| 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 | 40 | Very low | 34.7 | Very low | 240 Ų | 240 | 155.7 Ų | 155.7 | 100% | 1.182 | 79% | 0.789 | S | S | * | * | 0 | 142.8 | 0 | -74.6 | 166.6 | 158.3 | 0 | 0 | 108.4 | |||||
| 2 | K | 42.8 | Very low | 35 | Very low | 208 Ų | 208 | 151.3 Ų | 151.3 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | 47.8 | 85.7 | 178.4 | -63.1 | -174.6 | 177.5 | -177.6 | 0 | 114.6 | ||||
| 3 | S | 36 | Very low | 34.9 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | 72 | 109.8 | 97.1 | -157 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 4 | T | 35.2 | Very low | 34.7 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | 69.4 | 123.2 | 52.9 | -49.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 5 | F | 37 | Very low | 34.7 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | 145.5 | 138.2 | 147.1 | -95.7 | -98.7 | 0 | 0 | 0 | 108.3 | ||||
| 6 | Q | 32.6 | Very low | 34.5 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 59% | 0.593 | 76% | 0.762 | S | S | * | * | cis | 156.7 | 134.1 | -21.2 | -96.3 | -95.7 | 90.1 | 0 | 0 | 105 | ||||
| 7 | F | 31.8 | Very low | 34.5 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 65.1 | 142 | 159.5 | -75.1 | -128 | 0 | 0 | 0 | 116.9 | ||||
| 8 | T | 29.5 | Very low | 34.5 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | cis | 67.4 | 97.7 | 34.6 | 67.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 9 | K | 31.8 | Very low | 34.3 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | -178.9 | 155.2 | 121.1 | -105.4 | -178.3 | 175 | -174.9 | 0 | 114.7 | |||||
| 10 | T | 32.9 | Very low | 34.3 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | 42.7 | 122.4 | 151.9 | 52.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 11 | N | 31.8 | Very low | 34 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | 64 | 148.6 | 60.6 | -103.8 | 24.6 | 0 | 0 | 0 | 115.4 | |||||
| 12 | P | 38.2 | Very low | 33.6 | Very low | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | -138.8 | -141.5 | -128.9 | 43.9 | -22.8 | 0 | 0 | 0 | 113.6 | |||||
| 13 | S | 33.6 | Very low | 33.1 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | trans | 71.8 | 125.2 | 158.5 | 58.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 14 | N | 33.3 | Very low | 32.9 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | 161.8 | 156.4 | 128.3 | -83.9 | -13.4 | 0 | 0 | 0 | 109.5 | |||||
| 15 | N | 33.6 | Very low | 32.9 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | cis | -179.6 | 155.2 | -33.3 | -104.5 | -1.5 | 0 | 0 | 0 | 106.1 | ||||
| 16 | H | 31.7 | Very low | 32.7 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | 61.9 | 172 | 174.6 | -90.8 | -96.7 | 0 | 0 | 0 | 114.8 | ||||
| 17 | L | 34.8 | Very low | 32.9 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 67% | 0.665 | 73% | 0.726 | S | S | * | * | cis | -145.1 | 143.5 | 11.7 | -155.6 | 105.6 | 0 | 0 | 0 | 110.4 | ||||
| 18 | E | 35.4 | Very low | 32.8 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | trans | 46 | 128.6 | 145.9 | -73 | 173.5 | -143.2 | 0 | 0 | 125.7 | ||||
| 19 | N | 30.4 | Very low | 33.1 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | 63.8 | 156.3 | 122.9 | -61.7 | -27.8 | 0 | 0 | 0 | 124.1 | |||||
| 20 | L | 34.3 | Very low | 33 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | trans | 68.1 | 158.7 | 167.4 | -57.9 | 123.9 | 0 | 0 | 0 | 116.1 | ||||
| 21 | S | 28.4 | Very low | 33.1 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | cis | -178.5 | 149.7 | -35.1 | -177.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 22 | S | 30.8 | Very low | 33.3 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | 61.9 | 104.6 | 162.4 | -49 | 0 | 0 | 0 | 0 | 116 | ||||
| 23 | A | 32.1 | Very low | 33.4 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | 91.5 | 165 | 73 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 24 | D | 31.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | trans | 77.6 | 132.9 | 168.2 | -91.7 | 25.7 | 0 | 0 | 0 | 121 | ||||
| 25 | K | 36 | Very low | 33.8 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 74% | 0.735 | 76% | 0.759 | S | S | * | * | trans | 69.2 | 142 | 155 | -66.5 | 159.3 | -179.4 | 107 | 0 | 117.6 | ||||
| 26 | L | 32.6 | Very low | 34.1 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | cis | 175.5 | 134.8 | -22.1 | -140.3 | 129.9 | 0 | 0 | 0 | 102.9 | ||||
| 27 | H | 37.2 | Very low | 34.3 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | -176.3 | 120.6 | 128.3 | -108.3 | -73.1 | 0 | 0 | 0 | 111.5 | |||||
| 28 | T | 28.8 | Very low | 34.5 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 63% | 0.632 | 76% | 0.76 | S | S | * | * | trans | -82.6 | 143.8 | 169.2 | -49.5 | 0 | 0 | 0 | 0 | 109.8 | E30 | T28-E30 HydrophobicContact CG2-CG 4.38Š| ||
| 29 | C | 35.4 | Very low | 34.4 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | trans | -151.3 | 142.5 | 144.4 | -96.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 30 | E | 31.3 | Very low | 34.7 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -102.5 | 162.9 | -173.2 | -60.1 | 156.8 | 122.9 | 0 | 0 | 111.1 | T28 | T28-E30 HydrophobicContact CG2-CG 4.38Š| ||
| 31 | T | 35.3 | Very low | 34.6 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | trans | -158.7 | 137.3 | 141.3 | -66 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 32 | E | 34.6 | Very low | 35 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -65.1 | 160.1 | -167.5 | -51.7 | 166.5 | 122.6 | 0 | 0 | 117.1 | ||||
| 33 | I | 41.5 | Very low | 35.3 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -134.7 | 134.3 | 147 | -61.5 | -176.6 | 0 | 0 | 0 | 107.2 | ||||
| 34 | P | 38.8 | Very low | 35.6 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -84.1 | -170.3 | -168.8 | 33.9 | -37.8 | 0 | 0 | 0 | 115.6 | ||||
| 35 | R | 35 | Very low | 36.1 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -141.7 | 139.4 | -146.9 | 167 | -165.5 | -172.3 | 154.5 | 2 | 113.2 | ||||
| 36 | E | 39.8 | Very low | 36.2 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -159 | 124.4 | 155 | -102.9 | 160.2 | -160.1 | 0 | 0 | 106.8 | ||||
| 37 | N | 36.8 | Very low | 36.3 | Very low | 127 Ų | 127 | 142 Ų | 142 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | 67.8 | 133 | 74 | -61.9 | -13.7 | 0 | 0 | 0 | 113.5 | |||||
| 38 | S | 38.7 | Very low | 36.2 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | cis | -172.7 | 143.1 | -9.1 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 39 | N | 34.3 | Very low | 36.2 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | 63.1 | 148.1 | 147 | -58.3 | -10.6 | 0 | 0 | 0 | 123.8 | ||||
| 40 | G | 35 | Very low | 36.1 | Very low | 65 Ų | 65 | 146 Ų | 146 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | trans | 104.3 | 107.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 41 | I | 33.9 | Very low | 36.1 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | cis | 62 | 119 | 42.9 | -35.2 | 175.2 | 0 | 0 | 0 | 109.6 | ||||
| 42 | T | 36.8 | Very low | 36 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | -169 | 139.7 | 57.4 | -36.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 43 | E | 36.8 | Very low | 36 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 55.1 | 168.1 | 149 | -73.9 | -176.1 | 158.8 | 0 | 0 | 121.6 | ||||
| 44 | K | 38 | Very low | 35.5 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 67% | 0.665 | 75% | 0.752 | S | S | * | * | cis | -155.7 | 156 | 6.1 | -138.8 | 166.1 | -174.5 | 111.4 | 0 | 112.9 | ||||
| 45 | S | 41.3 | Very low | 35.4 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | 59.9 | 148.9 | 150.3 | 55.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 46 | N | 38.3 | Very low | 35.2 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | cis | -159.9 | 145.3 | -11.6 | -102.1 | 3.3 | 0 | 0 | 0 | 110.5 | ||||
| 47 | N | 35.5 | Very low | 34.9 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | 17.1 | 148 | 127.3 | -56.2 | 59.9 | 0 | 0 | 0 | 119.8 | |||||
| 48 | D | 33.9 | Very low | 34.6 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | cis | -166.2 | -169.6 | -3 | -114 | -33.7 | 0 | 0 | 0 | 112.2 | ||||
| 49 | F | 29.7 | Very low | 34.3 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 82% | 0.82 | 72% | 0.721 | S | S | * | * | trans | -34.8 | 154.2 | 160.1 | -93.7 | -124 | 0 | 0 | 0 | 114.2 | ||||
| 50 | E | 33.7 | Very low | 34.1 | Very low | 179 Ų | 179 | 130 Ų | 130 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | -161.9 | -162.3 | 57.5 | -143.7 | -177.1 | 173.8 | 0 | 0 | 114.4 | |||||
| 51 | T | 31.1 | Very low | 33.9 | Very low | 109 Ų | 109 | 132 Ų | 132 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | trans | -104.9 | 170.9 | -164 | 38.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 52 | T | 33.3 | Very low | 33.6 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | trans | 85.5 | 134.4 | 147.8 | 29 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 53 | S | 33.9 | Very low | 33.2 | Very low | 131 Ų | 131 | 137 Ų | 137 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | trans | 77.5 | 126.5 | 149.9 | -159.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 54 | G | 31.1 | Very low | 32.7 | Very low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | 175.2 | 8.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 55 | K | 36.1 | Very low | 32.2 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | 68.2 | 133.8 | 167.1 | -54.4 | 172.7 | 176.8 | 175.5 | 0 | 120.2 | ||||
| 56 | H | 32.2 | Very low | 31.6 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | 57.1 | 132.6 | 147.6 | -69.1 | -29.2 | 0 | 0 | 0 | 119.7 | ||||
| 57 | Q | 31.7 | Very low | 31.3 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 62% | 0.621 | 76% | 0.764 | S | S | * | * | cis | -153.9 | 169.9 | 19.7 | -79.2 | -140.2 | 90.8 | 0 | 0 | 110.2 | ||||
| 58 | Q | 31.9 | Very low | 30.9 | Very low | 84 Ų | 84 | 146.9 Ų | 146.9 | 39% | 0.393 | 77% | 0.771 | S | S | . | * | cis | -161.7 | 151.3 | -24.5 | -175.2 | -167.9 | 117 | 0 | 0 | 108.4 | S297 | Q58-S297 PolarHBondContact O-OG 2.87Š| ||
| 59 | S | 31 | Very low | 30.6 | Very low | 72 Ų | 72 | 149.3 Ų | 149.3 | 50% | 0.503 | 78% | 0.778 | S | S | . | * | trans | 56 | 76.8 | 158.7 | 60.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 60 | V | 31.2 | Very low | 30.7 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | 2 | 147 | 108.4 | 179.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 61 | P | 29.8 | Very low | 30.7 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | cis | -124.3 | 146.6 | 1.9 | 30.9 | -12.8 | 0 | 0 | 0 | 115.8 | ||||
| 62 | K | 28 | Very low | 30.8 | Very low | 214 Ų | 214 | 147.8 Ų | 147.8 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -112.2 | 70.6 | 167.3 | -158.5 | 171.7 | -170 | 173.2 | 0 | 111.3 | L64 | K62-L64 PolarHBondContact O-N 3.48Š| ||
| 63 | L | 28 | Very low | 30.8 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -99.3 | 68.2 | -170.1 | -155.4 | 161 | 0 | 0 | 0 | 112.2 | ||||
| 64 | L | 28 | Very low | 30.8 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 90% | 0.901 | 76% | 0.757 | S | S | * | * | trans | -168.6 | 73.9 | 164.4 | -113.7 | 165.6 | 0 | 0 | 0 | 111.2 | K62 | K62-L64 PolarHBondContact O-N 3.48Š| ||
| 65 | S | 25.7 | Very low | 31 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -156.9 | 92.9 | 166.1 | -170.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 66 | F | 28.8 | Very low | 30.8 | Very low | 212 Ų | 212 | 143.3 Ų | 143.3 | 93% | 0.93 | 73% | 0.732 | S | S | * | * | trans | -112.5 | 116.6 | 161.9 | -102.9 | -80.2 | 0 | 0 | 0 | 108.7 | H68 | F66-H68 VanDerWaalsContact C-N 3.31Å; F66-H68 PolarHBondContact O-N 2.91Å | ||
| 67 | K | 31.7 | Very low | 31.1 | Very low | 202 Ų | 202 | 141.6 Ų | 141.6 | 88% | 0.878 | 73% | 0.728 | S | S | * | * | trans | -69.5 | 90.6 | 168.7 | -83.2 | -175 | 172.1 | -178 | 0 | 109.5 | ||||
| 68 | H | 28.3 | Very low | 31.3 | Very low | 177 Ų | 177 | 144 Ų | 144 | 82% | 0.819 | 73% | 0.732 | S | S | * | * | trans | 27.8 | 101.8 | 131 | -173.3 | -69.5 | 0 | 0 | 0 | 117.4 | F66 | F66-H68 VanDerWaalsContact C-N 3.31Å; F66-H68 PolarHBondContact O-N 2.91Å | ||
| 69 | E | 27.9 | Very low | 31.4 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | trans | -146.1 | 159.5 | 156.4 | -132.2 | 167 | -164.2 | 0 | 0 | 114.3 | ||||
| 70 | S | 31.3 | Very low | 31.4 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -11.3 | 120.6 | -171.7 | -49.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 71 | K | 34 | Very low | 31.5 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | -55.5 | 149.9 | 163.5 | -53.5 | 152.4 | -177.5 | 167.2 | 0 | 114.5 | ||||
| 72 | N | 32.9 | Very low | 31.7 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | -168.7 | 137.1 | 122.8 | -89.9 | -35.3 | 0 | 0 | 0 | 109.2 | |||||
| 73 | L | 34.4 | Very low | 31.9 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 48% | 0.482 | 72% | 0.718 | S | S | . | * | cis | 90.8 | 98.8 | 39.4 | -167.9 | -180 | 0 | 0 | 0 | 112.4 | F251 | L73-F251 HydrophobicContact CD1-CE2 3.96Å; L73-F251 HydrophobicContact CD1-CZ 4.26Å; L73-F251 HydrophobicContact CD2-CE2 3.67Å; L73-F251 HydrophobicContact CD2-CZ 3.69Å; L73-F251 HydrophobicContact CG-CE2 3.81Å; L73-F251 HydrophobicContact CG-CZ 3.67Å | ||
| 74 | L | 33.3 | Very low | 32.2 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -165.3 | 145.9 | 136.6 | -151.4 | 62.2 | 0 | 0 | 0 | 115.4 | ||||
| 75 | M | 35.9 | Very low | 32.5 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | trans | 107.9 | 103.6 | 156 | -66 | -153.5 | 166.4 | 0 | 0 | 120.2 | R254 | M75-R254 PolarHBondContact O-NH1 3.09Å; M75-R254 VanDerWaalsContact O-NH1 3.14Å | ||
| 76 | T | 30.8 | Very low | 32.9 | Very low | 42 Ų | 42 | 143.2 Ų | 143.2 | 26% | 0.258 | 70% | 0.703 | S | S | . | * | trans | -154.9 | 118.8 | 132.5 | 18.5 | 0 | 0 | 0 | 0 | 110.2 | R254 | T76-R254 PolarHBondContact OG1-NH1 2.88Š| ||
| 77 | N | 38.4 | Very low | 33.2 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | trans | -149.2 | 89.6 | 157.9 | -85.5 | -38.2 | 0 | 0 | 0 | 104 | ||||
| 78 | R | 36.8 | Very low | 33.5 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 70% | 0.698 | 69% | 0.691 | S | S | * | * | cis | 62.9 | 54.7 | 44 | -111.4 | -173.5 | -173.6 | -168.7 | 1 | 112.5 | K253 | R78-K253 PolarHBondContact NH1-O 3.49Š| ||
| 79 | I | 34.2 | Very low | 33.7 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 84% | 0.841 | 69% | 0.692 | S | S | * | * | trans | -59.4 | 130.5 | 154.4 | -60.5 | 164.9 | 0 | 0 | 0 | 107.9 | ||||
| 80 | D | 30.4 | Very low | 34 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 69% | 0.69 | 70% | 0.695 | S | S | * | * | trans | -147.9 | 91.3 | 149.5 | -167.1 | -3.3 | 0 | 0 | 0 | 109.3 | G82 | D80-G82 PolarHBondContact OD1-N 3.03Å; D80-G82 VanDerWaalsContact OD1-N 3.17Å | ||
| 81 | E | 32.8 | Very low | 34.2 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 59% | 0.589 | 69% | 0.693 | S | S | * | * | trans | -125.9 | 49.8 | 157.7 | -91.3 | -177.4 | -161.1 | 0 | 0 | 109.4 | I83 R206 | E81-I83 HydrophobicContact CB-CD1 3.73Å; E81-I83 HydrophobicContact CB-CG1 4.09Å; E81-I83 HydrophobicContact CG-CD1 3.99Å; E81-I83 HydrophobicContact CG-CG1 4.3Å; E81-I83 WeakPolarHBondContact O-CD1 3.36Å; E81-I83 WeakPolarHBondContact O-CG1 3.24Å; E81-R206 IonicContact OE1-CZ 2.77Å; E81-R206 IonicContact OE1-NH1 4Å; E81-R206 PolarHBondContact OE1-NH1 3.25Å | ||
| 82 | G | 34.4 | Very low | 34.6 | Very low | 34 Ų | 34 | 136.9 Ų | 136.9 | 35% | 0.351 | 69% | 0.687 | S | S | . | * | trans | -108.4 | 56.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | D80 H369 | D80-G82 PolarHBondContact OD1-N 3.03Å; D80-G82 VanDerWaalsContact OD1-N 3.17Å; G82-H369 PolarHBondContact O-CE1 3.01Å; G82-H369 PolarHBondContact O-NE2 3.45Å | ||
| 83 | I | 32.3 | Very low | 35.1 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 57% | 0.574 | 69% | 0.69 | S | S | * | * | 34.4 | 87.6 | 86.8 | -56.7 | 175.6 | 0 | 0 | 0 | 111.5 | E81 | E81-I83 HydrophobicContact CB-CD1 3.73Å; E81-I83 HydrophobicContact CB-CG1 4.09Å; E81-I83 HydrophobicContact CG-CD1 3.99Å; E81-I83 HydrophobicContact CG-CG1 4.3Å; E81-I83 WeakPolarHBondContact O-CD1 3.36Å; E81-I83 WeakPolarHBondContact O-CG1 3.24Å | |||
| 84 | M | 34.9 | Very low | 35 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 67% | 0.665 | 69% | 0.688 | S | S | * | * | trans | -119 | 111.2 | 156.1 | -171.5 | 156 | 165.6 | 0 | 0 | 110.6 | ||||
| 85 | K | 34.6 | Very low | 35.4 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | -73.9 | 158.1 | 168.4 | -60.9 | 169.3 | -178.8 | 168.7 | 0 | 109 | ||||
| 86 | Q | 33.6 | Very low | 35.3 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 78% | 0.776 | 68% | 0.679 | S | S | * | * | trans | 88.3 | 114.5 | 161.1 | -51.5 | 171.9 | -3 | 0 | 0 | 119.2 | ||||
| 87 | H | 35 | Very low | 35.7 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.806 | 71% | 0.707 | S | S | * | * | -144.7 | 119.1 | 128.1 | -103.9 | -89.8 | 0 | 0 | 0 | 106.2 | |||||
| 88 | L | 37.2 | Very low | 35.9 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | 64.1 | 124.3 | 83.7 | -98.1 | 74.6 | 0 | 0 | 0 | 115.7 | |||||
| 89 | P | 32.4 | Very low | 36.2 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 84% | 0.844 | 71% | 0.707 | S | S | * | * | trans | -95.4 | 177.6 | 175.1 | 38.5 | -35.1 | 0 | 0 | 0 | 114.1 | ||||
| 90 | R | 35.4 | Very low | 36.4 | Very low | 244 Ų | 244 | 139.1 Ų | 139.1 | 92% | 0.921 | 70% | 0.698 | S | S | * | * | trans | -143.4 | 159.4 | -174.7 | -169.3 | -176.9 | -174.7 | -170.6 | 4.5 | 111.4 | ||||
| 91 | N | 35.2 | Very low | 37 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | trans | -144.2 | -164.2 | 179.2 | -147.1 | 21.8 | 0 | 0 | 0 | 110.3 | ||||
| 92 | V | 42.7 | Very low | 37.5 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 67% | 0.673 | 70% | 0.697 | S | S | * | * | cis | -138 | -87.5 | 17.5 | -171.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 93 | R | 43.3 | Very low | 37.7 | Very low | 222 Ų | 222 | 144.8 Ų | 144.8 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | trans | -155.9 | 160.4 | -163.5 | -77.3 | 173.1 | 179 | 175.8 | -4.6 | 110.3 | ||||
| 94 | Q | 32.8 | Very low | 38.3 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 45% | 0.453 | 72% | 0.72 | S | S | . | * | cis | 84.8 | 115 | -0.4 | -164.4 | -177.9 | 5 | 0 | 0 | 120.7 | E174 L177 | Q94-E174 WeakPolarHBondContact CG-OE1 3.48Å; Q94-E174 PolarHBondContact NE2-OE1 2.93Å; Q94-L177 HydrophobicContact CG-CD1 3.94Å | ||
| 95 | Q | 40.9 | Very low | 38.4 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | -174.2 | 139.7 | 155.4 | -174.3 | 165.3 | -9.4 | 0 | 0 | 113.9 | ||||
| 96 | N | 34.6 | Very low | 38.7 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 53% | 0.529 | 72% | 0.72 | S | S | . | * | trans | -172 | 148.7 | 160 | -105.4 | -8.2 | 0 | 0 | 0 | 111.8 | ||||
| 97 | N | 37.4 | Very low | 38.9 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | trans | -166.2 | -171.2 | 177.6 | -141.5 | 27.5 | 0 | 0 | 0 | 114 | ||||
| 98 | P | 43.7 | Very low | 39.1 | Very low | 93 Ų | 93 | 136 Ų | 136 | 60% | 0.604 | 71% | 0.713 | S | S | * | * | -133.6 | -171.5 | -97.6 | 46.6 | -29.8 | 0 | 0 | 0 | 117 | |||||
| 99 | H | 42.2 | Very low | 39.1 | Very low | 182 Ų | 182 | 136 Ų | 136 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | trans | -167 | 167.5 | 142.2 | -109.6 | -80.1 | 0 | 0 | 0 | 107 | ||||
| 100 | S | 40.1 | Very low | 39.4 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | cis | -160.1 | 179.5 | -4.3 | -135.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 101 | E | 42.8 | Very low | 39.7 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 65% | 0.654 | 69% | 0.693 | S | S | * | * | cis | -163.5 | -178.7 | -10.2 | -145.2 | -162.8 | 155 | 0 | 0 | 108.6 | ||||
| 102 | K | 42.3 | Very low | 39.9 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 62% | 0.622 | 69% | 0.691 | S | S | * | * | trans | 48.5 | 136.7 | 157.6 | -64.2 | -171.8 | 169.2 | 66.3 | 0 | 121 | ||||
| 103 | D | 39.3 | Very low | 39.8 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | cis | -163.7 | 157.2 | -3.1 | -109.6 | -26 | 0 | 0 | 0 | 112.5 | ||||
| 104 | V | 43.4 | Very low | 39.6 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | trans | 62.9 | 132.2 | 150.6 | 169.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 105 | N | 38.4 | Very low | 39.8 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 65% | 0.652 | 71% | 0.707 | S | S | * | * | cis | -165.4 | 152.6 | -7.7 | -114.9 | -9.6 | 0 | 0 | 0 | 112.4 | ||||
| 106 | I | 39.4 | Very low | 39.8 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | 49.4 | 136.7 | 133.6 | -62.6 | 171.3 | 0 | 0 | 0 | 119.6 | ||||
| 107 | C | 39.1 | Very low | 40 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | cis | -156.5 | 152.2 | 17.9 | -154.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 108 | G | 37.9 | Very low | 40.1 | Very low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 70% | 0.702 | S | S | * | * | trans | 67.6 | 166.4 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 109 | N | 37.7 | Very low | 39.9 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | cis | -167.4 | 153.1 | -22.4 | -116.8 | -0.5 | 0 | 0 | 0 | 110.9 | ||||
| 110 | H | 39.2 | Very low | 39.6 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 79% | 0.787 | 71% | 0.711 | S | S | * | * | trans | 61.6 | 158.2 | 165.9 | -83.6 | -64.8 | 0 | 0 | 0 | 118.7 | ||||
| 111 | S | 41 | Very low | 39.5 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 54% | 0.538 | 71% | 0.713 | S | S | . | * | cis | -163.2 | 158.2 | -25.2 | -138.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 112 | D | 40.7 | Very low | 39.2 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | trans | 58.2 | 162.4 | 147.3 | -66.9 | -57.9 | 0 | 0 | 0 | 122.2 | ||||
| 113 | N | 38.8 | Very low | 38.8 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 68% | 0.684 | 73% | 0.73 | S | S | * | * | -158.7 | 176.7 | -52.1 | -131.1 | -46.7 | 0 | 0 | 0 | 110.9 | |||||
| 114 | N | 40.3 | Very low | 38.5 | Very low | 125 Ų | 125 | 146 Ų | 146 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | trans | 61.7 | 110.7 | 161.1 | -72.5 | -46 | 0 | 0 | 0 | 121.4 | ||||
| 115 | R | 37.6 | Very low | 38.1 | Very low | 256 Ų | 256 | 146.3 Ų | 146.3 | 97% | 0.966 | 74% | 0.738 | S | S | * | * | trans | -140.8 | 117.2 | 137.9 | -106.6 | -170.9 | 178.9 | -164.6 | -0.3 | 110.2 | ||||
| 116 | I | 39.6 | Very low | 37.7 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 65% | 0.651 | 74% | 0.741 | S | S | * | * | trans | -124.4 | 126.4 | -166.7 | -94.5 | 174.4 | 0 | 0 | 0 | 111.6 | ||||
| 117 | L | 39.6 | Very low | 37.5 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | 59.3 | 166.6 | 158.7 | -81.4 | 44.5 | 0 | 0 | 0 | 117.1 | ||||
| 118 | K | 38.1 | Very low | 37.4 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 74% | 0.735 | 74% | 0.742 | S | S | * | * | cis | -142.8 | 116.1 | -6 | -127 | 149.9 | -172 | 171.6 | 0 | 106.6 | ||||
| 119 | Q | 40.9 | Very low | 37.2 | Very low | 151 Ų | 151 | 156.2 Ų | 156.2 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | 53 | 106.8 | 87.6 | -77.8 | -172.4 | -18.8 | 0 | 0 | 117.2 | |||||
| 120 | K | 36.5 | Very low | 37.3 | Very low | 216 Ų | 216 | 155.1 Ų | 155.1 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | -114.6 | 94.6 | 129.4 | -74.9 | -178.7 | 176.6 | 177.6 | 0 | 105.3 | |||||
| 121 | L | 36.2 | Very low | 37.4 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | 61.8 | 98.6 | 59.4 | -162.8 | 79.8 | 0 | 0 | 0 | 113.4 | |||||
| 122 | K | 37.8 | Very low | 37.2 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | -158.9 | 102.7 | 144.7 | -115.1 | 176.2 | -177.1 | -180 | 0 | 109.9 | ||||
| 123 | R | 34.4 | Very low | 36.9 | Very low | 219 Ų | 219 | 155.5 Ų | 155.5 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | 53.7 | 101.3 | 157 | -61.5 | 169.3 | -178.3 | 148 | 0.1 | 115.5 | ||||
| 124 | N | 32.5 | Very low | 36.8 | Very low | 148 Ų | 148 | 158.6 Ų | 158.6 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | 44.4 | 101.8 | 64.4 | -68.4 | 24.2 | 0 | 0 | 0 | 114 | |||||
| 125 | V | 34.5 | Very low | 36.6 | Very low | 126 Ų | 126 | 158.4 Ų | 158.4 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | -132.6 | 137.6 | 125.9 | 178.7 | 0 | 0 | 0 | 0 | 105.9 | Y127 | V125-Y127 HydrophobicContact CG1-CD2 4.05Å; V125-Y127 HydrophobicContact CG1-CE2 3.65Å | |||
| 126 | S | 31 | Very low | 36.7 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -140.5 | 132.5 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 127 | Y | 34 | Very low | 36.5 | Very low | 215 Ų | 215 | 151.8 Ų | 151.8 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -117.4 | 127.5 | 164.6 | -72.1 | -75.4 | 0 | 0 | 0 | 107.3 | V125 | V125-Y127 HydrophobicContact CG1-CD2 4.05Å; V125-Y127 HydrophobicContact CG1-CE2 3.65Å | ||
| 128 | H | 36.4 | Very low | 36.2 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | -141.6 | 104.1 | -178.8 | 179.4 | -67.6 | 0 | 0 | 0 | 108 | I130 | H128-I130 WeakPolarHBondContact ND1-CG1 3.41Š| ||
| 129 | E | 34.7 | Very low | 36.1 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -142.5 | 100.8 | -179.1 | -161.8 | 162.9 | -161.6 | 0 | 0 | 101.9 | ||||
| 130 | I | 39.9 | Very low | 36.2 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 62% | 0.621 | 76% | 0.763 | S | S | * | * | 67 | 149.3 | 61.2 | -51.1 | 174.2 | 0 | 0 | 0 | 110.1 | H128 | H128-I130 WeakPolarHBondContact ND1-CG1 3.41Š| |||
| 131 | V | 40.7 | Very low | 36.3 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 77.8 | 128.8 | -177.6 | -169.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 132 | D | 37.4 | Very low | 36.5 | Very low | 129 Ų | 129 | 142 Ų | 142 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | cis | -164.1 | 175.5 | -31.4 | -115.3 | -49.7 | 0 | 0 | 0 | 109 | ||||
| 133 | T | 34.2 | Very low | 36.4 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | 172.9 | 107.7 | 129.2 | 27.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 134 | K | 37.5 | Very low | 36.9 | Very low | 193 Ų | 193 | 138 Ų | 138 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | S | Bend | -173.8 | 137.6 | 118.6 | -106.2 | 173.8 | -178.8 | -179.3 | 0 | 111.3 | |||
| 135 | S | 35 | Very low | 37.3 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | 66 | 135.8 | -173.3 | 85.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 136 | V | 39.2 | Very low | 37.5 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | cis | -137.7 | 146.8 | 6.4 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 137 | D | 36 | Very low | 38 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | 62.4 | 116.8 | 156.3 | -72.7 | 10.9 | 0 | 0 | 0 | 125.4 | ||||
| 138 | N | 34.4 | Very low | 38.4 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | 90.7 | 137.3 | 119.6 | -69.2 | -29.5 | 0 | 0 | 0 | 124.3 | |||||
| 139 | S | 36 | Very low | 38.4 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 83.1 | 88.8 | 154.1 | 68.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 140 | S | 42.3 | Very low | 38.6 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | 62.7 | 120.2 | 121.7 | 65.3 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 141 | N | 38.7 | Very low | 38.6 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | 68.3 | 85.8 | 126.6 | -61.4 | -15.3 | 0 | 0 | 0 | 121.1 | |||||
| 142 | A | 39.3 | Very low | 38.5 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | 72.2 | 158.8 | 106.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 143 | R | 36.5 | Very low | 38.6 | Very low | 233 Ų | 233 | 134.2 Ų | 134.2 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | 72.6 | 99.4 | 156.3 | -99.1 | -172.9 | 164.3 | -177.8 | -3.4 | 119.4 | ||||
| 144 | S | 44.1 | Very low | 38.9 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | 99.2 | 151.4 | 107.2 | 80.8 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 145 | K | 41.6 | Very low | 39 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | trans | 76.4 | 148.8 | 159.2 | -61.1 | 166.9 | -173.4 | 177.6 | 0 | 117.6 | ||||
| 146 | N | 39.5 | Very low | 39.2 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | cis | -175 | 163.7 | -30.5 | -104.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 147 | Y | 40.8 | Very low | 39.2 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | trans | 65.1 | 152.3 | 164.4 | -42.1 | -56.5 | 0 | 0 | 0 | 115.6 | ||||
| 148 | Y | 41.8 | Very low | 39.4 | Very low | 213 Ų | 213 | 132.8 Ų | 132.8 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | cis | -126.7 | 139.2 | 8.5 | -79.8 | -107.6 | 0 | 0 | 0 | 109 | ||||
| 149 | S | 37.1 | Very low | 39.8 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | 71.9 | 105.2 | 51.5 | -66.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 150 | S | 39.4 | Very low | 39.9 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 92% | 0.923 | 76% | 0.76 | S | S | * | * | trans | -160.9 | 88.3 | 157.6 | -79.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 151 | S | 38.7 | Very low | 39.8 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -111.4 | 144.8 | -175.5 | -60.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 152 | S | 38.7 | Very low | 39.8 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -161.1 | 92.1 | 162.1 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 153 | S | 39.3 | Very low | 40 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | cis | 81.5 | 92.1 | 44 | 88.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 154 | T | 41.5 | Very low | 40.3 | Very low | 146 Ų | 146 | 130 Ų | 130 | 90% | 0.896 | 76% | 0.763 | S | S | * | * | trans | -132.2 | 132 | 148.4 | -45.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 155 | M | 40.2 | Very low | 40.2 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 89% | 0.892 | 78% | 0.778 | S | S | * | * | trans | -107.9 | -175.1 | -169.8 | -72.7 | -179.8 | 62 | 0 | 0 | 112.7 | ||||
| 156 | S | 38 | Very low | 40.2 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 99.3 | 126.4 | 172.3 | -144 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 157 | S | 40 | Very low | 40.4 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | cis | -176.8 | 148.7 | -7.2 | 37.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 158 | V | 40.2 | Very low | 40.5 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 66.3 | 130.6 | 147.5 | 165.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 159 | T | 42.1 | Very low | 40.7 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | cis | -149.1 | 170.6 | 6.7 | -3.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 160 | E | 37.9 | Very low | 41.1 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -20 | 142 | 161.5 | -62.3 | 155.4 | 134.7 | 0 | 0 | 117.4 | ||||
| 161 | S | 40 | Very low | 41.7 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | -167.4 | 161.8 | 75.5 | 38.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 162 | S | 40 | Very low | 42.1 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -106.8 | 150.5 | -174 | 56.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 163 | T | 43.8 | Very low | 43.2 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | 171.3 | 155.5 | 120 | 33.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 164 | S | 42.6 | Very low | 44.1 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | 74 | 119.4 | 160.7 | 80.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 165 | Q | 40.1 | Very low | 44.8 | Very low | 195 Ų | 195 | 126.9 Ų | 126.9 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | trans | -119.8 | 125.9 | 172.9 | 169.8 | -171.5 | 7.9 | 0 | 0 | 105.8 | ||||
| 166 | K | 41.8 | Very low | 45.7 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | trans | -149.7 | 107.4 | 179.3 | -146.9 | 167.7 | -172.9 | 179 | 0 | 115.8 | ||||
| 167 | Y | 43.7 | Very low | 47.1 | Very low | 207 Ų | 207 | 124 Ų | 124 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | 72.5 | 165.1 | 153.7 | -81.8 | -114.4 | 0 | 0 | 0 | 118.8 | ||||
| 168 | T | 43.8 | Very low | 48.3 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | trans | -141.8 | 177.1 | -144.6 | 46.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 169 | D | 45.3 | Very low | 49.6 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | trans | 74.1 | 145 | 158.8 | -45.4 | -54 | 0 | 0 | 0 | 119.2 | ||||
| 170 | S | 46.8 | Very low | 51 | Low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | cis | -161 | 135.7 | -35.5 | 55.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 171 | V | 51.8 | Low | 52.8 | Low | 147 Ų | 147 | 123.2 Ų | 123.2 | 89% | 0.891 | 68% | 0.684 | S | S | * | * | trans | -131.3 | 118.6 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 172 | S | 47.3 | Very low | 54.3 | Low | 83 Ų | 83 | 125.4 Ų | 125.4 | 58% | 0.58 | 68% | 0.678 | S | S | * | * | trans | -82.4 | 126 | -170.6 | -169.9 | 0 | 0 | 0 | 0 | 113.3 | E174 | S172-E174 PolarHBondContact O-N 2.93Š| ||
| 173 | P | 61.4 | Low | 55.9 | Low | 85 Ų | 85 | 125.8 Ų | 125.8 | 55% | 0.552 | 67% | 0.671 | S | S | * | * | trans | -87.8 | -0.7 | -167.9 | 34.3 | -37.7 | 0 | 0 | 0 | 116.1 | A175 | P173-A175 PolarHBondContact O-N 2.87Š| ||
| 174 | E | 58.4 | Low | 57.3 | Low | 52 Ų | 52 | 126.1 Ų | 126.1 | 24% | 0.243 | 66% | 0.663 | C | S | . | * | H | α-helix | trans | -61.5 | -38.5 | -159.8 | -151.6 | 65.4 | -157.8 | 0 | 0 | 114.7 | Q94 S172 H176 L177 | Q94-E174 WeakPolarHBondContact CG-OE1 3.48Å; Q94-E174 PolarHBondContact NE2-OE1 2.93Å; S172-E174 PolarHBondContact O-N 2.93Å; E174-H176 PolarHBondContact O-N 3.38Å; E174-L177 PolarHBondContact O-N 2.93Å |
| 175 | A | 56.7 | Low | 58.7 | Low | 75 Ų | 75 | 129.8 Ų | 129.8 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.3 | -34.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P173 L177 S178 | P173-A175 PolarHBondContact O-N 2.87Å; A175-L177 VanDerWaalsContact C-N 3.31Å; A175-L177 PolarHBondContact O-N 3.4Å; A175-S178 PolarHBondContact O-OG 2.95Å |
| 176 | H | 58.7 | Low | 60.2 | Low | 160 Ų | 160 | 127.6 Ų | 127.6 | 74% | 0.741 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.1 | -26.6 | -175.1 | -84.4 | -119.8 | 0 | 0 | 0 | 113.1 | E174 S178 L180 | E174-H176 PolarHBondContact O-N 3.38Å; H176-S178 VanDerWaalsContact C-N 3.3Å; H176-S178 PolarHBondContact O-N 3.14Å; H176-L180 PolarHBondContact O-N 3.16Å |
| 177 | L | 66.4 | Low | 61.7 | Low | 72 Ų | 72 | 121 Ų | 121 | 38% | 0.377 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.7 | -31.5 | -176.8 | -60.7 | 177.2 | 0 | 0 | 0 | 112.7 | Q94 E174 A175 K181 | Q94-L177 HydrophobicContact CG-CD1 3.94Å; E174-L177 PolarHBondContact O-N 2.93Å; A175-L177 VanDerWaalsContact C-N 3.31Å; A175-L177 PolarHBondContact O-N 3.4Å; L177-K181 WeakPolarHBondContact O-CB 3.37Å; L177-K181 PolarHBondContact O-N 3.42Å |
| 178 | S | 66.3 | Low | 63 | Low | 73 Ų | 73 | 113.7 Ų | 113.7 | 51% | 0.51 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.5 | -46.5 | -177.8 | 69.8 | 0 | 0 | 0 | 0 | 113.2 | A175 H176 K181 K182 | A175-S178 PolarHBondContact O-OG 2.95Å; H176-S178 VanDerWaalsContact C-N 3.3Å; H176-S178 PolarHBondContact O-N 3.14Å; S178-K181 PolarHBondContact O-N 2.82Å; S178-K182 PolarHBondContact O-N 3.07Å |
| 179 | K | 67.8 | Low | 64.1 | Low | 159 Ų | 159 | 118.4 Ų | 118.4 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.3 | -44.3 | 176 | -72.2 | 179.7 | 178.8 | 173.8 | 0 | 110.5 | K181 K182 I183 | K179-K181 VanDerWaalsContact C-N 3.3Å; K179-K181 PolarHBondContact O-N 3.05Å; K179-K182 PolarHBondContact O-N 3.32Å; K179-I183 WeakPolarHBondContact O-CG1 3.29Å; K179-I183 PolarHBondContact O-N 3.07Å |
| 180 | L | 70.8 | Confident | 65.4 | Low | 118 Ų | 118 | 120.1 Ų | 120.1 | 62% | 0.618 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -57.8 | -41.8 | 178.1 | -153.2 | 73.4 | 0 | 0 | 0 | 111.9 | H176 I183 H184 | H176-L180 PolarHBondContact O-N 3.16Å; L180-I183 PolarHBondContact O-N 3.34Å; L180-H184 WeakPolarHBondContact O-CB 3.44Å; L180-H184 PolarHBondContact O-N 2.9Å |
| 181 | K | 74.5 | Confident | 66.5 | Low | 138 Ų | 138 | 120.5 Ų | 120.5 | 60% | 0.6 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.4 | -37.1 | 178.4 | -158.3 | 168.5 | -169.2 | 167.8 | 0 | 113.2 | L177 S178 K179 R185 | L177-K181 WeakPolarHBondContact O-CB 3.37Å; L177-K181 PolarHBondContact O-N 3.42Å; S178-K181 PolarHBondContact O-N 2.82Å; K179-K181 VanDerWaalsContact C-N 3.3Å; K179-K181 PolarHBondContact O-N 3.05Å; K181-R185 PolarHBondContact O-N 3.47Å |
| 182 | K | 73.3 | Confident | 67.5 | Low | 172 Ų | 172 | 120 Ų | 120 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.4 | -43.3 | 172.8 | -75.8 | -176.7 | 177.5 | 177.5 | 0 | 111.5 | S178 K179 R185 K186 | S178-K182 PolarHBondContact O-N 3.07Å; K179-K182 PolarHBondContact O-N 3.32Å; K182-R185 PolarHBondContact O-N 3.31Å; K182-K186 PolarHBondContact O-N 3.44Å |
| 183 | I | 73.5 | Confident | 68.7 | Low | 111 Ų | 111 | 122.3 Ų | 122.3 | 57% | 0.569 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.9 | -46.3 | 177.5 | -65.4 | 168.3 | 0 | 0 | 0 | 110.8 | K179 L180 R185 K186 A187 | K179-I183 WeakPolarHBondContact O-CG1 3.29Å; K179-I183 PolarHBondContact O-N 3.07Å; L180-I183 PolarHBondContact O-N 3.34Å; I183-R185 VanDerWaalsContact C-N 3.32Å; I183-R185 PolarHBondContact O-N 2.86Å; I183-K186 PolarHBondContact O-N 3.26Å; I183-A187 PolarHBondContact O-N 3.07Å |
| 184 | H | 72.1 | Confident | 69.4 | Low | 138 Ų | 138 | 126 Ų | 126 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.7 | -39.6 | 179 | -170.8 | -104.7 | 0 | 0 | 0 | 112.6 | L180 A187 S188 | L180-H184 WeakPolarHBondContact O-CB 3.44Å; L180-H184 PolarHBondContact O-N 2.9Å; H184-A187 PolarHBondContact O-N 2.98Å; H184-S188 VanDerWaalsContact O-CB 3.27Å; H184-S188 WeakPolarHBondContact O-CB 3.22Å; H184-S188 PolarHBondContact O-N 2.87Å |
| 185 | R | 71.3 | Confident | 70.1 | Confident | 197 Ų | 197 | 131.5 Ų | 131.5 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63 | -40.5 | 172.3 | -83.2 | -173.8 | 168.7 | -173.6 | -2.1 | 112.8 | K181 K182 I183 R189 | K181-R185 PolarHBondContact O-N 3.47Å; K182-R185 PolarHBondContact O-N 3.31Å; I183-R185 VanDerWaalsContact C-N 3.32Å; I183-R185 PolarHBondContact O-N 2.86Å; R185-R189 PolarHBondContact O-N 2.94Å |
| 186 | K | 73.3 | Confident | 70.9 | Confident | 149 Ų | 149 | 134.4 Ų | 134.4 | 65% | 0.648 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.5 | -38.2 | 178.7 | -162.2 | 171.4 | -176.3 | 176.7 | 0 | 111.9 | K182 I183 R190 | K182-K186 PolarHBondContact O-N 3.44Å; I183-K186 PolarHBondContact O-N 3.26Å; K186-R190 PolarHBondContact O-N 3.48Å |
| 187 | A | 71.8 | Confident | 71.9 | Confident | 47 Ų | 47 | 134.9 Ų | 134.9 | 39% | 0.388 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.1 | -45.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I183 H184 R189 R190 K191 | I183-A187 PolarHBondContact O-N 3.07Å; H184-A187 PolarHBondContact O-N 2.98Å; A187-R189 VanDerWaalsContact C-N 3.34Å; A187-R189 PolarHBondContact O-N 3.48Å; A187-R190 WeakPolarHBondContact O-CB 3.39Å; A187-R190 PolarHBondContact O-N 2.86Å; A187-K191 PolarHBondContact O-N 3.5Å |
| 188 | S | 71 | Confident | 72.3 | Confident | 54 Ų | 54 | 133.5 Ų | 133.5 | 38% | 0.378 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.7 | -40.7 | 179.2 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | H184 R190 K191 K192 | H184-S188 VanDerWaalsContact O-CB 3.27Å; H184-S188 WeakPolarHBondContact O-CB 3.22Å; H184-S188 PolarHBondContact O-N 2.87Å; S188-R190 VanDerWaalsContact C-N 3.34Å; S188-R190 PolarHBondContact O-N 3.28Å; S188-K191 PolarHBondContact O-N 2.92Å; S188-K192 PolarHBondContact O-N 3.46Å; S188-K192 VanDerWaalsContact O-N 3.15Å |
| 189 | R | 67.5 | Low | 72.9 | Confident | 206 Ų | 206 | 133.5 Ų | 133.5 | 78% | 0.777 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.9 | -41.5 | 172.7 | -75.2 | -175.6 | 176.3 | -171.1 | -1.1 | 112.3 | R185 A187 K192 L193 | R185-R189 PolarHBondContact O-N 2.94Å; A187-R189 VanDerWaalsContact C-N 3.34Å; A187-R189 PolarHBondContact O-N 3.48Å; R189-K192 PolarHBondContact O-N 3.27Å; R189-L193 PolarHBondContact O-N 2.88Å; R189-L193 VanDerWaalsContact O-N 3.15Å |
| 190 | R | 73 | Confident | 73.4 | Confident | 179 Ų | 179 | 133.1 Ų | 133.1 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.5 | -41.8 | 177.8 | -74.6 | -179.9 | 168.5 | -175.6 | -5.6 | 112.7 | K186 A187 S188 L193 K194 | K186-R190 PolarHBondContact O-N 3.48Å; A187-R190 WeakPolarHBondContact O-CB 3.39Å; A187-R190 PolarHBondContact O-N 2.86Å; S188-R190 VanDerWaalsContact C-N 3.34Å; S188-R190 PolarHBondContact O-N 3.28Å; R190-L193 PolarHBondContact O-N 3.44Å; R190-K194 PolarHBondContact O-N 3.21Å |
| 191 | K | 70.5 | Confident | 73.7 | Confident | 115 Ų | 115 | 131.1 Ų | 131.1 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.4 | -47 | 174.2 | -77.5 | -151 | 175.1 | -159.3 | 0 | 111.7 | A187 S188 L193 K194 Y195 D435 | A187-K191 PolarHBondContact O-N 3.5Å; S188-K191 PolarHBondContact O-N 2.92Å; K191-L193 PolarHBondContact O-N 3.34Å; K191-K194 PolarHBondContact O-N 2.72Å; K191-Y195 PolarHBondContact O-N 2.89Å; K191-D435 WeakPolarHBondContact CE-OD2 3.45Å; K191-D435 IonicContact NZ-OD2 3.9Å; K191-D435 PolarHBondContact NZ-OD2 2.86Å |
| 192 | K | 71 | Confident | 73.7 | Confident | 138 Ų | 138 | 130.1 Ų | 130.1 | 60% | 0.6 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.8 | -41.9 | 178.4 | -69.4 | -167.9 | 177.7 | -163.8 | 0 | 113.1 | S188 R189 K194 Y195 F196 | S188-K192 PolarHBondContact O-N 3.46Å; S188-K192 VanDerWaalsContact O-N 3.15Å; R189-K192 PolarHBondContact O-N 3.27Å; K192-K194 PolarHBondContact O-N 3.02Å; K192-Y195 PolarHBondContact O-N 2.93Å; K192-F196 VanDerWaalsContact O-CD2 3.25Å; K192-F196 WeakPolarHBondContact O-CD2 3.3Å; K192-F196 PolarHBondContact O-N 3.46Å |
| 193 | L | 72.7 | Confident | 73.9 | Confident | 130 Ų | 130 | 126.1 Ų | 126.1 | 68% | 0.681 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.6 | -36.8 | -179.9 | -167.7 | 68.1 | 0 | 0 | 0 | 112.7 | R189 R190 K191 K197 | R189-L193 PolarHBondContact O-N 2.88Å; R189-L193 VanDerWaalsContact O-N 3.15Å; R190-L193 PolarHBondContact O-N 3.44Å; K191-L193 PolarHBondContact O-N 3.34Å; L193-K197 PolarHBondContact O-N 3.44Å |
| 194 | K | 77.3 | Confident | 74.1 | Confident | 163 Ų | 163 | 122.7 Ų | 122.7 | 71% | 0.709 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.9 | -48.8 | 171.8 | -78.4 | -171.1 | 170.1 | -167.3 | 0 | 111.5 | R190 K191 K192 F196 K197 G198 | R190-K194 PolarHBondContact O-N 3.21Å; K191-K194 PolarHBondContact O-N 2.72Å; K192-K194 PolarHBondContact O-N 3.02Å; K194-F196 PolarHBondContact O-N 3.17Å; K194-K197 PolarHBondContact O-N 3.46Å; K194-G198 PolarHBondContact O-N 3.04Å |
| 195 | Y | 73.2 | Confident | 74.5 | Confident | 167 Ų | 167 | 119.6 Ų | 119.6 | 66% | 0.655 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61 | -44.9 | -179.1 | -172.5 | -110.5 | 0 | 0 | 0 | 112.2 | K191 K192 K197 G198 I199 | K191-Y195 PolarHBondContact O-N 2.89Å; K192-Y195 PolarHBondContact O-N 2.93Å; Y195-K197 PolarHBondContact O-N 3.16Å; Y195-G198 PolarHBondContact O-N 2.92Å; Y195-I199 HydrophobicContact CD1-CD1 3.77Å; Y195-I199 HydrophobicContact CE1-CD1 3.35Å; Y195-I199 HydrophobicContact CE1-CG1 4.43Å; Y195-I199 HydrophobicContact CE2-CD1 4.38Å; Y195-I199 HydrophobicContact CG-CD1 4.45Å; Y195-I199 PolarHBondContact O-N 3.35Å |
| 196 | F | 73.7 | Confident | 74.9 | Confident | 137 Ų | 137 | 116 Ų | 116 | 60% | 0.601 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 174.2 | -79.6 | -65.3 | 0 | 0 | 0 | 113.2 | K192 K194 G198 I199 F200 | K192-F196 VanDerWaalsContact O-CD2 3.25Å; K192-F196 WeakPolarHBondContact O-CD2 3.3Å; K192-F196 PolarHBondContact O-N 3.46Å; K194-F196 PolarHBondContact O-N 3.17Å; F196-G198 VanDerWaalsContact C-N 3.33Å; F196-G198 PolarHBondContact O-N 2.96Å; F196-I199 PolarHBondContact O-N 2.98Å; F196-F200 WeakPolarHBondContact O-CB 3.36Å; F196-F200 PolarHBondContact O-N 3.35Å |
| 197 | K | 78.6 | Confident | 75.3 | Confident | 170 Ų | 170 | 113.4 Ų | 113.4 | 74% | 0.739 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.3 | -38.1 | 175 | -173 | 174 | -179.6 | 177.9 | 0 | 111.9 | L193 K194 Y195 C201 | L193-K197 PolarHBondContact O-N 3.44Å; K194-K197 PolarHBondContact O-N 3.46Å; Y195-K197 PolarHBondContact O-N 3.16Å; K197-C201 WeakPolarHBondContact O-CB 3.44Å; K197-C201 PolarHBondContact O-N 3.32Å; K197-C201 VanDerWaalsContact O-N 3.12Å |
| 198 | G | 75.2 | Confident | 75.9 | Confident | 43 Ų | 43 | 116.1 Ų | 116.1 | 44% | 0.443 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.9 | -51.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K194 Y195 F196 F200 C201 F202 | K194-G198 PolarHBondContact O-N 3.04Å; Y195-G198 PolarHBondContact O-N 2.92Å; F196-G198 VanDerWaalsContact C-N 3.33Å; F196-G198 PolarHBondContact O-N 2.96Å; G198-F200 PolarHBondContact O-N 3.12Å; G198-C201 PolarHBondContact O-N 3.33Å; G198-F202 PolarHBondContact O-N 2.88Å |
| 199 | I | 78 | Confident | 76.4 | Confident | 73 Ų | 73 | 114.6 Ų | 114.6 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 176.8 | -69.2 | 171.9 | 0 | 0 | 0 | 111.1 | Y195 F196 C201 F202 L203 | Y195-I199 HydrophobicContact CD1-CD1 3.77Å; Y195-I199 HydrophobicContact CE1-CD1 3.35Å; Y195-I199 HydrophobicContact CE1-CG1 4.43Å; Y195-I199 HydrophobicContact CE2-CD1 4.38Å; Y195-I199 HydrophobicContact CG-CD1 4.45Å; Y195-I199 PolarHBondContact O-N 3.35Å; F196-I199 PolarHBondContact O-N 2.98Å; I199-C201 VanDerWaalsContact C-N 3.27Å; I199-C201 PolarHBondContact O-N 2.84Å; I199-F202 PolarHBondContact O-N 2.94Å; I199-L203 WeakPolarHBondContact O-CB 3.3Å; I199-L203 PolarHBondContact O-N 2.95Å |
| 200 | F | 78.5 | Confident | 77.2 | Confident | 151 Ų | 151 | 109.4 Ų | 109.4 | 66% | 0.662 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -37.2 | -178.1 | -169.1 | -93 | 0 | 0 | 0 | 112.1 | F196 G198 S204 | F196-F200 WeakPolarHBondContact O-CB 3.36Å; F196-F200 PolarHBondContact O-N 3.35Å; G198-F200 PolarHBondContact O-N 3.12Å; F200-S204 VanDerWaalsContact O-CB 3.3Å; F200-S204 WeakPolarHBondContact O-CB 3.46Å; F200-S204 PolarHBondContact O-N 3.47Å; F200-S204 PolarHBondContact O-OG 3.39Å; F200-S204 VanDerWaalsContact O-OG 3.13Å |
| 201 | C | 77.3 | Confident | 77.9 | Confident | 75 Ų | 75 | 106.9 Ų | 106.9 | 51% | 0.507 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.1 | -45.2 | 174.8 | -168.8 | 0 | 0 | 0 | 0 | 112.7 | K197 G198 I199 L203 S204 V205 | K197-C201 WeakPolarHBondContact O-CB 3.44Å; K197-C201 PolarHBondContact O-N 3.32Å; K197-C201 VanDerWaalsContact O-N 3.12Å; G198-C201 PolarHBondContact O-N 3.33Å; I199-C201 VanDerWaalsContact C-N 3.27Å; I199-C201 PolarHBondContact O-N 2.84Å; C201-L203 VanDerWaalsContact C-N 3.34Å; C201-L203 PolarHBondContact O-N 3.36Å; C201-S204 PolarHBondContact O-OG 3.14Å; C201-S204 VanDerWaalsContact O-OG 3.11Å; C201-V205 WeakPolarHBondContact O-CB 3.49Å; C201-V205 VanDerWaalsContact O-CG2 3.31Å; C201-V205 WeakPolarHBondContact O-CG2 3.17Å; C201-V205 PolarHBondContact O-N 3.41Å; C201-V205 VanDerWaalsContact O-N 3.1Å |
| 202 | F | 75.3 | Confident | 78.7 | Confident | 117 Ų | 117 | 103.3 Ų | 103.3 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.4 | -179.2 | -94.3 | 0 | 0 | 0 | 111.9 | G198 I199 R206 | G198-F202 PolarHBondContact O-N 2.88Å; I199-F202 PolarHBondContact O-N 2.94Å; F202-R206 WeakPolarHBondContact O-CB 3.37Å; F202-R206 PolarHBondContact O-N 2.84Å |
| 203 | L | 76.6 | Confident | 79.5 | Confident | 89 Ų | 89 | 99.4 Ų | 99.4 | 47% | 0.466 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.2 | -42.4 | -179.3 | -167.4 | 69.1 | 0 | 0 | 0 | 111.5 | I199 C201 R206 I207 | I199-L203 WeakPolarHBondContact O-CB 3.3Å; I199-L203 PolarHBondContact O-N 2.95Å; C201-L203 VanDerWaalsContact C-N 3.34Å; C201-L203 PolarHBondContact O-N 3.36Å; L203-R206 PolarHBondContact O-N 3.2Å; L203-I207 HydrophobicContact CD1-CD1 3.8Å; L203-I207 HydrophobicContact CD1-CG1 4.21Å; L203-I207 HydrophobicContact CD2-CD1 4.31Å; L203-I207 HydrophobicContact CG-CD1 3.7Å; L203-I207 HydrophobicContact CG-CG1 4.3Å; L203-I207 VanDerWaalsContact O-CB 3.29Å; L203-I207 WeakPolarHBondContact O-CB 3.44Å; L203-I207 VanDerWaalsContact O-CG1 3.3Å; L203-I207 WeakPolarHBondContact O-CG1 3.19Å; L203-I207 PolarHBondContact O-N 2.91Å |
| 204 | S | 78.9 | Confident | 80.3 | Confident | 39 Ų | 39 | 98.3 Ų | 98.3 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 176.5 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | F200 C201 R206 I207 I208 | F200-S204 VanDerWaalsContact O-CB 3.3Å; F200-S204 WeakPolarHBondContact O-CB 3.46Å; F200-S204 PolarHBondContact O-N 3.47Å; F200-S204 PolarHBondContact O-OG 3.39Å; F200-S204 VanDerWaalsContact O-OG 3.13Å; C201-S204 PolarHBondContact O-OG 3.14Å; C201-S204 VanDerWaalsContact O-OG 3.11Å; S204-R206 VanDerWaalsContact C-N 3.34Å; S204-R206 PolarHBondContact O-N 2.94Å; S204-I207 PolarHBondContact O-N 3.22Å; S204-I208 VanDerWaalsContact O-CB 3.26Å; S204-I208 WeakPolarHBondContact O-CB 3.15Å; S204-I208 WeakPolarHBondContact O-CD1 3.31Å; S204-I208 WeakPolarHBondContact O-CG1 3.5Å; S204-I208 PolarHBondContact O-N 3.37Å |
| 205 | V | 79.7 | Confident | 80.9 | Confident | 73 Ų | 73 | 93 Ų | 93 | 44% | 0.442 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | C201 L209 | C201-V205 WeakPolarHBondContact O-CB 3.49Å; C201-V205 VanDerWaalsContact O-CG2 3.31Å; C201-V205 WeakPolarHBondContact O-CG2 3.17Å; C201-V205 PolarHBondContact O-N 3.41Å; C201-V205 VanDerWaalsContact O-N 3.1Å; V205-L209 WeakPolarHBondContact O-CB 3.4Å; V205-L209 PolarHBondContact O-N 3.31Å |
| 206 | R | 79.3 | Confident | 81.7 | Confident | 120 Ų | 120 | 85.1 Ų | 85.1 | 45% | 0.453 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -73.9 | -37.8 | -179.2 | -162.8 | 175.2 | -174.3 | -165.1 | -2.6 | 113 | E81 F202 L203 S204 L210 | E81-R206 IonicContact OE1-CZ 2.77Å; E81-R206 IonicContact OE1-NH1 4Å; E81-R206 PolarHBondContact OE1-NH1 3.25Å; F202-R206 WeakPolarHBondContact O-CB 3.37Å; F202-R206 PolarHBondContact O-N 2.84Å; L203-R206 PolarHBondContact O-N 3.2Å; S204-R206 VanDerWaalsContact C-N 3.34Å; S204-R206 PolarHBondContact O-N 2.94Å; R206-L210 WeakPolarHBondContact O-CG 3.43Å; R206-L210 PolarHBondContact O-N 2.99Å |
| 207 | I | 82.8 | Confident | 82.4 | Confident | 95 Ų | 95 | 83.3 Ų | 83.3 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73.2 | -44 | 178.4 | -69.6 | -178.6 | 0 | 0 | 0 | 111.4 | L203 S204 L209 L210 F211 | L203-I207 HydrophobicContact CD1-CD1 3.8Å; L203-I207 HydrophobicContact CD1-CG1 4.21Å; L203-I207 HydrophobicContact CD2-CD1 4.31Å; L203-I207 HydrophobicContact CG-CD1 3.7Å; L203-I207 HydrophobicContact CG-CG1 4.3Å; L203-I207 VanDerWaalsContact O-CB 3.29Å; L203-I207 WeakPolarHBondContact O-CB 3.44Å; L203-I207 VanDerWaalsContact O-CG1 3.3Å; L203-I207 WeakPolarHBondContact O-CG1 3.19Å; L203-I207 PolarHBondContact O-N 2.91Å; S204-I207 PolarHBondContact O-N 3.22Å; I207-L209 VanDerWaalsContact C-N 3.28Å; I207-L209 PolarHBondContact O-N 3.43Å; I207-L210 PolarHBondContact O-N 2.83Å; I207-F211 WeakPolarHBondContact O-CB 3.21Å; I207-F211 PolarHBondContact O-N 2.88Å |
| 208 | I | 83.8 | Confident | 83 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 53% | 0.533 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 179.4 | -69.3 | 165.7 | 0 | 0 | 0 | 110.2 | S204 L210 F211 T212 | S204-I208 VanDerWaalsContact O-CB 3.26Å; S204-I208 WeakPolarHBondContact O-CB 3.15Å; S204-I208 WeakPolarHBondContact O-CD1 3.31Å; S204-I208 WeakPolarHBondContact O-CG1 3.5Å; S204-I208 PolarHBondContact O-N 3.37Å; I208-L210 PolarHBondContact O-N 3.14Å; I208-F211 WeakPolarHBondContact O-CB 3.4Å; I208-F211 PolarHBondContact O-N 3.36Å; I208-F211 VanDerWaalsContact O-N 3.16Å; I208-T212 PolarHBondContact O-N 3.08Å; I208-T212 PolarHBondContact O-OG1 2.91Å |
| 209 | L | 82.1 | Confident | 83.7 | Confident | 22 Ų | 22 | 81.8 Ų | 81.8 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67 | -32.6 | 179.6 | -172.3 | 62.6 | 0 | 0 | 0 | 113.7 | V205 I207 T212 L213 C245 L246 L249 | V205-L209 WeakPolarHBondContact O-CB 3.4Å; V205-L209 PolarHBondContact O-N 3.31Å; I207-L209 VanDerWaalsContact C-N 3.28Å; I207-L209 PolarHBondContact O-N 3.43Å; L209-T212 WeakPolarHBondContact CA-OG1 3.48Å; L209-T212 PolarHBondContact O-OG1 2.95Å; L209-L213 WeakPolarHBondContact O-CB 3.47Å; L209-L213 PolarHBondContact O-N 3.02Å; L209-C245 HydrophobicContact CD1-CB 4.05Å; L209-L246 HydrophobicContact CD1-CG 4.32Å; L209-L246 HydrophobicContact CD2-CD2 3.46Å; L209-L246 VanDerWaalsContact CD2-CD2 3.46Å; L209-L246 HydrophobicContact CD2-CG 3.77Å; L209-L246 HydrophobicContact CG-CD2 4.06Å; L209-L246 HydrophobicContact CG-CG 4.07Å; L209-L249 HydrophobicContact CD2-CD1 3.43Å; L209-L249 VanDerWaalsContact CD2-CD1 3.43Å |
| 210 | L | 83.9 | Confident | 84.2 | Confident | 97 Ų | 97 | 80.5 Ų | 80.5 | 51% | 0.508 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.9 | -38.1 | 171.2 | -71.5 | 170 | 0 | 0 | 0 | 111.2 | R206 I207 I208 L213 I214 | R206-L210 WeakPolarHBondContact O-CG 3.43Å; R206-L210 PolarHBondContact O-N 2.99Å; I207-L210 PolarHBondContact O-N 2.83Å; I208-L210 PolarHBondContact O-N 3.14Å; L210-L213 PolarHBondContact O-N 2.87Å; L210-I214 VanDerWaalsContact O-CG1 3.3Å; L210-I214 WeakPolarHBondContact O-CG1 3.45Å; L210-I214 PolarHBondContact O-N 3.4Å |
| 211 | F | 87.3 | Confident | 84.5 | Confident | 126 Ų | 126 | 78 Ų | 78 | 55% | 0.553 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.3 | -40.7 | 178.2 | -173.3 | -109.9 | 0 | 0 | 0 | 112.4 | I207 I208 L213 I214 L215 | I207-F211 WeakPolarHBondContact O-CB 3.21Å; I207-F211 PolarHBondContact O-N 2.88Å; I208-F211 WeakPolarHBondContact O-CB 3.4Å; I208-F211 PolarHBondContact O-N 3.36Å; I208-F211 VanDerWaalsContact O-N 3.16Å; F211-L213 VanDerWaalsContact C-N 3.32Å; F211-L213 PolarHBondContact O-N 3.2Å; F211-I214 PolarHBondContact O-N 2.86Å; F211-L215 HydrophobicContact CD1-CD1 3.85Å; F211-L215 HydrophobicContact CD1-CG 4.47Å; F211-L215 HydrophobicContact CE1-CD1 3.47Å; F211-L215 VanDerWaalsContact CE1-CD1 3.47Å; F211-L215 HydrophobicContact CE1-CG 4.18Å; F211-L215 HydrophobicContact CZ-CD1 3.94Å; F211-L215 HydrophobicContact CZ-CD2 4.5Å; F211-L215 HydrophobicContact CZ-CG 4.25Å; F211-L215 WeakPolarHBondContact O-CB 3.36Å; F211-L215 WeakPolarHBondContact O-CG 3.42Å; F211-L215 PolarHBondContact O-N 3.31Å |
| 212 | T | 86.9 | Confident | 85.2 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 25% | 0.252 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -35.9 | 173.5 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | I208 L209 S216 S242 | I208-T212 PolarHBondContact O-N 3.08Å; I208-T212 PolarHBondContact O-OG1 2.91Å; L209-T212 WeakPolarHBondContact CA-OG1 3.48Å; L209-T212 PolarHBondContact O-OG1 2.95Å; T212-S216 WeakPolarHBondContact O-CB 3.49Å; T212-S216 PolarHBondContact O-N 3.37Å; T212-S242 PolarHBondContact OG1-OG 3.35Å |
| 213 | L | 87.5 | Confident | 85.8 | Confident | 55 Ų | 55 | 71.3 Ų | 71.3 | 29% | 0.288 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 175.3 | -173.9 | 151.2 | 0 | 0 | 0 | 111.4 | L209 L210 F211 S216 I217 L246 | L209-L213 WeakPolarHBondContact O-CB 3.47Å; L209-L213 PolarHBondContact O-N 3.02Å; L210-L213 PolarHBondContact O-N 2.87Å; F211-L213 VanDerWaalsContact C-N 3.32Å; F211-L213 PolarHBondContact O-N 3.2Å; L213-S216 PolarHBondContact O-N 3.49Å; L213-I217 HydrophobicContact CD2-CD1 3.68Å; L213-I217 WeakPolarHBondContact O-CG1 3.47Å; L213-I217 PolarHBondContact O-N 3.29Å; L213-L246 HydrophobicContact CD1-CD1 3.93Å |
| 214 | I | 89.8 | Confident | 86.3 | Confident | 107 Ų | 107 | 75.1 Ų | 75.1 | 55% | 0.549 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.8 | -68 | 163.1 | 0 | 0 | 0 | 111 | L210 F211 S216 I217 L218 | L210-I214 VanDerWaalsContact O-CG1 3.3Å; L210-I214 WeakPolarHBondContact O-CG1 3.45Å; L210-I214 PolarHBondContact O-N 3.4Å; F211-I214 PolarHBondContact O-N 2.86Å; I214-S216 VanDerWaalsContact C-N 3.34Å; I214-S216 PolarHBondContact O-N 3.14Å; I214-I217 PolarHBondContact O-N 3.37Å; I214-L218 PolarHBondContact O-N 3.28Å |
| 215 | L | 89.9 | Confident | 86.6 | Confident | 53 Ų | 53 | 79.2 Ų | 79.2 | 28% | 0.277 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 174.8 | -77.4 | 176.3 | 0 | 0 | 0 | 112.3 | F211 L218 F219 L238 | F211-L215 HydrophobicContact CD1-CD1 3.85Å; F211-L215 HydrophobicContact CD1-CG 4.47Å; F211-L215 HydrophobicContact CE1-CD1 3.47Å; F211-L215 VanDerWaalsContact CE1-CD1 3.47Å; F211-L215 HydrophobicContact CE1-CG 4.18Å; F211-L215 HydrophobicContact CZ-CD1 3.94Å; F211-L215 HydrophobicContact CZ-CD2 4.5Å; F211-L215 HydrophobicContact CZ-CG 4.25Å; F211-L215 WeakPolarHBondContact O-CB 3.36Å; F211-L215 WeakPolarHBondContact O-CG 3.42Å; F211-L215 PolarHBondContact O-N 3.31Å; L215-L218 PolarHBondContact O-N 3.32Å; L215-F219 HydrophobicContact CB-CD2 4.49Å; L215-F219 HydrophobicContact CB-CE2 4.44Å; L215-F219 WeakPolarHBondContact O-CD2 3.35Å; L215-F219 PolarHBondContact O-N 3.37Å; L215-L238 HydrophobicContact CB-CD2 4.39Å |
| 216 | S | 90.3 | Very high | 87 | Confident | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.9 | -46 | 175.9 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | T212 L213 I214 L218 F219 L220 G235 S239 | T212-S216 WeakPolarHBondContact O-CB 3.49Å; T212-S216 PolarHBondContact O-N 3.37Å; L213-S216 PolarHBondContact O-N 3.49Å; I214-S216 VanDerWaalsContact C-N 3.34Å; I214-S216 PolarHBondContact O-N 3.14Å; S216-L218 VanDerWaalsContact C-N 3.31Å; S216-L218 PolarHBondContact O-N 2.94Å; S216-F219 PolarHBondContact O-N 2.92Å; S216-L220 WeakPolarHBondContact O-CB 3.48Å; S216-L220 VanDerWaalsContact O-CG 3.3Å; S216-L220 WeakPolarHBondContact O-CG 3.32Å; S216-L220 PolarHBondContact O-N 2.92Å; S216-G235 PolarHBondContact OG-O 2.95Å; S216-S239 WeakPolarHBondContact OG-CA 3.36Å; S216-S239 WeakPolarHBondContact OG-CB 3.32Å; S216-S239 PolarHBondContact OG-N 3.13Å |
| 217 | I | 88.7 | Confident | 87.1 | Confident | 99 Ų | 99 | 82.9 Ų | 82.9 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.3 | -66.3 | 170.7 | 0 | 0 | 0 | 110.8 | L213 I214 L220 L221 | L213-I217 HydrophobicContact CD2-CD1 3.68Å; L213-I217 WeakPolarHBondContact O-CG1 3.47Å; L213-I217 PolarHBondContact O-N 3.29Å; I214-I217 PolarHBondContact O-N 3.37Å; I217-L220 PolarHBondContact O-N 2.85Å; I217-L221 WeakPolarHBondContact O-CB 3.44Å; I217-L221 PolarHBondContact O-N 3.37Å |
| 218 | L | 90.8 | Very high | 87.2 | Confident | 93 Ų | 93 | 82 Ų | 82 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 176.9 | -174.5 | 63 | 0 | 0 | 0 | 112.1 | I214 L215 S216 L221 V222 | I214-L218 PolarHBondContact O-N 3.28Å; L215-L218 PolarHBondContact O-N 3.32Å; S216-L218 VanDerWaalsContact C-N 3.31Å; S216-L218 PolarHBondContact O-N 2.94Å; L218-L221 PolarHBondContact O-N 3.17Å; L218-V222 HydrophobicContact CD1-CG2 4.2Å; L218-V222 HydrophobicContact CG-CG2 4.44Å; L218-V222 WeakPolarHBondContact O-CB 3.38Å; L218-V222 VanDerWaalsContact O-CG2 3.29Å; L218-V222 WeakPolarHBondContact O-CG2 3.5Å; L218-V222 PolarHBondContact O-N 3.43Å |
| 219 | F | 89.9 | Confident | 87.4 | Confident | 88 Ų | 88 | 86 Ų | 86 | 39% | 0.386 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.8 | -36 | 175.4 | -76.2 | -57.9 | 0 | 0 | 0 | 112.8 | L215 S216 G223 I231 L238 | L215-F219 HydrophobicContact CB-CD2 4.49Å; L215-F219 HydrophobicContact CB-CE2 4.44Å; L215-F219 WeakPolarHBondContact O-CD2 3.35Å; L215-F219 PolarHBondContact O-N 3.37Å; S216-F219 PolarHBondContact O-N 2.92Å; F219-G223 WeakPolarHBondContact O-CA 3.41Å; F219-G223 PolarHBondContact O-N 3.47Å; F219-I231 HydrophobicContact CB-CG2 4.35Å; F219-I231 HydrophobicContact CD1-CG2 3.92Å; F219-I231 WeakPolarHBondContact O-CG2 3.45Å; F219-L238 HydrophobicContact CD2-CD2 4.33Å |
| 220 | L | 88.8 | Confident | 87.6 | Confident | 46 Ų | 46 | 90.8 Ų | 90.8 | 24% | 0.241 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 171.5 | -75.1 | 169.1 | 0 | 0 | 0 | 111 | S216 I217 Y224 L232 C236 | S216-L220 WeakPolarHBondContact O-CB 3.48Å; S216-L220 VanDerWaalsContact O-CG 3.3Å; S216-L220 WeakPolarHBondContact O-CG 3.32Å; S216-L220 PolarHBondContact O-N 2.92Å; I217-L220 PolarHBondContact O-N 2.85Å; L220-Y224 WeakPolarHBondContact O-CB 3.29Å; L220-Y224 PolarHBondContact O-N 3.05Å; L220-L232 HydrophobicContact CD2-CD1 4.03Å; L220-C236 HydrophobicContact CD2-CB 4.41Å; L220-C236 WeakPolarHBondContact CD2-SG 3.35Å |
| 221 | L | 85.5 | Confident | 87.7 | Confident | 97 Ų | 97 | 88.4 Ų | 88.4 | 51% | 0.508 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 179.7 | -174 | 66 | 0 | 0 | 0 | 111.9 | I217 L218 Y224 L225 | I217-L221 WeakPolarHBondContact O-CB 3.44Å; I217-L221 PolarHBondContact O-N 3.37Å; L218-L221 PolarHBondContact O-N 3.17Å; L221-Y224 PolarHBondContact O-N 2.74Å; L221-L225 HydrophobicContact CD1-CD1 4.13Å; L221-L225 HydrophobicContact CD1-CG 4.44Å; L221-L225 HydrophobicContact CG-CD1 3.93Å; L221-L225 WeakPolarHBondContact O-CB 3.47Å; L221-L225 VanDerWaalsContact O-CG 3.24Å; L221-L225 WeakPolarHBondContact O-CG 3.21Å; L221-L225 PolarHBondContact O-N 3.18Å |
| 222 | V | 90.8 | Very high | 87.7 | Confident | 52 Ų | 52 | 85.3 Ų | 85.3 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 179.1 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | L218 Y224 L225 L226 | L218-V222 HydrophobicContact CD1-CG2 4.2Å; L218-V222 HydrophobicContact CG-CG2 4.44Å; L218-V222 WeakPolarHBondContact O-CB 3.38Å; L218-V222 VanDerWaalsContact O-CG2 3.29Å; L218-V222 WeakPolarHBondContact O-CG2 3.5Å; L218-V222 PolarHBondContact O-N 3.43Å; V222-Y224 VanDerWaalsContact C-N 3.34Å; V222-L225 PolarHBondContact O-N 3.09Å; V222-L226 HydrophobicContact CG1-CD1 3.68Å; V222-L226 HydrophobicContact CG1-CG 4.29Å; V222-L226 WeakPolarHBondContact O-CB 3.37Å; V222-L226 WeakPolarHBondContact O-CG 3.38Å; V222-L226 PolarHBondContact O-N 3.38Å |
| 223 | G | 87.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.6 | -32.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F219 H227 I228 | F219-G223 WeakPolarHBondContact O-CA 3.41Å; F219-G223 PolarHBondContact O-N 3.47Å; G223-H227 CarbonylContact O-C 3.48Å; G223-H227 WeakPolarHBondContact O-CA 3.3Å; G223-H227 PolarHBondContact O-N 3.39Å; G223-I228 PolarHBondContact O-N 2.96Å; G223-I228 VanDerWaalsContact O-N 3.14Å |
| 224 | Y | 87 | Confident | 87.9 | Confident | 169 Ų | 169 | 88.5 Ų | 88.5 | 66% | 0.663 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71 | -51.1 | 171.6 | -175.2 | -102.5 | 0 | 0 | 0 | 111.3 | L220 L221 V222 L226 H227 | L220-Y224 WeakPolarHBondContact O-CB 3.29Å; L220-Y224 PolarHBondContact O-N 3.05Å; L221-Y224 PolarHBondContact O-N 2.74Å; V222-Y224 VanDerWaalsContact C-N 3.34Å; Y224-L226 PolarHBondContact O-N 3.02Å; Y224-H227 PolarHBondContact O-N 3.27Å; Y224-H227 VanDerWaalsContact O-N 3.09Å |
| 225 | L | 85.6 | Confident | 87.9 | Confident | 126 Ų | 126 | 83.4 Ų | 83.4 | 66% | 0.66 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.9 | -39.5 | -177.6 | -72.6 | 172.1 | 0 | 0 | 0 | 113.9 | L221 V222 H227 | L221-L225 HydrophobicContact CD1-CD1 4.13Å; L221-L225 HydrophobicContact CD1-CG 4.44Å; L221-L225 HydrophobicContact CG-CD1 3.93Å; L221-L225 WeakPolarHBondContact O-CB 3.47Å; L221-L225 VanDerWaalsContact O-CG 3.24Å; L221-L225 WeakPolarHBondContact O-CG 3.21Å; L221-L225 PolarHBondContact O-N 3.18Å; V222-L225 PolarHBondContact O-N 3.09Å; L225-H227 VanDerWaalsContact C-N 3.27Å |
| 226 | L | 88 | Confident | 87.9 | Confident | 108 Ų | 108 | 83.6 Ų | 83.6 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3 | 175.1 | -61.3 | 177 | 0 | 0 | 0 | 112.6 | V222 Y224 I228 | V222-L226 HydrophobicContact CG1-CD1 3.68Å; V222-L226 HydrophobicContact CG1-CG 4.29Å; V222-L226 WeakPolarHBondContact O-CB 3.37Å; V222-L226 WeakPolarHBondContact O-CG 3.38Å; V222-L226 PolarHBondContact O-N 3.38Å; Y224-L226 PolarHBondContact O-N 3.02Å; L226-I228 HydrophobicContact CB-CD1 3.79Å; L226-I228 HydrophobicContact CB-CG1 3.82Å; L226-I228 HydrophobicContact CD1-CD1 4Å; L226-I228 WeakPolarHBondContact O-CG1 3.28Å; L226-I228 PolarHBondContact O-N 2.93Å |
| 227 | H | 81.2 | Confident | 87.9 | Confident | 162 Ų | 162 | 88.3 Ų | 88.3 | 75% | 0.75 | 44% | 0.438 | S | S | * | . | trans | 57 | 14.5 | -174.8 | -141.2 | -76.8 | 0 | 0 | 0 | 115.2 | G223 Y224 L225 R229 | G223-H227 CarbonylContact O-C 3.48Å; G223-H227 WeakPolarHBondContact O-CA 3.3Å; G223-H227 PolarHBondContact O-N 3.39Å; Y224-H227 PolarHBondContact O-N 3.27Å; Y224-H227 VanDerWaalsContact O-N 3.09Å; L225-H227 VanDerWaalsContact C-N 3.27Å; H227-R229 PolarHBondContact O-N 2.82Å; H227-R229 VanDerWaalsContact O-N 3.07Å | ||
| 228 | I | 86.5 | Confident | 87.9 | Confident | 75 Ų | 75 | 86.3 Ų | 86.3 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | trans | -78.3 | 96.3 | -177.7 | -57.8 | 172.4 | 0 | 0 | 0 | 109.2 | G223 L226 N230 I231 L232 | G223-I228 PolarHBondContact O-N 2.96Å; G223-I228 VanDerWaalsContact O-N 3.14Å; L226-I228 HydrophobicContact CB-CD1 3.79Å; L226-I228 HydrophobicContact CB-CG1 3.82Å; L226-I228 HydrophobicContact CD1-CD1 4Å; L226-I228 WeakPolarHBondContact O-CG1 3.28Å; L226-I228 PolarHBondContact O-N 2.93Å; I228-N230 HydrophobicContact CG2-CB 4.4Å; I228-N230 PolarHBondContact O-N 3Å; I228-N230 VanDerWaalsContact O-N 3.07Å; I228-I231 HydrophobicContact CB-CB 4.38Å; I228-I231 HydrophobicContact CB-CD1 4.02Å; I228-I231 HydrophobicContact CB-CG1 4.15Å; I228-I231 HydrophobicContact CD1-CD1 3.83Å; I228-I231 HydrophobicContact CG2-CB 4.34Å; I228-I231 HydrophobicContact CG2-CD1 3.94Å; I228-I231 HydrophobicContact CG2-CG1 3.76Å; I228-I231 PolarHBondContact O-N 3.32Å; I228-L232 PolarHBondContact O-N 3.23Å; I228-L232 VanDerWaalsContact O-N 3.16Å | ||
| 229 | R | 86.9 | Confident | 87.8 | Confident | 190 Ų | 190 | 83.8 Ų | 83.8 | 72% | 0.717 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -45 | -42.7 | 179.9 | -66.4 | 176.9 | 67.3 | -178.8 | 0.7 | 113.4 | H227 I231 L232 I233 | H227-R229 PolarHBondContact O-N 2.82Å; H227-R229 VanDerWaalsContact O-N 3.07Å; R229-I231 PolarHBondContact O-N 3.11Å; R229-L232 PolarHBondContact O-N 2.89Å; R229-I233 WeakPolarHBondContact O-CB 3.29Å; R229-I233 WeakPolarHBondContact O-CD1 3.35Å; R229-I233 WeakPolarHBondContact O-CG1 3.38Å; R229-I233 PolarHBondContact O-N 3.48Å |
| 230 | N | 86 | Confident | 87.8 | Confident | 121 Ų | 121 | 85.7 Ų | 85.7 | 65% | 0.647 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.7 | -38.4 | -178.9 | -64 | 0.5 | 0 | 0 | 0 | 113 | I228 T234 | I228-N230 HydrophobicContact CG2-CB 4.4Å; I228-N230 PolarHBondContact O-N 3Å; I228-N230 VanDerWaalsContact O-N 3.07Å; N230-T234 WeakPolarHBondContact O-CB 3.46Å; N230-T234 PolarHBondContact O-N 3.06Å; N230-T234 PolarHBondContact O-OG1 3.13Å |
| 231 | I | 86 | Confident | 87.8 | Confident | 48 Ų | 48 | 87.8 Ų | 87.8 | 25% | 0.246 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -72.7 | -42 | 178.1 | -60.2 | 178.3 | 0 | 0 | 0 | 109.8 | F219 I228 R229 T234 G235 | F219-I231 HydrophobicContact CB-CG2 4.35Å; F219-I231 HydrophobicContact CD1-CG2 3.92Å; F219-I231 WeakPolarHBondContact O-CG2 3.45Å; I228-I231 HydrophobicContact CB-CB 4.38Å; I228-I231 HydrophobicContact CB-CD1 4.02Å; I228-I231 HydrophobicContact CB-CG1 4.15Å; I228-I231 HydrophobicContact CD1-CD1 3.83Å; I228-I231 HydrophobicContact CG2-CB 4.34Å; I228-I231 HydrophobicContact CG2-CD1 3.94Å; I228-I231 HydrophobicContact CG2-CG1 3.76Å; I228-I231 PolarHBondContact O-N 3.32Å; R229-I231 PolarHBondContact O-N 3.11Å; I231-T234 PolarHBondContact O-N 3.1Å; I231-G235 PolarHBondContact O-N 3.43Å |
| 232 | L | 87.3 | Confident | 87.9 | Confident | 60 Ų | 60 | 83.4 Ų | 83.4 | 31% | 0.314 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 175.5 | -173 | 70.7 | 0 | 0 | 0 | 111.7 | L220 I228 R229 T234 G235 C236 | L220-L232 HydrophobicContact CD2-CD1 4.03Å; I228-L232 PolarHBondContact O-N 3.23Å; I228-L232 VanDerWaalsContact O-N 3.16Å; R229-L232 PolarHBondContact O-N 2.89Å; L232-T234 VanDerWaalsContact C-N 3.34Å; L232-T234 PolarHBondContact O-N 2.79Å; L232-G235 PolarHBondContact O-N 3.38Å; L232-C236 PolarHBondContact O-N 2.86Å; L232-C236 PolarHBondContact O-SG 3.46Å |
| 233 | I | 90.3 | Very high | 87.7 | Confident | 87 Ų | 87 | 84.4 Ų | 84.4 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 176.3 | -70.1 | 163.7 | 0 | 0 | 0 | 110.7 | R229 G235 C236 I237 | R229-I233 WeakPolarHBondContact O-CB 3.29Å; R229-I233 WeakPolarHBondContact O-CD1 3.35Å; R229-I233 WeakPolarHBondContact O-CG1 3.38Å; R229-I233 PolarHBondContact O-N 3.48Å; I233-G235 PolarHBondContact O-N 3.16Å; I233-C236 WeakPolarHBondContact O-CB 3.46Å; I233-C236 PolarHBondContact O-N 3.48Å; I233-I237 HydrophobicContact CG2-CD1 3.75Å; I233-I237 HydrophobicContact CG2-CG1 4.45Å; I233-I237 VanDerWaalsContact O-CG1 3.31Å; I233-I237 WeakPolarHBondContact O-CG1 3.38Å; I233-I237 PolarHBondContact O-N 3.37Å |
| 234 | T | 89.9 | Confident | 87.7 | Confident | 77 Ų | 77 | 85.9 Ų | 85.9 | 47% | 0.472 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | N230 I231 L232 C236 I237 L238 | N230-T234 WeakPolarHBondContact O-CB 3.46Å; N230-T234 PolarHBondContact O-N 3.06Å; N230-T234 PolarHBondContact O-OG1 3.13Å; I231-T234 PolarHBondContact O-N 3.1Å; L232-T234 VanDerWaalsContact C-N 3.34Å; L232-T234 PolarHBondContact O-N 2.79Å; T234-C236 PolarHBondContact O-N 2.92Å; T234-I237 PolarHBondContact O-N 2.92Å; T234-L238 WeakPolarHBondContact O-CB 3.29Å; T234-L238 PolarHBondContact O-N 3.31Å |
| 235 | G | 89.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S216 I231 L232 I233 L238 S239 | S216-G235 PolarHBondContact OG-O 2.95Å; I231-G235 PolarHBondContact O-N 3.43Å; L232-G235 PolarHBondContact O-N 3.38Å; I233-G235 PolarHBondContact O-N 3.16Å; G235-L238 PolarHBondContact O-N 3.3Å; G235-S239 WeakPolarHBondContact O-CB 3.29Å; G235-S239 PolarHBondContact O-N 3.45Å |
| 236 | C | 89.5 | Confident | 87.4 | Confident | 56 Ų | 56 | 77 Ų | 77 | 38% | 0.378 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 175.1 | -74.5 | 0 | 0 | 0 | 0 | 112.3 | L220 L232 I233 T234 L238 S239 L240 | L220-C236 HydrophobicContact CD2-CB 4.41Å; L220-C236 WeakPolarHBondContact CD2-SG 3.35Å; L232-C236 PolarHBondContact O-N 2.86Å; L232-C236 PolarHBondContact O-SG 3.46Å; I233-C236 WeakPolarHBondContact O-CB 3.46Å; I233-C236 PolarHBondContact O-N 3.48Å; T234-C236 PolarHBondContact O-N 2.92Å; C236-L238 VanDerWaalsContact C-N 3.34Å; C236-L238 PolarHBondContact O-N 3.31Å; C236-S239 WeakPolarHBondContact O-CB 3.4Å; C236-S239 PolarHBondContact O-N 3.26Å; C236-L240 WeakPolarHBondContact O-CG 3.42Å; C236-L240 PolarHBondContact O-N 3.47Å |
| 237 | I | 90.6 | Very high | 87.1 | Confident | 101 Ų | 101 | 74.5 Ų | 74.5 | 52% | 0.518 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 178.7 | -68.1 | 166 | 0 | 0 | 0 | 110 | I233 T234 S239 L240 T241 | I233-I237 HydrophobicContact CG2-CD1 3.75Å; I233-I237 HydrophobicContact CG2-CG1 4.45Å; I233-I237 VanDerWaalsContact O-CG1 3.31Å; I233-I237 WeakPolarHBondContact O-CG1 3.38Å; I233-I237 PolarHBondContact O-N 3.37Å; T234-I237 PolarHBondContact O-N 2.92Å; I237-S239 VanDerWaalsContact C-N 3.29Å; I237-S239 PolarHBondContact O-N 3.38Å; I237-L240 PolarHBondContact O-N 2.78Å; I237-T241 WeakPolarHBondContact O-CB 3.37Å; I237-T241 PolarHBondContact O-N 2.85Å; I237-T241 PolarHBondContact O-OG1 3.48Å |
| 238 | L | 89.1 | Confident | 87.2 | Confident | 56 Ų | 56 | 73.1 Ų | 73.1 | 29% | 0.293 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 178.6 | -156.9 | 71.4 | 0 | 0 | 0 | 112.1 | L215 F219 T234 G235 C236 S242 | L215-L238 HydrophobicContact CB-CD2 4.39Å; F219-L238 HydrophobicContact CD2-CD2 4.33Å; T234-L238 WeakPolarHBondContact O-CB 3.29Å; T234-L238 PolarHBondContact O-N 3.31Å; G235-L238 PolarHBondContact O-N 3.3Å; C236-L238 VanDerWaalsContact C-N 3.34Å; C236-L238 PolarHBondContact O-N 3.31Å; L238-S242 VanDerWaalsContact O-CB 3.29Å; L238-S242 WeakPolarHBondContact O-CB 3.19Å; L238-S242 PolarHBondContact O-N 3.5Å |
| 239 | S | 88.1 | Confident | 86.6 | Confident | 40 Ų | 40 | 72 Ų | 72 | 28% | 0.28 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.8 | -53.5 | 174.4 | -169 | 0 | 0 | 0 | 0 | 111 | S216 G235 C236 I237 T241 S242 V243 | S216-S239 WeakPolarHBondContact OG-CA 3.36Å; S216-S239 WeakPolarHBondContact OG-CB 3.32Å; S216-S239 PolarHBondContact OG-N 3.13Å; G235-S239 WeakPolarHBondContact O-CB 3.29Å; G235-S239 PolarHBondContact O-N 3.45Å; C236-S239 WeakPolarHBondContact O-CB 3.4Å; C236-S239 PolarHBondContact O-N 3.26Å; I237-S239 VanDerWaalsContact C-N 3.29Å; I237-S239 PolarHBondContact O-N 3.38Å; S239-T241 VanDerWaalsContact C-N 3.32Å; S239-T241 PolarHBondContact O-N 3.36Å; S239-S242 PolarHBondContact O-N 2.9Å; S239-S242 VanDerWaalsContact O-N 3.12Å; S239-V243 WeakPolarHBondContact O-CB 3.15Å; S239-V243 WeakPolarHBondContact O-CG2 3.3Å; S239-V243 PolarHBondContact O-N 2.84Å |
| 240 | L | 90.9 | Very high | 86 | Confident | 128 Ų | 128 | 64.5 Ų | 64.5 | 67% | 0.67 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 179.8 | -70.1 | 170.3 | 0 | 0 | 0 | 111.8 | C236 I237 G244 | C236-L240 WeakPolarHBondContact O-CG 3.42Å; C236-L240 PolarHBondContact O-N 3.47Å; I237-L240 PolarHBondContact O-N 2.78Å; L240-G244 PolarHBondContact O-N 2.93Å |
| 241 | T | 89 | Confident | 85.3 | Confident | 91 Ų | 91 | 63 Ų | 63 | 56% | 0.558 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 173.8 | -58 | 0 | 0 | 0 | 0 | 111.9 | I237 S239 C245 | I237-T241 WeakPolarHBondContact O-CB 3.37Å; I237-T241 PolarHBondContact O-N 2.85Å; I237-T241 PolarHBondContact O-OG1 3.48Å; S239-T241 VanDerWaalsContact C-N 3.32Å; S239-T241 PolarHBondContact O-N 3.36Å; T241-C245 VanDerWaalsContact O-CB 3.29Å; T241-C245 WeakPolarHBondContact O-CB 3.5Å; T241-C245 PolarHBondContact O-N 3.29Å |
| 242 | S | 87 | Confident | 84.3 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 179.4 | -161.4 | 0 | 0 | 0 | 0 | 112.2 | T212 L238 S239 L246 | T212-S242 PolarHBondContact OG1-OG 3.35Å; L238-S242 VanDerWaalsContact O-CB 3.29Å; L238-S242 WeakPolarHBondContact O-CB 3.19Å; L238-S242 PolarHBondContact O-N 3.5Å; S239-S242 PolarHBondContact O-N 2.9Å; S239-S242 VanDerWaalsContact O-N 3.12Å; S242-L246 WeakPolarHBondContact O-CB 3.39Å; S242-L246 WeakPolarHBondContact O-CG 3.42Å; S242-L246 PolarHBondContact O-N 3.44Å |
| 243 | V | 86 | Confident | 82.9 | Confident | 72 Ų | 72 | 67.4 Ų | 67.4 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.9 | -42.6 | 176 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | S239 C245 L246 V247 | S239-V243 WeakPolarHBondContact O-CB 3.15Å; S239-V243 WeakPolarHBondContact O-CG2 3.3Å; S239-V243 PolarHBondContact O-N 2.84Å; V243-C245 VanDerWaalsContact C-N 3.33Å; V243-C245 PolarHBondContact O-N 2.84Å; V243-L246 WeakPolarHBondContact O-CB 3.43Å; V243-L246 PolarHBondContact O-N 3.44Å; V243-V247 WeakPolarHBondContact O-CG2 3.26Å; V243-V247 PolarHBondContact O-N 2.85Å |
| 244 | G | 87 | Confident | 81.2 | Confident | 31 Ų | 31 | 70.3 Ų | 70.3 | 32% | 0.32 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L240 V247 Q248 | L240-G244 PolarHBondContact O-N 2.93Å; G244-V247 PolarHBondContact O-N 3.43Å; G244-Q248 VanDerWaalsContact O-CG 3.32Å; G244-Q248 WeakPolarHBondContact O-CG 3.31Å; G244-Q248 PolarHBondContact O-N 3.16Å |
| 245 | C | 84 | Confident | 79.3 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 32% | 0.324 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 174.5 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | L209 T241 V243 V247 Q248 L249 | L209-C245 HydrophobicContact CD1-CB 4.05Å; T241-C245 VanDerWaalsContact O-CB 3.29Å; T241-C245 WeakPolarHBondContact O-CB 3.5Å; T241-C245 PolarHBondContact O-N 3.29Å; V243-C245 VanDerWaalsContact C-N 3.33Å; V243-C245 PolarHBondContact O-N 2.84Å; C245-V247 VanDerWaalsContact C-N 3.35Å; C245-V247 PolarHBondContact O-N 2.84Å; C245-Q248 PolarHBondContact O-N 2.89Å; C245-L249 WeakPolarHBondContact O-CB 3.37Å; C245-L249 VanDerWaalsContact O-CG 3.3Å; C245-L249 WeakPolarHBondContact O-CG 3.12Å; C245-L249 PolarHBondContact O-N 2.9Å |
| 246 | L | 82.3 | Confident | 77.2 | Confident | 62 Ų | 62 | 74.7 Ų | 74.7 | 33% | 0.325 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.6 | -46 | 173.3 | -81.8 | 163.7 | 0 | 0 | 0 | 112 | L209 L213 S242 V243 L249 C250 | L209-L246 HydrophobicContact CD1-CG 4.32Å; L209-L246 HydrophobicContact CD2-CD2 3.46Å; L209-L246 VanDerWaalsContact CD2-CD2 3.46Å; L209-L246 HydrophobicContact CD2-CG 3.77Å; L209-L246 HydrophobicContact CG-CD2 4.06Å; L209-L246 HydrophobicContact CG-CG 4.07Å; L213-L246 HydrophobicContact CD1-CD1 3.93Å; S242-L246 WeakPolarHBondContact O-CB 3.39Å; S242-L246 WeakPolarHBondContact O-CG 3.42Å; S242-L246 PolarHBondContact O-N 3.44Å; V243-L246 WeakPolarHBondContact O-CB 3.43Å; V243-L246 PolarHBondContact O-N 3.44Å; L246-L249 PolarHBondContact O-N 3.37Å; L246-C250 PolarHBondContact O-N 2.92Å; L246-C250 PolarHBondContact O-SG 3.23Å |
| 247 | V | 82.9 | Confident | 75.1 | Confident | 55 Ų | 55 | 77.4 Ų | 77.4 | 33% | 0.333 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 111 | V243 G244 C245 L249 C250 F251 | V243-V247 WeakPolarHBondContact O-CG2 3.26Å; V243-V247 PolarHBondContact O-N 2.85Å; G244-V247 PolarHBondContact O-N 3.43Å; C245-V247 VanDerWaalsContact C-N 3.35Å; C245-V247 PolarHBondContact O-N 2.84Å; V247-L249 VanDerWaalsContact C-N 3.3Å; V247-L249 PolarHBondContact O-N 3.49Å; V247-C250 WeakPolarHBondContact O-CB 3.27Å; V247-C250 PolarHBondContact O-N 3.45Å; V247-C250 VanDerWaalsContact O-N 3.13Å; V247-F251 HydrophobicContact CG1-CD2 3.85Å; V247-F251 HydrophobicContact CG1-CE2 3.76Å; V247-F251 VanDerWaalsContact O-CD2 3.29Å; V247-F251 WeakPolarHBondContact O-CD2 3.41Å; V247-F251 PolarHBondContact O-N 3.47Å |
| 248 | Q | 82 | Confident | 72.8 | Confident | 132 Ų | 132 | 78.1 Ų | 78.1 | 62% | 0.617 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.2 | -38.9 | 173.9 | -72.7 | 174.9 | 3.9 | 0 | 0 | 112.3 | G244 C245 F251 T252 | G244-Q248 VanDerWaalsContact O-CG 3.32Å; G244-Q248 WeakPolarHBondContact O-CG 3.31Å; G244-Q248 PolarHBondContact O-N 3.16Å; C245-Q248 PolarHBondContact O-N 2.89Å; Q248-F251 PolarHBondContact O-N 3.42Å; Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 WeakPolarHBondContact O-CG2 3.5Å; Q248-T252 PolarHBondContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.33Å |
| 249 | L | 75.6 | Confident | 70.9 | Confident | 52 Ų | 52 | 84 Ų | 84 | 27% | 0.272 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.6 | -30.1 | 175.8 | -74.3 | 166.6 | 0 | 0 | 0 | 113 | L209 C245 L246 V247 T252 K253 | L209-L249 HydrophobicContact CD2-CD1 3.43Å; L209-L249 VanDerWaalsContact CD2-CD1 3.43Å; C245-L249 WeakPolarHBondContact O-CB 3.37Å; C245-L249 VanDerWaalsContact O-CG 3.3Å; C245-L249 WeakPolarHBondContact O-CG 3.12Å; C245-L249 PolarHBondContact O-N 2.9Å; L246-L249 PolarHBondContact O-N 3.37Å; V247-L249 VanDerWaalsContact C-N 3.3Å; V247-L249 PolarHBondContact O-N 3.49Å; L249-T252 WeakPolarHBondContact CA-OG1 3.3Å; L249-T252 PolarHBondContact O-OG1 3.12Å; L249-K253 WeakPolarHBondContact O-CB 3.32Å; L249-K253 VanDerWaalsContact O-CG 3.27Å; L249-K253 WeakPolarHBondContact O-CG 3.43Å; L249-K253 PolarHBondContact O-N 3.14Å |
| 250 | C | 73 | Confident | 68.8 | Low | 33 Ų | 33 | 88.8 Ų | 88.8 | 22% | 0.223 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -69.1 | -40.6 | 171.9 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | L246 V247 | L246-C250 PolarHBondContact O-N 2.92Å; L246-C250 PolarHBondContact O-SG 3.23Å; V247-C250 WeakPolarHBondContact O-CB 3.27Å; V247-C250 PolarHBondContact O-N 3.45Å; V247-C250 VanDerWaalsContact O-N 3.13Å |
| 251 | F | 71.7 | Confident | 66.8 | Low | 89 Ų | 89 | 86.3 Ų | 86.3 | 39% | 0.39 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -75.8 | -42 | 178 | -77.1 | -68.1 | 0 | 0 | 0 | 113.7 | L73 V247 Q248 K253 R254 S255 | L73-F251 HydrophobicContact CD1-CE2 3.96Å; L73-F251 HydrophobicContact CD1-CZ 4.26Å; L73-F251 HydrophobicContact CD2-CE2 3.67Å; L73-F251 HydrophobicContact CD2-CZ 3.69Å; L73-F251 HydrophobicContact CG-CE2 3.81Å; L73-F251 HydrophobicContact CG-CZ 3.67Å; V247-F251 HydrophobicContact CG1-CD2 3.85Å; V247-F251 HydrophobicContact CG1-CE2 3.76Å; V247-F251 VanDerWaalsContact O-CD2 3.29Å; V247-F251 WeakPolarHBondContact O-CD2 3.41Å; V247-F251 PolarHBondContact O-N 3.47Å; Q248-F251 PolarHBondContact O-N 3.42Å; F251-K253 VanDerWaalsContact C-N 3.26Å; F251-K253 PolarHBondContact O-N 2.83Å; F251-R254 CarbonylContact O-C 3.52Å; F251-R254 WeakPolarHBondContact O-CA 3.44Å; F251-R254 WeakPolarHBondContact O-CB 3.37Å; F251-R254 PolarHBondContact O-N 3.31Å; F251-S255 PolarHBondContact O-N 3.12Å; F251-S255 PolarHBondContact O-OG 2.97Å |
| 252 | T | 65.1 | Low | 65.1 | Low | 76 Ų | 76 | 86.8 Ų | 86.8 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.2 | -29 | 177.4 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | Q248 L249 R254 S255 S256 | Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 WeakPolarHBondContact O-CG2 3.5Å; Q248-T252 PolarHBondContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.33Å; L249-T252 WeakPolarHBondContact CA-OG1 3.3Å; L249-T252 PolarHBondContact O-OG1 3.12Å; T252-R254 PolarHBondContact O-N 3.49Å; T252-S255 WeakPolarHBondContact CA-OG 3.35Å; T252-S255 CarbonylContact O-C 3.25Å; T252-S255 VanDerWaalsContact O-C 3.25Å; T252-S256 PolarHBondContact O-N 3.01Å |
| 253 | K | 58.7 | Low | 63.5 | Low | 125 Ų | 125 | 94.7 Ų | 94.7 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -12.4 | 167.9 | -78.1 | 179 | 178.4 | -179.7 | 0 | 114.7 | R78 L249 F251 | R78-K253 PolarHBondContact NH1-O 3.49Å; L249-K253 WeakPolarHBondContact O-CB 3.32Å; L249-K253 VanDerWaalsContact O-CG 3.27Å; L249-K253 WeakPolarHBondContact O-CG 3.43Å; L249-K253 PolarHBondContact O-N 3.14Å; F251-K253 VanDerWaalsContact C-N 3.26Å; F251-K253 PolarHBondContact O-N 2.83Å |
| 254 | R | 53.6 | Low | 61.9 | Low | 148 Ų | 148 | 94.7 Ų | 94.7 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -30.7 | 174.8 | -152.3 | 169.7 | -174.1 | 171.8 | -4.8 | 111.4 | M75 T76 F251 T252 S256 | M75-R254 PolarHBondContact O-NH1 3.09Å; M75-R254 VanDerWaalsContact O-NH1 3.14Å; T76-R254 PolarHBondContact OG1-NH1 2.88Å; F251-R254 CarbonylContact O-C 3.52Å; F251-R254 WeakPolarHBondContact O-CA 3.44Å; F251-R254 WeakPolarHBondContact O-CB 3.37Å; F251-R254 PolarHBondContact O-N 3.31Å; T252-R254 PolarHBondContact O-N 3.49Å; R254-S256 VanDerWaalsContact C-N 3.29Å; R254-S256 PolarHBondContact O-N 2.92Å |
| 255 | S | 50.7 | Low | 60 | Low | 83 Ų | 83 | 95.9 Ų | 95.9 | 58% | 0.58 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -92.1 | 46.4 | 164.5 | 73.4 | 0 | 0 | 0 | 0 | 111.9 | F251 T252 S257 | F251-S255 PolarHBondContact O-N 3.12Å; F251-S255 PolarHBondContact O-OG 2.97Å; T252-S255 WeakPolarHBondContact CA-OG 3.35Å; T252-S255 CarbonylContact O-C 3.25Å; T252-S255 VanDerWaalsContact O-C 3.25Å; S255-S257 PolarHBondContact O-N 3.11Å; S255-S257 VanDerWaalsContact O-N 3.15Å |
| 256 | S | 44.9 | Very low | 58.3 | Low | 85 Ų | 85 | 99 Ų | 99 | 59% | 0.594 | 53% | 0.531 | S | S | * | . | trans | -57.1 | 121 | 167.5 | 54.2 | 0 | 0 | 0 | 0 | 108.1 | T252 R254 N258 | T252-S256 PolarHBondContact O-N 3.01Å; R254-S256 VanDerWaalsContact C-N 3.29Å; R254-S256 PolarHBondContact O-N 2.92Å; S256-N258 PolarHBondContact O-N 3.39Å | ||
| 257 | S | 45.4 | Very low | 56.7 | Low | 114 Ų | 114 | 103.9 Ų | 103.9 | 80% | 0.797 | 55% | 0.55 | S | S | * | * | trans | -43.7 | 115 | -171.2 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | S255 K259 | S255-S257 PolarHBondContact O-N 3.11Å; S255-S257 VanDerWaalsContact O-N 3.15Å; S257-K259 PolarHBondContact O-N 2.92Å | ||
| 258 | N | 42.9 | Very low | 54.9 | Low | 116 Ų | 116 | 105.8 Ų | 105.8 | 62% | 0.62 | 57% | 0.572 | S | S | * | * | trans | -72.5 | 104.6 | -167.5 | -170.4 | -11.8 | 0 | 0 | 0 | 108.8 | S256 F260 | S256-N258 PolarHBondContact O-N 3.39Å; N258-F260 WeakPolarHBondContact ND2-CD2 3.45Å; N258-F260 PolarHBondContact O-N 3.02Å; N258-F260 VanDerWaalsContact OD1-CD2 3.3Å; N258-F260 WeakPolarHBondContact OD1-CD2 3.34Å; N258-F260 PolarHBondContact OD1-N 3.15Å | ||
| 259 | K | 47.8 | Very low | 53.1 | Low | 179 Ų | 179 | 105.9 Ų | 105.9 | 78% | 0.778 | 58% | 0.576 | S | S | * | * | trans | -72.5 | 27 | -179.7 | -68.4 | -172.4 | 178.1 | -179.6 | 0 | 113.7 | S257 N261 | S257-K259 PolarHBondContact O-N 2.92Å; K259-N261 PolarHBondContact O-N 3.26Å | ||
| 260 | F | 45.1 | Very low | 51.4 | Low | 140 Ų | 140 | 105.9 Ų | 105.9 | 61% | 0.614 | 58% | 0.584 | S | S | * | * | trans | -61.5 | 91.8 | 148 | -77.8 | -52.3 | 0 | 0 | 0 | 108.4 | N258 P262 V265 | N258-F260 WeakPolarHBondContact ND2-CD2 3.45Å; N258-F260 PolarHBondContact O-N 3.02Å; N258-F260 VanDerWaalsContact OD1-CD2 3.3Å; N258-F260 WeakPolarHBondContact OD1-CD2 3.34Å; N258-F260 PolarHBondContact OD1-N 3.15Å; F260-P262 WeakPolarHBondContact O-CD 3.44Å; F260-V265 HydrophobicContact CD1-CG2 3.82Å; F260-V265 HydrophobicContact CE1-CG2 4.05Å | ||
| 261 | N | 47.4 | Very low | 50.3 | Low | 76 Ų | 76 | 109.7 Ų | 109.7 | 41% | 0.406 | 61% | 0.606 | S | S | . | * | trans | -58.3 | 121.2 | 150.9 | 174.9 | 0.7 | 0 | 0 | 0 | 106 | K259 Q263 S264 | K259-N261 PolarHBondContact O-N 3.26Å; N261-Q263 PolarHBondContact O-N 2.98Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.37Å; N261-Q263 PolarHBondContact OD1-N 3.47Å; N261-S264 PolarHBondContact O-N 3.12Å; N261-S264 PolarHBondContact O-OG 2.89Å | ||
| 262 | P | 53.4 | Low | 49.3 | Very low | 101 Ų | 101 | 113.4 Ų | 113.4 | 66% | 0.656 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -17 | -179.9 | 24.6 | -34 | 0 | 0 | 0 | 112.6 | F260 | F260-P262 WeakPolarHBondContact O-CD 3.44Š|
| 263 | Q | 53.2 | Low | 48.3 | Very low | 171 Ų | 171 | 114.3 Ų | 114.3 | 80% | 0.799 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -8.6 | 174 | -55.5 | 174.1 | -20.7 | 0 | 0 | 113.9 | N261 | N261-Q263 PolarHBondContact O-N 2.98Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.37Å; N261-Q263 PolarHBondContact OD1-N 3.47Å |
| 264 | S | 52.4 | Low | 47.7 | Very low | 72 Ų | 72 | 114.8 Ų | 114.8 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -97.7 | -2.5 | 178 | 74 | 0 | 0 | 0 | 0 | 114.1 | N261 P266 | N261-S264 PolarHBondContact O-N 3.12Å; N261-S264 PolarHBondContact O-OG 2.89Å; S264-P266 WeakPolarHBondContact O-CD 3.4Å |
| 265 | V | 48 | Very low | 47.4 | Very low | 56 Ų | 56 | 112.5 Ų | 112.5 | 34% | 0.339 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -89 | 110.9 | 159.7 | 178.9 | 0 | 0 | 0 | 0 | 106.2 | F260 F267 | F260-V265 HydrophobicContact CD1-CG2 3.82Å; F260-V265 HydrophobicContact CE1-CG2 4.05Å; V265-F267 HydrophobicContact CB-CE2 4.3Å; V265-F267 HydrophobicContact CG1-CE2 4.39Å; V265-F267 WeakPolarHBondContact O-CD2 3.4Å; V265-F267 PolarHBondContact O-N 3.32Å |
| 266 | P | 49 | Very low | 47 | Very low | 114 Ų | 114 | 115.7 Ų | 115.7 | 74% | 0.74 | 65% | 0.649 | S | S | * | * | trans | -68.5 | 100.4 | 172.4 | 28.1 | -32.2 | 0 | 0 | 0 | 108 | S264 A268 | S264-P266 WeakPolarHBondContact O-CD 3.4Å; P266-A268 PolarHBondContact O-N 3.08Å | ||
| 267 | F | 47.3 | Very low | 46.7 | Very low | 164 Ų | 164 | 118.2 Ų | 118.2 | 72% | 0.719 | 66% | 0.661 | S | S | * | * | trans | -67 | 78.5 | 163.8 | -70.8 | -84.8 | 0 | 0 | 0 | 108.5 | V265 L269 | V265-F267 HydrophobicContact CB-CE2 4.3Å; V265-F267 HydrophobicContact CG1-CE2 4.39Å; V265-F267 WeakPolarHBondContact O-CD2 3.4Å; V265-F267 PolarHBondContact O-N 3.32Å; F267-L269 PolarHBondContact O-N 3.49Å | ||
| 268 | A | 45.5 | Very low | 46.4 | Very low | 95 Ų | 95 | 116 Ų | 116 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | trans | -68.7 | 75.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | P266 A270 | P266-A268 PolarHBondContact O-N 3.08Å; A268-A270 PolarHBondContact O-N 3.33Å | ||
| 269 | L | 44 | Very low | 46.2 | Very low | 134 Ų | 134 | 116.7 Ų | 116.7 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | trans | -55.2 | 105.6 | 155.8 | -82.8 | 159.5 | 0 | 0 | 0 | 106.4 | F267 V271 | F267-L269 PolarHBondContact O-N 3.49Å; L269-V271 PolarHBondContact O-N 2.89Å; L269-V271 VanDerWaalsContact O-N 3.15Å | ||
| 270 | A | 40.4 | Very low | 45.6 | Very low | 53 Ų | 53 | 118 Ų | 118 | 44% | 0.438 | 67% | 0.666 | S | S | . | * | trans | -60.4 | 116.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106 | A268 E272 D273 | A268-A270 PolarHBondContact O-N 3.33Å; A270-E272 PolarHBondContact O-N 3.27Å; A270-D273 PolarHBondContact O-N 3.46Å | ||
| 271 | V | 49 | Very low | 45 | Very low | 113 Ų | 113 | 116.3 Ų | 116.3 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -64.1 | -10 | -177.8 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | L269 | L269-V271 PolarHBondContact O-N 2.89Å; L269-V271 VanDerWaalsContact O-N 3.15Å |
| 272 | E | 51.6 | Low | 44.2 | Very low | 166 Ų | 166 | 121.2 Ų | 121.2 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -77.3 | -19.6 | 173.2 | -56.5 | -179 | 150.1 | 0 | 0 | 114.1 | A270 L274 | A270-E272 PolarHBondContact O-N 3.27Å; E272-L274 PolarHBondContact O-N 3.23Å |
| 273 | D | 44.8 | Very low | 43.6 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 51% | 0.513 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -78.8 | 2.8 | 174 | -94.4 | -6 | 0 | 0 | 0 | 112 | A270 R348 | A270-D273 PolarHBondContact O-N 3.46Å; D273-R348 IonicContact OD1-NH2 3.33Å; D273-R348 IonicContact OD2-CZ 2.96Å; D273-R348 IonicContact OD2-NH1 2.93Å; D273-R348 PolarHBondContact OD2-NH1 3.42Å; D273-R348 IonicContact OD2-NH2 2.62Å; D273-R348 PolarHBondContact OD2-NH2 3.21Å |
| 274 | L | 44.4 | Very low | 42.8 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -90.5 | 123.3 | 178.2 | -167 | 75.2 | 0 | 0 | 0 | 110.6 | E272 N276 | E272-L274 PolarHBondContact O-N 3.23Å; L274-N276 PolarHBondContact O-N 3.27Å |
| 275 | P | 48.4 | Very low | 41.8 | Very low | 101 Ų | 101 | 122 Ų | 122 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | trans | -63.6 | 121.9 | -179.5 | 25.6 | -33.7 | 0 | 0 | 0 | 110.6 | T277 | P275-T277 PolarHBondContact O-N 3.33Š| ||
| 276 | N | 42.4 | Very low | 41.1 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -71.4 | 95 | -174 | -170.4 | 4.8 | 0 | 0 | 0 | 110.8 | L274 G278 | L274-N276 PolarHBondContact O-N 3.27Å; N276-G278 PolarHBondContact O-N 3.27Å | ||
| 277 | T | 38.9 | Very low | 40.1 | Very low | 138 Ų | 138 | 127 Ų | 127 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 63 | -176.2 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | P275 | P275-T277 PolarHBondContact O-N 3.33Š|
| 278 | G | 38.2 | Very low | 39.6 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -17.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N276 | N276-G278 PolarHBondContact O-N 3.27Š|
| 279 | N | 38.5 | Very low | 38.9 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -102 | 122.8 | -178 | 50.9 | -10.4 | 0 | 0 | 0 | 112.5 | T281 | N279-T281 PolarHBondContact O-N 3.02Š|
| 280 | K | 34.7 | Very low | 38.3 | Very low | 208 Ų | 208 | 124.9 Ų | 124.9 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | trans | -75.9 | 100 | -179.8 | -62 | 169.6 | -177.6 | 171.8 | 0 | 110.9 | ||||
| 281 | T | 33.3 | Very low | 37.9 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 64% | 0.638 | 74% | 0.741 | S | S | * | * | trans | -134.4 | 107.8 | 166.1 | -42 | 0 | 0 | 0 | 0 | 110.2 | N279 I283 | N279-T281 PolarHBondContact O-N 3.02Å; T281-I283 HydrophobicContact CG2-CD1 3.96Å; T281-I283 HydrophobicContact CG2-CG1 3.94Å; T281-I283 PolarHBondContact O-N 3.32Å | ||
| 282 | L | 31.3 | Very low | 37.1 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 94% | 0.937 | 75% | 0.748 | S | S | * | * | trans | -72.4 | 111.2 | 173.2 | -66.6 | 103 | 0 | 0 | 0 | 109.4 | ||||
| 283 | I | 39.5 | Very low | 36.3 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | -130.4 | 131.3 | 171.2 | -59.6 | -175.5 | 0 | 0 | 0 | 106.3 | T281 | T281-I283 HydrophobicContact CG2-CD1 3.96Å; T281-I283 HydrophobicContact CG2-CG1 3.94Å; T281-I283 PolarHBondContact O-N 3.32Å | ||
| 284 | P | 37.3 | Very low | 35.6 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | -79 | 153.1 | -143.1 | 28 | -36.5 | 0 | 0 | 0 | 114.8 | L286 | P284-L286 PolarHBondContact O-N 2.92Å; P284-L286 VanDerWaalsContact O-N 3.14Å | ||
| 285 | S | 31 | Very low | 35.2 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -54.6 | 114.9 | 162.3 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | T287 | S285-T287 VanDerWaalsContact C-N 3.31Å; S285-T287 PolarHBondContact O-N 3.15Å | ||
| 286 | L | 33.1 | Very low | 34.4 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -71.6 | 87.8 | 177 | -170.5 | 75 | 0 | 0 | 0 | 109.7 | P284 I288 | P284-L286 PolarHBondContact O-N 2.92Å; P284-L286 VanDerWaalsContact O-N 3.14Å; L286-I288 PolarHBondContact O-N 3.29Å | ||
| 287 | T | 28.7 | Very low | 34 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | trans | -61.4 | 99.8 | 170.9 | -58.1 | 0 | 0 | 0 | 0 | 108.9 | S285 G289 | S285-T287 VanDerWaalsContact C-N 3.31Å; S285-T287 PolarHBondContact O-N 3.15Å; T287-G289 VanDerWaalsContact C-N 3.25Å; T287-G289 PolarHBondContact O-N 2.87Å | ||
| 288 | I | 36.5 | Very low | 33.7 | Very low | 148 Ų | 148 | 126.2 Ų | 126.2 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | -71.7 | 88.1 | 172.5 | -58.9 | 179.5 | 0 | 0 | 0 | 107.3 | L286 T290 | L286-I288 PolarHBondContact O-N 3.29Å; I288-T290 PolarHBondContact O-N 3.14Å | ||
| 289 | G | 31.3 | Very low | 33.6 | Very low | 53 Ų | 53 | 128.6 Ų | 128.6 | 55% | 0.546 | 73% | 0.729 | S | S | . | * | trans | -62.3 | 122.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T287 S291 | T287-G289 VanDerWaalsContact C-N 3.25Å; T287-G289 PolarHBondContact O-N 2.87Å; G289-S291 PolarHBondContact O-N 3.34Å; G289-S291 VanDerWaalsContact O-N 3.09Å | ||
| 290 | T | 31.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 126.9 Ų | 126.9 | 91% | 0.914 | 73% | 0.727 | S | S | * | * | trans | -78.6 | 85.8 | 173.1 | 50.4 | 0 | 0 | 0 | 0 | 110.2 | I288 | I288-T290 PolarHBondContact O-N 3.14Š| ||
| 291 | S | 32.2 | Very low | 33.2 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | -137.1 | 147.1 | 169.2 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | G289 | G289-S291 PolarHBondContact O-N 3.34Å; G289-S291 VanDerWaalsContact O-N 3.09Å | ||
| 292 | N | 32.4 | Very low | 33.4 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -93.3 | 165.9 | -179.2 | -63.5 | -55.1 | 0 | 0 | 0 | 111 | ||||
| 293 | Q | 34 | Very low | 33.6 | Very low | 185 Ų | 185 | 121.1 Ų | 121.1 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | 93.7 | 101 | 171.9 | -51.8 | -168.1 | 26.8 | 0 | 0 | 118.5 | ||||
| 294 | L | 30.1 | Very low | 33.5 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | 39.3 | 139.8 | 122.2 | -91.5 | 68 | 0 | 0 | 0 | 124 | |||||
| 295 | N | 36 | Very low | 33.4 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | trans | 97.1 | 83.2 | 140.9 | -64.2 | -0.4 | 0 | 0 | 0 | 123.2 | ||||
| 296 | T | 32.2 | Very low | 33.5 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | 58.7 | 121.4 | 119.3 | 54.5 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 297 | S | 32.5 | Very low | 33.6 | Very low | 76 Ų | 76 | 120.4 Ų | 120.4 | 53% | 0.531 | 72% | 0.715 | S | S | . | * | trans | 68.2 | 149 | 139.9 | -64.5 | 0 | 0 | 0 | 0 | 119.4 | Q58 | Q58-S297 PolarHBondContact O-OG 2.87Š| ||
| 298 | S | 34.4 | Very low | 33.9 | Very low | 50 Ų | 50 | 121.3 Ų | 121.3 | 35% | 0.35 | 72% | 0.72 | S | S | . | * | cis | -171.2 | 176.7 | -4.3 | 41.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 299 | I | 35.4 | Very low | 33.8 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 61% | 0.605 | 71% | 0.713 | S | S | * | * | trans | 76.7 | 152.6 | 167.6 | -52.1 | 174 | 0 | 0 | 0 | 115.8 | ||||
| 300 | S | 33.8 | Very low | 33.9 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | cis | -171 | 152.7 | -42.3 | -80.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 301 | T | 31.4 | Very low | 34.1 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | trans | 39.8 | 121.3 | 149.3 | -41.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 302 | T | 37 | Very low | 34.4 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | 173.2 | 115.5 | 116.6 | 39.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 303 | V | 35.4 | Very low | 34.5 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 74% | 0.739 | 70% | 0.698 | S | S | * | * | 59.9 | 117.5 | 91.3 | -165.9 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 304 | N | 38.3 | Very low | 34.4 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | trans | 153.6 | 160.3 | 144.6 | -83.3 | 5.6 | 0 | 0 | 0 | 111.7 | ||||
| 305 | E | 33.9 | Very low | 35 | Very low | 164 Ų | 164 | 114.6 Ų | 114.6 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | cis | -167 | 166 | -48.3 | -144.1 | -161.4 | 151.5 | 0 | 0 | 110.8 | ||||
| 306 | V | 34 | Very low | 34.8 | Very low | 126 Ų | 126 | 116 Ų | 116 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | trans | 66.1 | 140.1 | 159.4 | -176.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 307 | G | 34.5 | Very low | 34.9 | Very low | 65 Ų | 65 | 118.5 Ų | 118.5 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | trans | 128.6 | 92.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 308 | V | 35 | Very low | 34.8 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 85% | 0.848 | 72% | 0.721 | S | S | * | * | cis | 67.9 | 121.5 | 45.3 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 309 | S | 34.1 | Very low | 34.8 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | cis | -172.6 | 161 | -1.1 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 310 | N | 33.9 | Very low | 34.9 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | 64 | 158.7 | 152.5 | -76.7 | -1.3 | 0 | 0 | 0 | 120 | ||||
| 311 | T | 36.5 | Very low | 35.1 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 61% | 0.613 | 76% | 0.758 | S | S | * | * | cis | -161 | 148.5 | -8.4 | 19.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 312 | N | 36.7 | Very low | 35.1 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 68.1 | 124.5 | 135.9 | -66.6 | 11.8 | 0 | 0 | 0 | 124.7 | ||||
| 313 | N | 34.8 | Very low | 34.7 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | 98.2 | 123.7 | 126.5 | -76.6 | 45.2 | 0 | 0 | 0 | 123.3 | |||||
| 314 | D | 33.1 | Very low | 34.5 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 63.7 | 111.3 | 134.4 | -49.1 | -21.9 | 0 | 0 | 0 | 121.4 | ||||
| 315 | G | 42.1 | Very low | 34.3 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 176 | 36.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | L317 | G315-L317 PolarHBondContact O-N 3.49Š| ||
| 316 | N | 31.7 | Very low | 34 | Very low | 157 Ų | 157 | 123.8 Ų | 123.8 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | -84.2 | 103.4 | -169.3 | -175.1 | 13 | 0 | 0 | 0 | 114.2 | ||||
| 317 | L | 33.7 | Very low | 34 | Very low | 172 Ų | 172 | 123.7 Ų | 123.7 | 90% | 0.901 | 76% | 0.758 | S | S | * | * | trans | -163.7 | 117.7 | 157 | -114 | 160.1 | 0 | 0 | 0 | 112.3 | G315 | G315-L317 PolarHBondContact O-N 3.49Š| ||
| 318 | L | 31.3 | Very low | 33.6 | Very low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -109.8 | 140.7 | -169.4 | -145.7 | 169.2 | 0 | 0 | 0 | 111.9 | V320 | L318-V320 HydrophobicContact CD2-CG2 4.47Š| ||
| 319 | K | 33.2 | Very low | 33.4 | Very low | 203 Ų | 203 | 129.6 Ų | 129.6 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -142.6 | 138.2 | 169.7 | -150.7 | 170.3 | -175.2 | 177.5 | 0 | 111.9 | ||||
| 320 | V | 38.9 | Very low | 33.2 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | trans | -99 | 154.4 | -159.2 | -171.8 | 0 | 0 | 0 | 0 | 112.8 | L318 | L318-V320 HydrophobicContact CD2-CG2 4.47Š| ||
| 321 | P | 38.2 | Very low | 33.3 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | trans | -133.1 | 150 | 133.1 | 37.1 | -26.8 | 0 | 0 | 0 | 114.8 | ||||
| 322 | E | 30.1 | Very low | 33.1 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | trans | -85.1 | 144.3 | 172.9 | -54.1 | 167 | 106.3 | 0 | 0 | 110.5 | R412 | E322-R412 IonicContact OE2-CZ 2.89Å; E322-R412 IonicContact OE2-NH1 3.74Å; E322-R412 PolarHBondContact OE2-NH1 3.18Å | ||
| 323 | G | 30.2 | Very low | 33.3 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | -172.3 | 79.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 324 | S | 29.6 | Very low | 33.5 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | 16.7 | 126.5 | 151.7 | 59.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 325 | S | 34.3 | Very low | 33.6 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | -155.3 | 137.6 | 127.7 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 326 | A | 28 | Very low | 33.4 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | -128.4 | 115 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q328 | A326-Q328 PolarHBondContact O-N 2.84Š| ||
| 327 | V | 34.1 | Very low | 33.5 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -76.4 | 114.3 | -170.3 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | L329 | V327-L329 HydrophobicContact CG1-CD1 4.28Š| ||
| 328 | Q | 26.2 | Very low | 33.8 | Very low | 177 Ų | 177 | 124.9 Ų | 124.9 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -69.4 | 142.5 | 159.1 | -73.3 | -176.4 | -26.7 | 0 | 0 | 109.7 | A326 | A326-Q328 PolarHBondContact O-N 2.84Š| ||
| 329 | L | 31.9 | Very low | 34.6 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | -148.5 | 121.4 | 154.8 | -110.9 | 152.6 | 0 | 0 | 0 | 110.6 | V327 | V327-L329 HydrophobicContact CG1-CD1 4.28Š| ||
| 330 | T | 28.4 | Very low | 34.9 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -95.5 | 132.2 | 176.2 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 331 | T | 36.7 | Very low | 35.7 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 56% | 0.558 | 73% | 0.727 | S | S | * | * | trans | -149.5 | 119.9 | 162.3 | 21 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 332 | S | 31.2 | Very low | 37 | Very low | 101 Ų | 101 | 114.5 Ų | 114.5 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | 66.1 | 120.2 | 66.7 | -163.8 | 0 | 0 | 0 | 0 | 111.9 | N334 | S332-N334 VanDerWaalsContact C-N 3.31Å; S332-N334 PolarHBondContact O-N 3.42Å | |||
| 333 | A | 41.6 | Very low | 38.6 | Very low | 99 Ų | 99 | 114.6 Ų | 114.6 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -5.2 | -155.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 334 | N | 38.6 | Very low | 40.3 | Very low | 150 Ų | 150 | 115.4 Ų | 115.4 | 80% | 0.802 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 12.7 | -159.4 | -67.2 | -11 | 0 | 0 | 0 | 115.3 | S332 | S332-N334 VanDerWaalsContact C-N 3.31Å; S332-N334 PolarHBondContact O-N 3.42Å |
| 335 | T | 36.3 | Very low | 42.2 | Very low | 95 Ų | 95 | 113.6 Ų | 113.6 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -126.5 | 132.3 | 172.8 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | L337 | T335-L337 PolarHBondContact O-N 2.99Š|
| 336 | P | 37.8 | Very low | 43.7 | Very low | 115 Ų | 115 | 110.6 Ų | 110.6 | 75% | 0.747 | 66% | 0.656 | S | S | * | * | trans | -71.7 | 112.6 | 176.4 | 28.9 | -32.7 | 0 | 0 | 0 | 109.7 | V338 | P336-V338 VanDerWaalsContact C-N 3.34Å; P336-V338 PolarHBondContact O-N 3.33Å | ||
| 337 | L | 32.9 | Very low | 45.4 | Very low | 135 Ų | 135 | 114 Ų | 114 | 71% | 0.707 | 65% | 0.648 | S | S | * | * | trans | -71 | 88.9 | 175.2 | -172.2 | 73.4 | 0 | 0 | 0 | 109.8 | T335 I339 | T335-L337 PolarHBondContact O-N 2.99Å; L337-I339 VanDerWaalsContact C-N 3.3Å; L337-I339 HydrophobicContact CD2-CD1 4.16Å; L337-I339 HydrophobicContact CD2-CG1 3.97Å; L337-I339 HydrophobicContact CG-CG1 4.02Å; L337-I339 PolarHBondContact O-N 3.06Å | ||
| 338 | V | 39.6 | Very low | 46.9 | Very low | 130 Ų | 130 | 114.3 Ų | 114.3 | 79% | 0.788 | 64% | 0.636 | S | S | * | * | trans | -71.5 | 87.9 | 173.2 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | P336 G340 | P336-V338 VanDerWaalsContact C-N 3.34Å; P336-V338 PolarHBondContact O-N 3.33Å; V338-G340 PolarHBondContact O-N 3.49Å | ||
| 339 | I | 48.3 | Very low | 49.2 | Very low | 118 Ų | 118 | 110.2 Ų | 110.2 | 61% | 0.605 | 62% | 0.619 | S | S | * | * | trans | -68.3 | 103.2 | 171.2 | -59.2 | 175.8 | 0 | 0 | 0 | 107.4 | L337 I341 | L337-I339 VanDerWaalsContact C-N 3.3Å; L337-I339 HydrophobicContact CD2-CD1 4.16Å; L337-I339 HydrophobicContact CD2-CG1 3.97Å; L337-I339 HydrophobicContact CG-CG1 4.02Å; L337-I339 PolarHBondContact O-N 3.06Å; I339-I341 HydrophobicContact CG2-CG1 4.33Å; I339-I341 PolarHBondContact O-N 3.41Å | ||
| 340 | G | 40.8 | Very low | 51 | Low | 65 Ų | 65 | 106 Ų | 106 | 67% | 0.67 | 60% | 0.602 | S | S | * | * | trans | -65.5 | 95.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V338 D342 | V338-G340 PolarHBondContact O-N 3.49Å; G340-D342 PolarHBondContact O-N 3.15Å; G340-D342 VanDerWaalsContact O-N 3.07Å | ||
| 341 | I | 54.8 | Low | 52.9 | Low | 97 Ų | 97 | 104 Ų | 104 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | trans | -72.4 | 101.8 | 174.8 | -56.8 | 179.6 | 0 | 0 | 0 | 107.6 | I339 Q345 A346 | I339-I341 HydrophobicContact CG2-CG1 4.33Å; I339-I341 PolarHBondContact O-N 3.41Å; I341-Q345 HydrophobicContact CG2-CB 3.7Å; I341-A346 HydrophobicContact CG2-CB 4.03Å | ||
| 342 | D | 66.9 | Low | 54.4 | Low | 85 Ų | 85 | 102.1 Ų | 102.1 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | trans | -55.2 | 151 | 176.2 | 175.3 | 37.6 | 0 | 0 | 0 | 111.6 | G340 I344 Q345 A346 | G340-D342 PolarHBondContact O-N 3.15Å; G340-D342 VanDerWaalsContact O-N 3.07Å; D342-I344 PolarHBondContact O-N 3.41Å; D342-I344 VanDerWaalsContact O-N 3.1Å; D342-Q345 HydrophobicContact CB-CG 4.31Å; D342-Q345 CarbonylContact O-C 3.57Å; D342-Q345 WeakPolarHBondContact O-CA 3.38Å; D342-Q345 WeakPolarHBondContact O-CB 3.34Å; D342-Q345 PolarHBondContact O-N 3.27Å; D342-A346 PolarHBondContact O-N 3.47Å | ||
| 343 | H | 61.7 | Low | 56.3 | Low | 151 Ų | 151 | 102.2 Ų | 102.2 | 70% | 0.699 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.4 | -30.7 | -174 | -166.9 | -40.6 | 0 | 0 | 0 | 111.9 | R347 | H343-R347 VanDerWaalsContact O-CB 3.29Å; H343-R347 WeakPolarHBondContact O-CB 3.37Å; H343-R347 PolarHBondContact O-N 3.48Å |
| 344 | I | 67.8 | Low | 57.6 | Low | 87 Ų | 87 | 103 Ų | 103 | 45% | 0.446 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.5 | -44.2 | 173.5 | -59.7 | 175 | 0 | 0 | 0 | 110.6 | D342 R347 R348 | D342-I344 PolarHBondContact O-N 3.41Å; D342-I344 VanDerWaalsContact O-N 3.1Å; I344-R347 PolarHBondContact O-N 3.15Å; I344-R348 WeakPolarHBondContact O-CB 3.36Å; I344-R348 WeakPolarHBondContact O-CG 3.49Å; I344-R348 PolarHBondContact O-N 3.32Å |
| 345 | Q | 67.7 | Low | 58.7 | Low | 88 Ų | 88 | 101.5 Ų | 101.5 | 41% | 0.411 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 176.9 | -60 | -177.8 | 15.9 | 0 | 0 | 111.6 | I341 D342 R347 R348 L349 | I341-Q345 HydrophobicContact CG2-CB 3.7Å; D342-Q345 HydrophobicContact CB-CG 4.31Å; D342-Q345 CarbonylContact O-C 3.57Å; D342-Q345 WeakPolarHBondContact O-CA 3.38Å; D342-Q345 WeakPolarHBondContact O-CB 3.34Å; D342-Q345 PolarHBondContact O-N 3.27Å; Q345-R347 VanDerWaalsContact C-N 3.31Å; Q345-R347 PolarHBondContact O-N 3.06Å; Q345-R348 PolarHBondContact O-N 2.97Å; Q345-L349 VanDerWaalsContact O-CB 3.29Å; Q345-L349 WeakPolarHBondContact O-CB 3.16Å; Q345-L349 PolarHBondContact O-N 3.3Å |
| 346 | A | 66.2 | Low | 59.6 | Low | 41 Ų | 41 | 102.8 Ų | 102.8 | 34% | 0.339 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I341 D342 L349 S350 | I341-A346 HydrophobicContact CG2-CB 4.03Å; D342-A346 PolarHBondContact O-N 3.47Å; A346-L349 PolarHBondContact O-N 2.89Å; A346-S350 WeakPolarHBondContact O-CB 3.39Å; A346-S350 PolarHBondContact O-N 3.01Å; A346-S350 PolarHBondContact O-OG 2.87Å |
| 347 | R | 64.8 | Low | 60.6 | Low | 166 Ų | 166 | 99.7 Ų | 99.7 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71.4 | -38.1 | 175.5 | -171 | 177.5 | 179.5 | 178.7 | 0.1 | 113 | H343 I344 Q345 S350 M351 | H343-R347 VanDerWaalsContact O-CB 3.29Å; H343-R347 WeakPolarHBondContact O-CB 3.37Å; H343-R347 PolarHBondContact O-N 3.48Å; I344-R347 PolarHBondContact O-N 3.15Å; Q345-R347 VanDerWaalsContact C-N 3.31Å; Q345-R347 PolarHBondContact O-N 3.06Å; R347-S350 PolarHBondContact O-OG 3.25Å; R347-M351 HydrophobicContact CG-CE 4.36Å; R347-M351 WeakPolarHBondContact O-CG 3.49Å; R347-M351 PolarHBondContact O-N 3.1Å; R347-M351 VanDerWaalsContact O-N 3.15Å |
| 348 | R | 65.4 | Low | 61.6 | Low | 132 Ų | 132 | 102.4 Ų | 102.4 | 50% | 0.498 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 172.1 | -72.1 | 175 | -176.3 | 167 | 5.3 | 110.4 | D273 I344 Q345 A352 | D273-R348 IonicContact OD1-NH2 3.33Å; D273-R348 IonicContact OD2-CZ 2.96Å; D273-R348 IonicContact OD2-NH1 2.93Å; D273-R348 PolarHBondContact OD2-NH1 3.42Å; D273-R348 IonicContact OD2-NH2 2.62Å; D273-R348 PolarHBondContact OD2-NH2 3.21Å; I344-R348 WeakPolarHBondContact O-CB 3.36Å; I344-R348 WeakPolarHBondContact O-CG 3.49Å; I344-R348 PolarHBondContact O-N 3.32Å; Q345-R348 PolarHBondContact O-N 2.97Å; R348-A352 WeakPolarHBondContact O-CB 3.45Å; R348-A352 PolarHBondContact O-N 3.4Å |
| 349 | L | 73.1 | Confident | 62.2 | Low | 91 Ų | 91 | 100.8 Ų | 100.8 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 178.1 | -176.2 | 147 | 0 | 0 | 0 | 113 | Q345 A346 A352 L353 | Q345-L349 VanDerWaalsContact O-CB 3.29Å; Q345-L349 WeakPolarHBondContact O-CB 3.16Å; Q345-L349 PolarHBondContact O-N 3.3Å; A346-L349 PolarHBondContact O-N 2.89Å; L349-A352 PolarHBondContact O-N 3.45Å; L349-L353 HydrophobicContact CD2-CD1 3.66Å; L349-L353 HydrophobicContact CD2-CG 4.32Å; L349-L353 PolarHBondContact O-N 3.05Å |
| 350 | S | 69.6 | Low | 62.3 | Low | 62 Ų | 62 | 99.4 Ų | 99.4 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 177.1 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | A346 R347 L353 Q354 | A346-S350 WeakPolarHBondContact O-CB 3.39Å; A346-S350 PolarHBondContact O-N 3.01Å; A346-S350 PolarHBondContact O-OG 2.87Å; R347-S350 PolarHBondContact O-OG 3.25Å; S350-L353 PolarHBondContact O-N 2.85Å; S350-Q354 WeakPolarHBondContact O-CB 3.45Å; S350-Q354 PolarHBondContact O-N 3.22Å |
| 351 | M | 69 | Low | 62.6 | Low | 85 Ų | 85 | 104.5 Ų | 104.5 | 42% | 0.419 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 171.1 | -71.7 | -170.7 | -64.5 | 0 | 0 | 111.8 | R347 L353 Q354 H355 | R347-M351 HydrophobicContact CG-CE 4.36Å; R347-M351 WeakPolarHBondContact O-CG 3.49Å; R347-M351 PolarHBondContact O-N 3.1Å; R347-M351 VanDerWaalsContact O-N 3.15Å; M351-L353 VanDerWaalsContact C-N 3.35Å; M351-L353 PolarHBondContact O-N 3.28Å; M351-Q354 PolarHBondContact O-N 3.37Å; M351-Q354 VanDerWaalsContact O-N 3.11Å; M351-H355 PolarHBondContact O-CD2 3.03Å; M351-H355 PolarHBondContact O-N 2.62Å |
| 352 | A | 68.6 | Low | 61.9 | Low | 52 Ų | 52 | 106.2 Ų | 106.2 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R348 L349 H355 L356 | R348-A352 WeakPolarHBondContact O-CB 3.45Å; R348-A352 PolarHBondContact O-N 3.4Å; L349-A352 PolarHBondContact O-N 3.45Å; A352-H355 PolarHBondContact O-N 3.01Å; A352-L356 WeakPolarHBondContact O-CB 3.45Å; A352-L356 PolarHBondContact O-N 2.89Å |
| 353 | L | 71.3 | Confident | 60.5 | Low | 103 Ų | 103 | 107.5 Ų | 107.5 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 173 | -76.2 | 175.1 | 0 | 0 | 0 | 112.7 | L349 S350 M351 L356 S357 | L349-L353 HydrophobicContact CD2-CD1 3.66Å; L349-L353 HydrophobicContact CD2-CG 4.32Å; L349-L353 PolarHBondContact O-N 3.05Å; S350-L353 PolarHBondContact O-N 2.85Å; M351-L353 VanDerWaalsContact C-N 3.35Å; M351-L353 PolarHBondContact O-N 3.28Å; L353-L356 PolarHBondContact O-N 2.88Å; L353-S357 PolarHBondContact O-N 3.03Å; L353-S357 PolarHBondContact O-OG 2.79Å |
| 354 | Q | 68.7 | Low | 59.6 | Low | 114 Ų | 114 | 108 Ų | 108 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.6 | -30.1 | 179 | -159.9 | 174.8 | 29.8 | 0 | 0 | 112.6 | S350 M351 S357 R358 | S350-Q354 WeakPolarHBondContact O-CB 3.45Å; S350-Q354 PolarHBondContact O-N 3.22Å; M351-Q354 PolarHBondContact O-N 3.37Å; M351-Q354 VanDerWaalsContact O-N 3.11Å; Q354-S357 PolarHBondContact O-OG 3.41Å; Q354-S357 VanDerWaalsContact O-OG 3.09Å; Q354-R358 WeakPolarHBondContact O-CB 3.41Å; Q354-R358 PolarHBondContact O-N 2.89Å |
| 355 | H | 62 | Low | 58.2 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -74.5 | -37.8 | 167.8 | -75.7 | -70.9 | 0 | 0 | 0 | 112.2 | M351 A352 N359 | M351-H355 PolarHBondContact O-CD2 3.03Å; M351-H355 PolarHBondContact O-N 2.62Å; A352-H355 PolarHBondContact O-N 3.01Å; H355-N359 WeakPolarHBondContact O-CB 3.42Å; H355-N359 PolarHBondContact O-N 2.77Å; H355-N359 PolarHBondContact O-ND2 3.05Å |
| 356 | L | 55.2 | Low | 56.7 | Low | 122 Ų | 122 | 113.9 Ų | 113.9 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.9 | -43.4 | 173.8 | -102.3 | 159.1 | 0 | 0 | 0 | 112 | A352 L353 S360 | A352-L356 WeakPolarHBondContact O-CB 3.45Å; A352-L356 PolarHBondContact O-N 2.89Å; L353-L356 PolarHBondContact O-N 2.88Å; L356-S360 PolarHBondContact O-N 2.91Å; L356-S360 VanDerWaalsContact O-N 3.17Å |
| 357 | S | 58.9 | Low | 55.1 | Low | 51 Ų | 51 | 116.8 Ų | 116.8 | 36% | 0.357 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.5 | -51 | 176.9 | 66.9 | 0 | 0 | 0 | 0 | 111.1 | L353 Q354 N359 S360 F361 | L353-S357 PolarHBondContact O-N 3.03Å; L353-S357 PolarHBondContact O-OG 2.79Å; Q354-S357 PolarHBondContact O-OG 3.41Å; Q354-S357 VanDerWaalsContact O-OG 3.09Å; S357-N359 VanDerWaalsContact C-N 3.3Å; S357-N359 PolarHBondContact O-N 2.97Å; S357-S360 PolarHBondContact O-N 3.07Å; S357-S360 PolarHBondContact O-OG 3.33Å; S357-F361 VanDerWaalsContact O-CD2 3.28Å; S357-F361 WeakPolarHBondContact O-CD2 3.29Å; S357-F361 PolarHBondContact O-N 2.88Å |
| 358 | R | 52.6 | Low | 53.7 | Low | 191 Ų | 191 | 112.9 Ų | 112.9 | 72% | 0.721 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -55.3 | -40.2 | 176.6 | -86.8 | -177.3 | 150.1 | 148.7 | -5.1 | 113.4 | Q354 S360 | Q354-R358 WeakPolarHBondContact O-CB 3.41Å; Q354-R358 PolarHBondContact O-N 2.89Å; R358-S360 VanDerWaalsContact C-N 3.32Å; R358-S360 PolarHBondContact O-N 2.94Å |
| 359 | N | 53.4 | Low | 52.6 | Low | 96 Ų | 96 | 112.9 Ų | 112.9 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74.1 | -17.9 | 177.1 | -74.9 | -56.1 | 0 | 0 | 0 | 114.1 | H355 S357 | H355-N359 WeakPolarHBondContact O-CB 3.42Å; H355-N359 PolarHBondContact O-N 2.77Å; H355-N359 PolarHBondContact O-ND2 3.05Å; S357-N359 VanDerWaalsContact C-N 3.3Å; S357-N359 PolarHBondContact O-N 2.97Å |
| 360 | S | 50.8 | Low | 51.2 | Low | 89 Ų | 89 | 117.4 Ų | 117.4 | 62% | 0.622 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -86.4 | -16.5 | 177.9 | 69.8 | 0 | 0 | 0 | 0 | 114.5 | L356 S357 R358 | L356-S360 PolarHBondContact O-N 2.91Å; L356-S360 VanDerWaalsContact O-N 3.17Å; S357-S360 PolarHBondContact O-N 3.07Å; S357-S360 PolarHBondContact O-OG 3.33Å; R358-S360 VanDerWaalsContact C-N 3.32Å; R358-S360 PolarHBondContact O-N 2.94Å |
| 361 | F | 45.8 | Very low | 50 | Low | 172 Ų | 172 | 119.5 Ų | 119.5 | 75% | 0.754 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -91.1 | -4.7 | 178.2 | -78.2 | -68.5 | 0 | 0 | 0 | 114.6 | S357 P363 | S357-F361 VanDerWaalsContact O-CD2 3.28Å; S357-F361 WeakPolarHBondContact O-CD2 3.29Å; S357-F361 PolarHBondContact O-N 2.88Å; F361-P363 WeakPolarHBondContact O-CD 3.4Å |
| 362 | Q | 40.8 | Very low | 49 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 62% | 0.621 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -84.9 | 109.2 | 175.2 | -167.1 | 171.4 | 36.2 | 0 | 0 | 109.6 | Q364 | Q362-Q364 PolarHBondContact O-N 3.09Š|
| 363 | P | 38.1 | Very low | 48.2 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | trans | -70.3 | 103.6 | 179.6 | 29.2 | -34 | 0 | 0 | 0 | 109.4 | F361 T365 | F361-P363 WeakPolarHBondContact O-CD 3.4Å; P363-T365 PolarHBondContact O-N 2.87Å; P363-T365 VanDerWaalsContact O-N 3.14Å | ||
| 364 | Q | 41.7 | Very low | 47.3 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 75% | 0.752 | 65% | 0.647 | S | S | * | * | trans | -63.8 | 115.9 | 168.7 | -68.2 | -172.3 | 1.1 | 0 | 0 | 108.2 | Q362 L366 | Q362-Q364 PolarHBondContact O-N 3.09Å; Q364-L366 PolarHBondContact O-N 3.27Å | ||
| 365 | T | 38.8 | Very low | 46.7 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 73% | 0.73 | 64% | 0.643 | S | S | * | * | trans | -62.4 | 128.1 | -175.1 | 38.2 | 0 | 0 | 0 | 0 | 110.8 | P363 S367 | P363-T365 PolarHBondContact O-N 2.87Å; P363-T365 VanDerWaalsContact O-N 3.14Å; T365-S367 VanDerWaalsContact C-N 3.27Å; T365-S367 PolarHBondContact O-N 3.25Å | ||
| 366 | L | 35.8 | Very low | 46.1 | Very low | 181 Ų | 181 | 123.5 Ų | 123.5 | 95% | 0.948 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -73.9 | 75.9 | -178.6 | -83 | 77.8 | 0 | 0 | 0 | 111.1 | Q364 | Q364-L366 PolarHBondContact O-N 3.27Š|
| 367 | S | 33.8 | Very low | 46.4 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | trans | -148.5 | 27.5 | 179.3 | 60.2 | 0 | 0 | 0 | 0 | 115.9 | T365 | T365-S367 VanDerWaalsContact C-N 3.27Å; T365-S367 PolarHBondContact O-N 3.25Å | ||
| 368 | S | 34.9 | Very low | 46.4 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | trans | -148.1 | 61.8 | 172.1 | -152.2 | 0 | 0 | 0 | 0 | 115.9 | K370 | S368-K370 PolarHBondContact O-N 3.32Š| ||
| 369 | H | 42.5 | Very low | 46.3 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 61% | 0.606 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 43.8 | 173 | -168.5 | 85.4 | 0 | 0 | 0 | 113 | G82 | G82-H369 PolarHBondContact O-CE1 3.01Å; G82-H369 PolarHBondContact O-NE2 3.45Å |
| 370 | K | 44 | Very low | 46.5 | Very low | 187 Ų | 187 | 118.4 Ų | 118.4 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.7 | -0.9 | -180 | -85 | -165.9 | 175.6 | 178.7 | 0 | 115.6 | S368 | S368-K370 PolarHBondContact O-N 3.32Š|
| 371 | H | 42.5 | Very low | 46.9 | Very low | 106 Ų | 106 | 120.8 Ų | 120.8 | 49% | 0.491 | 63% | 0.633 | S | S | . | * | trans | -135.3 | 37.3 | -166 | -106.9 | -53.4 | 0 | 0 | 0 | 115.2 | T373 T374 S375 | H371-T373 PolarHBondContact O-N 3.49Å; H371-T373 VanDerWaalsContact O-N 3.16Å; H371-T374 WeakPolarHBondContact CB-OG1 3.29Å; H371-T374 WeakPolarHBondContact ND1-CG2 3.3Å; H371-T374 PolarHBondContact O-N 3.32Å; H371-T374 PolarHBondContact O-OG1 3.01Å; H371-S375 PolarHBondContact O-N 2.91Å | ||
| 372 | E | 49 | Very low | 47.4 | Very low | 174 Ų | 174 | 119.7 Ų | 119.7 | 81% | 0.813 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -54.7 | -34.9 | -178.2 | -160.3 | 160.8 | -140.9 | 0 | 0 | 113.3 | T374 S375 | E372-T374 PolarHBondContact O-N 2.96Å; E372-S375 WeakPolarHBondContact O-CB 3.41Å; E372-S375 PolarHBondContact O-N 2.87Å |
| 373 | T | 51.8 | Low | 48.3 | Very low | 108 Ų | 108 | 119 Ų | 119 | 66% | 0.663 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.3 | -34.9 | 173.9 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | H371 L377 | H371-T373 PolarHBondContact O-N 3.49Å; H371-T373 VanDerWaalsContact O-N 3.16Å; T373-L377 WeakPolarHBondContact O-CB 3.39Å; T373-L377 PolarHBondContact O-N 3.41Å; T373-L377 VanDerWaalsContact O-N 3.14Å |
| 374 | T | 52.3 | Low | 49.4 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 42% | 0.423 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -78.2 | -24 | 178.5 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | H371 E372 L377 N378 | H371-T374 WeakPolarHBondContact CB-OG1 3.29Å; H371-T374 WeakPolarHBondContact ND1-CG2 3.3Å; H371-T374 PolarHBondContact O-N 3.32Å; H371-T374 PolarHBondContact O-OG1 3.01Å; E372-T374 PolarHBondContact O-N 2.96Å; T374-L377 PolarHBondContact O-N 2.99Å; T374-N378 WeakPolarHBondContact O-CB 3.25Å; T374-N378 PolarHBondContact O-N 3.33Å |
| 375 | S | 55.4 | Low | 49.8 | Very low | 66 Ų | 66 | 116 Ų | 116 | 46% | 0.462 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.8 | -53.7 | 172.7 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | H371 E372 N378 M379 | H371-S375 PolarHBondContact O-N 2.91Å; E372-S375 WeakPolarHBondContact O-CB 3.41Å; E372-S375 PolarHBondContact O-N 2.87Å; S375-N378 PolarHBondContact O-N 2.99Å; S375-M379 WeakPolarHBondContact O-CB 3.34Å; S375-M379 PolarHBondContact O-N 3.09Å |
| 376 | M | 50.4 | Low | 50.2 | Low | 140 Ų | 140 | 112.8 Ų | 112.8 | 69% | 0.69 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62 | -43.6 | 175.4 | -82.6 | 170.7 | 51.4 | 0 | 0 | 112.8 | N378 M379 A380 | M376-N378 PolarHBondContact O-N 2.92Å; M376-M379 PolarHBondContact O-N 3.27Å; M376-A380 WeakPolarHBondContact O-CB 3.49Å; M376-A380 PolarHBondContact O-N 3.29Å |
| 377 | L | 62.2 | Low | 50.6 | Low | 97 Ų | 97 | 108.7 Ų | 108.7 | 51% | 0.508 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.4 | -36.6 | -178.6 | -165.4 | 151.2 | 0 | 0 | 0 | 112.1 | T373 T374 R381 | T373-L377 WeakPolarHBondContact O-CB 3.39Å; T373-L377 PolarHBondContact O-N 3.41Å; T373-L377 VanDerWaalsContact O-N 3.14Å; T374-L377 PolarHBondContact O-N 2.99Å; L377-R381 WeakPolarHBondContact O-CB 3.47Å; L377-R381 PolarHBondContact O-N 3.01Å |
| 378 | N | 56.8 | Low | 51.1 | Low | 90 Ų | 90 | 107.3 Ų | 107.3 | 48% | 0.481 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73 | -35.3 | 175 | -159.7 | 15.1 | 0 | 0 | 0 | 111.7 | T374 S375 M376 R381 R382 | T374-N378 WeakPolarHBondContact O-CB 3.25Å; T374-N378 PolarHBondContact O-N 3.33Å; S375-N378 PolarHBondContact O-N 2.99Å; M376-N378 PolarHBondContact O-N 2.92Å; N378-R381 PolarHBondContact O-N 3.49Å; N378-R382 WeakPolarHBondContact O-CB 3.4Å; N378-R382 WeakPolarHBondContact O-CG 3.27Å; N378-R382 PolarHBondContact O-N 3.05Å |
| 379 | M | 52.2 | Low | 51.5 | Low | 115 Ų | 115 | 106.7 Ų | 106.7 | 57% | 0.567 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.9 | -46.2 | 171.2 | -170.2 | -178.1 | -63 | 0 | 0 | 111.6 | S375 M376 R382 L383 | S375-M379 WeakPolarHBondContact O-CB 3.34Å; S375-M379 PolarHBondContact O-N 3.09Å; M376-M379 PolarHBondContact O-N 3.27Å; M379-R382 PolarHBondContact O-N 3.15Å; M379-L383 HydrophobicContact CG-CD1 4.35Å; M379-L383 WeakPolarHBondContact O-CG 3.48Å; M379-L383 PolarHBondContact O-N 3.01Å |
| 380 | A | 56 | Low | 51.6 | Low | 50 Ų | 50 | 107.5 Ų | 107.5 | 41% | 0.413 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.7 | -47.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M376 R382 L383 T384 | M376-A380 WeakPolarHBondContact O-CB 3.49Å; M376-A380 PolarHBondContact O-N 3.29Å; A380-R382 VanDerWaalsContact C-N 3.33Å; A380-R382 PolarHBondContact O-N 2.82Å; A380-L383 PolarHBondContact O-N 3.19Å; A380-L383 VanDerWaalsContact O-N 3.12Å; A380-T384 PolarHBondContact O-N 2.89Å; A380-T384 PolarHBondContact O-OG1 3.01Å; A380-T384 VanDerWaalsContact O-OG1 3.11Å |
| 381 | R | 60.2 | Low | 51.5 | Low | 140 Ų | 140 | 102.7 Ų | 102.7 | 53% | 0.528 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.5 | -40.5 | 175.5 | -175 | -179.9 | -75.8 | 139.7 | -6.9 | 112.3 | L377 N378 M385 | L377-R381 WeakPolarHBondContact O-CB 3.47Å; L377-R381 PolarHBondContact O-N 3.01Å; N378-R381 PolarHBondContact O-N 3.49Å; R381-M385 HydrophobicContact CG-CE 4.11Å; R381-M385 HydrophobicContact CG-SD 4.27Å; R381-M385 WeakPolarHBondContact O-CB 3.4Å; R381-M385 WeakPolarHBondContact O-CG 3.44Å; R381-M385 PolarHBondContact O-N 3.34Å |
| 382 | R | 56.9 | Low | 51.3 | Low | 149 Ų | 149 | 105.3 Ų | 105.3 | 56% | 0.562 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.4 | -39.4 | 173.8 | -76 | -179.9 | 74.9 | -174.8 | 2.6 | 112.3 | N378 M379 A380 A386 | N378-R382 WeakPolarHBondContact O-CB 3.4Å; N378-R382 WeakPolarHBondContact O-CG 3.27Å; N378-R382 PolarHBondContact O-N 3.05Å; M379-R382 PolarHBondContact O-N 3.15Å; A380-R382 VanDerWaalsContact C-N 3.33Å; A380-R382 PolarHBondContact O-N 2.82Å; R382-A386 WeakPolarHBondContact O-CB 3.42Å; R382-A386 PolarHBondContact O-N 2.9Å |
| 383 | L | 58.8 | Low | 50.7 | Low | 119 Ų | 119 | 100.3 Ų | 100.3 | 62% | 0.623 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.3 | -43.9 | 176.2 | -71.2 | 167.4 | 0 | 0 | 0 | 112 | M379 A380 A386 S387 | M379-L383 HydrophobicContact CG-CD1 4.35Å; M379-L383 WeakPolarHBondContact O-CG 3.48Å; M379-L383 PolarHBondContact O-N 3.01Å; A380-L383 PolarHBondContact O-N 3.19Å; A380-L383 VanDerWaalsContact O-N 3.12Å; L383-A386 PolarHBondContact O-N 3.35Å; L383-S387 PolarHBondContact O-N 3.14Å; L383-S387 VanDerWaalsContact O-N 3.12Å |
| 384 | T | 61 | Low | 50 | Low | 97 Ų | 97 | 100 Ų | 100 | 60% | 0.595 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.6 | -51 | 174.6 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | A380 A386 S387 S388 | A380-T384 PolarHBondContact O-N 2.89Å; A380-T384 PolarHBondContact O-OG1 3.01Å; A380-T384 VanDerWaalsContact O-OG1 3.11Å; T384-A386 PolarHBondContact O-N 3.04Å; T384-S387 WeakPolarHBondContact O-CB 3.42Å; T384-S387 PolarHBondContact O-N 2.87Å; T384-S388 PolarHBondContact O-N 3.34Å; T384-S388 PolarHBondContact O-OG 2.74Å |
| 385 | M | 49.6 | Very low | 49.3 | Very low | 112 Ų | 112 | 103 Ų | 103 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.4 | -31.3 | -178.9 | -64.7 | -170.7 | -46.6 | 0 | 0 | 113.1 | R381 S387 S388 A389 | R381-M385 HydrophobicContact CG-CE 4.11Å; R381-M385 HydrophobicContact CG-SD 4.27Å; R381-M385 WeakPolarHBondContact O-CB 3.4Å; R381-M385 WeakPolarHBondContact O-CG 3.44Å; R381-M385 PolarHBondContact O-N 3.34Å; M385-S387 VanDerWaalsContact C-N 3.29Å; M385-S387 PolarHBondContact O-N 3.32Å; M385-S388 WeakPolarHBondContact O-CB 3.44Å; M385-S388 PolarHBondContact O-N 3.3Å; M385-S388 VanDerWaalsContact O-N 3.08Å; M385-A389 WeakPolarHBondContact O-CB 3.36Å; M385-A389 PolarHBondContact O-N 3.46Å |
| 386 | A | 48.3 | Very low | 48.3 | Very low | 51 Ų | 51 | 106 Ų | 106 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.4 | -38.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | R382 L383 T384 S388 A389 I390 | R382-A386 WeakPolarHBondContact O-CB 3.42Å; R382-A386 PolarHBondContact O-N 2.9Å; L383-A386 PolarHBondContact O-N 3.35Å; T384-A386 PolarHBondContact O-N 3.04Å; A386-S388 PolarHBondContact O-N 3.34Å; A386-A389 PolarHBondContact O-N 3.2Å; A386-I390 WeakPolarHBondContact O-CD1 3.38Å; A386-I390 WeakPolarHBondContact O-CG1 3.08Å |
| 387 | S | 43.4 | Very low | 47.6 | Very low | 96 Ų | 96 | 108.3 Ų | 108.3 | 67% | 0.671 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.1 | -18.3 | 173.6 | -166 | 0 | 0 | 0 | 0 | 113.6 | L383 T384 M385 | L383-S387 PolarHBondContact O-N 3.14Å; L383-S387 VanDerWaalsContact O-N 3.12Å; T384-S387 WeakPolarHBondContact O-CB 3.42Å; T384-S387 PolarHBondContact O-N 2.87Å; M385-S387 VanDerWaalsContact C-N 3.29Å; M385-S387 PolarHBondContact O-N 3.32Å |
| 388 | S | 44 | Very low | 46.4 | Very low | 73 Ų | 73 | 109.2 Ų | 109.2 | 51% | 0.51 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -89.6 | -38.3 | 173.6 | -48.4 | 0 | 0 | 0 | 0 | 112.4 | T384 M385 A386 I390 A391 | T384-S388 PolarHBondContact O-N 3.34Å; T384-S388 PolarHBondContact O-OG 2.74Å; M385-S388 WeakPolarHBondContact O-CB 3.44Å; M385-S388 PolarHBondContact O-N 3.3Å; M385-S388 VanDerWaalsContact O-N 3.08Å; A386-S388 PolarHBondContact O-N 3.34Å; S388-I390 VanDerWaalsContact C-N 3.29Å; S388-I390 PolarHBondContact O-N 3.06Å; S388-A391 PolarHBondContact O-N 3.34Å |
| 389 | A | 44.2 | Very low | 45.6 | Very low | 71 Ų | 71 | 115 Ų | 115 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.9 | -21.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M385 A386 A391 | M385-A389 WeakPolarHBondContact O-CB 3.36Å; M385-A389 PolarHBondContact O-N 3.46Å; A386-A389 PolarHBondContact O-N 3.2Å; A389-A391 PolarHBondContact O-N 3.27Å |
| 390 | I | 45 | Very low | 44.7 | Very low | 147 Ų | 147 | 120.7 Ų | 120.7 | 75% | 0.754 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -67.3 | -17.7 | 176.7 | -67.9 | 164.6 | 0 | 0 | 0 | 111.9 | A386 S388 | A386-I390 WeakPolarHBondContact O-CD1 3.38Å; A386-I390 WeakPolarHBondContact O-CG1 3.08Å; S388-I390 VanDerWaalsContact C-N 3.29Å; S388-I390 PolarHBondContact O-N 3.06Å |
| 391 | A | 42.1 | Very low | 43.5 | Very low | 86 Ų | 86 | 121.4 Ų | 121.4 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -88 | 2.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | S388 A389 | S388-A391 PolarHBondContact O-N 3.34Å; A389-A391 PolarHBondContact O-N 3.27Å |
| 392 | L | 37.6 | Very low | 42.3 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 84% | 0.843 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -115 | 16 | -174 | -98.2 | 76.9 | 0 | 0 | 0 | 114.3 | ||
| 393 | G | 35.8 | Very low | 41.2 | Very low | 69 Ų | 69 | 119.4 Ų | 119.4 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -102.2 | -6.9 | -161.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 394 | S | 37.5 | Very low | 39.9 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | trans | -170.6 | 103.6 | 173.1 | 53.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 395 | T | 37.1 | Very low | 38.7 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 81% | 0.81 | 69% | 0.688 | S | S | * | * | 62 | 103.5 | 73.8 | 69.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 396 | D | 34.7 | Very low | 38 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | trans | 76.5 | 140 | 144.4 | -142.8 | 24.5 | 0 | 0 | 0 | 120.2 | ||||
| 397 | R | 36.7 | Very low | 37.2 | Very low | 189 Ų | 189 | 127.5 Ų | 127.5 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | trans | 76.4 | 90.8 | 159 | -47.2 | -142.7 | 171.5 | -124.3 | -8.8 | 122.2 | ||||
| 398 | D | 36.2 | Very low | 36.5 | Very low | 116 Ų | 116 | 126 Ų | 126 | 62% | 0.62 | 71% | 0.708 | S | S | * | * | 81.3 | 153.1 | 114.9 | -52.1 | -28.2 | 0 | 0 | 0 | 121.6 | |||||
| 399 | Y | 39.6 | Very low | 35.9 | Very low | 212 Ų | 212 | 128.2 Ų | 128.2 | 83% | 0.831 | 72% | 0.723 | S | S | * | * | trans | 60.8 | 71.5 | 171.3 | -68.5 | -77.3 | 0 | 0 | 0 | 119.7 | ||||
| 400 | Y | 33.3 | Very low | 35.7 | Very low | 234 Ų | 234 | 136.7 Ų | 136.7 | 92% | 0.918 | 74% | 0.74 | S | S | * | * | 27.6 | 114.8 | 122.5 | -77.6 | -93.7 | 0 | 0 | 0 | 118.5 | |||||
| 401 | G | 31.5 | Very low | 35 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | trans | 177.4 | -32 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 402 | H | 34.5 | Very low | 34.7 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -122.9 | 136.2 | -162.5 | -83.1 | -89.1 | 0 | 0 | 0 | 116.6 | ||
| 403 | S | 33.8 | Very low | 34.4 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 50% | 0.497 | 74% | 0.739 | S | S | . | * | trans | 48.7 | 79.7 | 146.3 | -52.7 | 0 | 0 | 0 | 0 | 117.5 | W405 | S403-W405 VanDerWaalsContact C-N 3.28Å; S403-W405 PolarHBondContact O-N 2.91Å | ||
| 404 | S | 31.5 | Very low | 34.2 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | trans | -75.1 | 69.4 | 172.1 | 63.6 | 0 | 0 | 0 | 0 | 113.4 | L406 T407 | S404-L406 PolarHBondContact O-N 2.86Å; S404-T407 PolarHBondContact O-N 3.13Å; S404-T407 PolarHBondContact OG-O 3.2Å | ||
| 405 | W | 37.3 | Very low | 34.1 | Very low | 217 Ų | 217 | 142.7 Ų | 142.7 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 1.7 | 174.1 | 53.1 | -86.7 | 0 | 0 | 0 | 114.4 | S403 | S403-W405 VanDerWaalsContact C-N 3.28Å; S403-W405 PolarHBondContact O-N 2.91Å |
| 406 | L | 33.6 | Very low | 34.1 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | -7.7 | -176.2 | -74.9 | 162.1 | 0 | 0 | 0 | 114.6 | S404 | S404-L406 PolarHBondContact O-N 2.86Š|
| 407 | T | 32.5 | Very low | 34.1 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | trans | -143.2 | 144.5 | 179 | 52 | 0 | 0 | 0 | 0 | 111.9 | S404 | S404-T407 PolarHBondContact O-N 3.13Å; S404-T407 PolarHBondContact OG-O 3.2Å | ||
| 408 | G | 28.3 | Very low | 34.1 | Very low | 66 Ų | 66 | 147.3 Ų | 147.3 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | trans | 112.3 | 82.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | R410 | G408-R410 PolarHBondContact O-N 3.49Å; G408-R410 VanDerWaalsContact O-N 3.13Å | ||
| 409 | S | 31.3 | Very low | 34.3 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | 32.9 | 70.1 | 120.1 | 63.1 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 410 | R | 39.1 | Very low | 34.3 | Very low | 248 Ų | 248 | 142.1 Ų | 142.1 | 94% | 0.936 | 74% | 0.744 | S | S | * | * | trans | -167 | 136.8 | 138.1 | -104.9 | 151.7 | -162.1 | -133.1 | 1.3 | 112.2 | G408 | G408-R410 PolarHBondContact O-N 3.49Å; G408-R410 VanDerWaalsContact O-N 3.13Å | ||
| 411 | V | 31.4 | Very low | 34.3 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | trans | -81.9 | 118.9 | -178.8 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | H413 | V411-H413 WeakPolarHBondContact CG1-ND1 3.5Š| ||
| 412 | R | 36.1 | Very low | 34.6 | Very low | 203 Ų | 203 | 143.7 Ų | 143.7 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | trans | -129.8 | 131.3 | 153.8 | -79.9 | -169.9 | 162.6 | -169.5 | -7.6 | 109.8 | E322 G414 | E322-R412 IonicContact OE2-CZ 2.89Å; E322-R412 IonicContact OE2-NH1 3.74Å; E322-R412 PolarHBondContact OE2-NH1 3.18Å; R412-G414 PolarHBondContact O-N 2.97Å | ||
| 413 | H | 30.8 | Very low | 35 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -83 | 100.1 | -175.7 | -85.9 | 40.4 | 0 | 0 | 0 | 110.8 | V411 | V411-H413 WeakPolarHBondContact CG1-ND1 3.5Š| ||
| 414 | G | 32 | Very low | 35.5 | Very low | 59 Ų | 59 | 146.6 Ų | 146.6 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | trans | -130.6 | 70 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R412 R416 | R412-G414 PolarHBondContact O-N 2.97Å; G414-R416 PolarHBondContact O-N 2.79Å | ||
| 415 | V | 35.4 | Very low | 35.8 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | 49.1 | 22.5 | 162.5 | -152.8 | 0 | 0 | 0 | 0 | 118 | R417 | V415-R417 VanDerWaalsContact C-N 3.26Å; V415-R417 PolarHBondContact O-N 3.21Å | ||
| 416 | R | 36.2 | Very low | 35.6 | Very low | 249 Ų | 249 | 137 Ų | 137 | 94% | 0.94 | 73% | 0.728 | S | S | * | * | trans | -73.4 | 77.2 | 161.8 | -72.2 | -170.6 | 176 | -166.4 | 0.3 | 110.4 | G414 | G414-R416 PolarHBondContact O-N 2.79Š| ||
| 417 | R | 34.9 | Very low | 35.8 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | trans | -135.7 | 10 | -175.8 | -78.3 | -164.8 | 177.2 | -170.5 | 1 | 116.9 | V415 L419 A420 | V415-R417 VanDerWaalsContact C-N 3.26Å; V415-R417 PolarHBondContact O-N 3.21Å; R417-L419 VanDerWaalsContact C-N 3.27Å; R417-L419 PolarHBondContact O-N 3.26Å; R417-A420 HydrophobicContact CG-CB 4.44Å | ||
| 418 | S | 36.5 | Very low | 36 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -16.9 | 177.9 | 48.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 419 | L | 40 | Very low | 36.5 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 90% | 0.901 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.9 | 41.5 | 173.7 | -87.1 | 119.4 | 0 | 0 | 0 | 112.2 | R417 W421 | R417-L419 VanDerWaalsContact C-N 3.27Å; R417-L419 PolarHBondContact O-N 3.26Å; L419-W421 PolarHBondContact O-N 3.25Å |
| 420 | A | 39.7 | Very low | 36.9 | Very low | 47 Ų | 47 | 148.8 Ų | 148.8 | 39% | 0.388 | 73% | 0.728 | S | S | . | * | trans | -85.9 | 99.5 | 169 | 0 | 0 | 0 | 0 | 0 | 110.1 | R417 N422 | R417-A420 HydrophobicContact CG-CB 4.44Å; A420-N422 PolarHBondContact O-N 3.41Å | ||
| 421 | W | 34.7 | Very low | 36.9 | Very low | 250 Ų | 250 | 145.1 Ų | 145.1 | 95% | 0.947 | 72% | 0.722 | S | S | * | * | trans | -60.2 | 121.1 | 158.9 | -95.7 | 19.3 | 0 | 0 | 0 | 108.3 | L419 | L419-W421 PolarHBondContact O-N 3.25Š| ||
| 422 | N | 37.1 | Very low | 37.4 | Very low | 81 Ų | 81 | 146.3 Ų | 146.3 | 43% | 0.433 | 72% | 0.719 | S | S | . | * | trans | -114.8 | 147.1 | 166 | 63.2 | -10.6 | 0 | 0 | 0 | 109.6 | A420 S424 G425 A426 | A420-N422 PolarHBondContact O-N 3.41Å; N422-S424 PolarHBondContact ND2-OG 2.96Å; N422-S424 PolarHBondContact O-N 3.32Å; N422-G425 PolarHBondContact O-N 3.39Å; N422-A426 PolarHBondContact OD1-N 3.29Å | ||
| 423 | E | 43.5 | Very low | 37.6 | Very low | 212 Ų | 212 | 142 Ų | 142 | 99% | 0.991 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -11.2 | -171.3 | -62 | 169.6 | 126.4 | 0 | 0 | 113.4 | ||
| 424 | S | 44.1 | Very low | 37.9 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 2.1 | 173 | 55 | 0 | 0 | 0 | 0 | 115 | N422 A426 | N422-S424 PolarHBondContact ND2-OG 2.96Å; N422-S424 PolarHBondContact O-N 3.32Å; S424-A426 PolarHBondContact O-N 3.49Å |
| 425 | G | 36.7 | Very low | 38.1 | Very low | 47 Ų | 47 | 149.4 Ų | 149.4 | 49% | 0.485 | 74% | 0.737 | S | S | . | * | trans | 66 | 30.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N422 T427 | N422-G425 PolarHBondContact O-N 3.39Å; G425-T427 VanDerWaalsContact C-N 3.33Å; G425-T427 PolarHBondContact O-N 3.3Å | ||
| 426 | A | 33.6 | Very low | 38.3 | Very low | 56 Ų | 56 | 149.9 Ų | 149.9 | 46% | 0.463 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -9.1 | -163 | 0 | 0 | 0 | 0 | 0 | 115.9 | N422 S424 R428 | N422-A426 PolarHBondContact OD1-N 3.29Å; S424-A426 PolarHBondContact O-N 3.49Å; A426-R428 PolarHBondContact O-N 2.93Å |
| 427 | T | 38.4 | Very low | 38.4 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | 15.7 | -174.8 | 47.4 | 0 | 0 | 0 | 0 | 115.4 | G425 F429 | G425-T427 VanDerWaalsContact C-N 3.33Å; G425-T427 PolarHBondContact O-N 3.3Å; T427-F429 PolarHBondContact O-N 3.35Å; T427-F429 VanDerWaalsContact O-N 3.09Å |
| 428 | R | 37.1 | Very low | 38.6 | Very low | 207 Ų | 207 | 142.6 Ų | 142.6 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -0.2 | 177.6 | -87.2 | -171.3 | 165.1 | -158.2 | -4.2 | 116.4 | A426 | A426-R428 PolarHBondContact O-N 2.93Š|
| 429 | F | 38.1 | Very low | 38.7 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 77% | 0.768 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -10.7 | -175.3 | -83.6 | -84.7 | 0 | 0 | 0 | 115.6 | T427 | T427-F429 PolarHBondContact O-N 3.35Å; T427-F429 VanDerWaalsContact O-N 3.09Å |
| 430 | Y | 40.4 | Very low | 38.6 | Very low | 205 Ų | 205 | 142.3 Ų | 142.3 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -90.4 | -14.3 | 179.3 | -76 | -77.6 | 0 | 0 | 0 | 115.1 | ||
| 431 | E | 39.2 | Very low | 38.5 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -89.1 | -18.4 | 178.7 | -89.1 | -176.2 | 145 | 0 | 0 | 114.6 | ||
| 432 | H | 40.1 | Very low | 38.8 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 11 | -167.4 | -155.6 | -69.4 | 0 | 0 | 0 | 114.7 | ||
| 433 | C | 40.3 | Very low | 38.9 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 5.9 | 178.7 | -70.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 434 | Y | 37.3 | Very low | 38.6 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 76% | 0.757 | 71% | 0.71 | S | S | * | * | trans | -120.5 | 78.9 | 176.4 | -73.4 | -85.3 | 0 | 0 | 0 | 110.4 | ||||
| 435 | D | 37.4 | Very low | 38 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 99% | 0.989 | 71% | 0.713 | S | S | * | * | trans | -154.8 | 0 | 178.2 | -169 | 48.2 | 0 | 0 | 0 | 111.4 | K191 | K191-D435 WeakPolarHBondContact CE-OD2 3.45Å; K191-D435 IonicContact NZ-OD2 3.9Å; K191-D435 PolarHBondContact NZ-OD2 2.86Å |
Retrieved 435 of 435 residues in 317.1 ms
(Link to these results)