | 177.8 | -70.9 | 166.3 | -159.8 | 0 | 0 | 111.9 | R247 A253 T255 | R247-E251 WeakPolarHBondContact O-CB 3.37Å; R247-E251 VanDerWaalsContact O-CG 3.3Å; R247-E251 WeakPolarHBondContact O-CG 3.4Å; R247-E251 PolarHBondContact O-N 2.94Å; E251-A253 VanDerWaalsContact C-N 3.35Å; E251-T255 WeakPolarHBondContact O-CB 3.4Å; E251-T255 VanDerWaalsContact O-CG2 3.23Å; E251-T255 WeakPolarHBondContact O-CG2 3.25Å; E251-T255 PolarHBondContact O-N 2.72Å; E251-T255 PolarHBondContact O-OG1 3.14Å |
| 252 | L | 73.3 | Confident | 71.8 | Confident | 100 Ų | 100 | 102.6 Ų | 102.6 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -76.8 | -12.1 | 176.3 | -85.1 | 171.7 | 0 | 0 | 0 | 115.3 | L248 L250 K256 | L248-L252 VanDerWaalsContact O-CB 3.32Å; L248-L252 WeakPolarHBondContact O-CB 3.4Å; L248-L252 WeakPolarHBondContact O-CD1 3.25Å; L248-L252 WeakPolarHBondContact O-CG 3.41Å; L248-L252 PolarHBondContact O-N 3.38Å; L250-L252 PolarHBondContact O-N 2.87Å; L252-K256 WeakPolarHBondContact O-CD 3.46Å; L252-K256 WeakPolarHBondContact O-CE 3.4Å; L252-K256 VanDerWaalsContact O-CG 3.31Å; L252-K256 WeakPolarHBondContact O-CG 3.29Å; L252-K256 PolarHBondContact O-NZ 2.7Å |
| 253 | A | 77.8 | Confident | 70.7 | Confident | 53 Ų | 53 | 100.6 Ų | 100.6 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -89 | -56.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | T249 L250 E251 T255 K256 Q257 | T249-A253 PolarHBondContact O-N 2.87Å; L250-A253 WeakPolarHBondContact O-CB 3.37Å; L250-A253 PolarHBondContact O-N 2.85Å; E251-A253 VanDerWaalsContact C-N 3.35Å; A253-T255 PolarHBondContact O-N 3.11Å; A253-K256 PolarHBondContact O-N 2.85Å; A253-K256 VanDerWaalsContact O-N 3.1Å; A253-Q257 PolarHBondContact O-N 3.37Å; A253-Q257 VanDerWaalsContact O-N 3.12Å |
| 254 | D | 70.1 | Confident | 69.7 | Low | 89 Ų | 89 | 100.5 Ų | 100.5 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | -173.9 | -63.8 | -24.7 | 0 | 0 | 0 | 111.8 | L250 K256 Q257 N258 | L250-D254 PolarHBondContact O-N 3.02Å; D254-K256 VanDerWaalsContact C-N 3.31Å; D254-K256 PolarHBondContact O-N 2.91Å; D254-Q257 PolarHBondContact O-N 2.94Å; D254-N258 VanDerWaalsContact O-CB 3.26Å; D254-N258 WeakPolarHBondContact O-CB 3.27Å; D254-N258 PolarHBondContact O-N 3.13Å; D254-N258 PolarHBondContact O-ND2 2.84Å |
| 255 | T | 62.3 | Low | 68.8 | Low | 45 Ų | 45 | 103 Ų | 103 | 28% | 0.276 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 175.6 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | E251 A253 I259 Y264 | E251-T255 WeakPolarHBondContact O-CB 3.4Å; E251-T255 VanDerWaalsContact O-CG2 3.23Å; E251-T255 WeakPolarHBondContact O-CG2 3.25Å; E251-T255 PolarHBondContact O-N 2.72Å; E251-T255 PolarHBondContact O-OG1 3.14Å; A253-T255 PolarHBondContact O-N 3.11Å; T255-I259 VanDerWaalsContact O-CB 3.23Å; T255-I259 WeakPolarHBondContact O-CB 3.27Å; T255-I259 VanDerWaalsContact O-CD1 3.3Å; T255-I259 WeakPolarHBondContact O-CD1 3.28Å; T255-I259 WeakPolarHBondContact O-CG1 3.28Å; T255-I259 PolarHBondContact O-N 3.44Å; T255-I259 VanDerWaalsContact O-N 3.07Å; T255-Y264 HydrophobicContact CG2-CE2 4.37Å |
| 256 | K | 71.1 | Confident | 68.3 | Low | 124 Ų | 124 | 108.8 Ų | 108.8 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.3 | -43 | 178.3 | -71 | 177.2 | -167.4 | 152.5 | 0 | 111.9 | L252 A253 D254 Q260 | L252-K256 WeakPolarHBondContact O-CD 3.46Å; L252-K256 WeakPolarHBondContact O-CE 3.4Å; L252-K256 VanDerWaalsContact O-CG 3.31Å; L252-K256 WeakPolarHBondContact O-CG 3.29Å; L252-K256 PolarHBondContact O-NZ 2.7Å; A253-K256 PolarHBondContact O-N 2.85Å; A253-K256 VanDerWaalsContact O-N 3.1Å; D254-K256 VanDerWaalsContact C-N 3.31Å; D254-K256 PolarHBondContact O-N 2.91Å; K256-Q260 WeakPolarHBondContact O-CG 3.32Å; K256-Q260 PolarHBondContact O-N 2.82Å |
| 257 | Q | 67.8 | Low | 67.5 | Low | 107 Ų | 107 | 108.2 Ų | 108.2 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -50 | 177.2 | -179 | 169 | -44.3 | 0 | 0 | 111 | A253 D254 I259 Q260 Q261 | A253-Q257 PolarHBondContact O-N 3.37Å; A253-Q257 VanDerWaalsContact O-N 3.12Å; D254-Q257 PolarHBondContact O-N 2.94Å; Q257-I259 VanDerWaalsContact C-N 3.35Å; Q257-I259 PolarHBondContact O-N 2.89Å; Q257-Q260 PolarHBondContact O-N 2.87Å; Q257-Q260 VanDerWaalsContact O-N 3.15Å; Q257-Q261 PolarHBondContact O-N 2.81Å |
| 258 | N | 60.5 | Low | 66.9 | Low | 31 Ų | 31 | 103.1 Ų | 103.1 | 17% | 0.166 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -75.2 | -24.1 | -171 | -60.5 | -9.1 | 0 | 0 | 0 | 112.6 | D254 Y264 | D254-N258 VanDerWaalsContact O-CB 3.26Å; D254-N258 WeakPolarHBondContact O-CB 3.27Å; D254-N258 PolarHBondContact O-N 3.13Å; D254-N258 PolarHBondContact O-ND2 2.84Å; N258-Y264 HydrophobicContact CB-CD2 3.31Å; N258-Y264 HydrophobicContact CB-CE2 3.84Å; N258-Y264 HydrophobicContact CB-CG 4.03Å |
| 259 | I | 58.7 | Low | 67 | Low | 125 Ų | 125 | 106.3 Ų | 106.3 | 64% | 0.641 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.8 | -37.6 | 169.5 | -72 | 169.4 | 0 | 0 | 0 | 111.4 | T255 Q257 Y264 | T255-I259 VanDerWaalsContact O-CB 3.23Å; T255-I259 WeakPolarHBondContact O-CB 3.27Å; T255-I259 VanDerWaalsContact O-CD1 3.3Å; T255-I259 WeakPolarHBondContact O-CD1 3.28Å; T255-I259 WeakPolarHBondContact O-CG1 3.28Å; T255-I259 PolarHBondContact O-N 3.44Å; T255-I259 VanDerWaalsContact O-N 3.07Å; Q257-I259 VanDerWaalsContact C-N 3.35Å; Q257-I259 PolarHBondContact O-N 2.89Å; I259-Y264 HydrophobicContact CG1-CD2 4.36Å |
| 260 | Q | 61.8 | Low | 67 | Low | 168 Ų | 168 | 104.6 Ų | 104.6 | 79% | 0.785 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.1 | -31.7 | -179.8 | -75.2 | -180 | 6 | 0 | 0 | 113.4 | K256 Q257 | K256-Q260 WeakPolarHBondContact O-CG 3.32Å; K256-Q260 PolarHBondContact O-N 2.82Å; Q257-Q260 PolarHBondContact O-N 2.87Å; Q257-Q260 VanDerWaalsContact O-N 3.15Å |
| 261 | Q | 58.3 | Low | 67 | Low | 122 Ų | 122 | 102.6 Ų | 102.6 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -90.9 | -6.3 | -177 | -62.8 | -177.8 | 5 | 0 | 0 | 113.5 | Q257 D263 | Q257-Q261 PolarHBondContact O-N 2.81Å; Q261-D263 PolarHBondContact O-N 3.33Å |
| 262 | G | 59.3 | Low | 67.2 | Low | 63 Ų | 63 | 101.6 Ų | 101.6 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 73.9 | -24.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y264 | G262-Y264 VanDerWaalsContact C-N 3.26Å; G262-Y264 PolarHBondContact O-N 2.9Å |
| 263 | D | 59.7 | Low | 67.7 | Low | 72 Ų | 72 | 101.5 Ų | 101.5 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 10.3 | -176.4 | -90.5 | -55.3 | 0 | 0 | 0 | 115.2 | Q261 R265 R266 E267 | Q261-D263 PolarHBondContact O-N 3.33Å; D263-R265 PolarHBondContact O-N 3.39Å; D263-R266 WeakPolarHBondContact O-CA 3.32Å; D263-R266 PolarHBondContact O-N 3.22Å; D263-R266 WeakPolarHBondContact OD1-CD 3.42Å; D263-E267 HydrophobicContact CB-CG 4.38Å; D263-E267 PolarHBondContact O-N 3.12Å |
| 264 | Y | 60.1 | Low | 68 | Low | 84 Ų | 84 | 106.4 Ų | 106.4 | 33% | 0.329 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -42.7 | -44.3 | 176.2 | -161.2 | -63.6 | 0 | 0 | 0 | 112.8 | T255 N258 I259 G262 R266 N268 | T255-Y264 HydrophobicContact CG2-CE2 4.37Å; N258-Y264 HydrophobicContact CB-CD2 3.31Å; N258-Y264 HydrophobicContact CB-CE2 3.84Å; N258-Y264 HydrophobicContact CB-CG 4.03Å; I259-Y264 HydrophobicContact CG1-CD2 4.36Å; G262-Y264 VanDerWaalsContact C-N 3.26Å; G262-Y264 PolarHBondContact O-N 2.9Å; Y264-R266 VanDerWaalsContact C-N 3.33Å; Y264-R266 PolarHBondContact O-N 3.47Å; Y264-N268 HydrophobicContact CD1-CB 4.11Å; Y264-N268 HydrophobicContact CE1-CB 4.08Å; Y264-N268 WeakPolarHBondContact O-CB 3.42Å; Y264-N268 PolarHBondContact O-N 3.32Å; Y264-N268 VanDerWaalsContact O-N 3.08Å |
| 265 | R | 61.6 | Low | 68.7 | Low | 236 Ų | 236 | 106.7 Ų | 106.7 | 89% | 0.891 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -72.7 | -20.4 | -178.9 | -73.5 | -173.3 | 174.9 | -174 | -0.7 | 114.5 | D263 | D263-R265 PolarHBondContact O-N 3.39Å |
| 266 | R | 64.1 | Low | 69.9 | Low | 196 Ų | 196 | 110.5 Ų | 110.5 | 74% | 0.74 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -92.6 | -46.6 | 178.4 | -83.7 | 175.9 | 158.5 | -174.5 | -2.2 | 111.6 | D263 Y264 P270 | D263-R266 WeakPolarHBondContact O-CA 3.32Å; D263-R266 PolarHBondContact O-N 3.22Å; D263-R266 WeakPolarHBondContact OD1-CD 3.42Å; Y264-R266 VanDerWaalsContact C-N 3.33Å; Y264-R266 PolarHBondContact O-N 3.47Å; R266-P270 VanDerWaalsContact O-CD 3.28Å; R266-P270 WeakPolarHBondContact O-CD 3.3Å |
| 267 | E | 63.6 | Low | 70.6 | Confident | 105 Ų | 105 | 107.2 Ų | 107.2 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.9 | -31.5 | -179.2 | -64.2 | -166.3 | 138.1 | 0 | 0 | 113 | D263 Y269 P270 | D263-E267 HydrophobicContact CB-CG 4.38Å; D263-E267 PolarHBondContact O-N 3.12Å; E267-Y269 VanDerWaalsContact C-N 3.31Å; E267-Y269 PolarHBondContact O-N 3.3Å; E267-P270 VanDerWaalsContact O-CD 3.23Å; E267-P270 WeakPolarHBondContact O-CD 3.31Å; E267-P270 VanDerWaalsContact O-CG 3.27Å; E267-P270 WeakPolarHBondContact O-CG 3.19Å |
| 268 | N | 67.9 | Low | 71.6 | Confident | 42 Ų | 42 | 106.5 Ų | 106.5 | 23% | 0.225 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -75.6 | -17.3 | 179 | -158.9 | 33.4 | 0 | 0 | 0 | 113.6 | Y264 N271 I272 | Y264-N268 HydrophobicContact CD1-CB 4.11Å; Y264-N268 HydrophobicContact CE1-CB 4.08Å; Y264-N268 WeakPolarHBondContact O-CB 3.42Å; Y264-N268 PolarHBondContact O-N 3.32Å; Y264-N268 VanDerWaalsContact O-N 3.08Å; N268-N271 PolarHBondContact O-N 2.93Å; N268-I272 HydrophobicContact CB-CD1 4.5Å; N268-I272 WeakPolarHBondContact ND2-CD1 3.3Å; N268-I272 WeakPolarHBondContact O-CB 3.32Å; N268-I272 VanDerWaalsContact O-CG1 3.28Å; N268-I272 WeakPolarHBondContact O-CG1 3.42Å; N268-I272 PolarHBondContact O-N 3.39Å |
| 269 | Y | 76.9 | Confident | 72.9 | Confident | 159 Ų | 159 | 111.1 Ų | 111.1 | 62% | 0.624 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -48.8 | 178.6 | -174 | -98.5 | 0 | 0 | 0 | 114 | E267 N271 K273 | E267-Y269 VanDerWaalsContact C-N 3.31Å; E267-Y269 PolarHBondContact O-N 3.3Å; Y269-N271 VanDerWaalsContact C-N 3.26Å; Y269-N271 PolarHBondContact O-N 3.21Å; Y269-K273 WeakPolarHBondContact O-CB 3.49Å; Y269-K273 PolarHBondContact O-N 2.86Å |
| 270 | P | 78.9 | Confident | 74.3 | Confident | 58 Ų | 58 | 109.1 Ų | 109.1 | 38% | 0.377 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -26.5 | 173.1 | 25 | -34.8 | 0 | 0 | 0 | 113.5 | R266 E267 R274 | R266-P270 VanDerWaalsContact O-CD 3.28Å; R266-P270 WeakPolarHBondContact O-CD 3.3Å; E267-P270 VanDerWaalsContact O-CD 3.23Å; E267-P270 WeakPolarHBondContact O-CD 3.31Å; E267-P270 VanDerWaalsContact O-CG 3.27Å; E267-P270 WeakPolarHBondContact O-CG 3.19Å; P270-R274 WeakPolarHBondContact O-CG 3.47Å; P270-R274 PolarHBondContact O-N 3.2Å |
| 271 | N | 77.8 | Confident | 75.7 | Confident | 69 Ų | 69 | 104.8 Ų | 104.8 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.6 | -51.1 | 174.1 | -72.4 | -5.2 | 0 | 0 | 0 | 111.5 | N268 Y269 K273 R274 E275 | N268-N271 PolarHBondContact O-N 2.93Å; Y269-N271 VanDerWaalsContact C-N 3.26Å; Y269-N271 PolarHBondContact O-N 3.21Å; N271-K273 PolarHBondContact O-N 2.76Å; N271-K273 VanDerWaalsContact O-N 3.15Å; N271-R274 CarbonylContact O-C 3.59Å; N271-R274 WeakPolarHBondContact O-CA 3.48Å; N271-R274 WeakPolarHBondContact O-CB 3.38Å; N271-R274 PolarHBondContact O-N 3.01Å; N271-R274 PolarHBondContact OD1-NH1 3.37Å; N271-E275 WeakPolarHBondContact O-CG 3.34Å; N271-E275 PolarHBondContact O-N 2.89Å |
| 272 | I | 80.6 | Confident | 77.2 | Confident | 85 Ų | 85 | 104.3 Ų | 104.3 | 44% | 0.436 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -53.2 | -37.1 | 171.2 | -69.3 | 163.9 | 0 | 0 | 0 | 111.2 | N268 R276 | N268-I272 HydrophobicContact CB-CD1 4.5Å; N268-I272 WeakPolarHBondContact ND2-CD1 3.3Å; N268-I272 WeakPolarHBondContact O-CB 3.32Å; N268-I272 VanDerWaalsContact O-CG1 3.28Å; N268-I272 WeakPolarHBondContact O-CG1 3.42Å; N268-I272 PolarHBondContact O-N 3.39Å; I272-R276 VanDerWaalsContact O-CB 3.29Å; I272-R276 WeakPolarHBondContact O-CB 3.39Å; I272-R276 PolarHBondContact O-N 2.9Å |
| 273 | K | 83.4 | Confident | 78.6 | Confident | 98 Ų | 98 | 106 Ų | 106 | 43% | 0.426 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68 | -43.7 | 175.9 | -165.8 | -162.7 | 167.2 | -165.3 | 0 | 112.1 | Y269 N271 R276 D277 | Y269-K273 WeakPolarHBondContact O-CB 3.49Å; Y269-K273 PolarHBondContact O-N 2.86Å; N271-K273 PolarHBondContact O-N 2.76Å; N271-K273 VanDerWaalsContact O-N 3.15Å; K273-R276 PolarHBondContact O-N 3.49Å; K273-D277 WeakPolarHBondContact CE-OD2 3.48Å; K273-D277 WeakPolarHBondContact O-CB 3.33Å; K273-D277 PolarHBondContact O-N 2.91Å |
| 274 | R | 84.3 | Confident | 80 | Confident | 156 Ų | 156 | 107.5 Ų | 107.5 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.6 | -53.6 | 174.1 | -76.6 | 169.3 | 177.1 | 153.6 | -5.1 | 110.8 | P270 N271 R276 D277 D278 | P270-R274 WeakPolarHBondContact O-CG 3.47Å; P270-R274 PolarHBondContact O-N 3.2Å; N271-R274 CarbonylContact O-C 3.59Å; N271-R274 WeakPolarHBondContact O-CA 3.48Å; N271-R274 WeakPolarHBondContact O-CB 3.38Å; N271-R274 PolarHBondContact O-N 3.01Å; N271-R274 PolarHBondContact OD1-NH1 3.37Å; R274-R276 VanDerWaalsContact C-N 3.26Å; R274-R276 PolarHBondContact O-N 2.93Å; R274-D277 CarbonylContact O-C 3.53Å; R274-D277 WeakPolarHBondContact O-CA 3.36Å; R274-D277 PolarHBondContact O-N 3.45Å; R274-D278 WeakPolarHBondContact O-CB 3.36Å; R274-D278 PolarHBondContact O-N 3.37Å; R274-D278 VanDerWaalsContact O-OD2 3.13Å |
| 275 | E | 84.6 | Confident | 81.4 | Confident | 96 Ų | 96 | 108.1 Ų | 108.1 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -50.1 | -46.5 | 175.5 | -70.6 | 167.4 | -170.4 | 0 | 0 | 111.6 | N271 F279 | N271-E275 WeakPolarHBondContact O-CG 3.34Å; N271-E275 PolarHBondContact O-N 2.89Å; E275-F279 HydrophobicContact CB-CD2 4.35Å; E275-F279 HydrophobicContact CB-CE2 4.14Å; E275-F279 VanDerWaalsContact O-CB 3.25Å; E275-F279 WeakPolarHBondContact O-CB 3.39Å; E275-F279 WeakPolarHBondContact O-CD2 3.42Å; E275-F279 WeakPolarHBondContact O-CG 3.36Å; E275-F279 PolarHBondContact O-N 3.26Å |
| 276 | R | 86.2 | Confident | 82.6 | Confident | 124 Ų | 124 | 102.2 Ų | 102.2 | 47% | 0.468 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 173.2 | 179.5 | -155.9 | 68.9 | 172.5 | 3.7 | 112.5 | I272 K273 R274 E280 | I272-R276 VanDerWaalsContact O-CB 3.29Å; I272-R276 WeakPolarHBondContact O-CB 3.39Å; I272-R276 PolarHBondContact O-N 2.9Å; K273-R276 PolarHBondContact O-N 3.49Å; R274-R276 VanDerWaalsContact C-N 3.26Å; R274-R276 PolarHBondContact O-N 2.93Å; R276-E280 VanDerWaalsContact O-CB 3.28Å; R276-E280 WeakPolarHBondContact O-CB 3.19Å; R276-E280 PolarHBondContact O-N 2.66Å |
| 277 | D | 87 | Confident | 83.9 | Confident | 56 Ų | 56 | 98.5 Ų | 98.5 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | -176.8 | -68.5 | -12.8 | 0 | 0 | 0 | 111 | K273 R274 E280 T281 | K273-D277 WeakPolarHBondContact CE-OD2 3.48Å; K273-D277 WeakPolarHBondContact O-CB 3.33Å; K273-D277 PolarHBondContact O-N 2.91Å; R274-D277 CarbonylContact O-C 3.53Å; R274-D277 WeakPolarHBondContact O-CA 3.36Å; R274-D277 PolarHBondContact O-N 3.45Å; D277-E280 WeakPolarHBondContact O-CB 3.4Å; D277-E280 PolarHBondContact O-N 3.11Å; D277-T281 WeakPolarHBondContact O-CG2 3.49Å; D277-T281 PolarHBondContact O-N 3.38Å |
| 278 | D | 88.1 | Confident | 85.2 | Confident | 92 Ų | 92 | 101.5 Ų | 101.5 | 49% | 0.492 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.8 | -52.5 | 174.2 | -63.8 | -34.3 | 0 | 0 | 0 | 110.3 | R274 E280 T281 E282 | R274-D278 WeakPolarHBondContact O-CB 3.36Å; R274-D278 PolarHBondContact O-N 3.37Å; R274-D278 VanDerWaalsContact O-OD2 3.13Å; D278-E280 PolarHBondContact O-N 3.35Å; D278-T281 CarbonylContact O-C 3.47Å; D278-T281 WeakPolarHBondContact O-CA 3.25Å; D278-T281 PolarHBondContact O-N 3.4Å; D278-T281 PolarHBondContact O-OG1 2.94Å; D278-E282 PolarHBondContact O-N 3.45Å |
| 279 | F | 87.6 | Confident | 86.3 | Confident | 127 Ų | 127 | 104.6 Ų | 104.6 | 56% | 0.557 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.3 | -33.6 | 172.7 | -71.7 | -44.9 | 0 | 0 | 0 | 112.2 | E275 E282 L283 | E275-F279 HydrophobicContact CB-CD2 4.35Å; E275-F279 HydrophobicContact CB-CE2 4.14Å; E275-F279 VanDerWaalsContact O-CB 3.25Å; E275-F279 WeakPolarHBondContact O-CB 3.39Å; E275-F279 WeakPolarHBondContact O-CD2 3.42Å; E275-F279 WeakPolarHBondContact O-CG 3.36Å; E275-F279 PolarHBondContact O-N 3.26Å; F279-E282 PolarHBondContact O-N 2.89Å; F279-L283 WeakPolarHBondContact O-CB 3.41Å; F279-L283 PolarHBondContact O-N 3.41Å |
| 280 | E | 88.8 | Confident | 87 | Confident | 84 Ų | 84 | 103.1 Ų | 103.1 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 171.7 | -99.5 | -160.3 | -133.6 | 0 | 0 | 112.2 | R276 D277 D278 K284 | R276-E280 VanDerWaalsContact O-CB 3.28Å; R276-E280 WeakPolarHBondContact O-CB 3.19Å; R276-E280 PolarHBondContact O-N 2.66Å; D277-E280 WeakPolarHBondContact O-CB 3.4Å; D277-E280 PolarHBondContact O-N 3.11Å; D278-E280 PolarHBondContact O-N 3.35Å; E280-K284 WeakPolarHBondContact O-CD 3.4Å; E280-K284 VanDerWaalsContact O-CE 3.23Å; E280-K284 WeakPolarHBondContact O-CE 3.33Å; E280-K284 WeakPolarHBondContact O-CG 3.31Å; E280-K284 PolarHBondContact O-N 2.82Å; E280-K284 VanDerWaalsContact O-N 3.16Å; E280-K284 IonicContact OE2-NZ 2.97Å; E280-K284 PolarHBondContact OE2-NZ 3.11Å |
| 281 | T | 89.9 | Confident | 87.6 | Confident | 76 Ų | 76 | 105.4 Ų | 105.4 | 47% | 0.466 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.9 | -41.5 | 172.3 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | D277 D278 L283 K284 E285 | D277-T281 WeakPolarHBondContact O-CG2 3.49Å; D277-T281 PolarHBondContact O-N 3.38Å; D278-T281 CarbonylContact O-C 3.47Å; D278-T281 WeakPolarHBondContact O-CA 3.25Å; D278-T281 PolarHBondContact O-N 3.4Å; D278-T281 PolarHBondContact O-OG1 2.94Å; T281-L283 VanDerWaalsContact C-N 3.32Å; T281-L283 PolarHBondContact O-N 3.05Å; T281-K284 CarbonylContact O-C 3.5Å; T281-K284 PolarHBondContact O-N 2.86Å; T281-K284 VanDerWaalsContact O-N 3.09Å; T281-E285 PolarHBondContact O-N 3.32Å |
| 282 | E | 89.9 | Confident | 88.2 | Confident | 113 Ų | 113 | 106.3 Ų | 106.3 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 173 | -69.1 | -169 | 156.4 | 0 | 0 | 111.3 | D278 F279 K284 E285 L286 | D278-E282 PolarHBondContact O-N 3.45Å; F279-E282 PolarHBondContact O-N 2.89Å; E282-K284 VanDerWaalsContact C-N 3.33Å; E282-K284 PolarHBondContact O-N 2.92Å; E282-E285 PolarHBondContact O-N 3.24Å; E282-L286 WeakPolarHBondContact O-CB 3.46Å; E282-L286 PolarHBondContact O-N 2.8Å |
| 283 | L | 89.2 | Confident | 88.8 | Confident | 99 Ų | 99 | 106.4 Ų | 106.4 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 174.4 | -110.2 | 166.5 | 0 | 0 | 0 | 112.7 | F279 T281 K287 | F279-L283 WeakPolarHBondContact O-CB 3.41Å; F279-L283 PolarHBondContact O-N 3.41Å; T281-L283 VanDerWaalsContact C-N 3.32Å; T281-L283 PolarHBondContact O-N 3.05Å; L283-K287 HydrophobicContact CD2-CD 4.5Å; L283-K287 VanDerWaalsContact O-CB 3.31Å; L283-K287 WeakPolarHBondContact O-CB 3.49Å; L283-K287 WeakPolarHBondContact O-CD 3.46Å; L283-K287 WeakPolarHBondContact O-CG 3.2Å; L283-K287 PolarHBondContact O-N 3.24Å |
| 284 | K | 89.4 | Confident | 89.2 | Confident | 103 Ų | 103 | 105.3 Ų | 105.3 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.9 | -35.1 | 176.4 | -69.2 | 156.6 | -160.1 | 162.5 | 0 | 111 | E280 T281 E282 R288 | E280-K284 WeakPolarHBondContact O-CD 3.4Å; E280-K284 VanDerWaalsContact O-CE 3.23Å; E280-K284 WeakPolarHBondContact O-CE 3.33Å; E280-K284 WeakPolarHBondContact O-CG 3.31Å; E280-K284 PolarHBondContact O-N 2.82Å; E280-K284 VanDerWaalsContact O-N 3.16Å; E280-K284 IonicContact OE2-NZ 2.97Å; E280-K284 PolarHBondContact OE2-NZ 3.11Å; T281-K284 CarbonylContact O-C 3.5Å; T281-K284 PolarHBondContact O-N 2.86Å; T281-K284 VanDerWaalsContact O-N 3.09Å; E282-K284 VanDerWaalsContact C-N 3.33Å; E282-K284 PolarHBondContact O-N 2.92Å; K284-R288 VanDerWaalsContact O-CG 3.3Å; K284-R288 WeakPolarHBondContact O-CG 3.45Å; K284-R288 PolarHBondContact O-N 3.15Å; K284-R288 VanDerWaalsContact O-N 3.16Å |
| 285 | E | 90.3 | Very high | 89.6 | Confident | 96 Ų | 96 | 103.7 Ų | 103.7 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.5 | -44 | 172.8 | -76.5 | -155 | -174.9 | 0 | 0 | 113.5 | T281 E282 K287 R288 K289 | T281-E285 PolarHBondContact O-N 3.32Å; E282-E285 PolarHBondContact O-N 3.24Å; E285-K287 VanDerWaalsContact C-N 3.3Å; E285-K287 PolarHBondContact O-N 2.91Å; E285-R288 PolarHBondContact O-N 2.83Å; E285-K289 WeakPolarHBondContact O-CB 3.46Å; E285-K289 WeakPolarHBondContact O-CD 3.39Å; E285-K289 VanDerWaalsContact O-CG 3.25Å; E285-K289 WeakPolarHBondContact O-CG 3.49Å; E285-K289 PolarHBondContact O-N 3.46Å; E285-K289 WeakPolarHBondContact OE2-CE 3.46Å; E285-K289 IonicContact OE2-NZ 4Å; E285-K289 PolarHBondContact OE2-NZ 2.89Å |
| 286 | L | 87.1 | Confident | 90 | Very high | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -39.7 | 176.8 | -111.6 | 67.8 | 0 | 0 | 0 | 110.8 | E282 K289 F290 | E282-L286 WeakPolarHBondContact O-CB 3.46Å; E282-L286 PolarHBondContact O-N 2.8Å; L286-K289 PolarHBondContact O-N 3.41Å; L286-F290 WeakPolarHBondContact O-CB 3.49Å; L286-F290 PolarHBondContact O-N 2.98Å |
| 287 | K | 90.6 | Very high | 90.2 | Very high | 119 Ų | 119 | 101.7 Ų | 101.7 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 172.2 | -78.1 | 171.5 | 177.4 | 176.2 | 0 | 111.9 | L283 E285 K289 F290 E291 | L283-K287 HydrophobicContact CD2-CD 4.5Å; L283-K287 VanDerWaalsContact O-CB 3.31Å; L283-K287 WeakPolarHBondContact O-CB 3.49Å; L283-K287 WeakPolarHBondContact O-CD 3.46Å; L283-K287 WeakPolarHBondContact O-CG 3.2Å; L283-K287 PolarHBondContact O-N 3.24Å; E285-K287 VanDerWaalsContact C-N 3.3Å; E285-K287 PolarHBondContact O-N 2.91Å; K287-K289 PolarHBondContact O-N 3.24Å; K287-F290 PolarHBondContact O-N 2.95Å; K287-E291 WeakPolarHBondContact O-CB 3.25Å; K287-E291 WeakPolarHBondContact O-CG 3.45Å; K287-E291 PolarHBondContact O-N 3.4Å |
| 288 | R | 90.7 | Very high | 90.5 | Very high | 167 Ų | 167 | 100.6 Ų | 100.6 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.5 | -43.7 | 174.8 | -73.8 | 168.6 | 176.3 | 172.4 | -1.8 | 112.8 | K284 E285 E291 T292 | K284-R288 VanDerWaalsContact O-CG 3.3Å; K284-R288 WeakPolarHBondContact O-CG 3.45Å; K284-R288 PolarHBondContact O-N 3.15Å; K284-R288 VanDerWaalsContact O-N 3.16Å; E285-R288 PolarHBondContact O-N 2.83Å; R288-E291 PolarHBondContact O-N 2.81Å; R288-T292 WeakPolarHBondContact O-CG2 3.5Å; R288-T292 PolarHBondContact O-N 3.12Å; R288-T292 PolarHBondContact O-OG1 2.78Å |
| 289 | K | 91 | Very high | 90.7 | Very high | 108 Ų | 108 | 98.1 Ų | 98.1 | 47% | 0.47 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 177.9 | -71.2 | 161.7 | -170.4 | 165.1 | 0 | 110.3 | E285 L286 K287 T292 V293 | E285-K289 WeakPolarHBondContact O-CB 3.46Å; E285-K289 WeakPolarHBondContact O-CD 3.39Å; E285-K289 VanDerWaalsContact O-CG 3.25Å; E285-K289 WeakPolarHBondContact O-CG 3.49Å; E285-K289 PolarHBondContact O-N 3.46Å; E285-K289 WeakPolarHBondContact OE2-CE 3.46Å; E285-K289 IonicContact OE2-NZ 4Å; E285-K289 PolarHBondContact OE2-NZ 2.89Å; L286-K289 PolarHBondContact O-N 3.41Å; K287-K289 PolarHBondContact O-N 3.24Å; K289-T292 WeakPolarHBondContact CA-OG1 3.24Å; K289-T292 PolarHBondContact O-N 3.22Å; K289-T292 PolarHBondContact O-OG1 2.83Å; K289-V293 WeakPolarHBondContact O-CG2 3.49Å; K289-V293 PolarHBondContact O-N 2.89Å |
| 290 | F | 90.9 | Very high | 91 | Very high | 127 Ų | 127 | 97.1 Ų | 97.1 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.9 | -48.4 | 174.8 | -174.8 | -100 | 0 | 0 | 0 | 111.8 | L286 K287 T292 V293 D294 | L286-F290 WeakPolarHBondContact O-CB 3.49Å; L286-F290 PolarHBondContact O-N 2.98Å; K287-F290 PolarHBondContact O-N 2.95Å; F290-T292 VanDerWaalsContact C-N 3.32Å; F290-T292 PolarHBondContact O-N 3.36Å; F290-V293 CarbonylContact O-C 3.54Å; F290-V293 PolarHBondContact O-N 3.5Å; F290-D294 WeakPolarHBondContact CE1-OD2 3.31Å; F290-D294 WeakPolarHBondContact CZ-OD2 3.27Å; F290-D294 WeakPolarHBondContact O-CB 3.44Å; F290-D294 PolarHBondContact O-N 2.86Å |
| 291 | E | 92.2 | Very high | 91.2 | Very high | 106 Ų | 106 | 95.7 Ų | 95.7 | 50% | 0.495 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.3 | -43.1 | 174 | -72.6 | 157.5 | -162.8 | 0 | 0 | 111.9 | K287 R288 L295 | K287-E291 WeakPolarHBondContact O-CB 3.25Å; K287-E291 WeakPolarHBondContact O-CG 3.45Å; K287-E291 PolarHBondContact O-N 3.4Å; R288-E291 PolarHBondContact O-N 2.81Å; E291-L295 WeakPolarHBondContact O-CB 3.45Å; E291-L295 WeakPolarHBondContact O-CG 3.45Å; E291-L295 PolarHBondContact O-N 3.28Å |
| 292 | T | 91.6 | Very high | 91.3 | Very high | 89 Ų | 89 | 99.6 Ų | 99.6 | 55% | 0.546 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68 | -35.5 | 175.3 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | R288 K289 F290 S296 | R288-T292 WeakPolarHBondContact O-CG2 3.5Å; R288-T292 PolarHBondContact O-N 3.12Å; R288-T292 PolarHBondContact O-OG1 2.78Å; K289-T292 WeakPolarHBondContact CA-OG1 3.24Å; K289-T292 PolarHBondContact O-N 3.22Å; K289-T292 PolarHBondContact O-OG1 2.83Å; F290-T292 VanDerWaalsContact C-N 3.32Å; F290-T292 PolarHBondContact O-N 3.36Å; T292-S296 WeakPolarHBondContact O-CB 3.34Å; T292-S296 PolarHBondContact O-N 3.46Å |
| 293 | V | 91.9 | Very high | 91.5 | Very high | 86 Ų | 86 | 99.4 Ų | 99.4 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70 | -45.9 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | K289 F290 L295 S296 H297 | K289-V293 WeakPolarHBondContact O-CG2 3.49Å; K289-V293 PolarHBondContact O-N 2.89Å; F290-V293 CarbonylContact O-C 3.54Å; F290-V293 PolarHBondContact O-N 3.5Å; V293-L295 VanDerWaalsContact C-N 3.34Å; V293-L295 PolarHBondContact O-N 3.47Å; V293-S296 CarbonylContact O-C 3.59Å; V293-S296 PolarHBondContact O-N 2.91Å; V293-S296 VanDerWaalsContact O-N 3.09Å; V293-S296 PolarHBondContact O-OG 3.39Å; V293-H297 WeakPolarHBondContact O-CB 3.39Å; V293-H297 PolarHBondContact O-N 2.93Å |
| 294 | D | 92.1 | Very high | 91.7 | Very high | 75 Ų | 75 | 102.5 Ų | 102.5 | 40% | 0.401 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 175.1 | -87.2 | 5.2 | 0 | 0 | 0 | 111.8 | F290 S296 H297 A298 | F290-D294 WeakPolarHBondContact CE1-OD2 3.31Å; F290-D294 WeakPolarHBondContact CZ-OD2 3.27Å; F290-D294 WeakPolarHBondContact O-CB 3.44Å; F290-D294 PolarHBondContact O-N 2.86Å; D294-S296 VanDerWaalsContact C-N 3.35Å; D294-S296 PolarHBondContact O-N 2.87Å; D294-H297 PolarHBondContact O-N 2.9Å; D294-A298 VanDerWaalsContact O-CB 3.23Å; D294-A298 WeakPolarHBondContact O-CB 3.46Å; D294-A298 PolarHBondContact O-N 3.24Å |
| 295 | L | 93.4 | Very high | 91.9 | Very high | 123 Ų | 123 | 100.4 Ų | 100.4 | 64% | 0.644 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.1 | -41.4 | 174.2 | -74.7 | 169.5 | 0 | 0 | 0 | 111.8 | E291 V293 A299 | E291-L295 WeakPolarHBondContact O-CB 3.45Å; E291-L295 WeakPolarHBondContact O-CG 3.45Å; E291-L295 PolarHBondContact O-N 3.28Å; V293-L295 VanDerWaalsContact C-N 3.34Å; V293-L295 PolarHBondContact O-N 3.47Å; L295-A299 PolarHBondContact O-N 3.36Å |
| 296 | S | 91.8 | Very high | 92.1 | Very high | 59 Ų | 59 | 99.3 Ų | 99.3 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 176.7 | 77.3 | 0 | 0 | 0 | 0 | 112.8 | T292 V293 D294 A299 L300 | T292-S296 WeakPolarHBondContact O-CB 3.34Å; T292-S296 PolarHBondContact O-N 3.46Å; V293-S296 CarbonylContact O-C 3.59Å; V293-S296 PolarHBondContact O-N 2.91Å; V293-S296 VanDerWaalsContact O-N 3.09Å; V293-S296 PolarHBondContact O-OG 3.39Å; D294-S296 VanDerWaalsContact C-N 3.35Å; D294-S296 PolarHBondContact O-N 2.87Å; S296-A299 WeakPolarHBondContact O-CB 3.4Å; S296-A299 PolarHBondContact O-N 3.44Å; S296-L300 WeakPolarHBondContact O-CG 3.46Å; S296-L300 PolarHBondContact O-N 2.79Å |
| 297 | H | 91.3 | Very high | 92.4 | Very high | 118 Ų | 118 | 98.8 Ų | 98.8 | 55% | 0.546 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 175.2 | -175.3 | -3 | 0 | 0 | 0 | 110.3 | V293 D294 A299 L300 T301 | V293-H297 WeakPolarHBondContact O-CB 3.39Å; V293-H297 PolarHBondContact O-N 2.93Å; D294-H297 PolarHBondContact O-N 2.9Å; H297-A299 VanDerWaalsContact C-N 3.25Å; H297-A299 PolarHBondContact O-N 3.35Å; H297-L300 PolarHBondContact O-N 2.85Å; H297-T301 PolarHBondContact CE1-OG1 3.03Å; H297-T301 VanDerWaalsContact CE1-OG1 3.26Å; H297-T301 PolarHBondContact ND1-OG1 3.21Å; H297-T301 VanDerWaalsContact ND1-OG1 3.09Å; H297-T301 WeakPolarHBondContact O-CB 3.38Å; H297-T301 PolarHBondContact O-N 2.98Å; H297-T301 PolarHBondContact O-OG1 3.24Å |
| 298 | A | 93.4 | Very high | 92.6 | Very high | 34 Ų | 34 | 96.1 Ų | 96.1 | 28% | 0.281 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65 | -27.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D294 R302 | D294-A298 VanDerWaalsContact O-CB 3.23Å; D294-A298 WeakPolarHBondContact O-CB 3.46Å; D294-A298 PolarHBondContact O-N 3.24Å; A298-R302 WeakPolarHBondContact O-CD 3.45Å; A298-R302 WeakPolarHBondContact O-CG 3.49Å; A298-R302 PolarHBondContact O-N 3.42Å; A298-R302 PolarHBondContact O-NH1 3.44Å |
| 299 | A | 92.7 | Very high | 92.8 | Very high | 39 Ų | 39 | 93.1 Ų | 93.1 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.9 | -54.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | L295 S296 H297 T301 R302 E303 | L295-A299 PolarHBondContact O-N 3.36Å; S296-A299 WeakPolarHBondContact O-CB 3.4Å; S296-A299 PolarHBondContact O-N 3.44Å; H297-A299 VanDerWaalsContact C-N 3.25Å; H297-A299 PolarHBondContact O-N 3.35Å; A299-T301 VanDerWaalsContact C-N 3.3Å; A299-T301 PolarHBondContact O-N 2.87Å; A299-R302 WeakPolarHBondContact O-CA 3.49Å; A299-R302 WeakPolarHBondContact O-CB 3.25Å; A299-R302 PolarHBondContact O-N 2.81Å; A299-E303 PolarHBondContact O-N 2.83Å |
| 300 | L | 92.2 | Very high | 93 | Very high | 106 Ų | 106 | 93 Ų | 93 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.7 | -35.6 | 179.7 | -70.1 | 170.5 | 0 | 0 | 0 | 113.3 | S296 H297 E303 R304 | S296-L300 WeakPolarHBondContact O-CG 3.46Å; S296-L300 PolarHBondContact O-N 2.79Å; H297-L300 PolarHBondContact O-N 2.85Å; L300-E303 PolarHBondContact O-N 3.13Å; L300-R304 VanDerWaalsContact O-CB 3.26Å; L300-R304 WeakPolarHBondContact O-CB 3.39Å; L300-R304 PolarHBondContact O-N 2.98Å |
| 301 | T | 93.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 90.7 Ų | 90.7 | 33% | 0.331 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 173.8 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | H297 A299 R304 D305 | H297-T301 PolarHBondContact CE1-OG1 3.03Å; H297-T301 VanDerWaalsContact CE1-OG1 3.26Å; H297-T301 PolarHBondContact ND1-OG1 3.21Å; H297-T301 VanDerWaalsContact ND1-OG1 3.09Å; H297-T301 WeakPolarHBondContact O-CB 3.38Å; H297-T301 PolarHBondContact O-N 2.98Å; H297-T301 PolarHBondContact O-OG1 3.24Å; A299-T301 VanDerWaalsContact C-N 3.3Å; A299-T301 PolarHBondContact O-N 2.87Å; T301-R304 PolarHBondContact O-N 3.31Å; T301-D305 WeakPolarHBondContact O-CB 3.28Å; T301-D305 PolarHBondContact O-N 3.2Å |
| 302 | R | 93.2 | Very high | 93.2 | Very high | 158 Ų | 158 | 87.3 Ų | 87.3 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 175.2 | -70.1 | 170.6 | -166.5 | 114.4 | -6.7 | 111.6 | A298 A299 D305 T306 | A298-R302 WeakPolarHBondContact O-CD 3.45Å; A298-R302 WeakPolarHBondContact O-CG 3.49Å; A298-R302 PolarHBondContact O-N 3.42Å; A298-R302 PolarHBondContact O-NH1 3.44Å; A299-R302 WeakPolarHBondContact O-CA 3.49Å; A299-R302 WeakPolarHBondContact O-CB 3.25Å; A299-R302 PolarHBondContact O-N 2.81Å; R302-D305 PolarHBondContact O-N 2.95Å; R302-T306 PolarHBondContact O-N 3.44Å; R302-T306 PolarHBondContact O-OG1 3.25Å |
| 303 | E | 93 | Very high | 93.4 | Very high | 110 Ų | 110 | 87 Ų | 87 | 51% | 0.514 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 176.4 | -70.8 | 174.4 | -172.5 | 0 | 0 | 111.9 | A299 L300 D305 T306 L307 | A299-E303 PolarHBondContact O-N 2.83Å; L300-E303 PolarHBondContact O-N 3.13Å; E303-D305 VanDerWaalsContact C-N 3.3Å; E303-D305 PolarHBondContact O-N 2.98Å; E303-T306 WeakPolarHBondContact CA-OG1 3.41Å; E303-T306 PolarHBondContact O-N 2.8Å; E303-T306 PolarHBondContact O-OG1 3.05Å; E303-L307 WeakPolarHBondContact O-CB 3.35Å; E303-L307 VanDerWaalsContact O-CG 3.28Å; E303-L307 WeakPolarHBondContact O-CG 3.49Å; E303-L307 PolarHBondContact O-N 2.92Å |
| 304 | R | 93.8 | Very high | 93.5 | Very high | 163 Ų | 163 | 88 Ų | 88 | 62% | 0.615 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.6 | -39.6 | 172.5 | 172.4 | -88.7 | 177.1 | 176.9 | -0.4 | 111.6 | L300 T301 S308 | L300-R304 VanDerWaalsContact O-CB 3.26Å; L300-R304 WeakPolarHBondContact O-CB 3.39Å; L300-R304 PolarHBondContact O-N 2.98Å; T301-R304 PolarHBondContact O-N 3.31Å; R304-S308 VanDerWaalsContact O-CB 3.29Å; R304-S308 WeakPolarHBondContact O-CB 3.32Å; R304-S308 PolarHBondContact O-N 3.3Å |
| 305 | D | 94.3 | Very high | 93.6 | Very high | 60 Ų | 60 | 90.3 Ų | 90.3 | 32% | 0.321 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.3 | -38 | 179.8 | -70 | -15.4 | 0 | 0 | 0 | 111.6 | T301 R302 E303 S308 N309 | T301-D305 WeakPolarHBondContact O-CB 3.28Å; T301-D305 PolarHBondContact O-N 3.2Å; R302-D305 PolarHBondContact O-N 2.95Å; E303-D305 VanDerWaalsContact C-N 3.3Å; E303-D305 PolarHBondContact O-N 2.98Å; D305-S308 PolarHBondContact O-N 2.94Å; D305-N309 WeakPolarHBondContact O-CB 3.18Å; D305-N309 VanDerWaalsContact O-CG 3.25Å; D305-N309 PolarHBondContact O-N 2.93Å; D305-N309 PolarHBondContact O-ND2 3.2Å |
| 306 | T | 94.9 | Very high | 93.7 | Very high | 73 Ų | 73 | 90.5 Ų | 90.5 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 171.6 | 48 | 0 | 0 | 0 | 0 | 111.5 | R302 E303 S308 N309 E310 | R302-T306 PolarHBondContact O-N 3.44Å; R302-T306 PolarHBondContact O-OG1 3.25Å; E303-T306 WeakPolarHBondContact CA-OG1 3.41Å; E303-T306 PolarHBondContact O-N 2.8Å; E303-T306 PolarHBondContact O-OG1 3.05Å; T306-S308 VanDerWaalsContact C-N 3.31Å; T306-S308 PolarHBondContact O-N 3.16Å; T306-N309 WeakPolarHBondContact O-CB 3.34Å; T306-N309 PolarHBondContact O-N 3.18Å; T306-N309 VanDerWaalsContact O-N 3.12Å; T306-E310 WeakPolarHBondContact O-CG 3.42Å; T306-E310 PolarHBondContact O-N 2.94Å |
| 307 | L | 92.8 | Very high | 93.9 | Very high | 101 Ų | 101 | 89.9 Ų | 89.9 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 174.6 | -71.6 | 169.9 | 0 | 0 | 0 | 112.1 | E303 N309 E310 V311 | E303-L307 WeakPolarHBondContact O-CB 3.35Å; E303-L307 VanDerWaalsContact O-CG 3.28Å; E303-L307 WeakPolarHBondContact O-CG 3.49Å; E303-L307 PolarHBondContact O-N 2.92Å; L307-N309 VanDerWaalsContact C-N 3.32Å; L307-N309 PolarHBondContact O-N 3.5Å; L307-E310 PolarHBondContact O-N 3.34Å; L307-V311 WeakPolarHBondContact O-CB 3.4Å; L307-V311 VanDerWaalsContact O-CG2 3.31Å; L307-V311 WeakPolarHBondContact O-CG2 3.43Å; L307-V311 PolarHBondContact O-N 3.39Å |
| 308 | S | 94.4 | Very high | 94.1 | Very high | 62 Ų | 62 | 87.8 Ų | 87.8 | 43% | 0.434 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 174 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | R304 D305 T306 A312 | R304-S308 VanDerWaalsContact O-CB 3.29Å; R304-S308 WeakPolarHBondContact O-CB 3.32Å; R304-S308 PolarHBondContact O-N 3.3Å; D305-S308 PolarHBondContact O-N 2.94Å; T306-S308 VanDerWaalsContact C-N 3.31Å; T306-S308 PolarHBondContact O-N 3.16Å; S308-A312 WeakPolarHBondContact O-CB 3.46Å; S308-A312 PolarHBondContact O-N 2.9Å; S308-A312 VanDerWaalsContact O-N 3.09Å |
| 309 | N | 94.4 | Very high | 94.2 | Very high | 105 Ų | 105 | 89 Ų | 89 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72 | -39.6 | 175.1 | -71 | -39.5 | 0 | 0 | 0 | 111.8 | D305 T306 L307 A312 T313 | D305-N309 WeakPolarHBondContact O-CB 3.18Å; D305-N309 VanDerWaalsContact O-CG 3.25Å; D305-N309 PolarHBondContact O-N 2.93Å; D305-N309 PolarHBondContact O-ND2 3.2Å; T306-N309 WeakPolarHBondContact O-CB 3.34Å; T306-N309 PolarHBondContact O-N 3.18Å; T306-N309 VanDerWaalsContact O-N 3.12Å; L307-N309 VanDerWaalsContact C-N 3.32Å; L307-N309 PolarHBondContact O-N 3.5Å; N309-A312 WeakPolarHBondContact O-CB 3.48Å; N309-A312 PolarHBondContact O-N 3.32Å; N309-T313 WeakPolarHBondContact O-CG2 3.49Å; N309-T313 PolarHBondContact O-N 3.44Å; N309-T313 PolarHBondContact O-OG1 3.37Å |
| 310 | E | 95.1 | Very high | 94.3 | Very high | 106 Ų | 106 | 92 Ų | 92 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 173.4 | -73.7 | 172.1 | -161.4 | 0 | 0 | 112 | T306 L307 A312 T313 L314 | T306-E310 WeakPolarHBondContact O-CG 3.42Å; T306-E310 PolarHBondContact O-N 2.94Å; L307-E310 PolarHBondContact O-N 3.34Å; E310-A312 VanDerWaalsContact C-N 3.28Å; E310-A312 PolarHBondContact O-N 3.49Å; E310-T313 PolarHBondContact O-N 3.39Å; E310-T313 PolarHBondContact O-OG1 2.81Å; E310-L314 WeakPolarHBondContact O-CB 3.43Å; E310-L314 VanDerWaalsContact O-CG 3.27Å; E310-L314 WeakPolarHBondContact O-CG 3.26Å; E310-L314 PolarHBondContact O-N 2.73Å |
| 311 | V | 93.9 | Very high | 94.4 | Very high | 77 Ų | 77 | 92.4 Ų | 92.4 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 172.9 | 168.5 | 0 | 0 | 0 | 0 | 111 | L307 Q315 | L307-V311 WeakPolarHBondContact O-CB 3.4Å; L307-V311 VanDerWaalsContact O-CG2 3.31Å; L307-V311 WeakPolarHBondContact O-CG2 3.43Å; L307-V311 PolarHBondContact O-N 3.39Å; V311-Q315 HydrophobicContact CG1-CG 4.49Å; V311-Q315 WeakPolarHBondContact O-CB 3.32Å; V311-Q315 WeakPolarHBondContact O-CG 3.48Å; V311-Q315 PolarHBondContact O-N 3.21Å |
| 312 | A | 95 | Very high | 94.5 | Very high | 35 Ų | 35 | 94.9 Ų | 94.9 | 29% | 0.289 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | S308 N309 E310 Q315 Q316 | S308-A312 WeakPolarHBondContact O-CB 3.46Å; S308-A312 PolarHBondContact O-N 2.9Å; S308-A312 VanDerWaalsContact O-N 3.09Å; N309-A312 WeakPolarHBondContact O-CB 3.48Å; N309-A312 PolarHBondContact O-N 3.32Å; E310-A312 VanDerWaalsContact C-N 3.28Å; E310-A312 PolarHBondContact O-N 3.49Å; A312-Q315 PolarHBondContact O-N 2.95Å; A312-Q316 VanDerWaalsContact O-CG 3.32Å; A312-Q316 WeakPolarHBondContact O-CG 3.24Å; A312-Q316 PolarHBondContact O-N 2.93Å |
| 313 | T | 95.1 | Very high | 94.7 | Very high | 83 Ų | 83 | 93.2 Ų | 93.2 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.1 | -35.1 | 176.6 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | N309 E310 Q316 S317 | N309-T313 WeakPolarHBondContact O-CG2 3.49Å; N309-T313 PolarHBondContact O-N 3.44Å; N309-T313 PolarHBondContact O-OG1 3.37Å; E310-T313 PolarHBondContact O-N 3.39Å; E310-T313 PolarHBondContact O-OG1 2.81Å; T313-Q316 PolarHBondContact O-N 2.85Å; T313-S317 PolarHBondContact O-N 3.46Å |
| 314 | L | 93.8 | Very high | 94.8 | Very high | 107 Ų | 107 | 92.1 Ų | 92.1 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | 172 | -70.9 | 172.6 | 0 | 0 | 0 | 112.3 | E310 S317 V318 | E310-L314 WeakPolarHBondContact O-CB 3.43Å; E310-L314 VanDerWaalsContact O-CG 3.27Å; E310-L314 WeakPolarHBondContact O-CG 3.26Å; E310-L314 PolarHBondContact O-N 2.73Å; L314-S317 PolarHBondContact O-N 3.43Å; L314-S317 PolarHBondContact O-OG 2.83Å; L314-S317 VanDerWaalsContact O-OG 3.06Å; L314-V318 WeakPolarHBondContact O-CB 3.47Å; L314-V318 VanDerWaalsContact O-CG2 3.28Å; L314-V318 WeakPolarHBondContact O-CG2 3.24Å; L314-V318 PolarHBondContact O-N 3.48Å |
| 315 | Q | 95.1 | Very high | 94.9 | Very high | 124 Ų | 124 | 91 Ų | 91 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 171.2 | -76.1 | 171.5 | 8.1 | 0 | 0 | 111.1 | V311 A312 V318 T319 | V311-Q315 HydrophobicContact CG1-CG 4.49Å; V311-Q315 WeakPolarHBondContact O-CB 3.32Å; V311-Q315 WeakPolarHBondContact O-CG 3.48Å; V311-Q315 PolarHBondContact O-N 3.21Å; A312-Q315 PolarHBondContact O-N 2.95Å; Q315-V318 PolarHBondContact O-N 3.5Å; Q315-T319 WeakPolarHBondContact O-CG2 3.45Å; Q315-T319 PolarHBondContact O-N 3.24Å |
| 316 | Q | 94.9 | Very high | 95 | Very high | 126 Ų | 126 | 92.5 Ų | 92.5 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.3 | -47.5 | 176.2 | -72.4 | 172.8 | 19.5 | 0 | 0 | 112 | A312 T313 V318 T319 L320 | A312-Q316 VanDerWaalsContact O-CG 3.32Å; A312-Q316 WeakPolarHBondContact O-CG 3.24Å; A312-Q316 PolarHBondContact O-N 2.93Å; T313-Q316 PolarHBondContact O-N 2.85Å; Q316-V318 VanDerWaalsContact C-N 3.34Å; Q316-V318 PolarHBondContact O-N 3.44Å; Q316-T319 PolarHBondContact O-N 2.98Å; Q316-T319 VanDerWaalsContact O-N 3.13Å; Q316-T319 PolarHBondContact O-OG1 3.11Å; Q316-L320 PolarHBondContact O-N 3.48Å |
| 317 | S | 95.4 | Very high | 95.1 | Very high | 47 Ų | 47 | 95.5 Ų | 95.5 | 33% | 0.329 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 178.8 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | T313 L314 L320 L321 | T313-S317 PolarHBondContact O-N 3.46Å; L314-S317 PolarHBondContact O-N 3.43Å; L314-S317 PolarHBondContact O-OG 2.83Å; L314-S317 VanDerWaalsContact O-OG 3.06Å; S317-L320 PolarHBondContact O-N 2.92Å; S317-L321 WeakPolarHBondContact O-CG 3.44Å; S317-L321 PolarHBondContact O-N 2.93Å |
| 318 | V | 94.9 | Very high | 95.3 | Very high | 73 Ų | 73 | 95 Ų | 95 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 171.5 | 168 | 0 | 0 | 0 | 0 | 111.6 | L314 Q315 Q316 L320 L321 Q322 | L314-V318 WeakPolarHBondContact O-CB 3.47Å; L314-V318 VanDerWaalsContact O-CG2 3.28Å; L314-V318 WeakPolarHBondContact O-CG2 3.24Å; L314-V318 PolarHBondContact O-N 3.48Å; Q315-V318 PolarHBondContact O-N 3.5Å; Q316-V318 VanDerWaalsContact C-N 3.34Å; Q316-V318 PolarHBondContact O-N 3.44Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 2.7Å; V318-L321 PolarHBondContact O-N 3.08Å; V318-Q322 HydrophobicContact CG1-CG 4.46Å; V318-Q322 WeakPolarHBondContact O-CB 3.3Å; V318-Q322 VanDerWaalsContact O-CG 3.24Å; V318-Q322 WeakPolarHBondContact O-CG 3.34Å; V318-Q322 PolarHBondContact O-N 2.94Å |
| 319 | T | 95.4 | Very high | 95.4 | Very high | 61 Ų | 61 | 96.4 Ų | 96.4 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.1 | -26.1 | 176.7 | 65.9 | 0 | 0 | 0 | 0 | 114 | Q315 Q316 K323 | Q315-T319 WeakPolarHBondContact O-CG2 3.45Å; Q315-T319 PolarHBondContact O-N 3.24Å; Q316-T319 PolarHBondContact O-N 2.98Å; Q316-T319 VanDerWaalsContact O-N 3.13Å; Q316-T319 PolarHBondContact O-OG1 3.11Å; T319-K323 WeakPolarHBondContact O-CG 3.49Å; T319-K323 PolarHBondContact O-N 3.31Å |
| 320 | L | 95.8 | Very high | 95.5 | Very high | 100 Ų | 100 | 98.4 Ų | 98.4 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.4 | -51 | 171.7 | -69.2 | 174.2 | 0 | 0 | 0 | 110.6 | Q316 S317 V318 Q322 K323 D324 | Q316-L320 PolarHBondContact O-N 3.48Å; S317-L320 PolarHBondContact O-N 2.92Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 2.7Å; L320-Q322 PolarHBondContact O-N 2.92Å; L320-K323 WeakPolarHBondContact O-CA 3.26Å; L320-K323 WeakPolarHBondContact O-CB 3.38Å; L320-K323 PolarHBondContact O-N 2.89Å; L320-D324 PolarHBondContact O-N 3.17Å |
| 321 | L | 94.8 | Very high | 95.6 | Very high | 116 Ų | 116 | 97 Ų | 97 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.1 | -30.1 | 177.5 | -68.6 | 170.8 | 0 | 0 | 0 | 113 | S317 V318 K325 | S317-L321 WeakPolarHBondContact O-CG 3.44Å; S317-L321 PolarHBondContact O-N 2.93Å; V318-L321 PolarHBondContact O-N 3.08Å; L321-K325 VanDerWaalsContact O-CB 3.25Å; L321-K325 WeakPolarHBondContact O-CB 3.22Å; L321-K325 PolarHBondContact O-N 2.92Å |
| 322 | Q | 95.3 | Very high | 95.7 | Very high | 105 Ų | 105 | 97.8 Ų | 97.8 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 170.6 | -76.6 | 169.9 | -4.7 | 0 | 0 | 112.2 | V318 L320 K325 E326 | V318-Q322 HydrophobicContact CG1-CG 4.46Å; V318-Q322 WeakPolarHBondContact O-CB 3.3Å; V318-Q322 VanDerWaalsContact O-CG 3.24Å; V318-Q322 WeakPolarHBondContact O-CG 3.34Å; V318-Q322 PolarHBondContact O-N 2.94Å; L320-Q322 PolarHBondContact O-N 2.92Å; Q322-K325 PolarHBondContact O-N 3.41Å; Q322-E326 WeakPolarHBondContact O-CG 3.47Å; Q322-E326 PolarHBondContact O-N 3.09Å |
| 323 | K | 95.8 | Very high | 95.7 | Very high | 123 Ų | 123 | 101.8 Ų | 101.8 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 176.1 | -69.9 | 166.9 | -176.8 | 171.9 | 0 | 112 | T319 L320 E326 Y327 | T319-K323 WeakPolarHBondContact O-CG 3.49Å; T319-K323 PolarHBondContact O-N 3.31Å; L320-K323 WeakPolarHBondContact O-CA 3.26Å; L320-K323 WeakPolarHBondContact O-CB 3.38Å; L320-K323 PolarHBondContact O-N 2.89Å; K323-E326 PolarHBondContact O-N 3.38Å; K323-Y327 WeakPolarHBondContact O-CB 3.36Å; K323-Y327 PolarHBondContact O-N 2.64Å |
| 324 | D | 95.9 | Very high | 95.8 | Very high | 88 Ų | 88 | 102.5 Ų | 102.5 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 176.1 | -64 | -26.1 | 0 | 0 | 0 | 110.9 | L320 Y327 L328 | L320-D324 PolarHBondContact O-N 3.17Å; D324-Y327 PolarHBondContact O-N 3.02Å; D324-L328 WeakPolarHBondContact O-CB 3.46Å; D324-L328 VanDerWaalsContact O-CG 3.31Å; D324-L328 WeakPolarHBondContact O-CG 3.47Å; D324-L328 PolarHBondContact O-N 2.88Å |
| 325 | K | 96.5 | Very high | 95.9 | Very high | 138 Ų | 138 | 101.9 Ų | 101.9 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.8 | -43.1 | 172.3 | -177.7 | -178 | 178.8 | -177.9 | 0 | 112.1 | L321 Q322 N329 | L321-K325 VanDerWaalsContact O-CB 3.25Å; L321-K325 WeakPolarHBondContact O-CB 3.22Å; L321-K325 PolarHBondContact O-N 2.92Å; Q322-K325 PolarHBondContact O-N 3.41Å; K325-N329 VanDerWaalsContact O-CB 3.25Å; K325-N329 WeakPolarHBondContact O-CB 3.32Å; K325-N329 PolarHBondContact O-N 3.32Å; K325-N329 PolarHBondContact O-ND2 2.95Å |
| 326 | E | 96.6 | Very high | 96 | Very high | 93 Ų | 93 | 99.5 Ų | 99.5 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 174.2 | -79 | -178.3 | -154 | 0 | 0 | 112.4 | Q322 K323 N329 R330 | Q322-E326 WeakPolarHBondContact O-CG 3.47Å; Q322-E326 PolarHBondContact O-N 3.09Å; K323-E326 PolarHBondContact O-N 3.38Å; E326-N329 PolarHBondContact O-N 2.83Å; E326-R330 VanDerWaalsContact O-CG 3.31Å; E326-R330 WeakPolarHBondContact O-CG 3.49Å; E326-R330 PolarHBondContact O-N 2.91Å; E326-R330 IonicContact OE2-CZ 2.65Å; E326-R330 IonicContact OE2-NH1 2.67Å; E326-R330 IonicContact OE2-NH2 2.72Å; E326-R330 PolarHBondContact OE2-NH2 2.9Å |
| 327 | Y | 97.3 | Very high | 96.1 | Very high | 136 Ų | 136 | 97.3 Ų | 97.3 | 53% | 0.533 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -49.7 | 178.3 | 179.8 | -98.7 | 0 | 0 | 0 | 111.5 | K323 D324 N329 R330 Q331 | K323-Y327 WeakPolarHBondContact O-CB 3.36Å; K323-Y327 PolarHBondContact O-N 2.64Å; D324-Y327 PolarHBondContact O-N 3.02Å; Y327-N329 VanDerWaalsContact C-N 3.32Å; Y327-N329 PolarHBondContact O-N 3.35Å; Y327-R330 PolarHBondContact O-N 2.85Å; Y327-Q331 HydrophobicContact CD1-CG 4.46Å; Y327-Q331 HydrophobicContact CE1-CG 4.15Å; Y327-Q331 VanDerWaalsContact CE1-NE2 3.3Å; Y327-Q331 VanDerWaalsContact CZ-NE2 3.34Å; Y327-Q331 PolarHBondContact O-N 3.19Å; Y327-Q331 PolarHBondContact OH-NE2 2.85Å; Y327-Q331 VanDerWaalsContact OH-NE2 3.08Å |
| 328 | L | 96.4 | Very high | 96.2 | Very high | 91 Ų | 91 | 102 Ų | 102 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -35.3 | 176.1 | -68.3 | 171.4 | 0 | 0 | 0 | 112.1 | D324 Q331 N332 | D324-L328 WeakPolarHBondContact O-CB 3.46Å; D324-L328 VanDerWaalsContact O-CG 3.31Å; D324-L328 WeakPolarHBondContact O-CG 3.47Å; D324-L328 PolarHBondContact O-N 2.88Å; L328-Q331 PolarHBondContact O-N 3.41Å; L328-N332 WeakPolarHBondContact O-CB 3.28Å; L328-N332 PolarHBondContact O-N 3.3Å; L328-N332 PolarHBondContact O-ND2 3.08Å |
| 329 | N | 96 | Very high | 96.1 | Very high | 90 Ų | 90 | 101.8 Ų | 101.8 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 173.3 | -78.1 | -11.5 | 0 | 0 | 0 | 112.2 | K325 E326 Y327 N332 M333 | K325-N329 VanDerWaalsContact O-CB 3.25Å; K325-N329 WeakPolarHBondContact O-CB 3.32Å; K325-N329 PolarHBondContact O-N 3.32Å; K325-N329 PolarHBondContact O-ND2 2.95Å; E326-N329 PolarHBondContact O-N 2.83Å; Y327-N329 VanDerWaalsContact C-N 3.32Å; Y327-N329 PolarHBondContact O-N 3.35Å; N329-N332 PolarHBondContact O-N 2.83Å; N329-M333 WeakPolarHBondContact O-CB 3.15Å; N329-M333 PolarHBondContact O-N 3.17Å |
| 330 | R | 96.8 | Very high | 96.2 | Very high | 148 Ų | 148 | 101 Ų | 101 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 174.3 | -71.2 | 169.1 | -170.1 | 134.3 | 13.4 | 111 | E326 Y327 M333 E334 | E326-R330 VanDerWaalsContact O-CG 3.31Å; E326-R330 WeakPolarHBondContact O-CG 3.49Å; E326-R330 PolarHBondContact O-N 2.91Å; E326-R330 IonicContact OE2-CZ 2.65Å; E326-R330 IonicContact OE2-NH1 2.67Å; E326-R330 IonicContact OE2-NH2 2.72Å; E326-R330 PolarHBondContact OE2-NH2 2.9Å; Y327-R330 PolarHBondContact O-N 2.85Å; R330-M333 PolarHBondContact O-N 2.87Å; R330-E334 PolarHBondContact O-N 2.87Å |
| 331 | Q | 96.6 | Very high | 96.3 | Very high | 75 Ų | 75 | 102 Ų | 102 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 175.4 | -73.4 | -170.1 | -34.9 | 0 | 0 | 112.6 | Y327 L328 M333 E334 L335 | Y327-Q331 HydrophobicContact CD1-CG 4.46Å; Y327-Q331 HydrophobicContact CE1-CG 4.15Å; Y327-Q331 VanDerWaalsContact CE1-NE2 3.3Å; Y327-Q331 VanDerWaalsContact CZ-NE2 3.34Å; Y327-Q331 PolarHBondContact O-N 3.19Å; Y327-Q331 PolarHBondContact OH-NE2 2.85Å; Y327-Q331 VanDerWaalsContact OH-NE2 3.08Å; L328-Q331 PolarHBondContact O-N 3.41Å; Q331-M333 VanDerWaalsContact C-N 3.34Å; Q331-M333 PolarHBondContact O-N 3.16Å; Q331-E334 PolarHBondContact O-N 3.49Å; Q331-L335 WeakPolarHBondContact O-CB 3.44Å; Q331-L335 VanDerWaalsContact O-CG 3.31Å; Q331-L335 WeakPolarHBondContact O-CG 3.25Å; Q331-L335 PolarHBondContact O-N 3.36Å |
| 332 | N | 95.3 | Very high | 96.3 | Very high | 94 Ų | 94 | 101 Ų | 101 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 175.7 | -80.8 | -48.6 | 0 | 0 | 0 | 111.5 | L328 N329 L335 S336 | L328-N332 WeakPolarHBondContact O-CB 3.28Å; L328-N332 PolarHBondContact O-N 3.3Å; L328-N332 PolarHBondContact O-ND2 3.08Å; N329-N332 PolarHBondContact O-N 2.83Å; N332-L335 PolarHBondContact O-N 3.26Å; N332-S336 WeakPolarHBondContact O-CB 3.48Å; N332-S336 PolarHBondContact O-N 3.19Å; N332-S336 PolarHBondContact O-OG 2.92Å; N332-S336 VanDerWaalsContact O-OG 3.08Å |
| 333 | M | 96.4 | Very high | 96.3 | Very high | 119 Ų | 119 | 101.7 Ų | 101.7 | 59% | 0.586 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.7 | -43.9 | 176.3 | -170 | 66.9 | -175.2 | 0 | 0 | 112.1 | N329 R330 Q331 L335 S336 I337 | N329-M333 WeakPolarHBondContact O-CB 3.15Å; N329-M333 PolarHBondContact O-N 3.17Å; R330-M333 PolarHBondContact O-N 2.87Å; Q331-M333 VanDerWaalsContact C-N 3.34Å; Q331-M333 PolarHBondContact O-N 3.16Å; M333-L335 VanDerWaalsContact C-N 3.35Å; M333-L335 PolarHBondContact O-N 2.92Å; M333-S336 PolarHBondContact O-N 2.85Å; M333-I337 HydrophobicContact CE-CD1 4.11Å; M333-I337 HydrophobicContact CE-CG1 4.32Å; M333-I337 HydrophobicContact CG-CD1 4.09Å; M333-I337 VanDerWaalsContact O-CG1 3.25Å; M333-I337 WeakPolarHBondContact O-CG1 3.2Å; M333-I337 PolarHBondContact O-N 3.37Å |
| 334 | E | 96.8 | Very high | 96.4 | Very high | 98 Ų | 98 | 99.8 Ų | 99.8 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60 | -43 | 173.6 | -79.5 | -170.6 | -130.5 | 0 | 0 | 112.4 | R330 Q331 I337 R338 | R330-E334 PolarHBondContact O-N 2.87Å; Q331-E334 PolarHBondContact O-N 3.49Å; E334-I337 PolarHBondContact O-N 2.92Å; E334-R338 WeakPolarHBondContact O-CB 3.34Å; E334-R338 WeakPolarHBondContact O-CG 3.28Å; E334-R338 PolarHBondContact O-N 2.97Å; E334-R338 IonicContact OE2-CZ 3.54Å; E334-R338 IonicContact OE2-NE 3.65Å; E334-R338 IonicContact OE2-NH2 2.69Å; E334-R338 PolarHBondContact OE2-NH2 3.48Å |
| 335 | L | 95.5 | Very high | 96.5 | Very high | 95 Ų | 95 | 102.6 Ų | 102.6 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 177.7 | -71 | 172.7 | 0 | 0 | 0 | 111.3 | Q331 N332 M333 I337 R338 C339 | Q331-L335 WeakPolarHBondContact O-CB 3.44Å; Q331-L335 VanDerWaalsContact O-CG 3.31Å; Q331-L335 WeakPolarHBondContact O-CG 3.25Å; Q331-L335 PolarHBondContact O-N 3.36Å; N332-L335 PolarHBondContact O-N 3.26Å; M333-L335 VanDerWaalsContact C-N 3.35Å; M333-L335 PolarHBondContact O-N 2.92Å; L335-I337 VanDerWaalsContact C-N 3.35Å; L335-I337 PolarHBondContact O-N 2.7Å; L335-R338 CarbonylContact O-C 3.57Å; L335-R338 PolarHBondContact O-N 3.28Å; L335-R338 VanDerWaalsContact O-N 3.13Å; L335-C339 PolarHBondContact O-N 2.91Å; L335-C339 PolarHBondContact O-SG 3.19Å; L335-C339 VanDerWaalsContact O-SG 3.35Å |
| 336 | S | 97.1 | Very high | 96.5 | Very high | 74 Ų | 74 | 99.5 Ų | 99.5 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | N332 M333 C339 A340 | N332-S336 WeakPolarHBondContact O-CB 3.48Å; N332-S336 PolarHBondContact O-N 3.19Å; N332-S336 PolarHBondContact O-OG 2.92Å; N332-S336 VanDerWaalsContact O-OG 3.08Å; M333-S336 PolarHBondContact O-N 2.85Å; S336-C339 PolarHBondContact O-N 3.14Å; S336-A340 PolarHBondContact O-N 3.25Å |
| 337 | I | 97.3 | Very high | 96.5 | Very high | 79 Ų | 79 | 99.5 Ų | 99.5 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.5 | -68.3 | 165.2 | 0 | 0 | 0 | 110.6 | M333 E334 L335 H341 | M333-I337 HydrophobicContact CE-CD1 4.11Å; M333-I337 HydrophobicContact CE-CG1 4.32Å; M333-I337 HydrophobicContact CG-CD1 4.09Å; M333-I337 VanDerWaalsContact O-CG1 3.25Å; M333-I337 WeakPolarHBondContact O-CG1 3.2Å; M333-I337 PolarHBondContact O-N 3.37Å; E334-I337 PolarHBondContact O-N 2.92Å; L335-I337 VanDerWaalsContact C-N 3.35Å; L335-I337 PolarHBondContact O-N 2.7Å; I337-H341 PolarHBondContact O-N 2.78Å; I337-H341 PolarHBondContact O-ND1 2.93Å |
| 338 | R | 97 | Very high | 96.5 | Very high | 146 Ų | 146 | 100.5 Ų | 100.5 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.5 | -38.5 | 177.7 | -70.4 | 170 | -160.2 | -155.8 | 10 | 112.4 | E334 L335 H341 Q342 | E334-R338 WeakPolarHBondContact O-CB 3.34Å; E334-R338 WeakPolarHBondContact O-CG 3.28Å; E334-R338 PolarHBondContact O-N 2.97Å; E334-R338 IonicContact OE2-CZ 3.54Å; E334-R338 IonicContact OE2-NE 3.65Å; E334-R338 IonicContact OE2-NH2 2.69Å; E334-R338 PolarHBondContact OE2-NH2 3.48Å; L335-R338 CarbonylContact O-C 3.57Å; L335-R338 PolarHBondContact O-N 3.28Å; L335-R338 VanDerWaalsContact O-N 3.13Å; R338-H341 PolarHBondContact O-N 3.3Å; R338-Q342 PolarHBondContact O-N 3.41Å; R338-Q342 VanDerWaalsContact O-N 3.09Å |
| 339 | C | 94.3 | Very high | 96.5 | Very high | 69 Ų | 69 | 100.6 Ų | 100.6 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60 | -54.8 | 173.2 | -73.3 | 0 | 0 | 0 | 0 | 110.5 | L335 S336 H341 Q342 E343 | L335-C339 PolarHBondContact O-N 2.91Å; L335-C339 PolarHBondContact O-SG 3.19Å; L335-C339 VanDerWaalsContact O-SG 3.35Å; S336-C339 PolarHBondContact O-N 3.14Å; C339-H341 PolarHBondContact O-N 2.79Å; C339-Q342 WeakPolarHBondContact O-CA 3.47Å; C339-Q342 PolarHBondContact O-N 3.28Å; C339-E343 WeakPolarHBondContact O-CG 3.2Å; C339-E343 PolarHBondContact O-N 2.99Å |
| 340 | A | 96.6 | Very high | 96.5 | Very high | 43 Ų | 43 | 101.3 Ų | 101.3 | 36% | 0.355 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -54.4 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S336 Q342 E343 D344 | S336-A340 PolarHBondContact O-N 3.25Å; A340-Q342 PolarHBondContact O-N 3.02Å; A340-E343 PolarHBondContact O-N 2.91Å; A340-D344 WeakPolarHBondContact O-CB 3.38Å; A340-D344 PolarHBondContact O-N 3.35Å |
| 341 | H | 97.2 | Very high | 96.6 | Very high | 121 Ų | 121 | 98.3 Ų | 98.3 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.5 | -26.8 | 175.6 | -79.4 | 74.8 | 0 | 0 | 0 | 114.6 | I337 R338 C339 R345 | I337-H341 PolarHBondContact O-N 2.78Å; I337-H341 PolarHBondContact O-ND1 2.93Å; R338-H341 PolarHBondContact O-N 3.3Å; C339-H341 PolarHBondContact O-N 2.79Å; H341-R345 WeakPolarHBondContact O-CB 3.24Å; H341-R345 PolarHBondContact O-N 2.89Å |
| 342 | Q | 95.3 | Very high | 96.6 | Very high | 96 Ų | 96 | 100.6 Ų | 100.6 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -82.2 | -32.6 | 171.5 | -62.9 | -45.9 | -57.4 | 0 | 0 | 111.9 | R338 C339 A340 R345 V346 | R338-Q342 PolarHBondContact O-N 3.41Å; R338-Q342 VanDerWaalsContact O-N 3.09Å; C339-Q342 WeakPolarHBondContact O-CA 3.47Å; C339-Q342 PolarHBondContact O-N 3.28Å; A340-Q342 PolarHBondContact O-N 3.02Å; Q342-R345 WeakPolarHBondContact O-CB 3.44Å; Q342-R345 PolarHBondContact O-N 2.66Å; Q342-V346 WeakPolarHBondContact O-CB 3.35Å; Q342-V346 VanDerWaalsContact O-CG2 3.31Å; Q342-V346 WeakPolarHBondContact O-CG2 3.5Å; Q342-V346 PolarHBondContact O-N 2.74Å |
| 343 | E | 96.4 | Very high | 96.6 | Very high | 119 Ų | 119 | 100.4 Ų | 100.4 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -53 | 172.1 | -70.5 | 159.1 | -175 | 0 | 0 | 110.1 | C339 A340 R345 V346 D347 | C339-E343 WeakPolarHBondContact O-CG 3.2Å; C339-E343 PolarHBondContact O-N 2.99Å; A340-E343 PolarHBondContact O-N 2.91Å; E343-R345 PolarHBondContact O-N 3.07Å; E343-R345 VanDerWaalsContact O-N 3.12Å; E343-V346 WeakPolarHBondContact O-CB 3.48Å; E343-V346 PolarHBondContact O-N 2.96Å; E343-D347 PolarHBondContact O-N 2.64Å |
| 344 | D | 97.8 | Very high | 96.6 | Very high | 83 Ų | 83 | 98.5 Ų | 98.5 | 44% | 0.444 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -50.8 | -38.2 | 171.9 | -116.2 | 51.2 | 0 | 0 | 0 | 112.8 | A340 R348 | A340-D344 WeakPolarHBondContact O-CB 3.38Å; A340-D344 PolarHBondContact O-N 3.35Å; D344-R348 WeakPolarHBondContact O-CB 3.4Å; D344-R348 WeakPolarHBondContact O-CD 3.47Å; D344-R348 WeakPolarHBondContact O-CG 3.41Å; D344-R348 PolarHBondContact O-N 3.34Å; D344-R348 PolarHBondContact O-NE 3.36Å; D344-R348 IonicContact OD2-CZ 2.66Å; D344-R348 IonicContact OD2-NE 2.64Å; D344-R348 IonicContact OD2-NH2 2.74Å; D344-R348 PolarHBondContact OD2-NH2 2.95Å |
| 345 | R | 97.6 | Very high | 96.7 | Very high | 148 Ų | 148 | 97.8 Ų | 97.8 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.4 | -39.9 | 179.2 | -178.6 | -174.1 | 177.4 | -159.5 | 0.8 | 111.9 | H341 Q342 E343 L349 | H341-R345 WeakPolarHBondContact O-CB 3.24Å; H341-R345 PolarHBondContact O-N 2.89Å; Q342-R345 WeakPolarHBondContact O-CB 3.44Å; Q342-R345 PolarHBondContact O-N 2.66Å; E343-R345 PolarHBondContact O-N 3.07Å; E343-R345 VanDerWaalsContact O-N 3.12Å; R345-L349 HydrophobicContact CG-CD1 4.16Å; R345-L349 WeakPolarHBondContact O-CB 3.38Å; R345-L349 VanDerWaalsContact O-CG 3.26Å; R345-L349 WeakPolarHBondContact O-CG 3.27Å; R345-L349 PolarHBondContact O-N 2.93Å |
| 346 | V | 95.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 97.5 Ų | 97.5 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 175.5 | 159.9 | 0 | 0 | 0 | 0 | 109.9 | Q342 E343 L349 Q350 | Q342-V346 WeakPolarHBondContact O-CB 3.35Å; Q342-V346 VanDerWaalsContact O-CG2 3.31Å; Q342-V346 WeakPolarHBondContact O-CG2 3.5Å; Q342-V346 PolarHBondContact O-N 2.74Å; E343-V346 WeakPolarHBondContact O-CB 3.48Å; E343-V346 PolarHBondContact O-N 2.96Å; V346-L349 CarbonylContact O-C 3.54Å; V346-L349 PolarHBondContact O-N 3.46Å; V346-Q350 HydrophobicContact CG1-CG 4.47Å; V346-Q350 VanDerWaalsContact CG1-NE2 3.29Å; V346-Q350 WeakPolarHBondContact O-CG 3.42Å; V346-Q350 PolarHBondContact O-N 2.8Å |
| 347 | D | 97.2 | Very high | 96.7 | Very high | 93 Ų | 93 | 97.2 Ų | 97.2 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 179.1 | -73.9 | -2.3 | 0 | 0 | 0 | 112 | E343 L349 Q350 V351 | E343-D347 PolarHBondContact O-N 2.64Å; D347-L349 VanDerWaalsContact C-N 3.3Å; D347-L349 PolarHBondContact O-N 2.88Å; D347-Q350 PolarHBondContact O-N 3.06Å; D347-V351 WeakPolarHBondContact O-CG2 3.3Å; D347-V351 PolarHBondContact O-N 2.93Å |
| 348 | R | 97.2 | Very high | 96.7 | Very high | 158 Ų | 158 | 98.3 Ų | 98.3 | 60% | 0.596 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.5 | -39.3 | 172.8 | -68.9 | 164.5 | -158.2 | -153.6 | 7.4 | 112.2 | D344 Q352 | D344-R348 WeakPolarHBondContact O-CB 3.4Å; D344-R348 WeakPolarHBondContact O-CD 3.47Å; D344-R348 WeakPolarHBondContact O-CG 3.41Å; D344-R348 PolarHBondContact O-N 3.34Å; D344-R348 PolarHBondContact O-NE 3.36Å; D344-R348 IonicContact OD2-CZ 2.66Å; D344-R348 IonicContact OD2-NE 2.64Å; D344-R348 IonicContact OD2-NH2 2.74Å; D344-R348 PolarHBondContact OD2-NH2 2.95Å; R348-Q352 VanDerWaalsContact O-CG 3.31Å; R348-Q352 WeakPolarHBondContact O-CG 3.46Å; R348-Q352 PolarHBondContact O-N 3.33Å; R348-Q352 VanDerWaalsContact O-N 3.1Å |
| 349 | L | 95.8 | Very high | 96.7 | Very high | 93 Ų | 93 | 93.9 Ų | 93.9 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.6 | -34.6 | 176.2 | -72.9 | 169.3 | 0 | 0 | 0 | 112.4 | R345 V346 D347 Q352 L353 | R345-L349 HydrophobicContact CG-CD1 4.16Å; R345-L349 WeakPolarHBondContact O-CB 3.38Å; R345-L349 VanDerWaalsContact O-CG 3.26Å; R345-L349 WeakPolarHBondContact O-CG 3.27Å; R345-L349 PolarHBondContact O-N 2.93Å; V346-L349 CarbonylContact O-C 3.54Å; V346-L349 PolarHBondContact O-N 3.46Å; D347-L349 VanDerWaalsContact C-N 3.3Å; D347-L349 PolarHBondContact O-N 2.88Å; L349-Q352 PolarHBondContact O-N 3.37Å; L349-L353 WeakPolarHBondContact O-CB 3.34Å; L349-L353 PolarHBondContact O-N 2.85Å |
| 350 | Q | 97 | Very high | 96.9 | Very high | 104 Ų | 104 | 97.9 Ų | 97.9 | 49% | 0.486 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 172.4 | -73.9 | -177.8 | 51.6 | 0 | 0 | 111.3 | V346 D347 Q352 L353 E354 | V346-Q350 HydrophobicContact CG1-CG 4.47Å; V346-Q350 VanDerWaalsContact CG1-NE2 3.29Å; V346-Q350 WeakPolarHBondContact O-CG 3.42Å; V346-Q350 PolarHBondContact O-N 2.8Å; D347-Q350 PolarHBondContact O-N 3.06Å; Q350-Q352 PolarHBondContact O-N 2.97Å; Q350-L353 WeakPolarHBondContact O-CB 3.26Å; Q350-L353 PolarHBondContact O-N 3.29Å; Q350-L353 VanDerWaalsContact O-N 3.13Å; Q350-E354 PolarHBondContact O-N 3.45Å |
| 351 | V | 97.9 | Very high | 96.9 | Very high | 86 Ų | 86 | 99.9 Ų | 99.9 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 176 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | D347 L353 E354 D355 | D347-V351 WeakPolarHBondContact O-CG2 3.3Å; D347-V351 PolarHBondContact O-N 2.93Å; V351-L353 VanDerWaalsContact C-N 3.31Å; V351-L353 PolarHBondContact O-N 3.46Å; V351-E354 PolarHBondContact O-N 2.85Å; V351-D355 WeakPolarHBondContact O-CB 3.23Å; V351-D355 PolarHBondContact O-N 3.43Å |
| 352 | Q | 96.8 | Very high | 96.9 | Very high | 122 Ų | 122 | 98 Ų | 98 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.9 | -35.7 | 175.2 | -72.5 | 174.7 | -0.1 | 0 | 0 | 112.9 | R348 L349 Q350 T356 | R348-Q352 VanDerWaalsContact O-CG 3.31Å; R348-Q352 WeakPolarHBondContact O-CG 3.46Å; R348-Q352 PolarHBondContact O-N 3.33Å; R348-Q352 VanDerWaalsContact O-N 3.1Å; L349-Q352 PolarHBondContact O-N 3.37Å; Q350-Q352 PolarHBondContact O-N 2.97Å; Q352-T356 WeakPolarHBondContact O-CB 3.42Å; Q352-T356 WeakPolarHBondContact O-CG2 3.46Å; Q352-T356 PolarHBondContact O-N 3.43Å; Q352-T356 PolarHBondContact O-OG1 3.38Å |
| 353 | L | 95.2 | Very high | 96.9 | Very high | 91 Ų | 91 | 97.6 Ų | 97.6 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 174.9 | 179.7 | 61.9 | 0 | 0 | 0 | 112 | L349 Q350 V351 T356 K357 | L349-L353 WeakPolarHBondContact O-CB 3.34Å; L349-L353 PolarHBondContact O-N 2.85Å; Q350-L353 WeakPolarHBondContact O-CB 3.26Å; Q350-L353 PolarHBondContact O-N 3.29Å; Q350-L353 VanDerWaalsContact O-N 3.13Å; V351-L353 VanDerWaalsContact C-N 3.31Å; V351-L353 PolarHBondContact O-N 3.46Å; L353-T356 WeakPolarHBondContact CA-OG1 3.22Å; L353-T356 PolarHBondContact O-OG1 3.16Å; L353-T356 VanDerWaalsContact O-OG1 3.06Å; L353-K357 HydrophobicContact CG-CD 4.4Å; L353-K357 WeakPolarHBondContact O-CB 3.34Å; L353-K357 WeakPolarHBondContact O-CD 3.44Å; L353-K357 VanDerWaalsContact O-CG 3.26Å; L353-K357 WeakPolarHBondContact O-CG 3.42Å; L353-K357 PolarHBondContact O-N 2.88Å |
| 354 | E | 97.7 | Very high | 96.9 | Very high | 79 Ų | 79 | 99 Ų | 99 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.8 | -37.9 | 176.5 | -62.9 | -42.3 | 126.7 | 0 | 0 | 112.4 | Q350 V351 K357 K358 | Q350-E354 PolarHBondContact O-N 3.45Å; V351-E354 PolarHBondContact O-N 2.85Å; E354-K357 VanDerWaalsContact CD-NZ 3.32Å; E354-K357 PolarHBondContact O-N 2.83Å; E354-K357 IonicContact OE1-NZ 3.13Å; E354-K357 PolarHBondContact OE1-NZ 3.24Å; E354-K357 WeakPolarHBondContact OE2-CD 3.48Å; E354-K357 IonicContact OE2-NZ 3.98Å; E354-K357 PolarHBondContact OE2-NZ 2.89Å; E354-K358 WeakPolarHBondContact O-CB 3.35Å; E354-K358 WeakPolarHBondContact O-CE 3.3Å; E354-K358 WeakPolarHBondContact O-CG 3.2Å; E354-K358 PolarHBondContact O-N 2.86Å |
| 355 | D | 97.7 | Very high | 96.9 | Very high | 82 Ų | 82 | 101 Ų | 101 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.6 | -33 | 177.8 | -70.8 | -18.1 | 0 | 0 | 0 | 112.4 | V351 K358 A359 | V351-D355 WeakPolarHBondContact O-CB 3.23Å; V351-D355 PolarHBondContact O-N 3.43Å; D355-K358 IonicContact OD1-NZ 2.7Å; D355-K358 PolarHBondContact OD1-NZ 3.06Å; D355-A359 VanDerWaalsContact O-CB 3.28Å; D355-A359 WeakPolarHBondContact O-CB 3.45Å; D355-A359 PolarHBondContact O-N 3.45Å |
| 356 | T | 96.3 | Very high | 96.9 | Very high | 90 Ų | 90 | 100.9 Ų | 100.9 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -72.1 | -34.8 | 171.4 | 50 | 0 | 0 | 0 | 0 | 112.9 | Q352 L353 A359 R360 | Q352-T356 WeakPolarHBondContact O-CB 3.42Å; Q352-T356 WeakPolarHBondContact O-CG2 3.46Å; Q352-T356 PolarHBondContact O-N 3.43Å; Q352-T356 PolarHBondContact O-OG1 3.38Å; L353-T356 WeakPolarHBondContact CA-OG1 3.22Å; L353-T356 PolarHBondContact O-OG1 3.16Å; L353-T356 VanDerWaalsContact O-OG1 3.06Å; T356-A359 PolarHBondContact O-N 3.17Å; T356-R360 WeakPolarHBondContact O-CB 3.34Å; T356-R360 PolarHBondContact O-N 2.92Å |
| 357 | K | 97.5 | Very high | 96.9 | Very high | 67 Ų | 67 | 104 Ų | 104 | 29% | 0.291 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -53.4 | 168.2 | -75.8 | 163.7 | 175.4 | 175.9 | 0 | 111.3 | L353 E354 A359 R360 E361 | L353-K357 HydrophobicContact CG-CD 4.4Å; L353-K357 WeakPolarHBondContact O-CB 3.34Å; L353-K357 WeakPolarHBondContact O-CD 3.44Å; L353-K357 VanDerWaalsContact O-CG 3.26Å; L353-K357 WeakPolarHBondContact O-CG 3.42Å; L353-K357 PolarHBondContact O-N 2.88Å; E354-K357 VanDerWaalsContact CD-NZ 3.32Å; E354-K357 PolarHBondContact O-N 2.83Å; E354-K357 IonicContact OE1-NZ 3.13Å; E354-K357 PolarHBondContact OE1-NZ 3.24Å; E354-K357 WeakPolarHBondContact OE2-CD 3.48Å; E354-K357 IonicContact OE2-NZ 3.98Å; E354-K357 PolarHBondContact OE2-NZ 2.89Å; K357-A359 VanDerWaalsContact C-N 3.31Å; K357-A359 PolarHBondContact O-N 3.29Å; K357-R360 WeakPolarHBondContact O-CB 3.26Å; K357-R360 PolarHBondContact O-N 3.35Å; K357-R360 VanDerWaalsContact O-N 3.12Å; K357-E361 VanDerWaalsContact O-CD 3.23Å; K357-E361 PolarHBondContact O-N 3.01Å |
| 358 | K | 97.3 | Very high | 96.9 | Very high | 103 Ų | 103 | 101.3 Ų | 101.3 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.2 | -43.3 | 176.1 | -68.3 | 165.1 | -149.1 | 160.4 | 0 | 111.6 | E354 D355 R360 E361 N362 | E354-K358 WeakPolarHBondContact O-CB 3.35Å; E354-K358 WeakPolarHBondContact O-CE 3.3Å; E354-K358 WeakPolarHBondContact O-CG 3.2Å; E354-K358 PolarHBondContact O-N 2.86Å; D355-K358 IonicContact OD1-NZ 2.7Å; D355-K358 PolarHBondContact OD1-NZ 3.06Å; K358-R360 VanDerWaalsContact C-N 3.35Å; K358-R360 PolarHBondContact O-N 3.37Å; K358-E361 PolarHBondContact O-N 2.91Å; K358-N362 WeakPolarHBondContact O-CB 3.43Å; K358-N362 PolarHBondContact O-N 3.22Å; K358-N362 PolarHBondContact O-ND2 2.9Å |
| 359 | A | 96.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 96.8 Ų | 96.8 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D355 T356 K357 T363 | D355-A359 VanDerWaalsContact O-CB 3.28Å; D355-A359 WeakPolarHBondContact O-CB 3.45Å; D355-A359 PolarHBondContact O-N 3.45Å; T356-A359 PolarHBondContact O-N 3.17Å; K357-A359 VanDerWaalsContact C-N 3.31Å; K357-A359 PolarHBondContact O-N 3.29Å; A359-T363 WeakPolarHBondContact O-CG2 3.34Å; A359-T363 PolarHBondContact O-N 3.41Å; A359-T363 VanDerWaalsContact O-N 3.08Å; A359-T363 PolarHBondContact O-OG1 3.3Å |
| 360 | R | 97.1 | Very high | 96.9 | Very high | 153 Ų | 153 | 94.8 Ų | 94.8 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.3 | -40.3 | 173.8 | 176.9 | -160.9 | 66.8 | 169.2 | -0.2 | 112.5 | T356 K357 K358 T363 Y364 | T356-R360 WeakPolarHBondContact O-CB 3.34Å; T356-R360 PolarHBondContact O-N 2.92Å; K357-R360 WeakPolarHBondContact O-CB 3.26Å; K357-R360 PolarHBondContact O-N 3.35Å; K357-R360 VanDerWaalsContact O-N 3.12Å; K358-R360 VanDerWaalsContact C-N 3.35Å; K358-R360 PolarHBondContact O-N 3.37Å; R360-T363 PolarHBondContact O-N 3.03Å; R360-T363 PolarHBondContact O-OG1 2.94Å; R360-T363 VanDerWaalsContact O-OG1 3.04Å; R360-Y364 WeakPolarHBondContact O-CB 3.37Å; R360-Y364 PolarHBondContact O-N 3.21Å |
| 361 | E | 97.2 | Very high | 96.9 | Very high | 85 Ų | 85 | 94.9 Ų | 94.9 | 40% | 0.397 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 175.2 | -81 | 129.3 | -137 | 0 | 0 | 111 | K357 K358 T363 Y364 E365 | K357-E361 VanDerWaalsContact O-CD 3.23Å; K357-E361 PolarHBondContact O-N 3.01Å; K358-E361 PolarHBondContact O-N 2.91Å; E361-T363 VanDerWaalsContact C-N 3.29Å; E361-T363 PolarHBondContact O-N 2.89Å; E361-Y364 PolarHBondContact O-N 2.86Å; E361-Y364 VanDerWaalsContact O-N 3.11Å; E361-E365 WeakPolarHBondContact O-CG 3.46Å; E361-E365 PolarHBondContact O-N 3.01Å |
| 362 | N | 96.9 | Very high | 96.9 | Very high | 81 Ų | 81 | 93.6 Ų | 93.6 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.9 | -33.9 | 175 | -80.5 | -68.9 | 0 | 0 | 0 | 113.6 | K358 K366 | K358-N362 WeakPolarHBondContact O-CB 3.43Å; K358-N362 PolarHBondContact O-N 3.22Å; K358-N362 PolarHBondContact O-ND2 2.9Å; N362-K366 WeakPolarHBondContact O-CD 3.15Å; N362-K366 VanDerWaalsContact O-CG 3.24Å; N362-K366 WeakPolarHBondContact O-CG 3.45Å; N362-K366 PolarHBondContact O-N 2.95Å |
| 363 | T | 96.1 | Very high | 96.9 | Very high | 88 Ų | 88 | 94.2 Ų | 94.2 | 54% | 0.54 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -78.6 | -35 | 174.5 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | A359 R360 E361 K366 Y367 | A359-T363 WeakPolarHBondContact O-CG2 3.34Å; A359-T363 PolarHBondContact O-N 3.41Å; A359-T363 VanDerWaalsContact O-N 3.08Å; A359-T363 PolarHBondContact O-OG1 3.3Å; R360-T363 PolarHBondContact O-N 3.03Å; R360-T363 PolarHBondContact O-OG1 2.94Å; R360-T363 VanDerWaalsContact O-OG1 3.04Å; E361-T363 VanDerWaalsContact C-N 3.29Å; E361-T363 PolarHBondContact O-N 2.89Å; T363-K366 PolarHBondContact O-N 2.83Å; T363-Y367 WeakPolarHBondContact O-CB 3.41Å; T363-Y367 PolarHBondContact O-N 2.86Å |
| 364 | Y | 96.8 | Very high | 96.9 | Very high | 147 Ų | 147 | 96.7 Ų | 96.7 | 58% | 0.576 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 173.4 | -170.5 | -99.5 | 0 | 0 | 0 | 112.2 | R360 E361 Y367 V368 | R360-Y364 WeakPolarHBondContact O-CB 3.37Å; R360-Y364 PolarHBondContact O-N 3.21Å; E361-Y364 PolarHBondContact O-N 2.86Å; E361-Y364 VanDerWaalsContact O-N 3.11Å; Y364-Y367 PolarHBondContact O-N 3.03Å; Y364-V368 HydrophobicContact CD1-CG2 3.95Å; Y364-V368 HydrophobicContact CE1-CG2 3.54Å; Y364-V368 HydrophobicContact CE2-CG2 4.47Å; Y364-V368 WeakPolarHBondContact O-CG2 3.47Å; Y364-V368 PolarHBondContact O-N 2.93Å |
| 365 | E | 97 | Very high | 97 | Very high | 126 Ų | 126 | 98.5 Ų | 98.5 | 59% | 0.589 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.7 | -44.6 | 173.9 | -74.5 | -177.5 | 171.9 | 0 | 0 | 111.7 | E361 Y367 V368 A369 | E361-E365 WeakPolarHBondContact O-CG 3.46Å; E361-E365 PolarHBondContact O-N 3.01Å; E365-Y367 VanDerWaalsContact C-N 3.34Å; E365-Y367 PolarHBondContact O-N 3.14Å; E365-V368 PolarHBondContact O-N 3.29Å; E365-A369 VanDerWaalsContact O-CB 3.25Å; E365-A369 WeakPolarHBondContact O-CB 3.49Å; E365-A369 PolarHBondContact O-N 2.86Å |
| 366 | K | 97.3 | Very high | 96.9 | Very high | 146 Ų | 146 | 97.8 Ų | 97.8 | 64% | 0.635 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63 | -38 | 174.6 | -72.8 | 169.5 | -174.8 | 177.4 | 0 | 112.7 | N362 T363 S370 | N362-K366 WeakPolarHBondContact O-CD 3.15Å; N362-K366 VanDerWaalsContact O-CG 3.24Å; N362-K366 WeakPolarHBondContact O-CG 3.45Å; N362-K366 PolarHBondContact O-N 2.95Å; T363-K366 PolarHBondContact O-N 2.83Å; K366-S370 WeakPolarHBondContact O-CB 3.42Å; K366-S370 PolarHBondContact O-N 3.07Å; K366-S370 PolarHBondContact O-OG 3.34Å |
| 367 | Y | 97 | Very high | 97 | Very high | 138 Ų | 138 | 96.7 Ų | 96.7 | 54% | 0.541 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 173.3 | 171.1 | -100.6 | 0 | 0 | 0 | 112.3 | T363 Y364 E365 S370 R371 | T363-Y367 WeakPolarHBondContact O-CB 3.41Å; T363-Y367 PolarHBondContact O-N 2.86Å; Y364-Y367 PolarHBondContact O-N 3.03Å; E365-Y367 VanDerWaalsContact C-N 3.34Å; E365-Y367 PolarHBondContact O-N 3.14Å; Y367-S370 PolarHBondContact O-OG 3.45Å; Y367-S370 VanDerWaalsContact O-OG 3.1Å; Y367-R371 VanDerWaalsContact O-CB 3.23Å; Y367-R371 WeakPolarHBondContact O-CB 3.33Å; Y367-R371 PolarHBondContact O-N 2.94Å |
| 368 | V | 97.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 101.5 Ų | 101.5 | 21% | 0.212 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 176.9 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | Y364 E365 S370 R371 D372 | Y364-V368 HydrophobicContact CD1-CG2 3.95Å; Y364-V368 HydrophobicContact CE1-CG2 3.54Å; Y364-V368 HydrophobicContact CE2-CG2 4.47Å; Y364-V368 WeakPolarHBondContact O-CG2 3.47Å; Y364-V368 PolarHBondContact O-N 2.93Å; E365-V368 PolarHBondContact O-N 3.29Å; V368-S370 PolarHBondContact O-N 3.24Å; V368-R371 PolarHBondContact O-N 2.84Å; V368-D372 WeakPolarHBondContact CG1-OD2 3.37Å; V368-D372 VanDerWaalsContact O-CB 3.31Å; V368-D372 WeakPolarHBondContact O-CB 3.48Å; V368-D372 VanDerWaalsContact O-CG 3.26Å; V368-D372 PolarHBondContact O-N 2.9Å |
| 369 | A | 97 | Very high | 96.9 | Very high | 63 Ų | 63 | 99.9 Ų | 99.9 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E365 Y373 | E365-A369 VanDerWaalsContact O-CB 3.25Å; E365-A369 WeakPolarHBondContact O-CB 3.49Å; E365-A369 PolarHBondContact O-N 2.86Å; A369-Y373 VanDerWaalsContact O-CB 3.25Å; A369-Y373 WeakPolarHBondContact O-CB 3.25Å; A369-Y373 PolarHBondContact O-N 2.85Å |
| 370 | S | 95.4 | Very high | 97 | Very high | 51 Ų | 51 | 99.5 Ų | 99.5 | 36% | 0.357 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 176.2 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | K366 Y367 V368 D372 Y373 Y374 | K366-S370 WeakPolarHBondContact O-CB 3.42Å; K366-S370 PolarHBondContact O-N 3.07Å; K366-S370 PolarHBondContact O-OG 3.34Å; Y367-S370 PolarHBondContact O-OG 3.45Å; Y367-S370 VanDerWaalsContact O-OG 3.1Å; V368-S370 PolarHBondContact O-N 3.24Å; S370-D372 VanDerWaalsContact C-N 3.34Å; S370-D372 PolarHBondContact O-N 2.91Å; S370-Y373 PolarHBondContact O-N 3.24Å; S370-Y374 WeakPolarHBondContact O-CD2 3.47Å; S370-Y374 PolarHBondContact O-N 3.25Å |
| 371 | R | 97.6 | Very high | 97 | Very high | 107 Ų | 107 | 96.8 Ų | 96.8 | 40% | 0.404 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57 | -46.8 | 172.5 | -177.2 | -159.2 | 71 | -162 | -4.5 | 111.5 | Y367 V368 Y374 K375 | Y367-R371 VanDerWaalsContact O-CB 3.23Å; Y367-R371 WeakPolarHBondContact O-CB 3.33Å; Y367-R371 PolarHBondContact O-N 2.94Å; V368-R371 PolarHBondContact O-N 2.84Å; R371-Y374 PolarHBondContact O-N 2.96Å; R371-K375 VanDerWaalsContact O-CB 3.3Å; R371-K375 WeakPolarHBondContact O-CB 3.43Å; R371-K375 PolarHBondContact O-N 3.44Å |
| 372 | D | 96.9 | Very high | 96.9 | Very high | 59 Ų | 59 | 97.4 Ų | 97.4 | 32% | 0.316 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -76.5 | -29.2 | -175.6 | -67.6 | -13 | 0 | 0 | 0 | 111.9 | V368 S370 S376 | V368-D372 WeakPolarHBondContact CG1-OD2 3.37Å; V368-D372 VanDerWaalsContact O-CB 3.31Å; V368-D372 WeakPolarHBondContact O-CB 3.48Å; V368-D372 VanDerWaalsContact O-CG 3.26Å; V368-D372 PolarHBondContact O-N 2.9Å; S370-D372 VanDerWaalsContact C-N 3.34Å; S370-D372 PolarHBondContact O-N 2.91Å; D372-S376 VanDerWaalsContact O-CB 3.31Å; D372-S376 WeakPolarHBondContact O-CB 3.15Å; D372-S376 PolarHBondContact O-N 3.42Å; D372-S376 PolarHBondContact O-OG 3.4Å |
| 373 | Y | 97.1 | Very high | 96.9 | Very high | 135 Ų | 135 | 100 Ų | 100 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.9 | -56.2 | 165.4 | 176.3 | -92.9 | 0 | 0 | 0 | 111.4 | A369 S370 K375 S376 E377 | A369-Y373 VanDerWaalsContact O-CB 3.25Å; A369-Y373 WeakPolarHBondContact O-CB 3.25Å; A369-Y373 PolarHBondContact O-N 2.85Å; S370-Y373 PolarHBondContact O-N 3.24Å; Y373-K375 VanDerWaalsContact C-N 3.31Å; Y373-K375 PolarHBondContact O-N 2.96Å; Y373-S376 PolarHBondContact O-N 2.98Å; Y373-S376 VanDerWaalsContact O-N 3.07Å; Y373-E377 HydrophobicContact CD1-CG 4.2Å; Y373-E377 HydrophobicContact CE1-CG 3.74Å; Y373-E377 HydrophobicContact CE2-CG 4.39Å; Y373-E377 PolarHBondContact O-N 2.82Å |
| 374 | Y | 96.2 | Very high | 97 | Very high | 142 Ų | 142 | 100.5 Ų | 100.5 | 56% | 0.557 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.4 | -39.2 | 179.4 | -73.8 | -58.1 | 0 | 0 | 0 | 112.2 | S370 R371 E377 Y378 | S370-Y374 WeakPolarHBondContact O-CD2 3.47Å; S370-Y374 PolarHBondContact O-N 3.25Å; R371-Y374 PolarHBondContact O-N 2.96Å; Y374-E377 WeakPolarHBondContact O-CB 3.37Å; Y374-E377 PolarHBondContact O-N 2.93Å; Y374-Y378 WeakPolarHBondContact O-CD2 3.43Å; Y374-Y378 PolarHBondContact O-N 3.04Å |
| 375 | K | 98 | Very high | 97 | Very high | 118 Ų | 118 | 99.1 Ų | 99.1 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 172.5 | -179.6 | -177.7 | 166.7 | -177.2 | 0 | 111.3 | R371 Y373 E377 Y378 E379 | R371-K375 VanDerWaalsContact O-CB 3.3Å; R371-K375 WeakPolarHBondContact O-CB 3.43Å; R371-K375 PolarHBondContact O-N 3.44Å; Y373-K375 VanDerWaalsContact C-N 3.31Å; Y373-K375 PolarHBondContact O-N 2.96Å; K375-E377 VanDerWaalsContact C-N 3.35Å; K375-E377 PolarHBondContact O-N 3.15Å; K375-Y378 PolarHBondContact O-N 3.37Å; K375-E379 WeakPolarHBondContact CE-OE1 3.19Å; K375-E379 HydrophobicContact CG-CG 4.45Å; K375-E379 IonicContact NZ-OE1 3.65Å; K375-E379 WeakPolarHBondContact O-CB 3.22Å; K375-E379 WeakPolarHBondContact O-CG 3.34Å; K375-E379 PolarHBondContact O-N 2.91Å |
| 376 | S | 97.1 | Very high | 97 | Very high | 67 Ų | 67 | 97.1 Ų | 97.1 | 47% | 0.469 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 112 | D372 Y373 E379 S380 | D372-S376 VanDerWaalsContact O-CB 3.31Å; D372-S376 WeakPolarHBondContact O-CB 3.15Å; D372-S376 PolarHBondContact O-N 3.42Å; D372-S376 PolarHBondContact O-OG 3.4Å; Y373-S376 PolarHBondContact O-N 2.98Å; Y373-S376 VanDerWaalsContact O-N 3.07Å; S376-E379 PolarHBondContact O-N 3.19Å; S376-S380 WeakPolarHBondContact O-CB 3.32Å; S376-S380 PolarHBondContact O-N 2.91Å |
| 377 | E | 97.6 | Very high | 97.1 | Very high | 66 Ų | 66 | 94.9 Ų | 94.9 | 31% | 0.308 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 173 | -82.6 | -80.3 | 120.9 | 0 | 0 | 112.5 | Y373 Y374 K375 S380 K381 | Y373-E377 HydrophobicContact CD1-CG 4.2Å; Y373-E377 HydrophobicContact CE1-CG 3.74Å; Y373-E377 HydrophobicContact CE2-CG 4.39Å; Y373-E377 PolarHBondContact O-N 2.82Å; Y374-E377 WeakPolarHBondContact O-CB 3.37Å; Y374-E377 PolarHBondContact O-N 2.93Å; K375-E377 VanDerWaalsContact C-N 3.35Å; K375-E377 PolarHBondContact O-N 3.15Å; E377-S380 PolarHBondContact O-N 3.4Å; E377-K381 WeakPolarHBondContact O-CG 3.3Å; E377-K381 PolarHBondContact O-N 3.42Å; E377-K381 IonicContact OE2-NZ 2.71Å; E377-K381 PolarHBondContact OE2-NZ 3.4Å |
| 378 | Y | 96.3 | Very high | 97.1 | Very high | 168 Ų | 168 | 92.6 Ų | 92.6 | 66% | 0.659 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.2 | -40 | 177.3 | -75.5 | -60.5 | 0 | 0 | 0 | 112 | Y374 K375 S380 L382 | Y374-Y378 WeakPolarHBondContact O-CD2 3.43Å; Y374-Y378 PolarHBondContact O-N 3.04Å; K375-Y378 PolarHBondContact O-N 3.37Å; Y378-S380 VanDerWaalsContact C-N 3.34Å; Y378-L382 VanDerWaalsContact O-CB 3.31Å; Y378-L382 WeakPolarHBondContact O-CB 3.49Å; Y378-L382 PolarHBondContact O-N 2.89Å |
| 379 | E | 97.1 | Very high | 97.1 | Very high | 70 Ų | 70 | 95.8 Ų | 95.8 | 33% | 0.327 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -32.9 | 173.8 | -71 | -176.6 | -179.3 | 0 | 0 | 112.5 | K375 S376 R383 | K375-E379 WeakPolarHBondContact CE-OE1 3.19Å; K375-E379 HydrophobicContact CG-CG 4.45Å; K375-E379 IonicContact NZ-OE1 3.65Å; K375-E379 WeakPolarHBondContact O-CB 3.22Å; K375-E379 WeakPolarHBondContact O-CG 3.34Å; K375-E379 PolarHBondContact O-N 2.91Å; S376-E379 PolarHBondContact O-N 3.19Å; E379-R383 VanDerWaalsContact C-NH1 3.34Å; E379-R383 VanDerWaalsContact CB-NH1 3.31Å; E379-R383 WeakPolarHBondContact O-CD 3.32Å; E379-R383 WeakPolarHBondContact O-CG 3.48Å; E379-R383 PolarHBondContact O-N 3.29Å; E379-R383 PolarHBondContact O-NH1 3.43Å; E379-R383 IonicContact OE2-CZ 3.77Å; E379-R383 IonicContact OE2-NH1 3.86Å; E379-R383 IonicContact OE2-NH2 3.56Å; E379-R383 PolarHBondContact OE2-NH2 2.87Å |
| 380 | S | 97.1 | Very high | 97.1 | Very high | 44 Ų | 44 | 99.6 Ų | 99.6 | 31% | 0.308 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.2 | -51.2 | 174.7 | -157 | 0 | 0 | 0 | 0 | 110.6 | S376 E377 Y378 L382 R383 E384 | S376-S380 WeakPolarHBondContact O-CB 3.32Å; S376-S380 PolarHBondContact O-N 2.91Å; E377-S380 PolarHBondContact O-N 3.4Å; Y378-S380 VanDerWaalsContact C-N 3.34Å; S380-L382 VanDerWaalsContact C-N 3.3Å; S380-L382 PolarHBondContact O-N 3.44Å; S380-R383 CarbonylContact O-C 3.58Å; S380-R383 WeakPolarHBondContact O-CA 3.42Å; S380-R383 WeakPolarHBondContact O-CB 3.42Å; S380-R383 PolarHBondContact O-N 2.95Å; S380-E384 VanDerWaalsContact C-OE1 3.25Å; S380-E384 WeakPolarHBondContact CB-OE1 3.39Å; S380-E384 WeakPolarHBondContact O-CB 3.1Å; S380-E384 VanDerWaalsContact O-CG 3.32Å; S380-E384 WeakPolarHBondContact O-CG 3.43Å; S380-E384 PolarHBondContact O-N 3.29Å; S380-E384 PolarHBondContact OG-OE1 2.91Å |
| 381 | K | 97.4 | Very high | 97.2 | Very high | 96 Ų | 96 | 101.7 Ų | 101.7 | 42% | 0.417 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 177 | -74.2 | 158 | -179.3 | 158.7 | 0 | 112.1 | E377 E384 E385 | E377-K381 WeakPolarHBondContact O-CG 3.3Å; E377-K381 PolarHBondContact O-N 3.42Å; E377-K381 IonicContact OE2-NZ 2.71Å; E377-K381 PolarHBondContact OE2-NZ 3.4Å; K381-E384 PolarHBondContact O-N 3.04Å; K381-E385 WeakPolarHBondContact O-CB 3.28Å; K381-E385 WeakPolarHBondContact O-CG 3.46Å; K381-E385 PolarHBondContact O-N 3.36Å |
| 382 | L | 95.9 | Very high | 97.2 | Very high | 99 Ų | 99 | 102.3 Ų | 102.3 | 52% | 0.518 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 175 | -174.5 | 63.5 | 0 | 0 | 0 | 112.7 | Y378 S380 L386 | Y378-L382 VanDerWaalsContact O-CB 3.31Å; Y378-L382 WeakPolarHBondContact O-CB 3.49Å; Y378-L382 PolarHBondContact O-N 2.89Å; S380-L382 VanDerWaalsContact C-N 3.3Å; S380-L382 PolarHBondContact O-N 3.44Å; L382-L386 HydrophobicContact CD1-CD1 4.45Å; L382-L386 HydrophobicContact CG-CD1 4.17Å; L382-L386 WeakPolarHBondContact O-CB 3.19Å; L382-L386 WeakPolarHBondContact O-CD1 3.41Å; L382-L386 WeakPolarHBondContact O-CG 3.29Å; L382-L386 PolarHBondContact O-N 3.07Å |
| 383 | R | 97.4 | Very high | 97.2 | Very high | 134 Ų | 134 | 102.4 Ų | 102.4 | 51% | 0.506 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 172.2 | -71 | 162.8 | -168.1 | 121.2 | 5.7 | 111 | E379 S380 L386 E387 | E379-R383 VanDerWaalsContact C-NH1 3.34Å; E379-R383 VanDerWaalsContact CB-NH1 3.31Å; E379-R383 WeakPolarHBondContact O-CD 3.32Å; E379-R383 WeakPolarHBondContact O-CG 3.48Å; E379-R383 PolarHBondContact O-N 3.29Å; E379-R383 PolarHBondContact O-NH1 3.43Å; E379-R383 IonicContact OE2-CZ 3.77Å; E379-R383 IonicContact OE2-NH1 3.86Å; E379-R383 IonicContact OE2-NH2 3.56Å; E379-R383 PolarHBondContact OE2-NH2 2.87Å; S380-R383 CarbonylContact O-C 3.58Å; S380-R383 WeakPolarHBondContact O-CA 3.42Å; S380-R383 WeakPolarHBondContact O-CB 3.42Å; S380-R383 PolarHBondContact O-N 2.95Å; R383-L386 PolarHBondContact O-N 2.99Å; R383-E387 WeakPolarHBondContact O-CG 3.44Å; R383-E387 PolarHBondContact O-N 3.02Å |
| 384 | E | 97.9 | Very high | 97.2 | Very high | 99 Ų | 99 | 98.9 Ų | 98.9 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 179.6 | -70.2 | 158.4 | -129.9 | 0 | 0 | 111.4 | S380 K381 E387 N388 | S380-E384 VanDerWaalsContact C-OE1 3.25Å; S380-E384 WeakPolarHBondContact CB-OE1 3.39Å; S380-E384 WeakPolarHBondContact O-CB 3.1Å; S380-E384 VanDerWaalsContact O-CG 3.32Å; S380-E384 WeakPolarHBondContact O-CG 3.43Å; S380-E384 PolarHBondContact O-N 3.29Å; S380-E384 PolarHBondContact OG-OE1 2.91Å; K381-E384 PolarHBondContact O-N 3.04Å; E384-E387 PolarHBondContact O-N 2.88Å; E384-N388 VanDerWaalsContact O-CB 3.25Å; E384-N388 WeakPolarHBondContact O-CB 3.39Å; E384-N388 VanDerWaalsContact O-CG 3.27Å; E384-N388 PolarHBondContact O-N 2.87Å; E384-N388 PolarHBondContact O-ND2 3.2Å |
| 385 | E | 97.1 | Very high | 97.2 | Very high | 118 Ų | 118 | 96.8 Ų | 96.8 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 173.6 | -75.8 | 173.6 | -176.1 | 0 | 0 | 111.8 | K381 N388 I389 | K381-E385 WeakPolarHBondContact O-CB 3.28Å; K381-E385 WeakPolarHBondContact O-CG 3.46Å; K381-E385 PolarHBondContact O-N 3.36Å; E385-N388 PolarHBondContact O-N 3.29Å; E385-I389 VanDerWaalsContact O-CG1 3.27Å; E385-I389 WeakPolarHBondContact O-CG1 3.33Å; E385-I389 PolarHBondContact O-N 3.37Å |
| 386 | L | 97.2 | Very high | 97.2 | Very high | 85 Ų | 85 | 96.5 Ų | 96.5 | 45% | 0.445 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.6 | -73.2 | 169.5 | 0 | 0 | 0 | 112.5 | L382 R383 I389 R390 | L382-L386 HydrophobicContact CD1-CD1 4.45Å; L382-L386 HydrophobicContact CG-CD1 4.17Å; L382-L386 WeakPolarHBondContact O-CB 3.19Å; L382-L386 WeakPolarHBondContact O-CD1 3.41Å; L382-L386 WeakPolarHBondContact O-CG 3.29Å; L382-L386 PolarHBondContact O-N 3.07Å; R383-L386 PolarHBondContact O-N 2.99Å; L386-I389 PolarHBondContact O-N 2.72Å; L386-R390 WeakPolarHBondContact O-CB 3.22Å; L386-R390 VanDerWaalsContact O-CG 3.23Å; L386-R390 WeakPolarHBondContact O-CG 3.31Å; L386-R390 PolarHBondContact O-N 2.99Å |
| 387 | E | 97.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 97.8 Ų | 97.8 | 46% | 0.458 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 174.3 | -70.3 | -51.4 | 139.3 | 0 | 0 | 112.2 | R383 E384 I389 R390 L391 | R383-E387 WeakPolarHBondContact O-CG 3.44Å; R383-E387 PolarHBondContact O-N 3.02Å; E384-E387 PolarHBondContact O-N 2.88Å; E387-I389 VanDerWaalsContact C-N 3.32Å; E387-I389 PolarHBondContact O-N 3.47Å; E387-R390 PolarHBondContact O-N 3.37Å; E387-R390 WeakPolarHBondContact OE1-CD 3.25Å; E387-R390 IonicContact OE1-CZ 3.82Å; E387-R390 IonicContact OE1-NE 2.92Å; E387-R390 IonicContact OE1-NH1 3.83Å; E387-R390 PolarHBondContact OE1-NH1 2.85Å; E387-L391 WeakPolarHBondContact O-CB 3.09Å; E387-L391 PolarHBondContact O-N 2.82Å |
| 388 | N | 98.1 | Very high | 97.2 | Very high | 90 Ų | 90 | 99.5 Ų | 99.5 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -38 | 172.8 | -82.6 | -58.8 | 0 | 0 | 0 | 112.1 | E384 E385 K392 | E384-N388 VanDerWaalsContact O-CB 3.25Å; E384-N388 WeakPolarHBondContact O-CB 3.39Å; E384-N388 VanDerWaalsContact O-CG 3.27Å; E384-N388 PolarHBondContact O-N 2.87Å; E384-N388 PolarHBondContact O-ND2 3.2Å; E385-N388 PolarHBondContact O-N 3.29Å; N388-K392 WeakPolarHBondContact O-CB 3.33Å; N388-K392 VanDerWaalsContact O-CG 3.24Å; N388-K392 WeakPolarHBondContact O-CG 3.21Å; N388-K392 PolarHBondContact O-N 2.95Å |
| 389 | I | 97.1 | Very high | 97.3 | Very high | 103 Ų | 103 | 95.4 Ų | 95.4 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.3 | -46 | 174.1 | -69.6 | 163.9 | 0 | 0 | 0 | 110.5 | E385 L386 E387 L391 K392 T393 | E385-I389 VanDerWaalsContact O-CG1 3.27Å; E385-I389 WeakPolarHBondContact O-CG1 3.33Å; E385-I389 PolarHBondContact O-N 3.37Å; L386-I389 PolarHBondContact O-N 2.72Å; E387-I389 VanDerWaalsContact C-N 3.32Å; E387-I389 PolarHBondContact O-N 3.47Å; I389-L391 PolarHBondContact O-N 2.86Å; I389-K392 PolarHBondContact O-N 3.2Å; I389-T393 HydrophobicContact CG2-CG2 4.49Å; I389-T393 WeakPolarHBondContact O-CB 3.44Å; I389-T393 WeakPolarHBondContact O-CG2 3.32Å; I389-T393 PolarHBondContact O-N 3.15Å; I389-T393 PolarHBondContact O-OG1 3.2Å |
| 390 | R | 97.3 | Very high | 97.3 | Very high | 143 Ų | 143 | 97.6 Ų | 97.6 | 54% | 0.54 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.8 | -47.8 | 175.3 | -75.5 | 165.4 | 174 | -170 | -5.1 | 111.9 | L386 E387 T393 S394 | L386-R390 WeakPolarHBondContact O-CB 3.22Å; L386-R390 VanDerWaalsContact O-CG 3.23Å; L386-R390 WeakPolarHBondContact O-CG 3.31Å; L386-R390 PolarHBondContact O-N 2.99Å; E387-R390 PolarHBondContact O-N 3.37Å; E387-R390 WeakPolarHBondContact OE1-CD 3.25Å; E387-R390 IonicContact OE1-CZ 3.82Å; E387-R390 IonicContact OE1-NE 2.92Å; E387-R390 IonicContact OE1-NH1 3.83Å; E387-R390 PolarHBondContact OE1-NH1 2.85Å; R390-T393 PolarHBondContact O-OG1 2.91Å; R390-T393 VanDerWaalsContact O-OG1 3.04Å; R390-S394 VanDerWaalsContact O-CB 3.29Å; R390-S394 WeakPolarHBondContact O-CB 3.2Å; R390-S394 PolarHBondContact O-N 3.46Å; R390-S394 PolarHBondContact O-OG 2.84Å |
| 391 | L | 97.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 99.8 Ų | 99.8 | 49% | 0.492 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | -177.4 | -172.7 | 141.2 | 0 | 0 | 0 | 111.9 | E387 I389 S394 Q395 | E387-L391 WeakPolarHBondContact O-CB 3.09Å; E387-L391 PolarHBondContact O-N 2.82Å; I389-L391 PolarHBondContact O-N 2.86Å; L391-S394 PolarHBondContact O-N 2.82Å; L391-Q395 WeakPolarHBondContact O-CB 3.49Å; L391-Q395 VanDerWaalsContact O-CG 3.27Å; L391-Q395 WeakPolarHBondContact O-CG 3.42Å; L391-Q395 PolarHBondContact O-N 3.14Å |
| 392 | K | 97.6 | Very high | 97.3 | Very high | 121 Ų | 121 | 100.4 Ų | 100.4 | 53% | 0.526 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -51 | 172.5 | -75.9 | 174.7 | -177.5 | -179.5 | 0 | 112.3 | N388 I389 S394 Q395 E396 | N388-K392 WeakPolarHBondContact O-CB 3.33Å; N388-K392 VanDerWaalsContact O-CG 3.24Å; N388-K392 WeakPolarHBondContact O-CG 3.21Å; N388-K392 PolarHBondContact O-N 2.95Å; I389-K392 PolarHBondContact O-N 3.2Å; K392-S394 VanDerWaalsContact C-N 3.29Å; K392-S394 PolarHBondContact O-N 3.21Å; K392-Q395 CarbonylContact O-C 3.6Å; K392-Q395 WeakPolarHBondContact O-CB 3.39Å; K392-Q395 PolarHBondContact O-N 3.35Å; K392-Q395 VanDerWaalsContact O-N 3.12Å; K392-E396 WeakPolarHBondContact O-CG 3.47Å; K392-E396 PolarHBondContact O-N 3.48Å |
| 393 | T | 95.7 | Very high | 97.4 | Very high | 60 Ų | 60 | 98.2 Ų | 98.2 | 37% | 0.368 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 178.5 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | I389 R390 E396 I397 | I389-T393 HydrophobicContact CG2-CG2 4.49Å; I389-T393 WeakPolarHBondContact O-CB 3.44Å; I389-T393 WeakPolarHBondContact O-CG2 3.32Å; I389-T393 PolarHBondContact O-N 3.15Å; I389-T393 PolarHBondContact O-OG1 3.2Å; R390-T393 PolarHBondContact O-OG1 2.91Å; R390-T393 VanDerWaalsContact O-OG1 3.04Å; T393-E396 PolarHBondContact O-N 3.31Å; T393-I397 WeakPolarHBondContact O-CB 3.26Å; T393-I397 WeakPolarHBondContact O-CD1 3.33Å; T393-I397 WeakPolarHBondContact O-CG1 3.36Å; T393-I397 PolarHBondContact O-N 2.82Å |
| 394 | S | 97.2 | Very high | 97.3 | Very high | 61 Ų | 61 | 94 Ų | 94 | 43% | 0.427 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 171.6 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | R390 L391 K392 E396 I397 E398 | R390-S394 VanDerWaalsContact O-CB 3.29Å; R390-S394 WeakPolarHBondContact O-CB 3.2Å; R390-S394 PolarHBondContact O-N 3.46Å; R390-S394 PolarHBondContact O-OG 2.84Å; L391-S394 PolarHBondContact O-N 2.82Å; K392-S394 VanDerWaalsContact C-N 3.29Å; K392-S394 PolarHBondContact O-N 3.21Å; S394-E396 PolarHBondContact O-N 2.96Å; S394-I397 PolarHBondContact O-N 3Å; S394-E398 WeakPolarHBondContact O-CG 3.3Å; S394-E398 PolarHBondContact O-N 2.98Å |
| 395 | Q | 97.8 | Very high | 97.3 | Very high | 98 Ų | 98 | 96.1 Ų | 96.1 | 46% | 0.458 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 176.1 | -74.8 | 174.3 | -11.1 | 0 | 0 | 112.5 | L391 K392 E398 N399 | L391-Q395 WeakPolarHBondContact O-CB 3.49Å; L391-Q395 VanDerWaalsContact O-CG 3.27Å; L391-Q395 WeakPolarHBondContact O-CG 3.42Å; L391-Q395 PolarHBondContact O-N 3.14Å; K392-Q395 CarbonylContact O-C 3.6Å; K392-Q395 WeakPolarHBondContact O-CB 3.39Å; K392-Q395 PolarHBondContact O-N 3.35Å; K392-Q395 VanDerWaalsContact O-N 3.12Å; Q395-E398 PolarHBondContact O-N 3.25Å; Q395-N399 VanDerWaalsContact O-CB 3.25Å; Q395-N399 WeakPolarHBondContact O-CB 3.37Å; Q395-N399 PolarHBondContact O-N 2.82Å; Q395-N399 PolarHBondContact O-ND2 2.94Å; Q395-N399 VanDerWaalsContact O-ND2 3.13Å; Q395-N399 PolarHBondContact O-OD1 2.86Å |
| 396 | E | 97.2 | Very high | 97.3 | Very high | 112 Ų | 112 | 94.8 Ų | 94.8 | 52% | 0.523 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 174.5 | -73.7 | 166.4 | -165.9 | 0 | 0 | 111.3 | K392 T393 S394 N399 L400 | K392-E396 WeakPolarHBondContact O-CG 3.47Å; K392-E396 PolarHBondContact O-N 3.48Å; T393-E396 PolarHBondContact O-N 3.31Å; S394-E396 PolarHBondContact O-N 2.96Å; E396-N399 PolarHBondContact O-N 2.97Å; E396-L400 WeakPolarHBondContact O-CB 3.41Å; E396-L400 VanDerWaalsContact O-CG 3.28Å; E396-L400 WeakPolarHBondContact O-CG 3.31Å; E396-L400 PolarHBondContact O-N 3.43Å |
| 397 | I | 97.4 | Very high | 97.2 | Very high | 95 Ų | 95 | 95.8 Ų | 95.8 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 174.2 | -71 | 163.4 | 0 | 0 | 0 | 111 | T393 S394 N399 L400 Q401 | T393-I397 WeakPolarHBondContact O-CB 3.26Å; T393-I397 WeakPolarHBondContact O-CD1 3.33Å; T393-I397 WeakPolarHBondContact O-CG1 3.36Å; T393-I397 PolarHBondContact O-N 2.82Å; S394-I397 PolarHBondContact O-N 3Å; I397-N399 PolarHBondContact O-N 2.94Å; I397-L400 PolarHBondContact O-N 3.28Å; I397-Q401 WeakPolarHBondContact O-CB 3.48Å; I397-Q401 WeakPolarHBondContact O-CG 3.37Å; I397-Q401 PolarHBondContact O-N 3.4Å |
| 398 | E | 97.7 | Very high | 97.2 | Very high | 102 Ų | 102 | 98 Ų | 98 | 48% | 0.477 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.2 | -73.8 | -175.5 | -161.7 | 0 | 0 | 112.7 | S394 Q395 L400 Q401 R402 | S394-E398 WeakPolarHBondContact O-CG 3.3Å; S394-E398 PolarHBondContact O-N 2.98Å; Q395-E398 PolarHBondContact O-N 3.25Å; E398-L400 VanDerWaalsContact C-N 3.35Å; E398-Q401 PolarHBondContact O-N 3.45Å; E398-R402 VanDerWaalsContact CB-NH2 3.3Å; E398-R402 WeakPolarHBondContact O-CB 3.47Å; E398-R402 WeakPolarHBondContact O-CG 3.44Å; E398-R402 PolarHBondContact O-N 3.29Å; E398-R402 IonicContact OE2-CZ 3.65Å; E398-R402 IonicContact OE2-NH2 2.69Å; E398-R402 PolarHBondContact OE2-NH2 2.89Å |
| 399 | N | 97.9 | Very high | 97.1 | Very high | 81 Ų | 81 | 98.7 Ų | 98.7 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 177.9 | -71.9 | -22.3 | 0 | 0 | 0 | 110.9 | Q395 E396 I397 R402 S403 | Q395-N399 VanDerWaalsContact O-CB 3.25Å; Q395-N399 WeakPolarHBondContact O-CB 3.37Å; Q395-N399 PolarHBondContact O-N 2.82Å; Q395-N399 PolarHBondContact O-ND2 2.94Å; Q395-N399 VanDerWaalsContact O-ND2 3.13Å; Q395-N399 PolarHBondContact O-OD1 2.86Å; E396-N399 PolarHBondContact O-N 2.97Å; I397-N399 PolarHBondContact O-N 2.94Å; N399-R402 PolarHBondContact O-N 2.93Å; N399-R402 VanDerWaalsContact OD1-CZ 3.3Å; N399-R402 PolarHBondContact OD1-NH1 2.97Å; N399-R402 PolarHBondContact OD1-NH2 2.98Å; N399-S403 WeakPolarHBondContact O-CB 3.36Å; N399-S403 PolarHBondContact O-N 3.29Å; N399-S403 PolarHBondContact O-OG 2.89Å; N399-S403 VanDerWaalsContact O-OG 3.11Å |
| 400 | L | 96.9 | Very high | 97.1 | Very high | 116 Ų | 116 | 99.8 Ų | 99.8 | 61% | 0.607 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.4 | -39.9 | 173.1 | -71.8 | 169.2 | 0 | 0 | 0 | 112.1 | E396 I397 E398 S403 S404 | E396-L400 WeakPolarHBondContact O-CB 3.41Å; E396-L400 VanDerWaalsContact O-CG 3.28Å; E396-L400 WeakPolarHBondContact O-CG 3.31Å; E396-L400 PolarHBondContact O-N 3.43Å; I397-L400 PolarHBondContact O-N 3.28Å; E398-L400 VanDerWaalsContact C-N 3.35Å; L400-S403 PolarHBondContact O-OG 2.92Å; L400-S404 WeakPolarHBondContact O-CB 3.49Å; L400-S404 PolarHBondContact O-N 3.26Å |
| 401 | Q | 97.6 | Very high | 97 | Very high | 90 Ų | 90 | 97.9 Ų | 97.9 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 174 | -74.8 | -175 | 31.1 | 0 | 0 | 112.1 | I397 E398 R405 | I397-Q401 WeakPolarHBondContact O-CB 3.48Å; I397-Q401 WeakPolarHBondContact O-CG 3.37Å; I397-Q401 PolarHBondContact O-N 3.4Å; E398-Q401 PolarHBondContact O-N 3.45Å; Q401-R405 WeakPolarHBondContact O-CB 3.41Å; Q401-R405 WeakPolarHBondContact O-CG 3.06Å; Q401-R405 PolarHBondContact O-N 3.49Å |
| 402 | R | 97.7 | Very high | 96.9 | Very high | 109 Ų | 109 | 96.8 Ų | 96.8 | 41% | 0.411 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.8 | -47.9 | 176.6 | -80.3 | -176.5 | -94.4 | 97.7 | -0.5 | 111.3 | E398 N399 S404 R405 E406 | E398-R402 VanDerWaalsContact CB-NH2 3.3Å; E398-R402 WeakPolarHBondContact O-CB 3.47Å; E398-R402 WeakPolarHBondContact O-CG 3.44Å; E398-R402 PolarHBondContact O-N 3.29Å; E398-R402 IonicContact OE2-CZ 3.65Å; E398-R402 IonicContact OE2-NH2 2.69Å; E398-R402 PolarHBondContact OE2-NH2 2.89Å; N399-R402 PolarHBondContact O-N 2.93Å; N399-R402 VanDerWaalsContact OD1-CZ 3.3Å; N399-R402 PolarHBondContact OD1-NH1 2.97Å; N399-R402 PolarHBondContact OD1-NH2 2.98Å; R402-S404 PolarHBondContact O-N 3.2Å; R402-R405 PolarHBondContact O-N 3.2Å; R402-E406 WeakPolarHBondContact O-CB 3.29Å; R402-E406 WeakPolarHBondContact O-CG 3.26Å; R402-E406 PolarHBondContact O-N 2.89Å |
| 403 | S | 96.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 96.7 Ų | 96.7 | 37% | 0.371 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 177.7 | 67.2 | 0 | 0 | 0 | 0 | 112.7 | N399 L400 E406 L407 | N399-S403 WeakPolarHBondContact O-CB 3.36Å; N399-S403 PolarHBondContact O-N 3.29Å; N399-S403 PolarHBondContact O-OG 2.89Å; N399-S403 VanDerWaalsContact O-OG 3.11Å; L400-S403 PolarHBondContact O-OG 2.92Å; S403-E406 PolarHBondContact O-N 2.96Å; S403-L407 WeakPolarHBondContact O-CB 3.34Å; S403-L407 VanDerWaalsContact O-CG 3.26Å; S403-L407 WeakPolarHBondContact O-CG 3.5Å; S403-L407 PolarHBondContact O-N 2.92Å |
| 404 | S | 95.9 | Very high | 96.9 | Very high | 45 Ų | 45 | 98.7 Ų | 98.7 | 32% | 0.315 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 172.7 | 174 | 0 | 0 | 0 | 0 | 112.1 | L400 R402 L407 Y408 | L400-S404 WeakPolarHBondContact O-CB 3.49Å; L400-S404 PolarHBondContact O-N 3.26Å; R402-S404 PolarHBondContact O-N 3.2Å; S404-L407 PolarHBondContact O-N 3.49Å; S404-Y408 WeakPolarHBondContact O-CD2 3.36Å; S404-Y408 PolarHBondContact O-N 2.93Å; S404-Y408 VanDerWaalsContact OG-CE2 3.25Å; S404-Y408 WeakPolarHBondContact OG-CE2 3.23Å |
| 405 | R | 97.6 | Very high | 96.9 | Very high | 145 Ų | 145 | 101 Ų | 101 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 174.4 | -71.4 | 171.8 | -155 | -175.9 | 9.3 | 111.4 | Q401 R402 L407 Y408 E409 | Q401-R405 WeakPolarHBondContact O-CB 3.41Å; Q401-R405 WeakPolarHBondContact O-CG 3.06Å; Q401-R405 PolarHBondContact O-N 3.49Å; R402-R405 PolarHBondContact O-N 3.2Å; R405-L407 VanDerWaalsContact C-N 3.33Å; R405-L407 PolarHBondContact O-N 3.43Å; R405-Y408 PolarHBondContact O-N 2.92Å; R405-E409 WeakPolarHBondContact O-CB 3.42Å; R405-E409 WeakPolarHBondContact O-CG 3.41Å; R405-E409 PolarHBondContact O-N 2.84Å |
| 406 | E | 97.1 | Very high | 96.8 | Very high | 89 Ų | 89 | 102.8 Ų | 102.8 | 42% | 0.416 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 176.6 | -77.6 | -175.3 | -125.5 | 0 | 0 | 112.6 | R402 S403 E409 R410 | R402-E406 WeakPolarHBondContact O-CB 3.29Å; R402-E406 WeakPolarHBondContact O-CG 3.26Å; R402-E406 PolarHBondContact O-N 2.89Å; S403-E406 PolarHBondContact O-N 2.96Å; E406-E409 PolarHBondContact O-N 3.45Å; E406-R410 WeakPolarHBondContact O-CB 3.39Å; E406-R410 VanDerWaalsContact O-CD 3.32Å; E406-R410 WeakPolarHBondContact O-CD 3.4Å; E406-R410 WeakPolarHBondContact O-CG 3.49Å; E406-R410 PolarHBondContact O-N 3.03Å; E406-R410 IonicContact OE2-CZ 3.22Å; E406-R410 IonicContact OE2-NH2 3.12Å; E406-R410 PolarHBondContact OE2-NH2 3.48Å |
| 407 | L | 96.3 | Very high | 96.8 | Very high | 107 Ų | 107 | 102.8 Ų | 102.8 | 56% | 0.56 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.8 | -49.6 | 174.9 | -74.9 | 168.3 | 0 | 0 | 0 | 111.1 | S403 S404 R405 E409 R410 E411 | S403-L407 WeakPolarHBondContact O-CB 3.34Å; S403-L407 VanDerWaalsContact O-CG 3.26Å; S403-L407 WeakPolarHBondContact O-CG 3.5Å; S403-L407 PolarHBondContact O-N 2.92Å; S404-L407 PolarHBondContact O-N 3.49Å; R405-L407 VanDerWaalsContact C-N 3.33Å; R405-L407 PolarHBondContact O-N 3.43Å; L407-E409 VanDerWaalsContact C-N 3.3Å; L407-E409 PolarHBondContact O-N 2.77Å; L407-R410 PolarHBondContact O-N 3.01Å; L407-E411 WeakPolarHBondContact O-CB 3.43Å; L407-E411 PolarHBondContact O-N 3.02Å |
| 408 | Y | 96.6 | Very high | 96.7 | Very high | 144 Ų | 144 | 100.9 Ų | 100.9 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -34.6 | 176.6 | -69.9 | -50.7 | 0 | 0 | 0 | 113 | S404 R405 N412 | S404-Y408 WeakPolarHBondContact O-CD2 3.36Å; S404-Y408 PolarHBondContact O-N 2.93Å; S404-Y408 VanDerWaalsContact OG-CE2 3.25Å; S404-Y408 WeakPolarHBondContact OG-CE2 3.23Å; R405-Y408 PolarHBondContact O-N 2.92Å; Y408-N412 VanDerWaalsContact O-CB 3.25Å; Y408-N412 WeakPolarHBondContact O-CB 3.28Å; Y408-N412 PolarHBondContact O-N 3.4Å; Y408-N412 PolarHBondContact O-ND2 2.95Å |
| 409 | E | 96.6 | Very high | 96.7 | Very high | 105 Ų | 105 | 102.7 Ų | 102.7 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.1 | -35.5 | 174.6 | -77.8 | -177.7 | -159.3 | 0 | 0 | 113.3 | R405 E406 L407 R413 | R405-E409 WeakPolarHBondContact O-CB 3.42Å; R405-E409 WeakPolarHBondContact O-CG 3.41Å; R405-E409 PolarHBondContact O-N 2.84Å; E406-E409 PolarHBondContact O-N 3.45Å; L407-E409 VanDerWaalsContact C-N 3.3Å; L407-E409 PolarHBondContact O-N 2.77Å; E409-R413 WeakPolarHBondContact O-CB 3.21Å; E409-R413 WeakPolarHBondContact O-CG 3.19Å; E409-R413 PolarHBondContact O-N 3.45Å; E409-R413 PolarHBondContact O-NE 3.49Å; E409-R413 IonicContact OE2-NH2 2.7Å; E409-R413 PolarHBondContact OE2-NH2 3.38Å |
| 410 | R | 96.9 | Very high | 96.7 | Very high | 125 Ų | 125 | 102.1 Ų | 102.1 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.2 | -44.1 | 173.9 | -70 | 162.7 | -162.8 | -163.1 | 7.3 | 109.9 | E406 L407 R413 N414 | E406-R410 WeakPolarHBondContact O-CB 3.39Å; E406-R410 VanDerWaalsContact O-CD 3.32Å; E406-R410 WeakPolarHBondContact O-CD 3.4Å; E406-R410 WeakPolarHBondContact O-CG 3.49Å; E406-R410 PolarHBondContact O-N 3.03Å; E406-R410 IonicContact OE2-CZ 3.22Å; E406-R410 IonicContact OE2-NH2 3.12Å; E406-R410 PolarHBondContact OE2-NH2 3.48Å; L407-R410 PolarHBondContact O-N 3.01Å; R410-R413 WeakPolarHBondContact O-CB 3.34Å; R410-R413 PolarHBondContact O-N 2.88Å; R410-N414 PolarHBondContact O-N 3.17Å; R410-N414 PolarHBondContact O-OD1 3.23Å |
| 411 | E | 96.1 | Very high | 96.7 | Very high | 104 Ų | 104 | 101.4 Ų | 101.4 | 49% | 0.486 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 174.5 | -173.7 | 170.1 | -145 | 0 | 0 | 111.7 | L407 R413 N414 L415 | L407-E411 WeakPolarHBondContact O-CB 3.43Å; L407-E411 PolarHBondContact O-N 3.02Å; E411-R413 VanDerWaalsContact C-N 3.3Å; E411-R413 PolarHBondContact O-N 2.8Å; E411-N414 PolarHBondContact O-N 3.18Å; E411-L415 HydrophobicContact CG-CD1 4.03Å; E411-L415 HydrophobicContact CG-CG 4.44Å; E411-L415 WeakPolarHBondContact O-CB 3.42Å; E411-L415 VanDerWaalsContact O-CG 3.28Å; E411-L415 WeakPolarHBondContact O-CG 3.43Å; E411-L415 PolarHBondContact O-N 3.05Å |
| 412 | N | 95 | Very high | 96.6 | Very high | 71 Ų | 71 | 100 Ų | 100 | 38% | 0.38 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 173.3 | -93.4 | -96.9 | 0 | 0 | 0 | 113.1 | Y408 R416 | Y408-N412 VanDerWaalsContact O-CB 3.25Å; Y408-N412 WeakPolarHBondContact O-CB 3.28Å; Y408-N412 PolarHBondContact O-N 3.4Å; Y408-N412 PolarHBondContact O-ND2 2.95Å; N412-R416 WeakPolarHBondContact O-CB 3.24Å; N412-R416 VanDerWaalsContact O-CD 3.28Å; N412-R416 WeakPolarHBondContact O-CD 3.5Å; N412-R416 WeakPolarHBondContact O-CG 3.43Å; N412-R416 PolarHBondContact O-N 3.18Å; N412-R416 VanDerWaalsContact O-N 3.14Å |
| 413 | R | 96.7 | Very high | 96.5 | Very high | 119 Ų | 119 | 97.8 Ų | 97.8 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.4 | -53.6 | 172.6 | -81.5 | 172.3 | -98.4 | -176.2 | -14.7 | 110.7 | E409 R410 E411 L415 R416 E417 | E409-R413 WeakPolarHBondContact O-CB 3.21Å; E409-R413 WeakPolarHBondContact O-CG 3.19Å; E409-R413 PolarHBondContact O-N 3.45Å; E409-R413 PolarHBondContact O-NE 3.49Å; E409-R413 IonicContact OE2-NH2 2.7Å; E409-R413 PolarHBondContact OE2-NH2 3.38Å; R410-R413 WeakPolarHBondContact O-CB 3.34Å; R410-R413 PolarHBondContact O-N 2.88Å; E411-R413 VanDerWaalsContact C-N 3.3Å; E411-R413 PolarHBondContact O-N 2.8Å; R413-L415 VanDerWaalsContact C-N 3.27Å; R413-L415 PolarHBondContact O-N 3.13Å; R413-R416 PolarHBondContact O-N 3.07Å; R413-E417 WeakPolarHBondContact O-CG 3.27Å; R413-E417 PolarHBondContact O-N 2.99Å |
| 414 | N | 96.5 | Very high | 96.6 | Very high | 101 Ų | 101 | 99.5 Ų | 99.5 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -54.9 | -41.1 | 177.5 | -64.1 | -1.1 | 0 | 0 | 0 | 112.4 | R410 E411 A418 | R410-N414 PolarHBondContact O-N 3.17Å; R410-N414 PolarHBondContact O-OD1 3.23Å; E411-N414 PolarHBondContact O-N 3.18Å; N414-A418 WeakPolarHBondContact O-CB 3.42Å; N414-A418 PolarHBondContact O-N 3.41Å |
| 415 | L | 96.1 | Very high | 96.5 | Very high | 109 Ų | 109 | 102.3 Ų | 102.3 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.5 | -35.6 | 177.6 | -72.5 | 171.3 | 0 | 0 | 0 | 112.8 | E411 R413 R419 | E411-L415 HydrophobicContact CG-CD1 4.03Å; E411-L415 HydrophobicContact CG-CG 4.44Å; E411-L415 WeakPolarHBondContact O-CB 3.42Å; E411-L415 VanDerWaalsContact O-CG 3.28Å; E411-L415 WeakPolarHBondContact O-CG 3.43Å; E411-L415 PolarHBondContact O-N 3.05Å; R413-L415 VanDerWaalsContact C-N 3.27Å; R413-L415 PolarHBondContact O-N 3.13Å; L415-R419 VanDerWaalsContact O-CB 3.31Å; L415-R419 WeakPolarHBondContact O-CB 3.49Å; L415-R419 PolarHBondContact O-N 2.99Å |
| 416 | R | 97 | Very high | 96.5 | Very high | 137 Ų | 137 | 101 Ų | 101 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.4 | -44.7 | 173.5 | -70.9 | 164.2 | -163.9 | -175.5 | 5.7 | 111 | N412 R413 R419 D420 | N412-R416 WeakPolarHBondContact O-CB 3.24Å; N412-R416 VanDerWaalsContact O-CD 3.28Å; N412-R416 WeakPolarHBondContact O-CD 3.5Å; N412-R416 WeakPolarHBondContact O-CG 3.43Å; N412-R416 PolarHBondContact O-N 3.18Å; N412-R416 VanDerWaalsContact O-N 3.14Å; R413-R416 PolarHBondContact O-N 3.07Å; R416-R419 WeakPolarHBondContact O-CB 3.46Å; R416-R419 PolarHBondContact O-N 3Å; R416-D420 WeakPolarHBondContact O-CB 3.38Å; R416-D420 PolarHBondContact O-N 2.74Å |
| 417 | E | 96.6 | Very high | 96.5 | Very high | 111 Ų | 111 | 100.4 Ų | 100.4 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 175.7 | -70.1 | 168.1 | -148.9 | 0 | 0 | 111.3 | R413 D420 N421 | R413-E417 WeakPolarHBondContact O-CG 3.27Å; R413-E417 PolarHBondContact O-N 2.99Å; E417-D420 PolarHBondContact O-N 2.67Å; E417-N421 WeakPolarHBondContact O-CB 3.21Å; E417-N421 VanDerWaalsContact O-CG 3.25Å; E417-N421 PolarHBondContact O-N 2.71Å; E417-N421 PolarHBondContact O-ND2 3.49Å |
| 418 | A | 95.4 | Very high | 96.6 | Very high | 56 Ų | 56 | 102.8 Ų | 102.8 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N414 A422 | N414-A418 WeakPolarHBondContact O-CB 3.42Å; N414-A418 PolarHBondContact O-N 3.41Å; A418-A422 WeakPolarHBondContact O-CB 3.27Å; A418-A422 PolarHBondContact O-N 2.94Å |
| 419 | R | 97.5 | Very high | 96.5 | Very high | 139 Ų | 139 | 98.9 Ų | 98.9 | 53% | 0.525 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -48.3 | 172.1 | 177.5 | -157.2 | 69.2 | -172.3 | -3.9 | 111 | L415 R416 A422 V423 | L415-R419 VanDerWaalsContact O-CB 3.31Å; L415-R419 WeakPolarHBondContact O-CB 3.49Å; L415-R419 PolarHBondContact O-N 2.99Å; R416-R419 WeakPolarHBondContact O-CB 3.46Å; R416-R419 PolarHBondContact O-N 3Å; R419-A422 CarbonylContact O-C 3.6Å; R419-A422 PolarHBondContact O-N 3.01Å; R419-V423 WeakPolarHBondContact O-CG2 3.18Å; R419-V423 PolarHBondContact O-N 2.84Å |
| 420 | D | 97.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 95.2 Ų | 95.2 | 37% | 0.369 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.9 | -36.7 | -173.9 | -66.6 | -19.3 | 0 | 0 | 0 | 111.4 | R416 E417 V423 L424 | R416-D420 WeakPolarHBondContact O-CB 3.38Å; R416-D420 PolarHBondContact O-N 2.74Å; E417-D420 PolarHBondContact O-N 2.67Å; D420-V423 PolarHBondContact O-N 3.28Å; D420-L424 WeakPolarHBondContact O-CB 3.49Å; D420-L424 VanDerWaalsContact O-CG 3.27Å; D420-L424 WeakPolarHBondContact O-CG 3.29Å; D420-L424 PolarHBondContact O-N 2.9Å |
| 421 | N | 97 | Very high | 96.5 | Very high | 101 Ų | 101 | 91.8 Ų | 91.8 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 167.7 | -73.2 | -43.2 | 0 | 0 | 0 | 112.1 | E417 L424 E425 | E417-N421 WeakPolarHBondContact O-CB 3.21Å; E417-N421 VanDerWaalsContact O-CG 3.25Å; E417-N421 PolarHBondContact O-N 2.71Å; E417-N421 PolarHBondContact O-ND2 3.49Å; N421-L424 PolarHBondContact O-N 3.34Å; N421-E425 PolarHBondContact O-N 3.04Å |
| 422 | A | 95.4 | Very high | 96.5 | Very high | 60 Ų | 60 | 89.7 Ų | 89.7 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A418 R419 K426 | A418-A422 WeakPolarHBondContact O-CB 3.27Å; A418-A422 PolarHBondContact O-N 2.94Å; R419-A422 CarbonylContact O-C 3.6Å; R419-A422 PolarHBondContact O-N 3.01Å; A422-K426 VanDerWaalsContact O-CB 3.25Å; A422-K426 WeakPolarHBondContact O-CB 3.25Å; A422-K426 PolarHBondContact O-N 3.4Å |
| 423 | V | 97.1 | Very high | 96.5 | Very high | 63 Ų | 63 | 92.6 Ų | 92.6 | 38% | 0.382 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 172.2 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | R419 D420 E425 K426 D427 | R419-V423 WeakPolarHBondContact O-CG2 3.18Å; R419-V423 PolarHBondContact O-N 2.84Å; D420-V423 PolarHBondContact O-N 3.28Å; V423-E425 PolarHBondContact O-N 3.22Å; V423-K426 CarbonylContact O-C 3.57Å; V423-K426 PolarHBondContact O-N 2.83Å; V423-D427 WeakPolarHBondContact CG1-OD2 3.28Å; V423-D427 PolarHBondContact O-N 3.4Å |
| 424 | L | 97.2 | Very high | 96.5 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 176.6 | -73.1 | 169.4 | 0 | 0 | 0 | 112.5 | D420 N421 D427 R428 | D420-L424 WeakPolarHBondContact O-CB 3.49Å; D420-L424 VanDerWaalsContact O-CG 3.27Å; D420-L424 WeakPolarHBondContact O-CG 3.29Å; D420-L424 PolarHBondContact O-N 2.9Å; N421-L424 PolarHBondContact O-N 3.34Å; L424-D427 PolarHBondContact O-N 2.88Å; L424-R428 WeakPolarHBondContact O-CB 3.43Å; L424-R428 VanDerWaalsContact O-CG 3.24Å; L424-R428 WeakPolarHBondContact O-CG 3.4Å; L424-R428 PolarHBondContact O-N 3.49Å |
| 425 | E | 95.2 | Very high | 96.5 | Very high | 104 Ų | 104 | 93.9 Ų | 93.9 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 173.3 | -73.8 | -54.3 | 136.1 | 0 | 0 | 112.3 | N421 V423 D427 R428 A429 | N421-E425 PolarHBondContact O-N 3.04Å; V423-E425 PolarHBondContact O-N 3.22Å; E425-D427 VanDerWaalsContact C-N 3.31Å; E425-D427 PolarHBondContact O-N 3.43Å; E425-R428 PolarHBondContact O-N 3.34Å; E425-R428 WeakPolarHBondContact OE1-CD 3.48Å; E425-R428 IonicContact OE1-CZ 2.68Å; E425-R428 IonicContact OE1-NE 2.71Å; E425-R428 IonicContact OE1-NH1 2.71Å; E425-R428 PolarHBondContact OE1-NH1 3.39Å; E425-A429 WeakPolarHBondContact O-CB 3.45Å; E425-A429 PolarHBondContact O-N 3.07Å |
| 426 | K | 97.3 | Very high | 96.5 | Very high | 119 Ų | 119 | 91.4 Ų | 91.4 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 173.8 | -177.7 | -117.8 | 64.8 | -166.3 | 0 | 111.8 | A422 V423 A430 | A422-K426 VanDerWaalsContact O-CB 3.25Å; A422-K426 WeakPolarHBondContact O-CB 3.25Å; A422-K426 PolarHBondContact O-N 3.4Å; V423-K426 CarbonylContact O-C 3.57Å; V423-K426 PolarHBondContact O-N 2.83Å; K426-A430 WeakPolarHBondContact O-CB 3.42Å; K426-A430 PolarHBondContact O-N 3Å |
| 427 | D | 97.1 | Very high | 96.4 | Very high | 76 Ų | 76 | 89.4 Ų | 89.4 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74.6 | -35.5 | 176.1 | -75.3 | -39.8 | 0 | 0 | 0 | 112.2 | V423 L424 E425 A430 A431 | V423-D427 WeakPolarHBondContact CG1-OD2 3.28Å; V423-D427 PolarHBondContact O-N 3.4Å; L424-D427 PolarHBondContact O-N 2.88Å; E425-D427 VanDerWaalsContact C-N 3.31Å; E425-D427 PolarHBondContact O-N 3.43Å; D427-A430 PolarHBondContact O-N 2.8Å; D427-A431 WeakPolarHBondContact O-CB 3.33Å; D427-A431 PolarHBondContact O-N 3.39Å |
| 428 | R | 96.9 | Very high | 96.4 | Very high | 157 Ų | 157 | 86.2 Ų | 86.2 | 59% | 0.592 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | 168.8 | -73.8 | 166.8 | -178.9 | -176.8 | -1.2 | 111.5 | L424 E425 A431 A432 | L424-R428 WeakPolarHBondContact O-CB 3.43Å; L424-R428 VanDerWaalsContact O-CG 3.24Å; L424-R428 WeakPolarHBondContact O-CG 3.4Å; L424-R428 PolarHBondContact O-N 3.49Å; E425-R428 PolarHBondContact O-N 3.34Å; E425-R428 WeakPolarHBondContact OE1-CD 3.48Å; E425-R428 IonicContact OE1-CZ 2.68Å; E425-R428 IonicContact OE1-NE 2.71Å; E425-R428 IonicContact OE1-NH1 2.71Å; E425-R428 PolarHBondContact OE1-NH1 3.39Å; R428-A431 PolarHBondContact O-N 2.87Å; R428-A432 PolarHBondContact O-N 3.22Å |
| 429 | A | 94.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 91.4 Ų | 91.4 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | E425 A431 A432 E433 | E425-A429 WeakPolarHBondContact O-CB 3.45Å; E425-A429 PolarHBondContact O-N 3.07Å; A429-A431 VanDerWaalsContact C-N 3.3Å; A429-A431 PolarHBondContact O-N 3.5Å; A429-A432 PolarHBondContact O-N 3.11Å; A429-E433 WeakPolarHBondContact O-CB 3.23Å; A429-E433 PolarHBondContact O-N 2.9Å |
| 430 | A | 96.6 | Very high | 96.4 | Very high | 29 Ų | 29 | 90.8 Ų | 90.8 | 24% | 0.24 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -66.8 | -27.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K426 D427 K434 | K426-A430 WeakPolarHBondContact O-CB 3.42Å; K426-A430 PolarHBondContact O-N 3Å; D427-A430 PolarHBondContact O-N 2.8Å; A430-K434 VanDerWaalsContact O-CG 3.31Å; A430-K434 WeakPolarHBondContact O-CG 3.46Å; A430-K434 PolarHBondContact O-N 2.86Å; A430-K434 VanDerWaalsContact O-N 3.16Å |
| 431 | A | 96.7 | Very high | 96.3 | Very high | 52 Ų | 52 | 91 Ų | 91 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.6 | -45.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D427 R428 A429 E433 K434 D435 | D427-A431 WeakPolarHBondContact O-CB 3.33Å; D427-A431 PolarHBondContact O-N 3.39Å; R428-A431 PolarHBondContact O-N 2.87Å; A429-A431 VanDerWaalsContact C-N 3.3Å; A429-A431 PolarHBondContact O-N 3.5Å; A431-E433 VanDerWaalsContact C-N 3.32Å; A431-E433 PolarHBondContact O-N 3.27Å; A431-K434 PolarHBondContact O-N 2.83Å; A431-D435 PolarHBondContact O-N 2.9Å |
| 432 | A | 96.3 | Very high | 96.3 | Very high | 60 Ų | 60 | 91.4 Ų | 91.4 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -35.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R428 A429 D435 A436 | R428-A432 PolarHBondContact O-N 3.22Å; A429-A432 PolarHBondContact O-N 3.11Å; A432-D435 PolarHBondContact O-N 2.78Å; A432-A436 WeakPolarHBondContact O-CB 3.43Å; A432-A436 PolarHBondContact O-N 3.48Å |
| 433 | E | 95.6 | Very high | 96.3 | Very high | 133 Ų | 133 | 93.6 Ų | 93.6 | 62% | 0.621 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.5 | -50.3 | 171.1 | -177.6 | -171.7 | -173.4 | 0 | 0 | 111 | A429 A431 D435 A436 Q437 | A429-E433 WeakPolarHBondContact O-CB 3.23Å; A429-E433 PolarHBondContact O-N 2.9Å; A431-E433 VanDerWaalsContact C-N 3.32Å; A431-E433 PolarHBondContact O-N 3.27Å; E433-D435 VanDerWaalsContact C-N 3.35Å; E433-D435 PolarHBondContact O-N 3.01Å; E433-A436 PolarHBondContact O-N 3.13Å; E433-Q437 WeakPolarHBondContact O-CB 3.47Å; E433-Q437 PolarHBondContact O-N 3.32Å |
| 434 | K | 96.6 | Very high | 96.3 | Very high | 153 Ų | 153 | 93 Ų | 93 | 67% | 0.665 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 177.1 | -75.7 | 172.4 | -179.2 | 177.7 | 0 | 112.7 | A430 A431 Q437 A438 | A430-K434 VanDerWaalsContact O-CG 3.31Å; A430-K434 WeakPolarHBondContact O-CG 3.46Å; A430-K434 PolarHBondContact O-N 2.86Å; A430-K434 VanDerWaalsContact O-N 3.16Å; A431-K434 PolarHBondContact O-N 2.83Å; K434-Q437 PolarHBondContact O-N 3.26Å; K434-A438 WeakPolarHBondContact O-CB 3.44Å; K434-A438 PolarHBondContact O-N 2.86Å |
| 435 | D | 96.8 | Very high | 96.2 | Very high | 94 Ų | 94 | 94.3 Ų | 94.3 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 174.4 | -92.9 | 20.6 | 0 | 0 | 0 | 112.2 | A431 A432 E433 R439 | A431-D435 PolarHBondContact O-N 2.9Å; A432-D435 PolarHBondContact O-N 2.78Å; E433-D435 VanDerWaalsContact C-N 3.35Å; E433-D435 PolarHBondContact O-N 3.01Å; D435-R439 WeakPolarHBondContact O-CD 3.48Å; D435-R439 WeakPolarHBondContact O-CG 3.42Å; D435-R439 PolarHBondContact O-N 3.07Å; D435-R439 PolarHBondContact O-NE 3.27Å; D435-R439 IonicContact OD2-NH2 3.64Å |
| 436 | A | 94.7 | Very high | 96.2 | Very high | 57 Ų | 57 | 94.4 Ų | 94.4 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A432 E433 R439 Y440 | A432-A436 WeakPolarHBondContact O-CB 3.43Å; A432-A436 PolarHBondContact O-N 3.48Å; E433-A436 PolarHBondContact O-N 3.13Å; A436-R439 PolarHBondContact O-N 3.16Å; A436-Y440 PolarHBondContact O-N 3.49Å |
| 437 | Q | 96.1 | Very high | 96 | Very high | 94 Ų | 94 | 94.9 Ų | 94.9 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 176.1 | -171 | 62.5 | 44.8 | 0 | 0 | 110.9 | E433 K434 R439 Y440 D441 | E433-Q437 WeakPolarHBondContact O-CB 3.47Å; E433-Q437 PolarHBondContact O-N 3.32Å; K434-Q437 PolarHBondContact O-N 3.26Å; Q437-R439 VanDerWaalsContact C-N 3.29Å; Q437-R439 PolarHBondContact O-N 2.98Å; Q437-Y440 CarbonylContact O-C 3.57Å; Q437-Y440 WeakPolarHBondContact O-CA 3.38Å; Q437-Y440 WeakPolarHBondContact O-CB 3.48Å; Q437-Y440 PolarHBondContact O-N 3.03Å; Q437-D441 PolarHBondContact NE2-OD1 2.92Å; Q437-D441 PolarHBondContact O-N 2.86Å |
| 438 | A | 96.7 | Very high | 96 | Very high | 45 Ų | 45 | 98.5 Ų | 98.5 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K434 Q442 | K434-A438 WeakPolarHBondContact O-CB 3.44Å; K434-A438 PolarHBondContact O-N 2.86Å; A438-Q442 WeakPolarHBondContact O-CB 3.5Å; A438-Q442 WeakPolarHBondContact O-CG 3.37Å; A438-Q442 PolarHBondContact O-N 3.47Å |
| 439 | R | 96.5 | Very high | 95.8 | Very high | 165 Ų | 165 | 97.4 Ų | 97.4 | 62% | 0.623 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.4 | -37.5 | 172.8 | -68.4 | 166.5 | -157 | -161.4 | 7 | 112.2 | D435 A436 Q437 L443 | D435-R439 WeakPolarHBondContact O-CD 3.48Å; D435-R439 WeakPolarHBondContact O-CG 3.42Å; D435-R439 PolarHBondContact O-N 3.07Å; D435-R439 PolarHBondContact O-NE 3.27Å; D435-R439 IonicContact OD2-NH2 3.64Å; A436-R439 PolarHBondContact O-N 3.16Å; Q437-R439 VanDerWaalsContact C-N 3.29Å; Q437-R439 PolarHBondContact O-N 2.98Å; R439-L443 WeakPolarHBondContact O-CB 3.48Å; R439-L443 PolarHBondContact O-N 3.37Å |
| 440 | Y | 95.8 | Very high | 95.8 | Very high | 126 Ų | 126 | 100.3 Ų | 100.3 | 49% | 0.494 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 175.2 | 175.2 | -100.8 | 0 | 0 | 0 | 111.6 | A436 Q437 L443 L444 | A436-Y440 PolarHBondContact O-N 3.49Å; Q437-Y440 CarbonylContact O-C 3.57Å; Q437-Y440 WeakPolarHBondContact O-CA 3.38Å; Q437-Y440 WeakPolarHBondContact O-CB 3.48Å; Q437-Y440 PolarHBondContact O-N 3.03Å; Y440-L443 CarbonylContact O-C 3.47Å; Y440-L443 WeakPolarHBondContact O-CB 3.47Å; Y440-L443 PolarHBondContact O-N 3.34Å; Y440-L443 VanDerWaalsContact O-N 3.13Å; Y440-L444 HydrophobicContact CD1-CD1 4Å; Y440-L444 HydrophobicContact CD1-CG 4.33Å; Y440-L444 HydrophobicContact CE1-CD1 3.37Å; Y440-L444 HydrophobicContact CE1-CG 3.9Å; Y440-L444 HydrophobicContact CE2-CG 4.38Å; Y440-L444 PolarHBondContact O-N 2.77Å |
| 441 | D | 96.5 | Very high | 95.7 | Very high | 73 Ų | 73 | 103.2 Ų | 103.2 | 39% | 0.39 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 177.4 | -62 | -25 | 0 | 0 | 0 | 111 | Q437 L443 L444 E445 | Q437-D441 PolarHBondContact NE2-OD1 2.92Å; Q437-D441 PolarHBondContact O-N 2.86Å; D441-L443 VanDerWaalsContact C-N 3.33Å; D441-L443 PolarHBondContact O-N 3.18Å; D441-L444 WeakPolarHBondContact O-CB 3.44Å; D441-L444 PolarHBondContact O-N 3.35Å; D441-E445 PolarHBondContact O-N 3.3Å |
| 442 | Q | 96.3 | Very high | 95.6 | Very high | 110 Ų | 110 | 106.5 Ų | 106.5 | 51% | 0.514 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 170.1 | -75.2 | 168.7 | 18.4 | 0 | 0 | 112.4 | A438 E445 Q446 | A438-Q442 WeakPolarHBondContact O-CB 3.5Å; A438-Q442 WeakPolarHBondContact O-CG 3.37Å; A438-Q442 PolarHBondContact O-N 3.47Å; Q442-E445 PolarHBondContact O-N 2.86Å; Q442-Q446 VanDerWaalsContact O-CG 3.3Å; Q442-Q446 WeakPolarHBondContact O-CG 3.43Å; Q442-Q446 PolarHBondContact O-N 3.49Å |
| 443 | L | 96.1 | Very high | 95.5 | Very high | 106 Ų | 106 | 105.4 Ų | 105.4 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -34.8 | 177.3 | -168.7 | 68.8 | 0 | 0 | 0 | 111.7 | R439 Y440 D441 Q446 F447 | R439-L443 WeakPolarHBondContact O-CB 3.48Å; R439-L443 PolarHBondContact O-N 3.37Å; Y440-L443 CarbonylContact O-C 3.47Å; Y440-L443 WeakPolarHBondContact O-CB 3.47Å; Y440-L443 PolarHBondContact O-N 3.34Å; Y440-L443 VanDerWaalsContact O-N 3.13Å; D441-L443 VanDerWaalsContact C-N 3.33Å; D441-L443 PolarHBondContact O-N 3.18Å; L443-Q446 PolarHBondContact O-N 3.32Å; L443-F447 VanDerWaalsContact O-CB 3.3Å; L443-F447 WeakPolarHBondContact O-CB 3.27Å; L443-F447 PolarHBondContact O-N 2.9Å |
| 444 | L | 95.8 | Very high | 95.4 | Very high | 51 Ų | 51 | 102.8 Ų | 102.8 | 27% | 0.267 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 171.4 | -76.6 | -176.5 | 0 | 0 | 0 | 112.2 | Y440 D441 F447 R448 | Y440-L444 HydrophobicContact CD1-CD1 4Å; Y440-L444 HydrophobicContact CD1-CG 4.33Å; Y440-L444 HydrophobicContact CE1-CD1 3.37Å; Y440-L444 HydrophobicContact CE1-CG 3.9Å; Y440-L444 HydrophobicContact CE2-CG 4.38Å; Y440-L444 PolarHBondContact O-N 2.77Å; D441-L444 WeakPolarHBondContact O-CB 3.44Å; D441-L444 PolarHBondContact O-N 3.35Å; L444-F447 PolarHBondContact O-N 2.84Å; L444-R448 WeakPolarHBondContact O-CB 3.42Å; L444-R448 VanDerWaalsContact O-CG 3.27Å; L444-R448 WeakPolarHBondContact O-CG 3.46Å; L444-R448 PolarHBondContact O-N 2.86Å |
| 445 | E | 95.6 | Very high | 95.3 | Very high | 116 Ų | 116 | 99.5 Ų | 99.5 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 173.6 | -73.3 | -164 | 133.9 | 0 | 0 | 111.8 | D441 Q442 F447 R448 Q449 | D441-E445 PolarHBondContact O-N 3.3Å; Q442-E445 PolarHBondContact O-N 2.86Å; E445-F447 VanDerWaalsContact C-N 3.34Å; E445-F447 PolarHBondContact O-N 3.46Å; E445-R448 PolarHBondContact O-N 2.71Å; E445-Q449 WeakPolarHBondContact O-CB 3.38Å; E445-Q449 VanDerWaalsContact O-CG 3.28Å; E445-Q449 WeakPolarHBondContact O-CG 3.22Å; E445-Q449 PolarHBondContact O-N 2.95Å |
| 446 | Q | 95.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 97.9 Ų | 97.9 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 172.6 | -71.5 | 170.8 | 24.3 | 0 | 0 | 111.5 | Q442 L443 Q449 L450 | Q442-Q446 VanDerWaalsContact O-CG 3.3Å; Q442-Q446 WeakPolarHBondContact O-CG 3.43Å; Q442-Q446 PolarHBondContact O-N 3.49Å; L443-Q446 PolarHBondContact O-N 3.32Å; Q446-Q449 PolarHBondContact O-N 2.82Å; Q446-L450 WeakPolarHBondContact O-CB 3.26Å; Q446-L450 VanDerWaalsContact O-CG 3.32Å; Q446-L450 WeakPolarHBondContact O-CG 3.36Å; Q446-L450 PolarHBondContact O-N 3.12Å |
| 447 | F | 93.8 | Very high | 95.2 | Very high | 129 Ų | 129 | 102.4 Ų | 102.4 | 57% | 0.566 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -43.3 | 176 | -176.6 | -91.5 | 0 | 0 | 0 | 111.8 | L443 L444 E445 L450 Q451 | L443-F447 VanDerWaalsContact O-CB 3.3Å; L443-F447 WeakPolarHBondContact O-CB 3.27Å; L443-F447 PolarHBondContact O-N 2.9Å; L444-F447 PolarHBondContact O-N 2.84Å; E445-F447 VanDerWaalsContact C-N 3.34Å; E445-F447 PolarHBondContact O-N 3.46Å; F447-L450 PolarHBondContact O-N 3.36Å; F447-Q451 VanDerWaalsContact O-CB 3.28Å; F447-Q451 WeakPolarHBondContact O-CB 3.25Å; F447-Q451 PolarHBondContact O-N 3.13Å |
| 448 | R | 95.4 | Very high | 95.1 | Very high | 152 Ų | 152 | 102.4 Ų | 102.4 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -40.3 | 175.1 | -75.9 | 170.1 | 177.3 | 164.6 | 1.1 | 112.5 | L444 E445 Q451 L452 | L444-R448 WeakPolarHBondContact O-CB 3.42Å; L444-R448 VanDerWaalsContact O-CG 3.27Å; L444-R448 WeakPolarHBondContact O-CG 3.46Å; L444-R448 PolarHBondContact O-N 2.86Å; E445-R448 PolarHBondContact O-N 2.71Å; R448-Q451 PolarHBondContact O-N 3.49Å; R448-L452 WeakPolarHBondContact O-CB 3.44Å; R448-L452 VanDerWaalsContact O-CG 3.29Å; R448-L452 WeakPolarHBondContact O-CG 3.21Å; R448-L452 PolarHBondContact O-N 2.76Å |
| 449 | Q | 94.5 | Very high | 94.9 | Very high | 134 Ų | 134 | 103.2 Ų | 103.2 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -44.1 | 175.8 | -72.6 | 172.8 | 21.1 | 0 | 0 | 111.5 | E445 Q446 G453 | E445-Q449 WeakPolarHBondContact O-CB 3.38Å; E445-Q449 VanDerWaalsContact O-CG 3.28Å; E445-Q449 WeakPolarHBondContact O-CG 3.22Å; E445-Q449 PolarHBondContact O-N 2.95Å; Q446-Q449 PolarHBondContact O-N 2.82Å; Q449-G453 PolarHBondContact O-N 3.44Å |
| 450 | L | 94.2 | Very high | 94.9 | Very high | 122 Ų | 122 | 99.2 Ų | 99.2 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -43.6 | 173.3 | -73.6 | 169.9 | 0 | 0 | 0 | 111.4 | Q446 F447 G453 T454 | Q446-L450 WeakPolarHBondContact O-CB 3.26Å; Q446-L450 VanDerWaalsContact O-CG 3.32Å; Q446-L450 WeakPolarHBondContact O-CG 3.36Å; Q446-L450 PolarHBondContact O-N 3.12Å; F447-L450 PolarHBondContact O-N 3.36Å; L450-G453 CarbonylContact O-C 3.59Å; L450-G453 PolarHBondContact O-N 3.04Å; L450-T454 PolarHBondContact O-N 3.11Å; L450-T454 PolarHBondContact O-OG1 2.87Å |
| 451 | Q | 95.1 | Very high | 94.7 | Very high | 91 Ų | 91 | 97.7 Ų | 97.7 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 177.9 | -175.4 | 178.8 | -8.8 | 0 | 0 | 111.4 | F447 R448 G453 T454 D455 | F447-Q451 VanDerWaalsContact O-CB 3.28Å; F447-Q451 WeakPolarHBondContact O-CB 3.25Å; F447-Q451 PolarHBondContact O-N 3.13Å; R448-Q451 PolarHBondContact O-N 3.49Å; Q451-G453 VanDerWaalsContact C-N 3.27Å; Q451-G453 PolarHBondContact O-N 2.78Å; Q451-T454 WeakPolarHBondContact CA-OG1 3.35Å; Q451-T454 PolarHBondContact O-N 2.97Å; Q451-T454 VanDerWaalsContact O-N 3.12Å; Q451-T454 PolarHBondContact O-OG1 3.04Å; Q451-D455 WeakPolarHBondContact O-CB 3.36Å; Q451-D455 VanDerWaalsContact O-CG 3.23Å; Q451-D455 PolarHBondContact O-N 3.34Å |
| 452 | L | 94.1 | Very high | 94.6 | Very high | 120 Ų | 120 | 96.6 Ų | 96.6 | 63% | 0.628 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -38.6 | 174.6 | -73.6 | 168.1 | 0 | 0 | 0 | 111.9 | R448 D455 S456 | R448-L452 WeakPolarHBondContact O-CB 3.44Å; R448-L452 VanDerWaalsContact O-CG 3.29Å; R448-L452 WeakPolarHBondContact O-CG 3.21Å; R448-L452 PolarHBondContact O-N 2.76Å; L452-D455 PolarHBondContact O-N 2.65Å; L452-S456 WeakPolarHBondContact O-CB 3.38Å; L452-S456 PolarHBondContact O-N 3.39Å; L452-S456 PolarHBondContact O-OG 3.28Å |
| 453 | G | 94.2 | Very high | 94.5 | Very high | 37 Ų | 37 | 94.1 Ų | 94.1 | 38% | 0.381 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -34 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q449 L450 Q451 S456 R457 | Q449-G453 PolarHBondContact O-N 3.44Å; L450-G453 CarbonylContact O-C 3.59Å; L450-G453 PolarHBondContact O-N 3.04Å; Q451-G453 VanDerWaalsContact C-N 3.27Å; Q451-G453 PolarHBondContact O-N 2.78Å; G453-S456 PolarHBondContact O-OG 3.1Å; G453-S456 VanDerWaalsContact O-OG 3.11Å; G453-R457 VanDerWaalsContact O-CB 3.25Å; G453-R457 WeakPolarHBondContact O-CB 3.24Å; G453-R457 PolarHBondContact O-N 2.98Å; G453-R457 VanDerWaalsContact O-N 3.15Å |
| 454 | T | 92.8 | Very high | 94.3 | Very high | 78 Ų | 78 | 93.5 Ų | 93.5 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.8 | -38.2 | 171.9 | 49.9 | 0 | 0 | 0 | 0 | 112 | L450 Q451 R457 V458 | L450-T454 PolarHBondContact O-N 3.11Å; L450-T454 PolarHBondContact O-OG1 2.87Å; Q451-T454 WeakPolarHBondContact CA-OG1 3.35Å; Q451-T454 PolarHBondContact O-N 2.97Å; Q451-T454 VanDerWaalsContact O-N 3.12Å; Q451-T454 PolarHBondContact O-OG1 3.04Å; T454-R457 CarbonylContact O-C 3.56Å; T454-R457 PolarHBondContact O-N 3.19Å; T454-V458 WeakPolarHBondContact O-CB 3.42Å; T454-V458 VanDerWaalsContact O-CG2 3.27Å; T454-V458 WeakPolarHBondContact O-CG2 3.35Å; T454-V458 PolarHBondContact O-N 3.23Å |
| 455 | D | 95.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 94 Ų | 94 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 179.2 | -70.5 | -19.6 | 0 | 0 | 0 | 110.7 | Q451 L452 V458 A459 | Q451-D455 WeakPolarHBondContact O-CB 3.36Å; Q451-D455 VanDerWaalsContact O-CG 3.23Å; Q451-D455 PolarHBondContact O-N 3.34Å; L452-D455 PolarHBondContact O-N 2.65Å; D455-V458 PolarHBondContact O-N 3.45Å; D455-A459 WeakPolarHBondContact O-CB 3.42Å; D455-A459 PolarHBondContact O-N 3.01Å |
| 456 | S | 94.1 | Very high | 94.1 | Very high | 60 Ų | 60 | 94.1 Ų | 94.1 | 42% | 0.42 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 171.3 | 72 | 0 | 0 | 0 | 0 | 111.5 | L452 G453 V458 A459 E460 | L452-S456 WeakPolarHBondContact O-CB 3.38Å; L452-S456 PolarHBondContact O-N 3.39Å; L452-S456 PolarHBondContact O-OG 3.28Å; G453-S456 PolarHBondContact O-OG 3.1Å; G453-S456 VanDerWaalsContact O-OG 3.11Å; S456-V458 VanDerWaalsContact C-N 3.35Å; S456-V458 PolarHBondContact O-N 3Å; S456-A459 PolarHBondContact O-N 2.95Å; S456-E460 WeakPolarHBondContact O-CG 3.21Å; S456-E460 PolarHBondContact O-N 3.36Å |
| 457 | R | 94.3 | Very high | 93.9 | Very high | 151 Ų | 151 | 94.2 Ų | 94.2 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.6 | -36.7 | 176.6 | -164.9 | 59.3 | 154.8 | -167.7 | -5.3 | 112.8 | G453 T454 E460 L461 | G453-R457 VanDerWaalsContact O-CB 3.25Å; G453-R457 WeakPolarHBondContact O-CB 3.24Å; G453-R457 PolarHBondContact O-N 2.98Å; G453-R457 VanDerWaalsContact O-N 3.15Å; T454-R457 CarbonylContact O-C 3.56Å; T454-R457 PolarHBondContact O-N 3.19Å; R457-E460 WeakPolarHBondContact CD-OE2 3.33Å; R457-E460 IonicContact CZ-OE2 3.19Å; R457-E460 IonicContact NE-OE2 3.69Å; R457-E460 IonicContact NH1-OE2 3.44Å; R457-E460 PolarHBondContact NH1-OE2 3.46Å; R457-L461 HydrophobicContact CG-CD1 4.35Å; R457-L461 WeakPolarHBondContact O-CB 3.34Å; R457-L461 VanDerWaalsContact O-CG 3.25Å; R457-L461 WeakPolarHBondContact O-CG 3.43Å; R457-L461 PolarHBondContact O-N 3.15Å |
| 458 | V | 94.1 | Very high | 93.9 | Very high | 95 Ų | 95 | 93.7 Ų | 93.7 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.1 | -37.4 | 174.4 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | T454 D455 S456 S462 | T454-V458 WeakPolarHBondContact O-CB 3.42Å; T454-V458 VanDerWaalsContact O-CG2 3.27Å; T454-V458 WeakPolarHBondContact O-CG2 3.35Å; T454-V458 PolarHBondContact O-N 3.23Å; D455-V458 PolarHBondContact O-N 3.45Å; S456-V458 VanDerWaalsContact C-N 3.35Å; S456-V458 PolarHBondContact O-N 3Å; V458-S462 WeakPolarHBondContact O-CB 3.22Å; V458-S462 PolarHBondContact O-N 3.07Å |
| 459 | A | 94.1 | Very high | 93.8 | Very high | 61 Ų | 61 | 88.8 Ų | 88.8 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D455 S456 S462 S463 | D455-A459 WeakPolarHBondContact O-CB 3.42Å; D455-A459 PolarHBondContact O-N 3.01Å; S456-A459 PolarHBondContact O-N 2.95Å; A459-S462 PolarHBondContact O-N 3.32Å; A459-S463 WeakPolarHBondContact O-CB 3.29Å; A459-S463 PolarHBondContact O-N 2.86Å; A459-S463 PolarHBondContact O-OG 2.93Å |
| 460 | E | 94.4 | Very high | 93.8 | Very high | 81 Ų | 81 | 88.6 Ų | 88.6 | 38% | 0.379 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -52.7 | -59.4 | 170.9 | -77.3 | 172.7 | -175 | 0 | 0 | 110.2 | S456 R457 S462 S463 Q464 | S456-E460 WeakPolarHBondContact O-CG 3.21Å; S456-E460 PolarHBondContact O-N 3.36Å; R457-E460 WeakPolarHBondContact CD-OE2 3.33Å; R457-E460 IonicContact CZ-OE2 3.19Å; R457-E460 IonicContact NE-OE2 3.69Å; R457-E460 IonicContact NH1-OE2 3.44Å; R457-E460 PolarHBondContact NH1-OE2 3.46Å; E460-S462 VanDerWaalsContact C-N 3.32Å; E460-S462 PolarHBondContact O-N 3.47Å; E460-S463 PolarHBondContact O-N 2.9Å; E460-S463 VanDerWaalsContact O-N 3.11Å; E460-S463 PolarHBondContact O-OG 3.47Å; E460-Q464 WeakPolarHBondContact O-CG 3.5Å; E460-Q464 PolarHBondContact O-N 2.93Å |
| 461 | L | 92 | Very high | 93.7 | Very high | 95 Ų | 95 | 88.2 Ų | 88.2 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | -178.9 | -69.9 | 169.6 | 0 | 0 | 0 | 112.7 | R457 Q464 A465 | R457-L461 HydrophobicContact CG-CD1 4.35Å; R457-L461 WeakPolarHBondContact O-CB 3.34Å; R457-L461 VanDerWaalsContact O-CG 3.25Å; R457-L461 WeakPolarHBondContact O-CG 3.43Å; R457-L461 PolarHBondContact O-N 3.15Å; L461-Q464 PolarHBondContact O-N 3.34Å; L461-A465 VanDerWaalsContact O-CB 3.27Å; L461-A465 WeakPolarHBondContact O-CB 3.49Å; L461-A465 PolarHBondContact O-N 3.49Å |
| 462 | S | 94 | Very high | 93.5 | Very high | 49 Ų | 49 | 86.8 Ų | 86.8 | 34% | 0.343 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 112 | V458 A459 E460 K466 | V458-S462 WeakPolarHBondContact O-CB 3.22Å; V458-S462 PolarHBondContact O-N 3.07Å; A459-S462 PolarHBondContact O-N 3.32Å; E460-S462 VanDerWaalsContact C-N 3.32Å; E460-S462 PolarHBondContact O-N 3.47Å; S462-K466 WeakPolarHBondContact O-CD 3.32Å; S462-K466 VanDerWaalsContact O-CG 3.26Å; S462-K466 WeakPolarHBondContact O-CG 3.35Å; S462-K466 PolarHBondContact O-N 3Å; S462-K466 PolarHBondContact OG-NZ 2.9Å |
| 463 | S | 94.4 | Very high | 93.4 | Very high | 58 Ų | 58 | 86.3 Ų | 86.3 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.1 | -41.2 | 175.7 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | A459 E460 K466 L467 | A459-S463 WeakPolarHBondContact O-CB 3.29Å; A459-S463 PolarHBondContact O-N 2.86Å; A459-S463 PolarHBondContact O-OG 2.93Å; E460-S463 PolarHBondContact O-N 2.9Å; E460-S463 VanDerWaalsContact O-N 3.11Å; E460-S463 PolarHBondContact O-OG 3.47Å; S463-K466 PolarHBondContact O-N 3.38Å; S463-L467 WeakPolarHBondContact O-CG 3.32Å; S463-L467 PolarHBondContact O-N 3.11Å |
| 464 | Q | 93.1 | Very high | 93.4 | Very high | 94 Ų | 94 | 93 Ų | 93 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -44 | 174.1 | -70.1 | 171.5 | 7.5 | 0 | 0 | 111.4 | E460 L461 K466 L467 H468 | E460-Q464 WeakPolarHBondContact O-CG 3.5Å; E460-Q464 PolarHBondContact O-N 2.93Å; L461-Q464 PolarHBondContact O-N 3.34Å; Q464-K466 VanDerWaalsContact C-N 3.32Å; Q464-K466 PolarHBondContact O-N 3.02Å; Q464-L467 PolarHBondContact O-N 3.4Å; Q464-H468 PolarHBondContact O-CD2 3.48Å; Q464-H468 PolarHBondContact O-N 3.39Å |
| 465 | A | 90.6 | Very high | 93.3 | Very high | 61 Ų | 61 | 91.9 Ų | 91.9 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L461 S469 | L461-A465 VanDerWaalsContact O-CB 3.27Å; L461-A465 WeakPolarHBondContact O-CB 3.49Å; L461-A465 PolarHBondContact O-N 3.49Å; A465-S469 PolarHBondContact O-N 2.76Å; A465-S469 PolarHBondContact O-OG 3.04Å |
| 466 | K | 95.2 | Very high | 93.2 | Very high | 119 Ų | 119 | 92.3 Ų | 92.3 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 174.1 | -73.8 | 163.1 | -178.1 | 157.3 | 0 | 112.5 | S462 S463 Q464 S469 F470 | S462-K466 WeakPolarHBondContact O-CD 3.32Å; S462-K466 VanDerWaalsContact O-CG 3.26Å; S462-K466 WeakPolarHBondContact O-CG 3.35Å; S462-K466 PolarHBondContact O-N 3Å; S462-K466 PolarHBondContact OG-NZ 2.9Å; S463-K466 PolarHBondContact O-N 3.38Å; Q464-K466 VanDerWaalsContact C-N 3.32Å; Q464-K466 PolarHBondContact O-N 3.02Å; K466-S469 WeakPolarHBondContact CA-OG 3.09Å; K466-S469 PolarHBondContact O-N 3.36Å; K466-S469 PolarHBondContact O-OG 2.88Å; K466-F470 HydrophobicContact CB-CE2 4.42Å; K466-F470 WeakPolarHBondContact O-CD2 3.45Å; K466-F470 WeakPolarHBondContact O-CG 3.38Å; K466-F470 PolarHBondContact O-N 2.85Å |
| 467 | L | 92.9 | Very high | 93.2 | Very high | 107 Ų | 107 | 94.3 Ų | 94.3 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -48.5 | 174.1 | -72.4 | 169.9 | 0 | 0 | 0 | 110.4 | S463 Q464 S469 F470 E471 | S463-L467 WeakPolarHBondContact O-CG 3.32Å; S463-L467 PolarHBondContact O-N 3.11Å; Q464-L467 PolarHBondContact O-N 3.4Å; L467-S469 VanDerWaalsContact C-N 3.33Å; L467-S469 PolarHBondContact O-N 3.09Å; L467-F470 PolarHBondContact O-N 3.12Å; L467-E471 WeakPolarHBondContact O-CG 3.3Å; L467-E471 PolarHBondContact O-N 2.87Å |
| 468 | H | 93 | Very high | 93.1 | Very high | 118 Ų | 118 | 91.1 Ų | 91.1 | 55% | 0.546 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -30.7 | 176.8 | -68 | -35.3 | 0 | 0 | 0 | 113.6 | Q464 E471 A472 | Q464-H468 PolarHBondContact O-CD2 3.48Å; Q464-H468 PolarHBondContact O-N 3.39Å; H468-E471 IonicContact CE1-OE2 3.6Å; H468-E471 IonicContact CG-OE2 3.39Å; H468-E471 IonicContact ND1-OE2 3.87Å; H468-E471 PolarHBondContact ND1-OE2 3.45Å; H468-A472 VanDerWaalsContact O-CB 3.24Å; H468-A472 WeakPolarHBondContact O-CB 3.39Å; H468-A472 PolarHBondContact O-N 2.82Å |
| 469 | S | 94.2 | Very high | 93.1 | Very high | 49 Ų | 49 | 93 Ų | 93 | 34% | 0.343 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 171.7 | 67.7 | 0 | 0 | 0 | 0 | 111.8 | A465 K466 L467 E471 A472 E473 | A465-S469 PolarHBondContact O-N 2.76Å; A465-S469 PolarHBondContact O-OG 3.04Å; K466-S469 WeakPolarHBondContact CA-OG 3.09Å; K466-S469 PolarHBondContact O-N 3.36Å; K466-S469 PolarHBondContact O-OG 2.88Å; L467-S469 VanDerWaalsContact C-N 3.33Å; L467-S469 PolarHBondContact O-N 3.09Å; S469-E471 PolarHBondContact O-N 3.34Å; S469-A472 PolarHBondContact O-N 3.04Å; S469-E473 WeakPolarHBondContact O-CB 3.25Å; S469-E473 VanDerWaalsContact O-CG 3.3Å; S469-E473 WeakPolarHBondContact O-CG 3.49Å; S469-E473 PolarHBondContact O-N 3.45Å |
| 470 | F | 94.3 | Very high | 93 | Very high | 130 Ų | 130 | 93.5 Ų | 93.5 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.5 | -36.2 | 174 | -64.1 | -45.2 | 0 | 0 | 0 | 112.8 | K466 L467 R474 | K466-F470 HydrophobicContact CB-CE2 4.42Å; K466-F470 WeakPolarHBondContact O-CD2 3.45Å; K466-F470 WeakPolarHBondContact O-CG 3.38Å; K466-F470 PolarHBondContact O-N 2.85Å; L467-F470 PolarHBondContact O-N 3.12Å; F470-R474 VanDerWaalsContact O-CB 3.23Å; F470-R474 WeakPolarHBondContact O-CB 3.18Å; F470-R474 PolarHBondContact O-N 3.41Å |
| 471 | E | 92.5 | Very high | 92.9 | Very high | 114 Ų | 114 | 95.3 Ų | 95.3 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 172.3 | -72.4 | 174.3 | 151.9 | 0 | 0 | 111.6 | L467 H468 S469 A475 | L467-E471 WeakPolarHBondContact O-CG 3.3Å; L467-E471 PolarHBondContact O-N 2.87Å; H468-E471 IonicContact CE1-OE2 3.6Å; H468-E471 IonicContact CG-OE2 3.39Å; H468-E471 IonicContact ND1-OE2 3.87Å; H468-E471 PolarHBondContact ND1-OE2 3.45Å; S469-E471 PolarHBondContact O-N 3.34Å; E471-A475 VanDerWaalsContact O-CB 3.3Å; E471-A475 WeakPolarHBondContact O-CB 3.15Å; E471-A475 PolarHBondContact O-N 3.32Å |
| 472 | A | 89.7 | Confident | 92.8 | Very high | 60 Ų | 60 | 95.1 Ų | 95.1 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H468 S469 A475 H476 | H468-A472 VanDerWaalsContact O-CB 3.24Å; H468-A472 WeakPolarHBondContact O-CB 3.39Å; H468-A472 PolarHBondContact O-N 2.82Å; S469-A472 PolarHBondContact O-N 3.04Å; A472-A475 PolarHBondContact O-N 2.91Å; A472-H476 WeakPolarHBondContact O-CB 3.47Å; A472-H476 PolarHBondContact O-N 2.75Å |
| 473 | E | 92.7 | Very high | 92.7 | Very high | 110 Ų | 110 | 95.4 Ų | 95.4 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 173.1 | -76.3 | 168.6 | -167.9 | 0 | 0 | 110.9 | S469 A475 H476 L477 | S469-E473 WeakPolarHBondContact O-CB 3.25Å; S469-E473 VanDerWaalsContact O-CG 3.3Å; S469-E473 WeakPolarHBondContact O-CG 3.49Å; S469-E473 PolarHBondContact O-N 3.45Å; E473-A475 VanDerWaalsContact C-N 3.34Å; E473-A475 PolarHBondContact O-N 3.46Å; E473-H476 WeakPolarHBondContact O-CB 3.27Å; E473-H476 PolarHBondContact O-N 2.84Å; E473-H476 VanDerWaalsContact O-N 3.13Å; E473-L477 WeakPolarHBondContact O-CG 3.38Å; E473-L477 PolarHBondContact O-N 2.91Å |
| 474 | R | 94.6 | Very high | 92.7 | Very high | 178 Ų | 178 | 98 Ų | 98 | 67% | 0.672 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 174.8 | -179.9 | -178.5 | 172.9 | -151.3 | -2.8 | 111.9 | F470 H476 L477 L478 | F470-R474 VanDerWaalsContact O-CB 3.23Å; F470-R474 WeakPolarHBondContact O-CB 3.18Å; F470-R474 PolarHBondContact O-N 3.41Å; R474-H476 VanDerWaalsContact C-N 3.33Å; R474-L477 PolarHBondContact O-N 2.92Å; R474-L478 HydrophobicContact CG-CD1 4.24Å; R474-L478 WeakPolarHBondContact O-CG 3.33Å; R474-L478 PolarHBondContact O-N 3.27Å |
| 475 | A | 90.6 | Very high | 92.6 | Very high | 55 Ų | 55 | 95.7 Ų | 95.7 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -34.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E471 A472 E473 K479 | E471-A475 VanDerWaalsContact O-CB 3.3Å; E471-A475 WeakPolarHBondContact O-CB 3.15Å; E471-A475 PolarHBondContact O-N 3.32Å; A472-A475 PolarHBondContact O-N 2.91Å; E473-A475 VanDerWaalsContact C-N 3.34Å; E473-A475 PolarHBondContact O-N 3.46Å; A475-K479 VanDerWaalsContact O-CB 3.23Å; A475-K479 WeakPolarHBondContact O-CB 3.44Å; A475-K479 PolarHBondContact O-N 3.23Å |
| 476 | H | 93 | Very high | 92.6 | Very high | 93 Ų | 93 | 97.6 Ų | 97.6 | 43% | 0.431 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 175.4 | -161.6 | -79.7 | 0 | 0 | 0 | 111.9 | A472 E473 R474 K479 E480 | A472-H476 WeakPolarHBondContact O-CB 3.47Å; A472-H476 PolarHBondContact O-N 2.75Å; E473-H476 WeakPolarHBondContact O-CB 3.27Å; E473-H476 PolarHBondContact O-N 2.84Å; E473-H476 VanDerWaalsContact O-N 3.13Å; R474-H476 VanDerWaalsContact C-N 3.33Å; H476-K479 WeakPolarHBondContact O-CB 3.31Å; H476-K479 PolarHBondContact O-N 3.36Å; H476-E480 IonicContact CE1-OE1 3.05Å; H476-E480 PolarHBondContact CE1-OE1 3.47Å; H476-E480 VanDerWaalsContact CE1-OE1 3.22Å; H476-E480 IonicContact ND1-OE1 3.1Å; H476-E480 PolarHBondContact ND1-OE1 3.13Å; H476-E480 VanDerWaalsContact ND1-OE1 3.12Å; H476-E480 WeakPolarHBondContact O-CB 3.47Å; H476-E480 PolarHBondContact O-N 3.47Å |
| 477 | L | 92.8 | Very high | 92.4 | Very high | 102 Ų | 102 | 94.2 Ų | 94.2 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 174.4 | -70.5 | 169.8 | 0 | 0 | 0 | 111.2 | E473 R474 K479 E480 E481 | E473-L477 WeakPolarHBondContact O-CG 3.38Å; E473-L477 PolarHBondContact O-N 2.91Å; R474-L477 PolarHBondContact O-N 2.92Å; L477-K479 VanDerWaalsContact C-N 3.33Å; L477-K479 PolarHBondContact O-N 3.15Å; L477-E480 WeakPolarHBondContact O-CB 2.79Å; L477-E480 PolarHBondContact O-N 3.49Å; L477-E480 VanDerWaalsContact O-N 3.11Å; L477-E481 WeakPolarHBondContact O-CG 3.31Å; L477-E481 PolarHBondContact O-N 3.19Å |
| 478 | L | 93.6 | Very high | 92.3 | Very high | 85 Ų | 85 | 95.4 Ų | 95.4 | 45% | 0.445 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 175.4 | -71.5 | 168.9 | 0 | 0 | 0 | 112.5 | R474 T482 | R474-L478 HydrophobicContact CG-CD1 4.24Å; R474-L478 WeakPolarHBondContact O-CG 3.33Å; R474-L478 PolarHBondContact O-N 3.27Å; L478-T482 WeakPolarHBondContact O-CB 3.43Å; L478-T482 WeakPolarHBondContact O-CG2 3.41Å; L478-T482 PolarHBondContact O-N 3.32Å; L478-T482 PolarHBondContact O-OG1 3.39Å |
| 479 | K | 92.6 | Very high | 92.1 | Very high | 135 Ų | 135 | 93 Ų | 93 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | 172.7 | 177.8 | -162.6 | 168.2 | -161.6 | 0 | 111.4 | A475 H476 L477 T482 A483 | A475-K479 VanDerWaalsContact O-CB 3.23Å; A475-K479 WeakPolarHBondContact O-CB 3.44Å; A475-K479 PolarHBondContact O-N 3.23Å; H476-K479 WeakPolarHBondContact O-CB 3.31Å; H476-K479 PolarHBondContact O-N 3.36Å; L477-K479 VanDerWaalsContact C-N 3.33Å; L477-K479 PolarHBondContact O-N 3.15Å; K479-T482 WeakPolarHBondContact CA-OG1 3.3Å; K479-T482 PolarHBondContact O-OG1 3.03Å; K479-A483 WeakPolarHBondContact O-CB 3.36Å; K479-A483 PolarHBondContact O-N 3.49Å |
| 480 | E | 93.5 | Very high | 91.9 | Very high | 71 Ų | 71 | 96 Ų | 96 | 33% | 0.332 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 176.2 | -87.6 | -170.6 | -134.6 | 0 | 0 | 112.5 | H476 L477 A483 K484 | H476-E480 IonicContact CE1-OE1 3.05Å; H476-E480 PolarHBondContact CE1-OE1 3.47Å; H476-E480 VanDerWaalsContact CE1-OE1 3.22Å; H476-E480 IonicContact ND1-OE1 3.1Å; H476-E480 PolarHBondContact ND1-OE1 3.13Å; H476-E480 VanDerWaalsContact ND1-OE1 3.12Å; H476-E480 WeakPolarHBondContact O-CB 3.47Å; H476-E480 PolarHBondContact O-N 3.47Å; L477-E480 WeakPolarHBondContact O-CB 2.79Å; L477-E480 PolarHBondContact O-N 3.49Å; L477-E480 VanDerWaalsContact O-N 3.11Å; E480-A483 PolarHBondContact O-N 2.96Å; E480-K484 WeakPolarHBondContact O-CB 3.45Å; E480-K484 VanDerWaalsContact O-CD 3.28Å; E480-K484 WeakPolarHBondContact O-CD 3.36Å; E480-K484 WeakPolarHBondContact O-CG 3.26Å; E480-K484 PolarHBondContact O-N 2.78Å; E480-K484 IonicContact OE2-NZ 2.65Å; E480-K484 PolarHBondContact OE2-NZ 3.49Å |
| 481 | E | 92.4 | Very high | 91.8 | Very high | 118 Ų | 118 | 94.2 Ų | 94.2 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -46.9 | 177.3 | -72.9 | 172.7 | 168.2 | 0 | 0 | 111.2 | L477 A483 K484 A485 | L477-E481 WeakPolarHBondContact O-CG 3.31Å; L477-E481 PolarHBondContact O-N 3.19Å; E481-A483 PolarHBondContact O-N 2.71Å; E481-K484 PolarHBondContact O-N 3.41Å; E481-A485 WeakPolarHBondContact O-CB 3.37Å; E481-A485 PolarHBondContact O-N 2.81Å |
| 482 | T | 89.5 | Confident | 91.7 | Very high | 92 Ų | 92 | 94.9 Ų | 94.9 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.6 | -34.3 | 175.8 | 51 | 0 | 0 | 0 | 0 | 112.7 | L478 K479 L486 | L478-T482 WeakPolarHBondContact O-CB 3.43Å; L478-T482 WeakPolarHBondContact O-CG2 3.41Å; L478-T482 PolarHBondContact O-N 3.32Å; L478-T482 PolarHBondContact O-OG1 3.39Å; K479-T482 WeakPolarHBondContact CA-OG1 3.3Å; K479-T482 PolarHBondContact O-OG1 3.03Å; T482-L486 VanDerWaalsContact O-CB 3.28Å; T482-L486 WeakPolarHBondContact O-CB 3.32Å; T482-L486 PolarHBondContact O-N 3.01Å |
| 483 | A | 92.2 | Very high | 91.6 | Very high | 54 Ų | 54 | 96.1 Ų | 96.1 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K479 E480 E481 L486 A487 | K479-A483 WeakPolarHBondContact O-CB 3.36Å; K479-A483 PolarHBondContact O-N 3.49Å; E480-A483 PolarHBondContact O-N 2.96Å; E481-A483 PolarHBondContact O-N 2.71Å; A483-L486 PolarHBondContact O-N 3.01Å; A483-A487 WeakPolarHBondContact O-CB 3.36Å; A483-A487 PolarHBondContact O-N 3.34Å |
| 484 | K | 93.9 | Very high | 91.5 | Very high | 113 Ų | 113 | 95.5 Ų | 95.5 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 174.3 | -71.5 | 158.4 | -165.6 | 166.6 | 0 | 110.8 | E480 E481 A487 Q488 | E480-K484 WeakPolarHBondContact O-CB 3.45Å; E480-K484 VanDerWaalsContact O-CD 3.28Å; E480-K484 WeakPolarHBondContact O-CD 3.36Å; E480-K484 WeakPolarHBondContact O-CG 3.26Å; E480-K484 PolarHBondContact O-N 2.78Å; E480-K484 IonicContact OE2-NZ 2.65Å; E480-K484 PolarHBondContact OE2-NZ 3.49Å; E481-K484 PolarHBondContact O-N 3.41Å; K484-A487 PolarHBondContact O-N 3.31Å; K484-Q488 WeakPolarHBondContact O-CG 3.05Å; K484-Q488 PolarHBondContact O-N 3.3Å |
| 485 | A | 91.1 | Very high | 91.4 | Very high | 45 Ų | 45 | 94.2 Ų | 94.2 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E481 A487 Q488 C489 | E481-A485 WeakPolarHBondContact O-CB 3.37Å; E481-A485 PolarHBondContact O-N 2.81Å; A485-A487 VanDerWaalsContact C-N 3.34Å; A485-A487 PolarHBondContact O-N 3.45Å; A485-Q488 WeakPolarHBondContact O-CB 3.46Å; A485-Q488 PolarHBondContact O-N 2.93Å; A485-C489 PolarHBondContact O-N 3.31Å; A485-C489 PolarHBondContact O-SG 2.67Å; A485-C489 VanDerWaalsContact O-SG 3.35Å |
| 486 | L | 90.3 | Very high | 91.2 | Very high | 102 Ų | 102 | 96.9 Ų | 96.9 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.9 | 179.2 | 62.2 | 0 | 0 | 0 | 111.9 | T482 A483 C489 Q490 | T482-L486 VanDerWaalsContact O-CB 3.28Å; T482-L486 WeakPolarHBondContact O-CB 3.32Å; T482-L486 PolarHBondContact O-N 3.01Å; A483-L486 PolarHBondContact O-N 3.01Å; L486-C489 PolarHBondContact O-N 2.59Å; L486-Q490 WeakPolarHBondContact O-CB 3.31Å; L486-Q490 VanDerWaalsContact O-CG 3.31Å; L486-Q490 WeakPolarHBondContact O-CG 3.25Å; L486-Q490 PolarHBondContact O-N 2.82Å |
| 487 | A | 91.5 | Very high | 91.1 | Very high | 47 Ų | 47 | 98 Ų | 98 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A483 K484 A485 Q490 V491 | A483-A487 WeakPolarHBondContact O-CB 3.36Å; A483-A487 PolarHBondContact O-N 3.34Å; K484-A487 PolarHBondContact O-N 3.31Å; A485-A487 VanDerWaalsContact C-N 3.34Å; A485-A487 PolarHBondContact O-N 3.45Å; A487-Q490 PolarHBondContact O-N 3.06Å; A487-V491 WeakPolarHBondContact O-CG2 3.25Å; A487-V491 PolarHBondContact O-N 2.7Å |
| 488 | Q | 91.3 | Very high | 90.9 | Very high | 132 Ų | 132 | 98.2 Ų | 98.2 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -49.3 | 172.3 | -72.7 | 170.8 | -4.6 | 0 | 0 | 111.1 | K484 A485 Q490 V491 E492 | K484-Q488 WeakPolarHBondContact O-CG 3.05Å; K484-Q488 PolarHBondContact O-N 3.3Å; A485-Q488 WeakPolarHBondContact O-CB 3.46Å; A485-Q488 PolarHBondContact O-N 2.93Å; Q488-Q490 VanDerWaalsContact C-N 3.29Å; Q488-Q490 PolarHBondContact O-N 3.47Å; Q488-V491 PolarHBondContact O-N 2.96Å; Q488-E492 WeakPolarHBondContact O-CG 3.23Å; Q488-E492 PolarHBondContact O-N 2.82Å |
| 489 | C | 88.2 | Confident | 90.8 | Very high | 69 Ų | 69 | 100 Ų | 100 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -36 | 175.8 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | A485 L486 E492 C493 | A485-C489 PolarHBondContact O-N 3.31Å; A485-C489 PolarHBondContact O-SG 2.67Å; A485-C489 VanDerWaalsContact O-SG 3.35Å; L486-C489 PolarHBondContact O-N 2.59Å; C489-E492 PolarHBondContact O-N 3.26Å; C489-C493 WeakPolarHBondContact O-CB 3.45Å; C489-C493 PolarHBondContact O-N 2.94Å; C489-C493 PolarHBondContact O-SG 2.88Å |
| 490 | Q | 90.8 | Very high | 90.4 | Very high | 110 Ų | 110 | 98.8 Ų | 98.8 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 174.4 | -77 | 171.9 | -14.1 | 0 | 0 | 111.9 | L486 A487 Q488 E492 C493 E494 | L486-Q490 WeakPolarHBondContact O-CB 3.31Å; L486-Q490 VanDerWaalsContact O-CG 3.31Å; L486-Q490 WeakPolarHBondContact O-CG 3.25Å; L486-Q490 PolarHBondContact O-N 2.82Å; A487-Q490 PolarHBondContact O-N 3.06Å; Q488-Q490 VanDerWaalsContact C-N 3.29Å; Q488-Q490 PolarHBondContact O-N 3.47Å; Q490-E492 VanDerWaalsContact C-N 3.31Å; Q490-E492 PolarHBondContact O-N 3.47Å; Q490-C493 PolarHBondContact O-N 3.49Å; Q490-E494 PolarHBondContact O-N 2.94Å |
| 491 | V | 92.1 | Very high | 90.2 | Very high | 94 Ų | 94 | 99.7 Ų | 99.7 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -35.7 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | A487 Q488 K495 | A487-V491 WeakPolarHBondContact O-CG2 3.25Å; A487-V491 PolarHBondContact O-N 2.7Å; Q488-V491 PolarHBondContact O-N 2.96Å; V491-K495 VanDerWaalsContact O-CB 3.29Å; V491-K495 WeakPolarHBondContact O-CB 3.41Å; V491-K495 PolarHBondContact O-N 3.07Å |
| 492 | E | 88.7 | Confident | 90.1 | Very high | 128 Ų | 128 | 99.1 Ų | 99.1 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.8 | -43.9 | 172.8 | -71.3 | -169.1 | 159.6 | 0 | 0 | 112.4 | Q488 C489 Q490 K495 Q496 | Q488-E492 WeakPolarHBondContact O-CG 3.23Å; Q488-E492 PolarHBondContact O-N 2.82Å; C489-E492 PolarHBondContact O-N 3.26Å; Q490-E492 VanDerWaalsContact C-N 3.31Å; Q490-E492 PolarHBondContact O-N 3.47Å; E492-K495 WeakPolarHBondContact O-CB 3.39Å; E492-K495 PolarHBondContact O-N 2.9Å; E492-K495 VanDerWaalsContact O-N 3.16Å; E492-Q496 WeakPolarHBondContact O-CG 3.49Å; E492-Q496 PolarHBondContact O-N 3.38Å |
| 493 | C | 87.3 | Confident | 89.8 | Confident | 86 Ų | 86 | 99 Ų | 99 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.7 | -47.3 | 173.2 | -76.7 | 0 | 0 | 0 | 0 | 111.6 | C489 Q490 K495 Q496 Q497 | C489-C493 WeakPolarHBondContact O-CB 3.45Å; C489-C493 PolarHBondContact O-N 2.94Å; C489-C493 PolarHBondContact O-SG 2.88Å; Q490-C493 PolarHBondContact O-N 3.49Å; C493-K495 VanDerWaalsContact C-N 3.29Å; C493-K495 PolarHBondContact O-N 3.39Å; C493-Q496 PolarHBondContact O-N 3.39Å; C493-Q497 VanDerWaalsContact O-CB 3.31Å; C493-Q497 WeakPolarHBondContact O-CB 3.41Å; C493-Q497 PolarHBondContact O-N 3.16Å |
| 494 | E | 91.8 | Very high | 89.5 | Confident | 97 Ų | 97 | 99.5 Ų | 99.5 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.8 | -42.5 | 173.3 | -82.3 | -167.7 | -145 | 0 | 0 | 112.3 | Q490 Q497 K498 | Q490-E494 PolarHBondContact O-N 2.94Å; E494-Q497 PolarHBondContact O-N 3.47Å; E494-K498 WeakPolarHBondContact O-CB 3.27Å; E494-K498 WeakPolarHBondContact O-CD 3.09Å; E494-K498 VanDerWaalsContact O-CG 3.26Å; E494-K498 WeakPolarHBondContact O-CG 3.38Å; E494-K498 PolarHBondContact O-N 2.95Å; E494-K498 IonicContact OE2-NZ 3.86Å; E494-K498 PolarHBondContact OE2-NZ 2.96Å |
| 495 | K | 91.6 | Very high | 89.2 | Confident | 150 Ų | 150 | 98.6 Ų | 98.6 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -41 | 179.9 | -178.5 | -178.2 | 178.1 | -176.3 | 0 | 111.7 | V491 E492 C493 K499 | V491-K495 VanDerWaalsContact O-CB 3.29Å; V491-K495 WeakPolarHBondContact O-CB 3.41Å; V491-K495 PolarHBondContact O-N 3.07Å; E492-K495 WeakPolarHBondContact O-CB 3.39Å; E492-K495 PolarHBondContact O-N 2.9Å; E492-K495 VanDerWaalsContact O-N 3.16Å; C493-K495 VanDerWaalsContact C-N 3.29Å; C493-K495 PolarHBondContact O-N 3.39Å; K495-K499 WeakPolarHBondContact O-CB 3.36Å; K495-K499 PolarHBondContact O-N 3.03Å |
| 496 | Q | 87.4 | Confident | 89 | Confident | 112 Ų | 112 | 102.1 Ų | 102.1 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.7 | -36.2 | 174.5 | -61.1 | -65.4 | 8.2 | 0 | 0 | 111.6 | E492 C493 K499 L500 | E492-Q496 WeakPolarHBondContact O-CG 3.49Å; E492-Q496 PolarHBondContact O-N 3.38Å; C493-Q496 PolarHBondContact O-N 3.39Å; Q496-K499 WeakPolarHBondContact O-CB 3.45Å; Q496-K499 PolarHBondContact O-N 3.35Å; Q496-L500 PolarHBondContact O-N 2.61Å |
| 497 | Q | 89.9 | Confident | 88.7 | Confident | 115 Ų | 115 | 103.3 Ų | 103.3 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 175.7 | -175 | 177.6 | -28.4 | 0 | 0 | 111.4 | C493 E494 K499 L500 E501 | C493-Q497 VanDerWaalsContact O-CB 3.31Å; C493-Q497 WeakPolarHBondContact O-CB 3.41Å; C493-Q497 PolarHBondContact O-N 3.16Å; E494-Q497 PolarHBondContact O-N 3.47Å; Q497-K499 PolarHBondContact O-N 3.14Å; Q497-L500 CarbonylContact O-C 3.42Å; Q497-L500 WeakPolarHBondContact O-CA 3.23Å; Q497-L500 WeakPolarHBondContact O-CB 3.31Å; Q497-L500 PolarHBondContact O-N 2.88Å; Q497-E501 WeakPolarHBondContact CG-OE1 3.44Å; Q497-E501 PolarHBondContact NE2-OE1 3.48Å; Q497-E501 WeakPolarHBondContact O-CG 3.25Å; Q497-E501 PolarHBondContact O-N 3.45Å |
| 498 | K | 90.3 | Very high | 88.6 | Confident | 108 Ų | 108 | 107.7 Ų | 107.7 | 47% | 0.47 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.6 | -34.5 | 173.5 | -71.4 | 160.7 | -175.5 | 164.5 | 0 | 112 | E494 L502 | E494-K498 WeakPolarHBondContact O-CB 3.27Å; E494-K498 WeakPolarHBondContact O-CD 3.09Å; E494-K498 VanDerWaalsContact O-CG 3.26Å; E494-K498 WeakPolarHBondContact O-CG 3.38Å; E494-K498 PolarHBondContact O-N 2.95Å; E494-K498 IonicContact OE2-NZ 3.86Å; E494-K498 PolarHBondContact OE2-NZ 2.96Å; K498-L502 WeakPolarHBondContact O-CG 3.49Å; K498-L502 PolarHBondContact O-N 3.03Å; K498-L502 VanDerWaalsContact O-N 3.08Å |
| 499 | K | 89.9 | Confident | 88.5 | Confident | 121 Ų | 121 | 109.5 Ų | 109.5 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 172.9 | -171.5 | -177.4 | 177.3 | -172 | 0 | 112.3 | K495 Q496 Q497 L502 L503 | K495-K499 WeakPolarHBondContact O-CB 3.36Å; K495-K499 PolarHBondContact O-N 3.03Å; Q496-K499 WeakPolarHBondContact O-CB 3.45Å; Q496-K499 PolarHBondContact O-N 3.35Å; Q497-K499 PolarHBondContact O-N 3.14Å; K499-L502 PolarHBondContact O-N 2.91Å; K499-L503 HydrophobicContact CG-CD1 4.11Å; K499-L503 WeakPolarHBondContact O-CB 3.46Å; K499-L503 VanDerWaalsContact O-CG 3.31Å; K499-L503 WeakPolarHBondContact O-CG 3.27Å; K499-L503 PolarHBondContact O-N 3.38Å |
| 500 | L | 84.3 | Confident | 88.4 | Confident | 110 Ų | 110 | 112.1 Ų | 112.1 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -41.2 | 173.3 | -83 | 165.6 | 0 | 0 | 0 | 111.7 | Q496 Q497 L503 T504 | Q496-L500 PolarHBondContact O-N 2.61Å; Q497-L500 CarbonylContact O-C 3.42Å; Q497-L500 WeakPolarHBondContact O-CA 3.23Å; Q497-L500 WeakPolarHBondContact O-CB 3.31Å; Q497-L500 PolarHBondContact O-N 2.88Å; L500-L503 PolarHBondContact O-N 2.82Å; L500-T504 WeakPolarHBondContact O-CB 3.48Å; L500-T504 PolarHBondContact O-N 3.46Å; L500-T504 PolarHBondContact O-OG1 3.45Å |
| 501 | E | 89.9 | Confident | 88.2 | Confident | 90 Ų | 90 | 110 Ų | 110 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 175.1 | -73 | 165.5 | -169.2 | 0 | 0 | 111.4 | Q497 T504 Q505 | Q497-E501 WeakPolarHBondContact CG-OE1 3.44Å; Q497-E501 PolarHBondContact NE2-OE1 3.48Å; Q497-E501 WeakPolarHBondContact O-CG 3.25Å; Q497-E501 PolarHBondContact O-N 3.45Å; E501-T504 PolarHBondContact O-N 3.35Å; E501-Q505 WeakPolarHBondContact O-CG 3.43Å; E501-Q505 PolarHBondContact O-N 2.87Å |
| 502 | L | 90.4 | Very high | 87.8 | Confident | 107 Ų | 107 | 108.6 Ų | 108.6 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -48 | 175.1 | -72.5 | 171.2 | 0 | 0 | 0 | 112.3 | K498 K499 T504 Q505 E506 | K498-L502 WeakPolarHBondContact O-CG 3.49Å; K498-L502 PolarHBondContact O-N 3.03Å; K498-L502 VanDerWaalsContact O-N 3.08Å; K499-L502 PolarHBondContact O-N 2.91Å; L502-T504 PolarHBondContact O-N 3.41Å; L502-Q505 PolarHBondContact O-N 3.37Å; L502-Q505 VanDerWaalsContact O-N 3.17Å; L502-E506 PolarHBondContact O-N 2.86Å |
| 503 | L | 82.4 | Confident | 87.8 | Confident | 90 Ų | 90 | 105.6 Ų | 105.6 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -33.5 | 176.4 | -73.9 | 166.9 | 0 | 0 | 0 | 112.2 | K499 L500 F507 | K499-L503 HydrophobicContact CG-CD1 4.11Å; K499-L503 WeakPolarHBondContact O-CB 3.46Å; K499-L503 VanDerWaalsContact O-CG 3.31Å; K499-L503 WeakPolarHBondContact O-CG 3.27Å; K499-L503 PolarHBondContact O-N 3.38Å; L500-L503 PolarHBondContact O-N 2.82Å; L503-F507 VanDerWaalsContact O-CB 3.23Å; L503-F507 WeakPolarHBondContact O-CB 3.2Å; L503-F507 PolarHBondContact O-N 2.94Å |
| 504 | T | 85.7 | Confident | 87.3 | Confident | 63 Ų | 63 | 104.5 Ų | 104.5 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.3 | -40.5 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | L500 E501 L502 F507 Y508 | L500-T504 WeakPolarHBondContact O-CB 3.48Å; L500-T504 PolarHBondContact O-N 3.46Å; L500-T504 PolarHBondContact O-OG1 3.45Å; E501-T504 PolarHBondContact O-N 3.35Å; L502-T504 PolarHBondContact O-N 3.41Å; T504-F507 PolarHBondContact O-N 3.42Å; T504-Y508 HydrophobicContact CG2-CD2 3.71Å; T504-Y508 HydrophobicContact CG2-CE2 3.45Å; T504-Y508 VanDerWaalsContact CG2-CE2 3.45Å; T504-Y508 WeakPolarHBondContact O-CD2 3.35Å; T504-Y508 PolarHBondContact O-N 3.45Å |
| 505 | Q | 89 | Confident | 87 | Confident | 94 Ų | 94 | 104.4 Ų | 104.4 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 172.9 | -72.4 | 176.3 | 42.3 | 0 | 0 | 112.2 | E501 L502 R509 | E501-Q505 WeakPolarHBondContact O-CG 3.43Å; E501-Q505 PolarHBondContact O-N 2.87Å; L502-Q505 PolarHBondContact O-N 3.37Å; L502-Q505 VanDerWaalsContact O-N 3.17Å; Q505-R509 WeakPolarHBondContact O-CB 3.46Å; Q505-R509 WeakPolarHBondContact O-CG 3.22Å; Q505-R509 PolarHBondContact O-N 3.41Å |
| 506 | E | 85.9 | Confident | 86.8 | Confident | 120 Ų | 120 | 103.5 Ų | 103.5 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.4 | -43.4 | 174.5 | -72.2 | -172.9 | 158.8 | 0 | 0 | 111.6 | L502 R509 L510 | L502-E506 PolarHBondContact O-N 2.86Å; E506-R509 PolarHBondContact O-N 3.01Å; E506-L510 WeakPolarHBondContact O-CB 3.5Å; E506-L510 PolarHBondContact O-N 3.03Å |
| 507 | F | 85.1 | Confident | 86.6 | Confident | 126 Ų | 126 | 106.5 Ų | 106.5 | 55% | 0.553 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.9 | -50.7 | 174.6 | 178.5 | -93.9 | 0 | 0 | 0 | 111.7 | L503 T504 R509 L510 Q511 | L503-F507 VanDerWaalsContact O-CB 3.23Å; L503-F507 WeakPolarHBondContact O-CB 3.2Å; L503-F507 PolarHBondContact O-N 2.94Å; T504-F507 PolarHBondContact O-N 3.42Å; F507-R509 PolarHBondContact O-N 2.96Å; F507-L510 PolarHBondContact O-N 3.05Å; F507-Q511 VanDerWaalsContact O-CB 3.31Å; F507-Q511 WeakPolarHBondContact O-CB 3.26Å; F507-Q511 PolarHBondContact O-N 2.73Å |
| 508 | Y | 89.6 | Confident | 86.3 | Confident | 140 Ų | 140 | 104.6 Ų | 104.6 | 55% | 0.549 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 177.8 | -76.7 | -54.2 | 0 | 0 | 0 | 112.7 | T504 L510 Q511 T512 | T504-Y508 HydrophobicContact CG2-CD2 3.71Å; T504-Y508 HydrophobicContact CG2-CE2 3.45Å; T504-Y508 VanDerWaalsContact CG2-CE2 3.45Å; T504-Y508 WeakPolarHBondContact O-CD2 3.35Å; T504-Y508 PolarHBondContact O-N 3.45Å; Y508-L510 VanDerWaalsContact C-N 3.35Å; Y508-L510 PolarHBondContact O-N 2.82Å; Y508-Q511 PolarHBondContact O-N 3.1Å; Y508-T512 WeakPolarHBondContact O-CB 3.38Å; Y508-T512 PolarHBondContact O-N 3.06Å; Y508-T512 PolarHBondContact O-OG1 3.27Å; Y508-T512 VanDerWaalsContact O-OG1 3.12Å |
| 509 | R | 87.8 | Confident | 85.9 | Confident | 170 Ų | 170 | 102 Ų | 102 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -44.6 | 173.1 | -75.5 | 170.1 | -176.1 | 172.5 | 5.5 | 111.6 | Q505 E506 F507 S513 | Q505-R509 WeakPolarHBondContact O-CB 3.46Å; Q505-R509 WeakPolarHBondContact O-CG 3.22Å; Q505-R509 PolarHBondContact O-N 3.41Å; E506-R509 PolarHBondContact O-N 3.01Å; F507-R509 PolarHBondContact O-N 2.96Å; R509-S513 WeakPolarHBondContact O-CB 3.24Å; R509-S513 PolarHBondContact O-N 3.11Å; R509-S513 PolarHBondContact O-OG 2.9Å |
| 510 | L | 86 | Confident | 85.6 | Confident | 124 Ų | 124 | 101.6 Ų | 101.6 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.9 | -47.6 | 178.7 | -160.1 | 78.9 | 0 | 0 | 0 | 110.5 | E506 F507 Y508 S513 S514 | E506-L510 WeakPolarHBondContact O-CB 3.5Å; E506-L510 PolarHBondContact O-N 3.03Å; F507-L510 PolarHBondContact O-N 3.05Å; Y508-L510 VanDerWaalsContact C-N 3.35Å; Y508-L510 PolarHBondContact O-N 2.82Å; L510-S513 PolarHBondContact O-N 3.31Å; L510-S513 PolarHBondContact O-OG 3.43Å; L510-S514 PolarHBondContact O-N 3.32Å; L510-S514 PolarHBondContact O-OG 3.46Å |
| 511 | Q | 86.8 | Confident | 85.4 | Confident | 65 Ų | 65 | 101 Ų | 101 | 30% | 0.304 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -53.8 | -58.4 | 175.2 | 178.6 | 177.7 | -6.3 | 0 | 0 | 110.6 | F507 Y508 S513 S514 E515 | F507-Q511 VanDerWaalsContact O-CB 3.31Å; F507-Q511 WeakPolarHBondContact O-CB 3.26Å; F507-Q511 PolarHBondContact O-N 2.73Å; Y508-Q511 PolarHBondContact O-N 3.1Å; Q511-S513 VanDerWaalsContact C-N 3.25Å; Q511-S513 PolarHBondContact O-N 3.01Å; Q511-S514 CarbonylContact O-C 3.57Å; Q511-S514 WeakPolarHBondContact O-CA 3.36Å; Q511-S514 PolarHBondContact O-N 2.83Å; Q511-S514 PolarHBondContact O-OG 3.13Å; Q511-E515 HydrophobicContact CG-CG 4.23Å; Q511-E515 VanDerWaalsContact CG-OE1 3.27Å; Q511-E515 WeakPolarHBondContact CG-OE1 3.49Å; Q511-E515 PolarHBondContact NE2-OE1 3.41Å; Q511-E515 WeakPolarHBondContact O-CG 3.4Å; Q511-E515 PolarHBondContact O-N 3.32Å |
| 512 | T | 84.6 | Confident | 85 | Confident | 65 Ų | 65 | 102.9 Ų | 102.9 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.8 | -33 | 179.1 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | Y508 K516 | Y508-T512 WeakPolarHBondContact O-CB 3.38Å; Y508-T512 PolarHBondContact O-N 3.06Å; Y508-T512 PolarHBondContact O-OG1 3.27Å; Y508-T512 VanDerWaalsContact O-OG1 3.12Å; T512-K516 HydrophobicContact CG2-CD 4.49Å; T512-K516 WeakPolarHBondContact O-CB 3.38Å; T512-K516 VanDerWaalsContact O-CG 3.28Å; T512-K516 WeakPolarHBondContact O-CG 3.49Å; T512-K516 PolarHBondContact O-N 2.94Å; T512-K516 VanDerWaalsContact O-N 3.14Å |
| 513 | S | 87.2 | Confident | 84.5 | Confident | 65 Ų | 65 | 100.7 Ų | 100.7 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.4 | -36 | 173.8 | 79.1 | 0 | 0 | 0 | 0 | 112.8 | R509 L510 Q511 R517 | R509-S513 WeakPolarHBondContact O-CB 3.24Å; R509-S513 PolarHBondContact O-N 3.11Å; R509-S513 PolarHBondContact O-OG 2.9Å; L510-S513 PolarHBondContact O-N 3.31Å; L510-S513 PolarHBondContact O-OG 3.43Å; Q511-S513 VanDerWaalsContact C-N 3.25Å; Q511-S513 PolarHBondContact O-N 3.01Å; S513-R517 PolarHBondContact O-N 3.24Å |
| 514 | S | 78.3 | Confident | 84.3 | Confident | 62 Ų | 62 | 101.8 Ų | 101.8 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.5 | -41.8 | 177 | 73.6 | 0 | 0 | 0 | 0 | 112.1 | L510 Q511 K516 R517 V518 | L510-S514 PolarHBondContact O-N 3.32Å; L510-S514 PolarHBondContact O-OG 3.46Å; Q511-S514 CarbonylContact O-C 3.57Å; Q511-S514 WeakPolarHBondContact O-CA 3.36Å; Q511-S514 PolarHBondContact O-N 2.83Å; Q511-S514 PolarHBondContact O-OG 3.13Å; S514-K516 PolarHBondContact O-N 2.7Å; S514-R517 PolarHBondContact O-N 3.01Å; S514-V518 WeakPolarHBondContact O-CB 3.48Å; S514-V518 WeakPolarHBondContact O-CG2 3.28Å; S514-V518 PolarHBondContact O-N 2.87Å |
| 515 | E | 85.9 | Confident | 84 | Confident | 95 Ų | 95 | 104.5 Ų | 104.5 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 176.9 | -71.6 | 167.7 | 161.8 | 0 | 0 | 111.3 | Q511 V518 A519 | Q511-E515 HydrophobicContact CG-CG 4.23Å; Q511-E515 VanDerWaalsContact CG-OE1 3.27Å; Q511-E515 WeakPolarHBondContact CG-OE1 3.49Å; Q511-E515 PolarHBondContact NE2-OE1 3.41Å; Q511-E515 WeakPolarHBondContact O-CG 3.4Å; Q511-E515 PolarHBondContact O-N 3.32Å; E515-V518 PolarHBondContact O-N 3.04Å; E515-A519 WeakPolarHBondContact O-CB 3.44Å; E515-A519 PolarHBondContact O-N 2.78Å |
| 516 | K | 85.8 | Confident | 83.6 | Confident | 132 Ų | 132 | 102.9 Ų | 102.9 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.6 | -48.7 | 171.1 | -77.7 | 176.6 | 178 | -175.1 | 0 | 111.8 | T512 S514 V518 A519 E520 | T512-K516 HydrophobicContact CG2-CD 4.49Å; T512-K516 WeakPolarHBondContact O-CB 3.38Å; T512-K516 VanDerWaalsContact O-CG 3.28Å; T512-K516 WeakPolarHBondContact O-CG 3.49Å; T512-K516 PolarHBondContact O-N 2.94Å; T512-K516 VanDerWaalsContact O-N 3.14Å; S514-K516 PolarHBondContact O-N 2.7Å; K516-V518 VanDerWaalsContact C-N 3.33Å; K516-V518 PolarHBondContact O-N 2.68Å; K516-A519 PolarHBondContact O-N 2.86Å; K516-E520 WeakPolarHBondContact O-CB 3.49Å; K516-E520 VanDerWaalsContact O-CG 3.3Å; K516-E520 WeakPolarHBondContact O-CG 3.39Å; K516-E520 PolarHBondContact O-N 3.1Å |
| 517 | R | 84.9 | Confident | 83.5 | Confident | 175 Ų | 175 | 101.6 Ų | 101.6 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.1 | -31.4 | -178.7 | -163.5 | 168.3 | -173.9 | 147.3 | 2.4 | 112.9 | S513 S514 L521 | S513-R517 PolarHBondContact O-N 3.24Å; S514-R517 PolarHBondContact O-N 3.01Å; R517-L521 HydrophobicContact CG-CD1 4.45Å; R517-L521 WeakPolarHBondContact O-CB 3.43Å; R517-L521 WeakPolarHBondContact O-CD1 3.42Å; R517-L521 VanDerWaalsContact O-CG 3.25Å; R517-L521 WeakPolarHBondContact O-CG 3.34Å; R517-L521 PolarHBondContact O-N 3.26Å; R517-L521 VanDerWaalsContact O-N 3.08Å |
| 518 | V | 82.5 | Confident | 83.2 | Confident | 74 Ų | 74 | 100.6 Ų | 100.6 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 170.6 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | S514 E515 K516 L521 Q522 | S514-V518 WeakPolarHBondContact O-CB 3.48Å; S514-V518 WeakPolarHBondContact O-CG2 3.28Å; S514-V518 PolarHBondContact O-N 2.87Å; E515-V518 PolarHBondContact O-N 3.04Å; K516-V518 VanDerWaalsContact C-N 3.33Å; K516-V518 PolarHBondContact O-N 2.68Å; V518-L521 PolarHBondContact O-N 3.08Å; V518-Q522 HydrophobicContact CG1-CG 4.34Å; V518-Q522 WeakPolarHBondContact O-CB 3.44Å; V518-Q522 VanDerWaalsContact O-CG 3.27Å; V518-Q522 WeakPolarHBondContact O-CG 3.35Å; V518-Q522 PolarHBondContact O-N 3.33Å |
| 519 | A | 81.4 | Confident | 82.6 | Confident | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E515 K516 Q522 A523 | E515-A519 WeakPolarHBondContact O-CB 3.44Å; E515-A519 PolarHBondContact O-N 2.78Å; K516-A519 PolarHBondContact O-N 2.86Å; A519-Q522 PolarHBondContact O-N 3.32Å; A519-A523 WeakPolarHBondContact O-CB 3.28Å; A519-A523 PolarHBondContact O-N 3.22Å |
| 520 | E | 83.8 | Confident | 82.1 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 173.4 | -73.9 | 164.1 | -172 | 0 | 0 | 111.7 | K516 A523 Q524 | K516-E520 WeakPolarHBondContact O-CB 3.49Å; K516-E520 VanDerWaalsContact O-CG 3.3Å; K516-E520 WeakPolarHBondContact O-CG 3.39Å; K516-E520 PolarHBondContact O-N 3.1Å; E520-A523 PolarHBondContact O-N 3.48Å; E520-Q524 WeakPolarHBondContact O-CG 3.35Å; E520-Q524 PolarHBondContact O-N 3.25Å |
| 521 | L | 80.1 | Confident | 81.8 | Confident | 97 Ų | 97 | 90.5 Ų | 90.5 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 177.6 | -72.7 | 169.3 | 0 | 0 | 0 | 112.8 | R517 V518 Q524 N525 | R517-L521 HydrophobicContact CG-CD1 4.45Å; R517-L521 WeakPolarHBondContact O-CB 3.43Å; R517-L521 WeakPolarHBondContact O-CD1 3.42Å; R517-L521 VanDerWaalsContact O-CG 3.25Å; R517-L521 WeakPolarHBondContact O-CG 3.34Å; R517-L521 PolarHBondContact O-N 3.26Å; R517-L521 VanDerWaalsContact O-N 3.08Å; V518-L521 PolarHBondContact O-N 3.08Å; L521-Q524 PolarHBondContact O-N 2.88Å; L521-N525 WeakPolarHBondContact O-CB 3.47Å; L521-N525 PolarHBondContact O-N 3.47Å |
| 522 | Q | 81.3 | Confident | 81.2 | Confident | 130 Ų | 130 | 92.3 Ų | 92.3 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 174.2 | -77 | 174.3 | -11 | 0 | 0 | 111.6 | V518 A519 N525 A526 | V518-Q522 HydrophobicContact CG1-CG 4.34Å; V518-Q522 WeakPolarHBondContact O-CB 3.44Å; V518-Q522 VanDerWaalsContact O-CG 3.27Å; V518-Q522 WeakPolarHBondContact O-CG 3.35Å; V518-Q522 PolarHBondContact O-N 3.33Å; A519-Q522 PolarHBondContact O-N 3.32Å; Q522-N525 PolarHBondContact O-N 2.91Å; Q522-A526 PolarHBondContact O-N 3.4Å |
| 523 | A | 79.9 | Confident | 80.9 | Confident | 62 Ų | 62 | 94 Ų | 94 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A519 E520 N525 A526 E527 | A519-A523 WeakPolarHBondContact O-CB 3.28Å; A519-A523 PolarHBondContact O-N 3.22Å; E520-A523 PolarHBondContact O-N 3.48Å; A523-N525 PolarHBondContact O-N 2.85Å; A523-A526 PolarHBondContact O-N 2.98Å; A523-E527 PolarHBondContact O-N 3.46Å |
| 524 | Q | 79.6 | Confident | 80.3 | Confident | 112 Ų | 112 | 94.8 Ų | 94.8 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 175 | -72.7 | 174.1 | 12.5 | 0 | 0 | 112.2 | E520 L521 A526 E527 Q528 | E520-Q524 WeakPolarHBondContact O-CG 3.35Å; E520-Q524 PolarHBondContact O-N 3.25Å; L521-Q524 PolarHBondContact O-N 2.88Å; Q524-A526 PolarHBondContact O-N 2.95Å; Q524-E527 PolarHBondContact O-N 2.61Å; Q524-Q528 WeakPolarHBondContact O-CG 3.44Å; Q524-Q528 PolarHBondContact O-N 3.26Å |
| 525 | N | 78.2 | Confident | 80.1 | Confident | 120 Ų | 120 | 98.9 Ų | 98.9 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -39.2 | 175.4 | -99.5 | -12.7 | 0 | 0 | 0 | 112.5 | L521 Q522 A523 Q528 A529 | L521-N525 WeakPolarHBondContact O-CB 3.47Å; L521-N525 PolarHBondContact O-N 3.47Å; Q522-N525 PolarHBondContact O-N 2.91Å; A523-N525 PolarHBondContact O-N 2.85Å; N525-Q528 PolarHBondContact O-N 3.1Å; N525-A529 VanDerWaalsContact O-CB 3.28Å; N525-A529 WeakPolarHBondContact O-CB 3.39Å; N525-A529 PolarHBondContact O-N 3.12Å |
| 526 | A | 81.2 | Confident | 79.6 | Confident | 60 Ų | 60 | 99.5 Ų | 99.5 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q522 A523 Q524 S530 | Q522-A526 PolarHBondContact O-N 3.4Å; A523-A526 PolarHBondContact O-N 2.98Å; Q524-A526 PolarHBondContact O-N 2.95Å; A526-S530 WeakPolarHBondContact O-CB 3.48Å; A526-S530 PolarHBondContact O-N 3.35Å; A526-S530 PolarHBondContact O-OG 3.04Å |
| 527 | E | 82.8 | Confident | 79 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 174.4 | -164.1 | -169.5 | 141.4 | 0 | 0 | 111.9 | A523 Q524 S530 R531 | A523-E527 PolarHBondContact O-N 3.46Å; Q524-E527 PolarHBondContact O-N 2.61Å; E527-S530 PolarHBondContact O-OG 3.02Å; E527-S530 VanDerWaalsContact O-OG 3.1Å; E527-R531 WeakPolarHBondContact O-CG 3.32Å; E527-R531 PolarHBondContact O-N 2.99Å; E527-R531 IonicContact OE1-CZ 3.9Å; E527-R531 IonicContact OE1-NH1 2.61Å; E527-R531 PolarHBondContact OE1-NH1 3.19Å; E527-R531 IonicContact OE1-NH2 2.72Å; E527-R531 PolarHBondContact OE1-NH2 2.82Å |
| 528 | Q | 78.6 | Confident | 78.3 | Confident | 104 Ų | 104 | 94.4 Ų | 94.4 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.8 | -37.6 | 176.5 | -61.2 | -61.6 | -1.6 | 0 | 0 | 112.8 | Q524 N525 R531 L532 | Q524-Q528 WeakPolarHBondContact O-CG 3.44Å; Q524-Q528 PolarHBondContact O-N 3.26Å; N525-Q528 PolarHBondContact O-N 3.1Å; Q528-R531 PolarHBondContact O-N 3.14Å; Q528-L532 PolarHBondContact O-N 3.42Å |
| 529 | A | 76.9 | Confident | 77.6 | Confident | 57 Ų | 57 | 97 Ų | 97 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N525 R531 L532 E533 | N525-A529 VanDerWaalsContact O-CB 3.28Å; N525-A529 WeakPolarHBondContact O-CB 3.39Å; N525-A529 PolarHBondContact O-N 3.12Å; A529-R531 VanDerWaalsContact C-N 3.34Å; A529-R531 PolarHBondContact O-N 3.19Å; A529-L532 PolarHBondContact O-N 3.13Å; A529-E533 PolarHBondContact O-N 2.89Å |
| 530 | S | 79.1 | Confident | 77.1 | Confident | 60 Ų | 60 | 100.2 Ų | 100.2 | 42% | 0.42 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -32.7 | 175.9 | 51.7 | 0 | 0 | 0 | 0 | 113 | A526 E527 T534 | A526-S530 WeakPolarHBondContact O-CB 3.48Å; A526-S530 PolarHBondContact O-N 3.35Å; A526-S530 PolarHBondContact O-OG 3.04Å; E527-S530 PolarHBondContact O-OG 3.02Å; E527-S530 VanDerWaalsContact O-OG 3.1Å; S530-T534 PolarHBondContact O-N 3.38Å |
| 531 | R | 79.2 | Confident | 76.4 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 168.4 | -78.3 | -171.5 | -179.5 | 106.5 | 12.3 | 112.1 | E527 Q528 A529 E533 T534 Y535 | E527-R531 WeakPolarHBondContact O-CG 3.32Å; E527-R531 PolarHBondContact O-N 2.99Å; E527-R531 IonicContact OE1-CZ 3.9Å; E527-R531 IonicContact OE1-NH1 2.61Å; E527-R531 PolarHBondContact OE1-NH1 3.19Å; E527-R531 IonicContact OE1-NH2 2.72Å; E527-R531 PolarHBondContact OE1-NH2 2.82Å; Q528-R531 PolarHBondContact O-N 3.14Å; A529-R531 VanDerWaalsContact C-N 3.34Å; A529-R531 PolarHBondContact O-N 3.19Å; R531-E533 VanDerWaalsContact C-N 3.34Å; R531-E533 PolarHBondContact O-N 3.06Å; R531-T534 PolarHBondContact O-N 3.32Å; R531-T534 VanDerWaalsContact O-N 3.11Å; R531-T534 PolarHBondContact O-OG1 3.3Å; R531-Y535 HydrophobicContact CB-CE2 4.46Å; R531-Y535 WeakPolarHBondContact O-CD2 3.09Å; R531-Y535 PolarHBondContact O-N 2.92Å; R531-Y535 VanDerWaalsContact O-N 3.15Å |
| 532 | L | 74.6 | Confident | 75.7 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.1 | -46.7 | 178 | -76.6 | 163.8 | 0 | 0 | 0 | 111.6 | Q528 A529 T534 Y535 E536 | Q528-L532 PolarHBondContact O-N 3.42Å; A529-L532 PolarHBondContact O-N 3.13Å; L532-T534 PolarHBondContact O-N 3.37Å; L532-T534 VanDerWaalsContact O-N 3.17Å; L532-Y535 PolarHBondContact O-N 2.9Å; L532-E536 WeakPolarHBondContact O-CG 3.2Å; L532-E536 PolarHBondContact O-N 3.26Å |
| 533 | E | 78.1 | Confident | 75.1 | Confident | 101 Ų | 101 | 99.2 Ų | 99.2 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.1 | -31 | 177.3 | -160 | -163 | 152 | 0 | 0 | 113 | A529 R531 K537 | A529-E533 PolarHBondContact O-N 2.89Å; R531-E533 VanDerWaalsContact C-N 3.34Å; R531-E533 PolarHBondContact O-N 3.06Å; E533-K537 WeakPolarHBondContact O-CD 3.21Å; E533-K537 WeakPolarHBondContact O-CG 3.21Å; E533-K537 IonicContact OE1-NZ 3.43Å; E533-K537 PolarHBondContact OE1-NZ 3.01Å |
| 534 | T | 74.1 | Confident | 74.5 | Confident | 81 Ų | 81 | 101.5 Ų | 101.5 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -77.3 | -29.7 | 173.7 | 59.5 | 0 | 0 | 0 | 0 | 114 | S530 R531 L532 | S530-T534 PolarHBondContact O-N 3.38Å; R531-T534 PolarHBondContact O-N 3.32Å; R531-T534 VanDerWaalsContact O-N 3.11Å; R531-T534 PolarHBondContact O-OG1 3.3Å; L532-T534 PolarHBondContact O-N 3.37Å; L532-T534 VanDerWaalsContact O-N 3.17Å |
| 535 | Y | 74.6 | Confident | 73.8 | Confident | 147 Ų | 147 | 97.2 Ų | 97.2 | 58% | 0.576 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -74.9 | -43.8 | 174.7 | -73.1 | -63.1 | 0 | 0 | 0 | 111.9 | R531 L532 K537 L538 E539 | R531-Y535 HydrophobicContact CB-CE2 4.46Å; R531-Y535 WeakPolarHBondContact O-CD2 3.09Å; R531-Y535 PolarHBondContact O-N 2.92Å; R531-Y535 VanDerWaalsContact O-N 3.15Å; L532-Y535 PolarHBondContact O-N 2.9Å; Y535-K537 VanDerWaalsContact C-N 3.26Å; Y535-K537 PolarHBondContact O-N 3.13Å; Y535-L538 PolarHBondContact O-N 2.92Å; Y535-L538 VanDerWaalsContact O-N 3.1Å; Y535-E539 PolarHBondContact O-N 2.76Å |
| 536 | E | 75.7 | Confident | 73.1 | Confident | 108 Ų | 108 | 92.3 Ų | 92.3 | 51% | 0.505 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.4 | -37.2 | 179.2 | -70.9 | 174.8 | 172.6 | 0 | 0 | 112.6 | L532 Q540 | L532-E536 WeakPolarHBondContact O-CG 3.2Å; L532-E536 PolarHBondContact O-N 3.26Å; E536-Q540 WeakPolarHBondContact O-CG 3.31Å; E536-Q540 PolarHBondContact O-N 3.09Å; E536-Q540 VanDerWaalsContact O-N 3.13Å |
| 537 | K | 72.6 | Confident | 72.3 | Confident | 106 Ų | 106 | 95.4 Ų | 95.4 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 176.4 | -69.5 | 169 | -171 | 168.8 | 0 | 112.4 | E533 Y535 E539 Q540 E541 | E533-K537 WeakPolarHBondContact O-CD 3.21Å; E533-K537 WeakPolarHBondContact O-CG 3.21Å; E533-K537 IonicContact OE1-NZ 3.43Å; E533-K537 PolarHBondContact OE1-NZ 3.01Å; Y535-K537 VanDerWaalsContact C-N 3.26Å; Y535-K537 PolarHBondContact O-N 3.13Å; K537-E539 VanDerWaalsContact C-N 3.33Å; K537-E539 PolarHBondContact O-N 3.5Å; K537-Q540 PolarHBondContact O-N 2.87Å; K537-E541 WeakPolarHBondContact O-CG 3.49Å; K537-E541 PolarHBondContact O-N 3.38Å; K537-E541 VanDerWaalsContact O-N 3.1Å |
| 538 | L | 70.3 | Confident | 71.3 | Confident | 95 Ų | 95 | 95.3 Ų | 95.3 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.9 | -34.6 | 176 | -75.9 | 167.1 | 0 | 0 | 0 | 112.2 | Y535 L542 | Y535-L538 PolarHBondContact O-N 2.92Å; Y535-L538 VanDerWaalsContact O-N 3.1Å; L538-L542 WeakPolarHBondContact O-CD1 3.49Å; L538-L542 VanDerWaalsContact O-CG 3.27Å; L538-L542 WeakPolarHBondContact O-CG 3.26Å; L538-L542 PolarHBondContact O-N 3.44Å; L538-L542 VanDerWaalsContact O-N 3.15Å |
| 539 | E | 68.4 | Low | 70.3 | Confident | 127 Ų | 127 | 90.3 Ų | 90.3 | 59% | 0.593 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.1 | -42.7 | 173.9 | -68.7 | -172 | 151.4 | 0 | 0 | 111.6 | Y535 K537 E541 L542 D543 | Y535-E539 PolarHBondContact O-N 2.76Å; K537-E539 VanDerWaalsContact C-N 3.33Å; K537-E539 PolarHBondContact O-N 3.5Å; E539-E541 VanDerWaalsContact C-N 3.33Å; E539-E541 PolarHBondContact O-N 3.1Å; E539-L542 PolarHBondContact O-N 3.48Å; E539-D543 PolarHBondContact O-N 3.5Å |
| 540 | Q | 70 | Confident | 69.4 | Low | 121 Ų | 121 | 88.1 Ų | 88.1 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.2 | -34.9 | 176.1 | -72.1 | 172 | 33.7 | 0 | 0 | 113.9 | E536 K537 Q544 | E536-Q540 WeakPolarHBondContact O-CG 3.31Å; E536-Q540 PolarHBondContact O-N 3.09Å; E536-Q540 VanDerWaalsContact O-N 3.13Å; K537-Q540 PolarHBondContact O-N 2.87Å; Q540-Q544 WeakPolarHBondContact O-CG 3.44Å; Q540-Q544 PolarHBondContact O-NE2 3.48Å |
| 541 | E | 68.4 | Low | 68.4 | Low | 126 Ų | 126 | 92.2 Ų | 92.2 | 59% | 0.589 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.4 | -40.7 | 174.3 | -72.9 | 177.7 | -179.2 | 0 | 0 | 111.8 | K537 E539 V545 | K537-E541 WeakPolarHBondContact O-CG 3.49Å; K537-E541 PolarHBondContact O-N 3.38Å; K537-E541 VanDerWaalsContact O-N 3.1Å; E539-E541 VanDerWaalsContact C-N 3.33Å; E539-E541 PolarHBondContact O-N 3.1Å; E541-V545 PolarHBondContact O-N 2.87Å |
| 542 | L | 65.9 | Low | 67.5 | Low | 84 Ų | 84 | 89.6 Ų | 89.6 | 44% | 0.44 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 178.1 | -73.8 | 168.9 | 0 | 0 | 0 | 112.4 | L538 E539 Q544 V545 T546 | L538-L542 WeakPolarHBondContact O-CD1 3.49Å; L538-L542 VanDerWaalsContact O-CG 3.27Å; L538-L542 WeakPolarHBondContact O-CG 3.26Å; L538-L542 PolarHBondContact O-N 3.44Å; L538-L542 VanDerWaalsContact O-N 3.15Å; E539-L542 PolarHBondContact O-N 3.48Å; L542-Q544 VanDerWaalsContact C-N 3.32Å; L542-Q544 PolarHBondContact O-N 2.9Å; L542-V545 PolarHBondContact O-N 3.11Å; L542-T546 PolarHBondContact O-N 3.29Å; L542-T546 PolarHBondContact O-OG1 2.89Å |
| 543 | D | 69.4 | Low | 66.7 | Low | 109 Ų | 109 | 91.6 Ų | 91.6 | 58% | 0.583 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.5 | -41.4 | -178.8 | -85.9 | -14 | 0 | 0 | 0 | 112.2 | E539 V545 T546 M547 | E539-D543 PolarHBondContact O-N 3.5Å; D543-V545 PolarHBondContact O-N 3.38Å; D543-T546 WeakPolarHBondContact O-CB 3.45Å; D543-T546 PolarHBondContact O-N 2.69Å; D543-T546 VanDerWaalsContact O-N 3.16Å; D543-M547 PolarHBondContact O-N 3.18Å |
| 544 | Q | 67.1 | Low | 65.9 | Low | 110 Ų | 110 | 91.1 Ų | 91.1 | 51% | 0.514 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.6 | -71.2 | 176.9 | 52.9 | 0 | 0 | 112.6 | Q540 L542 T546 M547 Q548 | Q540-Q544 WeakPolarHBondContact O-CG 3.44Å; Q540-Q544 PolarHBondContact O-NE2 3.48Å; L542-Q544 VanDerWaalsContact C-N 3.32Å; L542-Q544 PolarHBondContact O-N 2.9Å; Q544-T546 VanDerWaalsContact C-N 3.31Å; Q544-T546 PolarHBondContact O-N 3.19Å; Q544-M547 PolarHBondContact O-N 3.12Å; Q544-Q548 WeakPolarHBondContact O-CG 3.31Å; Q544-Q548 PolarHBondContact O-N 3.17Å; Q544-Q548 VanDerWaalsContact O-N 3.13Å |
| 545 | V | 63.8 | Low | 65.2 | Low | 22 Ų | 22 | 92.9 Ų | 92.9 | 13% | 0.133 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 175.5 | 176 | 0 | 0 | 0 | 0 | 110.9 | E541 L542 D543 A549 L562 Y565 | E541-V545 PolarHBondContact O-N 2.87Å; L542-V545 PolarHBondContact O-N 3.11Å; D543-V545 PolarHBondContact O-N 3.38Å; V545-A549 WeakPolarHBondContact O-CB 3.4Å; V545-A549 PolarHBondContact O-N 3.02Å; V545-A549 VanDerWaalsContact O-N 3.07Å; V545-L562 HydrophobicContact CG1-CD2 4.33Å; V545-Y565 HydrophobicContact CG2-CD1 3.99Å; V545-Y565 HydrophobicContact CG2-CD2 4.28Å; V545-Y565 HydrophobicContact CG2-CE1 4.46Å; V545-Y565 HydrophobicContact CG2-CG 3.89Å |
| 546 | T | 64.6 | Low | 64.7 | Low | 17 Ų | 17 | 92.9 Ų | 92.9 | 10% | 0.104 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 177.5 | -30.6 | 0 | 0 | 0 | 0 | 112.2 | L542 D543 Q544 A550 V583 | L542-T546 PolarHBondContact O-N 3.29Å; L542-T546 PolarHBondContact O-OG1 2.89Å; D543-T546 WeakPolarHBondContact O-CB 3.45Å; D543-T546 PolarHBondContact O-N 2.69Å; D543-T546 VanDerWaalsContact O-N 3.16Å; Q544-T546 VanDerWaalsContact C-N 3.31Å; Q544-T546 PolarHBondContact O-N 3.19Å; T546-A550 WeakPolarHBondContact O-CB 3.49Å; T546-A550 PolarHBondContact O-N 2.82Å; T546-V583 HydrophobicContact CG2-CG2 3.65Å |
| 547 | M | 64.1 | Low | 63.8 | Low | 125 Ų | 125 | 92.2 Ų | 92.2 | 62% | 0.616 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.6 | -50.5 | 174.8 | -70.4 | -162.6 | -64.4 | 0 | 0 | 112 | D543 Q544 A549 A550 E551 | D543-M547 PolarHBondContact O-N 3.18Å; Q544-M547 PolarHBondContact O-N 3.12Å; M547-A549 VanDerWaalsContact C-N 3.26Å; M547-A549 PolarHBondContact O-N 2.88Å; M547-A550 WeakPolarHBondContact O-CB 3.44Å; M547-A550 PolarHBondContact O-N 3.18Å; M547-E551 PolarHBondContact O-N 3.01Å |
| 548 | Q | 61 | Low | 63.1 | Low | 92 Ų | 92 | 87.6 Ų | 87.6 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.3 | -35.4 | -179.3 | -68.7 | 179.3 | 8.1 | 0 | 0 | 112.6 | Q544 A550 | Q544-Q548 WeakPolarHBondContact O-CG 3.31Å; Q544-Q548 PolarHBondContact O-N 3.17Å; Q544-Q548 VanDerWaalsContact O-N 3.13Å; Q548-A550 VanDerWaalsContact C-N 3.32Å |
| 549 | A | 59.4 | Low | 62.7 | Low | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -74.4 | -17.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V545 M547 L562 | V545-A549 WeakPolarHBondContact O-CB 3.4Å; V545-A549 PolarHBondContact O-N 3.02Å; V545-A549 VanDerWaalsContact O-N 3.07Å; M547-A549 VanDerWaalsContact C-N 3.26Å; M547-A549 PolarHBondContact O-N 2.88Å; A549-L562 HydrophobicContact CB-CD1 4.01Å; A549-L562 HydrophobicContact CB-CG 4.04Å |
| 550 | A | 57.2 | Low | 62.5 | Low | 10 Ų | 10 | 89.4 Ų | 89.4 | 8% | 0.083 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -87.3 | -29.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T546 M547 Q548 A586 R587 L590 | T546-A550 WeakPolarHBondContact O-CB 3.49Å; T546-A550 PolarHBondContact O-N 2.82Å; M547-A550 WeakPolarHBondContact O-CB 3.44Å; M547-A550 PolarHBondContact O-N 3.18Å; Q548-A550 VanDerWaalsContact C-N 3.32Å; A550-A586 HydrophobicContact CB-CB 4.19Å; A550-R587 HydrophobicContact CB-CG 4.4Å; A550-L590 HydrophobicContact CB-CD1 4Å |
| 551 | E | 57.6 | Low | 62.1 | Low | 146 Ų | 146 | 85.5 Ų | 85.5 | 68% | 0.682 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -77.2 | -24.5 | -178.5 | -64.7 | -170.7 | 137.7 | 0 | 0 | 113.9 | M547 E553 | M547-E551 PolarHBondContact O-N 3.01Å; E551-E553 PolarHBondContact O-N 3.48Å |
| 552 | I | 61.4 | Low | 61.8 | Low | 52 Ų | 52 | 80.4 Ų | 80.4 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | trans | -74.2 | 115.3 | 179.3 | -60.3 | 171.7 | 0 | 0 | 0 | 109.5 | N554 E557 A558 V561 R587 | I552-N554 VanDerWaalsContact C-N 3.3Å; I552-N554 HydrophobicContact CG2-CB 4.47Å; I552-N554 PolarHBondContact O-N 3.44Å; I552-E557 HydrophobicContact CG2-CB 4.21Å; I552-A558 HydrophobicContact CB-CB 4.33Å; I552-A558 HydrophobicContact CG2-CB 4.36Å; I552-V561 HydrophobicContact CD1-CB 4.49Å; I552-V561 HydrophobicContact CD1-CG2 3.83Å; I552-R587 PolarHBondContact O-NH2 3.46Å | ||
| 553 | E | 56.5 | Low | 61.6 | Low | 144 Ų | 144 | 83.3 Ų | 83.3 | 67% | 0.673 | 40% | 0.399 | S | S | * | . | trans | -75.9 | -15.8 | -176.3 | -57.5 | -164.3 | 149.3 | 0 | 0 | 113.2 | E551 R594 | E551-E553 PolarHBondContact O-N 3.48Å; E553-R594 IonicContact OE1-CZ 2.83Å; E553-R594 IonicContact OE1-NH1 3.67Å; E553-R594 PolarHBondContact OE1-NH1 3.27Å; E553-R594 IonicContact OE1-NH2 2.79Å; E553-R594 PolarHBondContact OE1-NH2 3.16Å | ||
| 554 | N | 61 | Low | 61.2 | Low | 91 Ų | 91 | 82.4 Ų | 82.4 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | trans | -99 | 121.8 | -178.4 | -162.4 | 18.6 | 0 | 0 | 0 | 112.4 | I552 E557 A558 | I552-N554 VanDerWaalsContact C-N 3.3Å; I552-N554 HydrophobicContact CG2-CB 4.47Å; I552-N554 PolarHBondContact O-N 3.44Å; N554-E557 PolarHBondContact ND2-OE2 3.24Å; N554-E557 PolarHBondContact O-N 3.39Å; N554-A558 PolarHBondContact O-N 2.64Å | ||
| 555 | E | 61.3 | Low | 60.8 | Low | 118 Ų | 118 | 84.5 Ų | 84.5 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.3 | -36.5 | -166.2 | -56.1 | -148.9 | 117.4 | 0 | 0 | 114.6 | E557 A558 E559 R587 | E555-E557 PolarHBondContact O-N 3.45Å; E555-A558 PolarHBondContact O-N 3.29Å; E555-E559 PolarHBondContact O-N 3.45Å; E555-E559 VanDerWaalsContact O-N 3.1Å; E555-R587 IonicContact OE1-CZ 2.69Å; E555-R587 IonicContact OE1-NH1 3.89Å; E555-R587 PolarHBondContact OE1-NH1 2.92Å |
| 556 | E | 62.3 | Low | 60.5 | Low | 147 Ų | 147 | 85.6 Ų | 85.6 | 69% | 0.687 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -73.5 | -11.7 | -178.8 | -62.8 | -170.5 | 173.9 | 0 | 0 | 114.5 | R560 | E556-R560 PolarHBondContact O-NE 2.96Å; E556-R560 VanDerWaalsContact O-NE 3.14Å; E556-R560 PolarHBondContact O-NH2 3.16Å |
| 557 | E | 58.2 | Low | 60 | Low | 95 Ų | 95 | 86.5 Ų | 86.5 | 44% | 0.444 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -96.7 | -37.3 | 173.2 | -70.5 | 178.3 | 118.4 | 0 | 0 | 110.7 | I552 N554 E555 E559 R560 V561 | I552-E557 HydrophobicContact CG2-CB 4.21Å; N554-E557 PolarHBondContact ND2-OE2 3.24Å; N554-E557 PolarHBondContact O-N 3.39Å; E555-E557 PolarHBondContact O-N 3.45Å; E557-E559 PolarHBondContact O-N 3.43Å; E557-R560 WeakPolarHBondContact O-CA 3.46Å; E557-R560 VanDerWaalsContact O-CB 3.3Å; E557-R560 WeakPolarHBondContact O-CB 3.48Å; E557-R560 PolarHBondContact O-N 3.41Å; E557-V561 PolarHBondContact O-N 3.07Å |
| 558 | A | 58.2 | Low | 59.6 | Low | 9 Ų | 9 | 83.3 Ų | 83.3 | 7% | 0.074 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | I552 N554 E555 R560 V561 L562 | I552-A558 HydrophobicContact CB-CB 4.33Å; I552-A558 HydrophobicContact CG2-CB 4.36Å; N554-A558 PolarHBondContact O-N 2.64Å; E555-A558 PolarHBondContact O-N 3.29Å; A558-R560 PolarHBondContact O-N 3Å; A558-V561 PolarHBondContact O-N 2.79Å; A558-L562 PolarHBondContact O-N 3.02Å; A558-L562 VanDerWaalsContact O-N 3.14Å |
| 559 | E | 61.6 | Low | 59 | Low | 103 Ų | 103 | 82.7 Ų | 82.7 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.4 | -25.9 | 174.1 | -68 | -146.8 | 136.6 | 0 | 0 | 112.8 | E555 E557 F563 K580 | E555-E559 PolarHBondContact O-N 3.45Å; E555-E559 VanDerWaalsContact O-N 3.1Å; E557-E559 PolarHBondContact O-N 3.43Å; E559-F563 WeakPolarHBondContact O-CB 3.4Å; E559-F563 PolarHBondContact O-N 3.37Å; E559-K580 IonicContact OE1-NZ 3.8Å; E559-K580 PolarHBondContact OE1-NZ 3.4Å |
| 560 | R | 62.8 | Low | 58.4 | Low | 156 Ų | 156 | 90 Ų | 90 | 59% | 0.589 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -73.6 | -42.9 | 177.6 | -126.4 | 177.2 | -66 | 179.7 | -2.4 | 112.3 | E556 E557 A558 F563 S564 | E556-R560 PolarHBondContact O-NE 2.96Å; E556-R560 VanDerWaalsContact O-NE 3.14Å; E556-R560 PolarHBondContact O-NH2 3.16Å; E557-R560 WeakPolarHBondContact O-CA 3.46Å; E557-R560 VanDerWaalsContact O-CB 3.3Å; E557-R560 WeakPolarHBondContact O-CB 3.48Å; E557-R560 PolarHBondContact O-N 3.41Å; A558-R560 PolarHBondContact O-N 3Å; R560-F563 PolarHBondContact O-N 3.28Å; R560-S564 PolarHBondContact O-N 2.95Å; R560-S564 PolarHBondContact O-OG 3.39Å |
| 561 | V | 63 | Low | 58.2 | Low | 40 Ų | 40 | 93.2 Ų | 93.2 | 24% | 0.242 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 175 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | I552 E557 A558 F563 S564 | I552-V561 HydrophobicContact CD1-CB 4.49Å; I552-V561 HydrophobicContact CD1-CG2 3.83Å; E557-V561 PolarHBondContact O-N 3.07Å; A558-V561 PolarHBondContact O-N 2.79Å; V561-F563 VanDerWaalsContact C-N 3.33Å; V561-F563 PolarHBondContact O-N 3.08Å; V561-S564 WeakPolarHBondContact CA-OG 3.36Å; V561-S564 PolarHBondContact O-N 3.2Å; V561-S564 PolarHBondContact O-OG 3.41Å |
| 562 | L | 62.3 | Low | 57.8 | Low | 18 Ų | 18 | 90.4 Ų | 90.4 | 9% | 0.094 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -54.6 | -48.4 | 170.1 | -88.4 | 153.8 | 0 | 0 | 0 | 111.3 | V545 A549 A558 S564 Y565 Y567 L579 | V545-L562 HydrophobicContact CG1-CD2 4.33Å; A549-L562 HydrophobicContact CB-CD1 4.01Å; A549-L562 HydrophobicContact CB-CG 4.04Å; A558-L562 PolarHBondContact O-N 3.02Å; A558-L562 VanDerWaalsContact O-N 3.14Å; L562-S564 VanDerWaalsContact C-N 3.35Å; L562-S564 PolarHBondContact O-N 3.45Å; L562-Y565 PolarHBondContact O-N 3.33Å; L562-Y567 HydrophobicContact CB-CD1 4.28Å; L562-Y567 HydrophobicContact CB-CG 4.38Å; L562-Y567 HydrophobicContact CD2-CD2 4.22Å; L562-Y567 HydrophobicContact CD2-CE2 4.48Å; L562-Y567 HydrophobicContact CD2-CG 4.32Å; L562-Y567 WeakPolarHBondContact O-CB 3.35Å; L562-L579 HydrophobicContact CD2-CD2 4.48Å |
| 563 | F | 61 | Low | 57.3 | Low | 145 Ų | 145 | 93.9 Ų | 93.9 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -37 | -178.3 | -154.1 | -94.5 | 0 | 0 | 0 | 113.5 | E559 R560 V561 Y565 G566 Y567 | E559-F563 WeakPolarHBondContact O-CB 3.4Å; E559-F563 PolarHBondContact O-N 3.37Å; R560-F563 PolarHBondContact O-N 3.28Å; V561-F563 VanDerWaalsContact C-N 3.33Å; V561-F563 PolarHBondContact O-N 3.08Å; F563-Y565 VanDerWaalsContact C-N 3.27Å; F563-Y565 PolarHBondContact O-N 3.26Å; F563-G566 PolarHBondContact O-N 2.83Å; F563-G566 VanDerWaalsContact O-N 3.15Å; F563-Y567 WeakPolarHBondContact CD2-O 3.35Å |
| 564 | S | 61.2 | Low | 57.2 | Low | 91 Ų | 91 | 92.1 Ų | 92.1 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -27.6 | 176.9 | 40.9 | 0 | 0 | 0 | 0 | 114.2 | R560 V561 L562 G566 | R560-S564 PolarHBondContact O-N 2.95Å; R560-S564 PolarHBondContact O-OG 3.39Å; V561-S564 WeakPolarHBondContact CA-OG 3.36Å; V561-S564 PolarHBondContact O-N 3.2Å; V561-S564 PolarHBondContact O-OG 3.41Å; L562-S564 VanDerWaalsContact C-N 3.35Å; L562-S564 PolarHBondContact O-N 3.45Å; S564-G566 PolarHBondContact O-N 3.4Å |
| 565 | Y | 59.1 | Low | 56.9 | Low | 153 Ų | 153 | 89.6 Ų | 89.6 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 33 | 173 | -76.2 | -85.3 | 0 | 0 | 0 | 112.9 | V545 L562 F563 Y567 | V545-Y565 HydrophobicContact CG2-CD1 3.99Å; V545-Y565 HydrophobicContact CG2-CD2 4.28Å; V545-Y565 HydrophobicContact CG2-CE1 4.46Å; V545-Y565 HydrophobicContact CG2-CG 3.89Å; L562-Y565 PolarHBondContact O-N 3.33Å; F563-Y565 VanDerWaalsContact C-N 3.27Å; F563-Y565 PolarHBondContact O-N 3.26Å; Y565-Y567 VanDerWaalsContact C-N 3.33Å; Y565-Y567 PolarHBondContact O-N 3.35Å |
| 566 | G | 57 | Low | 56.6 | Low | 45 Ų | 45 | 89.2 Ų | 89.2 | 46% | 0.464 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 15.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F563 S564 G568 A569 | F563-G566 PolarHBondContact O-N 2.83Å; F563-G566 VanDerWaalsContact O-N 3.15Å; S564-G566 PolarHBondContact O-N 3.4Å; G566-G568 PolarHBondContact O-N 3.13Å; G566-A569 PolarHBondContact O-N 2.81Å |
| 567 | Y | 53.3 | Low | 56.5 | Low | 37 Ų | 37 | 91 Ų | 91 | 15% | 0.145 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 70.8 | -178.2 | -172.1 | -103.9 | 0 | 0 | 0 | 112.8 | L562 F563 Y565 L579 | L562-Y567 HydrophobicContact CB-CD1 4.28Å; L562-Y567 HydrophobicContact CB-CG 4.38Å; L562-Y567 HydrophobicContact CD2-CD2 4.22Å; L562-Y567 HydrophobicContact CD2-CE2 4.48Å; L562-Y567 HydrophobicContact CD2-CG 4.32Å; L562-Y567 WeakPolarHBondContact O-CB 3.35Å; F563-Y567 WeakPolarHBondContact CD2-O 3.35Å; Y565-Y567 VanDerWaalsContact C-N 3.33Å; Y565-Y567 PolarHBondContact O-N 3.35Å; Y567-L579 HydrophobicContact CD2-CD2 4.14Å; Y567-L579 HydrophobicContact CE2-CB 4.42Å; Y567-L579 HydrophobicContact CE2-CD2 3.89Å |
| 568 | G | 55.5 | Low | 56.5 | Low | 58 Ų | 58 | 95.8 Ų | 95.8 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 177.9 | -27.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G566 | G566-G568 PolarHBondContact O-N 3.13Š|
| 569 | A | 49 | Very low | 56.7 | Low | 79 Ų | 79 | 97.3 Ų | 97.3 | 65% | 0.653 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -85.6 | -69.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | G566 | G566-A569 PolarHBondContact O-N 2.81Š|
| 570 | N | 47.8 | Very low | 56.9 | Low | 153 Ų | 153 | 96.7 Ų | 96.7 | 82% | 0.818 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -117.9 | 13.8 | -157.8 | -67.2 | -14.1 | 0 | 0 | 0 | 115.4 | ||
| 571 | V | 51.7 | Low | 57 | Low | 77 Ų | 77 | 94.2 Ų | 94.2 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | trans | -99.9 | 120.9 | -178.2 | 179.7 | 0 | 0 | 0 | 0 | 111 | A575 | V571-A575 HydrophobicContact CG1-CB 3.71Š| ||
| 572 | P | 50.3 | Low | 57 | Low | 88 Ų | 88 | 94.5 Ų | 94.5 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | trans | -55.8 | 147.5 | 179.6 | -28.7 | 36.4 | 0 | 0 | 0 | 114.5 | T574 A575 K576 | P572-T574 PolarHBondContact O-N 3.09Å; P572-T574 VanDerWaalsContact O-N 3.09Å; P572-A575 WeakPolarHBondContact O-CB 3.48Å; P572-A575 PolarHBondContact O-N 2.9Å; P572-K576 PolarHBondContact O-N 2.9Å; P572-K576 VanDerWaalsContact O-N 3.09Å | ||
| 573 | T | 50.7 | Low | 57.2 | Low | 124 Ų | 124 | 94.3 Ų | 94.3 | 76% | 0.761 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -25 | -170.2 | 51.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 574 | T | 55.1 | Low | 57.5 | Low | 108 Ų | 108 | 91.9 Ų | 91.9 | 66% | 0.663 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73.3 | -40.7 | 173 | 48.4 | 0 | 0 | 0 | 0 | 112.6 | P572 R577 R578 | P572-T574 PolarHBondContact O-N 3.09Å; P572-T574 VanDerWaalsContact O-N 3.09Å; T574-R577 PolarHBondContact O-N 3Å; T574-R578 PolarHBondContact O-N 3.26Å |
| 575 | A | 53.4 | Low | 57.8 | Low | 37 Ų | 37 | 92.7 Ų | 92.7 | 31% | 0.306 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V571 P572 R577 R578 L579 | V571-A575 HydrophobicContact CG1-CB 3.71Å; P572-A575 WeakPolarHBondContact O-CB 3.48Å; P572-A575 PolarHBondContact O-N 2.9Å; A575-R577 VanDerWaalsContact C-N 3.26Å; A575-R577 PolarHBondContact O-N 3.14Å; A575-R578 PolarHBondContact O-N 3.49Å; A575-L579 PolarHBondContact O-N 3.14Å |
| 576 | K | 55.3 | Low | 58.1 | Low | 110 Ų | 110 | 86.9 Ų | 86.9 | 48% | 0.478 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -53.8 | -39.3 | 173.1 | -173.1 | 172.4 | -176.4 | 169.5 | 0 | 113.1 | P572 K580 | P572-K576 PolarHBondContact O-N 2.9Å; P572-K576 VanDerWaalsContact O-N 3.09Å; K576-K580 PolarHBondContact O-N 2.71Å |
| 577 | R | 59.9 | Low | 58.5 | Low | 186 Ų | 186 | 87.3 Ų | 87.3 | 70% | 0.702 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -71.6 | -39.6 | 175.7 | -168.8 | 176.2 | -175.3 | 178 | 2.5 | 112.2 | T574 A575 Q581 | T574-R577 PolarHBondContact O-N 3Å; A575-R577 VanDerWaalsContact C-N 3.26Å; A575-R577 PolarHBondContact O-N 3.14Å; R577-Q581 WeakPolarHBondContact O-CG 3.24Å; R577-Q581 PolarHBondContact O-N 3.32Å; R577-Q581 VanDerWaalsContact O-N 3.11Å |
| 578 | R | 58.6 | Low | 59.3 | Low | 195 Ų | 195 | 93.5 Ų | 93.5 | 74% | 0.736 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 175.4 | -75 | -174 | 177 | 172.1 | -0.9 | 111.9 | T574 A575 K580 Q581 S582 | T574-R578 PolarHBondContact O-N 3.26Å; A575-R578 PolarHBondContact O-N 3.49Å; R578-K580 PolarHBondContact O-N 2.94Å; R578-Q581 CarbonylContact O-C 3.6Å; R578-Q581 WeakPolarHBondContact O-CA 3.33Å; R578-Q581 WeakPolarHBondContact O-CB 3.48Å; R578-Q581 PolarHBondContact O-N 3Å; R578-S582 PolarHBondContact O-N 2.92Å; R578-S582 PolarHBondContact O-OG 3.1Å |
| 579 | L | 63.1 | Low | 60 | Low | 40 Ų | 40 | 94.2 Ų | 94.2 | 21% | 0.209 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | -177.9 | -141 | 80.8 | 0 | 0 | 0 | 112 | L562 Y567 A575 Q581 S582 V583 | L562-L579 HydrophobicContact CD2-CD2 4.48Å; Y567-L579 HydrophobicContact CD2-CD2 4.14Å; Y567-L579 HydrophobicContact CE2-CB 4.42Å; Y567-L579 HydrophobicContact CE2-CD2 3.89Å; A575-L579 PolarHBondContact O-N 3.14Å; L579-Q581 VanDerWaalsContact C-N 3.27Å; L579-Q581 PolarHBondContact O-N 3.43Å; L579-S582 WeakPolarHBondContact CA-OG 3.32Å; L579-S582 PolarHBondContact O-N 2.92Å; L579-S582 PolarHBondContact O-OG 3.49Å; L579-S582 VanDerWaalsContact O-OG 3.04Å; L579-V583 WeakPolarHBondContact O-CG2 3.49Å; L579-V583 PolarHBondContact O-N 2.94Å |
| 580 | K | 64.6 | Low | 60.9 | Low | 90 Ų | 90 | 93.6 Ų | 93.6 | 39% | 0.391 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.2 | -28.2 | 174.2 | -164.1 | 156.4 | -176.1 | 167.1 | 0 | 112.4 | E559 K576 R578 H584 | E559-K580 IonicContact OE1-NZ 3.8Å; E559-K580 PolarHBondContact OE1-NZ 3.4Å; K576-K580 PolarHBondContact O-N 2.71Å; R578-K580 PolarHBondContact O-N 2.94Å; K580-H584 WeakPolarHBondContact O-CB 3.47Å; K580-H584 PolarHBondContact O-CD2 3.03Å; K580-H584 VanDerWaalsContact O-CG 3.27Å; K580-H584 PolarHBondContact O-N 3.18Å |
| 581 | Q | 66.1 | Low | 61.8 | Low | 104 Ų | 104 | 92.1 Ų | 92.1 | 49% | 0.486 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.6 | -37.9 | 170 | -74.9 | -179.6 | -54.5 | 0 | 0 | 113.2 | R577 R578 L579 H584 L585 | R577-Q581 WeakPolarHBondContact O-CG 3.24Å; R577-Q581 PolarHBondContact O-N 3.32Å; R577-Q581 VanDerWaalsContact O-N 3.11Å; R578-Q581 CarbonylContact O-C 3.6Å; R578-Q581 WeakPolarHBondContact O-CA 3.33Å; R578-Q581 WeakPolarHBondContact O-CB 3.48Å; R578-Q581 PolarHBondContact O-N 3Å; L579-Q581 VanDerWaalsContact C-N 3.27Å; L579-Q581 PolarHBondContact O-N 3.43Å; Q581-H584 PolarHBondContact O-N 2.96Å; Q581-L585 WeakPolarHBondContact O-CB 3.45Å; Q581-L585 WeakPolarHBondContact O-CG 3.25Å; Q581-L585 PolarHBondContact O-N 3.48Å |
| 582 | S | 61.8 | Low | 62.7 | Low | 47 Ų | 47 | 92.6 Ų | 92.6 | 33% | 0.329 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72 | -34.7 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | R578 L579 L585 A586 | R578-S582 PolarHBondContact O-N 2.92Å; R578-S582 PolarHBondContact O-OG 3.1Å; L579-S582 WeakPolarHBondContact CA-OG 3.32Å; L579-S582 PolarHBondContact O-N 2.92Å; L579-S582 PolarHBondContact O-OG 3.49Å; L579-S582 VanDerWaalsContact O-OG 3.04Å; S582-L585 PolarHBondContact O-N 3.38Å; S582-A586 VanDerWaalsContact O-CB 3.23Å; S582-A586 WeakPolarHBondContact O-CB 3.25Å; S582-A586 PolarHBondContact O-N 3.48Å |
| 583 | V | 66.7 | Low | 63.5 | Low | 14 Ų | 14 | 93.4 Ų | 93.4 | 9% | 0.085 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 168.8 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | T546 L579 A586 R587 | T546-V583 HydrophobicContact CG2-CG2 3.65Å; L579-V583 WeakPolarHBondContact O-CG2 3.49Å; L579-V583 PolarHBondContact O-N 2.94Å; V583-A586 PolarHBondContact O-N 2.89Å; V583-R587 PolarHBondContact O-N 3.31Å |
| 584 | H | 67.8 | Low | 64.4 | Low | 93 Ų | 93 | 94.6 Ų | 94.6 | 43% | 0.431 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.2 | -34.3 | 175.9 | -71.4 | -28.6 | 0 | 0 | 0 | 113 | K580 Q581 R588 | K580-H584 WeakPolarHBondContact O-CB 3.47Å; K580-H584 PolarHBondContact O-CD2 3.03Å; K580-H584 VanDerWaalsContact O-CG 3.27Å; K580-H584 PolarHBondContact O-N 3.18Å; Q581-H584 PolarHBondContact O-N 2.96Å; H584-R588 VanDerWaalsContact O-CB 3.27Å; H584-R588 WeakPolarHBondContact O-CB 3.25Å; H584-R588 PolarHBondContact O-N 3.28Å |
| 585 | L | 67.9 | Low | 65.1 | Low | 108 Ų | 108 | 94.1 Ų | 94.1 | 57% | 0.565 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69.6 | -41.7 | 172.3 | -79 | 164.6 | 0 | 0 | 0 | 111.4 | Q581 S582 R588 V589 | Q581-L585 WeakPolarHBondContact O-CB 3.45Å; Q581-L585 WeakPolarHBondContact O-CG 3.25Å; Q581-L585 PolarHBondContact O-N 3.48Å; S582-L585 PolarHBondContact O-N 3.38Å; L585-R588 CarbonylContact O-C 3.6Å; L585-R588 PolarHBondContact O-N 3.41Å; L585-R588 VanDerWaalsContact O-N 3.12Å; L585-V589 WeakPolarHBondContact O-CB 3.31Å; L585-V589 VanDerWaalsContact O-CG2 3.3Å; L585-V589 WeakPolarHBondContact O-CG2 3.47Å; L585-V589 PolarHBondContact O-N 2.94Å |
| 586 | A | 63.6 | Low | 65.8 | Low | 31 Ų | 31 | 95.8 Ų | 95.8 | 26% | 0.256 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A550 S582 V583 R588 V589 L590 | A550-A586 HydrophobicContact CB-CB 4.19Å; S582-A586 VanDerWaalsContact O-CB 3.23Å; S582-A586 WeakPolarHBondContact O-CB 3.25Å; S582-A586 PolarHBondContact O-N 3.48Å; V583-A586 PolarHBondContact O-N 2.89Å; A586-R588 VanDerWaalsContact C-N 3.3Å; A586-R588 PolarHBondContact O-N 2.87Å; A586-V589 PolarHBondContact O-N 2.96Å; A586-L590 WeakPolarHBondContact O-CB 3.31Å; A586-L590 PolarHBondContact O-N 3.12Å |
| 587 | R | 66.2 | Low | 66.6 | Low | 55 Ų | 55 | 93.8 Ų | 93.8 | 21% | 0.208 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -56 | -42.7 | 169.7 | -88.3 | -176.1 | 165.7 | -172.5 | -1.9 | 112 | A550 I552 E555 V583 Q591 | A550-R587 HydrophobicContact CB-CG 4.4Å; I552-R587 PolarHBondContact O-NH2 3.46Å; E555-R587 IonicContact OE1-CZ 2.69Å; E555-R587 IonicContact OE1-NH1 3.89Å; E555-R587 PolarHBondContact OE1-NH1 2.92Å; V583-R587 PolarHBondContact O-N 3.31Å; R587-Q591 VanDerWaalsContact O-CB 3.28Å; R587-Q591 WeakPolarHBondContact O-CB 3.41Å; R587-Q591 PolarHBondContact O-N 2.72Å |
| 588 | R | 70.3 | Confident | 67.3 | Low | 167 Ų | 167 | 89.3 Ų | 89.3 | 63% | 0.63 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -72.9 | -28.7 | 179.1 | -169.6 | 166.7 | -178.8 | 148.7 | -0.1 | 113.3 | H584 L585 A586 L592 | H584-R588 VanDerWaalsContact O-CB 3.27Å; H584-R588 WeakPolarHBondContact O-CB 3.25Å; H584-R588 PolarHBondContact O-N 3.28Å; L585-R588 CarbonylContact O-C 3.6Å; L585-R588 PolarHBondContact O-N 3.41Å; L585-R588 VanDerWaalsContact O-N 3.12Å; A586-R588 VanDerWaalsContact C-N 3.3Å; A586-R588 PolarHBondContact O-N 2.87Å; R588-L592 HydrophobicContact CG-CD1 4.26Å; R588-L592 VanDerWaalsContact O-CB 3.24Å; R588-L592 WeakPolarHBondContact O-CB 3.46Å; R588-L592 WeakPolarHBondContact O-CD1 3.5Å; R588-L592 WeakPolarHBondContact O-CG 3.24Å; R588-L592 PolarHBondContact O-N 2.97Å |
| 589 | V | 69.3 | Low | 67.9 | Low | 73 Ų | 73 | 85.5 Ų | 85.5 | 44% | 0.442 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.7 | -49.6 | 171.9 | 168.1 | 0 | 0 | 0 | 0 | 109.3 | L585 A586 Q591 L592 E593 | L585-V589 WeakPolarHBondContact O-CB 3.31Å; L585-V589 VanDerWaalsContact O-CG2 3.3Å; L585-V589 WeakPolarHBondContact O-CG2 3.47Å; L585-V589 PolarHBondContact O-N 2.94Å; A586-V589 PolarHBondContact O-N 2.96Å; V589-Q591 PolarHBondContact O-N 3.27Å; V589-L592 CarbonylContact O-C 3.58Å; V589-L592 WeakPolarHBondContact O-CA 3.2Å; V589-L592 WeakPolarHBondContact O-CB 3.22Å; V589-L592 PolarHBondContact O-N 2.88Å; V589-E593 HydrophobicContact CG1-CG 4.3Å; V589-E593 WeakPolarHBondContact O-CB 3.46Å; V589-E593 WeakPolarHBondContact O-CG 3.2Å; V589-E593 PolarHBondContact O-N 3.34Å |
| 590 | L | 69.6 | Low | 68.3 | Low | 65 Ų | 65 | 91.1 Ų | 91.1 | 34% | 0.34 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -54.6 | -38.6 | 170.7 | -86.7 | 162.7 | 0 | 0 | 0 | 112.2 | A550 A586 E593 R594 | A550-L590 HydrophobicContact CB-CD1 4Å; A586-L590 WeakPolarHBondContact O-CB 3.31Å; A586-L590 PolarHBondContact O-N 3.12Å; L590-E593 PolarHBondContact O-N 3.46Å; L590-R594 WeakPolarHBondContact O-CB 3.31Å; L590-R594 WeakPolarHBondContact O-CG 3.42Å; L590-R594 PolarHBondContact O-N 3.01Å |
| 591 | Q | 66.5 | Low | 68.6 | Low | 122 Ų | 122 | 94.3 Ų | 94.3 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -71.3 | -39 | 175.1 | -159.9 | 173.5 | 46.7 | 0 | 0 | 112.1 | R587 V589 E593 Q595 | R587-Q591 VanDerWaalsContact O-CB 3.28Å; R587-Q591 WeakPolarHBondContact O-CB 3.41Å; R587-Q591 PolarHBondContact O-N 2.72Å; V589-Q591 PolarHBondContact O-N 3.27Å; Q591-E593 VanDerWaalsContact C-N 3.3Å; Q591-E593 PolarHBondContact O-N 3.5Å; Q591-Q595 WeakPolarHBondContact O-CB 3.45Å; Q591-Q595 VanDerWaalsContact O-CG 3.29Å; Q591-Q595 WeakPolarHBondContact O-CG 3.37Å; Q591-Q595 PolarHBondContact O-N 3.33Å |
| 592 | L | 70.8 | Confident | 69 | Low | 88 Ų | 88 | 92 Ų | 92 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.8 | -23.6 | 171.8 | -79.1 | 165.8 | 0 | 0 | 0 | 112.8 | R588 V589 Q595 N596 | R588-L592 HydrophobicContact CG-CD1 4.26Å; R588-L592 VanDerWaalsContact O-CB 3.24Å; R588-L592 WeakPolarHBondContact O-CB 3.46Å; R588-L592 WeakPolarHBondContact O-CD1 3.5Å; R588-L592 WeakPolarHBondContact O-CG 3.24Å; R588-L592 PolarHBondContact O-N 2.97Å; V589-L592 CarbonylContact O-C 3.58Å; V589-L592 WeakPolarHBondContact O-CA 3.2Å; V589-L592 WeakPolarHBondContact O-CB 3.22Å; V589-L592 PolarHBondContact O-N 2.88Å; L592-Q595 CarbonylContact O-C 3.57Å; L592-N596 VanDerWaalsContact O-CB 3.29Å; L592-N596 WeakPolarHBondContact O-CB 3.46Å; L592-N596 PolarHBondContact O-N 2.82Å |
| 593 | E | 67 | Low | 69.6 | Low | 104 Ų | 104 | 94.2 Ų | 94.2 | 49% | 0.486 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -86.1 | -37.2 | 174.8 | -74.6 | -176.8 | 131.7 | 0 | 0 | 111.9 | V589 L590 Q591 Q595 N596 T597 | V589-E593 HydrophobicContact CG1-CG 4.3Å; V589-E593 WeakPolarHBondContact O-CB 3.46Å; V589-E593 WeakPolarHBondContact O-CG 3.2Å; V589-E593 PolarHBondContact O-N 3.34Å; L590-E593 PolarHBondContact O-N 3.46Å; Q591-E593 VanDerWaalsContact C-N 3.3Å; Q591-E593 PolarHBondContact O-N 3.5Å; E593-Q595 PolarHBondContact O-N 3Å; E593-N596 PolarHBondContact O-N 3.4Å; E593-N596 VanDerWaalsContact O-N 3.17Å; E593-T597 WeakPolarHBondContact O-CB 3.45Å; E593-T597 WeakPolarHBondContact O-CG2 3.31Å; E593-T597 PolarHBondContact O-N 2.92Å; E593-T597 PolarHBondContact O-OG1 3.28Å |
| 594 | R | 69.3 | Low | 69.9 | Low | 150 Ų | 150 | 97.2 Ų | 97.2 | 57% | 0.566 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -56.8 | -38.2 | 161.8 | -72.8 | 179.7 | -175.1 | -171.3 | 5.3 | 109.6 | E553 L590 T597 L598 | E553-R594 IonicContact OE1-CZ 2.83Å; E553-R594 IonicContact OE1-NH1 3.67Å; E553-R594 PolarHBondContact OE1-NH1 3.27Å; E553-R594 IonicContact OE1-NH2 2.79Å; E553-R594 PolarHBondContact OE1-NH2 3.16Å; L590-R594 WeakPolarHBondContact O-CB 3.31Å; L590-R594 WeakPolarHBondContact O-CG 3.42Å; L590-R594 PolarHBondContact O-N 3.01Å; R594-T597 PolarHBondContact O-OG1 2.7Å; R594-L598 WeakPolarHBondContact O-CD1 3.41Å; R594-L598 VanDerWaalsContact O-CG 3.28Å; R594-L598 WeakPolarHBondContact O-CG 3.28Å; R594-L598 PolarHBondContact O-N 3.44Å; R594-L598 VanDerWaalsContact O-N 3.16Å |
| 595 | Q | 69.6 | Low | 70.3 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 45% | 0.453 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74 | -36.8 | 171 | -72 | 172.5 | 0.8 | 0 | 0 | 113.6 | Q591 L592 E593 T597 L598 L599 | Q591-Q595 WeakPolarHBondContact O-CB 3.45Å; Q591-Q595 VanDerWaalsContact O-CG 3.29Å; Q591-Q595 WeakPolarHBondContact O-CG 3.37Å; Q591-Q595 PolarHBondContact O-N 3.33Å; L592-Q595 CarbonylContact O-C 3.57Å; E593-Q595 PolarHBondContact O-N 3Å; Q595-T597 VanDerWaalsContact C-N 3.35Å; Q595-L598 PolarHBondContact O-N 2.9Å; Q595-L599 WeakPolarHBondContact O-CB 3.28Å; Q595-L599 VanDerWaalsContact O-CG 3.32Å; Q595-L599 WeakPolarHBondContact O-CG 3.39Å; Q595-L599 PolarHBondContact O-N 3.06Å |
| 596 | N | 68.4 | Low | 70.4 | Confident | 72 Ų | 72 | 100.4 Ų | 100.4 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.4 | -34.7 | 178.5 | -142.2 | -89.8 | 0 | 0 | 0 | 111 | L592 E593 R600 | L592-N596 VanDerWaalsContact O-CB 3.29Å; L592-N596 WeakPolarHBondContact O-CB 3.46Å; L592-N596 PolarHBondContact O-N 2.82Å; E593-N596 PolarHBondContact O-N 3.4Å; E593-N596 VanDerWaalsContact O-N 3.17Å; N596-R600 VanDerWaalsContact O-CB 3.24Å; N596-R600 WeakPolarHBondContact O-CB 3.27Å; N596-R600 WeakPolarHBondContact O-CG 3.32Å; N596-R600 PolarHBondContact O-N 3.47Å; N596-R600 PolarHBondContact OD1-NE 3.13Å; N596-R600 PolarHBondContact OD1-NH2 3.01Å |
| 597 | T | 72.3 | Confident | 70.7 | Confident | 68 Ų | 68 | 104.7 Ų | 104.7 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.5 | -29.4 | 174.5 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | E593 R594 Q595 R601 | E593-T597 WeakPolarHBondContact O-CB 3.45Å; E593-T597 WeakPolarHBondContact O-CG2 3.31Å; E593-T597 PolarHBondContact O-N 2.92Å; E593-T597 PolarHBondContact O-OG1 3.28Å; R594-T597 PolarHBondContact O-OG1 2.7Å; Q595-T597 VanDerWaalsContact C-N 3.35Å; T597-R601 WeakPolarHBondContact O-CB 3.46Å; T597-R601 WeakPolarHBondContact O-CD 3.42Å; T597-R601 VanDerWaalsContact O-CG 3.23Å; T597-R601 WeakPolarHBondContact O-CG 3.46Å; T597-R601 PolarHBondContact O-N 3.4Å |
| 598 | L | 73.6 | Confident | 70.9 | Confident | 92 Ų | 92 | 107.2 Ų | 107.2 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -52 | 164.9 | -75 | 167.9 | 0 | 0 | 0 | 111.2 | R594 Q595 R600 R601 D602 | R594-L598 WeakPolarHBondContact O-CD1 3.41Å; R594-L598 VanDerWaalsContact O-CG 3.28Å; R594-L598 WeakPolarHBondContact O-CG 3.28Å; R594-L598 PolarHBondContact O-N 3.44Å; R594-L598 VanDerWaalsContact O-N 3.16Å; Q595-L598 PolarHBondContact O-N 2.9Å; L598-R600 VanDerWaalsContact C-N 3.26Å; L598-R600 PolarHBondContact O-N 2.99Å; L598-R601 CarbonylContact O-C 3.55Å; L598-R601 WeakPolarHBondContact O-CA 3.39Å; L598-R601 WeakPolarHBondContact O-CB 3.34Å; L598-R601 PolarHBondContact O-N 2.93Å; L598-D602 PolarHBondContact O-N 3.39Å |
| 599 | L | 70.9 | Confident | 71 | Confident | 116 Ų | 116 | 103.9 Ų | 103.9 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.4 | -30.1 | 177.4 | -72.9 | 169.6 | 0 | 0 | 0 | 113 | Q595 L603 | Q595-L599 WeakPolarHBondContact O-CB 3.28Å; Q595-L599 VanDerWaalsContact O-CG 3.32Å; Q595-L599 WeakPolarHBondContact O-CG 3.39Å; Q595-L599 PolarHBondContact O-N 3.06Å; L599-L603 WeakPolarHBondContact O-CB 3.39Å; L599-L603 PolarHBondContact O-N 3.24Å |
| 600 | R | 71.8 | Confident | 71 | Confident | 157 Ų | 157 | 104.8 Ų | 104.8 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.4 | -41.9 | 169.7 | -76.6 | 172.9 | -163.8 | -154.4 | 3.4 | 111.5 | N596 L598 D602 L603 D604 | N596-R600 VanDerWaalsContact O-CB 3.24Å; N596-R600 WeakPolarHBondContact O-CB 3.27Å; N596-R600 WeakPolarHBondContact O-CG 3.32Å; N596-R600 PolarHBondContact O-N 3.47Å; N596-R600 PolarHBondContact OD1-NE 3.13Å; N596-R600 PolarHBondContact OD1-NH2 3.01Å; L598-R600 VanDerWaalsContact C-N 3.26Å; L598-R600 PolarHBondContact O-N 2.99Å; R600-D602 VanDerWaalsContact C-N 3.27Å; R600-D602 PolarHBondContact O-N 3.43Å; R600-L603 CarbonylContact O-C 3.6Å; R600-L603 PolarHBondContact O-N 2.94Å; R600-D604 WeakPolarHBondContact O-CB 3.37Å; R600-D604 PolarHBondContact O-N 2.94Å |
| 601 | R | 72.1 | Confident | 71 | Confident | 158 Ų | 158 | 102.7 Ų | 102.7 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -31.7 | 171.8 | -75 | 166.8 | 176.7 | 158.1 | -0.7 | 112.8 | T597 L598 R605 | T597-R601 WeakPolarHBondContact O-CB 3.46Å; T597-R601 WeakPolarHBondContact O-CD 3.42Å; T597-R601 VanDerWaalsContact O-CG 3.23Å; T597-R601 WeakPolarHBondContact O-CG 3.46Å; T597-R601 PolarHBondContact O-N 3.4Å; L598-R601 CarbonylContact O-C 3.55Å; L598-R601 WeakPolarHBondContact O-CA 3.39Å; L598-R601 WeakPolarHBondContact O-CB 3.34Å; L598-R601 PolarHBondContact O-N 2.93Å; R601-R605 WeakPolarHBondContact O-CB 3.5Å; R601-R605 WeakPolarHBondContact O-CD 3.45Å; R601-R605 VanDerWaalsContact O-CG 3.25Å; R601-R605 WeakPolarHBondContact O-CG 3.4Å; R601-R605 PolarHBondContact O-N 3.38Å |
| 602 | D | 74.6 | Confident | 71.3 | Confident | 54 Ų | 54 | 102.4 Ų | 102.4 | 29% | 0.289 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -79.5 | -31 | 174.5 | -68.6 | -34.7 | 0 | 0 | 0 | 111.9 | L598 R600 R605 H606 | L598-D602 PolarHBondContact O-N 3.39Å; R600-D602 VanDerWaalsContact C-N 3.27Å; R600-D602 PolarHBondContact O-N 3.43Å; D602-R605 WeakPolarHBondContact O-CB 3.22Å; D602-R605 PolarHBondContact O-N 3.19Å; D602-R605 VanDerWaalsContact OD1-CD 3.28Å; D602-R605 WeakPolarHBondContact OD1-CD 3.26Å; D602-R605 IonicContact OD1-CZ 3.95Å; D602-R605 IonicContact OD1-NE 3.69Å; D602-R605 IonicContact OD1-NH1 2.99Å; D602-R605 PolarHBondContact OD1-NH1 3.37Å; D602-H606 WeakPolarHBondContact O-CB 3.45Å; D602-H606 PolarHBondContact O-CD2 3.04Å; D602-H606 VanDerWaalsContact O-CG 3.29Å; D602-H606 PolarHBondContact O-N 2.87Å |
| 603 | L | 73 | Confident | 71 | Confident | 94 Ų | 94 | 103.9 Ų | 103.9 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71 | -34.1 | 168 | -172.1 | 141.6 | 0 | 0 | 0 | 111.7 | L599 R600 H606 Q607 | L599-L603 WeakPolarHBondContact O-CB 3.39Å; L599-L603 PolarHBondContact O-N 3.24Å; R600-L603 CarbonylContact O-C 3.6Å; R600-L603 PolarHBondContact O-N 2.94Å; L603-H606 CarbonylContact O-C 3.58Å; L603-H606 PolarHBondContact O-N 3.08Å; L603-Q607 HydrophobicContact CD2-CG 4.23Å; L603-Q607 WeakPolarHBondContact O-CB 3.37Å; L603-Q607 WeakPolarHBondContact O-CG 3.37Å; L603-Q607 PolarHBondContact O-N 3.29Å |
| 604 | D | 73 | Confident | 70.8 | Confident | 77 Ų | 77 | 101.8 Ų | 101.8 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 170 | -67 | -28.8 | 0 | 0 | 0 | 110.1 | R600 Q607 N608 | R600-D604 WeakPolarHBondContact O-CB 3.37Å; R600-D604 PolarHBondContact O-N 2.94Å; D604-Q607 PolarHBondContact O-N 2.9Å; D604-N608 WeakPolarHBondContact O-CB 3.43Å; D604-N608 PolarHBondContact O-N 2.91Å; D604-N608 PolarHBondContact O-ND2 3.32Å |
| 605 | R | 75.7 | Confident | 70.7 | Confident | 155 Ų | 155 | 101 Ų | 101 | 59% | 0.585 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 169.8 | -78.3 | 161.6 | 168 | 165.8 | -4 | 111.3 | R601 D602 N608 Q609 | R601-R605 WeakPolarHBondContact O-CB 3.5Å; R601-R605 WeakPolarHBondContact O-CD 3.45Å; R601-R605 VanDerWaalsContact O-CG 3.25Å; R601-R605 WeakPolarHBondContact O-CG 3.4Å; R601-R605 PolarHBondContact O-N 3.38Å; D602-R605 WeakPolarHBondContact O-CB 3.22Å; D602-R605 PolarHBondContact O-N 3.19Å; D602-R605 VanDerWaalsContact OD1-CD 3.28Å; D602-R605 WeakPolarHBondContact OD1-CD 3.26Å; D602-R605 IonicContact OD1-CZ 3.95Å; D602-R605 IonicContact OD1-NE 3.69Å; D602-R605 IonicContact OD1-NH1 2.99Å; D602-R605 PolarHBondContact OD1-NH1 3.37Å; R605-N608 CarbonylContact O-C 3.59Å; R605-N608 PolarHBondContact O-N 2.92Å; R605-Q609 WeakPolarHBondContact O-CB 3.29Å; R605-Q609 VanDerWaalsContact O-CG 3.27Å; R605-Q609 WeakPolarHBondContact O-CG 3.43Å; R605-Q609 PolarHBondContact O-N 3.23Å |
| 606 | H | 70.8 | Confident | 70.6 | Confident | 114 Ų | 114 | 102.5 Ų | 102.5 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -29.7 | 175.9 | -72.1 | -43.5 | 0 | 0 | 0 | 112.6 | D602 L603 Q609 T610 | D602-H606 WeakPolarHBondContact O-CB 3.45Å; D602-H606 PolarHBondContact O-CD2 3.04Å; D602-H606 VanDerWaalsContact O-CG 3.29Å; D602-H606 PolarHBondContact O-N 2.87Å; L603-H606 CarbonylContact O-C 3.58Å; L603-H606 PolarHBondContact O-N 3.08Å; H606-Q609 PolarHBondContact ND1-OE1 3.12Å; H606-T610 VanDerWaalsContact O-CB 3.23Å; H606-T610 WeakPolarHBondContact O-CB 3.49Å; H606-T610 PolarHBondContact O-N 3.3Å; H606-T610 PolarHBondContact O-OG1 3.25Å |
| 607 | Q | 70.1 | Confident | 70.4 | Confident | 121 Ų | 121 | 104.3 Ų | 104.3 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.4 | -37.9 | 169.5 | -79.2 | -173.8 | 11.8 | 0 | 0 | 111.5 | L603 D604 T610 G611 | L603-Q607 HydrophobicContact CD2-CG 4.23Å; L603-Q607 WeakPolarHBondContact O-CB 3.37Å; L603-Q607 WeakPolarHBondContact O-CG 3.37Å; L603-Q607 PolarHBondContact O-N 3.29Å; D604-Q607 PolarHBondContact O-N 2.9Å; Q607-T610 CarbonylContact O-C 3.47Å; Q607-T610 PolarHBondContact O-N 3.22Å; Q607-G611 WeakPolarHBondContact O-CA 3.5Å; Q607-G611 PolarHBondContact O-N 3.29Å |
| 608 | N | 71.1 | Confident | 69.8 | Low | 108 Ų | 108 | 103.6 Ų | 103.6 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.8 | -34 | 173.4 | -79.1 | -69.6 | 0 | 0 | 0 | 111.9 | D604 R605 G611 Q612 | D604-N608 WeakPolarHBondContact O-CB 3.43Å; D604-N608 PolarHBondContact O-N 2.91Å; D604-N608 PolarHBondContact O-ND2 3.32Å; R605-N608 CarbonylContact O-C 3.59Å; R605-N608 PolarHBondContact O-N 2.92Å; N608-G611 CarbonylContact O-C 3.45Å; N608-G611 WeakPolarHBondContact O-CA 3.26Å; N608-G611 PolarHBondContact O-N 3.02Å; N608-Q612 WeakPolarHBondContact O-CG 3.32Å; N608-Q612 PolarHBondContact O-N 3.35Å |
| 609 | Q | 71.5 | Confident | 69.3 | Low | 96 Ų | 96 | 102 Ų | 102 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 168.9 | -74.6 | 169.7 | -13.6 | 0 | 0 | 111.1 | R605 H606 G611 Q612 M613 | R605-Q609 WeakPolarHBondContact O-CB 3.29Å; R605-Q609 VanDerWaalsContact O-CG 3.27Å; R605-Q609 WeakPolarHBondContact O-CG 3.43Å; R605-Q609 PolarHBondContact O-N 3.23Å; H606-Q609 PolarHBondContact ND1-OE1 3.12Å; Q609-G611 PolarHBondContact O-N 2.93Å; Q609-Q612 PolarHBondContact O-N 3.11Å; Q609-M613 VanDerWaalsContact O-CB 3.3Å; Q609-M613 WeakPolarHBondContact O-CB 3.47Å; Q609-M613 WeakPolarHBondContact O-CG 3.49Å; Q609-M613 PolarHBondContact O-N 3.12Å |
| 610 | T | 69.4 | Low | 68.7 | Low | 93 Ų | 93 | 99.2 Ų | 99.2 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.2 | -28.1 | 170.9 | -56.3 | 0 | 0 | 0 | 0 | 111 | H606 Q607 S614 | H606-T610 VanDerWaalsContact O-CB 3.23Å; H606-T610 WeakPolarHBondContact O-CB 3.49Å; H606-T610 PolarHBondContact O-N 3.3Å; H606-T610 PolarHBondContact O-OG1 3.25Å; Q607-T610 CarbonylContact O-C 3.47Å; Q607-T610 PolarHBondContact O-N 3.22Å; T610-S614 WeakPolarHBondContact O-CB 3.5Å; T610-S614 PolarHBondContact O-N 3.21Å; T610-S614 PolarHBondContact O-OG 2.69Å |
| 611 | G | 70.5 | Confident | 67.9 | Low | 20 Ų | 20 | 95 Ų | 95 | 21% | 0.206 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -73 | -40.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q607 N608 Q609 S614 Q615 | Q607-G611 WeakPolarHBondContact O-CA 3.5Å; Q607-G611 PolarHBondContact O-N 3.29Å; N608-G611 CarbonylContact O-C 3.45Å; N608-G611 WeakPolarHBondContact O-CA 3.26Å; N608-G611 PolarHBondContact O-N 3.02Å; Q609-G611 PolarHBondContact O-N 2.93Å; G611-S614 WeakPolarHBondContact CA-OG 3.44Å; G611-S614 CarbonylContact O-C 3.37Å; G611-S614 PolarHBondContact O-N 3.18Å; G611-S614 PolarHBondContact O-OG 3.22Å; G611-S614 VanDerWaalsContact O-OG 3.13Å; G611-Q615 WeakPolarHBondContact O-CB 3.49Å; G611-Q615 WeakPolarHBondContact O-CG 3.47Å; G611-Q615 PolarHBondContact O-N 3.09Å |
| 612 | Q | 72.6 | Confident | 67.2 | Low | 116 Ų | 116 | 93.2 Ų | 93.2 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.1 | -47.3 | 171.9 | -75 | 168.3 | -15.1 | 0 | 0 | 110.4 | N608 Q609 S614 Q615 E616 | N608-Q612 WeakPolarHBondContact O-CG 3.32Å; N608-Q612 PolarHBondContact O-N 3.35Å; Q609-Q612 PolarHBondContact O-N 3.11Å; Q612-S614 PolarHBondContact O-N 2.76Å; Q612-Q615 CarbonylContact O-C 3.49Å; Q612-Q615 WeakPolarHBondContact O-CA 3.42Å; Q612-Q615 WeakPolarHBondContact O-CB 3.47Å; Q612-Q615 PolarHBondContact O-N 3.39Å; Q612-Q615 VanDerWaalsContact O-N 3.07Å; Q612-E616 WeakPolarHBondContact O-CG 3.37Å; Q612-E616 PolarHBondContact O-N 2.99Å |
| 613 | M | 63.2 | Low | 66.2 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.2 | -31.3 | 171.2 | -68.9 | -64.3 | -59.1 | 0 | 0 | 112.1 | Q609 L617 | Q609-M613 VanDerWaalsContact O-CB 3.3Å; Q609-M613 WeakPolarHBondContact O-CB 3.47Å; Q609-M613 WeakPolarHBondContact O-CG 3.49Å; Q609-M613 PolarHBondContact O-N 3.12Å; M613-L617 WeakPolarHBondContact O-CB 3.49Å; M613-L617 PolarHBondContact O-N 3.28Å |
| 614 | S | 63.7 | Low | 65 | Low | 59 Ų | 59 | 95.5 Ų | 95.5 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -83.7 | -20.2 | 174 | 76.6 | 0 | 0 | 0 | 0 | 113.6 | T610 G611 Q612 S618 | T610-S614 WeakPolarHBondContact O-CB 3.5Å; T610-S614 PolarHBondContact O-N 3.21Å; T610-S614 PolarHBondContact O-OG 2.69Å; G611-S614 WeakPolarHBondContact CA-OG 3.44Å; G611-S614 CarbonylContact O-C 3.37Å; G611-S614 PolarHBondContact O-N 3.18Å; G611-S614 PolarHBondContact O-OG 3.22Å; G611-S614 VanDerWaalsContact O-OG 3.13Å; Q612-S614 PolarHBondContact O-N 2.76Å; S614-S618 WeakPolarHBondContact O-CA 3.42Å; S614-S618 WeakPolarHBondContact O-CB 3.49Å; S614-S618 PolarHBondContact O-N 2.83Å; S614-S618 PolarHBondContact O-OG 3.34Å |
| 615 | Q | 66.4 | Low | 63.8 | Low | 134 Ų | 134 | 98.2 Ų | 98.2 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -75.1 | -38.4 | 166.2 | -76.4 | 169.1 | 8.8 | 0 | 0 | 111 | G611 Q612 S618 A619 | G611-Q615 WeakPolarHBondContact O-CB 3.49Å; G611-Q615 WeakPolarHBondContact O-CG 3.47Å; G611-Q615 PolarHBondContact O-N 3.09Å; Q612-Q615 CarbonylContact O-C 3.49Å; Q612-Q615 WeakPolarHBondContact O-CA 3.42Å; Q612-Q615 WeakPolarHBondContact O-CB 3.47Å; Q612-Q615 PolarHBondContact O-N 3.39Å; Q612-Q615 VanDerWaalsContact O-N 3.07Å; Q615-S618 WeakPolarHBondContact CA-OG 3.5Å; Q615-S618 PolarHBondContact O-N 3.43Å; Q615-S618 PolarHBondContact O-OG 3.35Å; Q615-A619 VanDerWaalsContact O-CB 3.24Å; Q615-A619 WeakPolarHBondContact O-CB 3.27Å; Q615-A619 PolarHBondContact O-N 2.88Å |
| 616 | E | 68.7 | Low | 62.7 | Low | 128 Ų | 128 | 98 Ų | 98 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.5 | -42.9 | 169.3 | -70.9 | 179 | -172.6 | 0 | 0 | 111.3 | Q612 S618 A619 A620 | Q612-E616 WeakPolarHBondContact O-CG 3.37Å; Q612-E616 PolarHBondContact O-N 2.99Å; E616-S618 VanDerWaalsContact C-N 3.33Å; E616-S618 PolarHBondContact O-N 3.05Å; E616-A619 PolarHBondContact O-N 2.79Å; E616-A620 WeakPolarHBondContact O-CB 3.25Å; E616-A620 PolarHBondContact O-N 3.45Å |
| 617 | L | 62.5 | Low | 61.8 | Low | 111 Ų | 111 | 97.3 Ų | 97.3 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.5 | -27.3 | 174.9 | -165.9 | 109.5 | 0 | 0 | 0 | 112.2 | M613 N621 | M613-L617 WeakPolarHBondContact O-CB 3.49Å; M613-L617 PolarHBondContact O-N 3.28Å; L617-N621 WeakPolarHBondContact O-CB 3.46Å; L617-N621 VanDerWaalsContact O-CG 3.32Å; L617-N621 PolarHBondContact O-N 2.87Å; L617-N621 PolarHBondContact O-ND2 2.88Å |
| 618 | S | 60.8 | Low | 60.5 | Low | 52 Ų | 52 | 96.5 Ų | 96.5 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -85.3 | -29.5 | 173.1 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | S614 Q615 E616 N621 Q622 | S614-S618 WeakPolarHBondContact O-CA 3.42Å; S614-S618 WeakPolarHBondContact O-CB 3.49Å; S614-S618 PolarHBondContact O-N 2.83Å; S614-S618 PolarHBondContact O-OG 3.34Å; Q615-S618 WeakPolarHBondContact CA-OG 3.5Å; Q615-S618 PolarHBondContact O-N 3.43Å; Q615-S618 PolarHBondContact O-OG 3.35Å; E616-S618 VanDerWaalsContact C-N 3.33Å; E616-S618 PolarHBondContact O-N 3.05Å; S618-N621 PolarHBondContact O-N 3.22Å; S618-Q622 VanDerWaalsContact O-CB 3.23Å; S618-Q622 WeakPolarHBondContact O-CB 3.4Å; S618-Q622 WeakPolarHBondContact O-CG 3.35Å; S618-Q622 PolarHBondContact O-N 3.39Å |
| 619 | A | 63.1 | Low | 59.5 | Low | 58 Ų | 58 | 98.9 Ų | 98.9 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q615 E616 Q622 L623 | Q615-A619 VanDerWaalsContact O-CB 3.24Å; Q615-A619 WeakPolarHBondContact O-CB 3.27Å; Q615-A619 PolarHBondContact O-N 2.88Å; E616-A619 PolarHBondContact O-N 2.79Å; A619-Q622 PolarHBondContact O-N 2.9Å; A619-L623 WeakPolarHBondContact O-CB 3.36Å; A619-L623 PolarHBondContact O-N 2.92Å |
| 620 | A | 57.6 | Low | 58.8 | Low | 58 Ų | 58 | 98.7 Ų | 98.7 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | E616 L623 L624 | E616-A620 WeakPolarHBondContact O-CB 3.25Å; E616-A620 PolarHBondContact O-N 3.45Å; A620-L623 WeakPolarHBondContact O-CB 3.47Å; A620-L623 PolarHBondContact O-N 3.41Å; A620-L624 VanDerWaalsContact O-CB 3.31Å; A620-L624 WeakPolarHBondContact O-CB 3.25Å; A620-L624 PolarHBondContact O-N 3.12Å |
| 621 | N | 55.2 | Low | 57.7 | Low | 70 Ų | 70 | 101 Ų | 101 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72 | -24.2 | 174.9 | -83.2 | -62.1 | 0 | 0 | 0 | 113.6 | L617 S618 L624 Q625 | L617-N621 WeakPolarHBondContact O-CB 3.46Å; L617-N621 VanDerWaalsContact O-CG 3.32Å; L617-N621 PolarHBondContact O-N 2.87Å; L617-N621 PolarHBondContact O-ND2 2.88Å; S618-N621 PolarHBondContact O-N 3.22Å; N621-L624 PolarHBondContact O-N 2.95Å; N621-Q625 VanDerWaalsContact O-CB 3.24Å; N621-Q625 WeakPolarHBondContact O-CB 3.42Å; N621-Q625 VanDerWaalsContact O-CG 3.28Å; N621-Q625 WeakPolarHBondContact O-CG 3.19Å; N621-Q625 PolarHBondContact O-N 2.89Å |
| 622 | Q | 56.6 | Low | 57 | Low | 119 Ų | 119 | 103.5 Ų | 103.5 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.5 | -38.8 | 170.4 | -78.8 | 174.3 | 11.6 | 0 | 0 | 110.7 | S618 A619 L624 Q625 Q626 | S618-Q622 VanDerWaalsContact O-CB 3.23Å; S618-Q622 WeakPolarHBondContact O-CB 3.4Å; S618-Q622 WeakPolarHBondContact O-CG 3.35Å; S618-Q622 PolarHBondContact O-N 3.39Å; A619-Q622 PolarHBondContact O-N 2.9Å; Q622-L624 VanDerWaalsContact C-N 3.27Å; Q622-L624 PolarHBondContact O-N 3.4Å; Q622-Q625 PolarHBondContact O-N 3.39Å; Q622-Q626 WeakPolarHBondContact O-CB 3.43Å; Q622-Q626 VanDerWaalsContact O-CG 3.28Å; Q622-Q626 WeakPolarHBondContact O-CG 3.49Å; Q622-Q626 PolarHBondContact O-N 2.85Å |
| 623 | L | 54.1 | Low | 56.3 | Low | 120 Ų | 120 | 105.8 Ų | 105.8 | 63% | 0.628 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.8 | -35.8 | 169.3 | -149.5 | 72.1 | 0 | 0 | 0 | 111.4 | A619 A620 T627 | A619-L623 WeakPolarHBondContact O-CB 3.36Å; A619-L623 PolarHBondContact O-N 2.92Å; A620-L623 WeakPolarHBondContact O-CB 3.47Å; A620-L623 PolarHBondContact O-N 3.41Å; L623-T627 PolarHBondContact O-N 3.49Å; L623-T627 PolarHBondContact O-OG1 3Å |
| 624 | L | 49.3 | Very low | 56.3 | Low | 77 Ų | 77 | 104.7 Ų | 104.7 | 40% | 0.403 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -74.1 | -38.9 | 175 | -158.4 | 71.7 | 0 | 0 | 0 | 112.5 | A620 N621 Q622 T627 Q628 | A620-L624 VanDerWaalsContact O-CB 3.31Å; A620-L624 WeakPolarHBondContact O-CB 3.25Å; A620-L624 PolarHBondContact O-N 3.12Å; N621-L624 PolarHBondContact O-N 2.95Å; Q622-L624 VanDerWaalsContact C-N 3.27Å; Q622-L624 PolarHBondContact O-N 3.4Å; L624-T627 WeakPolarHBondContact CA-OG1 3.47Å; L624-T627 CarbonylContact O-C 3.54Å; L624-T627 PolarHBondContact O-N 3.35Å; L624-T627 VanDerWaalsContact O-N 3.14Å; L624-T627 PolarHBondContact O-OG1 3.46Å; L624-Q628 WeakPolarHBondContact O-CB 3.21Å; L624-Q628 WeakPolarHBondContact O-CG 3.38Å; L624-Q628 PolarHBondContact O-N 2.91Å |
| 625 | Q | 47.6 | Very low | 56.5 | Low | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.621 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71 | -36.4 | 176 | -81.6 | -175.3 | -19.9 | 0 | 0 | 111.8 | N621 Q622 T627 Q628 Q629 | N621-Q625 VanDerWaalsContact O-CB 3.24Å; N621-Q625 WeakPolarHBondContact O-CB 3.42Å; N621-Q625 VanDerWaalsContact O-CG 3.28Å; N621-Q625 WeakPolarHBondContact O-CG 3.19Å; N621-Q625 PolarHBondContact O-N 2.89Å; Q622-Q625 PolarHBondContact O-N 3.39Å; Q625-T627 PolarHBondContact O-N 2.83Å; Q625-Q628 PolarHBondContact O-N 2.65Å; Q625-Q629 WeakPolarHBondContact O-CG 3.23Å; Q625-Q629 PolarHBondContact O-N 2.75Å |
| 626 | Q | 52.5 | Low | 56.4 | Low | 151 Ų | 151 | 104 Ų | 104 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -22.2 | 169.2 | -75.1 | 178.9 | 2.4 | 0 | 0 | 112.5 | Q622 | Q622-Q626 WeakPolarHBondContact O-CB 3.43Å; Q622-Q626 VanDerWaalsContact O-CG 3.28Å; Q622-Q626 WeakPolarHBondContact O-CG 3.49Å; Q622-Q626 PolarHBondContact O-N 2.85Å |
| 627 | T | 52.4 | Low | 56.4 | Low | 100 Ų | 100 | 100.5 Ų | 100.5 | 61% | 0.613 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -102.2 | -3.4 | 176.2 | 49.4 | 0 | 0 | 0 | 0 | 114.8 | L623 L624 Q625 | L623-T627 PolarHBondContact O-N 3.49Å; L623-T627 PolarHBondContact O-OG1 3Å; L624-T627 WeakPolarHBondContact CA-OG1 3.47Å; L624-T627 CarbonylContact O-C 3.54Å; L624-T627 PolarHBondContact O-N 3.35Å; L624-T627 VanDerWaalsContact O-N 3.14Å; L624-T627 PolarHBondContact O-OG1 3.46Å; Q625-T627 PolarHBondContact O-N 2.83Å |
| 628 | Q | 42.8 | Very low | 56.7 | Low | 103 Ų | 103 | 98.7 Ų | 98.7 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | trans | -135.1 | 35.9 | -177.2 | -61 | -165.6 | 15.4 | 0 | 0 | 115.2 | L624 Q625 | L624-Q628 WeakPolarHBondContact O-CB 3.21Å; L624-Q628 WeakPolarHBondContact O-CG 3.38Å; L624-Q628 PolarHBondContact O-N 2.91Å; Q625-Q628 PolarHBondContact O-N 2.65Å | ||
| 629 | Q | 49.3 | Very low | 57.2 | Low | 159 Ų | 159 | 103.6 Ų | 103.6 | 74% | 0.743 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -4.2 | 172.3 | -63.5 | -148.5 | -28 | 0 | 0 | 118.6 | Q625 | Q625-Q629 WeakPolarHBondContact O-CG 3.23Å; Q625-Q629 PolarHBondContact O-N 2.75Å |
| 630 | P | 57.3 | Low | 57.6 | Low | 92 Ų | 92 | 107.6 Ų | 107.6 | 60% | 0.597 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -28.3 | 172.8 | -20.6 | 34.4 | 0 | 0 | 0 | 115.7 | ||
| 631 | Y | 46.5 | Very low | 58.4 | Low | 140 Ų | 140 | 111.7 Ų | 111.7 | 55% | 0.549 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -87.8 | -22.9 | -159 | -74.6 | -74.7 | 0 | 0 | 0 | 115.9 | L634 I635 | Y631-L634 HydrophobicContact CD1-CD2 4.03Å; Y631-L634 HydrophobicContact CE1-CD2 4.31Å; Y631-L634 WeakPolarHBondContact O-CB 3.21Å; Y631-L634 PolarHBondContact O-N 3.06Å; Y631-I635 WeakPolarHBondContact O-CG1 3.21Å; Y631-I635 PolarHBondContact O-N 2.94Å |
| 632 | S | 54.9 | Low | 59.4 | Low | 73 Ų | 73 | 112 Ų | 112 | 51% | 0.51 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65 | -44.6 | 175.9 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | L634 I635 D636 | S632-L634 PolarHBondContact O-N 3.22Å; S632-I635 PolarHBondContact O-N 3.49Å; S632-D636 PolarHBondContact O-N 3.24Å; S632-D636 VanDerWaalsContact O-N 3.08Å |
| 633 | F | 58.8 | Low | 60.3 | Low | 164 Ų | 164 | 108.6 Ų | 108.6 | 72% | 0.719 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.5 | -29.2 | 174.8 | -126.9 | -83.8 | 0 | 0 | 0 | 112.5 | T637 | F633-T637 HydrophobicContact CD1-CG2 4.49Å; F633-T637 WeakPolarHBondContact O-CB 3.44Å; F633-T637 WeakPolarHBondContact O-CG2 3.42Å; F633-T637 PolarHBondContact O-N 2.72Å; F633-T637 VanDerWaalsContact O-N 3.12Å; F633-T637 PolarHBondContact O-OG1 3.15Å |
| 634 | L | 62.8 | Low | 61.4 | Low | 98 Ų | 98 | 105.3 Ų | 105.3 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.1 | -37.7 | 173.1 | -163.8 | 70.9 | 0 | 0 | 0 | 112 | Y631 S632 T637 V638 | Y631-L634 HydrophobicContact CD1-CD2 4.03Å; Y631-L634 HydrophobicContact CE1-CD2 4.31Å; Y631-L634 WeakPolarHBondContact O-CB 3.21Å; Y631-L634 PolarHBondContact O-N 3.06Å; S632-L634 PolarHBondContact O-N 3.22Å; L634-T637 WeakPolarHBondContact CA-OG1 3.32Å; L634-T637 PolarHBondContact O-OG1 2.75Å; L634-V638 WeakPolarHBondContact O-CB 3.14Å; L634-V638 VanDerWaalsContact O-CG2 3.23Å; L634-V638 WeakPolarHBondContact O-CG2 3.46Å; L634-V638 PolarHBondContact O-N 3.15Å |
| 635 | I | 66.5 | Low | 62.8 | Low | 96 Ų | 96 | 105 Ų | 105 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 177.8 | -70.2 | 165.1 | 0 | 0 | 0 | 111.3 | Y631 S632 V638 R639 | Y631-I635 WeakPolarHBondContact O-CG1 3.21Å; Y631-I635 PolarHBondContact O-N 2.94Å; S632-I635 PolarHBondContact O-N 3.49Å; I635-V638 PolarHBondContact O-N 3.25Å; I635-R639 WeakPolarHBondContact O-CG 3.3Å; I635-R639 PolarHBondContact O-N 2.95Å |
| 636 | D | 64.6 | Low | 64.3 | Low | 83 Ų | 83 | 105.4 Ų | 105.4 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.9 | -33.6 | -179.6 | -67.7 | -39.4 | 0 | 0 | 0 | 112.3 | S632 V638 R639 E640 | S632-D636 PolarHBondContact O-N 3.24Å; S632-D636 VanDerWaalsContact O-N 3.08Å; D636-V638 VanDerWaalsContact C-N 3.34Å; D636-V638 PolarHBondContact O-N 3.22Å; D636-R639 WeakPolarHBondContact O-CB 3.31Å; D636-R639 PolarHBondContact O-N 3.36Å; D636-R639 VanDerWaalsContact O-N 3.17Å; D636-R639 WeakPolarHBondContact OD1-CD 3.48Å; D636-R639 IonicContact OD1-CZ 2.67Å; D636-R639 IonicContact OD1-NH1 2.77Å; D636-R639 PolarHBondContact OD1-NH1 3.09Å; D636-E640 PolarHBondContact O-N 3.3Å |
| 637 | T | 69.6 | Low | 65.4 | Low | 53 Ų | 53 | 100.8 Ų | 100.8 | 33% | 0.325 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -31.6 | 168 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | F633 L634 E640 K641 | F633-T637 HydrophobicContact CD1-CG2 4.49Å; F633-T637 WeakPolarHBondContact O-CB 3.44Å; F633-T637 WeakPolarHBondContact O-CG2 3.42Å; F633-T637 PolarHBondContact O-N 2.72Å; F633-T637 VanDerWaalsContact O-N 3.12Å; F633-T637 PolarHBondContact O-OG1 3.15Å; L634-T637 WeakPolarHBondContact CA-OG1 3.32Å; L634-T637 PolarHBondContact O-OG1 2.75Å; T637-E640 PolarHBondContact O-N 3.01Å; T637-K641 VanDerWaalsContact O-CG 3.28Å; T637-K641 WeakPolarHBondContact O-CG 3.3Å; T637-K641 PolarHBondContact O-N 2.95Å |
| 638 | V | 68.6 | Low | 66.6 | Low | 73 Ų | 73 | 101.3 Ų | 101.3 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 168.8 | 163.5 | 0 | 0 | 0 | 0 | 111.3 | L634 I635 D636 E640 K641 D642 | L634-V638 WeakPolarHBondContact O-CB 3.14Å; L634-V638 VanDerWaalsContact O-CG2 3.23Å; L634-V638 WeakPolarHBondContact O-CG2 3.46Å; L634-V638 PolarHBondContact O-N 3.15Å; I635-V638 PolarHBondContact O-N 3.25Å; D636-V638 VanDerWaalsContact C-N 3.34Å; D636-V638 PolarHBondContact O-N 3.22Å; V638-E640 PolarHBondContact O-N 3.4Å; V638-K641 CarbonylContact O-C 3.52Å; V638-K641 WeakPolarHBondContact O-CA 3.23Å; V638-K641 WeakPolarHBondContact O-CB 3.33Å; V638-K641 PolarHBondContact O-N 3.15Å; V638-K641 VanDerWaalsContact O-N 3.12Å; V638-D642 PolarHBondContact O-N 3.4Å |
| 639 | R | 70.9 | Confident | 68.3 | Low | 156 Ų | 156 | 104.7 Ų | 104.7 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.7 | -37 | 176.1 | -73.5 | 164.5 | 165.1 | 173.1 | -6.9 | 113.2 | I635 D636 D642 A643 | I635-R639 WeakPolarHBondContact O-CG 3.3Å; I635-R639 PolarHBondContact O-N 2.95Å; D636-R639 WeakPolarHBondContact O-CB 3.31Å; D636-R639 PolarHBondContact O-N 3.36Å; D636-R639 VanDerWaalsContact O-N 3.17Å; D636-R639 WeakPolarHBondContact OD1-CD 3.48Å; D636-R639 IonicContact OD1-CZ 2.67Å; D636-R639 IonicContact OD1-NH1 2.77Å; D636-R639 PolarHBondContact OD1-NH1 3.09Å; R639-D642 PolarHBondContact O-N 3.26Å; R639-A643 PolarHBondContact O-N 3.31Å |
| 640 | E | 72.9 | Confident | 69.7 | Low | 142 Ų | 142 | 103.5 Ų | 103.5 | 66% | 0.664 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.8 | -40.1 | 170.1 | -68.9 | -172.4 | 147.6 | 0 | 0 | 111.8 | D636 T637 V638 D642 A643 A644 | D636-E640 PolarHBondContact O-N 3.3Å; T637-E640 PolarHBondContact O-N 3.01Å; V638-E640 PolarHBondContact O-N 3.4Å; E640-D642 VanDerWaalsContact C-N 3.35Å; E640-D642 PolarHBondContact O-N 3.09Å; E640-A643 WeakPolarHBondContact O-CB 3.42Å; E640-A643 PolarHBondContact O-N 2.97Å; E640-A644 PolarHBondContact O-N 2.81Å |
| 641 | K | 73.7 | Confident | 70.8 | Confident | 143 Ų | 143 | 107.6 Ų | 107.6 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -38.8 | 172.7 | -65.6 | -70.1 | 178.2 | -176.6 | 0 | 111.9 | T637 V638 A643 A644 I645 | T637-K641 VanDerWaalsContact O-CG 3.28Å; T637-K641 WeakPolarHBondContact O-CG 3.3Å; T637-K641 PolarHBondContact O-N 2.95Å; V638-K641 CarbonylContact O-C 3.52Å; V638-K641 WeakPolarHBondContact O-CA 3.23Å; V638-K641 WeakPolarHBondContact O-CB 3.33Å; V638-K641 PolarHBondContact O-N 3.15Å; V638-K641 VanDerWaalsContact O-N 3.12Å; K641-A643 VanDerWaalsContact C-N 3.3Å; K641-A643 PolarHBondContact O-N 3.18Å; K641-A644 CarbonylContact O-C 3.58Å; K641-A644 PolarHBondContact O-N 3.43Å; K641-I645 WeakPolarHBondContact O-CB 3.4Å; K641-I645 VanDerWaalsContact O-CG1 3.24Å; K641-I645 WeakPolarHBondContact O-CG1 3.49Å; K641-I645 PolarHBondContact O-N 3.38Å |
| 642 | D | 76.6 | Confident | 72.4 | Confident | 78 Ų | 78 | 104.6 Ų | 104.6 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.7 | -24.1 | 175.6 | -78.3 | -30.8 | 0 | 0 | 0 | 113.4 | V638 R639 E640 R646 | V638-D642 PolarHBondContact O-N 3.4Å; R639-D642 PolarHBondContact O-N 3.26Å; E640-D642 VanDerWaalsContact C-N 3.35Å; E640-D642 PolarHBondContact O-N 3.09Å; D642-R646 PolarHBondContact O-N 3.27Å; D642-R646 PolarHBondContact O-NE 3.36Å |
| 643 | A | 75.6 | Confident | 73.5 | Confident | 47 Ų | 47 | 103.5 Ų | 103.5 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72 | -46.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111 | R639 E640 K641 I645 R646 A647 | R639-A643 PolarHBondContact O-N 3.31Å; E640-A643 WeakPolarHBondContact O-CB 3.42Å; E640-A643 PolarHBondContact O-N 2.97Å; K641-A643 VanDerWaalsContact C-N 3.3Å; K641-A643 PolarHBondContact O-N 3.18Å; A643-I645 VanDerWaalsContact C-N 3.33Å; A643-I645 PolarHBondContact O-N 2.75Å; A643-R646 PolarHBondContact O-N 2.84Å; A643-R646 VanDerWaalsContact O-N 3.12Å; A643-A647 PolarHBondContact O-N 3.34Å |
| 644 | A | 76.4 | Confident | 74.4 | Confident | 50 Ų | 50 | 98.3 Ų | 98.3 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E640 K641 R646 A647 L648 | E640-A644 PolarHBondContact O-N 2.81Å; K641-A644 CarbonylContact O-C 3.58Å; K641-A644 PolarHBondContact O-N 3.43Å; A644-R646 VanDerWaalsContact C-N 3.31Å; A644-R646 PolarHBondContact O-N 3.3Å; A644-A647 PolarHBondContact O-N 3.45Å; A644-L648 WeakPolarHBondContact O-CB 3.38Å; A644-L648 WeakPolarHBondContact O-CG 3.25Å; A644-L648 PolarHBondContact O-N 2.78Å |
| 645 | I | 78.6 | Confident | 75.2 | Confident | 70 Ų | 70 | 98.4 Ų | 98.4 | 36% | 0.359 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -33.9 | 174.5 | -72.5 | 163.3 | 0 | 0 | 0 | 111.2 | K641 A643 L648 R649 | K641-I645 WeakPolarHBondContact O-CB 3.4Å; K641-I645 VanDerWaalsContact O-CG1 3.24Å; K641-I645 WeakPolarHBondContact O-CG1 3.49Å; K641-I645 PolarHBondContact O-N 3.38Å; A643-I645 VanDerWaalsContact C-N 3.33Å; A643-I645 PolarHBondContact O-N 2.75Å; I645-L648 PolarHBondContact O-N 3.47Å; I645-R649 VanDerWaalsContact O-CG 3.32Å; I645-R649 WeakPolarHBondContact O-CG 3.19Å; I645-R649 PolarHBondContact O-N 3.4Å |
| 646 | R | 79.2 | Confident | 75.8 | Confident | 142 Ų | 142 | 99.9 Ų | 99.9 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.7 | -46 | 173.3 | -80.7 | 173.5 | -74.9 | 156.8 | -3.4 | 112.1 | D642 A643 A644 L648 R649 E650 | D642-R646 PolarHBondContact O-N 3.27Å; D642-R646 PolarHBondContact O-NE 3.36Å; A643-R646 PolarHBondContact O-N 2.84Å; A643-R646 VanDerWaalsContact O-N 3.12Å; A644-R646 VanDerWaalsContact C-N 3.31Å; A644-R646 PolarHBondContact O-N 3.3Å; R646-L648 PolarHBondContact O-N 3.26Å; R646-R649 CarbonylContact O-C 3.54Å; R646-R649 WeakPolarHBondContact O-CA 3.45Å; R646-R649 WeakPolarHBondContact O-CB 3.45Å; R646-R649 PolarHBondContact O-N 3.42Å; R646-E650 PolarHBondContact O-N 2.94Å |
| 647 | A | 76 | Confident | 76.4 | Confident | 54 Ų | 54 | 100.9 Ų | 100.9 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -33.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | A643 A644 R651 | A643-A647 PolarHBondContact O-N 3.34Å; A644-A647 PolarHBondContact O-N 3.45Å; A647-R651 WeakPolarHBondContact O-CB 3.47Å; A647-R651 PolarHBondContact O-N 3.06Å |
| 648 | L | 77.5 | Confident | 76.8 | Confident | 112 Ų | 112 | 102.6 Ų | 102.6 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.2 | -33.5 | 171.8 | -74.7 | 169 | 0 | 0 | 0 | 112.8 | A644 I645 R646 R651 V652 | A644-L648 WeakPolarHBondContact O-CB 3.38Å; A644-L648 WeakPolarHBondContact O-CG 3.25Å; A644-L648 PolarHBondContact O-N 2.78Å; I645-L648 PolarHBondContact O-N 3.47Å; R646-L648 PolarHBondContact O-N 3.26Å; L648-R651 CarbonylContact O-C 3.48Å; L648-R651 PolarHBondContact O-N 2.97Å; L648-V652 WeakPolarHBondContact O-CG2 3.2Å; L648-V652 PolarHBondContact O-N 2.99Å |
| 649 | R | 78.9 | Confident | 77.3 | Confident | 174 Ų | 174 | 102.6 Ų | 102.6 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69 | -38.9 | 172.5 | -76.1 | 173.2 | -176.2 | -179.2 | 3.4 | 112.2 | I645 R646 R651 V652 S653 | I645-R649 VanDerWaalsContact O-CG 3.32Å; I645-R649 WeakPolarHBondContact O-CG 3.19Å; I645-R649 PolarHBondContact O-N 3.4Å; R646-R649 CarbonylContact O-C 3.54Å; R646-R649 WeakPolarHBondContact O-CA 3.45Å; R646-R649 WeakPolarHBondContact O-CB 3.45Å; R646-R649 PolarHBondContact O-N 3.42Å; R649-R651 VanDerWaalsContact C-N 3.26Å; R649-R651 PolarHBondContact O-N 2.83Å; R649-V652 CarbonylContact O-C 3.5Å; R649-V652 WeakPolarHBondContact O-CA 3.4Å; R649-V652 WeakPolarHBondContact O-CB 3.34Å; R649-V652 PolarHBondContact O-N 3.4Å; R649-V652 VanDerWaalsContact O-N 3.13Å; R649-S653 PolarHBondContact O-N 2.84Å; R649-S653 PolarHBondContact O-OG 2.98Å |
| 650 | E | 78.9 | Confident | 77.5 | Confident | 133 Ų | 133 | 96.8 Ų | 96.8 | 62% | 0.621 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -36.4 | 171.6 | -70.7 | 164.6 | 175.8 | 0 | 0 | 111.2 | R646 S653 S654 | R646-E650 PolarHBondContact O-N 2.94Å; E650-S653 WeakPolarHBondContact CA-OG 3.31Å; E650-S653 PolarHBondContact O-N 2.79Å; E650-S653 PolarHBondContact O-OG 2.78Å; E650-S654 PolarHBondContact O-N 3.16Å |
| 651 | R | 80.1 | Confident | 77.6 | Confident | 178 Ų | 178 | 92.3 Ų | 92.3 | 67% | 0.672 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.7 | -28.2 | 172.7 | -160.6 | 166.6 | -173 | 128.6 | 2.3 | 113.5 | A647 L648 R649 S654 L655 | A647-R651 WeakPolarHBondContact O-CB 3.47Å; A647-R651 PolarHBondContact O-N 3.06Å; L648-R651 CarbonylContact O-C 3.48Å; L648-R651 PolarHBondContact O-N 2.97Å; R649-R651 VanDerWaalsContact C-N 3.26Å; R649-R651 PolarHBondContact O-N 2.83Å; R651-S654 WeakPolarHBondContact CA-OG 3.18Å; R651-S654 PolarHBondContact O-OG 3.4Å; R651-L655 WeakPolarHBondContact O-CG 3.41Å; R651-L655 PolarHBondContact O-N 3.35Å |
| 652 | V | 80 | Confident | 77.7 | Confident | 77 Ų | 77 | 90.2 Ų | 90.2 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.8 | -43.4 | 167.6 | 167.9 | 0 | 0 | 0 | 0 | 110.2 | L648 R649 S654 L655 E656 | L648-V652 WeakPolarHBondContact O-CG2 3.2Å; L648-V652 PolarHBondContact O-N 2.99Å; R649-V652 CarbonylContact O-C 3.5Å; R649-V652 WeakPolarHBondContact O-CA 3.4Å; R649-V652 WeakPolarHBondContact O-CB 3.34Å; R649-V652 PolarHBondContact O-N 3.4Å; R649-V652 VanDerWaalsContact O-N 3.13Å; V652-S654 VanDerWaalsContact C-N 3.3Å; V652-S654 PolarHBondContact O-N 2.89Å; V652-L655 CarbonylContact O-C 3.54Å; V652-L655 WeakPolarHBondContact O-CA 3.35Å; V652-L655 WeakPolarHBondContact O-CB 3.07Å; V652-L655 PolarHBondContact O-N 3.1Å; V652-E656 HydrophobicContact CG1-CG 4.4Å; V652-E656 WeakPolarHBondContact O-CG 3.41Å; V652-E656 PolarHBondContact O-N 3.39Å |
| 653 | S | 78.3 | Confident | 77.5 | Confident | 51 Ų | 51 | 94.9 Ų | 94.9 | 36% | 0.357 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -35 | 175 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | R649 E650 L655 E656 D657 | R649-S653 PolarHBondContact O-N 2.84Å; R649-S653 PolarHBondContact O-OG 2.98Å; E650-S653 WeakPolarHBondContact CA-OG 3.31Å; E650-S653 PolarHBondContact O-N 2.79Å; E650-S653 PolarHBondContact O-OG 2.78Å; S653-L655 VanDerWaalsContact C-N 3.27Å; S653-L655 PolarHBondContact O-N 3.12Å; S653-E656 CarbonylContact O-C 3.5Å; S653-E656 WeakPolarHBondContact O-CA 3.5Å; S653-E656 WeakPolarHBondContact O-CB 3.38Å; S653-E656 PolarHBondContact O-N 2.91Å; S653-E656 VanDerWaalsContact O-N 3.1Å; S653-D657 PolarHBondContact O-N 3.2Å |
| 654 | S | 77.8 | Confident | 77.5 | Confident | 55 Ų | 55 | 99 Ų | 99 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -28.5 | 171 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | E650 R651 V652 D657 D658 | E650-S654 PolarHBondContact O-N 3.16Å; R651-S654 WeakPolarHBondContact CA-OG 3.18Å; R651-S654 PolarHBondContact O-OG 3.4Å; V652-S654 VanDerWaalsContact C-N 3.3Å; V652-S654 PolarHBondContact O-N 2.89Å; S654-D657 WeakPolarHBondContact O-CB 3.48Å; S654-D657 PolarHBondContact O-N 3.34Å; S654-D658 PolarHBondContact O-N 2.63Å |
| 655 | L | 78 | Confident | 77.5 | Confident | 99 Ų | 99 | 102.9 Ų | 102.9 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -78.7 | -25.3 | 171.7 | -70.3 | 164.8 | 0 | 0 | 0 | 112 | R651 V652 S653 D658 V659 | R651-L655 WeakPolarHBondContact O-CG 3.41Å; R651-L655 PolarHBondContact O-N 3.35Å; V652-L655 CarbonylContact O-C 3.54Å; V652-L655 WeakPolarHBondContact O-CA 3.35Å; V652-L655 WeakPolarHBondContact O-CB 3.07Å; V652-L655 PolarHBondContact O-N 3.1Å; S653-L655 VanDerWaalsContact C-N 3.27Å; S653-L655 PolarHBondContact O-N 3.12Å; L655-D658 PolarHBondContact O-N 3.21Å; L655-V659 WeakPolarHBondContact O-CG2 3.23Å; L655-V659 PolarHBondContact O-N 3.4Å |
| 656 | E | 78.9 | Confident | 77.5 | Confident | 127 Ų | 127 | 106.7 Ų | 106.7 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.9 | -31.2 | 168.4 | -66.9 | 176 | 144.9 | 0 | 0 | 111.3 | V652 S653 V659 S660 | V652-E656 HydrophobicContact CG1-CG 4.4Å; V652-E656 WeakPolarHBondContact O-CG 3.41Å; V652-E656 PolarHBondContact O-N 3.39Å; S653-E656 CarbonylContact O-C 3.5Å; S653-E656 WeakPolarHBondContact O-CA 3.5Å; S653-E656 WeakPolarHBondContact O-CB 3.38Å; S653-E656 PolarHBondContact O-N 2.91Å; S653-E656 VanDerWaalsContact O-N 3.1Å; E656-V659 CarbonylContact O-C 3.5Å; E656-V659 PolarHBondContact O-N 2.74Å; E656-S660 PolarHBondContact O-N 2.81Å |
| 657 | D | 77.8 | Confident | 76.9 | Confident | 105 Ų | 105 | 104 Ų | 104 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.1 | -36.2 | 166.9 | -75.5 | -41.6 | 0 | 0 | 0 | 112 | S653 S654 S660 S661 | S653-D657 PolarHBondContact O-N 3.2Å; S654-D657 WeakPolarHBondContact O-CB 3.48Å; S654-D657 PolarHBondContact O-N 3.34Å; D657-S660 CarbonylContact O-C 3.6Å; D657-S660 WeakPolarHBondContact O-CA 3.1Å; D657-S660 WeakPolarHBondContact O-CB 3.14Å; D657-S660 PolarHBondContact O-N 2.81Å; D657-S660 PolarHBondContact O-OG 3.21Å; D657-S661 PolarHBondContact O-N 2.89Å |
| 658 | D | 78.8 | Confident | 76.6 | Confident | 88 Ų | 88 | 103.8 Ų | 103.8 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 168.1 | -76.5 | -33.7 | 0 | 0 | 0 | 112 | S654 L655 S660 S661 L662 | S654-D658 PolarHBondContact O-N 2.63Å; L655-D658 PolarHBondContact O-N 3.21Å; D658-S660 PolarHBondContact O-N 2.92Å; D658-S661 PolarHBondContact O-N 3.02Å; D658-S661 VanDerWaalsContact O-N 3.08Å; D658-S661 PolarHBondContact O-OG 2.82Å; D658-L662 WeakPolarHBondContact O-CG 3.1Å; D658-L662 PolarHBondContact O-N 3.38Å |
| 659 | V | 77.6 | Confident | 76.4 | Confident | 73 Ų | 73 | 104.1 Ų | 104.1 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -28.8 | 168.5 | 171.3 | 0 | 0 | 0 | 0 | 111 | L655 E656 R663 | L655-V659 WeakPolarHBondContact O-CG2 3.23Å; L655-V659 PolarHBondContact O-N 3.4Å; E656-V659 CarbonylContact O-C 3.5Å; E656-V659 PolarHBondContact O-N 2.74Å; V659-R663 WeakPolarHBondContact O-CB 3.23Å; V659-R663 WeakPolarHBondContact O-CD 3.06Å; V659-R663 WeakPolarHBondContact O-CG 3.43Å; V659-R663 PolarHBondContact O-N 2.83Å |
| 660 | S | 75.1 | Confident | 75.4 | Confident | 34 Ų | 34 | 100 Ų | 100 | 24% | 0.238 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -70 | -32.3 | 170.4 | 102.1 | 0 | 0 | 0 | 0 | 112.7 | E656 D657 D658 K664 | E656-S660 PolarHBondContact O-N 2.81Å; D657-S660 CarbonylContact O-C 3.6Å; D657-S660 WeakPolarHBondContact O-CA 3.1Å; D657-S660 WeakPolarHBondContact O-CB 3.14Å; D657-S660 PolarHBondContact O-N 2.81Å; D657-S660 PolarHBondContact O-OG 3.21Å; D658-S660 PolarHBondContact O-N 2.92Å; S660-K664 WeakPolarHBondContact O-CG 3.28Å; S660-K664 PolarHBondContact O-N 3.16Å |
| 661 | S | 75.3 | Confident | 74.9 | Confident | 49 Ų | 49 | 100 Ų | 100 | 34% | 0.343 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.4 | -42.7 | 177.6 | 79 | 0 | 0 | 0 | 0 | 111.2 | D657 D658 R663 K664 E665 | D657-S661 PolarHBondContact O-N 2.89Å; D658-S661 PolarHBondContact O-N 3.02Å; D658-S661 VanDerWaalsContact O-N 3.08Å; D658-S661 PolarHBondContact O-OG 2.82Å; S661-R663 VanDerWaalsContact C-N 3.26Å; S661-R663 PolarHBondContact O-N 3.43Å; S661-K664 WeakPolarHBondContact O-CA 3.35Å; S661-K664 VanDerWaalsContact O-CB 3.27Å; S661-K664 WeakPolarHBondContact O-CB 3.26Å; S661-K664 PolarHBondContact O-N 3.24Å; S661-E665 PolarHBondContact O-N 2.85Å; S661-E665 VanDerWaalsContact O-N 3.11Å |
| 662 | L | 76.5 | Confident | 74.5 | Confident | 99 Ų | 99 | 95.8 Ų | 95.8 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -30.9 | 170.3 | -67.3 | 170.8 | 0 | 0 | 0 | 112.4 | D658 K664 E665 R666 | D658-L662 WeakPolarHBondContact O-CG 3.1Å; D658-L662 PolarHBondContact O-N 3.38Å; L662-K664 VanDerWaalsContact C-N 3.29Å; L662-K664 PolarHBondContact O-N 2.9Å; L662-E665 PolarHBondContact O-N 2.7Å; L662-R666 WeakPolarHBondContact O-CB 3.23Å; L662-R666 PolarHBondContact O-N 3.47Å |
| 663 | R | 72.1 | Confident | 74.4 | Confident | 175 Ų | 175 | 99.4 Ų | 99.4 | 66% | 0.66 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -29.1 | 168.4 | -80.6 | 169.3 | 177 | -179.7 | 1.3 | 112.9 | V659 S661 N667 | V659-R663 WeakPolarHBondContact O-CB 3.23Å; V659-R663 WeakPolarHBondContact O-CD 3.06Å; V659-R663 WeakPolarHBondContact O-CG 3.43Å; V659-R663 PolarHBondContact O-N 2.83Å; S661-R663 VanDerWaalsContact C-N 3.26Å; S661-R663 PolarHBondContact O-N 3.43Å; R663-N667 PolarHBondContact O-N 3.01Å; R663-N667 PolarHBondContact O-ND2 3.09Å |
| 664 | K | 75.3 | Confident | 73.8 | Confident | 133 Ų | 133 | 101.6 Ų | 101.6 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.7 | -41.6 | 172.9 | -63.2 | 161.2 | -167.4 | 160 | 0 | 110.6 | S660 S661 L662 R666 N667 A668 | S660-K664 WeakPolarHBondContact O-CG 3.28Å; S660-K664 PolarHBondContact O-N 3.16Å; S661-K664 WeakPolarHBondContact O-CA 3.35Å; S661-K664 VanDerWaalsContact O-CB 3.27Å; S661-K664 WeakPolarHBondContact O-CB 3.26Å; S661-K664 PolarHBondContact O-N 3.24Å; L662-K664 VanDerWaalsContact C-N 3.29Å; L662-K664 PolarHBondContact O-N 2.9Å; K664-R666 PolarHBondContact O-N 3.01Å; K664-N667 WeakPolarHBondContact O-CB 3.28Å; K664-N667 PolarHBondContact O-N 2.67Å; K664-N667 VanDerWaalsContact O-N 3.08Å; K664-A668 PolarHBondContact O-N 3.38Å |
| 665 | E | 76.8 | Confident | 73.1 | Confident | 132 Ų | 132 | 104.2 Ų | 104.2 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.2 | -44.1 | 172.3 | -63.9 | -166.3 | 148.5 | 0 | 0 | 112.4 | S661 L662 N667 A668 L669 | S661-E665 PolarHBondContact O-N 2.85Å; S661-E665 VanDerWaalsContact O-N 3.11Å; L662-E665 PolarHBondContact O-N 2.7Å; E665-N667 PolarHBondContact O-N 3.41Å; E665-N667 VanDerWaalsContact O-N 3.13Å; E665-A668 WeakPolarHBondContact O-CB 2.97Å; E665-A668 PolarHBondContact O-N 3.23Å; E665-L669 PolarHBondContact O-N 3.34Å |
| 666 | R | 79.7 | Confident | 72.3 | Confident | 151 Ų | 151 | 105.7 Ų | 105.7 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.4 | -13.4 | 175.7 | -155.8 | -129.7 | 67.4 | 175.9 | -4.1 | 113.4 | L662 K664 | L662-R666 WeakPolarHBondContact O-CB 3.23Å; L662-R666 PolarHBondContact O-N 3.47Å; K664-R666 PolarHBondContact O-N 3.01Å |
| 667 | N | 65.3 | Low | 71 | Confident | 84 Ų | 84 | 102.3 Ų | 102.3 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -89.7 | -17.1 | 170.6 | -72.2 | -13.5 | 0 | 0 | 0 | 112.8 | R663 K664 E665 Q670 | R663-N667 PolarHBondContact O-N 3.01Å; R663-N667 PolarHBondContact O-ND2 3.09Å; K664-N667 WeakPolarHBondContact O-CB 3.28Å; K664-N667 PolarHBondContact O-N 2.67Å; K664-N667 VanDerWaalsContact O-N 3.08Å; E665-N667 PolarHBondContact O-N 3.41Å; E665-N667 VanDerWaalsContact O-N 3.13Å; N667-Q670 WeakPolarHBondContact O-CB 3.45Å; N667-Q670 PolarHBondContact O-N 2.94Å |
| 668 | A | 70.4 | Confident | 70.2 | Confident | 50 Ų | 50 | 99.3 Ų | 99.3 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.7 | -37.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K664 E665 Q670 Q671 | K664-A668 PolarHBondContact O-N 3.38Å; E665-A668 WeakPolarHBondContact O-CB 2.97Å; E665-A668 PolarHBondContact O-N 3.23Å; A668-Q670 PolarHBondContact O-N 3.23Å; A668-Q671 WeakPolarHBondContact O-CB 3.27Å; A668-Q671 PolarHBondContact O-N 3.15Å |
| 669 | L | 72.9 | Confident | 69 | Low | 120 Ų | 120 | 100.2 Ų | 100.2 | 63% | 0.628 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -22 | 171.6 | -72 | 171.3 | 0 | 0 | 0 | 113.5 | E665 Q671 K673 | E665-L669 PolarHBondContact O-N 3.34Å; L669-Q671 PolarHBondContact O-N 3.4Å; L669-K673 PolarHBondContact O-N 3.07Å |
| 670 | Q | 57.9 | Low | 67.8 | Low | 88 Ų | 88 | 103.4 Ų | 103.4 | 41% | 0.411 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.2 | -23.7 | 170.5 | -174.4 | 66 | 56 | 0 | 0 | 112.1 | N667 A668 N674 | N667-Q670 WeakPolarHBondContact O-CB 3.45Å; N667-Q670 PolarHBondContact O-N 2.94Å; A668-Q670 PolarHBondContact O-N 3.23Å; Q670-N674 PolarHBondContact NE2-OD1 2.97Å; Q670-N674 PolarHBondContact O-N 2.97Å; Q670-N674 PolarHBondContact O-OD1 3.41Å |
| 671 | Q | 68.2 | Low | 67.1 | Low | 133 Ų | 133 | 108.7 Ų | 108.7 | 62% | 0.621 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -75.1 | -50.9 | 173.3 | -61.7 | 178.3 | -87.1 | 0 | 0 | 110.8 | A668 L669 K673 N674 D675 | A668-Q671 WeakPolarHBondContact O-CB 3.27Å; A668-Q671 PolarHBondContact O-N 3.15Å; L669-Q671 PolarHBondContact O-N 3.4Å; Q671-K673 PolarHBondContact O-N 3.36Å; Q671-K673 VanDerWaalsContact O-N 3.15Å; Q671-N674 CarbonylContact O-C 3.53Å; Q671-N674 WeakPolarHBondContact O-CA 3.29Å; Q671-N674 WeakPolarHBondContact O-CB 3.35Å; Q671-N674 PolarHBondContact O-N 3.41Å; Q671-D675 PolarHBondContact O-N 2.98Å |
| 672 | V | 71.4 | Confident | 66.3 | Low | 89 Ų | 89 | 115 Ų | 115 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -56.6 | -36.1 | -178.8 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | D675 | V672-D675 WeakPolarHBondContact CA-OD2 3.41Å |
| 673 | K | 78 | Confident | 64.8 | Low | 153 Ų | 153 | 115.8 Ų | 115.8 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.6 | -31.2 | 174.4 | -169.9 | -176.2 | 173.5 | -169.2 | 0 | 112.7 | L669 Q671 M676 | L669-K673 PolarHBondContact O-N 3.07Å; Q671-K673 PolarHBondContact O-N 3.36Å; Q671-K673 VanDerWaalsContact O-N 3.15Å; K673-M676 WeakPolarHBondContact O-CB 3.4Å; K673-M676 PolarHBondContact O-N 3.15Å |
| 674 | N | 65.3 | Low | 63.6 | Low | 96 Ų | 96 | 113.5 Ų | 113.5 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -76 | -26.9 | 176.8 | -73 | 5.9 | 0 | 0 | 0 | 111.9 | Q670 Q671 M676 A677 | Q670-N674 PolarHBondContact NE2-OD1 2.97Å; Q670-N674 PolarHBondContact O-N 2.97Å; Q670-N674 PolarHBondContact O-OD1 3.41Å; Q671-N674 CarbonylContact O-C 3.53Å; Q671-N674 WeakPolarHBondContact O-CA 3.29Å; Q671-N674 WeakPolarHBondContact O-CB 3.35Å; Q671-N674 PolarHBondContact O-N 3.41Å; N674-M676 PolarHBondContact O-N 2.96Å; N674-A677 WeakPolarHBondContact O-CB 3.28Å; N674-A677 PolarHBondContact O-N 2.86Å |
| 675 | D | 63.6 | Low | 62.8 | Low | 110 Ų | 110 | 112.9 Ų | 112.9 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.2 | -35.7 | 170 | -60.1 | -39.2 | 0 | 0 | 0 | 111.1 | Q671 V672 A677 A678 | Q671-D675 PolarHBondContact O-N 2.98Å; V672-D675 WeakPolarHBondContact CA-OD2 3.41Å; D675-A677 PolarHBondContact O-N 3.39Å; D675-A678 WeakPolarHBondContact O-CB 3.3Å; D675-A678 PolarHBondContact O-N 3.31Å |
| 676 | M | 61.3 | Low | 61.4 | Low | 131 Ų | 131 | 112.6 Ų | 112.6 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -7 | 173.7 | -64.4 | -174.7 | 68.4 | 0 | 0 | 114.9 | K673 N674 | K673-M676 WeakPolarHBondContact O-CB 3.4Å; K673-M676 PolarHBondContact O-N 3.15Å; N674-M676 PolarHBondContact O-N 2.96Å |
| 677 | A | 52.8 | Low | 59.5 | Low | 55 Ų | 55 | 112.1 Ų | 112.1 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.8 | -32.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N674 D675 D679 | N674-A677 WeakPolarHBondContact O-CB 3.28Å; N674-A677 PolarHBondContact O-N 2.86Å; D675-A677 PolarHBondContact O-N 3.39Å; A677-D679 PolarHBondContact O-N 2.97Å |
| 678 | A | 60.5 | Low | 58.4 | Low | 43 Ų | 43 | 116.1 Ų | 116.1 | 36% | 0.355 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.8 | -24.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D675 R682 | D675-A678 WeakPolarHBondContact O-CB 3.3Å; D675-A678 PolarHBondContact O-N 3.31Å; A678-R682 WeakPolarHBondContact O-CD 3.48Å; A678-R682 VanDerWaalsContact O-CG 3.22Å; A678-R682 WeakPolarHBondContact O-CG 3.12Å |
| 679 | D | 52.6 | Low | 57.5 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 57% | 0.567 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -85.9 | -42.6 | -171 | -76.7 | -20.4 | 0 | 0 | 0 | 113.8 | A677 | A677-D679 PolarHBondContact O-N 2.97Å |
| 680 | L | 52.3 | Low | 55.9 | Low | 140 Ų | 140 | 118.2 Ų | 118.2 | 73% | 0.733 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.5 | -32.6 | -174.2 | -81.1 | 170.8 | 0 | 0 | 0 | 113.7 | R682 L683 | L680-R682 PolarHBondContact O-N 3.47Å; L680-L683 PolarHBondContact O-N 2.94Å |
| 681 | E | 61.7 | Low | 54.8 | Low | 146 Ų | 146 | 120.5 Ų | 120.5 | 68% | 0.682 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.9 | -21.4 | 172 | -67.1 | -169.5 | 155.7 | 0 | 0 | 112.5 | N685 | E681-N685 PolarHBondContact O-ND2 2.94Å |
| 682 | R | 58.8 | Low | 53.2 | Low | 181 Ų | 181 | 119 Ų | 119 | 68% | 0.683 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -85.8 | -20.2 | 178.4 | -77 | -177.8 | 176.7 | 163.4 | -2.2 | 115.1 | A678 L680 N686 | A678-R682 WeakPolarHBondContact O-CD 3.48Å; A678-R682 VanDerWaalsContact O-CG 3.22Å; A678-R682 WeakPolarHBondContact O-CG 3.12Å; L680-R682 PolarHBondContact O-N 3.47Å; R682-N686 PolarHBondContact O-ND2 3Å |
| 683 | L | 44.7 | Very low | 51 | Low | 116 Ų | 116 | 121.3 Ų | 121.3 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -95.4 | -35.1 | -165.4 | -102 | 171.3 | 0 | 0 | 0 | 115.8 | L680 | L680-L683 PolarHBondContact O-N 2.94Å |
| 684 | L | 45.4 | Very low | 48.7 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 67% | 0.665 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -123 | -4 | -175.2 | -74.8 | 175.4 | 0 | 0 | 0 | 116.6 | N686 K687 E688 | L684-N686 PolarHBondContact O-N 3.23Å; L684-K687 HydrophobicContact CD2-CB 4.07Å; L684-K687 PolarHBondContact O-N 3.08Å; L684-E688 PolarHBondContact O-N 2.8Å |
| 685 | N | 58.7 | Low | 47 | Very low | 120 Ų | 120 | 121 Ų | 121 | 64% | 0.642 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -17.3 | 151.6 | -75.7 | -17.5 | 0 | 0 | 0 | 111.6 | E681 K687 | E681-N685 PolarHBondContact O-ND2 2.94Å; N685-K687 PolarHBondContact O-N 3.44Å |
| 686 | N | 48.6 | Very low | 45.2 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 67% | 0.674 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -4.2 | 167 | -73 | -32.7 | 0 | 0 | 0 | 114.6 | R682 L684 | R682-N686 PolarHBondContact O-ND2 3Å; L684-N686 PolarHBondContact O-N 3.23Å |
| 687 | K | 38.2 | Very low | 43.6 | Very low | 140 Ų | 140 | 122.1 Ų | 122.1 | 61% | 0.609 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.8 | 13 | -177.9 | -118.4 | -173.4 | -178.1 | -167.6 | 0 | 117.6 | L684 N685 S689 | L684-K687 HydrophobicContact CD2-CB 4.07Å; L684-K687 PolarHBondContact O-N 3.08Å; N685-K687 PolarHBondContact O-N 3.44Å; K687-S689 VanDerWaalsContact C-N 3.28Å |
| 688 | E | 43.5 | Very low | 42.5 | Very low | 169 Ų | 169 | 124.4 Ų | 124.4 | 79% | 0.79 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -70.5 | -26.6 | 164.3 | -167.9 | 174.7 | -128.8 | 0 | 0 | 112 | L684 | L684-E688 PolarHBondContact O-N 2.8Š|
| 689 | S | 52 | Low | 41.1 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | trans | -127.3 | 34.8 | -175.3 | -148.9 | 0 | 0 | 0 | 0 | 114.6 | K687 L691 | K687-S689 VanDerWaalsContact C-N 3.28Å; S689-L691 VanDerWaalsContact C-N 3.26Å | ||
| 690 | I | 38.6 | Very low | 40.1 | Very low | 118 Ų | 118 | 131 Ų | 131 | 61% | 0.605 | 70% | 0.703 | S | S | * | * | S | Bend | -91.5 | 79.5 | 126.5 | -64.2 | 175.3 | 0 | 0 | 0 | 103.4 | |||
| 691 | L | 35 | Very low | 38.9 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | 43.4 | 115.2 | 88.8 | -85.1 | 166 | 0 | 0 | 0 | 112.2 | S689 | S689-L691 VanDerWaalsContact C-N 3.26Š| |||
| 692 | S | 34.5 | Very low | 37.4 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | 52.1 | 79.6 | 171.6 | -161.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 693 | D | 25.6 | Very low | 36.3 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | -163.7 | 130.1 | 102.8 | -84 | -19.8 | 0 | 0 | 0 | 108.6 | |||||
| 694 | C | 29.5 | Very low | 36 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | 63.6 | 121.5 | 69.5 | -76.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 695 | V | 28.2 | Very low | 36.2 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | trans | 72.9 | 97.9 | 149.4 | -177.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 696 | C | 27.7 | Very low | 35.1 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | trans | 76.7 | 148.3 | 134.5 | -94.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 697 | M | 26.7 | Very low | 34.4 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | trans | 68 | 107 | 142.4 | -63.9 | -74 | -178.6 | 0 | 0 | 121.7 | ||||
| 698 | C | 28.8 | Very low | 34.9 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 69% | 0.689 | 73% | 0.731 | S | S | * | * | 71.9 | 128.6 | 121 | -66.7 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 699 | T | 31.9 | Very low | 34.7 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | 83 | 127.8 | 134.4 | 50.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 700 | H | 30.7 | Very low | 34 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | 78.1 | 108.5 | 139.8 | -80 | -16.6 | 0 | 0 | 0 | 124.5 | ||||
| 701 | R | 28.9 | Very low | 34 | Very low | 218 Ų | 218 | 130.9 Ų | 130.9 | 82% | 0.823 | 74% | 0.737 | S | S | * | * | 81.5 | 136 | 110.8 | -148.9 | -175.2 | -165.9 | 179.1 | 3.3 | 121.3 | |||||
| 702 | S | 29.4 | Very low | 34.1 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | 73.5 | 154.4 | 155.9 | 16.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 703 | V | 35.7 | Very low | 34.3 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | cis | -167.5 | 131.3 | -20.7 | 127 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 704 | S | 38.8 | Very low | 35.9 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | 51.4 | -176.1 | 157.2 | 81.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 705 | P | 48.9 | Very low | 36.5 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | cis | -140.8 | 154.3 | -9.1 | 31.1 | -7.9 | 0 | 0 | 0 | 120.2 | ||||
| 706 | I | 35.6 | Very low | 37 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 81.2 | 112.7 | 131.2 | -69.3 | 171.5 | 0 | 0 | 0 | 125.3 | ||||
| 707 | Q | 35.2 | Very low | 38 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 62 | 171.3 | 133.5 | -74.5 | -174.9 | -27.7 | 0 | 0 | 124.3 | ||||
| 708 | P | 48.6 | Very low | 39.3 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -142.3 | 160.6 | -27.5 | 33.2 | -12.7 | 0 | 0 | 0 | 119.2 | ||||
| 709 | F | 37.7 | Very low | 39.8 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | 69.7 | 157.2 | 142.7 | -84.1 | -131.9 | 0 | 0 | 0 | 120.5 | ||||
| 710 | A | 38.3 | Very low | 40.2 | Very low | 69 Ų | 69 | 140.1 Ų | 140.1 | 57% | 0.57 | 76% | 0.755 | S | S | * | * | cis | -171.9 | 148.2 | -4.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 711 | L | 38.5 | Very low | 40.7 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 58.9 | 165.9 | 140.4 | -55 | 172 | 0 | 0 | 0 | 119.9 | ||||
| 712 | Q | 37.8 | Very low | 41.4 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | cis | -163.9 | -174.6 | -15.6 | -114.2 | 173.1 | -17.6 | 0 | 0 | 108 | ||||
| 713 | T | 38.3 | Very low | 42.2 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | cis | -156.2 | 167.5 | 4.8 | -4.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 714 | P | 59.3 | Low | 42.6 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | -141.3 | -168.9 | -170 | 47.1 | -30.7 | 0 | 0 | 0 | 118.7 | ||||
| 715 | L | 40.6 | Very low | 42.9 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | trans | 82.6 | 137.9 | 149 | -71.4 | 168.9 | 0 | 0 | 0 | 124.2 | ||||
| 716 | Q | 40.6 | Very low | 42.4 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | trans | 66.3 | 159.8 | 137.5 | -73.1 | 173.3 | -62.5 | 0 | 0 | 120.7 | ||||
| 717 | T | 48.2 | Very low | 43 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | cis | -143.2 | 165.1 | -6.7 | -5.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 718 | L | 52.7 | Low | 43.7 | Very low | 232 Ų | 232 | 138.8 Ų | 138.8 | 100% | 1.215 | 76% | 0.757 | S | S | * | * | -159.9 | 0 | 70.8 | -135.8 | 170.3 | 0 | 0 | 0 | 110.4 |
Retrieved 718 of 718 residues in 267.3 ms
(Link to these results)