| 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 | 49.5 | Very low | 48.5 | Very low | 221 Ų | 221 | 149.7 Ų | 149.7 | 100% | 1.089 | 82% | 0.82 | S | S | * | * | 0 | 51.7 | 0 | -56.2 | -138.2 | -176.3 | 0 | 0 | 107.2 | |||||
| 2 | D | 45.7 | Very low | 48.4 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | 82.4 | 96.7 | 75.4 | -57.4 | -22.3 | 0 | 0 | 0 | 107.8 | |||||
| 3 | T | 46.7 | Very low | 49.1 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | 59.4 | 141.2 | 97.3 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 4 | E | 45.8 | Very low | 48.7 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | cis | -171.6 | 168.6 | -2.8 | -113.6 | -178.6 | 169.6 | 0 | 0 | 105.1 | ||||
| 5 | S | 51.9 | Low | 48.8 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | 79.8 | 120.4 | 151.3 | -162.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 6 | E | 55.3 | Low | 49 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | -173.5 | 115.6 | 99.2 | -152.9 | 170.8 | 173.5 | 0 | 0 | 112.8 | |||||
| 7 | V | 45.5 | Very low | 48.7 | Very low | 118 Ų | 118 | 147.9 Ų | 147.9 | 72% | 0.715 | 82% | 0.818 | S | S | * | * | trans | 42.1 | 118.6 | 137.5 | -168.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 8 | A | 55.9 | Low | 48.6 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -146.2 | 134 | 141.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 9 | K | 46.1 | Very low | 48.4 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -118.8 | 112.5 | -161 | -174.6 | -179.9 | -172.1 | -178.9 | 0 | 108.7 | ||||
| 10 | V | 51 | Low | 48.3 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -147.5 | 93.8 | 169.5 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 11 | L | 40.5 | Very low | 48 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | 62.9 | 82.5 | 98.5 | -163.2 | 71.4 | 0 | 0 | 0 | 113.4 | |||||
| 12 | S | 46.9 | Very low | 47.6 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -123.3 | 122.2 | 156.3 | 52.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 13 | K | 57.2 | Low | 47.4 | Very low | 184 Ų | 184 | 142 Ų | 142 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 149.1 | 169.6 | -76 | -173.9 | 177.4 | -177.3 | 0 | 108.8 | ||
| 14 | P | 43.5 | Very low | 47.3 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 146.7 | -171.1 | 33 | -28.2 | 0 | 0 | 0 | 111.9 | ||
| 15 | T | 50.3 | Low | 47.1 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75 | 127.1 | 175.8 | -39.8 | 0 | 0 | 0 | 0 | 109.7 | D17 | T15-D17 PolarHBondContact O-N 2.84Š|
| 16 | D | 52.2 | Low | 46.8 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 121.9 | 176.4 | -71.5 | -45.3 | 0 | 0 | 0 | 111.5 | I18 | D16-I18 PolarHBondContact O-N 2.88Š|
| 17 | D | 44.1 | Very low | 46.1 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | trans | -73.4 | 105.7 | 163.8 | -82 | -38.8 | 0 | 0 | 0 | 109.5 | T15 L19 | T15-D17 PolarHBondContact O-N 2.84Å; D17-L19 PolarHBondContact O-N 3.48Å | ||
| 18 | I | 46.2 | Very low | 45.9 | Very low | 153 Ų | 153 | 154 Ų | 154 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -91.8 | 92.9 | 165.4 | -63.7 | 177.9 | 0 | 0 | 0 | 107.9 | D16 V20 | D16-I18 PolarHBondContact O-N 2.88Å; I18-V20 PolarHBondContact O-N 2.73Å | ||
| 19 | L | 45.7 | Very low | 45.2 | Very low | 143 Ų | 143 | 154.9 Ų | 154.9 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | trans | -74.8 | 109.9 | 167.8 | -169.8 | 76.5 | 0 | 0 | 0 | 109 | D17 Q21 | D17-L19 PolarHBondContact O-N 3.48Å; L19-Q21 HydrophobicContact CD2-CG 4.35Å; L19-Q21 PolarHBondContact O-N 2.78Å; L19-Q21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | V | 45.2 | Very low | 44.6 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -67.2 | 105.4 | 167.8 | 172.6 | 0 | 0 | 0 | 0 | 108.4 | I18 | I18-V20 PolarHBondContact O-N 2.73Š| ||
| 21 | Q | 42 | Very low | 44.1 | Very low | 172 Ų | 172 | 153.8 Ų | 153.8 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -88.8 | 116.7 | 165.7 | -80.4 | -175.8 | -21.9 | 0 | 0 | 109.9 | L19 | L19-Q21 HydrophobicContact CD2-CG 4.35Å; L19-Q21 PolarHBondContact O-N 2.78Å; L19-Q21 VanDerWaalsContact O-N 3.17Å | ||
| 22 | T | 42 | Very low | 44.3 | Very low | 122 Ų | 122 | 156.2 Ų | 156.2 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -67.4 | 125.7 | 173.3 | 42.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 23 | S | 41.5 | Very low | 44.1 | Very low | 113 Ų | 113 | 156.5 Ų | 156.5 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | 27.1 | 106.1 | 141.1 | -54 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 24 | E | 45.1 | Very low | 43.3 | Very low | 201 Ų | 201 | 153 Ų | 153 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -86.8 | 107.8 | 148.1 | -78.8 | -174.7 | 141 | 0 | 0 | 109.3 | ||||
| 25 | Q | 40.2 | Very low | 42.9 | Very low | 194 Ų | 194 | 156.1 Ų | 156.1 | 91% | 0.907 | 83% | 0.83 | S | S | * | * | trans | -76.8 | 121.3 | 161.9 | -74.5 | -177.8 | -56 | 0 | 0 | 108.7 | ||||
| 26 | K | 47.3 | Very low | 42.5 | Very low | 208 Ų | 208 | 156 Ų | 156 | 90% | 0.904 | 83% | 0.829 | S | S | * | * | trans | -115.3 | 114.8 | 164 | -160.2 | 169.2 | -173.4 | 175.6 | 0 | 108.8 | ||||
| 27 | E | 40.2 | Very low | 41.8 | Very low | 186 Ų | 186 | 154.4 Ų | 154.4 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -55.1 | 140.6 | 178.2 | -65.5 | -158.8 | 134.6 | 0 | 0 | 113.2 | ||||
| 28 | L | 40 | Very low | 41.8 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -129 | 137.4 | 153 | -131.3 | 83.5 | 0 | 0 | 0 | 107.7 | ||||
| 29 | P | 41.3 | Very low | 41.6 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | trans | -81.1 | 148.7 | -159.2 | 32.1 | -32.2 | 0 | 0 | 0 | 112.9 | Q31 | P29-Q31 PolarHBondContact O-N 3.4Š| ||
| 30 | S | 35.1 | Very low | 41.2 | Very low | 123 Ų | 123 | 155.9 Ų | 155.9 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -50.7 | 126.2 | 174.5 | -69 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 31 | Q | 40.6 | Very low | 41.2 | Very low | 183 Ų | 183 | 156.3 Ų | 156.3 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | -116.3 | 101.8 | 156.5 | -165.9 | 167 | 8.4 | 0 | 0 | 109 | P29 | P29-Q31 PolarHBondContact O-N 3.4Š| ||
| 32 | K | 43.4 | Very low | 41.4 | Very low | 203 Ų | 203 | 152.5 Ų | 152.5 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | -61.2 | 128.5 | 167.8 | -85.8 | 178.6 | 171.9 | -175.7 | 0 | 109.4 | ||||
| 33 | V | 43 | Very low | 41.8 | Very low | 124 Ų | 124 | 152.4 Ų | 152.4 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | trans | -123.6 | 133.3 | 155.5 | -173.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 34 | P | 39.9 | Very low | 42.4 | Very low | 112 Ų | 112 | 152.2 Ų | 152.2 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -81 | 136.9 | -167.4 | -1.3 | 20.2 | 0 | 0 | 0 | 111.6 | T36 | P34-T36 PolarHBondContact O-N 2.81Š| ||
| 35 | L | 34.9 | Very low | 42.9 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | trans | -70.5 | 113 | 166 | -74.5 | 165.1 | 0 | 0 | 0 | 109.3 | ||||
| 36 | T | 43.8 | Very low | 43.8 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -81.8 | 119.4 | 166.1 | 37.3 | 0 | 0 | 0 | 0 | 110.3 | P34 | P34-T36 PolarHBondContact O-N 2.81Š| ||
| 37 | S | 36.8 | Very low | 44.1 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -43.3 | 125.8 | 167.4 | 169.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 38 | V | 43.5 | Very low | 45 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | trans | -145.9 | 102.3 | 149.3 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 39 | Q | 42 | Very low | 46.1 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | 63.8 | 98.9 | 140.7 | -59.4 | 175.2 | -17.2 | 0 | 0 | 119.8 | T41 | Q39-T41 PolarHBondContact O-N 3.3Š| ||
| 40 | Q | 38.5 | Very low | 47 | Very low | 201 Ų | 201 | 126.9 Ų | 126.9 | 94% | 0.939 | 73% | 0.731 | S | S | * | * | trans | -69.5 | 97.5 | 152 | -71.9 | 171.8 | -20.1 | 0 | 0 | 110.4 | ||||
| 41 | T | 45 | Very low | 48.1 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -158.9 | 135.2 | 154.9 | -18.4 | 0 | 0 | 0 | 0 | 111 | Q39 | Q39-T41 PolarHBondContact O-N 3.3Š| ||
| 42 | A | 44.8 | Very low | 49 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | trans | 82.1 | 74 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 43 | V | 51.3 | Low | 49.7 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | trans | -135.9 | 11 | 152.3 | -144.3 | 0 | 0 | 0 | 0 | 114.2 | P46 | V43-P46 WeakPolarHBondContact O-CD 3.07Š| ||
| 44 | V | 53.2 | Low | 50.3 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 66% | 0.661 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -78.9 | -27.4 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | M47 I48 | V44-M47 PolarHBondContact O-N 2.89Å; V44-I48 HydrophobicContact CG1-CD1 3.99Å; V44-I48 HydrophobicContact CG1-CG1 4.43Å; V44-I48 PolarHBondContact O-N 3.45Å |
| 45 | A | 55.8 | Low | 51.2 | Low | 75 Ų | 75 | 121.9 Ų | 121.9 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -65.4 | -41.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | M47 Q49 | A45-M47 VanDerWaalsContact C-N 3.33Å; A45-M47 PolarHBondContact O-N 2.86Å; A45-Q49 PolarHBondContact O-N 3.39Å |
| 46 | P | 58.8 | Low | 52 | Low | 82 Ų | 82 | 119 Ų | 119 | 53% | 0.532 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -68.3 | -33.1 | -180 | -15.7 | 29.6 | 0 | 0 | 0 | 112.6 | V43 Q49 A50 | V43-P46 WeakPolarHBondContact O-CD 3.07Å; P46-Q49 PolarHBondContact O-N 3.44Å; P46-A50 PolarHBondContact O-N 2.79Å |
| 47 | M | 53.3 | Low | 52.2 | Low | 90 Ų | 90 | 115.4 Ų | 115.4 | 44% | 0.443 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -70.3 | -37.5 | -176.7 | -171.2 | 173.7 | 141.4 | 0 | 0 | 112.4 | V44 A45 Q49 M51 F79 | V44-M47 PolarHBondContact O-N 2.89Å; A45-M47 VanDerWaalsContact C-N 3.33Å; A45-M47 PolarHBondContact O-N 2.86Å; M47-Q49 VanDerWaalsContact C-N 3.28Å; M47-Q49 PolarHBondContact O-N 2.81Å; M47-M51 PolarHBondContact O-N 3.5Å; M47-F79 HydrophobicContact CE-CB 3.78Å; M47-F79 HydrophobicContact CE-CD1 4.04Å; M47-F79 HydrophobicContact CE-CG 3.86Å |
| 48 | I | 60.6 | Low | 52.4 | Low | 107 Ų | 107 | 116.7 Ų | 116.7 | 55% | 0.549 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -67.8 | -33 | 172.7 | -63.3 | 177.2 | 0 | 0 | 0 | 110.5 | V44 M51 K52 | V44-I48 HydrophobicContact CG1-CD1 3.99Å; V44-I48 HydrophobicContact CG1-CG1 4.43Å; V44-I48 PolarHBondContact O-N 3.45Å; I48-M51 PolarHBondContact O-N 2.78Å; I48-K52 WeakPolarHBondContact O-CB 3.33Å; I48-K52 PolarHBondContact O-N 2.79Å |
| 49 | Q | 62 | Low | 52.6 | Low | 127 Ų | 127 | 117 Ų | 117 | 59% | 0.593 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.1 | -37 | -179.2 | -158.2 | 149.4 | 8.6 | 0 | 0 | 112.4 | A45 P46 M47 K52 N53 | A45-Q49 PolarHBondContact O-N 3.39Å; P46-Q49 PolarHBondContact O-N 3.44Å; M47-Q49 VanDerWaalsContact C-N 3.28Å; M47-Q49 PolarHBondContact O-N 2.81Å; Q49-K52 PolarHBondContact O-N 3.23Å; Q49-N53 PolarHBondContact O-N 3.37Å; Q49-N53 PolarHBondContact O-OD1 2.84Å |
| 50 | A | 59.8 | Low | 52.8 | Low | 66 Ų | 66 | 116.4 Ų | 116.4 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -64.7 | -39 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P46 R54 | P46-A50 PolarHBondContact O-N 2.79Å; A50-R54 PolarHBondContact O-N 2.83Å |
| 51 | M | 59.5 | Low | 53.1 | Low | 112 Ų | 112 | 112 Ų | 112 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66.1 | -38.1 | 173.1 | -79.7 | -175.8 | 161.8 | 0 | 0 | 112.5 | M47 I48 R54 A55 F79 | M47-M51 PolarHBondContact O-N 3.5Å; I48-M51 PolarHBondContact O-N 2.78Å; M51-R54 PolarHBondContact O-N 2.79Å; M51-A55 PolarHBondContact O-N 3.47Å; M51-F79 HydrophobicContact CE-CE1 4.29Å |
| 52 | K | 58.9 | Low | 53.1 | Low | 141 Ų | 141 | 111.9 Ų | 111.9 | 61% | 0.613 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.9 | -34 | -179 | -158.6 | 169.5 | -174 | 176.8 | 0 | 112.7 | I48 Q49 R54 A55 | I48-K52 WeakPolarHBondContact O-CB 3.33Å; I48-K52 PolarHBondContact O-N 2.79Å; Q49-K52 PolarHBondContact O-N 3.23Å; K52-R54 VanDerWaalsContact C-N 3.33Å; K52-A55 PolarHBondContact O-N 3.26Å |
| 53 | N | 58 | Low | 53.4 | Low | 104 Ų | 104 | 112.3 Ų | 112.3 | 56% | 0.556 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.4 | -31.3 | 176.9 | -72.6 | 1.9 | 0 | 0 | 0 | 112.3 | Q49 N56 | Q49-N53 PolarHBondContact O-N 3.37Å; Q49-N53 PolarHBondContact O-OD1 2.84Å; N53-N56 PolarHBondContact O-N 3.26Å |
| 54 | R | 56.8 | Low | 53.5 | Low | 202 Ų | 202 | 113.5 Ų | 113.5 | 76% | 0.762 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.2 | -26.9 | 177.6 | -152.4 | 172.2 | -164.7 | -176.3 | 4.6 | 113.6 | A50 M51 K52 N56 | A50-R54 PolarHBondContact O-N 2.83Å; M51-R54 PolarHBondContact O-N 2.79Å; K52-R54 VanDerWaalsContact C-N 3.33Å; R54-N56 VanDerWaalsContact C-N 3.29Å; R54-N56 PolarHBondContact O-N 2.8Å |
| 55 | A | 57.2 | Low | 53.6 | Low | 82 Ų | 82 | 115 Ų | 115 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.3 | -20.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | M51 K52 | M51-A55 PolarHBondContact O-N 3.47Å; K52-A55 PolarHBondContact O-N 3.26Å |
| 56 | N | 52.7 | Low | 53.7 | Low | 121 Ų | 121 | 119.8 Ų | 119.8 | 65% | 0.647 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 8.6 | -175.4 | -73 | -14.4 | 0 | 0 | 0 | 114.7 | N53 R54 D58 | N53-N56 PolarHBondContact O-N 3.26Å; R54-N56 VanDerWaalsContact C-N 3.29Å; R54-N56 PolarHBondContact O-N 2.8Å; N56-D58 PolarHBondContact O-N 2.62Å; N56-D58 VanDerWaalsContact O-N 3.09Å |
| 57 | G | 46.9 | Very low | 54.4 | Low | 58 Ų | 58 | 122.6 Ų | 122.6 | 60% | 0.598 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.9 | 18.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V59 | G57-V59 PolarHBondContact O-N 2.79Š|
| 58 | D | 42.3 | Very low | 55.2 | Low | 141 Ų | 141 | 129 Ų | 129 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | trans | -83 | 87.6 | 178.8 | -136.9 | -8.6 | 0 | 0 | 0 | 109.3 | N56 N60 | N56-D58 PolarHBondContact O-N 2.62Å; N56-D58 VanDerWaalsContact O-N 3.09Å; D58-N60 PolarHBondContact O-N 2.79Å | ||
| 59 | V | 47.5 | Very low | 55.6 | Low | 131 Ų | 131 | 130.7 Ų | 130.7 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | trans | -80.8 | 67.3 | 177.7 | -162.9 | 0 | 0 | 0 | 0 | 108.3 | G57 | G57-V59 PolarHBondContact O-N 2.79Š| ||
| 60 | N | 44.9 | Very low | 56.1 | Low | 153 Ų | 153 | 128.3 Ų | 128.3 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | 178.7 | 92.2 | 162.8 | -94 | -18.6 | 0 | 0 | 0 | 109 | D58 | D58-N60 PolarHBondContact O-N 2.79Š| ||
| 61 | S | 46.6 | Very low | 56.6 | Low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -147.7 | 106.6 | 163.5 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 62 | D | 43.3 | Very low | 57.3 | Low | 126 Ų | 126 | 126.1 Ų | 126.1 | 67% | 0.674 | 69% | 0.685 | S | S | * | * | trans | 16.9 | 101.3 | 155.2 | -71 | -21.6 | 0 | 0 | 0 | 117 | D64 | D62-D64 PolarHBondContact O-N 2.81Š| ||
| 63 | S | 53 | Low | 57.8 | Low | 100 Ų | 100 | 125 Ų | 125 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -69 | -1 | 166.3 | -172.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 64 | D | 52.2 | Low | 58.2 | Low | 146 Ų | 146 | 124.6 Ų | 124.6 | 78% | 0.781 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -96.8 | 4.5 | -167.4 | -71 | -12.7 | 0 | 0 | 0 | 114.6 | D62 | D62-D64 PolarHBondContact O-N 2.81Š|
| 65 | N | 54.7 | Low | 58.8 | Low | 141 Ų | 141 | 118.8 Ų | 118.8 | 75% | 0.754 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -117.5 | 18.1 | -179.6 | -76.4 | -50.4 | 0 | 0 | 0 | 114.9 | E67 | N65-E67 PolarHBondContact O-N 3.43Š|
| 66 | E | 58.7 | Low | 59.5 | Low | 176 Ų | 176 | 121.9 Ų | 121.9 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | trans | -75.9 | 89.1 | 172.5 | -68.9 | -165 | 163.4 | 0 | 0 | 110.9 | Y68 | E66-Y68 PolarHBondContact O-N 2.73Š| ||
| 67 | E | 74.3 | Confident | 60.1 | Low | 141 Ų | 141 | 118.7 Ų | 118.7 | 66% | 0.659 | 65% | 0.651 | S | S | * | * | trans | -59.7 | 118.6 | 166.9 | -174.2 | -179.1 | -152.9 | 0 | 0 | 109.4 | N65 R69 | N65-E67 PolarHBondContact O-N 3.43Å; E67-R69 PolarHBondContact O-N 3.37Å; E67-R69 IonicContact OE2-CZ 3.82Å; E67-R69 IonicContact OE2-NE 2.66Å; E67-R69 PolarHBondContact OE2-NE 2.86Å; E67-R69 IonicContact OE2-NH2 3.72Å; E67-R69 PolarHBondContact OE2-NH2 2.86Å | ||
| 68 | Y | 69.6 | Low | 61.3 | Low | 225 Ų | 225 | 122.2 Ų | 122.2 | 88% | 0.882 | 66% | 0.661 | S | S | * | * | trans | -62.5 | 105.5 | -179.1 | -150.3 | -88.1 | 0 | 0 | 0 | 110.3 | E66 | E66-Y68 PolarHBondContact O-N 2.73Š| ||
| 69 | R | 68.5 | Low | 62.7 | Low | 142 Ų | 142 | 120.6 Ų | 120.6 | 54% | 0.536 | 65% | 0.648 | S | S | . | * | trans | -93.9 | 128.4 | 175.3 | -65.8 | -66 | 178.6 | 136.9 | -10 | 110.4 | E67 A71 E73 | E67-R69 PolarHBondContact O-N 3.37Å; E67-R69 IonicContact OE2-CZ 3.82Å; E67-R69 IonicContact OE2-NE 2.66Å; E67-R69 PolarHBondContact OE2-NE 2.86Å; E67-R69 IonicContact OE2-NH2 3.72Å; E67-R69 PolarHBondContact OE2-NH2 2.86Å; R69-A71 PolarHBondContact O-N 3.24Å; R69-E73 WeakPolarHBondContact CD-OE2 3.26Å; R69-E73 IonicContact NH1-OE2 3.91Å; R69-E73 PolarHBondContact NH1-OE2 3.49Å | ||
| 70 | P | 73.2 | Confident | 63.8 | Low | 77 Ų | 77 | 114.6 Ų | 114.6 | 50% | 0.5 | 61% | 0.612 | S | S | . | * | trans | -54.1 | 140.4 | 177.4 | -25.7 | 34 | 0 | 0 | 0 | 111.9 | A72 E73 | P70-A72 PolarHBondContact O-N 3.41Å; P70-E73 PolarHBondContact O-N 2.85Å | ||
| 71 | A | 68.9 | Low | 64.9 | Low | 63 Ų | 63 | 113.9 Ų | 113.9 | 52% | 0.521 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -54.8 | -22.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R69 E73 F74 L75 | R69-A71 PolarHBondContact O-N 3.24Å; A71-E73 VanDerWaalsContact C-N 3.29Å; A71-E73 PolarHBondContact O-N 3.47Å; A71-F74 PolarHBondContact O-N 3.36Å; A71-L75 HydrophobicContact CB-CD1 4.29Å; A71-L75 WeakPolarHBondContact O-CB 3.3Å; A71-L75 WeakPolarHBondContact O-CG 3.16Å; A71-L75 PolarHBondContact O-N 2.82Å |
| 72 | A | 75.1 | Confident | 66.1 | Low | 68 Ų | 68 | 114.2 Ų | 114.2 | 56% | 0.562 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64 | -29.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P70 N76 | P70-A72 PolarHBondContact O-N 3.41Å; A72-N76 VanDerWaalsContact O-CG 3.23Å; A72-N76 PolarHBondContact O-ND2 3.25Å |
| 73 | E | 69.4 | Low | 67.5 | Low | 119 Ų | 119 | 114.1 Ų | 114.1 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -77.7 | -32.7 | 174.1 | -69.3 | -175.1 | -166.7 | 0 | 0 | 111.5 | R69 P70 A71 | R69-E73 WeakPolarHBondContact CD-OE2 3.26Å; R69-E73 IonicContact NH1-OE2 3.91Å; R69-E73 PolarHBondContact NH1-OE2 3.49Å; P70-E73 PolarHBondContact O-N 2.85Å; A71-E73 VanDerWaalsContact C-N 3.29Å; A71-E73 PolarHBondContact O-N 3.47Å |
| 74 | F | 66.8 | Low | 68.2 | Low | 95 Ų | 95 | 113.5 Ų | 113.5 | 42% | 0.417 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -78.5 | -44.6 | -178.9 | -177.6 | -101.2 | 0 | 0 | 0 | 112.8 | A71 N76 A80 Y83 L84 | A71-F74 PolarHBondContact O-N 3.36Å; F74-N76 VanDerWaalsContact C-N 3.29Å; F74-N76 PolarHBondContact O-N 3.23Å; F74-A80 HydrophobicContact CD1-CB 4.13Å; F74-A80 HydrophobicContact CE1-CB 3.84Å; F74-A80 HydrophobicContact CZ-CB 4.11Å; F74-A80 WeakPolarHBondContact O-CB 3.24Å; F74-Y83 AromaticContact CZ-CD1 3.97Å; F74-Y83 HydrophobicContact CZ-CD1 3.97Å; F74-L84 HydrophobicContact CE1-CD1 4.46Å; F74-L84 HydrophobicContact CE1-CG 4.43Å |
| 75 | L | 69.8 | Low | 69 | Low | 79 Ų | 79 | 111.4 Ų | 111.4 | 41% | 0.414 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | -4.3 | -172.1 | -67 | 174.5 | 0 | 0 | 0 | 114.6 | A71 S77 L84 | A71-L75 HydrophobicContact CB-CD1 4.29Å; A71-L75 WeakPolarHBondContact O-CB 3.3Å; A71-L75 WeakPolarHBondContact O-CG 3.16Å; A71-L75 PolarHBondContact O-N 2.82Å; L75-S77 VanDerWaalsContact C-N 3.27Å; L75-S77 PolarHBondContact O-N 3.49Å; L75-L84 HydrophobicContact CD2-CD1 4.43Å |
| 76 | N | 70.5 | Confident | 69.8 | Low | 148 Ų | 148 | 112.6 Ų | 112.6 | 79% | 0.791 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 3.8 | 180 | -83.5 | -11.1 | 0 | 0 | 0 | 114.5 | A72 F74 | A72-N76 VanDerWaalsContact O-CG 3.23Å; A72-N76 PolarHBondContact O-ND2 3.25Å; F74-N76 VanDerWaalsContact C-N 3.29Å; F74-N76 PolarHBondContact O-N 3.23Å |
| 77 | S | 66.7 | Low | 70.2 | Confident | 54 Ų | 54 | 107 Ų | 107 | 38% | 0.378 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -114.6 | 133.5 | 177.1 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | L75 F79 A80 | L75-S77 VanDerWaalsContact C-N 3.27Å; L75-S77 PolarHBondContact O-N 3.49Å; S77-F79 PolarHBondContact O-N 2.79Å; S77-F79 PolarHBondContact OG-N 3.41Å; S77-A80 VanDerWaalsContact O-CB 3.28Å; S77-A80 WeakPolarHBondContact O-CB 3.42Å; S77-A80 PolarHBondContact O-N 3.37Å |
| 78 | T | 71.2 | Confident | 69.5 | Low | 131 Ų | 131 | 103 Ų | 103 | 80% | 0.804 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -53.7 | -28.1 | 173.8 | -46.2 | 0 | 0 | 0 | 0 | 112.3 | A80 | T78-A80 VanDerWaalsContact C-N 3.32Å; T78-A80 PolarHBondContact O-N 3.21Å |
| 79 | F | 71 | Confident | 68.6 | Low | 107 Ų | 107 | 97.6 Ų | 97.6 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.7 | -22.8 | 177.2 | -109.9 | -85.6 | 0 | 0 | 0 | 114.2 | M47 M51 S77 F81 E82 Y83 | M47-F79 HydrophobicContact CE-CB 3.78Å; M47-F79 HydrophobicContact CE-CD1 4.04Å; M47-F79 HydrophobicContact CE-CG 3.86Å; M51-F79 HydrophobicContact CE-CE1 4.29Å; S77-F79 PolarHBondContact O-N 2.79Å; S77-F79 PolarHBondContact OG-N 3.41Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 2.87Å; F79-E82 PolarHBondContact O-N 3.46Å; F79-Y83 PolarHBondContact O-N 2.83Å |
| 80 | A | 71.2 | Confident | 67.9 | Low | 5 Ų | 5 | 94.9 Ų | 94.9 | 4% | 0.041 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -65.4 | -35.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F74 S77 T78 Y83 L84 | F74-A80 HydrophobicContact CD1-CB 4.13Å; F74-A80 HydrophobicContact CE1-CB 3.84Å; F74-A80 HydrophobicContact CZ-CB 4.11Å; F74-A80 WeakPolarHBondContact O-CB 3.24Å; S77-A80 VanDerWaalsContact O-CB 3.28Å; S77-A80 WeakPolarHBondContact O-CB 3.42Å; S77-A80 PolarHBondContact O-N 3.37Å; T78-A80 VanDerWaalsContact C-N 3.32Å; T78-A80 PolarHBondContact O-N 3.21Å; A80-Y83 PolarHBondContact O-N 2.88Å; A80-L84 WeakPolarHBondContact O-CG 3.28Å; A80-L84 PolarHBondContact O-N 2.9Å |
| 81 | F | 67.6 | Low | 67.3 | Low | 138 Ų | 138 | 97.1 Ų | 97.1 | 61% | 0.605 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -37 | 176.1 | -73.7 | -79.3 | 0 | 0 | 0 | 112.2 | F79 L84 N85 | F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 2.87Å; F81-L84 PolarHBondContact O-N 3.32Å; F81-N85 WeakPolarHBondContact O-CB 3.16Å; F81-N85 PolarHBondContact O-N 3.25Å |
| 82 | E | 71.4 | Confident | 67 | Low | 117 Ų | 117 | 96.5 Ų | 96.5 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 176.3 | -167.6 | 167.4 | -165.2 | 0 | 0 | 111.4 | F79 N85 Q86 | F79-E82 PolarHBondContact O-N 3.46Å; E82-N85 PolarHBondContact O-N 2.87Å; E82-Q86 WeakPolarHBondContact O-CB 3.36Å; E82-Q86 PolarHBondContact O-N 2.87Å |
| 83 | Y | 73.5 | Confident | 66.4 | Low | 124 Ų | 124 | 95.5 Ų | 95.5 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 173.1 | -175.5 | -96.7 | 0 | 0 | 0 | 112.2 | F74 F79 A80 N85 Q86 A87 | F74-Y83 AromaticContact CZ-CD1 3.97Å; F74-Y83 HydrophobicContact CZ-CD1 3.97Å; F79-Y83 PolarHBondContact O-N 2.83Å; A80-Y83 PolarHBondContact O-N 2.88Å; Y83-N85 VanDerWaalsContact C-N 3.31Å; Y83-N85 PolarHBondContact O-N 2.85Å; Y83-Q86 PolarHBondContact O-N 3.46Å; Y83-A87 VanDerWaalsContact O-CB 3.25Å; Y83-A87 WeakPolarHBondContact O-CB 3.3Å; Y83-A87 PolarHBondContact O-N 2.92Å |
| 84 | L | 68.2 | Low | 66.1 | Low | 88 Ų | 88 | 94.2 Ų | 94.2 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 176 | -76.9 | 170.7 | 0 | 0 | 0 | 112 | F74 L75 A80 F81 Q86 S88 | F74-L84 HydrophobicContact CE1-CD1 4.46Å; F74-L84 HydrophobicContact CE1-CG 4.43Å; L75-L84 HydrophobicContact CD2-CD1 4.43Å; A80-L84 WeakPolarHBondContact O-CG 3.28Å; A80-L84 PolarHBondContact O-N 2.9Å; F81-L84 PolarHBondContact O-N 3.32Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-S88 WeakPolarHBondContact O-CB 3.32Å; L84-S88 PolarHBondContact O-N 3.5Å; L84-S88 VanDerWaalsContact O-N 3.11Å |
| 85 | N | 68.4 | Low | 66 | Low | 102 Ų | 102 | 95.5 Ų | 95.5 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 178.1 | -161.8 | 43.4 | 0 | 0 | 0 | 111.9 | F81 E82 Y83 A93 | F81-N85 WeakPolarHBondContact O-CB 3.16Å; F81-N85 PolarHBondContact O-N 3.25Å; E82-N85 PolarHBondContact O-N 2.87Å; Y83-N85 VanDerWaalsContact C-N 3.31Å; Y83-N85 PolarHBondContact O-N 2.85Å; N85-A93 VanDerWaalsContact OD1-CB 3.3Å; N85-A93 WeakPolarHBondContact OD1-CB 3.17Å |
| 86 | Q | 72.1 | Confident | 65.8 | Low | 165 Ų | 165 | 99.4 Ų | 99.4 | 77% | 0.771 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -82.8 | -29.1 | -180 | -163.4 | 155.3 | 49.1 | 0 | 0 | 113.5 | E82 Y83 L84 S88 | E82-Q86 WeakPolarHBondContact O-CB 3.36Å; E82-Q86 PolarHBondContact O-N 2.87Å; Y83-Q86 PolarHBondContact O-N 3.46Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-S88 VanDerWaalsContact C-N 3.27Å |
| 87 | A | 67.1 | Low | 65.7 | Low | 59 Ų | 59 | 100.2 Ų | 100.2 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.2 | -18.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y83 S89 | Y83-A87 VanDerWaalsContact O-CB 3.25Å; Y83-A87 WeakPolarHBondContact O-CB 3.3Å; Y83-A87 PolarHBondContact O-N 2.92Å; A87-S89 VanDerWaalsContact C-N 3.31Å; A87-S89 PolarHBondContact O-N 3.27Å |
| 88 | S | 58.6 | Low | 65.7 | Low | 56 Ų | 56 | 102.6 Ų | 102.6 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | trans | -78.7 | 80 | 174.9 | -159.6 | 0 | 0 | 0 | 0 | 110.6 | L84 Q86 S90 | L84-S88 WeakPolarHBondContact O-CB 3.32Å; L84-S88 PolarHBondContact O-N 3.5Å; L84-S88 VanDerWaalsContact O-N 3.11Å; Q86-S88 VanDerWaalsContact C-N 3.27Å; S88-S90 PolarHBondContact O-N 2.84Å | ||
| 89 | S | 50.8 | Low | 65.9 | Low | 112 Ų | 112 | 98.5 Ų | 98.5 | 78% | 0.783 | 52% | 0.519 | S | S | * | . | trans | -77.6 | 59.7 | 178.6 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | A87 | A87-S89 VanDerWaalsContact C-N 3.31Å; A87-S89 PolarHBondContact O-N 3.27Å | ||
| 90 | S | 54.4 | Low | 65.9 | Low | 85 Ų | 85 | 99 Ų | 99 | 59% | 0.594 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 171.5 | 108.8 | 166.8 | 46.5 | 0 | 0 | 0 | 0 | 110.1 | S88 A92 | S88-S90 PolarHBondContact O-N 2.84Å; S90-A92 WeakPolarHBondContact O-CB 3.22Å; S90-A92 PolarHBondContact O-N 3.36Å |
| 91 | N | 60.8 | Low | 65.9 | Low | 124 Ų | 124 | 108.7 Ų | 108.7 | 66% | 0.663 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 33.7 | 4.2 | 158.1 | -57.8 | 2.8 | 0 | 0 | 0 | 121.1 | D94 L95 | N91-D94 WeakPolarHBondContact O-CB 3.22Å; N91-D94 PolarHBondContact O-N 2.81Å; N91-D94 VanDerWaalsContact O-N 3.16Å; N91-L95 WeakPolarHBondContact O-CG 3.22Å; N91-L95 PolarHBondContact O-N 3.3Å |
| 92 | A | 62.3 | Low | 66.2 | Low | 51 Ų | 51 | 103.5 Ų | 103.5 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -76.6 | -33.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S90 D94 L95 | S90-A92 WeakPolarHBondContact O-CB 3.22Å; S90-A92 PolarHBondContact O-N 3.36Å; A92-D94 VanDerWaalsContact C-N 3.27Å; A92-L95 PolarHBondContact O-N 2.92Å |
| 93 | A | 61.7 | Low | 66.2 | Low | 46 Ų | 46 | 103.5 Ų | 103.5 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.1 | -33.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N85 | N85-A93 VanDerWaalsContact OD1-CB 3.3Å; N85-A93 WeakPolarHBondContact OD1-CB 3.17Å |
| 94 | D | 63.7 | Low | 66.1 | Low | 92 Ų | 92 | 105.4 Ų | 105.4 | 49% | 0.492 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -74.6 | -37.2 | 177.8 | -61.7 | -32.6 | 0 | 0 | 0 | 111.5 | N91 A92 Y96 R97 D98 | N91-D94 WeakPolarHBondContact O-CB 3.22Å; N91-D94 PolarHBondContact O-N 2.81Å; N91-D94 VanDerWaalsContact O-N 3.16Å; A92-D94 VanDerWaalsContact C-N 3.27Å; D94-Y96 PolarHBondContact O-N 2.91Å; D94-R97 CarbonylContact O-C 3.51Å; D94-R97 WeakPolarHBondContact O-CA 3.23Å; D94-R97 WeakPolarHBondContact O-CB 3.34Å; D94-R97 PolarHBondContact O-N 3.2Å; D94-D98 PolarHBondContact O-N 3.38Å |
| 95 | L | 65.6 | Low | 66.5 | Low | 123 Ų | 123 | 104.3 Ų | 104.3 | 64% | 0.644 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.1 | -31.7 | 176.4 | -72.3 | 174.4 | 0 | 0 | 0 | 113.5 | N91 A92 R97 S99 | N91-L95 WeakPolarHBondContact O-CG 3.22Å; N91-L95 PolarHBondContact O-N 3.3Å; A92-L95 PolarHBondContact O-N 2.92Å; L95-R97 VanDerWaalsContact C-N 3.35Å; L95-S99 PolarHBondContact O-N 3.44Å |
| 96 | Y | 65.8 | Low | 66.9 | Low | 160 Ų | 160 | 105.4 Ų | 105.4 | 63% | 0.627 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68 | -37.2 | 172.7 | 178.2 | -95.1 | 0 | 0 | 0 | 111.6 | D94 S99 V102 | D94-Y96 PolarHBondContact O-N 2.91Å; Y96-S99 VanDerWaalsContact O-CB 3.31Å; Y96-S99 WeakPolarHBondContact O-CB 3.4Å; Y96-V102 WeakPolarHBondContact O-CG2 3.26Å |
| 97 | R | 66.8 | Low | 67.3 | Low | 166 Ų | 166 | 105.2 Ų | 105.2 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -75.8 | -29 | 177.8 | -62 | -63.9 | -177.5 | 173.6 | -1.7 | 112.7 | D94 L95 S99 | D94-R97 CarbonylContact O-C 3.51Å; D94-R97 WeakPolarHBondContact O-CA 3.23Å; D94-R97 WeakPolarHBondContact O-CB 3.34Å; D94-R97 PolarHBondContact O-N 3.2Å; L95-R97 VanDerWaalsContact C-N 3.35Å; R97-S99 VanDerWaalsContact C-N 3.35Å |
| 98 | D | 67.1 | Low | 67.5 | Low | 103 Ų | 103 | 105.1 Ų | 105.1 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -89.5 | 0.8 | 175.3 | -71.5 | -14.2 | 0 | 0 | 0 | 113.3 | D94 | D94-D98 PolarHBondContact O-N 3.38Š|
| 99 | S | 74.8 | Confident | 67.9 | Low | 45 Ų | 45 | 111 Ų | 111 | 32% | 0.315 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -60.5 | 140 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | L95 Y96 R97 Y101 V102 Q103 | L95-S99 PolarHBondContact O-N 3.44Å; Y96-S99 VanDerWaalsContact O-CB 3.31Å; Y96-S99 WeakPolarHBondContact O-CB 3.4Å; R97-S99 VanDerWaalsContact C-N 3.35Å; S99-Y101 PolarHBondContact O-N 2.85Å; S99-Y101 PolarHBondContact OG-N 3.37Å; S99-V102 PolarHBondContact O-N 3.38Å; S99-Q103 PolarHBondContact O-N 2.93Å; S99-Q103 VanDerWaalsContact O-N 3.09Å |
| 100 | L | 73.1 | Confident | 68.3 | Low | 118 Ų | 118 | 111.1 Ų | 111.1 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -52.6 | -32.4 | 175.4 | -71 | 165.7 | 0 | 0 | 0 | 112 | V102 Q103 F104 | L100-V102 VanDerWaalsContact C-N 3.29Å; L100-V102 PolarHBondContact O-N 2.91Å; L100-Q103 PolarHBondContact O-N 2.93Å; L100-F104 HydrophobicContact CD2-CE2 3.98Å; L100-F104 WeakPolarHBondContact O-CD2 3.32Å; L100-F104 PolarHBondContact O-N 3.04Å |
| 101 | Y | 70.8 | Confident | 68.5 | Low | 208 Ų | 208 | 116.2 Ų | 116.2 | 82% | 0.816 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63 | -33.9 | 176.3 | -101.5 | -85.6 | 0 | 0 | 0 | 113.4 | S99 D105 | S99-Y101 PolarHBondContact O-N 2.85Å; S99-Y101 PolarHBondContact OG-N 3.37Å; Y101-D105 PolarHBondContact O-N 2.88Å |
| 102 | V | 72.3 | Confident | 68.3 | Low | 29 Ų | 29 | 115.9 Ų | 115.9 | 18% | 0.176 | 59% | 0.593 | C | S | . | * | H | α-helix | trans | -83.2 | -35.3 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | Y96 S99 L100 F104 D105 V108 | Y96-V102 WeakPolarHBondContact O-CG2 3.26Å; S99-V102 PolarHBondContact O-N 3.38Å; L100-V102 VanDerWaalsContact C-N 3.29Å; L100-V102 PolarHBondContact O-N 2.91Å; V102-F104 PolarHBondContact O-N 3.45Å; V102-D105 PolarHBondContact O-N 3.41Å; V102-V108 HydrophobicContact CG1-CB 4.46Å; V102-V108 HydrophobicContact CG1-CG1 3.87Å |
| 103 | Q | 72.3 | Confident | 67.9 | Low | 118 Ų | 118 | 120.8 Ų | 120.8 | 55% | 0.551 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.1 | -24.8 | 176.4 | -69.8 | -176.4 | -13.6 | 0 | 0 | 113.7 | S99 L100 | S99-Q103 PolarHBondContact O-N 2.93Å; S99-Q103 VanDerWaalsContact O-N 3.09Å; L100-Q103 PolarHBondContact O-N 2.93Å |
| 104 | F | 71.4 | Confident | 67.5 | Low | 163 Ų | 163 | 123 Ų | 123 | 72% | 0.715 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 12.5 | 177 | -66.1 | -71.1 | 0 | 0 | 0 | 113.6 | L100 V102 P106 | L100-F104 HydrophobicContact CD2-CE2 3.98Å; L100-F104 WeakPolarHBondContact O-CD2 3.32Å; L100-F104 PolarHBondContact O-N 3.04Å; V102-F104 PolarHBondContact O-N 3.45Å; F104-P106 VanDerWaalsContact O-CD 3.26Å; F104-P106 WeakPolarHBondContact O-CD 3.28Å |
| 105 | D | 76.8 | Confident | 66.5 | Low | 65 Ų | 65 | 126 Ų | 126 | 35% | 0.348 | 65% | 0.646 | S | S | . | * | trans | -83.8 | 110 | 172.3 | -171.9 | -14.5 | 0 | 0 | 0 | 109.9 | Y101 V102 L107 V108 | Y101-D105 PolarHBondContact O-N 2.88Å; V102-D105 PolarHBondContact O-N 3.41Å; D105-L107 PolarHBondContact O-N 3.36Å; D105-L107 VanDerWaalsContact O-N 3.08Å; D105-L107 PolarHBondContact OD1-N 3.49Å; D105-V108 HydrophobicContact CB-CB 4.19Å; D105-V108 HydrophobicContact CB-CG2 3.91Å; D105-V108 PolarHBondContact O-N 2.64Å; D105-V108 WeakPolarHBondContact OD2-CG2 3.41Å | ||
| 106 | P | 77.5 | Confident | 65.6 | Low | 125 Ų | 125 | 125.6 Ų | 125.6 | 81% | 0.812 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -11.9 | -177 | 26.6 | -33.7 | 0 | 0 | 0 | 114.1 | F104 | F104-P106 VanDerWaalsContact O-CD 3.26Å; F104-P106 WeakPolarHBondContact O-CD 3.28Å |
| 107 | L | 79.3 | Confident | 64.6 | Low | 162 Ų | 162 | 123.3 Ų | 123.3 | 85% | 0.848 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -4.5 | 176.1 | -61.8 | 178.6 | 0 | 0 | 0 | 113.4 | D105 | D105-L107 PolarHBondContact O-N 3.36Å; D105-L107 VanDerWaalsContact O-N 3.08Å; D105-L107 PolarHBondContact OD1-N 3.49Å |
| 108 | V | 71.8 | Confident | 63.5 | Low | 56 Ų | 56 | 118.3 Ų | 118.3 | 34% | 0.339 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -111 | 112.2 | -179.6 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | V102 D105 P110 | V102-V108 HydrophobicContact CG1-CB 4.46Å; V102-V108 HydrophobicContact CG1-CG1 3.87Å; D105-V108 HydrophobicContact CB-CB 4.19Å; D105-V108 HydrophobicContact CB-CG2 3.91Å; D105-V108 PolarHBondContact O-N 2.64Å; D105-V108 WeakPolarHBondContact OD2-CG2 3.41Å; V108-P110 WeakPolarHBondContact O-CD 3.25Å |
| 109 | E | 67.5 | Low | 62.4 | Low | 181 Ų | 181 | 121 Ų | 121 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 122.7 | 174.9 | -72.8 | -174.7 | 168 | 0 | 0 | 110.3 | K111 | E109-K111 PolarHBondContact O-N 3.19Š|
| 110 | P | 59.3 | Low | 60.7 | Low | 114 Ų | 114 | 126.7 Ų | 126.7 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -67 | 123.6 | 175.1 | 25.3 | -30.9 | 0 | 0 | 0 | 109.4 | V108 | V108-P110 WeakPolarHBondContact O-CD 3.25Š|
| 111 | K | 58.7 | Low | 59.4 | Low | 191 Ų | 191 | 125.8 Ų | 125.8 | 83% | 0.83 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -67 | 130.8 | 176.1 | -162.4 | 172 | -174.8 | 176.1 | 0 | 109.2 | E109 L113 | E109-K111 PolarHBondContact O-N 3.19Å; K111-L113 PolarHBondContact O-N 3.03Å |
| 112 | P | 56.5 | Low | 58.4 | Low | 117 Ų | 117 | 122.9 Ų | 122.9 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 125.2 | 177.3 | 22.3 | -30.1 | 0 | 0 | 0 | 110 | A114 | P112-A114 PolarHBondContact O-N 3.48Š|
| 113 | L | 53.3 | Low | 57.3 | Low | 155 Ų | 155 | 124.3 Ų | 124.3 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | trans | -58.2 | 111.5 | 173.8 | -97.9 | 82.2 | 0 | 0 | 0 | 109.2 | K111 N115 | K111-L113 PolarHBondContact O-N 3.03Å; L113-N115 PolarHBondContact O-N 2.89Å; L113-N115 VanDerWaalsContact O-N 3.15Å | ||
| 114 | A | 52.3 | Low | 56.3 | Low | 91 Ų | 91 | 125.1 Ų | 125.1 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | trans | -69.2 | 104.8 | 162 | 0 | 0 | 0 | 0 | 0 | 107.5 | P112 P116 | P112-A114 PolarHBondContact O-N 3.48Å; A114-P116 WeakPolarHBondContact O-CD 3.35Å | ||
| 115 | N | 43.5 | Very low | 55.3 | Low | 157 Ų | 157 | 126.5 Ų | 126.5 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | trans | -48.1 | 117.1 | 178.6 | -80 | -24.6 | 0 | 0 | 0 | 112.5 | L113 | L113-N115 PolarHBondContact O-N 2.89Å; L113-N115 VanDerWaalsContact O-N 3.15Å | ||
| 116 | P | 47.8 | Very low | 54.1 | Low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | trans | -92.6 | 113.3 | 147.8 | 14.5 | 7.2 | 0 | 0 | 0 | 106.7 | A114 G118 | A114-P116 WeakPolarHBondContact O-CD 3.35Å; P116-G118 PolarHBondContact O-N 2.94Å; P116-G118 VanDerWaalsContact O-N 3.14Å | ||
| 117 | A | 43.2 | Very low | 53 | Low | 112 Ų | 112 | 130.6 Ų | 130.6 | 93% | 0.926 | 73% | 0.731 | S | S | * | * | trans | -53.7 | 119.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 118 | G | 44.4 | Very low | 52 | Low | 61 Ų | 61 | 129.1 Ų | 129.1 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | trans | 143.3 | 101.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P116 | P116-G118 PolarHBondContact O-N 2.94Å; P116-G118 VanDerWaalsContact O-N 3.14Å | ||
| 119 | N | 44.1 | Very low | 51.1 | Low | 160 Ų | 160 | 131.8 Ų | 131.8 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | trans | 79.8 | 131.2 | 147.4 | -58.9 | -12.3 | 0 | 0 | 0 | 118.9 | ||||
| 120 | M | 39.6 | Very low | 50.9 | Low | 164 Ų | 164 | 128.8 Ų | 128.8 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | trans | 77.1 | 77.5 | 160.9 | -60.1 | -175.9 | 63.6 | 0 | 0 | 117.7 | ||||
| 121 | V | 45.1 | Very low | 51 | Low | 99 Ų | 99 | 133.4 Ų | 133.4 | 60% | 0.6 | 72% | 0.717 | S | S | * | * | trans | -120.2 | 81.3 | 151.5 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | G123 H124 | V121-G123 VanDerWaalsContact C-N 3.31Å; V121-H124 HydrophobicContact CG1-CB 3.61Å; V121-H124 VanDerWaalsContact CG1-CD2 3.5Å; V121-H124 WeakPolarHBondContact CG1-CD2 3.24Å | ||
| 122 | I | 50.2 | Low | 51 | Low | 147 Ų | 147 | 129.5 Ų | 129.5 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -81.8 | -15.4 | 170.8 | -66.3 | 174.4 | 0 | 0 | 0 | 110.4 | ||||
| 123 | G | 49.7 | Very low | 51 | Low | 59 Ų | 59 | 130.4 Ų | 130.4 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -80.8 | -41.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | V121 R125 | V121-G123 VanDerWaalsContact C-N 3.31Å; G123-R125 PolarHBondContact O-N 3.07Å |
| 124 | H | 50.4 | Low | 50.9 | Low | 135 Ų | 135 | 132.2 Ų | 132.2 | 63% | 0.625 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -84.6 | -6 | -175.6 | -68.2 | -62.1 | 0 | 0 | 0 | 114.9 | V121 | V121-H124 HydrophobicContact CG1-CB 3.61Å; V121-H124 VanDerWaalsContact CG1-CD2 3.5Å; V121-H124 WeakPolarHBondContact CG1-CD2 3.24Å |
| 125 | R | 50.9 | Low | 50.9 | Low | 191 Ų | 191 | 132 Ų | 132 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -75.8 | -28 | 179.6 | -163.5 | 171.1 | -169 | 162.7 | 5.4 | 112.8 | G123 F129 | G123-R125 PolarHBondContact O-N 3.07Å; R125-F129 WeakPolarHBondContact O-CB 3.44Å; R125-F129 PolarHBondContact O-N 3.34Å |
| 126 | M | 50.5 | Low | 51.2 | Low | 138 Ų | 138 | 127.7 Ų | 127.7 | 68% | 0.68 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.3 | -39.1 | -179.7 | -151.9 | 93.2 | 85.1 | 0 | 0 | 111.9 | F129 L130 | M126-F129 PolarHBondContact O-N 3.24Å; M126-L130 HydrophobicContact CG-CD1 4.29Å; M126-L130 WeakPolarHBondContact O-CG 3.41Å; M126-L130 PolarHBondContact O-N 2.88Å |
| 127 | E | 55.1 | Low | 51.2 | Low | 138 Ų | 138 | 128.8 Ų | 128.8 | 65% | 0.645 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -66.6 | -40.2 | 179.4 | -76.6 | -159.6 | 147.8 | 0 | 0 | 112.4 | F129 L130 R131 | E127-F129 VanDerWaalsContact C-N 3.35Å; E127-L130 PolarHBondContact O-N 3.34Å; E127-R131 WeakPolarHBondContact O-CB 3.47Å; E127-R131 PolarHBondContact O-N 2.91Å |
| 128 | K | 57.4 | Low | 51.9 | Low | 131 Ų | 131 | 128.2 Ų | 128.2 | 57% | 0.57 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -65.6 | -39.2 | 175.4 | -166.9 | 177.1 | 174.5 | -178.3 | 0 | 111.7 | R131 E132 | K128-R131 PolarHBondContact O-N 3.37Å; K128-E132 WeakPolarHBondContact CE-OE1 3.5Å; K128-E132 IonicContact NZ-OE1 3.04Å; K128-E132 WeakPolarHBondContact O-CB 3.25Å; K128-E132 PolarHBondContact O-N 3.47Å |
| 129 | F | 54.3 | Low | 52.1 | Low | 112 Ų | 112 | 131 Ų | 131 | 49% | 0.491 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -68.5 | -36.8 | 179.5 | -151.3 | -97.7 | 0 | 0 | 0 | 113 | R125 M126 E127 Q133 | R125-F129 WeakPolarHBondContact O-CB 3.44Å; R125-F129 PolarHBondContact O-N 3.34Å; M126-F129 PolarHBondContact O-N 3.24Å; E127-F129 VanDerWaalsContact C-N 3.35Å; F129-Q133 PolarHBondContact O-N 3.48Å |
| 130 | L | 63.2 | Low | 52.1 | Low | 118 Ų | 118 | 132 Ų | 132 | 62% | 0.618 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -72.3 | -31.2 | 174.1 | -72.4 | 166.7 | 0 | 0 | 0 | 112.3 | M126 E127 K134 | M126-L130 HydrophobicContact CG-CD1 4.29Å; M126-L130 WeakPolarHBondContact O-CG 3.41Å; M126-L130 PolarHBondContact O-N 2.88Å; E127-L130 PolarHBondContact O-N 3.34Å; L130-K134 PolarHBondContact O-N 3Å |
| 131 | R | 61.8 | Low | 52.4 | Low | 211 Ų | 211 | 132.4 Ų | 132.4 | 80% | 0.796 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -77 | -37.1 | 177.6 | -144.5 | 174 | -154.5 | 175.1 | 6.2 | 112.6 | E127 K128 K134 A135 | E127-R131 WeakPolarHBondContact O-CB 3.47Å; E127-R131 PolarHBondContact O-N 2.91Å; K128-R131 PolarHBondContact O-N 3.37Å; R131-K134 PolarHBondContact O-N 3.45Å; R131-A135 PolarHBondContact O-N 3.45Å |
| 132 | E | 58.1 | Low | 52.5 | Low | 110 Ų | 110 | 138.1 Ų | 138.1 | 51% | 0.514 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -72.3 | -33.5 | 175.6 | -86.9 | 161.7 | 169.3 | 0 | 0 | 112.6 | K128 K134 A135 A136 | K128-E132 WeakPolarHBondContact CE-OE1 3.5Å; K128-E132 IonicContact NZ-OE1 3.04Å; K128-E132 WeakPolarHBondContact O-CB 3.25Å; K128-E132 PolarHBondContact O-N 3.47Å; E132-K134 VanDerWaalsContact C-N 3.34Å; E132-K134 PolarHBondContact O-N 2.98Å; E132-A135 PolarHBondContact O-N 3.24Å; E132-A136 PolarHBondContact O-N 3.01Å |
| 133 | Q | 55.9 | Low | 51.9 | Low | 136 Ų | 136 | 136.5 Ų | 136.5 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -73.5 | -21.4 | 173.2 | -78 | -138.1 | 78.5 | 0 | 0 | 114.3 | F129 | F129-Q133 PolarHBondContact O-N 3.48Å |
| 134 | K | 51.6 | Low | 51.4 | Low | 193 Ų | 193 | 142.4 Ų | 142.4 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -87.1 | -11.9 | 175.7 | -142.1 | 175.1 | -174.3 | -177.5 | 0 | 113.1 | L130 R131 E132 | L130-K134 PolarHBondContact O-N 3Å; R131-K134 PolarHBondContact O-N 3.45Å; E132-K134 VanDerWaalsContact C-N 3.34Å; E132-K134 PolarHBondContact O-N 2.98Å |
| 135 | A | 52.6 | Low | 51.2 | Low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -102 | -10.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R131 E132 | R131-A135 PolarHBondContact O-N 3.45Å; E132-A135 PolarHBondContact O-N 3.24Å |
| 136 | A | 48.7 | Very low | 50.7 | Low | 67 Ų | 67 | 137.7 Ų | 137.7 | 55% | 0.554 | 72% | 0.723 | S | S | * | * | trans | -99.9 | 88.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | E132 P138 | E132-A136 PolarHBondContact O-N 3.01Å; A136-P138 VanDerWaalsContact O-CD 3.28Å; A136-P138 WeakPolarHBondContact O-CD 3.36Å | ||
| 137 | V | 48.8 | Very low | 50.3 | Low | 136 Ų | 136 | 138.6 Ų | 138.6 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 116.5 | 164.8 | 175.6 | 0 | 0 | 0 | 0 | 107.6 | ||
| 138 | P | 57.4 | Low | 49.6 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 146.3 | 170.8 | -5.8 | 23.6 | 0 | 0 | 0 | 108.9 | A136 E140 | A136-P138 VanDerWaalsContact O-CD 3.28Å; A136-P138 WeakPolarHBondContact O-CD 3.36Å; P138-E140 PolarHBondContact O-N 3.37Å |
| 139 | P | 49.6 | Very low | 48.9 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 124 | 170.3 | 27.9 | -30.3 | 0 | 0 | 0 | 108.4 | L141 | P139-L141 PolarHBondContact O-N 2.81Š|
| 140 | E | 43.7 | Very low | 48.4 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -54.2 | 108.4 | 168.9 | -85.2 | -177.8 | 138.7 | 0 | 0 | 109.4 | P138 R142 | P138-E140 PolarHBondContact O-N 3.37Å; E140-R142 PolarHBondContact O-N 3.46Å; E140-R142 VanDerWaalsContact O-N 3.13Å | ||
| 141 | L | 46.2 | Very low | 47.2 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -68.1 | 102.1 | 161.3 | -75 | 163.4 | 0 | 0 | 0 | 107.5 | P139 | P139-L141 PolarHBondContact O-N 2.81Š| ||
| 142 | R | 47.4 | Very low | 46.3 | Very low | 219 Ų | 219 | 139.3 Ų | 139.3 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -67.3 | 140.5 | 170.4 | -71.2 | -171.5 | -165.1 | 165.7 | 5.6 | 110.1 | E140 L144 | E140-R142 PolarHBondContact O-N 3.46Å; E140-R142 VanDerWaalsContact O-N 3.13Å; R142-L144 PolarHBondContact O-N 3.18Å | ||
| 143 | P | 37.8 | Very low | 45.5 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -66.6 | 129 | 173.1 | -13.5 | 27.7 | 0 | 0 | 0 | 110.8 | T145 | P143-T145 PolarHBondContact O-N 2.95Š| ||
| 144 | L | 38 | Very low | 44.7 | Very low | 182 Ų | 182 | 144 Ų | 144 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | trans | -71.8 | 105.2 | 166.6 | -71.4 | 167.6 | 0 | 0 | 0 | 108.7 | R142 | R142-L144 PolarHBondContact O-N 3.18Š| ||
| 145 | T | 46.6 | Very low | 44 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -106.7 | 122.1 | 160.2 | 53.2 | 0 | 0 | 0 | 0 | 108.4 | P143 | P143-T145 PolarHBondContact O-N 2.95Š| ||
| 146 | A | 39.3 | Very low | 43.7 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -60.7 | 128.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 147 | D | 42.7 | Very low | 43.1 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | -177.8 | 155.8 | 118.5 | -123.8 | -27.7 | 0 | 0 | 0 | 112.3 | |||||
| 148 | E | 41.3 | Very low | 42.5 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 77.9 | 108.3 | 162.4 | -70.6 | -164.4 | 127.4 | 0 | 0 | 123 | ||||
| 149 | H | 42.3 | Very low | 41.5 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 82% | 0.819 | 82% | 0.822 | S | S | * | * | trans | 5.7 | 124.8 | 140.1 | -70.9 | -58.3 | 0 | 0 | 0 | 120.3 | ||||
| 150 | T | 42.7 | Very low | 40.9 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | 167.1 | 133.7 | 117.6 | 34.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 151 | P | 38.7 | Very low | 40.9 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -96.1 | 117.9 | 174 | 33.6 | -25.2 | 0 | 0 | 0 | 110.7 | ||||
| 152 | S | 44.2 | Very low | 40.6 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -104.4 | 127.5 | 167.6 | -72.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 153 | K | 39.7 | Very low | 40.4 | Very low | 207 Ų | 207 | 139.1 Ų | 139.1 | 90% | 0.9 | 81% | 0.809 | S | S | * | * | trans | -62.9 | 138.3 | 180 | -62.3 | 164.8 | 178.2 | 173.6 | 0 | 110.8 | ||||
| 154 | T | 40.1 | Very low | 40.4 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -141.3 | 110.6 | 153.1 | -31.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 155 | S | 37 | Very low | 40.9 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -66.8 | 145.7 | 168.5 | 176.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 156 | I | 45 | Very low | 40.8 | Very low | 171 Ų | 171 | 140 Ų | 140 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | 163.8 | 119.7 | 137.9 | -80.5 | 149.8 | 0 | 0 | 0 | 107.7 | ||||
| 157 | G | 36.4 | Very low | 41.3 | Very low | 74 Ų | 74 | 141.9 Ų | 141.9 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 163.8 | 60.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 158 | C | 36.5 | Very low | 41.5 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | trans | -65.5 | 125.5 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 159 | F | 36.4 | Very low | 42.2 | Very low | 189 Ų | 189 | 145 Ų | 145 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -144.5 | 106 | 152.5 | -135.3 | -94.1 | 0 | 0 | 0 | 109 | ||||
| 160 | S | 36.7 | Very low | 42.5 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | trans | -100.2 | 124.5 | 176.8 | 60.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 161 | Q | 43.8 | Very low | 42.1 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -145.3 | 110.9 | 156.7 | -71.1 | -170.7 | 15.8 | 0 | 0 | 108.6 | ||||
| 162 | T | 40.1 | Very low | 42.1 | Very low | 139 Ų | 139 | 146 Ų | 146 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -141.1 | 136.7 | 156.8 | 52.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 163 | P | 43 | Very low | 41.8 | Very low | 117 Ų | 117 | 151 Ų | 151 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -112.5 | 120 | 156.7 | 31 | -18.2 | 0 | 0 | 0 | 110.6 | ||||
| 164 | N | 37.7 | Very low | 41.9 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | 25.2 | 118.3 | 137.3 | -55.7 | -36.4 | 0 | 0 | 0 | 119.4 | ||||
| 165 | T | 49.6 | Very low | 42 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -138.1 | 117.3 | 138.9 | 35.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 166 | I | 44.2 | Very low | 42.1 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | trans | -75.4 | 127.9 | -179.3 | -69.7 | 158.1 | 0 | 0 | 0 | 109.8 | ||||
| 167 | V | 49.4 | Very low | 42 | Very low | 140 Ų | 140 | 146 Ų | 146 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -95 | 115.6 | 166 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 168 | K | 47.5 | Very low | 42 | Very low | 192 Ų | 192 | 150 Ų | 150 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -82 | 131 | 169.1 | -78 | 176.6 | 174 | 175.8 | 0 | 110.1 | ||||
| 169 | K | 55.7 | Low | 42.6 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -141.4 | 125.8 | 145.5 | -93.1 | -174.2 | 178.6 | 177.1 | 0 | 108.6 | ||||
| 170 | P | 47.5 | Very low | 42.4 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -88.9 | 150.5 | 176 | 34.3 | -29.7 | 0 | 0 | 0 | 111.5 | ||||
| 171 | A | 34.9 | Very low | 42.6 | Very low | 95 Ų | 95 | 149.2 Ų | 149.2 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -85.8 | 167.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 172 | R | 38.7 | Very low | 42.1 | Very low | 236 Ų | 236 | 150.2 Ų | 150.2 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | 91.2 | 113 | 145.6 | -135.5 | 179.7 | -163.1 | -177.7 | 4.1 | 117.3 | ||||
| 173 | R | 38.3 | Very low | 42.2 | Very low | 220 Ų | 220 | 148.7 Ų | 148.7 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | 179.9 | 129.9 | 99.4 | -110.5 | 179.9 | 174.1 | 165.8 | -3 | 111.6 | |||||
| 174 | V | 40.4 | Very low | 42.1 | Very low | 134 Ų | 134 | 150 Ų | 150 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | -81.5 | 125.2 | 164.9 | -164.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 175 | N | 42.8 | Very low | 42.1 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | -118.9 | 104.1 | 171.5 | -71.4 | -13 | 0 | 0 | 0 | 107.2 | ||||
| 176 | N | 40.3 | Very low | 41.8 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -89.6 | 121.5 | 159.2 | -75.7 | -5.2 | 0 | 0 | 0 | 106.5 | ||||
| 177 | A | 42.8 | Very low | 41.5 | Very low | 91 Ų | 91 | 146.3 Ų | 146.3 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -96.8 | 114.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 178 | D | 34.8 | Very low | 41 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -63.3 | 135.3 | 155.5 | -80.2 | -39.5 | 0 | 0 | 0 | 108.9 | ||||
| 179 | C | 49.1 | Very low | 40.6 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -141.1 | 87.7 | 165.6 | -77.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 180 | D | 34.1 | Very low | 39.8 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -64.9 | 136.1 | 154.6 | -75 | -46.5 | 0 | 0 | 0 | 109.2 | ||||
| 181 | A | 38.9 | Very low | 39.6 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -136.9 | 93.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 182 | E | 34.9 | Very low | 39.7 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -67.4 | 142.6 | 158.2 | -71.2 | -179.4 | 143.6 | 0 | 0 | 110.3 | ||||
| 183 | A | 41.8 | Very low | 40.3 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -142.5 | 126.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 184 | N | 40.4 | Very low | 40.4 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -71.3 | 142.8 | -168.9 | -80 | -41.2 | 0 | 0 | 0 | 116.6 | ||||
| 185 | T | 37.7 | Very low | 40.6 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | 1.6 | 175.8 | 124.6 | 47.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 186 | P | 43.1 | Very low | 40.4 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | cis | -142.4 | -167.4 | -19.3 | 24.5 | 2.6 | 0 | 0 | 0 | 115.5 | ||||
| 187 | I | 38.4 | Very low | 40.8 | Very low | 139 Ų | 139 | 136 Ų | 136 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | 122.1 | 106.4 | 136.7 | -59.2 | -177.1 | 0 | 0 | 0 | 120 | ||||
| 188 | I | 39.3 | Very low | 41.3 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | 49.1 | 126.6 | 129.2 | -46.3 | 172.1 | 0 | 0 | 0 | 121.5 | |||||
| 189 | T | 39.6 | Very low | 42.1 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | -177.4 | 140.5 | 108.7 | 35.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 190 | V | 38.1 | Very low | 42.4 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | -82.2 | 146.6 | 174.9 | -87.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 191 | D | 42.5 | Very low | 43.7 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | 176.5 | 151.2 | 122.5 | -95.8 | -22.5 | 0 | 0 | 0 | 114 | |||||
| 192 | N | 38.7 | Very low | 44.7 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -45.8 | 157.7 | -178.7 | -66 | -31 | 0 | 0 | 0 | 115.1 | ||||
| 193 | C | 49.8 | Very low | 46 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 87% | 0.865 | 73% | 0.729 | S | S | * | * | -165.7 | 155.7 | 81.3 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 194 | E | 41.3 | Very low | 47.2 | Very low | 182 Ų | 182 | 128 Ų | 128 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | trans | -66.1 | 142 | -170.6 | -61.2 | 150.2 | 158.4 | 0 | 0 | 114.4 | ||||
| 195 | D | 43.7 | Very low | 48.8 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | -161.3 | 130.6 | 115.9 | -118.2 | -23.1 | 0 | 0 | 0 | 111.8 | |||||
| 196 | N | 39.2 | Very low | 50.6 | Low | 136 Ų | 136 | 127.7 Ų | 127.7 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -115.9 | 111.3 | -149.2 | -175 | 15 | 0 | 0 | 0 | 109.2 | ||||
| 197 | T | 49.6 | Very low | 52.2 | Low | 120 Ų | 120 | 128.8 Ų | 128.8 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 165.4 | -10 | 145.1 | 43.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 198 | N | 51.6 | Low | 54.2 | Low | 143 Ų | 143 | 129.4 Ų | 129.4 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -96.4 | -1.2 | 174.7 | -74 | -23.2 | 0 | 0 | 0 | 114.4 | ||
| 199 | N | 51.7 | Low | 56.3 | Low | 102 Ų | 102 | 125.3 Ų | 125.3 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -81.8 | -16.1 | -175.4 | -77.4 | -20.7 | 0 | 0 | 0 | 114.9 | M203 | N199-M203 WeakPolarHBondContact O-CB 3.38Å; N199-M203 PolarHBondContact O-N 2.85Å |
| 200 | I | 56.4 | Low | 58.4 | Low | 115 Ų | 115 | 124.5 Ų | 124.5 | 59% | 0.59 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.5 | -41.7 | 179.6 | -66 | 172 | 0 | 0 | 0 | 110.9 | Q204 | I200-Q204 WeakPolarHBondContact O-CB 3.4Å; I200-Q204 VanDerWaalsContact O-CG 3.26Å; I200-Q204 WeakPolarHBondContact O-CG 3.22Å; I200-Q204 PolarHBondContact O-N 3.44Å |
| 201 | S | 60.6 | Low | 60.6 | Low | 88 Ų | 88 | 122.1 Ų | 122.1 | 62% | 0.615 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.1 | -36 | 176.1 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | Q204 L205 | S201-Q204 PolarHBondContact O-N 3.43Å; S201-L205 VanDerWaalsContact O-CB 3.3Å; S201-L205 WeakPolarHBondContact O-CB 3.48Å; S201-L205 PolarHBondContact O-N 3.37Å |
| 202 | S | 61.2 | Low | 62.6 | Low | 66 Ų | 66 | 121.5 Ų | 121.5 | 46% | 0.462 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.5 | -45.6 | 172.5 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | Q204 L205 E206 | S202-Q204 PolarHBondContact O-N 2.89Å; S202-L205 PolarHBondContact O-N 2.83Å; S202-E206 VanDerWaalsContact O-CB 3.24Å; S202-E206 WeakPolarHBondContact O-CB 3.25Å; S202-E206 PolarHBondContact O-N 2.86Å |
| 203 | M | 60.6 | Low | 65 | Low | 127 Ų | 127 | 122.3 Ų | 122.3 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.3 | -32.7 | 178.2 | -163.5 | 179 | 74.6 | 0 | 0 | 112.1 | N199 M207 | N199-M203 WeakPolarHBondContact O-CB 3.38Å; N199-M203 PolarHBondContact O-N 2.85Å; M203-M207 WeakPolarHBondContact O-CB 3.28Å; M203-M207 PolarHBondContact O-N 2.96Å |
| 204 | Q | 67.5 | Low | 66.7 | Low | 115 Ų | 115 | 120.8 Ų | 120.8 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.2 | -36.7 | 171.8 | -79.2 | 179.3 | -6.1 | 0 | 0 | 113 | I200 S201 S202 M207 K208 | I200-Q204 WeakPolarHBondContact O-CB 3.4Å; I200-Q204 VanDerWaalsContact O-CG 3.26Å; I200-Q204 WeakPolarHBondContact O-CG 3.22Å; I200-Q204 PolarHBondContact O-N 3.44Å; S201-Q204 PolarHBondContact O-N 3.43Å; S202-Q204 PolarHBondContact O-N 2.89Å; Q204-M207 PolarHBondContact O-N 2.78Å; Q204-K208 WeakPolarHBondContact O-CB 3.33Å; Q204-K208 PolarHBondContact O-N 3.49Å |
| 205 | L | 73.7 | Confident | 68.9 | Low | 127 Ų | 127 | 118.9 Ų | 118.9 | 67% | 0.665 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.4 | -42 | 173 | -163 | 89.2 | 0 | 0 | 0 | 110 | S201 S202 K208 A209 | S201-L205 VanDerWaalsContact O-CB 3.3Å; S201-L205 WeakPolarHBondContact O-CB 3.48Å; S201-L205 PolarHBondContact O-N 3.37Å; S202-L205 PolarHBondContact O-N 2.83Å; L205-K208 PolarHBondContact O-N 2.9Å; L205-A209 VanDerWaalsContact O-CB 3.28Å; L205-A209 WeakPolarHBondContact O-CB 3.38Å; L205-A209 PolarHBondContact O-N 2.96Å |
| 206 | E | 75.2 | Confident | 71.1 | Confident | 131 Ų | 131 | 117.2 Ų | 117.2 | 61% | 0.612 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.9 | -37.6 | 175.2 | -168.2 | 168.7 | -160.2 | 0 | 0 | 111.6 | S202 A209 M210 | S202-E206 VanDerWaalsContact O-CB 3.24Å; S202-E206 WeakPolarHBondContact O-CB 3.25Å; S202-E206 PolarHBondContact O-N 2.86Å; E206-A209 PolarHBondContact O-N 3.37Å; E206-M210 WeakPolarHBondContact O-CB 3.38Å; E206-M210 PolarHBondContact O-N 3.35Å |
| 207 | M | 77.4 | Confident | 73.5 | Confident | 127 Ų | 127 | 113.8 Ų | 113.8 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.6 | -34.5 | 175 | -156.9 | -168.2 | 70.3 | 0 | 0 | 111.9 | M203 Q204 S211 | M203-M207 WeakPolarHBondContact O-CB 3.28Å; M203-M207 PolarHBondContact O-N 2.96Å; Q204-M207 PolarHBondContact O-N 2.78Å; M207-S211 VanDerWaalsContact O-CB 3.22Å; M207-S211 WeakPolarHBondContact O-CB 3.5Å; M207-S211 PolarHBondContact O-N 2.85Å |
| 208 | K | 80.7 | Confident | 75.3 | Confident | 153 Ų | 153 | 112.5 Ų | 112.5 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.4 | -46 | 169 | -86.4 | -176.3 | 179.3 | 176.6 | 0 | 111.4 | Q204 L205 M210 S211 E212 | Q204-K208 WeakPolarHBondContact O-CB 3.33Å; Q204-K208 PolarHBondContact O-N 3.49Å; L205-K208 PolarHBondContact O-N 2.9Å; K208-M210 VanDerWaalsContact C-N 3.29Å; K208-M210 PolarHBondContact O-N 3.27Å; K208-S211 PolarHBondContact O-N 3.29Å; K208-E212 WeakPolarHBondContact O-CB 3.46Å; K208-E212 PolarHBondContact O-N 3.04Å |
| 209 | A | 83.1 | Confident | 77.1 | Confident | 53 Ų | 53 | 108 Ų | 108 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L205 E206 R213 | L205-A209 VanDerWaalsContact O-CB 3.28Å; L205-A209 WeakPolarHBondContact O-CB 3.38Å; L205-A209 PolarHBondContact O-N 2.96Å; E206-A209 PolarHBondContact O-N 3.37Å; A209-R213 WeakPolarHBondContact O-CB 3.36Å; A209-R213 PolarHBondContact O-N 3.49Å |
| 210 | M | 83.7 | Confident | 79 | Confident | 123 Ų | 123 | 107.9 Ų | 107.9 | 61% | 0.606 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.2 | -40.1 | 174.2 | -171.7 | -179.8 | -165.5 | 0 | 0 | 111.5 | E206 K208 R213 L214 | E206-M210 WeakPolarHBondContact O-CB 3.38Å; E206-M210 PolarHBondContact O-N 3.35Å; K208-M210 VanDerWaalsContact C-N 3.29Å; K208-M210 PolarHBondContact O-N 3.27Å; M210-R213 PolarHBondContact O-N 3.48Å; M210-L214 HydrophobicContact CG-CD1 4.5Å; M210-L214 WeakPolarHBondContact O-CB 3.36Å; M210-L214 VanDerWaalsContact O-CG 3.3Å; M210-L214 WeakPolarHBondContact O-CG 3.5Å; M210-L214 PolarHBondContact O-N 3.21Å |
| 211 | S | 83.6 | Confident | 80.6 | Confident | 72 Ų | 72 | 106.7 Ų | 106.7 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.7 | -42.5 | 174.6 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | M207 K208 L214 M215 | M207-S211 VanDerWaalsContact O-CB 3.22Å; M207-S211 WeakPolarHBondContact O-CB 3.5Å; M207-S211 PolarHBondContact O-N 2.85Å; K208-S211 PolarHBondContact O-N 3.29Å; S211-L214 PolarHBondContact O-N 2.98Å; S211-M215 WeakPolarHBondContact O-CB 3.31Å; S211-M215 PolarHBondContact O-N 3.45Å |
| 212 | E | 85.4 | Confident | 82 | Confident | 143 Ų | 143 | 105.9 Ų | 105.9 | 67% | 0.668 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 173.7 | -172.5 | 170.8 | -164.9 | 0 | 0 | 110.9 | K208 L214 M215 E216 | K208-E212 WeakPolarHBondContact O-CB 3.46Å; K208-E212 PolarHBondContact O-N 3.04Å; E212-L214 VanDerWaalsContact C-N 3.35Å; E212-L214 PolarHBondContact O-N 2.96Å; E212-M215 PolarHBondContact O-N 3.1Å; E212-E216 WeakPolarHBondContact O-CB 3.49Å; E212-E216 PolarHBondContact O-N 2.86Å |
| 213 | R | 89.8 | Confident | 83.5 | Confident | 164 Ų | 164 | 105.8 Ų | 105.8 | 62% | 0.619 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -39.1 | 172.3 | -173.4 | 72.5 | -178.6 | -175.2 | 3.9 | 112.1 | A209 M210 L217 | A209-R213 WeakPolarHBondContact O-CB 3.36Å; A209-R213 PolarHBondContact O-N 3.49Å; M210-R213 PolarHBondContact O-N 3.48Å; R213-L217 HydrophobicContact CG-CD1 4.11Å; R213-L217 VanDerWaalsContact O-CB 3.23Å; R213-L217 WeakPolarHBondContact O-CB 3.22Å; R213-L217 VanDerWaalsContact O-CG 3.22Å; R213-L217 WeakPolarHBondContact O-CG 3.34Å; R213-L217 PolarHBondContact O-N 3.42Å |
| 214 | L | 85.4 | Confident | 85 | Confident | 96 Ų | 96 | 104 Ų | 104 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 174.8 | -79.8 | 171.8 | 0 | 0 | 0 | 111.2 | M210 S211 E212 T218 | M210-L214 HydrophobicContact CG-CD1 4.5Å; M210-L214 WeakPolarHBondContact O-CB 3.36Å; M210-L214 VanDerWaalsContact O-CG 3.3Å; M210-L214 WeakPolarHBondContact O-CG 3.5Å; M210-L214 PolarHBondContact O-N 3.21Å; S211-L214 PolarHBondContact O-N 2.98Å; E212-L214 VanDerWaalsContact C-N 3.35Å; E212-L214 PolarHBondContact O-N 2.96Å; L214-T218 WeakPolarHBondContact O-CB 3.43Å; L214-T218 PolarHBondContact O-N 3.34Å; L214-T218 PolarHBondContact O-OG1 2.93Å |
| 215 | M | 85.9 | Confident | 86.1 | Confident | 142 Ų | 142 | 107.6 Ų | 107.6 | 70% | 0.7 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -43.1 | 176 | -171.7 | 175.9 | -86.3 | 0 | 0 | 111 | S211 E212 T218 A219 | S211-M215 WeakPolarHBondContact O-CB 3.31Å; S211-M215 PolarHBondContact O-N 3.45Å; E212-M215 PolarHBondContact O-N 3.1Å; M215-T218 WeakPolarHBondContact O-CB 3.36Å; M215-T218 PolarHBondContact O-N 3.08Å; M215-A219 WeakPolarHBondContact O-CB 3.44Å; M215-A219 PolarHBondContact O-N 3.4Å |
| 216 | E | 89.8 | Confident | 87 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 56% | 0.556 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 173.8 | -178.6 | 59.7 | -149.6 | 0 | 0 | 111.3 | E212 T218 A219 Q220 | E212-E216 WeakPolarHBondContact O-CB 3.49Å; E212-E216 PolarHBondContact O-N 2.86Å; E216-T218 VanDerWaalsContact C-N 3.26Å; E216-T218 PolarHBondContact O-N 2.8Å; E216-A219 CarbonylContact O-C 3.6Å; E216-A219 PolarHBondContact O-N 3.39Å; E216-Q220 VanDerWaalsContact O-CB 3.28Å; E216-Q220 WeakPolarHBondContact O-CB 3.43Å; E216-Q220 PolarHBondContact O-N 2.83Å |
| 217 | L | 89.8 | Confident | 88 | Confident | 63 Ų | 63 | 102.7 Ų | 102.7 | 33% | 0.33 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -33 | 174.1 | -77.2 | 169.6 | 0 | 0 | 0 | 111.7 | R213 N221 | R213-L217 HydrophobicContact CG-CD1 4.11Å; R213-L217 VanDerWaalsContact O-CB 3.23Å; R213-L217 WeakPolarHBondContact O-CB 3.22Å; R213-L217 VanDerWaalsContact O-CG 3.22Å; R213-L217 WeakPolarHBondContact O-CG 3.34Å; R213-L217 PolarHBondContact O-N 3.42Å; L217-N221 VanDerWaalsContact O-CB 3.24Å; L217-N221 WeakPolarHBondContact O-CB 3.38Å; L217-N221 PolarHBondContact O-N 2.9Å; L217-N221 PolarHBondContact O-ND2 2.96Å |
| 218 | T | 88.5 | Confident | 88.6 | Confident | 93 Ų | 93 | 100.6 Ų | 100.6 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.8 | -41.7 | 175.3 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | L214 M215 E216 N221 S222 | L214-T218 WeakPolarHBondContact O-CB 3.43Å; L214-T218 PolarHBondContact O-N 3.34Å; L214-T218 PolarHBondContact O-OG1 2.93Å; M215-T218 WeakPolarHBondContact O-CB 3.36Å; M215-T218 PolarHBondContact O-N 3.08Å; E216-T218 VanDerWaalsContact C-N 3.26Å; E216-T218 PolarHBondContact O-N 2.8Å; T218-N221 PolarHBondContact O-N 3.5Å; T218-S222 WeakPolarHBondContact O-CB 3.44Å; T218-S222 PolarHBondContact O-N 3.38Å; T218-S222 PolarHBondContact O-OG 3.43Å |
| 219 | A | 89.2 | Confident | 89.2 | Confident | 48 Ų | 48 | 99.4 Ų | 99.4 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | M215 E216 S222 A223 | M215-A219 WeakPolarHBondContact O-CB 3.44Å; M215-A219 PolarHBondContact O-N 3.4Å; E216-A219 CarbonylContact O-C 3.6Å; E216-A219 PolarHBondContact O-N 3.39Å; A219-S222 WeakPolarHBondContact CA-OG 3.33Å; A219-S222 PolarHBondContact O-N 3.49Å; A219-S222 PolarHBondContact O-OG 3.3Å; A219-A223 VanDerWaalsContact O-CB 3.25Å; A219-A223 WeakPolarHBondContact O-CB 3.35Å; A219-A223 PolarHBondContact O-N 2.98Å |
| 220 | Q | 91.9 | Very high | 89.8 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 174.9 | -171 | 179.5 | 39.8 | 0 | 0 | 110.9 | E216 A223 L224 | E216-Q220 VanDerWaalsContact O-CB 3.28Å; E216-Q220 WeakPolarHBondContact O-CB 3.43Å; E216-Q220 PolarHBondContact O-N 2.83Å; Q220-A223 PolarHBondContact O-N 3Å; Q220-L224 HydrophobicContact CG-CD1 4.22Å; Q220-L224 VanDerWaalsContact O-CB 3.32Å; Q220-L224 WeakPolarHBondContact O-CB 3.42Å; Q220-L224 VanDerWaalsContact O-CG 3.26Å; Q220-L224 WeakPolarHBondContact O-CG 3.47Å; Q220-L224 PolarHBondContact O-N 3.35Å |
| 221 | N | 88.8 | Confident | 90.3 | Very high | 90 Ų | 90 | 102.2 Ų | 102.2 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 174.5 | -85 | -64.7 | 0 | 0 | 0 | 112.1 | L217 T218 L224 R225 | L217-N221 VanDerWaalsContact O-CB 3.24Å; L217-N221 WeakPolarHBondContact O-CB 3.38Å; L217-N221 PolarHBondContact O-N 2.9Å; L217-N221 PolarHBondContact O-ND2 2.96Å; T218-N221 PolarHBondContact O-N 3.5Å; N221-L224 PolarHBondContact O-N 2.98Å; N221-R225 WeakPolarHBondContact O-CB 3.32Å; N221-R225 VanDerWaalsContact O-CG 3.25Å; N221-R225 WeakPolarHBondContact O-CG 3.49Å; N221-R225 PolarHBondContact O-N 3.44Å |
| 222 | S | 90.3 | Very high | 90.8 | Very high | 71 Ų | 71 | 102.4 Ų | 102.4 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 175.5 | 71.1 | 0 | 0 | 0 | 0 | 111.5 | T218 A219 R225 G226 | T218-S222 WeakPolarHBondContact O-CB 3.44Å; T218-S222 PolarHBondContact O-N 3.38Å; T218-S222 PolarHBondContact O-OG 3.43Å; A219-S222 WeakPolarHBondContact CA-OG 3.33Å; A219-S222 PolarHBondContact O-N 3.49Å; A219-S222 PolarHBondContact O-OG 3.3Å; S222-R225 PolarHBondContact O-N 2.91Å; S222-G226 PolarHBondContact O-N 3.23Å |
| 223 | A | 92.3 | Very high | 91.2 | Very high | 64 Ų | 64 | 100.1 Ų | 100.1 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A219 Q220 G226 K227 | A219-A223 VanDerWaalsContact O-CB 3.25Å; A219-A223 WeakPolarHBondContact O-CB 3.35Å; A219-A223 PolarHBondContact O-N 2.98Å; Q220-A223 PolarHBondContact O-N 3Å; A223-G226 PolarHBondContact O-N 3.47Å; A223-K227 WeakPolarHBondContact O-CB 3.22Å; A223-K227 PolarHBondContact O-N 2.84Å |
| 224 | L | 92.4 | Very high | 91.5 | Very high | 89 Ų | 89 | 100.5 Ų | 100.5 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 173.8 | -76.1 | 171.8 | 0 | 0 | 0 | 111.4 | Q220 N221 K227 C228 | Q220-L224 HydrophobicContact CG-CD1 4.22Å; Q220-L224 VanDerWaalsContact O-CB 3.32Å; Q220-L224 WeakPolarHBondContact O-CB 3.42Å; Q220-L224 VanDerWaalsContact O-CG 3.26Å; Q220-L224 WeakPolarHBondContact O-CG 3.47Å; Q220-L224 PolarHBondContact O-N 3.35Å; N221-L224 PolarHBondContact O-N 2.98Å; L224-K227 PolarHBondContact O-N 3.23Å; L224-C228 WeakPolarHBondContact O-CB 3.33Å; L224-C228 PolarHBondContact O-N 2.96Å; L224-C228 PolarHBondContact O-SG 3.07Å |
| 225 | R | 92.3 | Very high | 91.9 | Very high | 190 Ų | 190 | 99 Ų | 99 | 72% | 0.717 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 173.6 | -78.2 | 177.9 | -179.1 | -150.1 | 1.1 | 111.8 | N221 S222 K227 C228 E229 | N221-R225 WeakPolarHBondContact O-CB 3.32Å; N221-R225 VanDerWaalsContact O-CG 3.25Å; N221-R225 WeakPolarHBondContact O-CG 3.49Å; N221-R225 PolarHBondContact O-N 3.44Å; S222-R225 PolarHBondContact O-N 2.91Å; R225-K227 VanDerWaalsContact C-N 3.33Å; R225-K227 PolarHBondContact O-N 2.91Å; R225-C228 WeakPolarHBondContact O-CB 3.48Å; R225-C228 PolarHBondContact O-N 3.24Å; R225-E229 WeakPolarHBondContact O-CB 3.46Å; R225-E229 PolarHBondContact O-N 3.41Å |
| 226 | G | 92.5 | Very high | 92.3 | Very high | 27 Ų | 27 | 95.5 Ų | 95.5 | 28% | 0.278 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S222 A223 C228 E229 E230 | S222-G226 PolarHBondContact O-N 3.23Å; A223-G226 PolarHBondContact O-N 3.47Å; G226-C228 PolarHBondContact O-N 3.2Å; G226-E229 PolarHBondContact O-N 3.32Å; G226-E230 WeakPolarHBondContact O-CB 3.3Å; G226-E230 WeakPolarHBondContact O-CG 3.39Å; G226-E230 PolarHBondContact O-N 3.48Å |
| 227 | K | 94.4 | Very high | 92.6 | Very high | 129 Ų | 129 | 91.6 Ų | 91.6 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.5 | -39.9 | 175.1 | -171.3 | 174.8 | -177.6 | 177.6 | 0 | 112.7 | A223 L224 R225 E229 L231 | A223-K227 WeakPolarHBondContact O-CB 3.22Å; A223-K227 PolarHBondContact O-N 2.84Å; L224-K227 PolarHBondContact O-N 3.23Å; R225-K227 VanDerWaalsContact C-N 3.33Å; R225-K227 PolarHBondContact O-N 2.91Å; K227-E229 VanDerWaalsContact C-N 3.35Å; K227-L231 HydrophobicContact CG-CD1 4.21Å; K227-L231 WeakPolarHBondContact O-CB 3.45Å; K227-L231 VanDerWaalsContact O-CG 3.22Å; K227-L231 WeakPolarHBondContact O-CG 3.19Å; K227-L231 PolarHBondContact O-N 2.95Å |
| 228 | C | 91.7 | Very high | 92.9 | Very high | 82 Ų | 82 | 92 Ų | 92 | 55% | 0.554 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 174.4 | -75.6 | 0 | 0 | 0 | 0 | 111.4 | L224 R225 G226 S232 | L224-C228 WeakPolarHBondContact O-CB 3.33Å; L224-C228 PolarHBondContact O-N 2.96Å; L224-C228 PolarHBondContact O-SG 3.07Å; R225-C228 WeakPolarHBondContact O-CB 3.48Å; R225-C228 PolarHBondContact O-N 3.24Å; G226-C228 PolarHBondContact O-N 3.2Å; C228-S232 VanDerWaalsContact O-CB 3.25Å; C228-S232 WeakPolarHBondContact O-CB 3.4Å; C228-S232 PolarHBondContact O-N 3.25Å |
| 229 | E | 93.4 | Very high | 93.2 | Very high | 129 Ų | 129 | 88.9 Ų | 88.9 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.1 | -44.1 | 176.5 | -173.2 | 173.3 | -175.3 | 0 | 0 | 111.6 | R225 G226 K227 L231 S232 N233 | R225-E229 WeakPolarHBondContact O-CB 3.46Å; R225-E229 PolarHBondContact O-N 3.41Å; G226-E229 PolarHBondContact O-N 3.32Å; K227-E229 VanDerWaalsContact C-N 3.35Å; E229-L231 PolarHBondContact O-N 3.32Å; E229-S232 WeakPolarHBondContact O-CB 3.45Å; E229-S232 PolarHBondContact O-N 3.46Å; E229-N233 WeakPolarHBondContact O-CB 3.36Å; E229-N233 VanDerWaalsContact O-CG 3.23Å; E229-N233 PolarHBondContact O-N 2.92Å; E229-N233 PolarHBondContact O-ND2 3.41Å |
| 230 | E | 94.2 | Very high | 93.6 | Very high | 140 Ų | 140 | 92.5 Ų | 92.5 | 65% | 0.654 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.6 | -44.7 | 173.6 | -76.4 | 178.2 | -171.8 | 0 | 0 | 112.4 | G226 S232 N233 R234 | G226-E230 WeakPolarHBondContact O-CB 3.3Å; G226-E230 WeakPolarHBondContact O-CG 3.39Å; G226-E230 PolarHBondContact O-N 3.48Å; E230-S232 VanDerWaalsContact C-N 3.34Å; E230-N233 PolarHBondContact O-N 2.9Å; E230-R234 WeakPolarHBondContact O-CB 3.44Å; E230-R234 PolarHBondContact O-N 3.27Å |
| 231 | L | 94.4 | Very high | 93.8 | Very high | 95 Ų | 95 | 93.4 Ų | 93.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.9 | -73.9 | 172.9 | 0 | 0 | 0 | 111.5 | K227 E229 R234 A235 | K227-L231 HydrophobicContact CG-CD1 4.21Å; K227-L231 WeakPolarHBondContact O-CB 3.45Å; K227-L231 VanDerWaalsContact O-CG 3.22Å; K227-L231 WeakPolarHBondContact O-CG 3.19Å; K227-L231 PolarHBondContact O-N 2.95Å; E229-L231 PolarHBondContact O-N 3.32Å; L231-R234 PolarHBondContact O-N 3Å; L231-A235 VanDerWaalsContact O-CB 3.28Å; L231-A235 WeakPolarHBondContact O-CB 3.43Å; L231-A235 PolarHBondContact O-N 3.46Å |
| 232 | S | 93.8 | Very high | 94.1 | Very high | 76 Ų | 76 | 94.4 Ų | 94.4 | 53% | 0.531 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 174.5 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | C228 E229 E230 A235 S236 | C228-S232 VanDerWaalsContact O-CB 3.25Å; C228-S232 WeakPolarHBondContact O-CB 3.4Å; C228-S232 PolarHBondContact O-N 3.25Å; E229-S232 WeakPolarHBondContact O-CB 3.45Å; E229-S232 PolarHBondContact O-N 3.46Å; E230-S232 VanDerWaalsContact C-N 3.34Å; S232-A235 PolarHBondContact O-N 3.23Å; S232-S236 WeakPolarHBondContact O-CB 3.41Å; S232-S236 PolarHBondContact O-N 3.01Å |
| 233 | N | 94.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 97.5 Ų | 97.5 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 177.2 | -72.1 | -21.8 | 0 | 0 | 0 | 111.6 | E229 E230 S236 A237 | E229-N233 WeakPolarHBondContact O-CB 3.36Å; E229-N233 VanDerWaalsContact O-CG 3.23Å; E229-N233 PolarHBondContact O-N 2.92Å; E229-N233 PolarHBondContact O-ND2 3.41Å; E230-N233 PolarHBondContact O-N 2.9Å; N233-S236 PolarHBondContact O-N 2.93Å; N233-A237 WeakPolarHBondContact O-CB 3.39Å; N233-A237 PolarHBondContact O-N 3.3Å |
| 234 | R | 95.5 | Very high | 94.7 | Very high | 171 Ų | 171 | 100.4 Ų | 100.4 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 174.4 | 179.3 | 172.6 | -84.2 | 153.8 | -4.1 | 111.5 | E230 L231 S236 A237 D238 | E230-R234 WeakPolarHBondContact O-CB 3.44Å; E230-R234 PolarHBondContact O-N 3.27Å; L231-R234 PolarHBondContact O-N 3Å; R234-S236 VanDerWaalsContact C-N 3.31Å; R234-S236 PolarHBondContact O-N 3.28Å; R234-A237 PolarHBondContact O-N 2.98Å; R234-D238 PolarHBondContact O-N 3.4Å |
| 235 | A | 94.7 | Very high | 94.9 | Very high | 65 Ų | 65 | 101.1 Ų | 101.1 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L231 S232 G239 | L231-A235 VanDerWaalsContact O-CB 3.28Å; L231-A235 WeakPolarHBondContact O-CB 3.43Å; L231-A235 PolarHBondContact O-N 3.46Å; S232-A235 PolarHBondContact O-N 3.23Å; A235-G239 PolarHBondContact O-N 3.33Å |
| 236 | S | 94.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 95.8 Ų | 95.8 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 174.3 | -174.4 | 0 | 0 | 0 | 0 | 112 | S232 N233 R234 D238 G239 Q240 | S232-S236 WeakPolarHBondContact O-CB 3.41Å; S232-S236 PolarHBondContact O-N 3.01Å; N233-S236 PolarHBondContact O-N 2.93Å; R234-S236 VanDerWaalsContact C-N 3.31Å; R234-S236 PolarHBondContact O-N 3.28Å; S236-D238 PolarHBondContact O-N 2.94Å; S236-G239 WeakPolarHBondContact O-CA 3.38Å; S236-G239 PolarHBondContact O-N 3.06Å; S236-Q240 WeakPolarHBondContact O-CG 3.47Å; S236-Q240 PolarHBondContact O-N 3.17Å |
| 237 | A | 95.7 | Very high | 95.4 | Very high | 38 Ų | 38 | 99.6 Ų | 99.6 | 31% | 0.314 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N233 R234 G239 Q240 K241 | N233-A237 WeakPolarHBondContact O-CB 3.39Å; N233-A237 PolarHBondContact O-N 3.3Å; R234-A237 PolarHBondContact O-N 2.98Å; A237-G239 VanDerWaalsContact C-N 3.34Å; A237-Q240 PolarHBondContact O-N 3.39Å; A237-K241 WeakPolarHBondContact O-CG 3.35Å; A237-K241 PolarHBondContact O-N 2.92Å |
| 238 | D | 95.4 | Very high | 95.5 | Very high | 71 Ų | 71 | 97.3 Ų | 97.3 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.8 | -33.6 | 175.1 | -69.4 | -20.6 | 0 | 0 | 0 | 111.4 | R234 S236 K241 L242 | R234-D238 PolarHBondContact O-N 3.4Å; S236-D238 PolarHBondContact O-N 2.94Å; D238-K241 PolarHBondContact O-N 2.94Å; D238-K241 IonicContact OD1-NZ 3.84Å; D238-K241 PolarHBondContact OD1-NZ 3.47Å; D238-L242 WeakPolarHBondContact O-CB 2.84Å; D238-L242 VanDerWaalsContact O-CG 3.31Å; D238-L242 WeakPolarHBondContact O-CG 3.45Å; D238-L242 PolarHBondContact O-N 3.32Å |
| 239 | G | 95.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 98.5 Ų | 98.5 | 29% | 0.289 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113 | A235 S236 A237 L242 Q243 | A235-G239 PolarHBondContact O-N 3.33Å; S236-G239 WeakPolarHBondContact O-CA 3.38Å; S236-G239 PolarHBondContact O-N 3.06Å; A237-G239 VanDerWaalsContact C-N 3.34Å; G239-L242 PolarHBondContact O-N 2.92Å; G239-Q243 WeakPolarHBondContact O-CG 3.4Å; G239-Q243 PolarHBondContact O-N 2.96Å |
| 240 | Q | 95.9 | Very high | 96 | Very high | 123 Ų | 123 | 97.6 Ų | 97.6 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 175 | -71.8 | 178.3 | -19.3 | 0 | 0 | 112.3 | S236 A237 L242 Q243 E244 | S236-Q240 WeakPolarHBondContact O-CG 3.47Å; S236-Q240 PolarHBondContact O-N 3.17Å; A237-Q240 PolarHBondContact O-N 3.39Å; Q240-L242 VanDerWaalsContact C-N 3.33Å; Q240-L242 PolarHBondContact O-N 3.47Å; Q240-Q243 WeakPolarHBondContact O-CB 3.28Å; Q240-Q243 PolarHBondContact O-N 3.44Å; Q240-E244 PolarHBondContact O-N 3.35Å |
| 241 | K | 95.8 | Very high | 96.2 | Very high | 121 Ų | 121 | 96.7 Ų | 96.7 | 53% | 0.526 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 175.4 | -68.1 | 171.8 | -166.3 | 159.4 | 0 | 112.4 | A237 D238 Q243 E244 M245 | A237-K241 WeakPolarHBondContact O-CG 3.35Å; A237-K241 PolarHBondContact O-N 2.92Å; D238-K241 PolarHBondContact O-N 2.94Å; D238-K241 IonicContact OD1-NZ 3.84Å; D238-K241 PolarHBondContact OD1-NZ 3.47Å; K241-Q243 VanDerWaalsContact C-N 3.33Å; K241-E244 PolarHBondContact O-N 3Å; K241-M245 WeakPolarHBondContact O-CB 3.38Å; K241-M245 PolarHBondContact O-N 3.45Å |
| 242 | L | 96.9 | Very high | 96.3 | Very high | 110 Ų | 110 | 99.3 Ų | 99.3 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -37.8 | 175.2 | -74 | 172.4 | 0 | 0 | 0 | 111.6 | D238 G239 Q240 M245 D246 | D238-L242 WeakPolarHBondContact O-CB 2.84Å; D238-L242 VanDerWaalsContact O-CG 3.31Å; D238-L242 WeakPolarHBondContact O-CG 3.45Å; D238-L242 PolarHBondContact O-N 3.32Å; G239-L242 PolarHBondContact O-N 2.92Å; Q240-L242 VanDerWaalsContact C-N 3.33Å; Q240-L242 PolarHBondContact O-N 3.47Å; L242-M245 HydrophobicContact CD2-CE 3.97Å; L242-M245 PolarHBondContact O-N 3.26Å; L242-D246 WeakPolarHBondContact O-CB 3.16Å; L242-D246 PolarHBondContact O-N 3.03Å |
| 243 | Q | 96.7 | Very high | 96.5 | Very high | 137 Ų | 137 | 101.9 Ų | 101.9 | 64% | 0.64 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | 173.6 | -73.2 | 175.7 | -9.8 | 0 | 0 | 112.3 | G239 Q240 K241 D246 L247 | G239-Q243 WeakPolarHBondContact O-CG 3.4Å; G239-Q243 PolarHBondContact O-N 2.96Å; Q240-Q243 WeakPolarHBondContact O-CB 3.28Å; Q240-Q243 PolarHBondContact O-N 3.44Å; K241-Q243 VanDerWaalsContact C-N 3.33Å; Q243-D246 PolarHBondContact O-N 3.26Å; Q243-L247 PolarHBondContact O-N 3.36Å |
| 244 | E | 96.8 | Very high | 96.7 | Very high | 124 Ų | 124 | 99.9 Ų | 99.9 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 175.2 | -173.6 | 177.7 | -172.8 | 0 | 0 | 111.3 | Q240 K241 D246 L247 I248 | Q240-E244 PolarHBondContact O-N 3.35Å; K241-E244 PolarHBondContact O-N 3Å; E244-D246 PolarHBondContact O-N 3.1Å; E244-L247 WeakPolarHBondContact O-CB 3.36Å; E244-L247 PolarHBondContact O-N 3.44Å; E244-I248 HydrophobicContact CG-CD1 4.22Å; E244-I248 WeakPolarHBondContact O-CG1 3.3Å; E244-I248 PolarHBondContact O-N 3.35Å |
| 245 | M | 97.1 | Very high | 96.8 | Very high | 104 Ų | 104 | 94.5 Ų | 94.5 | 51% | 0.512 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 176 | -175.4 | 157 | 61 | 0 | 0 | 112.5 | K241 L242 L247 I248 L249 | K241-M245 WeakPolarHBondContact O-CB 3.38Å; K241-M245 PolarHBondContact O-N 3.45Å; L242-M245 HydrophobicContact CD2-CE 3.97Å; L242-M245 PolarHBondContact O-N 3.26Å; M245-L247 VanDerWaalsContact C-N 3.33Å; M245-I248 PolarHBondContact O-N 3.15Å; M245-L249 HydrophobicContact CG-CD1 4.26Å; M245-L249 HydrophobicContact CG-CG 4.45Å; M245-L249 WeakPolarHBondContact O-CB 3.43Å; M245-L249 WeakPolarHBondContact O-CG 3.32Å; M245-L249 PolarHBondContact O-N 3.05Å |
| 246 | D | 97.5 | Very high | 96.9 | Very high | 79 Ų | 79 | 95.1 Ų | 95.1 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 173.7 | 179 | 69.5 | 0 | 0 | 0 | 111.7 | L242 Q243 E244 L249 K250 | L242-D246 WeakPolarHBondContact O-CB 3.16Å; L242-D246 PolarHBondContact O-N 3.03Å; Q243-D246 PolarHBondContact O-N 3.26Å; E244-D246 PolarHBondContact O-N 3.1Å; D246-L249 PolarHBondContact O-N 3.3Å; D246-K250 VanDerWaalsContact O-CG 3.32Å; D246-K250 WeakPolarHBondContact O-CG 3.36Å; D246-K250 PolarHBondContact O-N 2.88Å; D246-K250 IonicContact OD1-NZ 3.74Å; D246-K250 VanDerWaalsContact OD2-CE 3.22Å; D246-K250 WeakPolarHBondContact OD2-CE 3.3Å; D246-K250 IonicContact OD2-NZ 2.64Å; D246-K250 PolarHBondContact OD2-NZ 2.99Å |
| 247 | L | 97.3 | Very high | 97.1 | Very high | 107 Ų | 107 | 95 Ų | 95 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.7 | -46.7 | 174.4 | -173.6 | 65.8 | 0 | 0 | 0 | 111.5 | Q243 E244 M245 L249 K250 E251 | Q243-L247 PolarHBondContact O-N 3.36Å; E244-L247 WeakPolarHBondContact O-CB 3.36Å; E244-L247 PolarHBondContact O-N 3.44Å; M245-L247 VanDerWaalsContact C-N 3.33Å; L247-L249 VanDerWaalsContact C-N 3.35Å; L247-L249 PolarHBondContact O-N 2.87Å; L247-K250 WeakPolarHBondContact O-CB 3.32Å; L247-K250 PolarHBondContact O-N 2.95Å; L247-E251 PolarHBondContact O-N 3.15Å |
| 248 | I | 97.5 | Very high | 97.2 | Very high | 81 Ų | 81 | 99 Ų | 99 | 42% | 0.415 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 177.3 | -68 | 167 | 0 | 0 | 0 | 111.1 | E244 M245 K250 E251 Y252 | E244-I248 HydrophobicContact CG-CD1 4.22Å; E244-I248 WeakPolarHBondContact O-CG1 3.3Å; E244-I248 PolarHBondContact O-N 3.35Å; M245-I248 PolarHBondContact O-N 3.15Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 2.94Å; I248-E251 PolarHBondContact O-N 3.14Å; I248-Y252 HydrophobicContact CG2-CD2 3.58Å; I248-Y252 HydrophobicContact CG2-CE2 3.37Å; I248-Y252 WeakPolarHBondContact O-CD2 3.38Å; I248-Y252 PolarHBondContact O-N 3.26Å |
| 249 | L | 97.7 | Very high | 97.3 | Very high | 106 Ų | 106 | 100.8 Ų | 100.8 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -38.8 | 177.4 | -75.2 | 173.7 | 0 | 0 | 0 | 112.2 | M245 D246 L247 Y252 E253 | M245-L249 HydrophobicContact CG-CD1 4.26Å; M245-L249 HydrophobicContact CG-CG 4.45Å; M245-L249 WeakPolarHBondContact O-CB 3.43Å; M245-L249 WeakPolarHBondContact O-CG 3.32Å; M245-L249 PolarHBondContact O-N 3.05Å; D246-L249 PolarHBondContact O-N 3.3Å; L247-L249 VanDerWaalsContact C-N 3.35Å; L247-L249 PolarHBondContact O-N 2.87Å; L249-Y252 PolarHBondContact O-N 3.29Å; L249-E253 WeakPolarHBondContact O-CB 3.48Å; L249-E253 PolarHBondContact O-N 3.39Å |
| 250 | K | 97.8 | Very high | 97.4 | Very high | 111 Ų | 111 | 106.5 Ų | 106.5 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.4 | -76.7 | 167.5 | 177.4 | 163.6 | 0 | 112.3 | D246 L247 I248 E253 A254 | D246-K250 VanDerWaalsContact O-CG 3.32Å; D246-K250 WeakPolarHBondContact O-CG 3.36Å; D246-K250 PolarHBondContact O-N 2.88Å; D246-K250 IonicContact OD1-NZ 3.74Å; D246-K250 VanDerWaalsContact OD2-CE 3.22Å; D246-K250 WeakPolarHBondContact OD2-CE 3.3Å; D246-K250 IonicContact OD2-NZ 2.64Å; D246-K250 PolarHBondContact OD2-NZ 2.99Å; L247-K250 WeakPolarHBondContact O-CB 3.32Å; L247-K250 PolarHBondContact O-N 2.95Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 2.94Å; K250-E253 PolarHBondContact O-N 3.42Å; K250-A254 WeakPolarHBondContact O-CB 3.46Å; K250-A254 PolarHBondContact O-N 3.13Å |
| 251 | E | 97.5 | Very high | 97.4 | Very high | 120 Ų | 120 | 103.6 Ų | 103.6 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 175 | -69.7 | -61.3 | 150.8 | 0 | 0 | 111.9 | L247 I248 A254 T255 | L247-E251 PolarHBondContact O-N 3.15Å; I248-E251 PolarHBondContact O-N 3.14Å; E251-A254 PolarHBondContact O-N 3.28Å; E251-T255 WeakPolarHBondContact O-CB 3.28Å; E251-T255 PolarHBondContact O-N 2.66Å; E251-T255 PolarHBondContact O-OG1 3.21Å |
| 252 | Y | 98.2 | Very high | 97.5 | Very high | 150 Ų | 150 | 102.6 Ų | 102.6 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 173.2 | -80.7 | -62 | 0 | 0 | 0 | 112.4 | I248 L249 A254 T255 I256 | I248-Y252 HydrophobicContact CG2-CD2 3.58Å; I248-Y252 HydrophobicContact CG2-CE2 3.37Å; I248-Y252 WeakPolarHBondContact O-CD2 3.38Å; I248-Y252 PolarHBondContact O-N 3.26Å; L249-Y252 PolarHBondContact O-N 3.29Å; Y252-A254 VanDerWaalsContact C-N 3.35Å; Y252-T255 PolarHBondContact O-N 2.91Å; Y252-I256 WeakPolarHBondContact O-CB 3.38Å; Y252-I256 WeakPolarHBondContact O-CD1 3.42Å; Y252-I256 WeakPolarHBondContact O-CG1 3.36Å; Y252-I256 PolarHBondContact O-N 3.49Å |
| 253 | E | 97.8 | Very high | 97.5 | Very high | 131 Ų | 131 | 101.2 Ų | 101.2 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 175.8 | -174.8 | 176.5 | -168.3 | 0 | 0 | 111.4 | L249 K250 I256 S257 | L249-E253 WeakPolarHBondContact O-CB 3.48Å; L249-E253 PolarHBondContact O-N 3.39Å; K250-E253 PolarHBondContact O-N 3.42Å; E253-I256 PolarHBondContact O-N 3Å; E253-S257 WeakPolarHBondContact O-CB 3.45Å; E253-S257 PolarHBondContact O-N 3.5Å; E253-S257 PolarHBondContact O-OG 3.36Å |
| 254 | A | 97.8 | Very high | 97.6 | Very high | 52 Ų | 52 | 97.4 Ų | 97.4 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K250 E251 Y252 I256 S257 E258 | K250-A254 WeakPolarHBondContact O-CB 3.46Å; K250-A254 PolarHBondContact O-N 3.13Å; E251-A254 PolarHBondContact O-N 3.28Å; Y252-A254 VanDerWaalsContact C-N 3.35Å; A254-I256 PolarHBondContact O-N 3.46Å; A254-S257 PolarHBondContact O-N 3.49Å; A254-E258 WeakPolarHBondContact O-CB 3.42Å; A254-E258 PolarHBondContact O-N 3.36Å |
| 255 | T | 97.8 | Very high | 97.6 | Very high | 59 Ų | 59 | 94.9 Ų | 94.9 | 36% | 0.362 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 178.5 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | E251 Y252 S257 E258 M259 | E251-T255 WeakPolarHBondContact O-CB 3.28Å; E251-T255 PolarHBondContact O-N 2.66Å; E251-T255 PolarHBondContact O-OG1 3.21Å; Y252-T255 PolarHBondContact O-N 2.91Å; T255-S257 VanDerWaalsContact C-N 3.33Å; T255-S257 PolarHBondContact O-N 2.97Å; T255-E258 PolarHBondContact O-N 3.25Å; T255-M259 HydrophobicContact CG2-CE 3.8Å; T255-M259 WeakPolarHBondContact O-CB 3.47Å; T255-M259 WeakPolarHBondContact O-CG 3.44Å; T255-M259 PolarHBondContact O-N 3.18Å |
| 256 | I | 97.7 | Very high | 97.6 | Very high | 77 Ų | 77 | 96 Ų | 96 | 40% | 0.395 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 177.1 | -69.5 | 165.1 | 0 | 0 | 0 | 110.8 | Y252 E253 A254 M259 K260 | Y252-I256 WeakPolarHBondContact O-CB 3.38Å; Y252-I256 WeakPolarHBondContact O-CD1 3.42Å; Y252-I256 WeakPolarHBondContact O-CG1 3.36Å; Y252-I256 PolarHBondContact O-N 3.49Å; E253-I256 PolarHBondContact O-N 3Å; A254-I256 PolarHBondContact O-N 3.46Å; I256-M259 HydrophobicContact CG1-CE 4.21Å; I256-M259 PolarHBondContact O-N 3.21Å; I256-K260 HydrophobicContact CG2-CD 4.18Å; I256-K260 WeakPolarHBondContact O-CB 3.31Å; I256-K260 VanDerWaalsContact O-CG 3.3Å; I256-K260 WeakPolarHBondContact O-CG 3.49Å; I256-K260 PolarHBondContact O-N 3.09Å |
| 257 | S | 97.7 | Very high | 97.6 | Very high | 66 Ų | 66 | 98.3 Ų | 98.3 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 178 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | E253 A254 T255 K260 S261 | E253-S257 WeakPolarHBondContact O-CB 3.45Å; E253-S257 PolarHBondContact O-N 3.5Å; E253-S257 PolarHBondContact O-OG 3.36Å; A254-S257 PolarHBondContact O-N 3.49Å; T255-S257 VanDerWaalsContact C-N 3.33Å; T255-S257 PolarHBondContact O-N 2.97Å; S257-K260 PolarHBondContact O-N 3.45Å; S257-S261 WeakPolarHBondContact O-CB 3.11Å; S257-S261 PolarHBondContact O-N 2.88Å |
| 258 | E | 97.6 | Very high | 97.7 | Very high | 122 Ų | 122 | 98.4 Ų | 98.4 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -50.2 | 173.1 | -176.5 | 177.3 | -167.7 | 0 | 0 | 111 | A254 T255 K260 S261 L262 | A254-E258 WeakPolarHBondContact O-CB 3.42Å; A254-E258 PolarHBondContact O-N 3.36Å; T255-E258 PolarHBondContact O-N 3.25Å; E258-K260 VanDerWaalsContact C-N 3.32Å; E258-K260 PolarHBondContact O-N 2.91Å; E258-S261 WeakPolarHBondContact O-CB 3.43Å; E258-S261 PolarHBondContact O-N 3.39Å; E258-S261 VanDerWaalsContact O-N 3.1Å; E258-L262 HydrophobicContact CG-CD1 3.92Å; E258-L262 HydrophobicContact CG-CG 4.22Å; E258-L262 WeakPolarHBondContact O-CB 3.38Å; E258-L262 WeakPolarHBondContact O-CG 3.33Å; E258-L262 PolarHBondContact O-N 3.28Å |
| 259 | M | 97.8 | Very high | 97.7 | Very high | 108 Ų | 108 | 101.4 Ų | 101.4 | 53% | 0.532 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 178 | -76.8 | -170.2 | -71.6 | 0 | 0 | 112.4 | T255 I256 L262 S263 | T255-M259 HydrophobicContact CG2-CE 3.8Å; T255-M259 WeakPolarHBondContact O-CB 3.47Å; T255-M259 WeakPolarHBondContact O-CG 3.44Å; T255-M259 PolarHBondContact O-N 3.18Å; I256-M259 HydrophobicContact CG1-CE 4.21Å; I256-M259 PolarHBondContact O-N 3.21Å; M259-L262 PolarHBondContact O-N 3.33Å; M259-S263 VanDerWaalsContact O-CB 3.28Å; M259-S263 WeakPolarHBondContact O-CB 3.3Å; M259-S263 PolarHBondContact O-N 3.32Å |
| 260 | K | 97.7 | Very high | 97.7 | Very high | 148 Ų | 148 | 99.3 Ų | 99.3 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -43.6 | 174.9 | -76.9 | 175.2 | -179.8 | 176.4 | 0 | 111.9 | I256 S257 E258 S264 | I256-K260 HydrophobicContact CG2-CD 4.18Å; I256-K260 WeakPolarHBondContact O-CB 3.31Å; I256-K260 VanDerWaalsContact O-CG 3.3Å; I256-K260 WeakPolarHBondContact O-CG 3.49Å; I256-K260 PolarHBondContact O-N 3.09Å; S257-K260 PolarHBondContact O-N 3.45Å; E258-K260 VanDerWaalsContact C-N 3.32Å; E258-K260 PolarHBondContact O-N 2.91Å; K260-S264 WeakPolarHBondContact O-CB 3.43Å; K260-S264 PolarHBondContact O-N 3.2Å |
| 261 | S | 97.2 | Very high | 97.7 | Very high | 62 Ų | 62 | 98.8 Ų | 98.8 | 43% | 0.434 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | S257 E258 S263 S264 N265 | S257-S261 WeakPolarHBondContact O-CB 3.11Å; S257-S261 PolarHBondContact O-N 2.88Å; E258-S261 WeakPolarHBondContact O-CB 3.43Å; E258-S261 PolarHBondContact O-N 3.39Å; E258-S261 VanDerWaalsContact O-N 3.1Å; S261-S263 PolarHBondContact O-N 3.33Å; S261-S264 PolarHBondContact O-N 3.38Å; S261-N265 WeakPolarHBondContact O-CB 3.32Å; S261-N265 VanDerWaalsContact O-CG 3.26Å; S261-N265 PolarHBondContact O-N 3.44Å; S261-N265 PolarHBondContact O-ND2 3.46Å |
| 262 | L | 97.8 | Very high | 97.8 | Very high | 100 Ų | 100 | 99.5 Ų | 99.5 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 176.7 | -72 | 175.9 | 0 | 0 | 0 | 111.8 | E258 M259 N265 H266 | E258-L262 HydrophobicContact CG-CD1 3.92Å; E258-L262 HydrophobicContact CG-CG 4.22Å; E258-L262 WeakPolarHBondContact O-CB 3.38Å; E258-L262 WeakPolarHBondContact O-CG 3.33Å; E258-L262 PolarHBondContact O-N 3.28Å; M259-L262 PolarHBondContact O-N 3.33Å; L262-N265 PolarHBondContact O-N 3.04Å; L262-H266 VanDerWaalsContact O-CB 3.3Å; L262-H266 WeakPolarHBondContact O-CB 3.41Å; L262-H266 PolarHBondContact O-N 2.98Å |
| 263 | S | 97.2 | Very high | 97.8 | Very high | 81 Ų | 81 | 95.7 Ų | 95.7 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -44.9 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | M259 S261 H266 K267 | M259-S263 VanDerWaalsContact O-CB 3.28Å; M259-S263 WeakPolarHBondContact O-CB 3.3Å; M259-S263 PolarHBondContact O-N 3.32Å; S261-S263 PolarHBondContact O-N 3.33Å; S263-H266 PolarHBondContact O-N 3.18Å; S263-K267 WeakPolarHBondContact O-CB 3.1Å; S263-K267 PolarHBondContact O-N 3.45Å |
| 264 | S | 97.2 | Very high | 97.8 | Very high | 57 Ų | 57 | 94 Ų | 94 | 40% | 0.399 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | K260 S261 K268 | K260-S264 WeakPolarHBondContact O-CB 3.43Å; K260-S264 PolarHBondContact O-N 3.2Å; S261-S264 PolarHBondContact O-N 3.38Å; S264-K268 WeakPolarHBondContact O-CG 3.37Å; S264-K268 PolarHBondContact O-N 3.31Å; S264-K268 VanDerWaalsContact O-N 3.08Å |
| 265 | N | 97.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 95.9 Ų | 95.9 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 178 | -72.4 | -30 | 0 | 0 | 0 | 111.6 | S261 L262 K268 K269 | S261-N265 WeakPolarHBondContact O-CB 3.32Å; S261-N265 VanDerWaalsContact O-CG 3.26Å; S261-N265 PolarHBondContact O-N 3.44Å; S261-N265 PolarHBondContact O-ND2 3.46Å; L262-N265 PolarHBondContact O-N 3.04Å; N265-K268 PolarHBondContact O-N 3.26Å; N265-K269 WeakPolarHBondContact O-CG 3.49Å; N265-K269 PolarHBondContact O-N 3.5Å |
| 266 | H | 97.7 | Very high | 97.8 | Very high | 128 Ų | 128 | 95.7 Ų | 95.7 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 174.1 | -177.8 | 68.9 | 0 | 0 | 0 | 111.1 | L262 S263 K268 K269 V270 | L262-H266 VanDerWaalsContact O-CB 3.3Å; L262-H266 WeakPolarHBondContact O-CB 3.41Å; L262-H266 PolarHBondContact O-N 2.98Å; S263-H266 PolarHBondContact O-N 3.18Å; H266-K268 PolarHBondContact O-N 3.06Å; H266-K269 PolarHBondContact O-N 3.08Å; H266-V270 WeakPolarHBondContact O-CG2 3.39Å; H266-V270 PolarHBondContact O-N 3.05Å |
| 267 | K | 97.9 | Very high | 97.9 | Very high | 128 Ų | 128 | 96.1 Ų | 96.1 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -55.5 | -48.7 | 174.4 | 179.8 | 176.6 | 170.1 | 177.5 | 0 | 111.7 | S263 K269 V270 E271 | S263-K267 WeakPolarHBondContact O-CB 3.1Å; S263-K267 PolarHBondContact O-N 3.45Å; K267-K269 PolarHBondContact O-N 3.24Å; K267-V270 PolarHBondContact O-N 3.38Å; K267-E271 WeakPolarHBondContact CE-OE1 3.41Å; K267-E271 IonicContact NZ-OE1 3.7Å; K267-E271 WeakPolarHBondContact O-CG 3.36Å; K267-E271 PolarHBondContact O-N 2.94Å |
| 268 | K | 98 | Very high | 97.9 | Very high | 109 Ų | 109 | 95.6 Ų | 95.6 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 176.9 | -73.9 | 177.6 | -179.8 | -179.2 | 0 | 112.7 | S264 N265 H266 V270 E271 E272 | S264-K268 WeakPolarHBondContact O-CG 3.37Å; S264-K268 PolarHBondContact O-N 3.31Å; S264-K268 VanDerWaalsContact O-N 3.08Å; N265-K268 PolarHBondContact O-N 3.26Å; H266-K268 PolarHBondContact O-N 3.06Å; K268-V270 VanDerWaalsContact C-N 3.3Å; K268-V270 PolarHBondContact O-N 3.03Å; K268-E271 PolarHBondContact O-N 3.43Å; K268-E272 WeakPolarHBondContact O-CB 3.46Å; K268-E272 WeakPolarHBondContact O-CG 3.28Å; K268-E272 PolarHBondContact O-N 3.43Å |
| 269 | K | 98.1 | Very high | 97.9 | Very high | 143 Ų | 143 | 95.2 Ų | 95.2 | 62% | 0.622 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -37.6 | 177.1 | -73.9 | 178 | 179.6 | -175.7 | 0 | 112.6 | N265 H266 K267 S273 | N265-K269 WeakPolarHBondContact O-CG 3.49Å; N265-K269 PolarHBondContact O-N 3.5Å; H266-K269 PolarHBondContact O-N 3.08Å; K267-K269 PolarHBondContact O-N 3.24Å; K269-S273 WeakPolarHBondContact O-CB 3.39Å; K269-S273 PolarHBondContact O-N 3.15Å |
| 270 | V | 97.8 | Very high | 98 | Very high | 62 Ų | 62 | 95.8 Ų | 95.8 | 38% | 0.376 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | H266 K267 K268 S273 I274 | H266-V270 WeakPolarHBondContact O-CG2 3.39Å; H266-V270 PolarHBondContact O-N 3.05Å; K267-V270 PolarHBondContact O-N 3.38Å; K268-V270 VanDerWaalsContact C-N 3.3Å; K268-V270 PolarHBondContact O-N 3.03Å; V270-S273 PolarHBondContact O-N 2.84Å; V270-I274 HydrophobicContact CG1-CD1 3.82Å; V270-I274 HydrophobicContact CG1-CG1 4.44Å; V270-I274 VanDerWaalsContact O-CG1 3.28Å; V270-I274 WeakPolarHBondContact O-CG1 3.43Å; V270-I274 PolarHBondContact O-N 3.19Å |
| 271 | E | 98.2 | Very high | 98 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 175.1 | -72.4 | 170 | 168.4 | 0 | 0 | 111.9 | K267 K268 S273 I274 E275 | K267-E271 WeakPolarHBondContact CE-OE1 3.41Å; K267-E271 IonicContact NZ-OE1 3.7Å; K267-E271 WeakPolarHBondContact O-CG 3.36Å; K267-E271 PolarHBondContact O-N 2.94Å; K268-E271 PolarHBondContact O-N 3.43Å; E271-S273 PolarHBondContact O-N 3Å; E271-I274 PolarHBondContact O-N 2.86Å; E271-E275 WeakPolarHBondContact O-CB 3.47Å; E271-E275 PolarHBondContact O-N 3.44Å |
| 272 | E | 98.1 | Very high | 98.1 | Very high | 134 Ų | 134 | 94.9 Ų | 94.9 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 174.8 | -73.8 | 168.3 | -174.6 | 0 | 0 | 112.3 | K268 E275 S276 | K268-E272 WeakPolarHBondContact O-CB 3.46Å; K268-E272 WeakPolarHBondContact O-CG 3.28Å; K268-E272 PolarHBondContact O-N 3.43Å; E272-E275 PolarHBondContact O-N 3.15Å; E272-S276 PolarHBondContact O-N 2.9Å |
| 273 | S | 98.2 | Very high | 98.1 | Very high | 71 Ų | 71 | 94.7 Ų | 94.7 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | K269 V270 E271 E275 S276 V277 | K269-S273 WeakPolarHBondContact O-CB 3.39Å; K269-S273 PolarHBondContact O-N 3.15Å; V270-S273 PolarHBondContact O-N 2.84Å; E271-S273 PolarHBondContact O-N 3Å; S273-E275 VanDerWaalsContact C-N 3.34Å; S273-E275 PolarHBondContact O-N 3.46Å; S273-S276 PolarHBondContact O-N 3.01Å; S273-V277 WeakPolarHBondContact O-CG2 3.5Å; S273-V277 PolarHBondContact O-N 3.43Å |
| 274 | I | 98.4 | Very high | 98.2 | Very high | 94 Ų | 94 | 93.5 Ų | 93.5 | 48% | 0.482 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 176 | -70.8 | 167.5 | 0 | 0 | 0 | 110.5 | V270 E271 S276 V277 I278 | V270-I274 HydrophobicContact CG1-CD1 3.82Å; V270-I274 HydrophobicContact CG1-CG1 4.44Å; V270-I274 VanDerWaalsContact O-CG1 3.28Å; V270-I274 WeakPolarHBondContact O-CG1 3.43Å; V270-I274 PolarHBondContact O-N 3.19Å; E271-I274 PolarHBondContact O-N 2.86Å; I274-S276 VanDerWaalsContact C-N 3.34Å; I274-S276 PolarHBondContact O-N 3.28Å; I274-V277 PolarHBondContact O-N 3.49Å; I274-I278 HydrophobicContact CG2-CD1 3.72Å; I274-I278 HydrophobicContact CG2-CG1 4.4Å; I274-I278 WeakPolarHBondContact O-CB 3.43Å; I274-I278 VanDerWaalsContact O-CG1 3.3Å; I274-I278 WeakPolarHBondContact O-CG1 3.48Å; I274-I278 PolarHBondContact O-N 3.19Å |
| 275 | E | 98.3 | Very high | 98.2 | Very high | 92 Ų | 92 | 94.3 Ų | 94.3 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 178 | -175.2 | 62.6 | -158.1 | 0 | 0 | 112.1 | E271 E272 S273 I278 K279 | E271-E275 WeakPolarHBondContact O-CB 3.47Å; E271-E275 PolarHBondContact O-N 3.44Å; E272-E275 PolarHBondContact O-N 3.15Å; S273-E275 VanDerWaalsContact C-N 3.34Å; S273-E275 PolarHBondContact O-N 3.46Å; E275-I278 PolarHBondContact O-N 3.36Å; E275-K279 WeakPolarHBondContact O-CG 3.44Å; E275-K279 PolarHBondContact O-N 3.31Å; E275-K279 WeakPolarHBondContact OE1-CE 3.36Å; E275-K279 IonicContact OE1-NZ 3.32Å |
| 276 | S | 98.3 | Very high | 98.3 | Very high | 56 Ų | 56 | 95.5 Ų | 95.5 | 39% | 0.392 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 174.3 | -164.3 | 0 | 0 | 0 | 0 | 111.6 | E272 S273 I274 I278 K279 E280 | E272-S276 PolarHBondContact O-N 2.9Å; S273-S276 PolarHBondContact O-N 3.01Å; I274-S276 VanDerWaalsContact C-N 3.34Å; I274-S276 PolarHBondContact O-N 3.28Å; S276-I278 VanDerWaalsContact C-N 3.31Å; S276-I278 PolarHBondContact O-N 3.45Å; S276-K279 PolarHBondContact O-N 2.95Å; S276-E280 WeakPolarHBondContact O-CG 3.42Å; S276-E280 PolarHBondContact O-N 2.97Å; S276-E280 PolarHBondContact OG-OE1 3.47Å |
| 277 | V | 98.3 | Very high | 98.3 | Very high | 85 Ų | 85 | 95 Ų | 95 | 52% | 0.515 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 179.9 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | S273 I274 E280 R281 | S273-V277 WeakPolarHBondContact O-CG2 3.5Å; S273-V277 PolarHBondContact O-N 3.43Å; I274-V277 PolarHBondContact O-N 3.49Å; V277-E280 PolarHBondContact O-N 2.96Å; V277-R281 WeakPolarHBondContact O-CB 3.46Å; V277-R281 PolarHBondContact O-N 2.58Å |
| 278 | I | 98.5 | Very high | 98.3 | Very high | 55 Ų | 55 | 93.4 Ų | 93.4 | 28% | 0.282 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 174.2 | -78.3 | 171.3 | 0 | 0 | 0 | 110.9 | I274 E275 S276 R281 D282 | I274-I278 HydrophobicContact CG2-CD1 3.72Å; I274-I278 HydrophobicContact CG2-CG1 4.4Å; I274-I278 WeakPolarHBondContact O-CB 3.43Å; I274-I278 VanDerWaalsContact O-CG1 3.3Å; I274-I278 WeakPolarHBondContact O-CG1 3.48Å; I274-I278 PolarHBondContact O-N 3.19Å; E275-I278 PolarHBondContact O-N 3.36Å; S276-I278 VanDerWaalsContact C-N 3.31Å; S276-I278 PolarHBondContact O-N 3.45Å; I278-R281 WeakPolarHBondContact O-CB 3.26Å; I278-R281 PolarHBondContact O-N 3.26Å; I278-D282 VanDerWaalsContact O-CG 3.27Å; I278-D282 PolarHBondContact O-N 2.85Å |
| 279 | K | 98.4 | Very high | 98.4 | Very high | 115 Ų | 115 | 93 Ų | 93 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.5 | -73.3 | 173 | -177.8 | 167.9 | 0 | 112.5 | E275 S276 R281 D282 N283 | E275-K279 WeakPolarHBondContact O-CG 3.44Å; E275-K279 PolarHBondContact O-N 3.31Å; E275-K279 WeakPolarHBondContact OE1-CE 3.36Å; E275-K279 IonicContact OE1-NZ 3.32Å; S276-K279 PolarHBondContact O-N 2.95Å; K279-R281 VanDerWaalsContact C-N 3.34Å; K279-D282 PolarHBondContact O-N 3.44Å; K279-N283 WeakPolarHBondContact O-CB 3.41Å; K279-N283 PolarHBondContact O-N 3.4Å; K279-N283 PolarHBondContact O-ND2 2.98Å |
| 280 | E | 98.4 | Very high | 98.4 | Very high | 120 Ų | 120 | 88.7 Ų | 88.7 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 176.3 | -73.5 | 169.9 | -149.1 | 0 | 0 | 111.7 | S276 V277 A284 | S276-E280 WeakPolarHBondContact O-CG 3.42Å; S276-E280 PolarHBondContact O-N 2.97Å; S276-E280 PolarHBondContact OG-OE1 3.47Å; V277-E280 PolarHBondContact O-N 2.96Å; E280-A284 WeakPolarHBondContact O-CB 3.4Å; E280-A284 PolarHBondContact O-N 3.25Å |
| 281 | R | 98.6 | Very high | 98.4 | Very high | 127 Ų | 127 | 88.1 Ų | 88.1 | 48% | 0.479 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 173.4 | 177.8 | -150 | 62.3 | -155.5 | -4 | 111.3 | V277 I278 K279 A284 I285 | V277-R281 WeakPolarHBondContact O-CB 3.46Å; V277-R281 PolarHBondContact O-N 2.58Å; I278-R281 WeakPolarHBondContact O-CB 3.26Å; I278-R281 PolarHBondContact O-N 3.26Å; K279-R281 VanDerWaalsContact C-N 3.34Å; R281-A284 PolarHBondContact O-N 3.05Å; R281-I285 HydrophobicContact CG-CD1 3.94Å; R281-I285 WeakPolarHBondContact O-CG1 3.44Å; R281-I285 PolarHBondContact O-N 3.43Å |
| 282 | D | 98.6 | Very high | 98.4 | Very high | 63 Ų | 63 | 88.8 Ų | 88.8 | 34% | 0.337 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | -177.3 | -68.9 | -16.4 | 0 | 0 | 0 | 111.4 | I278 K279 A284 I285 D286 | I278-D282 VanDerWaalsContact O-CG 3.27Å; I278-D282 PolarHBondContact O-N 2.85Å; K279-D282 PolarHBondContact O-N 3.44Å; D282-A284 VanDerWaalsContact C-N 3.33Å; D282-A284 PolarHBondContact O-N 3.26Å; D282-I285 PolarHBondContact O-N 3.48Å; D282-D286 PolarHBondContact O-N 3.48Å |
| 283 | N | 98.3 | Very high | 98.4 | Very high | 97 Ų | 97 | 87.9 Ų | 87.9 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 172.1 | -67.8 | -19.9 | 0 | 0 | 0 | 111.9 | K279 I285 D286 D287 | K279-N283 WeakPolarHBondContact O-CB 3.41Å; K279-N283 PolarHBondContact O-N 3.4Å; K279-N283 PolarHBondContact O-ND2 2.98Å; N283-I285 VanDerWaalsContact C-N 3.32Å; N283-I285 PolarHBondContact O-N 2.98Å; N283-D286 PolarHBondContact O-N 3.47Å; N283-D287 PolarHBondContact O-N 3.16Å |
| 284 | A | 98.4 | Very high | 98.4 | Very high | 56 Ų | 56 | 89 Ų | 89 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.7 | -32.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | E280 R281 D282 L288 | E280-A284 WeakPolarHBondContact O-CB 3.4Å; E280-A284 PolarHBondContact O-N 3.25Å; R281-A284 PolarHBondContact O-N 3.05Å; D282-A284 VanDerWaalsContact C-N 3.33Å; D282-A284 PolarHBondContact O-N 3.26Å; A284-L288 VanDerWaalsContact O-CB 3.31Å; A284-L288 WeakPolarHBondContact O-CB 3.3Å; A284-L288 PolarHBondContact O-N 3Å |
| 285 | I | 98.6 | Very high | 98.4 | Very high | 74 Ų | 74 | 89.2 Ų | 89.2 | 38% | 0.379 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.1 | -44.9 | 173.2 | -70.3 | 166.7 | 0 | 0 | 0 | 110.2 | R281 D282 N283 L288 Q289 | R281-I285 HydrophobicContact CG-CD1 3.94Å; R281-I285 WeakPolarHBondContact O-CG1 3.44Å; R281-I285 PolarHBondContact O-N 3.43Å; D282-I285 PolarHBondContact O-N 3.48Å; N283-I285 VanDerWaalsContact C-N 3.32Å; N283-I285 PolarHBondContact O-N 2.98Å; I285-L288 PolarHBondContact O-N 3.47Å; I285-Q289 WeakPolarHBondContact O-CG 3.49Å; I285-Q289 PolarHBondContact O-N 2.9Å |
| 286 | D | 98.6 | Very high | 98.4 | Very high | 95 Ų | 95 | 86.9 Ų | 86.9 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.9 | -72.2 | -13.6 | 0 | 0 | 0 | 111.4 | D282 N283 L288 Q289 A290 | D282-D286 PolarHBondContact O-N 3.48Å; N283-D286 PolarHBondContact O-N 3.47Å; D286-L288 VanDerWaalsContact C-N 3.34Å; D286-L288 PolarHBondContact O-N 2.82Å; D286-Q289 PolarHBondContact O-N 3.21Å; D286-A290 WeakPolarHBondContact O-CB 3.36Å; D286-A290 PolarHBondContact O-N 3.44Å |
| 287 | D | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 88.9 Ų | 88.9 | 63% | 0.631 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62 | -40.9 | 175.3 | -75.6 | -20.4 | 0 | 0 | 0 | 112 | N283 A290 A291 | N283-D287 PolarHBondContact O-N 3.16Å; D287-A290 PolarHBondContact O-N 3.06Å; D287-A291 PolarHBondContact O-N 2.88Å |
| 288 | L | 98.5 | Very high | 98.5 | Very high | 95 Ų | 95 | 90.1 Ų | 90.1 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 176.3 | -173.7 | 158.7 | 0 | 0 | 0 | 110.8 | A284 I285 D286 A290 A291 E292 | A284-L288 VanDerWaalsContact O-CB 3.31Å; A284-L288 WeakPolarHBondContact O-CB 3.3Å; A284-L288 PolarHBondContact O-N 3Å; I285-L288 PolarHBondContact O-N 3.47Å; D286-L288 VanDerWaalsContact C-N 3.34Å; D286-L288 PolarHBondContact O-N 2.82Å; L288-A290 VanDerWaalsContact C-N 3.29Å; L288-A290 PolarHBondContact O-N 3.09Å; L288-A291 WeakPolarHBondContact O-CB 3.43Å; L288-A291 PolarHBondContact O-N 3.07Å; L288-A291 VanDerWaalsContact O-N 3.15Å; L288-E292 HydrophobicContact CD2-CG 3.85Å; L288-E292 VanDerWaalsContact CD2-OE1 3.32Å; L288-E292 WeakPolarHBondContact CD2-OE1 3.18Å; L288-E292 WeakPolarHBondContact O-CG 3.31Å; L288-E292 PolarHBondContact O-N 3.38Å |
| 289 | Q | 98.4 | Very high | 98.5 | Very high | 101 Ų | 101 | 92.3 Ų | 92.3 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 176.2 | -72.4 | -179.5 | 0 | 0 | 0 | 111.7 | I285 D286 E292 N293 | I285-Q289 WeakPolarHBondContact O-CG 3.49Å; I285-Q289 PolarHBondContact O-N 2.9Å; D286-Q289 PolarHBondContact O-N 3.21Å; Q289-E292 PolarHBondContact O-N 3.06Å; Q289-N293 WeakPolarHBondContact O-CB 3.39Å; Q289-N293 VanDerWaalsContact O-CG 3.24Å; Q289-N293 PolarHBondContact O-N 3.38Å; Q289-N293 PolarHBondContact O-ND2 3.33Å |
| 290 | A | 98.4 | Very high | 98.5 | Very high | 51 Ų | 51 | 94.3 Ų | 94.3 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D286 D287 L288 N293 V294 | D286-A290 WeakPolarHBondContact O-CB 3.36Å; D286-A290 PolarHBondContact O-N 3.44Å; D287-A290 PolarHBondContact O-N 3.06Å; L288-A290 VanDerWaalsContact C-N 3.29Å; L288-A290 PolarHBondContact O-N 3.09Å; A290-N293 PolarHBondContact O-N 3.02Å; A290-V294 WeakPolarHBondContact O-CG2 3.39Å; A290-V294 PolarHBondContact O-N 3.48Å; A290-V294 VanDerWaalsContact O-N 3.1Å |
| 291 | A | 98.6 | Very high | 98.5 | Very high | 51 Ų | 51 | 95 Ų | 95 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D287 L288 N293 V294 I295 | D287-A291 PolarHBondContact O-N 2.88Å; L288-A291 WeakPolarHBondContact O-CB 3.43Å; L288-A291 PolarHBondContact O-N 3.07Å; L288-A291 VanDerWaalsContact O-N 3.15Å; A291-N293 VanDerWaalsContact C-N 3.33Å; A291-N293 PolarHBondContact O-N 3.22Å; A291-V294 PolarHBondContact O-N 2.86Å; A291-I295 VanDerWaalsContact O-CG1 3.3Å; A291-I295 WeakPolarHBondContact O-CG1 3.34Å; A291-I295 PolarHBondContact O-N 3.17Å |
| 292 | E | 98.5 | Very high | 98.5 | Very high | 115 Ų | 115 | 94.4 Ų | 94.4 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 175.5 | -73.9 | -179.5 | 153.7 | 0 | 0 | 112 | L288 Q289 I295 A296 | L288-E292 HydrophobicContact CD2-CG 3.85Å; L288-E292 VanDerWaalsContact CD2-OE1 3.32Å; L288-E292 WeakPolarHBondContact CD2-OE1 3.18Å; L288-E292 WeakPolarHBondContact O-CG 3.31Å; L288-E292 PolarHBondContact O-N 3.38Å; Q289-E292 PolarHBondContact O-N 3.06Å; E292-I295 PolarHBondContact O-N 3.38Å; E292-A296 WeakPolarHBondContact O-CB 3.36Å; E292-A296 PolarHBondContact O-N 3.42Å |
| 293 | N | 98.4 | Very high | 98.5 | Very high | 114 Ų | 114 | 96 Ų | 96 | 61% | 0.61 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 176.1 | -75.2 | -36.5 | 0 | 0 | 0 | 112.1 | Q289 A290 A291 A296 E297 | Q289-N293 WeakPolarHBondContact O-CB 3.39Å; Q289-N293 VanDerWaalsContact O-CG 3.24Å; Q289-N293 PolarHBondContact O-N 3.38Å; Q289-N293 PolarHBondContact O-ND2 3.33Å; A290-N293 PolarHBondContact O-N 3.02Å; A291-N293 VanDerWaalsContact C-N 3.33Å; A291-N293 PolarHBondContact O-N 3.22Å; N293-A296 PolarHBondContact O-N 2.99Å; N293-E297 PolarHBondContact O-N 3.05Å |
| 294 | V | 98.4 | Very high | 98.5 | Very high | 95 Ų | 95 | 97.9 Ų | 97.9 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 176 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | A290 A291 E297 L298 | A290-V294 WeakPolarHBondContact O-CG2 3.39Å; A290-V294 PolarHBondContact O-N 3.48Å; A290-V294 VanDerWaalsContact O-N 3.1Å; A291-V294 PolarHBondContact O-N 2.86Å; V294-E297 PolarHBondContact O-N 3.43Å; V294-L298 WeakPolarHBondContact O-CB 3.5Å; V294-L298 PolarHBondContact O-N 2.81Å |
| 295 | I | 98.4 | Very high | 98.5 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 176.5 | -69.1 | 165.7 | 0 | 0 | 0 | 110.5 | A291 E292 E297 L298 L299 | A291-I295 VanDerWaalsContact O-CG1 3.3Å; A291-I295 WeakPolarHBondContact O-CG1 3.34Å; A291-I295 PolarHBondContact O-N 3.17Å; E292-I295 PolarHBondContact O-N 3.38Å; I295-E297 VanDerWaalsContact C-N 3.3Å; I295-E297 PolarHBondContact O-N 2.93Å; I295-L298 PolarHBondContact O-N 3.01Å; I295-L299 HydrophobicContact CG2-CD1 4.13Å; I295-L299 HydrophobicContact CG2-CG 4.44Å; I295-L299 WeakPolarHBondContact O-CG 3.33Å; I295-L299 PolarHBondContact O-N 3.46Å |
| 296 | A | 98.4 | Very high | 98.5 | Very high | 44 Ų | 44 | 105 Ų | 105 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E292 N293 K300 | E292-A296 WeakPolarHBondContact O-CB 3.36Å; E292-A296 PolarHBondContact O-N 3.42Å; N293-A296 PolarHBondContact O-N 2.99Å; A296-K300 WeakPolarHBondContact O-CG 3.25Å; A296-K300 PolarHBondContact O-N 3.11Å |
| 297 | E | 98.5 | Very high | 98.5 | Very high | 98 Ų | 98 | 103.6 Ų | 103.6 | 46% | 0.458 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 173.8 | -169.2 | 179.6 | 176.9 | 0 | 0 | 112.1 | N293 V294 I295 L299 K300 R301 | N293-E297 PolarHBondContact O-N 3.05Å; V294-E297 PolarHBondContact O-N 3.43Å; I295-E297 VanDerWaalsContact C-N 3.3Å; I295-E297 PolarHBondContact O-N 2.93Å; E297-L299 VanDerWaalsContact C-N 3.34Å; E297-L299 PolarHBondContact O-N 3Å; E297-K300 PolarHBondContact O-N 3.03Å; E297-R301 WeakPolarHBondContact O-CG 3.34Å; E297-R301 PolarHBondContact O-N 2.94Å; E297-R301 IonicContact OE1-CZ 2.82Å; E297-R301 VanDerWaalsContact OE1-CZ 3.28Å; E297-R301 IonicContact OE1-NE 3.23Å; E297-R301 PolarHBondContact OE1-NE 3.33Å; E297-R301 IonicContact OE1-NH2 3.93Å; E297-R301 PolarHBondContact OE1-NH2 3.39Å |
| 298 | L | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 101.1 Ų | 101.1 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | 177.5 | -179 | 61.3 | 0 | 0 | 0 | 111.7 | V294 I295 R301 F302 | V294-L298 WeakPolarHBondContact O-CB 3.5Å; V294-L298 PolarHBondContact O-N 2.81Å; I295-L298 PolarHBondContact O-N 3.01Å; L298-R301 PolarHBondContact O-N 3.48Å; L298-F302 WeakPolarHBondContact O-CB 3.37Å; L298-F302 PolarHBondContact O-N 3.24Å |
| 299 | L | 98.4 | Very high | 98.5 | Very high | 101 Ų | 101 | 99.5 Ų | 99.5 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 176 | -71.4 | 173.1 | 0 | 0 | 0 | 111.6 | I295 E297 R301 F302 D303 | I295-L299 HydrophobicContact CG2-CD1 4.13Å; I295-L299 HydrophobicContact CG2-CG 4.44Å; I295-L299 WeakPolarHBondContact O-CG 3.33Å; I295-L299 PolarHBondContact O-N 3.46Å; E297-L299 VanDerWaalsContact C-N 3.34Å; E297-L299 PolarHBondContact O-N 3Å; L299-R301 VanDerWaalsContact C-N 3.31Å; L299-R301 PolarHBondContact O-N 3.31Å; L299-F302 WeakPolarHBondContact O-CB 3.47Å; L299-F302 PolarHBondContact O-N 2.9Å; L299-F302 VanDerWaalsContact O-N 3.15Å; L299-D303 PolarHBondContact O-N 3.22Å |
| 300 | K | 98.6 | Very high | 98.5 | Very high | 157 Ų | 157 | 97.2 Ų | 97.2 | 68% | 0.683 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.7 | -41.6 | 174.7 | -72.8 | 173.8 | -177.4 | 173.7 | 0 | 112.2 | A296 E297 K304 | A296-K300 WeakPolarHBondContact O-CG 3.25Å; A296-K300 PolarHBondContact O-N 3.11Å; E297-K300 PolarHBondContact O-N 3.03Å; K300-K304 PolarHBondContact O-N 3.42Å; K300-K304 VanDerWaalsContact O-N 3.15Å |
| 301 | R | 98.4 | Very high | 98.5 | Very high | 136 Ų | 136 | 98.8 Ų | 98.8 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 176.3 | -70.4 | 176.7 | -177.1 | -167.3 | 2.5 | 111.4 | E297 L298 L299 K304 L305 | E297-R301 WeakPolarHBondContact O-CG 3.34Å; E297-R301 PolarHBondContact O-N 2.94Å; E297-R301 IonicContact OE1-CZ 2.82Å; E297-R301 VanDerWaalsContact OE1-CZ 3.28Å; E297-R301 IonicContact OE1-NE 3.23Å; E297-R301 PolarHBondContact OE1-NE 3.33Å; E297-R301 IonicContact OE1-NH2 3.93Å; E297-R301 PolarHBondContact OE1-NH2 3.39Å; L298-R301 PolarHBondContact O-N 3.48Å; L299-R301 VanDerWaalsContact C-N 3.31Å; L299-R301 PolarHBondContact O-N 3.31Å; R301-K304 PolarHBondContact O-N 2.91Å; R301-L305 WeakPolarHBondContact O-CB 3.4Å; R301-L305 PolarHBondContact O-N 3.49Å |
| 302 | F | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 101.5 Ų | 101.5 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 177.5 | -176.3 | -95.1 | 0 | 0 | 0 | 112 | L298 L299 K304 L305 R306 | L298-F302 WeakPolarHBondContact O-CB 3.37Å; L298-F302 PolarHBondContact O-N 3.24Å; L299-F302 WeakPolarHBondContact O-CB 3.47Å; L299-F302 PolarHBondContact O-N 2.9Å; L299-F302 VanDerWaalsContact O-N 3.15Å; F302-K304 VanDerWaalsContact C-N 3.34Å; F302-K304 PolarHBondContact O-N 3.3Å; F302-L305 PolarHBondContact O-N 3.23Å; F302-R306 WeakPolarHBondContact O-CB 3.2Å; F302-R306 PolarHBondContact O-N 2.89Å |
| 303 | D | 98.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 102.2 Ų | 102.2 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 177.2 | -74.9 | -27.7 | 0 | 0 | 0 | 111.9 | L299 R306 S307 | L299-D303 PolarHBondContact O-N 3.22Å; D303-R306 PolarHBondContact O-N 3.33Å; D303-S307 PolarHBondContact O-N 3.07Å |
| 304 | K | 98.5 | Very high | 98.5 | Very high | 137 Ų | 137 | 102.9 Ų | 102.9 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 173.7 | -175.2 | 178.3 | 179.9 | 179.8 | 0 | 112.3 | K300 R301 F302 S307 T308 | K300-K304 PolarHBondContact O-N 3.42Å; K300-K304 VanDerWaalsContact O-N 3.15Å; R301-K304 PolarHBondContact O-N 2.91Å; F302-K304 VanDerWaalsContact C-N 3.34Å; F302-K304 PolarHBondContact O-N 3.3Å; K304-S307 PolarHBondContact O-N 3.16Å; K304-T308 PolarHBondContact O-N 3.45Å; K304-T308 PolarHBondContact O-OG1 3.02Å |
| 305 | L | 98.5 | Very high | 98.5 | Very high | 105 Ų | 105 | 102.3 Ų | 102.3 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.5 | 178.9 | 61.2 | 0 | 0 | 0 | 110.6 | R301 F302 S307 T308 V309 | R301-L305 WeakPolarHBondContact O-CB 3.4Å; R301-L305 PolarHBondContact O-N 3.49Å; F302-L305 PolarHBondContact O-N 3.23Å; L305-S307 VanDerWaalsContact C-N 3.34Å; L305-S307 PolarHBondContact O-N 2.85Å; L305-T308 PolarHBondContact O-N 3.3Å; L305-V309 HydrophobicContact CD1-CG2 4.19Å; L305-V309 HydrophobicContact CG-CG2 4.43Å; L305-V309 WeakPolarHBondContact O-CG2 3.28Å; L305-V309 PolarHBondContact O-N 3.44Å |
| 306 | R | 98.5 | Very high | 98.5 | Very high | 173 Ų | 173 | 102.2 Ų | 102.2 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.9 | -43.9 | 176.7 | -176.3 | 178.7 | 177.6 | 155.9 | 1.2 | 111.8 | F302 D303 V309 S310 | F302-R306 WeakPolarHBondContact O-CB 3.2Å; F302-R306 PolarHBondContact O-N 2.89Å; D303-R306 PolarHBondContact O-N 3.33Å; R306-V309 PolarHBondContact O-N 3.12Å; R306-S310 PolarHBondContact O-N 3.42Å |
| 307 | S | 98.3 | Very high | 98.5 | Very high | 66 Ų | 66 | 104.8 Ų | 104.8 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -51.3 | 173.9 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | D303 K304 L305 V309 S310 D311 | D303-S307 PolarHBondContact O-N 3.07Å; K304-S307 PolarHBondContact O-N 3.16Å; L305-S307 VanDerWaalsContact C-N 3.34Å; L305-S307 PolarHBondContact O-N 2.85Å; S307-V309 VanDerWaalsContact C-N 3.32Å; S307-V309 PolarHBondContact O-N 3.06Å; S307-S310 WeakPolarHBondContact O-CB 3.47Å; S307-S310 PolarHBondContact O-N 3.46Å; S307-D311 PolarHBondContact O-N 3.15Å |
| 308 | T | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 104.6 Ų | 104.6 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57 | -44.3 | 179.2 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | K304 L305 S310 D311 L312 | K304-T308 PolarHBondContact O-N 3.45Å; K304-T308 PolarHBondContact O-OG1 3.02Å; L305-T308 PolarHBondContact O-N 3.3Å; T308-S310 VanDerWaalsContact C-N 3.34Å; T308-S310 PolarHBondContact O-N 2.98Å; T308-D311 PolarHBondContact O-N 3.4Å; T308-L312 HydrophobicContact CG2-CD1 4.18Å; T308-L312 HydrophobicContact CG2-CG 4.46Å; T308-L312 WeakPolarHBondContact O-CB 3.36Å; T308-L312 WeakPolarHBondContact O-CG 3.47Å; T308-L312 PolarHBondContact O-N 2.75Å |
| 309 | V | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 104.4 Ų | 104.4 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | L305 R306 S307 D311 K313 | L305-V309 HydrophobicContact CD1-CG2 4.19Å; L305-V309 HydrophobicContact CG-CG2 4.43Å; L305-V309 WeakPolarHBondContact O-CG2 3.28Å; L305-V309 PolarHBondContact O-N 3.44Å; R306-V309 PolarHBondContact O-N 3.12Å; S307-V309 VanDerWaalsContact C-N 3.32Å; S307-V309 PolarHBondContact O-N 3.06Å; V309-D311 VanDerWaalsContact C-N 3.34Å; V309-K313 HydrophobicContact CG1-CD 4.42Å; V309-K313 WeakPolarHBondContact O-CG 3.39Å; V309-K313 PolarHBondContact O-N 3.43Å |
| 310 | S | 98.2 | Very high | 98.5 | Very high | 54 Ų | 54 | 105 Ų | 105 | 38% | 0.378 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.7 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | R306 S307 T308 K313 K314 | R306-S310 PolarHBondContact O-N 3.42Å; S307-S310 WeakPolarHBondContact O-CB 3.47Å; S307-S310 PolarHBondContact O-N 3.46Å; T308-S310 VanDerWaalsContact C-N 3.34Å; T308-S310 PolarHBondContact O-N 2.98Å; S310-K313 PolarHBondContact O-N 3.41Å; S310-K314 WeakPolarHBondContact O-CG 3.4Å; S310-K314 PolarHBondContact O-N 2.83Å; S310-K314 VanDerWaalsContact O-N 3.16Å |
| 311 | D | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 100 Ų | 100 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 179.1 | -64.5 | -29.5 | 0 | 0 | 0 | 111.9 | S307 T308 V309 K313 K314 N315 | S307-D311 PolarHBondContact O-N 3.15Å; T308-D311 PolarHBondContact O-N 3.4Å; V309-D311 VanDerWaalsContact C-N 3.34Å; D311-K313 VanDerWaalsContact C-N 3.32Å; D311-K313 PolarHBondContact O-N 2.83Å; D311-K314 PolarHBondContact O-N 3.01Å; D311-K314 IonicContact OD1-NZ 2.64Å; D311-N315 WeakPolarHBondContact O-CB 3.38Å; D311-N315 PolarHBondContact O-N 3.24Å |
| 312 | L | 98.6 | Very high | 98.5 | Very high | 107 Ų | 107 | 96.5 Ų | 96.5 | 56% | 0.56 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -40.4 | 173.6 | -73.7 | 174.6 | 0 | 0 | 0 | 112 | T308 N315 E316 | T308-L312 HydrophobicContact CG2-CD1 4.18Å; T308-L312 HydrophobicContact CG2-CG 4.46Å; T308-L312 WeakPolarHBondContact O-CB 3.36Å; T308-L312 WeakPolarHBondContact O-CG 3.47Å; T308-L312 PolarHBondContact O-N 2.75Å; L312-N315 PolarHBondContact O-N 2.89Å; L312-E316 WeakPolarHBondContact O-CB 3.46Å; L312-E316 PolarHBondContact O-N 2.93Å |
| 313 | K | 98.7 | Very high | 98.5 | Very high | 131 Ų | 131 | 93.9 Ų | 93.9 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 174.9 | -76.8 | -179.5 | 176.3 | -173.9 | 0 | 112.4 | V309 S310 D311 N315 E316 V317 | V309-K313 HydrophobicContact CG1-CD 4.42Å; V309-K313 WeakPolarHBondContact O-CG 3.39Å; V309-K313 PolarHBondContact O-N 3.43Å; S310-K313 PolarHBondContact O-N 3.41Å; D311-K313 VanDerWaalsContact C-N 3.32Å; D311-K313 PolarHBondContact O-N 2.83Å; K313-N315 VanDerWaalsContact C-N 3.34Å; K313-E316 PolarHBondContact O-N 3.31Å; K313-V317 WeakPolarHBondContact O-CG2 3.45Å; K313-V317 PolarHBondContact O-N 3.25Å; K313-V317 VanDerWaalsContact O-N 3.12Å |
| 314 | K | 98.6 | Very high | 98.5 | Very high | 128 Ų | 128 | 95.6 Ų | 95.6 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 175 | -69.1 | 172 | -172.2 | 164.4 | 0 | 111.3 | S310 D311 V317 T318 | S310-K314 WeakPolarHBondContact O-CG 3.4Å; S310-K314 PolarHBondContact O-N 2.83Å; S310-K314 VanDerWaalsContact O-N 3.16Å; D311-K314 PolarHBondContact O-N 3.01Å; D311-K314 IonicContact OD1-NZ 2.64Å; K314-V317 PolarHBondContact O-N 3.49Å; K314-T318 PolarHBondContact O-N 3.1Å; K314-T318 PolarHBondContact O-OG1 3.36Å |
| 315 | N | 98.3 | Very high | 98.5 | Very high | 83 Ų | 83 | 92.7 Ų | 92.7 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 176.8 | -169.4 | 13.8 | 0 | 0 | 0 | 111.5 | D311 L312 K313 V317 T318 L319 | D311-N315 WeakPolarHBondContact O-CB 3.38Å; D311-N315 PolarHBondContact O-N 3.24Å; L312-N315 PolarHBondContact O-N 2.89Å; K313-N315 VanDerWaalsContact C-N 3.34Å; N315-V317 VanDerWaalsContact C-N 3.35Å; N315-V317 PolarHBondContact O-N 3.33Å; N315-T318 PolarHBondContact O-N 3.15Å; N315-T318 VanDerWaalsContact O-N 3.15Å; N315-L319 WeakPolarHBondContact O-CB 3.43Å; N315-L319 WeakPolarHBondContact O-CG 3.34Å; N315-L319 PolarHBondContact O-N 3.34Å; N315-L319 WeakPolarHBondContact OD1-CD1 3.44Å |
| 316 | E | 98.4 | Very high | 98.5 | Very high | 95 Ų | 95 | 92.2 Ų | 92.2 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.3 | -47.3 | 175.9 | -175.4 | -170.7 | 172.6 | 0 | 0 | 111.7 | L312 K313 T318 L319 K320 | L312-E316 WeakPolarHBondContact O-CB 3.46Å; L312-E316 PolarHBondContact O-N 2.93Å; K313-E316 PolarHBondContact O-N 3.31Å; E316-T318 VanDerWaalsContact C-N 3.33Å; E316-T318 PolarHBondContact O-N 2.89Å; E316-L319 PolarHBondContact O-N 2.95Å; E316-K320 HydrophobicContact CG-CD 4.32Å; E316-K320 WeakPolarHBondContact O-CB 3.37Å; E316-K320 WeakPolarHBondContact O-CG 3.2Å; E316-K320 PolarHBondContact O-N 3.41Å; E316-K320 WeakPolarHBondContact OE1-CE 3.34Å; E316-K320 IonicContact OE1-NZ 3.21Å; E316-K320 PolarHBondContact OE1-NZ 2.92Å |
| 317 | V | 98.5 | Very high | 98.5 | Very high | 99 Ų | 99 | 87.8 Ų | 87.8 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | K313 K314 N315 K320 A321 | K313-V317 WeakPolarHBondContact O-CG2 3.45Å; K313-V317 PolarHBondContact O-N 3.25Å; K313-V317 VanDerWaalsContact O-N 3.12Å; K314-V317 PolarHBondContact O-N 3.49Å; N315-V317 VanDerWaalsContact C-N 3.35Å; N315-V317 PolarHBondContact O-N 3.33Å; V317-K320 PolarHBondContact O-N 3.01Å; V317-A321 PolarHBondContact O-N 3.45Å |
| 318 | T | 98.5 | Very high | 98.5 | Very high | 94 Ų | 94 | 89.5 Ų | 89.5 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.2 | -44.4 | 179.6 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | K314 N315 E316 A321 S322 | K314-T318 PolarHBondContact O-N 3.1Å; K314-T318 PolarHBondContact O-OG1 3.36Å; N315-T318 PolarHBondContact O-N 3.15Å; N315-T318 VanDerWaalsContact O-N 3.15Å; E316-T318 VanDerWaalsContact C-N 3.33Å; E316-T318 PolarHBondContact O-N 2.89Å; T318-A321 PolarHBondContact O-N 2.64Å; T318-S322 PolarHBondContact O-N 3.46Å |
| 319 | L | 98.5 | Very high | 98.5 | Very high | 106 Ų | 106 | 93.5 Ų | 93.5 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.7 | -38.7 | 177.9 | -74.6 | 170.4 | 0 | 0 | 0 | 112.1 | N315 E316 S322 A323 | N315-L319 WeakPolarHBondContact O-CB 3.43Å; N315-L319 WeakPolarHBondContact O-CG 3.34Å; N315-L319 PolarHBondContact O-N 3.34Å; N315-L319 WeakPolarHBondContact OD1-CD1 3.44Å; E316-L319 PolarHBondContact O-N 2.95Å; L319-S322 PolarHBondContact O-N 3.47Å; L319-A323 WeakPolarHBondContact O-CB 3.49Å; L319-A323 PolarHBondContact O-N 2.87Å |
| 320 | K | 98.7 | Very high | 98.5 | Very high | 112 Ų | 112 | 95.5 Ų | 95.5 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 173.5 | -76.9 | 179.9 | -176.9 | 173.5 | 0 | 111.5 | E316 V317 S322 A323 E324 | E316-K320 HydrophobicContact CG-CD 4.32Å; E316-K320 WeakPolarHBondContact O-CB 3.37Å; E316-K320 WeakPolarHBondContact O-CG 3.2Å; E316-K320 PolarHBondContact O-N 3.41Å; E316-K320 WeakPolarHBondContact OE1-CE 3.34Å; E316-K320 IonicContact OE1-NZ 3.21Å; E316-K320 PolarHBondContact OE1-NZ 2.92Å; V317-K320 PolarHBondContact O-N 3.01Å; K320-S322 VanDerWaalsContact C-N 3.29Å; K320-S322 PolarHBondContact O-N 3.3Å; K320-A323 PolarHBondContact O-N 2.98Å; K320-A323 VanDerWaalsContact O-N 3.15Å; K320-E324 WeakPolarHBondContact O-CG 3.43Å; K320-E324 PolarHBondContact O-N 2.91Å |
| 321 | A | 98.5 | Very high | 98.5 | Very high | 54 Ų | 54 | 95.3 Ų | 95.3 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | V317 T318 E324 D325 | V317-A321 PolarHBondContact O-N 3.45Å; T318-A321 PolarHBondContact O-N 2.64Å; A321-E324 PolarHBondContact O-N 2.91Å; A321-D325 PolarHBondContact O-N 2.96Å |
| 322 | S | 98.2 | Very high | 98.5 | Very high | 61 Ų | 61 | 96.3 Ų | 96.3 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 175.3 | -176 | 0 | 0 | 0 | 0 | 113 | T318 L319 K320 L326 | T318-S322 PolarHBondContact O-N 3.46Å; L319-S322 PolarHBondContact O-N 3.47Å; K320-S322 VanDerWaalsContact C-N 3.29Å; K320-S322 PolarHBondContact O-N 3.3Å; S322-L326 WeakPolarHBondContact O-CG 3.24Å; S322-L326 PolarHBondContact O-N 3.45Å; S322-L326 VanDerWaalsContact O-N 3.1Å |
| 323 | A | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 93.3 Ų | 93.3 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L319 K320 L326 S327 | L319-A323 WeakPolarHBondContact O-CB 3.49Å; L319-A323 PolarHBondContact O-N 2.87Å; K320-A323 PolarHBondContact O-N 2.98Å; K320-A323 VanDerWaalsContact O-N 3.15Å; A323-L326 PolarHBondContact O-N 3.17Å; A323-S327 WeakPolarHBondContact O-CB 3.39Å; A323-S327 PolarHBondContact O-N 2.62Å |
| 324 | E | 98.6 | Very high | 98.5 | Very high | 133 Ų | 133 | 91.7 Ų | 91.7 | 62% | 0.621 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.9 | -46.4 | 173.8 | -73 | 170.6 | -170.9 | 0 | 0 | 111.7 | K320 A321 L326 S327 E328 | K320-E324 WeakPolarHBondContact O-CG 3.43Å; K320-E324 PolarHBondContact O-N 2.91Å; A321-E324 PolarHBondContact O-N 2.91Å; E324-L326 PolarHBondContact O-N 3.44Å; E324-S327 WeakPolarHBondContact O-CB 3.43Å; E324-S327 PolarHBondContact O-N 3.26Å; E324-E328 PolarHBondContact O-N 3.43Å |
| 325 | D | 98.6 | Very high | 98.5 | Very high | 75 Ų | 75 | 87.6 Ų | 87.6 | 40% | 0.401 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.2 | -46.6 | 174.5 | 175.2 | 73.5 | 0 | 0 | 0 | 112.1 | A321 S327 E328 R329 | A321-D325 PolarHBondContact O-N 2.96Å; D325-S327 VanDerWaalsContact C-N 3.34Å; D325-S327 PolarHBondContact O-N 2.88Å; D325-E328 PolarHBondContact O-N 3.39Å; D325-R329 WeakPolarHBondContact O-CB 3.37Å; D325-R329 VanDerWaalsContact O-CG 3.24Å; D325-R329 WeakPolarHBondContact O-CG 3.1Å; D325-R329 PolarHBondContact O-N 3.41Å; D325-R329 WeakPolarHBondContact OD2-CD 3.36Å; D325-R329 IonicContact OD2-NH1 3.28Å |
| 326 | L | 98.6 | Very high | 98.5 | Very high | 95 Ų | 95 | 92.1 Ų | 92.1 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 178.3 | -73.1 | 173.9 | 0 | 0 | 0 | 112.1 | S322 A323 E324 R329 L330 | S322-L326 WeakPolarHBondContact O-CG 3.24Å; S322-L326 PolarHBondContact O-N 3.45Å; S322-L326 VanDerWaalsContact O-N 3.1Å; A323-L326 PolarHBondContact O-N 3.17Å; E324-L326 PolarHBondContact O-N 3.44Å; L326-R329 PolarHBondContact O-N 3.5Å; L326-L330 WeakPolarHBondContact O-CB 3.15Å; L326-L330 PolarHBondContact O-N 3.5Å |
| 327 | S | 98.6 | Very high | 98.5 | Very high | 80 Ų | 80 | 94 Ų | 94 | 56% | 0.559 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -44.9 | 175.2 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | A323 E324 D325 R329 L330 A331 | A323-S327 WeakPolarHBondContact O-CB 3.39Å; A323-S327 PolarHBondContact O-N 2.62Å; E324-S327 WeakPolarHBondContact O-CB 3.43Å; E324-S327 PolarHBondContact O-N 3.26Å; D325-S327 VanDerWaalsContact C-N 3.34Å; D325-S327 PolarHBondContact O-N 2.88Å; S327-R329 PolarHBondContact O-N 3.43Å; S327-L330 PolarHBondContact O-N 2.84Å; S327-A331 WeakPolarHBondContact O-CB 3.29Å; S327-A331 PolarHBondContact O-N 3.08Å |
| 328 | E | 98.7 | Very high | 98.5 | Very high | 103 Ų | 103 | 95.4 Ų | 95.4 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.9 | -169.5 | -174 | 168.1 | 0 | 0 | 111.7 | E324 D325 A331 K332 | E324-E328 PolarHBondContact O-N 3.43Å; D325-E328 PolarHBondContact O-N 3.39Å; E328-A331 PolarHBondContact O-N 3.49Å; E328-K332 HydrophobicContact CG-CD 4.44Å; E328-K332 WeakPolarHBondContact O-CG 3.48Å; E328-K332 PolarHBondContact O-N 2.97Å; E328-K332 WeakPolarHBondContact OE1-CE 3.18Å; E328-K332 IonicContact OE1-NZ 3.83Å; E328-K332 PolarHBondContact OE1-NZ 3.35Å |
| 329 | R | 98.6 | Very high | 98.5 | Very high | 151 Ų | 151 | 96.7 Ų | 96.7 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 176.3 | -74 | 171.8 | 62.4 | -175.8 | -1.3 | 112 | D325 L326 S327 K332 S333 | D325-R329 WeakPolarHBondContact O-CB 3.37Å; D325-R329 VanDerWaalsContact O-CG 3.24Å; D325-R329 WeakPolarHBondContact O-CG 3.1Å; D325-R329 PolarHBondContact O-N 3.41Å; D325-R329 WeakPolarHBondContact OD2-CD 3.36Å; D325-R329 IonicContact OD2-NH1 3.28Å; L326-R329 PolarHBondContact O-N 3.5Å; S327-R329 PolarHBondContact O-N 3.43Å; R329-K332 PolarHBondContact O-N 2.97Å; R329-S333 WeakPolarHBondContact O-CB 3.32Å; R329-S333 PolarHBondContact O-N 3.38Å |
| 330 | L | 98.5 | Very high | 98.5 | Very high | 101 Ų | 101 | 97.1 Ų | 97.1 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 174.6 | -180 | 62.1 | 0 | 0 | 0 | 110.4 | L326 S327 K332 S333 E334 | L326-L330 WeakPolarHBondContact O-CB 3.15Å; L326-L330 PolarHBondContact O-N 3.5Å; S327-L330 PolarHBondContact O-N 2.84Å; L330-K332 VanDerWaalsContact C-N 3.33Å; L330-K332 PolarHBondContact O-N 3.33Å; L330-S333 WeakPolarHBondContact O-CB 3.36Å; L330-S333 PolarHBondContact O-N 3.49Å; L330-S333 VanDerWaalsContact O-N 3.08Å; L330-E334 HydrophobicContact CD1-CG 4.22Å; L330-E334 HydrophobicContact CG-CG 4.4Å; L330-E334 WeakPolarHBondContact O-CG 3.38Å; L330-E334 PolarHBondContact O-N 3.37Å |
| 331 | A | 98.7 | Very high | 98.5 | Very high | 50 Ų | 50 | 98 Ų | 98 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | S327 E328 A335 | S327-A331 WeakPolarHBondContact O-CB 3.29Å; S327-A331 PolarHBondContact O-N 3.08Å; E328-A331 PolarHBondContact O-N 3.49Å; A331-A335 WeakPolarHBondContact O-CB 3.33Å; A331-A335 PolarHBondContact O-N 3.42Å |
| 332 | K | 98.7 | Very high | 98.5 | Very high | 105 Ų | 105 | 98.5 Ų | 98.5 | 46% | 0.457 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 174.2 | -74.7 | 173.5 | -176.2 | 166.2 | 0 | 112 | E328 R329 L330 A335 R336 | E328-K332 HydrophobicContact CG-CD 4.44Å; E328-K332 WeakPolarHBondContact O-CG 3.48Å; E328-K332 PolarHBondContact O-N 2.97Å; E328-K332 WeakPolarHBondContact OE1-CE 3.18Å; E328-K332 IonicContact OE1-NZ 3.83Å; E328-K332 PolarHBondContact OE1-NZ 3.35Å; R329-K332 PolarHBondContact O-N 2.97Å; L330-K332 VanDerWaalsContact C-N 3.33Å; L330-K332 PolarHBondContact O-N 3.33Å; K332-A335 PolarHBondContact O-N 2.92Å; K332-R336 WeakPolarHBondContact O-CG 3.46Å; K332-R336 PolarHBondContact O-N 3.08Å; K332-R336 VanDerWaalsContact O-N 3.08Å |
| 333 | S | 97.7 | Very high | 98.5 | Very high | 45 Ų | 45 | 99.9 Ų | 99.9 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 176.8 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | R329 L330 A335 R336 F337 | R329-S333 WeakPolarHBondContact O-CB 3.32Å; R329-S333 PolarHBondContact O-N 3.38Å; L330-S333 WeakPolarHBondContact O-CB 3.36Å; L330-S333 PolarHBondContact O-N 3.49Å; L330-S333 VanDerWaalsContact O-N 3.08Å; S333-A335 VanDerWaalsContact C-N 3.33Å; S333-A335 PolarHBondContact O-N 2.94Å; S333-R336 WeakPolarHBondContact O-CB 3.48Å; S333-R336 PolarHBondContact O-N 3.4Å; S333-R336 VanDerWaalsContact O-N 3.17Å; S333-F337 WeakPolarHBondContact O-CD2 3.39Å; S333-F337 PolarHBondContact O-N 2.9Å; S333-F337 VanDerWaalsContact OG-CE2 3.29Å; S333-F337 WeakPolarHBondContact OG-CE2 3.38Å |
| 334 | E | 98.6 | Very high | 98.5 | Very high | 96 Ų | 96 | 99.5 Ų | 99.5 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 176.9 | -71.9 | 177.9 | 165.1 | 0 | 0 | 112.5 | L330 F337 R338 | L330-E334 HydrophobicContact CD1-CG 4.22Å; L330-E334 HydrophobicContact CG-CG 4.4Å; L330-E334 WeakPolarHBondContact O-CG 3.38Å; L330-E334 PolarHBondContact O-N 3.37Å; E334-F337 PolarHBondContact O-N 2.9Å; E334-R338 WeakPolarHBondContact O-CB 3.38Å; E334-R338 WeakPolarHBondContact O-CG 3.45Å; E334-R338 PolarHBondContact O-N 3.38Å; E334-R338 PolarHBondContact O-NE 2.9Å |
| 335 | A | 98.6 | Very high | 98.5 | Very high | 42 Ų | 42 | 98.1 Ų | 98.1 | 35% | 0.347 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A331 K332 S333 R338 Q339 | A331-A335 WeakPolarHBondContact O-CB 3.33Å; A331-A335 PolarHBondContact O-N 3.42Å; K332-A335 PolarHBondContact O-N 2.92Å; S333-A335 VanDerWaalsContact C-N 3.33Å; S333-A335 PolarHBondContact O-N 2.94Å; A335-R338 PolarHBondContact O-N 3.17Å; A335-Q339 PolarHBondContact O-N 3.32Å |
| 336 | R | 98.6 | Very high | 98.5 | Very high | 179 Ų | 179 | 98.8 Ų | 98.8 | 68% | 0.675 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 175 | -71.4 | 171.6 | -177.7 | 175.9 | 0.5 | 111.8 | K332 S333 Q339 L340 | K332-R336 WeakPolarHBondContact O-CG 3.46Å; K332-R336 PolarHBondContact O-N 3.08Å; K332-R336 VanDerWaalsContact O-N 3.08Å; S333-R336 WeakPolarHBondContact O-CB 3.48Å; S333-R336 PolarHBondContact O-N 3.4Å; S333-R336 VanDerWaalsContact O-N 3.17Å; R336-Q339 PolarHBondContact O-N 3.47Å; R336-L340 WeakPolarHBondContact O-CB 3.43Å; R336-L340 PolarHBondContact O-N 2.98Å |
| 337 | F | 98.5 | Very high | 98.5 | Very high | 135 Ų | 135 | 100.2 Ų | 100.2 | 59% | 0.592 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 176.5 | -80.3 | -60.4 | 0 | 0 | 0 | 112.2 | S333 E334 L340 R341 | S333-F337 WeakPolarHBondContact O-CD2 3.39Å; S333-F337 PolarHBondContact O-N 2.9Å; S333-F337 VanDerWaalsContact OG-CE2 3.29Å; S333-F337 WeakPolarHBondContact OG-CE2 3.38Å; E334-F337 PolarHBondContact O-N 2.9Å; F337-L340 PolarHBondContact O-N 2.97Å; F337-R341 WeakPolarHBondContact O-CB 3.4Å; F337-R341 PolarHBondContact O-N 3.38Å |
| 338 | R | 98.6 | Very high | 98.5 | Very high | 127 Ų | 127 | 100.9 Ų | 100.9 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 173.9 | -79.6 | -178.5 | -84.4 | 128.8 | -9.6 | 111.5 | E334 A335 L340 R341 D342 | E334-R338 WeakPolarHBondContact O-CB 3.38Å; E334-R338 WeakPolarHBondContact O-CG 3.45Å; E334-R338 PolarHBondContact O-N 3.38Å; E334-R338 PolarHBondContact O-NE 2.9Å; A335-R338 PolarHBondContact O-N 3.17Å; R338-L340 VanDerWaalsContact C-N 3.33Å; R338-L340 PolarHBondContact O-N 2.98Å; R338-R341 WeakPolarHBondContact O-CB 3.35Å; R338-R341 PolarHBondContact O-N 3.43Å; R338-D342 PolarHBondContact O-N 2.88Å |
| 339 | Q | 98.6 | Very high | 98.5 | Very high | 122 Ų | 122 | 99.5 Ų | 99.5 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.6 | -42.1 | 177.4 | -173.4 | -176.7 | 5.2 | 0 | 0 | 112.4 | A335 R336 N343 | A335-Q339 PolarHBondContact O-N 3.32Å; R336-Q339 PolarHBondContact O-N 3.47Å; Q339-N343 WeakPolarHBondContact O-CB 3.39Å; Q339-N343 PolarHBondContact O-N 3.37Å; Q339-N343 PolarHBondContact O-ND2 3.39Å |
| 340 | L | 98.5 | Very high | 98.5 | Very high | 114 Ų | 114 | 98.8 Ų | 98.8 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.3 | -42.3 | 177.7 | -178.6 | 62 | 0 | 0 | 0 | 111.8 | R336 F337 R338 N343 A344 | R336-L340 WeakPolarHBondContact O-CB 3.43Å; R336-L340 PolarHBondContact O-N 2.98Å; F337-L340 PolarHBondContact O-N 2.97Å; R338-L340 VanDerWaalsContact C-N 3.33Å; R338-L340 PolarHBondContact O-N 2.98Å; L340-N343 PolarHBondContact O-N 3.41Å; L340-A344 WeakPolarHBondContact O-CB 3.48Å; L340-A344 PolarHBondContact O-N 2.87Å |
| 341 | R | 98.7 | Very high | 98.5 | Very high | 130 Ų | 130 | 98.6 Ų | 98.6 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.2 | -51.4 | 175.1 | -178 | -159.6 | 63.4 | -171 | -0.4 | 110.6 | F337 R338 N343 A344 E345 | F337-R341 WeakPolarHBondContact O-CB 3.4Å; F337-R341 PolarHBondContact O-N 3.38Å; R338-R341 WeakPolarHBondContact O-CB 3.35Å; R338-R341 PolarHBondContact O-N 3.43Å; R341-N343 VanDerWaalsContact C-N 3.32Å; R341-N343 PolarHBondContact O-N 3.09Å; R341-A344 PolarHBondContact O-N 3.22Å; R341-A344 VanDerWaalsContact O-N 3.09Å; R341-E345 WeakPolarHBondContact CD-OE1 3.47Å; R341-E345 HydrophobicContact CG-CG 4.4Å; R341-E345 WeakPolarHBondContact CG-OE1 3.31Å; R341-E345 IonicContact NE-OE1 2.9Å; R341-E345 WeakPolarHBondContact O-CG 3.42Å; R341-E345 PolarHBondContact O-N 2.99Å |
| 342 | D | 98.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 102.6 Ų | 102.6 | 35% | 0.353 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | -178.8 | -60.3 | -9.8 | 0 | 0 | 0 | 110.6 | R338 A344 E345 D346 | R338-D342 PolarHBondContact O-N 2.88Å; D342-A344 PolarHBondContact O-N 3.49Å; D342-E345 PolarHBondContact O-N 3.41Å; D342-D346 WeakPolarHBondContact O-CB 3.46Å; D342-D346 PolarHBondContact O-N 3.02Å |
| 343 | N | 98.3 | Very high | 98.4 | Very high | 89 Ų | 89 | 102.8 Ų | 102.8 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 174.2 | -75.5 | -17.7 | 0 | 0 | 0 | 113.2 | Q339 L340 R341 K347 | Q339-N343 WeakPolarHBondContact O-CB 3.39Å; Q339-N343 PolarHBondContact O-N 3.37Å; Q339-N343 PolarHBondContact O-ND2 3.39Å; L340-N343 PolarHBondContact O-N 3.41Å; R341-N343 VanDerWaalsContact C-N 3.32Å; R341-N343 PolarHBondContact O-N 3.09Å; N343-K347 WeakPolarHBondContact O-CB 3.38Å; N343-K347 PolarHBondContact O-N 3.38Å |
| 344 | A | 98.5 | Very high | 98.5 | Very high | 52 Ų | 52 | 104.1 Ų | 104.1 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.5 | -43.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L340 R341 D342 D346 K347 V348 | L340-A344 WeakPolarHBondContact O-CB 3.48Å; L340-A344 PolarHBondContact O-N 2.87Å; R341-A344 PolarHBondContact O-N 3.22Å; R341-A344 VanDerWaalsContact O-N 3.09Å; D342-A344 PolarHBondContact O-N 3.49Å; A344-D346 VanDerWaalsContact C-N 3.35Å; A344-D346 PolarHBondContact O-N 3.5Å; A344-K347 PolarHBondContact O-N 2.88Å; A344-V348 WeakPolarHBondContact O-CG2 3.43Å; A344-V348 PolarHBondContact O-N 2.95Å |
| 345 | E | 98.5 | Very high | 98.4 | Very high | 104 Ų | 104 | 104.6 Ų | 104.6 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.8 | -72.6 | 174.1 | 180 | 0 | 0 | 111.5 | R341 D342 K347 V348 T349 | R341-E345 WeakPolarHBondContact CD-OE1 3.47Å; R341-E345 HydrophobicContact CG-CG 4.4Å; R341-E345 WeakPolarHBondContact CG-OE1 3.31Å; R341-E345 IonicContact NE-OE1 2.9Å; R341-E345 WeakPolarHBondContact O-CG 3.42Å; R341-E345 PolarHBondContact O-N 2.99Å; D342-E345 PolarHBondContact O-N 3.41Å; E345-K347 PolarHBondContact O-N 2.92Å; E345-V348 PolarHBondContact O-N 3.41Å; E345-T349 WeakPolarHBondContact O-CB 3.37Å; E345-T349 PolarHBondContact O-N 2.89Å; E345-T349 PolarHBondContact O-OG1 3.2Å |
| 346 | D | 98.5 | Very high | 98.4 | Very high | 88 Ų | 88 | 106.6 Ų | 106.6 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 173.6 | -87.7 | -5.2 | 0 | 0 | 0 | 112.1 | D342 A344 T349 K350 | D342-D346 WeakPolarHBondContact O-CB 3.46Å; D342-D346 PolarHBondContact O-N 3.02Å; A344-D346 VanDerWaalsContact C-N 3.35Å; A344-D346 PolarHBondContact O-N 3.5Å; D346-T349 PolarHBondContact O-N 3.49Å; D346-K350 WeakPolarHBondContact O-CB 3.3Å; D346-K350 VanDerWaalsContact O-CG 3.3Å; D346-K350 WeakPolarHBondContact O-CG 3.27Å; D346-K350 PolarHBondContact O-N 2.89Å |
| 347 | K | 98.5 | Very high | 98.4 | Very high | 126 Ų | 126 | 104.5 Ų | 104.5 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 178.8 | -174.8 | 61.2 | 176.9 | -178.2 | 0 | 111.3 | N343 A344 E345 T349 K350 L351 | N343-K347 WeakPolarHBondContact O-CB 3.38Å; N343-K347 PolarHBondContact O-N 3.38Å; A344-K347 PolarHBondContact O-N 2.88Å; E345-K347 PolarHBondContact O-N 2.92Å; K347-T349 VanDerWaalsContact C-N 3.33Å; K347-K350 PolarHBondContact O-N 3.32Å; K347-L351 HydrophobicContact CG-CD1 4.32Å; K347-L351 WeakPolarHBondContact O-CB 3.33Å; K347-L351 VanDerWaalsContact O-CG 3.31Å; K347-L351 WeakPolarHBondContact O-CG 3.41Å; K347-L351 PolarHBondContact O-N 3.49Å |
| 348 | V | 98.5 | Very high | 98.4 | Very high | 93 Ų | 93 | 102.8 Ų | 102.8 | 56% | 0.564 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.4 | -46.7 | 173.6 | 168.9 | 0 | 0 | 0 | 0 | 110 | A344 E345 K350 L351 K352 | A344-V348 WeakPolarHBondContact O-CG2 3.43Å; A344-V348 PolarHBondContact O-N 2.95Å; E345-V348 PolarHBondContact O-N 3.41Å; V348-K350 PolarHBondContact O-N 2.88Å; V348-L351 PolarHBondContact O-N 2.82Å; V348-K352 WeakPolarHBondContact O-CB 3.42Å; V348-K352 PolarHBondContact O-N 3.38Å |
| 349 | T | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 98.5 Ų | 98.5 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | E345 D346 K347 L351 K352 I353 | E345-T349 WeakPolarHBondContact O-CB 3.37Å; E345-T349 PolarHBondContact O-N 2.89Å; E345-T349 PolarHBondContact O-OG1 3.2Å; D346-T349 PolarHBondContact O-N 3.49Å; K347-T349 VanDerWaalsContact C-N 3.33Å; T349-L351 PolarHBondContact O-N 3.31Å; T349-K352 WeakPolarHBondContact O-CB 3.38Å; T349-K352 PolarHBondContact O-N 3.39Å; T349-I353 HydrophobicContact CG2-CD1 4.15Å; T349-I353 WeakPolarHBondContact O-CG1 3.45Å; T349-I353 PolarHBondContact O-N 3.22Å |
| 350 | K | 98.4 | Very high | 98.4 | Very high | 135 Ų | 135 | 100 Ų | 100 | 59% | 0.587 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 175.6 | -74.6 | 169.8 | -175.3 | 167.4 | 0 | 112.4 | D346 K347 V348 K352 I353 E354 | D346-K350 WeakPolarHBondContact O-CB 3.3Å; D346-K350 VanDerWaalsContact O-CG 3.3Å; D346-K350 WeakPolarHBondContact O-CG 3.27Å; D346-K350 PolarHBondContact O-N 2.89Å; K347-K350 PolarHBondContact O-N 3.32Å; V348-K350 PolarHBondContact O-N 2.88Å; K350-K352 VanDerWaalsContact C-N 3.29Å; K350-K352 PolarHBondContact O-N 2.99Å; K350-I353 PolarHBondContact O-N 3.5Å; K350-E354 WeakPolarHBondContact O-CB 3.37Å; K350-E354 PolarHBondContact O-N 2.82Å |
| 351 | L | 98.1 | Very high | 98.4 | Very high | 98 Ų | 98 | 97.2 Ų | 97.2 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -36.2 | 176.8 | -72.9 | 174.3 | 0 | 0 | 0 | 111.8 | K347 V348 T349 E354 M355 | K347-L351 HydrophobicContact CG-CD1 4.32Å; K347-L351 WeakPolarHBondContact O-CB 3.33Å; K347-L351 VanDerWaalsContact O-CG 3.31Å; K347-L351 WeakPolarHBondContact O-CG 3.41Å; K347-L351 PolarHBondContact O-N 3.49Å; V348-L351 PolarHBondContact O-N 2.82Å; T349-L351 PolarHBondContact O-N 3.31Å; L351-E354 PolarHBondContact O-N 3.4Å; L351-M355 VanDerWaalsContact O-CB 3.27Å; L351-M355 WeakPolarHBondContact O-CB 3.43Å; L351-M355 PolarHBondContact O-N 2.64Å |
| 352 | K | 98.3 | Very high | 98.3 | Very high | 134 Ų | 134 | 98 Ų | 98 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.3 | -46.2 | 176.5 | -144.3 | 175.3 | -174 | -179.9 | 0 | 111.5 | V348 T349 K350 E354 M355 D356 | V348-K352 WeakPolarHBondContact O-CB 3.42Å; V348-K352 PolarHBondContact O-N 3.38Å; T349-K352 WeakPolarHBondContact O-CB 3.38Å; T349-K352 PolarHBondContact O-N 3.39Å; K350-K352 VanDerWaalsContact C-N 3.29Å; K350-K352 PolarHBondContact O-N 2.99Å; K352-E354 VanDerWaalsContact C-N 3.32Å; K352-E354 PolarHBondContact O-N 2.96Å; K352-M355 HydrophobicContact CG-CE 4.38Å; K352-M355 PolarHBondContact O-N 2.82Å; K352-D356 PolarHBondContact O-N 3.46Å |
| 353 | I | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 98.2 Ų | 98.2 | 56% | 0.559 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.8 | -43.7 | 174.6 | -67 | 166.1 | 0 | 0 | 0 | 110.8 | T349 K350 D356 R357 | T349-I353 HydrophobicContact CG2-CD1 4.15Å; T349-I353 WeakPolarHBondContact O-CG1 3.45Å; T349-I353 PolarHBondContact O-N 3.22Å; K350-I353 PolarHBondContact O-N 3.5Å; I353-D356 PolarHBondContact O-N 2.96Å; I353-R357 WeakPolarHBondContact O-CB 3.45Å; I353-R357 PolarHBondContact O-N 3.23Å |
| 354 | E | 98.2 | Very high | 98.3 | Very high | 72 Ų | 72 | 96.9 Ų | 96.9 | 34% | 0.336 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 179.2 | -177.3 | 57.2 | -162.4 | 0 | 0 | 112.2 | K350 L351 K352 R357 M358 | K350-E354 WeakPolarHBondContact O-CB 3.37Å; K350-E354 PolarHBondContact O-N 2.82Å; L351-E354 PolarHBondContact O-N 3.4Å; K352-E354 VanDerWaalsContact C-N 3.32Å; K352-E354 PolarHBondContact O-N 2.96Å; E354-R357 WeakPolarHBondContact O-CB 3.48Å; E354-R357 PolarHBondContact O-N 3.39Å; E354-R357 IonicContact OE1-CZ 3.25Å; E354-R357 IonicContact OE1-NE 2.64Å; E354-R357 PolarHBondContact OE1-NE 3.5Å; E354-R357 IonicContact OE1-NH2 2.75Å; E354-R357 PolarHBondContact OE1-NH2 3.39Å; E354-R357 IonicContact OE2-CZ 3.31Å; E354-R357 IonicContact OE2-NE 3.6Å; E354-R357 PolarHBondContact OE2-NE 3.44Å; E354-R357 IonicContact OE2-NH2 3.43Å; E354-M358 HydrophobicContact CG-CE 4.23Å; E354-M358 WeakPolarHBondContact O-CB 3.43Å; E354-M358 WeakPolarHBondContact O-CG 3.31Å; E354-M358 PolarHBondContact O-N 3.05Å |
| 355 | M | 97.9 | Very high | 98.2 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 53% | 0.527 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 173.2 | -175.7 | -177.6 | 70.4 | 0 | 0 | 111.2 | L351 K352 R357 M358 A359 | L351-M355 VanDerWaalsContact O-CB 3.27Å; L351-M355 WeakPolarHBondContact O-CB 3.43Å; L351-M355 PolarHBondContact O-N 2.64Å; K352-M355 HydrophobicContact CG-CE 4.38Å; K352-M355 PolarHBondContact O-N 2.82Å; M355-R357 VanDerWaalsContact C-N 3.35Å; M355-R357 PolarHBondContact O-N 2.84Å; M355-M358 PolarHBondContact O-N 3.48Å; M355-A359 WeakPolarHBondContact O-CB 3.44Å; M355-A359 PolarHBondContact O-N 2.89Å |
| 356 | D | 98.4 | Very high | 98.2 | Very high | 84 Ų | 84 | 98.4 Ų | 98.4 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 176.2 | -70.6 | -15.9 | 0 | 0 | 0 | 111.7 | K352 I353 K360 | K352-D356 PolarHBondContact O-N 3.46Å; I353-D356 PolarHBondContact O-N 2.96Å; D356-K360 VanDerWaalsContact O-CG 3.31Å; D356-K360 WeakPolarHBondContact O-CG 3.33Å; D356-K360 PolarHBondContact O-N 3.37Å |
| 357 | R | 98.3 | Very high | 98.2 | Very high | 134 Ų | 134 | 99 Ų | 99 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 175 | -170.7 | -166 | 72.7 | 74.9 | -0.8 | 111.5 | I353 E354 M355 K360 S361 | I353-R357 WeakPolarHBondContact O-CB 3.45Å; I353-R357 PolarHBondContact O-N 3.23Å; E354-R357 WeakPolarHBondContact O-CB 3.48Å; E354-R357 PolarHBondContact O-N 3.39Å; E354-R357 IonicContact OE1-CZ 3.25Å; E354-R357 IonicContact OE1-NE 2.64Å; E354-R357 PolarHBondContact OE1-NE 3.5Å; E354-R357 IonicContact OE1-NH2 2.75Å; E354-R357 PolarHBondContact OE1-NH2 3.39Å; E354-R357 IonicContact OE2-CZ 3.31Å; E354-R357 IonicContact OE2-NE 3.6Å; E354-R357 PolarHBondContact OE2-NE 3.44Å; E354-R357 IonicContact OE2-NH2 3.43Å; M355-R357 VanDerWaalsContact C-N 3.35Å; M355-R357 PolarHBondContact O-N 2.84Å; R357-K360 PolarHBondContact O-N 3.27Å; R357-S361 PolarHBondContact O-N 2.91Å |
| 358 | M | 98.4 | Very high | 98.1 | Very high | 100 Ų | 100 | 94.6 Ų | 94.6 | 49% | 0.493 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 177.5 | -73.6 | -171 | -63.2 | 0 | 0 | 111.6 | E354 M355 S361 R362 | E354-M358 HydrophobicContact CG-CE 4.23Å; E354-M358 WeakPolarHBondContact O-CB 3.43Å; E354-M358 WeakPolarHBondContact O-CG 3.31Å; E354-M358 PolarHBondContact O-N 3.05Å; M355-M358 PolarHBondContact O-N 3.48Å; M358-S361 PolarHBondContact O-N 2.89Å; M358-R362 VanDerWaalsContact O-CB 3.31Å; M358-R362 WeakPolarHBondContact O-CB 3.26Å; M358-R362 PolarHBondContact O-N 3.36Å |
| 359 | A | 98.4 | Very high | 98.1 | Very high | 37 Ų | 37 | 95.1 Ų | 95.1 | 31% | 0.306 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M355 S361 R362 D363 | M355-A359 WeakPolarHBondContact O-CB 3.44Å; M355-A359 PolarHBondContact O-N 2.89Å; A359-S361 PolarHBondContact O-N 3.34Å; A359-R362 PolarHBondContact O-N 2.87Å; A359-D363 WeakPolarHBondContact O-CB 3.38Å; A359-D363 PolarHBondContact O-N 2.96Å |
| 360 | K | 98.3 | Very high | 98.1 | Very high | 154 Ų | 154 | 100.4 Ų | 100.4 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 175.9 | -71.8 | 171.3 | -175.9 | 175.1 | 0 | 112.8 | D356 R357 D363 A364 | D356-K360 VanDerWaalsContact O-CG 3.31Å; D356-K360 WeakPolarHBondContact O-CG 3.33Å; D356-K360 PolarHBondContact O-N 3.37Å; R357-K360 PolarHBondContact O-N 3.27Å; K360-D363 PolarHBondContact O-N 2.84Å; K360-A364 PolarHBondContact O-N 2.85Å |
| 361 | S | 97.9 | Very high | 98 | Very high | 55 Ų | 55 | 96.9 Ų | 96.9 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 176.8 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | R357 M358 A359 D363 A364 D365 | R357-S361 PolarHBondContact O-N 2.91Å; M358-S361 PolarHBondContact O-N 2.89Å; A359-S361 PolarHBondContact O-N 3.34Å; S361-D363 VanDerWaalsContact C-N 3.3Å; S361-D363 PolarHBondContact O-N 3.17Å; S361-A364 WeakPolarHBondContact O-CB 3.31Å; S361-A364 PolarHBondContact O-N 3.48Å; S361-A364 VanDerWaalsContact O-N 3.16Å; S361-D365 PolarHBondContact O-N 2.93Å |
| 362 | R | 98.1 | Very high | 98 | Very high | 146 Ų | 146 | 97.5 Ų | 97.5 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.4 | -43.3 | 176.7 | -177.3 | -155.6 | 67 | 178.7 | -1.9 | 111.2 | M358 A359 A364 D365 M366 | M358-R362 VanDerWaalsContact O-CB 3.31Å; M358-R362 WeakPolarHBondContact O-CB 3.26Å; M358-R362 PolarHBondContact O-N 3.36Å; A359-R362 PolarHBondContact O-N 2.87Å; R362-A364 VanDerWaalsContact C-N 3.33Å; R362-A364 PolarHBondContact O-N 3.49Å; R362-D365 PolarHBondContact O-N 3.48Å; R362-M366 WeakPolarHBondContact O-CB 3.39Å; R362-M366 VanDerWaalsContact O-CG 3.32Å; R362-M366 WeakPolarHBondContact O-CG 3.42Å; R362-M366 PolarHBondContact O-N 3.4Å |
| 363 | D | 98.3 | Very high | 98 | Very high | 70 Ų | 70 | 94.5 Ų | 94.5 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 178.8 | -67.8 | -10.6 | 0 | 0 | 0 | 111.4 | A359 K360 S361 M366 V367 | A359-D363 WeakPolarHBondContact O-CB 3.38Å; A359-D363 PolarHBondContact O-N 2.96Å; K360-D363 PolarHBondContact O-N 2.84Å; S361-D363 VanDerWaalsContact C-N 3.3Å; S361-D363 PolarHBondContact O-N 3.17Å; D363-M366 PolarHBondContact O-N 2.94Å; D363-M366 VanDerWaalsContact OD1-CE 3.26Å; D363-M366 WeakPolarHBondContact OD1-CE 3.19Å; D363-V367 WeakPolarHBondContact O-CG2 3.32Å; D363-V367 PolarHBondContact O-N 3.44Å; D363-V367 VanDerWaalsContact O-N 3.09Å |
| 364 | A | 97.7 | Very high | 98 | Very high | 62 Ų | 62 | 95 Ų | 95 | 51% | 0.512 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K360 S361 R362 M366 V367 G368 | K360-A364 PolarHBondContact O-N 2.85Å; S361-A364 WeakPolarHBondContact O-CB 3.31Å; S361-A364 PolarHBondContact O-N 3.48Å; S361-A364 VanDerWaalsContact O-N 3.16Å; R362-A364 VanDerWaalsContact C-N 3.33Å; R362-A364 PolarHBondContact O-N 3.49Å; A364-M366 VanDerWaalsContact C-N 3.35Å; A364-M366 PolarHBondContact O-N 3.09Å; A364-V367 PolarHBondContact O-N 3.33Å; A364-G368 PolarHBondContact O-N 3.03Å |
| 365 | D | 97.7 | Very high | 98 | Very high | 99 Ų | 99 | 98.6 Ų | 98.6 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.8 | -66.8 | -26.9 | 0 | 0 | 0 | 111.5 | S361 R362 V367 G368 I369 | S361-D365 PolarHBondContact O-N 2.93Å; R362-D365 PolarHBondContact O-N 3.48Å; D365-V367 VanDerWaalsContact C-N 3.33Å; D365-V367 PolarHBondContact O-N 3.16Å; D365-G368 PolarHBondContact O-N 3.04Å; D365-I369 WeakPolarHBondContact O-CG1 3.34Å; D365-I369 PolarHBondContact O-N 3.39Å |
| 366 | M | 97.5 | Very high | 97.9 | Very high | 88 Ų | 88 | 100.1 Ų | 100.1 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 175.3 | -78 | -160.6 | -59.1 | 0 | 0 | 112.3 | R362 D363 A364 R370 | R362-M366 WeakPolarHBondContact O-CB 3.39Å; R362-M366 VanDerWaalsContact O-CG 3.32Å; R362-M366 WeakPolarHBondContact O-CG 3.42Å; R362-M366 PolarHBondContact O-N 3.4Å; D363-M366 PolarHBondContact O-N 2.94Å; D363-M366 VanDerWaalsContact OD1-CE 3.26Å; D363-M366 WeakPolarHBondContact OD1-CE 3.19Å; A364-M366 VanDerWaalsContact C-N 3.35Å; A364-M366 PolarHBondContact O-N 3.09Å; M366-R370 WeakPolarHBondContact O-CB 3.45Å; M366-R370 PolarHBondContact O-N 3.33Å |
| 367 | V | 97.9 | Very high | 97.9 | Very high | 101 Ų | 101 | 100.7 Ų | 100.7 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -44.5 | 173.6 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | D363 A364 D365 R370 A371 | D363-V367 WeakPolarHBondContact O-CG2 3.32Å; D363-V367 PolarHBondContact O-N 3.44Å; D363-V367 VanDerWaalsContact O-N 3.09Å; A364-V367 PolarHBondContact O-N 3.33Å; D365-V367 VanDerWaalsContact C-N 3.33Å; D365-V367 PolarHBondContact O-N 3.16Å; V367-R370 PolarHBondContact O-N 3.22Å; V367-A371 PolarHBondContact O-N 3.39Å |
| 368 | G | 97.6 | Very high | 97.9 | Very high | 33 Ų | 33 | 98.6 Ų | 98.6 | 34% | 0.34 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A364 D365 A371 Q372 | A364-G368 PolarHBondContact O-N 3.03Å; D365-G368 PolarHBondContact O-N 3.04Å; G368-A371 PolarHBondContact O-N 3Å; G368-Q372 WeakPolarHBondContact O-CG 3.35Å; G368-Q372 PolarHBondContact O-N 3.23Å |
| 369 | I | 97.8 | Very high | 97.8 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 176.8 | -68.1 | 169.1 | 0 | 0 | 0 | 110.5 | D365 A371 Q372 V373 | D365-I369 WeakPolarHBondContact O-CG1 3.34Å; D365-I369 PolarHBondContact O-N 3.39Å; I369-A371 VanDerWaalsContact C-N 3.28Å; I369-A371 PolarHBondContact O-N 2.86Å; I369-Q372 WeakPolarHBondContact O-CB 3.47Å; I369-Q372 PolarHBondContact O-N 3.37Å; I369-Q372 VanDerWaalsContact O-N 3.09Å; I369-V373 HydrophobicContact CG2-CG2 4.2Å; I369-V373 WeakPolarHBondContact O-CG2 3.43Å; I369-V373 PolarHBondContact O-N 2.81Å |
| 370 | R | 98.1 | Very high | 97.8 | Very high | 187 Ų | 187 | 99.6 Ų | 99.6 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.1 | -39.2 | 177.9 | -172.5 | -178.2 | -62.7 | -107.2 | 0.2 | 111.8 | M366 V367 K374 | M366-R370 WeakPolarHBondContact O-CB 3.45Å; M366-R370 PolarHBondContact O-N 3.33Å; V367-R370 PolarHBondContact O-N 3.22Å; R370-K374 WeakPolarHBondContact O-CB 3.17Å; R370-K374 PolarHBondContact O-N 3.34Å |
| 371 | A | 97.6 | Very high | 97.7 | Very high | 60 Ų | 60 | 94.6 Ų | 94.6 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V367 G368 I369 K374 K375 | V367-A371 PolarHBondContact O-N 3.39Å; G368-A371 PolarHBondContact O-N 3Å; I369-A371 VanDerWaalsContact C-N 3.28Å; I369-A371 PolarHBondContact O-N 2.86Å; A371-K374 PolarHBondContact O-N 2.96Å; A371-K375 PolarHBondContact O-N 2.9Å |
| 372 | Q | 97.7 | Very high | 97.6 | Very high | 112 Ų | 112 | 95.3 Ų | 95.3 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 174.9 | -71.8 | -178.7 | 42.5 | 0 | 0 | 112.3 | G368 I369 K374 K375 Y376 | G368-Q372 WeakPolarHBondContact O-CG 3.35Å; G368-Q372 PolarHBondContact O-N 3.23Å; I369-Q372 WeakPolarHBondContact O-CB 3.47Å; I369-Q372 PolarHBondContact O-N 3.37Å; I369-Q372 VanDerWaalsContact O-N 3.09Å; Q372-K374 PolarHBondContact O-N 3.36Å; Q372-K375 WeakPolarHBondContact O-CB 3.48Å; Q372-K375 PolarHBondContact O-N 2.97Å; Q372-K375 VanDerWaalsContact O-N 3.15Å; Q372-Y376 WeakPolarHBondContact O-CD2 3.46Å; Q372-Y376 PolarHBondContact O-N 3.33Å |
| 373 | V | 97.8 | Very high | 97.6 | Very high | 70 Ų | 70 | 92.4 Ų | 92.4 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.8 | -46.6 | 173.3 | 171 | 0 | 0 | 0 | 0 | 109.2 | I369 K375 Y376 E377 | I369-V373 HydrophobicContact CG2-CG2 4.2Å; I369-V373 WeakPolarHBondContact O-CG2 3.43Å; I369-V373 PolarHBondContact O-N 2.81Å; V373-K375 PolarHBondContact O-N 3.15Å; V373-Y376 PolarHBondContact O-N 2.95Å; V373-E377 HydrophobicContact CG1-CG 4.31Å; V373-E377 WeakPolarHBondContact O-CG 3.36Å; V373-E377 PolarHBondContact O-N 3.09Å |
| 374 | K | 98 | Very high | 97.5 | Very high | 121 Ų | 121 | 94.7 Ų | 94.7 | 53% | 0.526 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 178.8 | -165.7 | 54.4 | 173.2 | -179.7 | 0 | 113.4 | R370 A371 Q372 E377 V378 | R370-K374 WeakPolarHBondContact O-CB 3.17Å; R370-K374 PolarHBondContact O-N 3.34Å; A371-K374 PolarHBondContact O-N 2.96Å; Q372-K374 PolarHBondContact O-N 3.36Å; K374-E377 WeakPolarHBondContact CD-OE2 3.14Å; K374-E377 IonicContact NZ-OE2 2.74Å; K374-E377 PolarHBondContact NZ-OE2 3.49Å; K374-V378 VanDerWaalsContact O-CG2 3.32Å; K374-V378 WeakPolarHBondContact O-CG2 3.43Å; K374-V378 PolarHBondContact O-N 2.91Å |
| 375 | K | 97.8 | Very high | 97.4 | Very high | 146 Ų | 146 | 98.4 Ų | 98.4 | 64% | 0.635 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 174.4 | 179.7 | -174 | 174.7 | -175.3 | 0 | 111.4 | A371 Q372 V373 V378 L379 | A371-K375 PolarHBondContact O-N 2.9Å; Q372-K375 WeakPolarHBondContact O-CB 3.48Å; Q372-K375 PolarHBondContact O-N 2.97Å; Q372-K375 VanDerWaalsContact O-N 3.15Å; V373-K375 PolarHBondContact O-N 3.15Å; K375-V378 PolarHBondContact O-N 3.04Å; K375-L379 WeakPolarHBondContact O-CB 3.42Å; K375-L379 PolarHBondContact O-N 3.29Å |
| 376 | Y | 97.2 | Very high | 97.4 | Very high | 139 Ų | 139 | 97.5 Ų | 97.5 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 178.8 | -72 | -60 | 0 | 0 | 0 | 112.2 | Q372 V373 V378 L379 T380 | Q372-Y376 WeakPolarHBondContact O-CD2 3.46Å; Q372-Y376 PolarHBondContact O-N 3.33Å; V373-Y376 PolarHBondContact O-N 2.95Å; Y376-V378 VanDerWaalsContact C-N 3.33Å; Y376-V378 PolarHBondContact O-N 2.83Å; Y376-L379 PolarHBondContact O-N 3.18Å; Y376-T380 WeakPolarHBondContact O-CB 3.43Å; Y376-T380 PolarHBondContact O-N 2.88Å; Y376-T380 PolarHBondContact O-OG1 3.17Å |
| 377 | E | 97.8 | Very high | 97.3 | Very high | 96 Ų | 96 | 97.4 Ų | 97.4 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.8 | -46.5 | 171.8 | -75.2 | 174.9 | -178.8 | 0 | 0 | 112 | V373 K374 S381 | V373-E377 HydrophobicContact CG1-CG 4.31Å; V373-E377 WeakPolarHBondContact O-CG 3.36Å; V373-E377 PolarHBondContact O-N 3.09Å; K374-E377 WeakPolarHBondContact CD-OE2 3.14Å; K374-E377 IonicContact NZ-OE2 2.74Å; K374-E377 PolarHBondContact NZ-OE2 3.49Å; E377-S381 WeakPolarHBondContact O-CB 3.26Å; E377-S381 PolarHBondContact O-N 3.31Å |
| 378 | V | 97.5 | Very high | 97.1 | Very high | 90 Ų | 90 | 97.8 Ų | 97.8 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | K374 K375 Y376 S381 S382 | K374-V378 VanDerWaalsContact O-CG2 3.32Å; K374-V378 WeakPolarHBondContact O-CG2 3.43Å; K374-V378 PolarHBondContact O-N 2.91Å; K375-V378 PolarHBondContact O-N 3.04Å; Y376-V378 VanDerWaalsContact C-N 3.33Å; Y376-V378 PolarHBondContact O-N 2.83Å; V378-S381 PolarHBondContact O-N 3.11Å; V378-S382 WeakPolarHBondContact O-CB 3.36Å; V378-S382 PolarHBondContact O-N 3.42Å |
| 379 | L | 97.8 | Very high | 97 | Very high | 90 Ų | 90 | 101.7 Ų | 101.7 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 177.5 | -179.9 | 60.9 | 0 | 0 | 0 | 111.6 | K375 Y376 S381 S382 L383 | K375-L379 WeakPolarHBondContact O-CB 3.42Å; K375-L379 PolarHBondContact O-N 3.29Å; Y376-L379 PolarHBondContact O-N 3.18Å; L379-S381 PolarHBondContact O-N 2.99Å; L379-S382 WeakPolarHBondContact O-CB 3.48Å; L379-S382 PolarHBondContact O-N 3.41Å; L379-L383 HydrophobicContact CD1-CD1 4.28Å; L379-L383 HydrophobicContact CD1-CG 4.33Å; L379-L383 HydrophobicContact CG-CD1 4.13Å; L379-L383 WeakPolarHBondContact O-CG 3.37Å; L379-L383 PolarHBondContact O-N 2.95Å |
| 380 | T | 97 | Very high | 96.9 | Very high | 69 Ų | 69 | 101.8 Ų | 101.8 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 175.3 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | Y376 S382 L383 E384 | Y376-T380 WeakPolarHBondContact O-CB 3.43Å; Y376-T380 PolarHBondContact O-N 2.88Å; Y376-T380 PolarHBondContact O-OG1 3.17Å; T380-S382 VanDerWaalsContact C-N 3.28Å; T380-S382 PolarHBondContact O-N 3.36Å; T380-L383 PolarHBondContact O-N 2.8Å; T380-L383 VanDerWaalsContact O-N 3.17Å; T380-E384 HydrophobicContact CG2-CG 4.22Å; T380-E384 WeakPolarHBondContact O-CB 3.31Å; T380-E384 VanDerWaalsContact O-CG 3.26Å; T380-E384 WeakPolarHBondContact O-CG 3.46Å; T380-E384 PolarHBondContact O-N 2.95Å |
| 381 | S | 96.4 | Very high | 96.8 | Very high | 48 Ų | 48 | 95.6 Ų | 95.6 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 176.9 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | E377 V378 L379 K385 | E377-S381 WeakPolarHBondContact O-CB 3.26Å; E377-S381 PolarHBondContact O-N 3.31Å; V378-S381 PolarHBondContact O-N 3.11Å; L379-S381 PolarHBondContact O-N 2.99Å; S381-K385 VanDerWaalsContact O-CG 3.31Å; S381-K385 WeakPolarHBondContact O-CG 3.39Å; S381-K385 PolarHBondContact O-N 3.47Å; S381-K385 VanDerWaalsContact O-N 3.11Å |
| 382 | S | 96.5 | Very high | 96.6 | Very high | 70 Ų | 70 | 97.5 Ų | 97.5 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 174.7 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | V378 L379 T380 K385 E386 | V378-S382 WeakPolarHBondContact O-CB 3.36Å; V378-S382 PolarHBondContact O-N 3.42Å; L379-S382 WeakPolarHBondContact O-CB 3.48Å; L379-S382 PolarHBondContact O-N 3.41Å; T380-S382 VanDerWaalsContact C-N 3.28Å; T380-S382 PolarHBondContact O-N 3.36Å; S382-K385 PolarHBondContact O-N 2.74Å; S382-E386 PolarHBondContact O-N 3.22Å |
| 383 | L | 96.8 | Very high | 96.5 | Very high | 85 Ų | 85 | 96.5 Ų | 96.5 | 45% | 0.445 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 178.7 | -71.6 | 172.5 | 0 | 0 | 0 | 112 | L379 T380 K385 E386 C387 | L379-L383 HydrophobicContact CD1-CD1 4.28Å; L379-L383 HydrophobicContact CD1-CG 4.33Å; L379-L383 HydrophobicContact CG-CD1 4.13Å; L379-L383 WeakPolarHBondContact O-CG 3.37Å; L379-L383 PolarHBondContact O-N 2.95Å; T380-L383 PolarHBondContact O-N 2.8Å; T380-L383 VanDerWaalsContact O-N 3.17Å; L383-K385 VanDerWaalsContact C-N 3.34Å; L383-E386 PolarHBondContact O-N 2.69Å; L383-C387 WeakPolarHBondContact O-CB 3.27Å; L383-C387 PolarHBondContact O-N 2.83Å; L383-C387 PolarHBondContact O-SG 3.49Å |
| 384 | E | 96.8 | Very high | 96.2 | Very high | 119 Ų | 119 | 98.2 Ų | 98.2 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.8 | -46 | 172.3 | -76.2 | 171.5 | 165.8 | 0 | 0 | 110.6 | T380 C387 E388 | T380-E384 HydrophobicContact CG2-CG 4.22Å; T380-E384 WeakPolarHBondContact O-CB 3.31Å; T380-E384 VanDerWaalsContact O-CG 3.26Å; T380-E384 WeakPolarHBondContact O-CG 3.46Å; T380-E384 PolarHBondContact O-N 2.95Å; E384-C387 PolarHBondContact O-N 2.94Å; E384-E388 WeakPolarHBondContact O-CB 3.37Å; E384-E388 PolarHBondContact O-N 3.06Å |
| 385 | K | 96.7 | Very high | 96 | Very high | 139 Ų | 139 | 99.3 Ų | 99.3 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 174.7 | -73.2 | 175.8 | -176.1 | -179.2 | 0 | 112.8 | S381 S382 L383 E388 Q389 | S381-K385 VanDerWaalsContact O-CG 3.31Å; S381-K385 WeakPolarHBondContact O-CG 3.39Å; S381-K385 PolarHBondContact O-N 3.47Å; S381-K385 VanDerWaalsContact O-N 3.11Å; S382-K385 PolarHBondContact O-N 2.74Å; L383-K385 VanDerWaalsContact C-N 3.34Å; K385-E388 PolarHBondContact O-N 2.85Å; K385-Q389 WeakPolarHBondContact O-CB 3.32Å; K385-Q389 PolarHBondContact O-N 2.88Å |
| 386 | E | 96.2 | Very high | 95.7 | Very high | 81 Ų | 81 | 98.2 Ų | 98.2 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 176.1 | -171.3 | -173.3 | 157.9 | 0 | 0 | 111.2 | S382 L383 Q389 K390 | S382-E386 PolarHBondContact O-N 3.22Å; L383-E386 PolarHBondContact O-N 2.69Å; E386-Q389 PolarHBondContact O-N 3.42Å; E386-K390 WeakPolarHBondContact O-CG 3.38Å; E386-K390 PolarHBondContact O-N 3.39Å; E386-K390 VanDerWaalsContact OE1-CE 3.24Å; E386-K390 WeakPolarHBondContact OE1-CE 3.31Å; E386-K390 IonicContact OE1-NZ 2.62Å; E386-K390 PolarHBondContact OE1-NZ 2.97Å |
| 387 | C | 95.3 | Very high | 95.6 | Very high | 85 Ų | 85 | 96.7 Ų | 96.7 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 175.1 | -72 | 0 | 0 | 0 | 0 | 111.3 | L383 E384 Q389 K390 A391 | L383-C387 WeakPolarHBondContact O-CB 3.27Å; L383-C387 PolarHBondContact O-N 2.83Å; L383-C387 PolarHBondContact O-SG 3.49Å; E384-C387 PolarHBondContact O-N 2.94Å; C387-Q389 VanDerWaalsContact C-N 3.35Å; C387-Q389 PolarHBondContact O-N 3.29Å; C387-K390 PolarHBondContact O-N 3.5Å; C387-A391 VanDerWaalsContact O-CB 3.31Å; C387-A391 WeakPolarHBondContact O-CB 3.49Å; C387-A391 PolarHBondContact O-N 3.36Å |
| 388 | E | 95.7 | Very high | 95.3 | Very high | 109 Ų | 109 | 94.8 Ų | 94.8 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -41 | 176.2 | -163.1 | -168.8 | 154.7 | 0 | 0 | 111.5 | E384 K385 A391 K392 | E384-E388 WeakPolarHBondContact O-CB 3.37Å; E384-E388 PolarHBondContact O-N 3.06Å; K385-E388 PolarHBondContact O-N 2.85Å; E388-A391 PolarHBondContact O-N 3.18Å; E388-K392 WeakPolarHBondContact O-CG 3.39Å; E388-K392 PolarHBondContact O-N 2.94Å; E388-K392 WeakPolarHBondContact OE1-CE 3.47Å; E388-K392 IonicContact OE1-NZ 2.73Å; E388-K392 PolarHBondContact OE1-NZ 3.35Å |
| 389 | Q | 95.5 | Very high | 94.9 | Very high | 116 Ų | 116 | 93.3 Ų | 93.3 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 175.2 | -175 | 178.7 | 13.2 | 0 | 0 | 111.8 | K385 E386 C387 A391 K392 Q393 | K385-Q389 WeakPolarHBondContact O-CB 3.32Å; K385-Q389 PolarHBondContact O-N 2.88Å; E386-Q389 PolarHBondContact O-N 3.42Å; C387-Q389 VanDerWaalsContact C-N 3.35Å; C387-Q389 PolarHBondContact O-N 3.29Å; Q389-A391 VanDerWaalsContact C-N 3.34Å; Q389-K392 WeakPolarHBondContact O-CB 3.44Å; Q389-K392 PolarHBondContact O-N 3.27Å; Q389-Q393 WeakPolarHBondContact O-CG 3.49Å; Q389-Q393 PolarHBondContact O-N 2.99Å |
| 390 | K | 95 | Very high | 94.5 | Very high | 106 Ų | 106 | 93 Ų | 93 | 46% | 0.461 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 176.2 | -75.7 | -176.2 | -177.6 | 167.6 | 0 | 112 | E386 C387 K392 Q393 I394 | E386-K390 WeakPolarHBondContact O-CG 3.38Å; E386-K390 PolarHBondContact O-N 3.39Å; E386-K390 VanDerWaalsContact OE1-CE 3.24Å; E386-K390 WeakPolarHBondContact OE1-CE 3.31Å; E386-K390 IonicContact OE1-NZ 2.62Å; E386-K390 PolarHBondContact OE1-NZ 2.97Å; C387-K390 PolarHBondContact O-N 3.5Å; K390-K392 VanDerWaalsContact C-N 3.33Å; K390-K392 PolarHBondContact O-N 2.82Å; K390-Q393 PolarHBondContact O-N 3.32Å; K390-I394 WeakPolarHBondContact O-CB 3.44Å; K390-I394 VanDerWaalsContact O-CG1 3.27Å; K390-I394 WeakPolarHBondContact O-CG1 3.24Å; K390-I394 PolarHBondContact O-N 3.29Å |
| 391 | A | 95 | Very high | 94.2 | Very high | 56 Ų | 56 | 93 Ų | 93 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | C387 E388 Q389 I394 Q395 | C387-A391 VanDerWaalsContact O-CB 3.31Å; C387-A391 WeakPolarHBondContact O-CB 3.49Å; C387-A391 PolarHBondContact O-N 3.36Å; E388-A391 PolarHBondContact O-N 3.18Å; Q389-A391 VanDerWaalsContact C-N 3.34Å; A391-I394 PolarHBondContact O-N 2.91Å; A391-Q395 WeakPolarHBondContact O-CB 3.49Å; A391-Q395 PolarHBondContact O-N 2.81Å |
| 392 | K | 94.9 | Very high | 93.9 | Very high | 100 Ų | 100 | 95.8 Ų | 95.8 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 173.1 | -72.5 | 171.2 | -173.6 | 164.3 | 0 | 112.2 | E388 Q389 K390 I394 Q395 E396 | E388-K392 WeakPolarHBondContact O-CG 3.39Å; E388-K392 PolarHBondContact O-N 2.94Å; E388-K392 WeakPolarHBondContact OE1-CE 3.47Å; E388-K392 IonicContact OE1-NZ 2.73Å; E388-K392 PolarHBondContact OE1-NZ 3.35Å; Q389-K392 WeakPolarHBondContact O-CB 3.44Å; Q389-K392 PolarHBondContact O-N 3.27Å; K390-K392 VanDerWaalsContact C-N 3.33Å; K390-K392 PolarHBondContact O-N 2.82Å; K392-I394 PolarHBondContact O-N 2.73Å; K392-Q395 WeakPolarHBondContact O-CB 3.44Å; K392-Q395 PolarHBondContact O-N 3.45Å; K392-E396 WeakPolarHBondContact O-CB 3.27Å; K392-E396 WeakPolarHBondContact O-CG 3.41Å; K392-E396 PolarHBondContact O-N 3.42Å |
| 393 | Q | 93.9 | Very high | 93.4 | Very high | 91 Ų | 91 | 97.2 Ų | 97.2 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 176.4 | -73.2 | 175.8 | -13.5 | 0 | 0 | 112.6 | Q389 K390 Q395 E396 L397 | Q389-Q393 WeakPolarHBondContact O-CG 3.49Å; Q389-Q393 PolarHBondContact O-N 2.99Å; K390-Q393 PolarHBondContact O-N 3.32Å; Q393-Q395 VanDerWaalsContact C-N 3.33Å; Q393-E396 PolarHBondContact O-N 2.89Å; Q393-L397 WeakPolarHBondContact O-CB 3.29Å; Q393-L397 VanDerWaalsContact O-CG 3.28Å; Q393-L397 WeakPolarHBondContact O-CG 3.47Å; Q393-L397 PolarHBondContact O-N 3.47Å |
| 394 | I | 93.3 | Very high | 93 | Very high | 107 Ų | 107 | 98 Ų | 98 | 55% | 0.549 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.1 | -70.5 | 166.3 | 0 | 0 | 0 | 110.1 | K390 A391 K392 L397 S398 | K390-I394 WeakPolarHBondContact O-CB 3.44Å; K390-I394 VanDerWaalsContact O-CG1 3.27Å; K390-I394 WeakPolarHBondContact O-CG1 3.24Å; K390-I394 PolarHBondContact O-N 3.29Å; A391-I394 PolarHBondContact O-N 2.91Å; K392-I394 PolarHBondContact O-N 2.73Å; I394-L397 PolarHBondContact O-N 3.32Å; I394-S398 VanDerWaalsContact O-CB 3.27Å; I394-S398 WeakPolarHBondContact O-CB 3.24Å; I394-S398 PolarHBondContact O-N 3.47Å; I394-S398 PolarHBondContact O-OG 3.48Å |
| 395 | Q | 92.8 | Very high | 92.4 | Very high | 143 Ų | 143 | 96.8 Ų | 96.8 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 176.3 | -173.6 | -179.4 | -5 | 0 | 0 | 111.7 | A391 K392 Q393 S398 S399 | A391-Q395 WeakPolarHBondContact O-CB 3.49Å; A391-Q395 PolarHBondContact O-N 2.81Å; K392-Q395 WeakPolarHBondContact O-CB 3.44Å; K392-Q395 PolarHBondContact O-N 3.45Å; Q393-Q395 VanDerWaalsContact C-N 3.33Å; Q395-S398 PolarHBondContact O-N 3.35Å; Q395-S399 WeakPolarHBondContact O-CB 3.34Å; Q395-S399 PolarHBondContact O-N 3.45Å |
| 396 | E | 92.7 | Very high | 91.6 | Very high | 123 Ų | 123 | 95.3 Ų | 95.3 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.3 | -46.6 | 175.5 | -73.3 | 169.5 | -163.5 | 0 | 0 | 111.7 | K392 Q393 S398 S399 I400 | K392-E396 WeakPolarHBondContact O-CB 3.27Å; K392-E396 WeakPolarHBondContact O-CG 3.41Å; K392-E396 PolarHBondContact O-N 3.42Å; Q393-E396 PolarHBondContact O-N 2.89Å; E396-S398 VanDerWaalsContact C-N 3.34Å; E396-S398 PolarHBondContact O-N 2.91Å; E396-S399 WeakPolarHBondContact O-CB 3.47Å; E396-S399 PolarHBondContact O-N 2.83Å; E396-I400 WeakPolarHBondContact O-CG1 3.49Å; E396-I400 PolarHBondContact O-N 3.22Å |
| 397 | L | 93.6 | Very high | 90.9 | Very high | 108 Ų | 108 | 97.6 Ų | 97.6 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.5 | -41.4 | 175.7 | -74.5 | 172.4 | 0 | 0 | 0 | 111.6 | Q393 I394 S399 I400 C401 | Q393-L397 WeakPolarHBondContact O-CB 3.29Å; Q393-L397 VanDerWaalsContact O-CG 3.28Å; Q393-L397 WeakPolarHBondContact O-CG 3.47Å; Q393-L397 PolarHBondContact O-N 3.47Å; I394-L397 PolarHBondContact O-N 3.32Å; L397-S399 VanDerWaalsContact C-N 3.34Å; L397-I400 PolarHBondContact O-N 2.86Å; L397-C401 WeakPolarHBondContact O-CB 3.34Å; L397-C401 PolarHBondContact O-N 2.85Å; L397-C401 PolarHBondContact O-SG 3.26Å; L397-C401 VanDerWaalsContact O-SG 3.32Å |
| 398 | S | 91.6 | Very high | 89.9 | Confident | 56 Ų | 56 | 95.9 Ų | 95.9 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.7 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | I394 Q395 E396 I400 C401 D402 | I394-S398 VanDerWaalsContact O-CB 3.27Å; I394-S398 WeakPolarHBondContact O-CB 3.24Å; I394-S398 PolarHBondContact O-N 3.47Å; I394-S398 PolarHBondContact O-OG 3.48Å; Q395-S398 PolarHBondContact O-N 3.35Å; E396-S398 VanDerWaalsContact C-N 3.34Å; E396-S398 PolarHBondContact O-N 2.91Å; S398-I400 PolarHBondContact O-N 3.24Å; S398-C401 WeakPolarHBondContact O-CB 3.41Å; S398-C401 PolarHBondContact O-N 3.45Å; S398-D402 WeakPolarHBondContact O-CB 3.5Å; S398-D402 VanDerWaalsContact O-CG 3.27Å; S398-D402 PolarHBondContact O-N 2.88Å |
| 399 | S | 90.1 | Very high | 88.8 | Confident | 58 Ų | 58 | 95.8 Ų | 95.8 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 174.1 | -170 | 0 | 0 | 0 | 0 | 112.2 | Q395 E396 L397 D402 E403 | Q395-S399 WeakPolarHBondContact O-CB 3.34Å; Q395-S399 PolarHBondContact O-N 3.45Å; E396-S399 WeakPolarHBondContact O-CB 3.47Å; E396-S399 PolarHBondContact O-N 2.83Å; L397-S399 VanDerWaalsContact C-N 3.34Å; S399-D402 PolarHBondContact O-N 3.48Å; S399-E403 WeakPolarHBondContact O-CB 3.45Å; S399-E403 WeakPolarHBondContact O-CG 3.35Å; S399-E403 PolarHBondContact O-N 2.84Å |
| 400 | I | 89.3 | Confident | 87.4 | Confident | 85 Ų | 85 | 98.3 Ų | 98.3 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 176.4 | -66.3 | 163.7 | 0 | 0 | 0 | 110.7 | E396 L397 S398 E403 L404 | E396-I400 WeakPolarHBondContact O-CG1 3.49Å; E396-I400 PolarHBondContact O-N 3.22Å; L397-I400 PolarHBondContact O-N 2.86Å; S398-I400 PolarHBondContact O-N 3.24Å; I400-E403 PolarHBondContact O-N 3.39Å; I400-L404 HydrophobicContact CG2-CD1 3.93Å; I400-L404 HydrophobicContact CG2-CG 4.32Å; I400-L404 WeakPolarHBondContact O-CB 3.42Å; I400-L404 VanDerWaalsContact O-CG 3.26Å; I400-L404 WeakPolarHBondContact O-CG 3.35Å; I400-L404 PolarHBondContact O-N 2.92Å |
| 401 | C | 89.7 | Confident | 85.8 | Confident | 69 Ų | 69 | 100.2 Ų | 100.2 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.2 | -75.2 | 0 | 0 | 0 | 0 | 111.2 | L397 S398 E403 L404 I405 | L397-C401 WeakPolarHBondContact O-CB 3.34Å; L397-C401 PolarHBondContact O-N 2.85Å; L397-C401 PolarHBondContact O-SG 3.26Å; L397-C401 VanDerWaalsContact O-SG 3.32Å; S398-C401 WeakPolarHBondContact O-CB 3.41Å; S398-C401 PolarHBondContact O-N 3.45Å; C401-E403 VanDerWaalsContact C-N 3.35Å; C401-E403 PolarHBondContact O-N 2.83Å; C401-L404 PolarHBondContact O-N 3.28Å; C401-I405 WeakPolarHBondContact O-CB 3.28Å; C401-I405 VanDerWaalsContact O-CG1 3.24Å; C401-I405 WeakPolarHBondContact O-CG1 3.26Å; C401-I405 PolarHBondContact O-N 2.94Å |
| 402 | D | 90.5 | Very high | 83.9 | Confident | 106 Ų | 106 | 104.8 Ų | 104.8 | 57% | 0.567 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.5 | -40.4 | 176.6 | -69.4 | -22.1 | 0 | 0 | 0 | 111.5 | S398 S399 I405 Q406 | S398-D402 WeakPolarHBondContact O-CB 3.5Å; S398-D402 VanDerWaalsContact O-CG 3.27Å; S398-D402 PolarHBondContact O-N 2.88Å; S399-D402 PolarHBondContact O-N 3.48Å; D402-I405 PolarHBondContact O-N 3.41Å; D402-Q406 VanDerWaalsContact O-CB 3.29Å; D402-Q406 WeakPolarHBondContact O-CB 3.42Å; D402-Q406 PolarHBondContact O-N 2.96Å |
| 403 | E | 86.8 | Confident | 81.6 | Confident | 99 Ų | 99 | 106.4 Ų | 106.4 | 46% | 0.463 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.4 | -40 | 173.5 | -79.8 | -179.4 | -151.3 | 0 | 0 | 112.8 | S399 I400 C401 K407 | S399-E403 WeakPolarHBondContact O-CB 3.45Å; S399-E403 WeakPolarHBondContact O-CG 3.35Å; S399-E403 PolarHBondContact O-N 2.84Å; I400-E403 PolarHBondContact O-N 3.39Å; C401-E403 VanDerWaalsContact C-N 3.35Å; C401-E403 PolarHBondContact O-N 2.83Å; E403-K407 WeakPolarHBondContact O-CG 3.4Å; E403-K407 PolarHBondContact O-N 3.2Å |
| 404 | L | 87.4 | Confident | 81 | Confident | 103 Ų | 103 | 107.2 Ų | 107.2 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70 | -41.3 | 177.8 | -74.5 | 171.4 | 0 | 0 | 0 | 111.5 | I400 C401 K407 A408 | I400-L404 HydrophobicContact CG2-CD1 3.93Å; I400-L404 HydrophobicContact CG2-CG 4.32Å; I400-L404 WeakPolarHBondContact O-CB 3.42Å; I400-L404 VanDerWaalsContact O-CG 3.26Å; I400-L404 WeakPolarHBondContact O-CG 3.35Å; I400-L404 PolarHBondContact O-N 2.92Å; C401-L404 PolarHBondContact O-N 3.28Å; L404-K407 PolarHBondContact O-N 3.1Å; L404-A408 PolarHBondContact O-N 3.09Å |
| 405 | I | 83.8 | Confident | 80.3 | Confident | 93 Ų | 93 | 107.2 Ų | 107.2 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.3 | -48.4 | 173 | -68.9 | 165.1 | 0 | 0 | 0 | 109.2 | C401 D402 K407 A408 D409 | C401-I405 WeakPolarHBondContact O-CB 3.28Å; C401-I405 VanDerWaalsContact O-CG1 3.24Å; C401-I405 WeakPolarHBondContact O-CG1 3.26Å; C401-I405 PolarHBondContact O-N 2.94Å; D402-I405 PolarHBondContact O-N 3.41Å; I405-K407 PolarHBondContact O-N 2.85Å; I405-A408 PolarHBondContact O-N 2.87Å; I405-A408 VanDerWaalsContact O-N 3.09Å; I405-D409 WeakPolarHBondContact O-CB 3.2Å; I405-D409 VanDerWaalsContact O-CG 3.32Å; I405-D409 PolarHBondContact O-N 2.87Å |
| 406 | Q | 81.5 | Confident | 79.6 | Confident | 108 Ų | 108 | 105.2 Ų | 105.2 | 51% | 0.505 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.9 | -28.3 | 177.9 | -167.1 | 176.3 | 74.8 | 0 | 0 | 113 | D402 R410 | D402-Q406 VanDerWaalsContact O-CB 3.29Å; D402-Q406 WeakPolarHBondContact O-CB 3.42Å; D402-Q406 PolarHBondContact O-N 2.96Å; Q406-R410 WeakPolarHBondContact O-CB 3.48Å; Q406-R410 WeakPolarHBondContact O-CG 3.38Å; Q406-R410 PolarHBondContact O-N 3.19Å |
| 407 | K | 80.1 | Confident | 78.9 | Confident | 129 Ų | 129 | 104.2 Ų | 104.2 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.3 | -39.1 | 171.7 | -78.8 | 176 | -176.9 | 168.3 | 0 | 112.8 | E403 L404 I405 R410 N411 | E403-K407 WeakPolarHBondContact O-CG 3.4Å; E403-K407 PolarHBondContact O-N 3.2Å; L404-K407 PolarHBondContact O-N 3.1Å; I405-K407 PolarHBondContact O-N 2.85Å; K407-R410 PolarHBondContact O-N 3.35Å; K407-N411 PolarHBondContact O-N 3.34Å |
| 408 | A | 75 | Confident | 77.9 | Confident | 49 Ų | 49 | 103.9 Ų | 103.9 | 41% | 0.405 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.5 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L404 I405 R410 N411 D412 | L404-A408 PolarHBondContact O-N 3.09Å; I405-A408 PolarHBondContact O-N 2.87Å; I405-A408 VanDerWaalsContact O-N 3.09Å; A408-R410 PolarHBondContact O-N 3.22Å; A408-N411 PolarHBondContact O-N 3.22Å; A408-D412 PolarHBondContact O-N 2.98Å; A408-D412 VanDerWaalsContact O-N 3.1Å |
| 409 | D | 72.5 | Confident | 77 | Confident | 107 Ų | 107 | 107.1 Ų | 107.1 | 57% | 0.572 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.1 | -25.7 | 176.6 | -67.5 | -16.6 | 0 | 0 | 0 | 112.8 | I405 | I405-D409 WeakPolarHBondContact O-CB 3.2Å; I405-D409 VanDerWaalsContact O-CG 3.32Å; I405-D409 PolarHBondContact O-N 2.87Å |
| 410 | R | 65.5 | Low | 76.1 | Confident | 169 Ų | 169 | 110.6 Ų | 110.6 | 64% | 0.638 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -81.5 | -18.8 | 173 | -78.5 | 177.3 | -167.6 | 174.8 | 10.4 | 114.1 | Q406 K407 A408 | Q406-R410 WeakPolarHBondContact O-CB 3.48Å; Q406-R410 WeakPolarHBondContact O-CG 3.38Å; Q406-R410 PolarHBondContact O-N 3.19Å; K407-R410 PolarHBondContact O-N 3.35Å; A408-R410 PolarHBondContact O-N 3.22Å |
| 411 | N | 60.8 | Low | 75.1 | Confident | 146 Ų | 146 | 112.6 Ų | 112.6 | 78% | 0.781 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -96.1 | -17.7 | -179.6 | -120.4 | 25.6 | 0 | 0 | 0 | 112.4 | K407 A408 | K407-N411 PolarHBondContact O-N 3.34Å; A408-N411 PolarHBondContact O-N 3.22Å |
| 412 | D | 55.7 | Low | 73.9 | Confident | 151 Ų | 151 | 116.3 Ų | 116.3 | 81% | 0.807 | 62% | 0.619 | S | S | * | * | trans | -96.2 | 12.3 | 173.7 | -73 | -31.1 | 0 | 0 | 0 | 113.3 | A408 | A408-D412 PolarHBondContact O-N 2.98Å; A408-D412 VanDerWaalsContact O-N 3.1Å | ||
| 413 | A | 46.9 | Very low | 72.4 | Confident | 135 Ų | 135 | 117.2 Ų | 117.2 | 100% | 1.116 | 62% | 0.624 | S | S | * | * | trans | -121.5 | 0 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 413 of 413 residues in 1044.7 ms
(Link to these results)